USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 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 Set 1.1: A 6 SER OG : rot 14:sc= 0.401 USER MOD Set 1.2: A 9 GLN : amide:sc= -1.95 K(o=-1.5,f=-4.3!) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.00663 (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 11 THR OG1 : rot 180:sc=-0.00865 USER MOD Single : A 14 GLN : amide:sc= -0.576 K(o=-0.58,f=-5.1!) USER MOD Single : A 18 HIS : no HD1:sc= 0.351 K(o=0.35,f=-2.2!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 57:sc= 0.418 USER MOD Single : A 27 MET CE :methyl 142:sc= -3.78! (180deg=-6.72!) USER MOD Single : A 30 HIS : no HD1:sc= -0.458 K(o=-0.46,f=0.096) USER MOD Single : A 32 ASN : amide:sc= -0.196 K(o=-0.2,f=-2.2) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 45 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00534) USER MOD Single : A 46 SER OG : rot 140:sc= -0.0862 USER MOD Single : A 53 ASN : amide:sc= -1.54 K(o=-1.5,f=-5.7!) 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= -0.132 K(o=-0.13,f=-1.6!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -121:sc= -3.23 (180deg=-12.8!) 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 117:sc= 0.632 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.718 15.344 24.557 1.00 0.00 N ATOM 2 CA GLY A 1 -12.350 14.255 23.672 1.00 0.00 C ATOM 3 C GLY A 1 -10.896 14.319 23.247 1.00 0.00 C ATOM 4 O GLY A 1 -10.374 15.395 22.956 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.653 15.710 24.287 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.751 14.999 25.537 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.014 16.106 24.482 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.538 13.305 24.173 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.985 14.280 22.787 1.00 0.00 H new ATOM 8 N SER A 2 -10.240 13.164 23.213 1.00 0.00 N ATOM 9 CA SER A 2 -8.836 13.093 22.826 1.00 0.00 C ATOM 10 C SER A 2 -8.551 11.814 22.045 1.00 0.00 C ATOM 11 O SER A 2 -8.874 10.714 22.494 1.00 0.00 O ATOM 12 CB SER A 2 -7.940 13.159 24.064 1.00 0.00 C ATOM 13 OG SER A 2 -6.674 13.713 23.749 1.00 0.00 O ATOM 0 H SER A 2 -10.658 12.264 23.449 1.00 0.00 H new ATOM 0 HA SER A 2 -8.619 13.946 22.183 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.422 13.761 24.834 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.810 12.158 24.476 1.00 0.00 H new ATOM 0 HG SER A 2 -6.121 13.746 24.557 1.00 0.00 H new ATOM 19 N SER A 3 -7.944 11.967 20.872 1.00 0.00 N ATOM 20 CA SER A 3 -7.618 10.825 20.025 1.00 0.00 C ATOM 21 C SER A 3 -6.110 10.702 19.836 1.00 0.00 C ATOM 22 O SER A 3 -5.353 11.606 20.187 1.00 0.00 O ATOM 23 CB SER A 3 -8.305 10.960 18.665 1.00 0.00 C ATOM 24 OG SER A 3 -8.521 9.690 18.075 1.00 0.00 O ATOM 0 H SER A 3 -7.668 12.870 20.487 1.00 0.00 H new ATOM 0 HA SER A 3 -7.979 9.923 20.519 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.258 11.476 18.785 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.692 11.572 18.004 1.00 0.00 H new ATOM 0 HG SER A 3 -8.963 9.803 17.208 1.00 0.00 H new ATOM 30 N GLY A 4 -5.679 9.575 19.277 1.00 0.00 N ATOM 31 CA GLY A 4 -4.263 9.353 19.050 1.00 0.00 C ATOM 32 C GLY A 4 -3.871 7.898 19.212 1.00 0.00 C ATOM 33 O GLY A 4 -3.697 7.416 20.331 1.00 0.00 O ATOM 0 H GLY A 4 -6.286 8.812 18.977 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.003 9.687 18.045 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.687 9.961 19.747 1.00 0.00 H new ATOM 37 N SER A 5 -3.735 7.195 18.092 1.00 0.00 N ATOM 38 CA SER A 5 -3.366 5.784 18.115 1.00 0.00 C ATOM 39 C SER A 5 -2.012 5.565 17.448 1.00 0.00 C ATOM 40 O SER A 5 -1.919 5.475 16.224 1.00 0.00 O ATOM 41 CB SER A 5 -4.436 4.945 17.413 1.00 0.00 C ATOM 42 OG SER A 5 -5.538 4.701 18.270 1.00 0.00 O ATOM 0 H SER A 5 -3.875 7.579 17.158 1.00 0.00 H new ATOM 0 HA SER A 5 -3.292 5.469 19.156 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.777 5.462 16.516 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.005 3.997 17.091 1.00 0.00 H new ATOM 0 HG SER A 5 -6.208 4.165 17.797 1.00 0.00 H new ATOM 48 N SER A 6 -0.965 5.480 18.262 1.00 0.00 N ATOM 49 CA SER A 6 0.386 5.276 17.751 1.00 0.00 C ATOM 50 C SER A 6 1.349 4.938 18.885 1.00 0.00 C ATOM 51 O SER A 6 1.256 5.490 19.980 1.00 0.00 O ATOM 52 CB SER A 6 0.868 6.525 17.011 1.00 0.00 C ATOM 53 OG SER A 6 2.078 6.271 16.319 1.00 0.00 O ATOM 0 H SER A 6 -1.026 5.549 19.278 1.00 0.00 H new ATOM 0 HA SER A 6 0.363 4.437 17.055 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.104 6.852 16.306 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.015 7.339 17.721 1.00 0.00 H new ATOM 0 HG SER A 6 2.236 5.305 16.280 1.00 0.00 H new ATOM 59 N GLY A 7 2.277 4.025 18.612 1.00 0.00 N ATOM 60 CA GLY A 7 3.245 3.628 19.618 1.00 0.00 C ATOM 61 C GLY A 7 4.673 3.894 19.184 1.00 0.00 C ATOM 62 O GLY A 7 5.272 4.895 19.577 1.00 0.00 O ATOM 0 H GLY A 7 2.375 3.554 17.713 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.044 4.166 20.544 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.126 2.566 19.834 1.00 0.00 H new ATOM 66 N ASP A 8 5.221 2.994 18.375 1.00 0.00 N ATOM 67 CA ASP A 8 6.589 3.136 17.888 1.00 0.00 C ATOM 68 C ASP A 8 6.652 2.931 16.378 1.00 0.00 C ATOM 69 O ASP A 8 6.902 1.824 15.903 1.00 0.00 O ATOM 70 CB ASP A 8 7.508 2.136 18.590 1.00 0.00 C ATOM 71 CG ASP A 8 7.108 0.698 18.327 1.00 0.00 C ATOM 72 OD1 ASP A 8 6.006 0.300 18.760 1.00 0.00 O ATOM 73 OD2 ASP A 8 7.896 -0.030 17.688 1.00 0.00 O ATOM 0 H ASP A 8 4.739 2.159 18.042 1.00 0.00 H new ATOM 0 HA ASP A 8 6.926 4.148 18.113 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.533 2.292 18.255 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.492 2.324 19.664 1.00 0.00 H new ATOM 78 N GLN A 9 6.422 4.006 15.630 1.00 0.00 N ATOM 79 CA GLN A 9 6.452 3.943 14.173 1.00 0.00 C ATOM 80 C GLN A 9 7.677 4.665 13.622 1.00 0.00 C ATOM 81 O GLN A 9 7.662 5.882 13.438 1.00 0.00 O ATOM 82 CB GLN A 9 5.178 4.556 13.589 1.00 0.00 C ATOM 83 CG GLN A 9 3.982 3.618 13.622 1.00 0.00 C ATOM 84 CD GLN A 9 3.795 2.957 14.973 1.00 0.00 C ATOM 85 OE1 GLN A 9 3.175 3.523 15.874 1.00 0.00 O ATOM 86 NE2 GLN A 9 4.331 1.751 15.121 1.00 0.00 N ATOM 0 H GLN A 9 6.213 4.930 16.008 1.00 0.00 H new ATOM 0 HA GLN A 9 6.509 2.894 13.881 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.934 5.463 14.143 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.368 4.854 12.558 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.081 4.176 13.367 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.107 2.849 12.860 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.837 1.319 14.348 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.237 1.256 16.008 1.00 0.00 H new ATOM 95 N ASP A 10 8.736 3.907 13.360 1.00 0.00 N ATOM 96 CA ASP A 10 9.969 4.474 12.828 1.00 0.00 C ATOM 97 C ASP A 10 9.919 4.554 11.306 1.00 0.00 C ATOM 98 O ASP A 10 10.954 4.633 10.642 1.00 0.00 O ATOM 99 CB ASP A 10 11.172 3.638 13.268 1.00 0.00 C ATOM 100 CG ASP A 10 11.723 4.077 14.610 1.00 0.00 C ATOM 101 OD1 ASP A 10 11.778 5.300 14.858 1.00 0.00 O ATOM 102 OD2 ASP A 10 12.098 3.197 15.413 1.00 0.00 O ATOM 0 H ASP A 10 8.765 2.898 13.508 1.00 0.00 H new ATOM 0 HA ASP A 10 10.074 5.484 13.223 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.881 2.589 13.324 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.957 3.711 12.515 1.00 0.00 H new ATOM 107 N THR A 11 8.708 4.533 10.756 1.00 0.00 N ATOM 108 CA THR A 11 8.523 4.601 9.312 1.00 0.00 C ATOM 109 C THR A 11 7.293 5.427 8.954 1.00 0.00 C ATOM 110 O THR A 11 6.339 5.507 9.730 1.00 0.00 O ATOM 111 CB THR A 11 8.380 3.195 8.698 1.00 0.00 C ATOM 112 OG1 THR A 11 9.221 2.269 9.394 1.00 0.00 O ATOM 113 CG2 THR A 11 8.747 3.211 7.222 1.00 0.00 C ATOM 0 H THR A 11 7.841 4.469 11.290 1.00 0.00 H new ATOM 0 HA THR A 11 9.411 5.081 8.901 1.00 0.00 H new ATOM 0 HB THR A 11 7.340 2.883 8.795 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.123 1.378 8.999 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.639 2.208 6.809 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.086 3.895 6.690 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.779 3.541 7.107 1.00 0.00 H new ATOM 121 N LEU A 12 7.319 6.039 7.776 1.00 0.00 N ATOM 122 CA LEU A 12 6.205 6.859 7.314 1.00 0.00 C ATOM 123 C LEU A 12 5.100 5.991 6.720 1.00 0.00 C ATOM 124 O LEU A 12 3.923 6.350 6.765 1.00 0.00 O ATOM 125 CB LEU A 12 6.688 7.872 6.274 1.00 0.00 C ATOM 126 CG LEU A 12 6.718 7.384 4.825 1.00 0.00 C ATOM 127 CD1 LEU A 12 5.356 7.566 4.173 1.00 0.00 C ATOM 128 CD2 LEU A 12 7.792 8.120 4.037 1.00 0.00 C ATOM 0 H LEU A 12 8.100 5.983 7.122 1.00 0.00 H new ATOM 0 HA LEU A 12 5.800 7.394 8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.046 8.751 6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.692 8.194 6.549 1.00 0.00 H new ATOM 0 HG LEU A 12 6.959 6.321 4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.396 7.213 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.610 6.993 4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.085 8.622 4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.799 7.760 3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.581 9.189 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.766 7.938 4.492 1.00 0.00 H new ATOM 140 N VAL A 13 5.487 4.847 6.165 1.00 0.00 N ATOM 141 CA VAL A 13 4.529 3.926 5.565 1.00 0.00 C ATOM 142 C VAL A 13 3.178 4.004 6.267 1.00 0.00 C ATOM 143 O VAL A 13 3.066 3.698 7.454 1.00 0.00 O ATOM 144 CB VAL A 13 5.039 2.473 5.616 1.00 0.00 C ATOM 145 CG1 VAL A 13 3.940 1.507 5.202 1.00 0.00 C ATOM 146 CG2 VAL A 13 6.266 2.309 4.733 1.00 0.00 C ATOM 0 H VAL A 13 6.457 4.536 6.118 1.00 0.00 H new ATOM 0 HA VAL A 13 4.412 4.225 4.524 1.00 0.00 H new ATOM 0 HB VAL A 13 5.325 2.241 6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.318 0.486 5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.092 1.608 5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.620 1.734 4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.613 1.277 4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.009 2.558 3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.056 2.974 5.081 1.00 0.00 H new ATOM 156 N GLN A 14 2.154 4.414 5.525 1.00 0.00 N ATOM 157 CA GLN A 14 0.810 4.532 6.078 1.00 0.00 C ATOM 158 C GLN A 14 -0.022 3.296 5.753 1.00 0.00 C ATOM 159 O GLN A 14 0.425 2.407 5.028 1.00 0.00 O ATOM 160 CB GLN A 14 0.120 5.784 5.533 1.00 0.00 C ATOM 161 CG GLN A 14 0.952 7.048 5.675 1.00 0.00 C ATOM 162 CD GLN A 14 0.281 8.261 5.061 1.00 0.00 C ATOM 163 OE1 GLN A 14 -0.166 8.224 3.914 1.00 0.00 O ATOM 164 NE2 GLN A 14 0.205 9.346 5.824 1.00 0.00 N ATOM 0 H GLN A 14 2.229 4.670 4.540 1.00 0.00 H new ATOM 0 HA GLN A 14 0.895 4.615 7.161 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.115 5.630 4.480 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.828 5.922 6.054 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.140 7.238 6.732 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.922 6.895 5.201 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.589 9.333 6.769 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.237 10.192 5.465 1.00 0.00 H new ATOM 173 N ARG A 15 -1.235 3.247 6.294 1.00 0.00 N ATOM 174 CA ARG A 15 -2.129 2.119 6.063 1.00 0.00 C ATOM 175 C ARG A 15 -3.580 2.584 5.972 1.00 0.00 C ATOM 176 O ARG A 15 -4.110 3.184 6.906 1.00 0.00 O ATOM 177 CB ARG A 15 -1.984 1.087 7.184 1.00 0.00 C ATOM 178 CG ARG A 15 -0.787 0.166 7.012 1.00 0.00 C ATOM 179 CD ARG A 15 -0.556 -0.684 8.251 1.00 0.00 C ATOM 180 NE ARG A 15 0.855 -1.015 8.433 1.00 0.00 N ATOM 181 CZ ARG A 15 1.468 -1.999 7.786 1.00 0.00 C ATOM 182 NH1 ARG A 15 0.799 -2.744 6.917 1.00 0.00 N ATOM 183 NH2 ARG A 15 2.755 -2.238 8.005 1.00 0.00 N ATOM 0 H ARG A 15 -1.621 3.975 6.895 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.852 1.658 5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.897 1.608 8.137 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.891 0.485 7.232 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.946 -0.481 6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.104 0.760 6.805 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.919 -0.151 9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.137 -1.603 8.173 1.00 0.00 H new ATOM 0 HE ARG A 15 1.399 -0.460 9.093 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.190 -2.562 6.744 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.273 -3.499 6.422 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.274 -1.665 8.671 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.225 -2.994 7.507 1.00 0.00 H new ATOM 197 N ALA A 16 -4.215 2.305 4.838 1.00 0.00 N ATOM 198 CA ALA A 16 -5.603 2.694 4.625 1.00 0.00 C ATOM 199 C ALA A 16 -6.541 1.896 5.524 1.00 0.00 C ATOM 200 O ALA A 16 -6.537 0.666 5.505 1.00 0.00 O ATOM 201 CB ALA A 16 -5.985 2.507 3.164 1.00 0.00 C ATOM 0 H ALA A 16 -3.790 1.811 4.053 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.703 3.748 4.884 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.024 2.801 3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.342 3.126 2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.862 1.460 2.887 1.00 0.00 H new ATOM 207 N GLU A 17 -7.343 2.605 6.313 1.00 0.00 N ATOM 208 CA GLU A 17 -8.285 1.962 7.221 1.00 0.00 C ATOM 209 C GLU A 17 -9.394 1.257 6.445 1.00 0.00 C ATOM 210 O GLU A 17 -10.090 1.874 5.636 1.00 0.00 O ATOM 211 CB GLU A 17 -8.891 2.991 8.177 1.00 0.00 C ATOM 212 CG GLU A 17 -9.262 2.418 9.534 1.00 0.00 C ATOM 213 CD GLU A 17 -8.048 2.131 10.397 1.00 0.00 C ATOM 214 OE1 GLU A 17 -7.500 1.014 10.299 1.00 0.00 O ATOM 215 OE2 GLU A 17 -7.647 3.026 11.171 1.00 0.00 O ATOM 0 H GLU A 17 -7.359 3.624 6.341 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.740 1.217 7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.181 3.806 8.318 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.781 3.421 7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.915 3.119 10.054 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.829 1.498 9.393 1.00 0.00 H new ATOM 222 N HIS A 18 -9.554 -0.038 6.695 1.00 0.00 N ATOM 223 CA HIS A 18 -10.578 -0.827 6.021 1.00 0.00 C ATOM 224 C HIS A 18 -11.971 -0.435 6.503 1.00 0.00 C ATOM 225 O HIS A 18 -12.283 -0.548 7.689 1.00 0.00 O ATOM 226 CB HIS A 18 -10.344 -2.319 6.262 1.00 0.00 C ATOM 227 CG HIS A 18 -9.265 -2.902 5.402 1.00 0.00 C ATOM 228 ND1 HIS A 18 -9.476 -3.961 4.544 1.00 0.00 N ATOM 229 CD2 HIS A 18 -7.960 -2.567 5.270 1.00 0.00 C ATOM 230 CE1 HIS A 18 -8.347 -4.253 3.923 1.00 0.00 C ATOM 231 NE2 HIS A 18 -7.412 -3.422 4.345 1.00 0.00 N ATOM 0 H HIS A 18 -8.987 -0.564 7.360 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.512 -0.624 4.952 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.086 -2.473 7.310 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.274 -2.858 6.080 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.446 -1.775 5.794 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.212 -5.038 3.194 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.440 -3.416 4.035 1.00 0.00 H new ATOM 240 N ILE A 19 -12.804 0.028 5.576 1.00 0.00 N ATOM 241 CA ILE A 19 -14.164 0.436 5.908 1.00 0.00 C ATOM 242 C ILE A 19 -15.189 -0.493 5.267 1.00 0.00 C ATOM 243 O ILE A 19 -15.205 -0.699 4.053 1.00 0.00 O ATOM 244 CB ILE A 19 -14.443 1.881 5.453 1.00 0.00 C ATOM 245 CG1 ILE A 19 -13.423 2.840 6.071 1.00 0.00 C ATOM 246 CG2 ILE A 19 -15.859 2.290 5.831 1.00 0.00 C ATOM 247 CD1 ILE A 19 -13.475 2.885 7.583 1.00 0.00 C ATOM 0 H ILE A 19 -12.561 0.130 4.591 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.255 0.380 6.993 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.348 1.930 4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.422 2.543 5.759 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.595 3.843 5.680 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.042 3.313 5.503 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -16.572 1.621 5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -15.979 2.229 6.913 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.725 3.585 7.952 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.465 3.211 7.903 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.273 1.892 7.984 1.00 0.00 H new ATOM 259 N PRO A 20 -16.067 -1.069 6.101 1.00 0.00 N ATOM 260 CA PRO A 20 -17.114 -1.985 5.639 1.00 0.00 C ATOM 261 C PRO A 20 -18.196 -1.271 4.835 1.00 0.00 C ATOM 262 O PRO A 20 -18.310 -0.047 4.881 1.00 0.00 O ATOM 263 CB PRO A 20 -17.696 -2.545 6.939 1.00 0.00 C ATOM 264 CG PRO A 20 -17.412 -1.499 7.962 1.00 0.00 C ATOM 265 CD PRO A 20 -16.107 -0.870 7.560 1.00 0.00 C ATOM 0 HA PRO A 20 -16.720 -2.749 4.969 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.766 -2.729 6.847 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.231 -3.495 7.204 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.210 -0.757 7.993 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.344 -1.936 8.958 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.073 0.187 7.822 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.261 -1.348 8.054 1.00 0.00 H new ATOM 273 N ALA A 21 -18.988 -2.044 4.100 1.00 0.00 N ATOM 274 CA ALA A 21 -20.062 -1.485 3.288 1.00 0.00 C ATOM 275 C ALA A 21 -21.164 -0.898 4.165 1.00 0.00 C ATOM 276 O ALA A 21 -21.268 -1.221 5.347 1.00 0.00 O ATOM 277 CB ALA A 21 -20.632 -2.549 2.362 1.00 0.00 C ATOM 0 H ALA A 21 -18.906 -3.059 4.050 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.646 -0.679 2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.433 -2.118 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.845 -2.919 1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -21.027 -3.374 2.955 1.00 0.00 H new ATOM 283 N GLY A 22 -21.984 -0.033 3.576 1.00 0.00 N ATOM 284 CA GLY A 22 -23.067 0.585 4.319 1.00 0.00 C ATOM 285 C GLY A 22 -22.581 1.677 5.251 1.00 0.00 C ATOM 286 O GLY A 22 -23.149 2.768 5.291 1.00 0.00 O ATOM 0 H GLY A 22 -21.918 0.251 2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -23.791 1.004 3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.588 -0.178 4.898 1.00 0.00 H new ATOM 290 N LYS A 23 -21.526 1.384 6.004 1.00 0.00 N ATOM 291 CA LYS A 23 -20.962 2.348 6.941 1.00 0.00 C ATOM 292 C LYS A 23 -20.957 3.751 6.341 1.00 0.00 C ATOM 293 O LYS A 23 -21.322 4.721 7.004 1.00 0.00 O ATOM 294 CB LYS A 23 -19.539 1.942 7.329 1.00 0.00 C ATOM 295 CG LYS A 23 -18.921 2.831 8.394 1.00 0.00 C ATOM 296 CD LYS A 23 -19.271 2.351 9.792 1.00 0.00 C ATOM 297 CE LYS A 23 -18.819 3.345 10.851 1.00 0.00 C ATOM 298 NZ LYS A 23 -18.903 2.771 12.223 1.00 0.00 N ATOM 0 H LYS A 23 -21.044 0.485 5.983 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.586 2.356 7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.549 0.913 7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.909 1.963 6.440 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.838 2.845 8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.270 3.855 8.262 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -20.348 2.201 9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -18.801 1.384 9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.793 3.651 10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -19.436 4.242 10.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.586 3.479 12.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.887 2.502 12.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.295 1.930 12.285 1.00 0.00 H new ATOM 312 N ARG A 24 -20.541 3.849 5.083 1.00 0.00 N ATOM 313 CA ARG A 24 -20.488 5.133 4.394 1.00 0.00 C ATOM 314 C ARG A 24 -20.175 4.943 2.913 1.00 0.00 C ATOM 315 O ARG A 24 -19.444 4.027 2.534 1.00 0.00 O ATOM 316 CB ARG A 24 -19.435 6.038 5.037 1.00 0.00 C ATOM 317 CG ARG A 24 -19.408 7.444 4.462 1.00 0.00 C ATOM 318 CD ARG A 24 -18.297 8.278 5.081 1.00 0.00 C ATOM 319 NE ARG A 24 -18.675 8.808 6.389 1.00 0.00 N ATOM 320 CZ ARG A 24 -18.179 9.930 6.898 1.00 0.00 C ATOM 321 NH1 ARG A 24 -17.291 10.637 6.213 1.00 0.00 N ATOM 322 NH2 ARG A 24 -18.572 10.348 8.095 1.00 0.00 N ATOM 0 H ARG A 24 -20.236 3.055 4.520 1.00 0.00 H new ATOM 0 HA ARG A 24 -21.466 5.605 4.483 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -19.624 6.096 6.109 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.452 5.584 4.911 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -19.268 7.394 3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -20.369 7.928 4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -17.399 7.668 5.183 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -18.048 9.103 4.414 1.00 0.00 H new ATOM 0 HE ARG A 24 -19.357 8.288 6.941 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -16.987 10.320 5.293 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -16.912 11.498 6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -19.256 9.807 8.625 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -18.190 11.210 8.485 1.00 0.00 H new ATOM 336 N THR A 25 -20.734 5.814 2.078 1.00 0.00 N ATOM 337 CA THR A 25 -20.516 5.741 0.639 1.00 0.00 C ATOM 338 C THR A 25 -19.845 7.008 0.120 1.00 0.00 C ATOM 339 O THR A 25 -20.462 7.835 -0.552 1.00 0.00 O ATOM 340 CB THR A 25 -21.840 5.527 -0.119 1.00 0.00 C ATOM 341 OG1 THR A 25 -22.770 6.562 0.217 1.00 0.00 O ATOM 342 CG2 THR A 25 -22.441 4.170 0.214 1.00 0.00 C ATOM 0 H THR A 25 -21.341 6.578 2.374 1.00 0.00 H new ATOM 0 HA THR A 25 -19.862 4.888 0.461 1.00 0.00 H new ATOM 0 HB THR A 25 -21.630 5.561 -1.188 1.00 0.00 H new ATOM 0 HG1 THR A 25 -22.375 7.435 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 25 -23.375 4.042 -0.333 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.743 3.383 -0.071 1.00 0.00 H new ATOM 0 HG23 THR A 25 -22.637 4.112 1.285 1.00 0.00 H new ATOM 350 N PRO A 26 -18.552 7.165 0.436 1.00 0.00 N ATOM 351 CA PRO A 26 -17.768 8.329 0.010 1.00 0.00 C ATOM 352 C PRO A 26 -17.502 8.331 -1.491 1.00 0.00 C ATOM 353 O PRO A 26 -17.871 7.392 -2.197 1.00 0.00 O ATOM 354 CB PRO A 26 -16.457 8.177 0.786 1.00 0.00 C ATOM 355 CG PRO A 26 -16.345 6.717 1.059 1.00 0.00 C ATOM 356 CD PRO A 26 -17.753 6.220 1.234 1.00 0.00 C ATOM 0 HA PRO A 26 -18.289 9.266 0.207 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -15.609 8.537 0.204 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.476 8.752 1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -15.849 6.203 0.236 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -15.751 6.532 1.954 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -17.865 5.197 0.875 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.053 6.225 2.282 1.00 0.00 H new ATOM 364 N MET A 27 -16.859 9.390 -1.972 1.00 0.00 N ATOM 365 CA MET A 27 -16.543 9.511 -3.391 1.00 0.00 C ATOM 366 C MET A 27 -15.069 9.211 -3.646 1.00 0.00 C ATOM 367 O MET A 27 -14.187 9.912 -3.150 1.00 0.00 O ATOM 368 CB MET A 27 -16.884 10.916 -3.893 1.00 0.00 C ATOM 369 CG MET A 27 -18.316 11.055 -4.382 1.00 0.00 C ATOM 370 SD MET A 27 -19.527 10.637 -3.114 1.00 0.00 S ATOM 371 CE MET A 27 -20.747 9.758 -4.087 1.00 0.00 C ATOM 0 H MET A 27 -16.547 10.176 -1.401 1.00 0.00 H new ATOM 0 HA MET A 27 -17.144 8.783 -3.936 1.00 0.00 H new ATOM 0 HB2 MET A 27 -16.712 11.632 -3.089 1.00 0.00 H new ATOM 0 HB3 MET A 27 -16.205 11.178 -4.704 1.00 0.00 H new ATOM 0 HG2 MET A 27 -18.484 12.079 -4.716 1.00 0.00 H new ATOM 0 HG3 MET A 27 -18.464 10.409 -5.248 1.00 0.00 H new ATOM 0 HE1 MET A 27 -21.139 8.921 -3.509 1.00 0.00 H new ATOM 0 HE2 MET A 27 -21.562 10.434 -4.345 1.00 0.00 H new ATOM 0 HE3 MET A 27 -20.283 9.383 -5.000 1.00 0.00 H new ATOM 381 N CYS A 28 -14.809 8.165 -4.423 1.00 0.00 N ATOM 382 CA CYS A 28 -13.443 7.771 -4.744 1.00 0.00 C ATOM 383 C CYS A 28 -12.604 8.985 -5.133 1.00 0.00 C ATOM 384 O CYS A 28 -13.133 10.074 -5.349 1.00 0.00 O ATOM 385 CB CYS A 28 -13.439 6.748 -5.883 1.00 0.00 C ATOM 386 SG CYS A 28 -11.884 5.811 -6.034 1.00 0.00 S ATOM 0 H CYS A 28 -15.527 7.575 -4.842 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.004 7.317 -3.856 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -14.260 6.047 -5.731 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -13.632 7.265 -6.823 1.00 0.00 H new ATOM 391 N ALA A 29 -11.293 8.787 -5.221 1.00 0.00 N ATOM 392 CA ALA A 29 -10.381 9.864 -5.586 1.00 0.00 C ATOM 393 C ALA A 29 -9.872 9.693 -7.013 1.00 0.00 C ATOM 394 O ALA A 29 -9.791 10.658 -7.774 1.00 0.00 O ATOM 395 CB ALA A 29 -9.214 9.920 -4.611 1.00 0.00 C ATOM 0 H ALA A 29 -10.839 7.891 -5.045 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.930 10.804 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.541 10.729 -4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.590 10.098 -3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.674 8.973 -4.635 1.00 0.00 H new ATOM 401 N HIS A 30 -9.531 8.459 -7.371 1.00 0.00 N ATOM 402 CA HIS A 30 -9.029 8.161 -8.708 1.00 0.00 C ATOM 403 C HIS A 30 -10.154 8.230 -9.737 1.00 0.00 C ATOM 404 O HIS A 30 -10.133 9.066 -10.640 1.00 0.00 O ATOM 405 CB HIS A 30 -8.380 6.777 -8.736 1.00 0.00 C ATOM 406 CG HIS A 30 -7.671 6.474 -10.020 1.00 0.00 C ATOM 407 ND1 HIS A 30 -6.334 6.740 -10.222 1.00 0.00 N ATOM 408 CD2 HIS A 30 -8.122 5.923 -11.171 1.00 0.00 C ATOM 409 CE1 HIS A 30 -5.992 6.367 -11.443 1.00 0.00 C ATOM 410 NE2 HIS A 30 -7.059 5.867 -12.039 1.00 0.00 N ATOM 0 H HIS A 30 -9.593 7.649 -6.754 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.279 8.910 -8.964 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.671 6.701 -7.912 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.147 6.021 -8.567 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.130 5.590 -11.370 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.008 6.456 -11.879 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.089 5.499 -12.990 1.00 0.00 H new ATOM 419 N CYS A 31 -11.134 7.344 -9.595 1.00 0.00 N ATOM 420 CA CYS A 31 -12.266 7.302 -10.512 1.00 0.00 C ATOM 421 C CYS A 31 -13.306 8.355 -10.141 1.00 0.00 C ATOM 422 O CYS A 31 -14.053 8.832 -10.994 1.00 0.00 O ATOM 423 CB CYS A 31 -12.906 5.912 -10.503 1.00 0.00 C ATOM 424 SG CYS A 31 -13.692 5.466 -8.922 1.00 0.00 S ATOM 0 H CYS A 31 -11.167 6.645 -8.853 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.897 7.518 -11.515 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.654 5.863 -11.295 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.143 5.171 -10.739 1.00 0.00 H new ATOM 429 N ASN A 32 -13.348 8.712 -8.861 1.00 0.00 N ATOM 430 CA ASN A 32 -14.296 9.708 -8.376 1.00 0.00 C ATOM 431 C ASN A 32 -15.733 9.231 -8.570 1.00 0.00 C ATOM 432 O ASN A 32 -16.583 9.976 -9.057 1.00 0.00 O ATOM 433 CB ASN A 32 -14.086 11.038 -9.101 1.00 0.00 C ATOM 434 CG ASN A 32 -12.631 11.465 -9.115 1.00 0.00 C ATOM 435 OD1 ASN A 32 -11.847 11.009 -9.948 1.00 0.00 O ATOM 436 ND2 ASN A 32 -12.264 12.346 -8.191 1.00 0.00 N ATOM 0 H ASN A 32 -12.737 8.326 -8.141 1.00 0.00 H new ATOM 0 HA ASN A 32 -14.120 9.852 -7.310 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.446 10.951 -10.126 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.684 11.811 -8.618 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -11.298 12.672 -8.152 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.948 12.697 -7.521 1.00 0.00 H new ATOM 443 N GLN A 33 -15.995 7.986 -8.185 1.00 0.00 N ATOM 444 CA GLN A 33 -17.328 7.411 -8.317 1.00 0.00 C ATOM 445 C GLN A 33 -17.826 6.879 -6.978 1.00 0.00 C ATOM 446 O GLN A 33 -17.092 6.210 -6.251 1.00 0.00 O ATOM 447 CB GLN A 33 -17.320 6.287 -9.355 1.00 0.00 C ATOM 448 CG GLN A 33 -16.798 6.718 -10.716 1.00 0.00 C ATOM 449 CD GLN A 33 -17.029 5.672 -11.788 1.00 0.00 C ATOM 450 OE1 GLN A 33 -16.182 4.809 -12.023 1.00 0.00 O ATOM 451 NE2 GLN A 33 -18.181 5.742 -12.445 1.00 0.00 N ATOM 0 H GLN A 33 -15.302 7.357 -7.779 1.00 0.00 H new ATOM 0 HA GLN A 33 -18.005 8.198 -8.649 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.707 5.466 -8.984 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -18.333 5.902 -9.469 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -17.285 7.648 -11.010 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -15.731 6.927 -10.642 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.854 6.474 -12.218 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.393 5.064 -13.177 1.00 0.00 H new ATOM 460 N VAL A 34 -19.080 7.182 -6.656 1.00 0.00 N ATOM 461 CA VAL A 34 -19.677 6.734 -5.404 1.00 0.00 C ATOM 462 C VAL A 34 -19.329 5.278 -5.118 1.00 0.00 C ATOM 463 O VAL A 34 -19.301 4.447 -6.027 1.00 0.00 O ATOM 464 CB VAL A 34 -21.210 6.889 -5.426 1.00 0.00 C ATOM 465 CG1 VAL A 34 -21.802 6.170 -6.628 1.00 0.00 C ATOM 466 CG2 VAL A 34 -21.816 6.370 -4.131 1.00 0.00 C ATOM 0 H VAL A 34 -19.702 7.736 -7.245 1.00 0.00 H new ATOM 0 HA VAL A 34 -19.266 7.364 -4.615 1.00 0.00 H new ATOM 0 HB VAL A 34 -21.450 7.949 -5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -22.885 6.290 -6.627 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -21.391 6.594 -7.544 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -21.555 5.110 -6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -22.899 6.487 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -21.569 5.315 -4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -21.415 6.935 -3.290 1.00 0.00 H new ATOM 476 N ILE A 35 -19.064 4.976 -3.852 1.00 0.00 N ATOM 477 CA ILE A 35 -18.719 3.619 -3.447 1.00 0.00 C ATOM 478 C ILE A 35 -19.851 2.978 -2.651 1.00 0.00 C ATOM 479 O ILE A 35 -20.165 3.410 -1.542 1.00 0.00 O ATOM 480 CB ILE A 35 -17.433 3.594 -2.600 1.00 0.00 C ATOM 481 CG1 ILE A 35 -16.354 4.465 -3.247 1.00 0.00 C ATOM 482 CG2 ILE A 35 -16.937 2.165 -2.432 1.00 0.00 C ATOM 483 CD1 ILE A 35 -15.418 5.108 -2.248 1.00 0.00 C ATOM 0 H ILE A 35 -19.082 5.653 -3.089 1.00 0.00 H new ATOM 0 HA ILE A 35 -18.553 3.050 -4.362 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.657 3.999 -1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.772 3.855 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.834 5.245 -3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -16.028 2.164 -1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.702 1.571 -1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.725 1.736 -3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.679 5.710 -2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.989 5.745 -1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.910 4.333 -1.674 1.00 0.00 H new ATOM 495 N ARG A 36 -20.459 1.944 -3.224 1.00 0.00 N ATOM 496 CA ARG A 36 -21.555 1.243 -2.567 1.00 0.00 C ATOM 497 C ARG A 36 -21.026 0.250 -1.536 1.00 0.00 C ATOM 498 O ARG A 36 -21.500 0.205 -0.402 1.00 0.00 O ATOM 499 CB ARG A 36 -22.413 0.512 -3.601 1.00 0.00 C ATOM 500 CG ARG A 36 -23.387 1.420 -4.335 1.00 0.00 C ATOM 501 CD ARG A 36 -24.623 0.659 -4.790 1.00 0.00 C ATOM 502 NE ARG A 36 -24.304 -0.350 -5.798 1.00 0.00 N ATOM 503 CZ ARG A 36 -25.207 -0.890 -6.608 1.00 0.00 C ATOM 504 NH1 ARG A 36 -26.478 -0.519 -6.531 1.00 0.00 N ATOM 505 NH2 ARG A 36 -24.840 -1.802 -7.499 1.00 0.00 N ATOM 0 H ARG A 36 -20.211 1.574 -4.141 1.00 0.00 H new ATOM 0 HA ARG A 36 -22.169 1.982 -2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -21.759 0.031 -4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -22.972 -0.280 -3.102 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -23.684 2.241 -3.682 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -22.892 1.863 -5.199 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -25.090 0.178 -3.930 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -25.351 1.360 -5.197 1.00 0.00 H new ATOM 0 HE ARG A 36 -23.335 -0.656 -5.884 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -26.764 0.183 -5.848 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -27.170 -0.935 -7.155 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.863 -2.089 -7.562 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -25.535 -2.216 -8.121 1.00 0.00 H new ATOM 519 N GLY A 37 -20.040 -0.546 -1.941 1.00 0.00 N ATOM 520 CA GLY A 37 -19.464 -1.528 -1.041 1.00 0.00 C ATOM 521 C GLY A 37 -18.438 -0.923 -0.103 1.00 0.00 C ATOM 522 O GLY A 37 -18.427 0.283 0.144 1.00 0.00 O ATOM 0 H GLY A 37 -19.631 -0.528 -2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.259 -1.990 -0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -18.996 -2.321 -1.625 1.00 0.00 H new ATOM 526 N PRO A 38 -17.553 -1.772 0.439 1.00 0.00 N ATOM 527 CA PRO A 38 -16.503 -1.337 1.366 1.00 0.00 C ATOM 528 C PRO A 38 -15.429 -0.504 0.674 1.00 0.00 C ATOM 529 O PRO A 38 -14.962 -0.851 -0.411 1.00 0.00 O ATOM 530 CB PRO A 38 -15.912 -2.654 1.876 1.00 0.00 C ATOM 531 CG PRO A 38 -16.197 -3.640 0.797 1.00 0.00 C ATOM 532 CD PRO A 38 -17.508 -3.223 0.189 1.00 0.00 C ATOM 0 HA PRO A 38 -16.896 -0.696 2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.841 -2.564 2.057 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.370 -2.955 2.818 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.403 -3.641 0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.258 -4.651 1.199 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.547 -3.449 -0.877 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.349 -3.737 0.655 1.00 0.00 H new ATOM 540 N PHE A 39 -15.040 0.596 1.309 1.00 0.00 N ATOM 541 CA PHE A 39 -14.021 1.480 0.755 1.00 0.00 C ATOM 542 C PHE A 39 -12.850 1.634 1.722 1.00 0.00 C ATOM 543 O PHE A 39 -12.910 1.179 2.865 1.00 0.00 O ATOM 544 CB PHE A 39 -14.621 2.851 0.440 1.00 0.00 C ATOM 545 CG PHE A 39 -15.011 3.630 1.663 1.00 0.00 C ATOM 546 CD1 PHE A 39 -16.274 3.490 2.216 1.00 0.00 C ATOM 547 CD2 PHE A 39 -14.115 4.502 2.261 1.00 0.00 C ATOM 548 CE1 PHE A 39 -16.636 4.206 3.341 1.00 0.00 C ATOM 549 CE2 PHE A 39 -14.472 5.221 3.386 1.00 0.00 C ATOM 550 CZ PHE A 39 -15.733 5.072 3.928 1.00 0.00 C ATOM 0 H PHE A 39 -15.415 0.897 2.208 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.651 1.033 -0.168 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.899 3.431 -0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.499 2.718 -0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -16.983 2.814 1.763 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -13.126 4.621 1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -17.624 4.089 3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -13.765 5.899 3.841 1.00 0.00 H new ATOM 0 HZ PHE A 39 -16.013 5.631 4.809 1.00 0.00 H new ATOM 560 N LEU A 40 -11.786 2.278 1.255 1.00 0.00 N ATOM 561 CA LEU A 40 -10.600 2.492 2.077 1.00 0.00 C ATOM 562 C LEU A 40 -10.375 3.980 2.330 1.00 0.00 C ATOM 563 O LEU A 40 -10.871 4.828 1.589 1.00 0.00 O ATOM 564 CB LEU A 40 -9.370 1.886 1.400 1.00 0.00 C ATOM 565 CG LEU A 40 -9.572 0.525 0.733 1.00 0.00 C ATOM 566 CD1 LEU A 40 -8.410 0.207 -0.195 1.00 0.00 C ATOM 567 CD2 LEU A 40 -9.733 -0.564 1.784 1.00 0.00 C ATOM 0 H LEU A 40 -11.720 2.661 0.312 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.758 1.999 3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.012 2.588 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.581 1.789 2.146 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.484 0.565 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.572 -0.765 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.342 0.972 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.483 0.186 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.876 -1.526 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.839 -0.604 2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.600 -0.343 2.407 1.00 0.00 H new ATOM 579 N VAL A 41 -9.621 4.288 3.381 1.00 0.00 N ATOM 580 CA VAL A 41 -9.327 5.673 3.730 1.00 0.00 C ATOM 581 C VAL A 41 -7.939 5.801 4.346 1.00 0.00 C ATOM 582 O VAL A 41 -7.671 5.256 5.416 1.00 0.00 O ATOM 583 CB VAL A 41 -10.368 6.237 4.715 1.00 0.00 C ATOM 584 CG1 VAL A 41 -10.720 5.200 5.771 1.00 0.00 C ATOM 585 CG2 VAL A 41 -9.853 7.514 5.361 1.00 0.00 C ATOM 0 H VAL A 41 -9.203 3.598 4.005 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.365 6.248 2.805 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.275 6.478 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.457 5.616 6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.134 4.315 5.288 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.822 4.925 6.325 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.601 7.899 6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.932 7.301 5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.656 8.258 4.589 1.00 0.00 H new ATOM 595 N ALA A 42 -7.059 6.526 3.663 1.00 0.00 N ATOM 596 CA ALA A 42 -5.698 6.728 4.145 1.00 0.00 C ATOM 597 C ALA A 42 -5.300 8.198 4.063 1.00 0.00 C ATOM 598 O ALA A 42 -5.088 8.852 5.086 1.00 0.00 O ATOM 599 CB ALA A 42 -4.724 5.871 3.350 1.00 0.00 C ATOM 0 H ALA A 42 -7.264 6.983 2.775 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.661 6.426 5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.712 6.032 3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.989 4.820 3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.773 6.147 2.297 1.00 0.00 H new ATOM 605 N LEU A 43 -5.198 8.712 2.843 1.00 0.00 N ATOM 606 CA LEU A 43 -4.824 10.105 2.628 1.00 0.00 C ATOM 607 C LEU A 43 -6.052 11.009 2.656 1.00 0.00 C ATOM 608 O LEU A 43 -6.504 11.493 1.619 1.00 0.00 O ATOM 609 CB LEU A 43 -4.095 10.258 1.292 1.00 0.00 C ATOM 610 CG LEU A 43 -2.670 9.706 1.237 1.00 0.00 C ATOM 611 CD1 LEU A 43 -1.807 10.348 2.311 1.00 0.00 C ATOM 612 CD2 LEU A 43 -2.679 8.192 1.393 1.00 0.00 C ATOM 0 H LEU A 43 -5.369 8.185 1.987 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.156 10.405 3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.685 9.763 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.063 11.317 1.038 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.244 9.949 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.797 9.943 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.774 11.426 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.230 10.136 3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.657 7.816 1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.124 7.928 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.262 7.747 0.587 1.00 0.00 H new ATOM 624 N GLY A 44 -6.587 11.236 3.853 1.00 0.00 N ATOM 625 CA GLY A 44 -7.756 12.083 3.994 1.00 0.00 C ATOM 626 C GLY A 44 -8.698 11.975 2.811 1.00 0.00 C ATOM 627 O GLY A 44 -9.347 12.950 2.433 1.00 0.00 O ATOM 0 H GLY A 44 -6.231 10.848 4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.289 11.812 4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.438 13.119 4.108 1.00 0.00 H new ATOM 631 N LYS A 45 -8.772 10.785 2.223 1.00 0.00 N ATOM 632 CA LYS A 45 -9.640 10.552 1.075 1.00 0.00 C ATOM 633 C LYS A 45 -10.068 9.089 1.006 1.00 0.00 C ATOM 634 O LYS A 45 -9.565 8.249 1.752 1.00 0.00 O ATOM 635 CB LYS A 45 -8.925 10.947 -0.219 1.00 0.00 C ATOM 636 CG LYS A 45 -9.110 12.407 -0.595 1.00 0.00 C ATOM 637 CD LYS A 45 -8.690 12.671 -2.031 1.00 0.00 C ATOM 638 CE LYS A 45 -8.210 14.102 -2.217 1.00 0.00 C ATOM 639 NZ LYS A 45 -9.305 15.087 -1.999 1.00 0.00 N ATOM 0 H LYS A 45 -8.241 9.967 2.523 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.531 11.168 1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.860 10.740 -0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.292 10.322 -1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.155 12.688 -0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.524 13.034 0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.895 11.980 -2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.530 12.478 -2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.395 14.305 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.808 14.222 -3.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.946 16.048 -2.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.086 14.889 -2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.649 15.013 -1.020 1.00 0.00 H new ATOM 653 N SER A 46 -11.000 8.792 0.105 1.00 0.00 N ATOM 654 CA SER A 46 -11.497 7.432 -0.059 1.00 0.00 C ATOM 655 C SER A 46 -11.009 6.830 -1.374 1.00 0.00 C ATOM 656 O SER A 46 -10.984 7.502 -2.405 1.00 0.00 O ATOM 657 CB SER A 46 -13.026 7.417 -0.015 1.00 0.00 C ATOM 658 OG SER A 46 -13.576 8.086 -1.137 1.00 0.00 O ATOM 0 H SER A 46 -11.425 9.475 -0.522 1.00 0.00 H new ATOM 0 HA SER A 46 -11.111 6.829 0.762 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.382 6.387 0.008 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.371 7.895 0.902 1.00 0.00 H new ATOM 0 HG SER A 46 -14.358 7.592 -1.461 1.00 0.00 H new ATOM 664 N TRP A 47 -10.623 5.560 -1.328 1.00 0.00 N ATOM 665 CA TRP A 47 -10.135 4.867 -2.515 1.00 0.00 C ATOM 666 C TRP A 47 -10.668 3.440 -2.569 1.00 0.00 C ATOM 667 O TRP A 47 -10.610 2.707 -1.581 1.00 0.00 O ATOM 668 CB TRP A 47 -8.606 4.854 -2.531 1.00 0.00 C ATOM 669 CG TRP A 47 -7.996 6.140 -2.058 1.00 0.00 C ATOM 670 CD1 TRP A 47 -7.976 6.615 -0.778 1.00 0.00 C ATOM 671 CD2 TRP A 47 -7.321 7.114 -2.861 1.00 0.00 C ATOM 672 NE1 TRP A 47 -7.328 7.826 -0.737 1.00 0.00 N ATOM 673 CE2 TRP A 47 -6.916 8.154 -2.001 1.00 0.00 C ATOM 674 CE3 TRP A 47 -7.016 7.208 -4.221 1.00 0.00 C ATOM 675 CZ2 TRP A 47 -6.225 9.272 -2.460 1.00 0.00 C ATOM 676 CZ3 TRP A 47 -6.331 8.319 -4.675 1.00 0.00 C ATOM 677 CH2 TRP A 47 -5.941 9.339 -3.797 1.00 0.00 C ATOM 0 H TRP A 47 -10.638 4.990 -0.483 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.496 5.404 -3.393 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.250 4.038 -1.902 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.262 4.648 -3.545 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.406 6.113 0.076 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.178 8.390 0.100 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.310 6.426 -4.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.924 10.059 -1.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.092 8.403 -5.725 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.406 10.194 -4.183 1.00 0.00 H new ATOM 688 N HIS A 48 -11.188 3.050 -3.729 1.00 0.00 N ATOM 689 CA HIS A 48 -11.731 1.709 -3.911 1.00 0.00 C ATOM 690 C HIS A 48 -10.704 0.650 -3.522 1.00 0.00 C ATOM 691 O HIS A 48 -9.506 0.791 -3.768 1.00 0.00 O ATOM 692 CB HIS A 48 -12.166 1.505 -5.363 1.00 0.00 C ATOM 693 CG HIS A 48 -13.532 2.041 -5.660 1.00 0.00 C ATOM 694 ND1 HIS A 48 -13.764 3.047 -6.574 1.00 0.00 N ATOM 695 CD2 HIS A 48 -14.744 1.704 -5.159 1.00 0.00 C ATOM 696 CE1 HIS A 48 -15.058 3.306 -6.621 1.00 0.00 C ATOM 697 NE2 HIS A 48 -15.675 2.505 -5.772 1.00 0.00 N ATOM 0 H HIS A 48 -11.245 3.644 -4.556 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.600 1.604 -3.261 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.444 1.988 -6.021 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.145 0.440 -5.594 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.941 0.946 -4.415 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.531 4.047 -7.248 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -16.680 2.485 -5.600 1.00 0.00 H new ATOM 705 N PRO A 49 -11.182 -0.438 -2.898 1.00 0.00 N ATOM 706 CA PRO A 49 -10.322 -1.542 -2.461 1.00 0.00 C ATOM 707 C PRO A 49 -9.763 -2.340 -3.634 1.00 0.00 C ATOM 708 O PRO A 49 -8.766 -3.048 -3.494 1.00 0.00 O ATOM 709 CB PRO A 49 -11.261 -2.412 -1.622 1.00 0.00 C ATOM 710 CG PRO A 49 -12.623 -2.116 -2.148 1.00 0.00 C ATOM 711 CD PRO A 49 -12.599 -0.673 -2.573 1.00 0.00 C ATOM 0 HA PRO A 49 -9.447 -1.187 -1.916 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.018 -3.470 -1.725 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.184 -2.169 -0.562 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -12.867 -2.766 -2.988 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.382 -2.285 -1.384 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.244 -0.497 -3.434 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.944 -0.013 -1.777 1.00 0.00 H new ATOM 719 N GLU A 50 -10.410 -2.219 -4.789 1.00 0.00 N ATOM 720 CA GLU A 50 -9.975 -2.931 -5.985 1.00 0.00 C ATOM 721 C GLU A 50 -9.062 -2.054 -6.837 1.00 0.00 C ATOM 722 O GLU A 50 -8.096 -2.537 -7.427 1.00 0.00 O ATOM 723 CB GLU A 50 -11.186 -3.376 -6.808 1.00 0.00 C ATOM 724 CG GLU A 50 -12.033 -2.223 -7.318 1.00 0.00 C ATOM 725 CD GLU A 50 -13.394 -2.673 -7.813 1.00 0.00 C ATOM 726 OE1 GLU A 50 -14.293 -2.877 -6.970 1.00 0.00 O ATOM 727 OE2 GLU A 50 -13.561 -2.821 -9.041 1.00 0.00 O ATOM 0 H GLU A 50 -11.236 -1.636 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.415 -3.811 -5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.840 -3.965 -7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.808 -4.031 -6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.164 -1.493 -6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.505 -1.719 -8.127 1.00 0.00 H new ATOM 734 N GLU A 51 -9.376 -0.764 -6.897 1.00 0.00 N ATOM 735 CA GLU A 51 -8.584 0.179 -7.678 1.00 0.00 C ATOM 736 C GLU A 51 -7.301 0.554 -6.941 1.00 0.00 C ATOM 737 O GLU A 51 -6.215 0.547 -7.520 1.00 0.00 O ATOM 738 CB GLU A 51 -9.400 1.439 -7.977 1.00 0.00 C ATOM 739 CG GLU A 51 -8.988 2.140 -9.261 1.00 0.00 C ATOM 740 CD GLU A 51 -9.943 3.250 -9.652 1.00 0.00 C ATOM 741 OE1 GLU A 51 -10.671 3.745 -8.765 1.00 0.00 O ATOM 742 OE2 GLU A 51 -9.964 3.624 -10.843 1.00 0.00 O ATOM 0 H GLU A 51 -10.173 -0.348 -6.415 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.315 -0.303 -8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.455 1.172 -8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.297 2.135 -7.144 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.987 2.553 -9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.936 1.410 -10.068 1.00 0.00 H new ATOM 749 N PHE A 52 -7.436 0.880 -5.660 1.00 0.00 N ATOM 750 CA PHE A 52 -6.289 1.260 -4.843 1.00 0.00 C ATOM 751 C PHE A 52 -5.140 0.272 -5.027 1.00 0.00 C ATOM 752 O PHE A 52 -5.064 -0.743 -4.337 1.00 0.00 O ATOM 753 CB PHE A 52 -6.687 1.327 -3.368 1.00 0.00 C ATOM 754 CG PHE A 52 -5.688 2.051 -2.510 1.00 0.00 C ATOM 755 CD1 PHE A 52 -5.254 3.322 -2.851 1.00 0.00 C ATOM 756 CD2 PHE A 52 -5.184 1.460 -1.363 1.00 0.00 C ATOM 757 CE1 PHE A 52 -4.335 3.989 -2.064 1.00 0.00 C ATOM 758 CE2 PHE A 52 -4.264 2.123 -0.571 1.00 0.00 C ATOM 759 CZ PHE A 52 -3.840 3.390 -0.922 1.00 0.00 C ATOM 0 H PHE A 52 -8.328 0.889 -5.165 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.954 2.245 -5.167 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.654 1.823 -3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.814 0.313 -2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.638 3.796 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.513 0.470 -1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.004 4.979 -2.342 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.878 1.651 0.320 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.123 3.911 -0.305 1.00 0.00 H new ATOM 769 N ASN A 53 -4.249 0.579 -5.965 1.00 0.00 N ATOM 770 CA ASN A 53 -3.104 -0.282 -6.241 1.00 0.00 C ATOM 771 C ASN A 53 -1.803 0.516 -6.207 1.00 0.00 C ATOM 772 O ASN A 53 -1.812 1.730 -6.004 1.00 0.00 O ATOM 773 CB ASN A 53 -3.265 -0.957 -7.604 1.00 0.00 C ATOM 774 CG ASN A 53 -4.226 -2.130 -7.558 1.00 0.00 C ATOM 775 OD1 ASN A 53 -4.093 -3.023 -6.721 1.00 0.00 O ATOM 776 ND2 ASN A 53 -5.200 -2.132 -8.460 1.00 0.00 N ATOM 0 H ASN A 53 -4.298 1.416 -6.546 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.061 -1.047 -5.466 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.623 -0.226 -8.329 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.292 -1.302 -7.953 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.877 -2.895 -8.478 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.272 -1.371 -9.135 1.00 0.00 H new ATOM 783 N CYS A 54 -0.687 -0.176 -6.406 1.00 0.00 N ATOM 784 CA CYS A 54 0.623 0.465 -6.399 1.00 0.00 C ATOM 785 C CYS A 54 0.883 1.186 -7.719 1.00 0.00 C ATOM 786 O CYS A 54 0.082 1.106 -8.650 1.00 0.00 O ATOM 787 CB CYS A 54 1.720 -0.570 -6.145 1.00 0.00 C ATOM 788 SG CYS A 54 3.227 0.114 -5.386 1.00 0.00 S ATOM 0 H CYS A 54 -0.663 -1.182 -6.574 1.00 0.00 H new ATOM 0 HA CYS A 54 0.635 1.201 -5.595 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.323 -1.352 -5.498 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.985 -1.042 -7.091 1.00 0.00 H new ATOM 793 N ALA A 55 2.008 1.889 -7.791 1.00 0.00 N ATOM 794 CA ALA A 55 2.376 2.622 -8.996 1.00 0.00 C ATOM 795 C ALA A 55 3.395 1.844 -9.821 1.00 0.00 C ATOM 796 O ALA A 55 3.441 1.967 -11.046 1.00 0.00 O ATOM 797 CB ALA A 55 2.923 3.994 -8.633 1.00 0.00 C ATOM 0 H ALA A 55 2.681 1.967 -7.028 1.00 0.00 H new ATOM 0 HA ALA A 55 1.479 2.750 -9.602 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.194 4.530 -9.543 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.163 4.557 -8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.805 3.879 -8.003 1.00 0.00 H new ATOM 803 N HIS A 56 4.213 1.045 -9.144 1.00 0.00 N ATOM 804 CA HIS A 56 5.233 0.248 -9.815 1.00 0.00 C ATOM 805 C HIS A 56 4.776 -1.199 -9.971 1.00 0.00 C ATOM 806 O HIS A 56 4.642 -1.702 -11.088 1.00 0.00 O ATOM 807 CB HIS A 56 6.546 0.298 -9.034 1.00 0.00 C ATOM 808 CG HIS A 56 7.579 -0.664 -9.535 1.00 0.00 C ATOM 809 ND1 HIS A 56 8.349 -0.427 -10.654 1.00 0.00 N ATOM 810 CD2 HIS A 56 7.968 -1.872 -9.062 1.00 0.00 C ATOM 811 CE1 HIS A 56 9.165 -1.447 -10.848 1.00 0.00 C ATOM 812 NE2 HIS A 56 8.954 -2.337 -9.896 1.00 0.00 N ATOM 0 H HIS A 56 4.189 0.932 -8.131 1.00 0.00 H new ATOM 0 HA HIS A 56 5.393 0.670 -10.807 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.950 1.309 -9.083 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.343 0.086 -7.984 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.576 -2.376 -8.191 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.883 -1.538 -11.650 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.444 -3.226 -9.796 1.00 0.00 H new ATOM 821 N CYS A 57 4.538 -1.865 -8.846 1.00 0.00 N ATOM 822 CA CYS A 57 4.097 -3.254 -8.857 1.00 0.00 C ATOM 823 C CYS A 57 2.595 -3.346 -9.113 1.00 0.00 C ATOM 824 O CYS A 57 2.052 -4.434 -9.303 1.00 0.00 O ATOM 825 CB CYS A 57 4.441 -3.931 -7.529 1.00 0.00 C ATOM 826 SG CYS A 57 3.470 -3.325 -6.112 1.00 0.00 S ATOM 0 H CYS A 57 4.643 -1.464 -7.914 1.00 0.00 H new ATOM 0 HA CYS A 57 4.618 -3.768 -9.665 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.285 -5.005 -7.630 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.500 -3.781 -7.321 1.00 0.00 H new ATOM 831 N LYS A 58 1.930 -2.196 -9.117 1.00 0.00 N ATOM 832 CA LYS A 58 0.492 -2.144 -9.351 1.00 0.00 C ATOM 833 C LYS A 58 -0.214 -3.305 -8.658 1.00 0.00 C ATOM 834 O LYS A 58 -1.017 -4.009 -9.269 1.00 0.00 O ATOM 835 CB LYS A 58 0.197 -2.178 -10.853 1.00 0.00 C ATOM 836 CG LYS A 58 0.879 -1.066 -11.631 1.00 0.00 C ATOM 837 CD LYS A 58 0.029 0.193 -11.665 1.00 0.00 C ATOM 838 CE LYS A 58 -0.898 0.208 -12.871 1.00 0.00 C ATOM 839 NZ LYS A 58 -1.998 1.199 -12.712 1.00 0.00 N ATOM 0 H LYS A 58 2.365 -1.287 -8.961 1.00 0.00 H new ATOM 0 HA LYS A 58 0.115 -1.210 -8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.515 -3.140 -11.256 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.880 -2.109 -11.005 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.844 -0.842 -11.177 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.076 -1.401 -12.649 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.561 0.260 -10.751 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.676 1.070 -11.692 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.324 0.443 -13.767 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.322 -0.786 -13.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.608 1.179 -13.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.561 0.960 -11.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.594 2.151 -12.600 1.00 0.00 H new ATOM 853 N ASN A 59 0.089 -3.497 -7.378 1.00 0.00 N ATOM 854 CA ASN A 59 -0.518 -4.572 -6.602 1.00 0.00 C ATOM 855 C ASN A 59 -1.530 -4.018 -5.604 1.00 0.00 C ATOM 856 O ASN A 59 -1.507 -2.832 -5.272 1.00 0.00 O ATOM 857 CB ASN A 59 0.561 -5.367 -5.863 1.00 0.00 C ATOM 858 CG ASN A 59 1.206 -6.421 -6.741 1.00 0.00 C ATOM 859 OD1 ASN A 59 0.573 -6.960 -7.650 1.00 0.00 O ATOM 860 ND2 ASN A 59 2.472 -6.720 -6.474 1.00 0.00 N ATOM 0 H ASN A 59 0.751 -2.922 -6.857 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.040 -5.235 -7.292 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.327 -4.683 -5.499 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.120 -5.846 -4.989 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.959 -7.421 -7.032 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.957 -6.248 -5.711 1.00 0.00 H new ATOM 867 N THR A 60 -2.419 -4.884 -5.128 1.00 0.00 N ATOM 868 CA THR A 60 -3.440 -4.483 -4.169 1.00 0.00 C ATOM 869 C THR A 60 -2.814 -3.850 -2.931 1.00 0.00 C ATOM 870 O THR A 60 -2.099 -4.512 -2.179 1.00 0.00 O ATOM 871 CB THR A 60 -4.307 -5.680 -3.736 1.00 0.00 C ATOM 872 OG1 THR A 60 -5.072 -5.338 -2.575 1.00 0.00 O ATOM 873 CG2 THR A 60 -3.441 -6.895 -3.439 1.00 0.00 C ATOM 0 H THR A 60 -2.452 -5.869 -5.392 1.00 0.00 H new ATOM 0 HA THR A 60 -4.071 -3.749 -4.670 1.00 0.00 H new ATOM 0 HB THR A 60 -4.983 -5.926 -4.555 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.621 -6.104 -2.308 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.075 -7.728 -3.135 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.883 -7.171 -4.333 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.744 -6.657 -2.635 1.00 0.00 H new ATOM 881 N MET A 61 -3.087 -2.566 -2.727 1.00 0.00 N ATOM 882 CA MET A 61 -2.551 -1.845 -1.578 1.00 0.00 C ATOM 883 C MET A 61 -3.616 -1.669 -0.501 1.00 0.00 C ATOM 884 O MET A 61 -3.722 -0.608 0.114 1.00 0.00 O ATOM 885 CB MET A 61 -2.017 -0.478 -2.011 1.00 0.00 C ATOM 886 CG MET A 61 -0.840 -0.561 -2.969 1.00 0.00 C ATOM 887 SD MET A 61 0.263 0.860 -2.841 1.00 0.00 S ATOM 888 CE MET A 61 -0.783 2.160 -3.491 1.00 0.00 C ATOM 0 H MET A 61 -3.676 -2.003 -3.341 1.00 0.00 H new ATOM 0 HA MET A 61 -1.732 -2.432 -1.162 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.822 0.084 -2.485 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.716 0.082 -1.126 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.277 -1.472 -2.768 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.213 -0.636 -3.991 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.304 2.613 -4.359 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.745 1.740 -3.785 1.00 0.00 H new ATOM 0 HE3 MET A 61 -0.938 2.920 -2.725 1.00 0.00 H new ATOM 898 N ALA A 62 -4.404 -2.716 -0.277 1.00 0.00 N ATOM 899 CA ALA A 62 -5.460 -2.678 0.727 1.00 0.00 C ATOM 900 C ALA A 62 -4.934 -3.104 2.093 1.00 0.00 C ATOM 901 O ALA A 62 -5.076 -2.379 3.078 1.00 0.00 O ATOM 902 CB ALA A 62 -6.622 -3.565 0.306 1.00 0.00 C ATOM 0 H ALA A 62 -4.331 -3.601 -0.778 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.814 -1.650 0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.403 -3.527 1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.023 -3.213 -0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.274 -4.592 0.195 1.00 0.00 H new ATOM 908 N TYR A 63 -4.327 -4.285 2.146 1.00 0.00 N ATOM 909 CA TYR A 63 -3.783 -4.810 3.392 1.00 0.00 C ATOM 910 C TYR A 63 -2.417 -4.199 3.690 1.00 0.00 C ATOM 911 O TYR A 63 -2.221 -3.567 4.728 1.00 0.00 O ATOM 912 CB TYR A 63 -3.668 -6.333 3.322 1.00 0.00 C ATOM 913 CG TYR A 63 -4.883 -7.005 2.722 1.00 0.00 C ATOM 914 CD1 TYR A 63 -6.124 -6.921 3.342 1.00 0.00 C ATOM 915 CD2 TYR A 63 -4.790 -7.724 1.537 1.00 0.00 C ATOM 916 CE1 TYR A 63 -7.237 -7.534 2.798 1.00 0.00 C ATOM 917 CE2 TYR A 63 -5.897 -8.338 0.985 1.00 0.00 C ATOM 918 CZ TYR A 63 -7.118 -8.240 1.619 1.00 0.00 C ATOM 919 OH TYR A 63 -8.224 -8.852 1.074 1.00 0.00 O ATOM 0 H TYR A 63 -4.200 -4.897 1.340 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.466 -4.541 4.198 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.790 -6.596 2.733 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.506 -6.723 4.327 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.220 -6.367 4.264 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.835 -7.804 1.039 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.194 -7.461 3.293 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.807 -8.892 0.062 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.971 -9.306 0.243 1.00 0.00 H new ATOM 929 N ILE A 64 -1.477 -4.393 2.771 1.00 0.00 N ATOM 930 CA ILE A 64 -0.130 -3.860 2.933 1.00 0.00 C ATOM 931 C ILE A 64 -0.153 -2.342 3.079 1.00 0.00 C ATOM 932 O ILE A 64 -1.188 -1.705 2.888 1.00 0.00 O ATOM 933 CB ILE A 64 0.772 -4.237 1.743 1.00 0.00 C ATOM 934 CG1 ILE A 64 0.170 -3.719 0.435 1.00 0.00 C ATOM 935 CG2 ILE A 64 0.966 -5.745 1.682 1.00 0.00 C ATOM 936 CD1 ILE A 64 1.113 -3.815 -0.744 1.00 0.00 C ATOM 0 H ILE A 64 -1.623 -4.915 1.907 1.00 0.00 H new ATOM 0 HA ILE A 64 0.277 -4.304 3.841 1.00 0.00 H new ATOM 0 HB ILE A 64 1.747 -3.770 1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.735 -4.284 0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.128 -2.679 0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.606 -5.996 0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.433 -6.089 2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.002 -6.232 1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.620 -3.430 -1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.009 -3.227 -0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.391 -4.857 -0.904 1.00 0.00 H new ATOM 948 N GLY A 65 0.998 -1.768 3.416 1.00 0.00 N ATOM 949 CA GLY A 65 1.089 -0.329 3.580 1.00 0.00 C ATOM 950 C GLY A 65 1.444 0.380 2.288 1.00 0.00 C ATOM 951 O GLY A 65 1.357 -0.203 1.207 1.00 0.00 O ATOM 0 H GLY A 65 1.869 -2.274 3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.137 0.052 3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.840 -0.099 4.335 1.00 0.00 H new ATOM 955 N PHE A 66 1.844 1.642 2.398 1.00 0.00 N ATOM 956 CA PHE A 66 2.211 2.433 1.228 1.00 0.00 C ATOM 957 C PHE A 66 2.974 3.689 1.639 1.00 0.00 C ATOM 958 O PHE A 66 3.042 4.030 2.820 1.00 0.00 O ATOM 959 CB PHE A 66 0.961 2.818 0.435 1.00 0.00 C ATOM 960 CG PHE A 66 0.039 3.741 1.179 1.00 0.00 C ATOM 961 CD1 PHE A 66 0.345 5.085 1.317 1.00 0.00 C ATOM 962 CD2 PHE A 66 -1.135 3.264 1.741 1.00 0.00 C ATOM 963 CE1 PHE A 66 -0.502 5.936 2.003 1.00 0.00 C ATOM 964 CE2 PHE A 66 -1.985 4.110 2.427 1.00 0.00 C ATOM 965 CZ PHE A 66 -1.669 5.448 2.557 1.00 0.00 C ATOM 0 H PHE A 66 1.923 2.140 3.285 1.00 0.00 H new ATOM 0 HA PHE A 66 2.860 1.825 0.597 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.264 3.295 -0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.417 1.912 0.168 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.255 5.473 0.884 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.388 2.219 1.641 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.251 6.981 2.105 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.896 3.725 2.861 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.333 6.111 3.091 1.00 0.00 H new ATOM 975 N VAL A 67 3.548 4.373 0.654 1.00 0.00 N ATOM 976 CA VAL A 67 4.306 5.592 0.912 1.00 0.00 C ATOM 977 C VAL A 67 4.046 6.639 -0.165 1.00 0.00 C ATOM 978 O VAL A 67 4.153 6.356 -1.358 1.00 0.00 O ATOM 979 CB VAL A 67 5.819 5.308 0.980 1.00 0.00 C ATOM 980 CG1 VAL A 67 6.588 6.583 1.293 1.00 0.00 C ATOM 981 CG2 VAL A 67 6.112 4.232 2.014 1.00 0.00 C ATOM 0 H VAL A 67 3.503 4.104 -0.329 1.00 0.00 H new ATOM 0 HA VAL A 67 3.971 5.975 1.876 1.00 0.00 H new ATOM 0 HB VAL A 67 6.147 4.944 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.655 6.363 1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.402 7.321 0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.259 6.980 2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.185 4.044 2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.770 4.566 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.591 3.314 1.741 1.00 0.00 H new ATOM 991 N GLU A 68 3.702 7.849 0.264 1.00 0.00 N ATOM 992 CA GLU A 68 3.426 8.939 -0.664 1.00 0.00 C ATOM 993 C GLU A 68 4.713 9.656 -1.061 1.00 0.00 C ATOM 994 O GLU A 68 5.491 10.074 -0.204 1.00 0.00 O ATOM 995 CB GLU A 68 2.446 9.934 -0.040 1.00 0.00 C ATOM 996 CG GLU A 68 2.338 11.243 -0.804 1.00 0.00 C ATOM 997 CD GLU A 68 1.164 12.089 -0.350 1.00 0.00 C ATOM 998 OE1 GLU A 68 0.071 11.523 -0.139 1.00 0.00 O ATOM 999 OE2 GLU A 68 1.339 13.317 -0.206 1.00 0.00 O ATOM 0 H GLU A 68 3.608 8.099 1.248 1.00 0.00 H new ATOM 0 HA GLU A 68 2.977 8.513 -1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.460 9.473 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.758 10.145 0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.260 11.810 -0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.238 11.031 -1.868 1.00 0.00 H new ATOM 1006 N GLU A 69 4.929 9.794 -2.365 1.00 0.00 N ATOM 1007 CA GLU A 69 6.123 10.459 -2.875 1.00 0.00 C ATOM 1008 C GLU A 69 5.852 11.095 -4.235 1.00 0.00 C ATOM 1009 O GLU A 69 5.462 10.416 -5.185 1.00 0.00 O ATOM 1010 CB GLU A 69 7.280 9.464 -2.986 1.00 0.00 C ATOM 1011 CG GLU A 69 8.563 10.080 -3.518 1.00 0.00 C ATOM 1012 CD GLU A 69 9.776 9.205 -3.269 1.00 0.00 C ATOM 1013 OE1 GLU A 69 9.608 7.973 -3.161 1.00 0.00 O ATOM 1014 OE2 GLU A 69 10.895 9.754 -3.183 1.00 0.00 O ATOM 0 H GLU A 69 4.294 9.455 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 69 6.397 11.247 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.474 9.034 -2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.982 8.644 -3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.460 10.256 -4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.718 11.051 -3.048 1.00 0.00 H new ATOM 1021 N LYS A 70 6.061 12.405 -4.321 1.00 0.00 N ATOM 1022 CA LYS A 70 5.841 13.135 -5.564 1.00 0.00 C ATOM 1023 C LYS A 70 4.550 12.683 -6.239 1.00 0.00 C ATOM 1024 O LYS A 70 4.494 12.537 -7.459 1.00 0.00 O ATOM 1025 CB LYS A 70 7.023 12.934 -6.514 1.00 0.00 C ATOM 1026 CG LYS A 70 8.150 13.930 -6.303 1.00 0.00 C ATOM 1027 CD LYS A 70 7.857 15.256 -6.984 1.00 0.00 C ATOM 1028 CE LYS A 70 9.114 16.102 -7.123 1.00 0.00 C ATOM 1029 NZ LYS A 70 8.798 17.506 -7.503 1.00 0.00 N ATOM 0 H LYS A 70 6.383 12.983 -3.544 1.00 0.00 H new ATOM 0 HA LYS A 70 5.753 14.194 -5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.413 11.924 -6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.669 13.011 -7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.298 14.093 -5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.080 13.517 -6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.430 15.073 -7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.110 15.804 -6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.662 16.095 -6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.768 15.660 -7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.680 18.050 -7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.297 17.515 -8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.195 17.936 -6.773 1.00 0.00 H new ATOM 1043 N GLY A 71 3.512 12.465 -5.436 1.00 0.00 N ATOM 1044 CA GLY A 71 2.236 12.033 -5.975 1.00 0.00 C ATOM 1045 C GLY A 71 2.253 10.583 -6.417 1.00 0.00 C ATOM 1046 O GLY A 71 1.816 10.259 -7.521 1.00 0.00 O ATOM 0 H GLY A 71 3.533 12.580 -4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.461 12.170 -5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.971 12.665 -6.823 1.00 0.00 H new ATOM 1050 N ALA A 72 2.760 9.709 -5.554 1.00 0.00 N ATOM 1051 CA ALA A 72 2.832 8.286 -5.861 1.00 0.00 C ATOM 1052 C ALA A 72 2.826 7.449 -4.586 1.00 0.00 C ATOM 1053 O ALA A 72 3.560 7.735 -3.639 1.00 0.00 O ATOM 1054 CB ALA A 72 4.075 7.987 -6.686 1.00 0.00 C ATOM 0 H ALA A 72 3.127 9.962 -4.636 1.00 0.00 H new ATOM 0 HA ALA A 72 1.950 8.019 -6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.116 6.921 -6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.037 8.551 -7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.963 8.275 -6.123 1.00 0.00 H new ATOM 1060 N LEU A 73 1.994 6.414 -4.568 1.00 0.00 N ATOM 1061 CA LEU A 73 1.892 5.534 -3.409 1.00 0.00 C ATOM 1062 C LEU A 73 2.632 4.223 -3.653 1.00 0.00 C ATOM 1063 O LEU A 73 2.205 3.398 -4.462 1.00 0.00 O ATOM 1064 CB LEU A 73 0.424 5.251 -3.086 1.00 0.00 C ATOM 1065 CG LEU A 73 -0.424 6.463 -2.700 1.00 0.00 C ATOM 1066 CD1 LEU A 73 -1.891 6.076 -2.588 1.00 0.00 C ATOM 1067 CD2 LEU A 73 0.071 7.066 -1.393 1.00 0.00 C ATOM 0 H LEU A 73 1.380 6.163 -5.343 1.00 0.00 H new ATOM 0 HA LEU A 73 2.354 6.038 -2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.033 4.775 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.385 4.530 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.327 7.214 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.478 6.952 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.240 5.692 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.007 5.307 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.544 7.928 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.004 6.321 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.108 7.382 -1.508 1.00 0.00 H new ATOM 1079 N TYR A 74 3.742 4.037 -2.948 1.00 0.00 N ATOM 1080 CA TYR A 74 4.543 2.826 -3.089 1.00 0.00 C ATOM 1081 C TYR A 74 4.407 1.937 -1.856 1.00 0.00 C ATOM 1082 O TYR A 74 4.592 2.390 -0.726 1.00 0.00 O ATOM 1083 CB TYR A 74 6.013 3.184 -3.313 1.00 0.00 C ATOM 1084 CG TYR A 74 6.240 4.093 -4.500 1.00 0.00 C ATOM 1085 CD1 TYR A 74 6.401 3.571 -5.778 1.00 0.00 C ATOM 1086 CD2 TYR A 74 6.295 5.472 -4.344 1.00 0.00 C ATOM 1087 CE1 TYR A 74 6.609 4.397 -6.866 1.00 0.00 C ATOM 1088 CE2 TYR A 74 6.502 6.306 -5.426 1.00 0.00 C ATOM 1089 CZ TYR A 74 6.659 5.763 -6.685 1.00 0.00 C ATOM 1090 OH TYR A 74 6.866 6.590 -7.765 1.00 0.00 O ATOM 0 H TYR A 74 4.108 4.709 -2.273 1.00 0.00 H new ATOM 0 HA TYR A 74 4.174 2.276 -3.955 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.401 3.667 -2.416 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.584 2.267 -3.454 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.363 2.501 -5.923 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.174 5.900 -3.360 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.732 3.975 -7.853 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.541 7.376 -5.287 1.00 0.00 H new ATOM 0 HH TYR A 74 6.873 7.523 -7.466 1.00 0.00 H new ATOM 1100 N CYS A 75 4.082 0.669 -2.082 1.00 0.00 N ATOM 1101 CA CYS A 75 3.921 -0.286 -0.993 1.00 0.00 C ATOM 1102 C CYS A 75 5.224 -0.449 -0.215 1.00 0.00 C ATOM 1103 O CYS A 75 6.307 -0.471 -0.799 1.00 0.00 O ATOM 1104 CB CYS A 75 3.466 -1.641 -1.537 1.00 0.00 C ATOM 1105 SG CYS A 75 4.665 -2.433 -2.657 1.00 0.00 S ATOM 0 H CYS A 75 3.925 0.279 -3.011 1.00 0.00 H new ATOM 0 HA CYS A 75 3.159 0.100 -0.315 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.271 -2.310 -0.699 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.522 -1.510 -2.066 1.00 0.00 H new ATOM 1110 N GLU A 76 5.109 -0.564 1.104 1.00 0.00 N ATOM 1111 CA GLU A 76 6.278 -0.724 1.961 1.00 0.00 C ATOM 1112 C GLU A 76 7.343 -1.573 1.274 1.00 0.00 C ATOM 1113 O GLU A 76 8.540 -1.313 1.404 1.00 0.00 O ATOM 1114 CB GLU A 76 5.878 -1.366 3.291 1.00 0.00 C ATOM 1115 CG GLU A 76 5.197 -2.715 3.136 1.00 0.00 C ATOM 1116 CD GLU A 76 4.455 -3.142 4.388 1.00 0.00 C ATOM 1117 OE1 GLU A 76 3.334 -2.641 4.613 1.00 0.00 O ATOM 1118 OE2 GLU A 76 4.997 -3.977 5.142 1.00 0.00 O ATOM 0 H GLU A 76 4.219 -0.549 1.602 1.00 0.00 H new ATOM 0 HA GLU A 76 6.694 0.265 2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.768 -1.487 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.209 -0.690 3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.498 -2.671 2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.944 -3.468 2.886 1.00 0.00 H new ATOM 1125 N LEU A 77 6.900 -2.590 0.542 1.00 0.00 N ATOM 1126 CA LEU A 77 7.815 -3.479 -0.166 1.00 0.00 C ATOM 1127 C LEU A 77 8.676 -2.699 -1.154 1.00 0.00 C ATOM 1128 O LEU A 77 9.905 -2.748 -1.096 1.00 0.00 O ATOM 1129 CB LEU A 77 7.032 -4.567 -0.902 1.00 0.00 C ATOM 1130 CG LEU A 77 6.550 -5.741 -0.049 1.00 0.00 C ATOM 1131 CD1 LEU A 77 5.666 -6.669 -0.868 1.00 0.00 C ATOM 1132 CD2 LEU A 77 7.735 -6.503 0.527 1.00 0.00 C ATOM 0 H LEU A 77 5.913 -2.819 0.423 1.00 0.00 H new ATOM 0 HA LEU A 77 8.471 -3.946 0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.164 -4.106 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.659 -4.959 -1.703 1.00 0.00 H new ATOM 0 HG LEU A 77 5.960 -5.346 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.333 -7.498 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.799 -6.118 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.232 -7.057 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.374 -7.335 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.351 -6.886 -0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.330 -5.834 1.149 1.00 0.00 H new ATOM 1144 N CYS A 78 8.023 -1.979 -2.060 1.00 0.00 N ATOM 1145 CA CYS A 78 8.728 -1.186 -3.060 1.00 0.00 C ATOM 1146 C CYS A 78 9.679 -0.194 -2.397 1.00 0.00 C ATOM 1147 O CYS A 78 10.884 -0.212 -2.646 1.00 0.00 O ATOM 1148 CB CYS A 78 7.728 -0.439 -3.945 1.00 0.00 C ATOM 1149 SG CYS A 78 6.882 -1.493 -5.167 1.00 0.00 S ATOM 0 H CYS A 78 7.006 -1.928 -2.122 1.00 0.00 H new ATOM 0 HA CYS A 78 9.315 -1.865 -3.679 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.980 0.034 -3.309 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.251 0.360 -4.471 1.00 0.00 H new ATOM 1154 N TYR A 79 9.128 0.671 -1.553 1.00 0.00 N ATOM 1155 CA TYR A 79 9.926 1.672 -0.855 1.00 0.00 C ATOM 1156 C TYR A 79 11.164 1.041 -0.227 1.00 0.00 C ATOM 1157 O TYR A 79 12.293 1.377 -0.583 1.00 0.00 O ATOM 1158 CB TYR A 79 9.088 2.361 0.223 1.00 0.00 C ATOM 1159 CG TYR A 79 9.882 3.311 1.092 1.00 0.00 C ATOM 1160 CD1 TYR A 79 10.710 2.834 2.100 1.00 0.00 C ATOM 1161 CD2 TYR A 79 9.804 4.685 0.902 1.00 0.00 C ATOM 1162 CE1 TYR A 79 11.437 3.699 2.896 1.00 0.00 C ATOM 1163 CE2 TYR A 79 10.528 5.557 1.693 1.00 0.00 C ATOM 1164 CZ TYR A 79 11.342 5.059 2.688 1.00 0.00 C ATOM 1165 OH TYR A 79 12.066 5.923 3.478 1.00 0.00 O ATOM 0 H TYR A 79 8.132 0.699 -1.336 1.00 0.00 H new ATOM 0 HA TYR A 79 10.250 2.415 -1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.277 2.911 -0.255 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.629 1.601 0.855 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.787 1.769 2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.167 5.078 0.123 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.076 3.312 3.676 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.456 6.623 1.533 1.00 0.00 H new ATOM 0 HH TYR A 79 12.701 6.421 2.922 1.00 0.00 H new ATOM 1175 N GLU A 80 10.943 0.123 0.709 1.00 0.00 N ATOM 1176 CA GLU A 80 12.041 -0.556 1.387 1.00 0.00 C ATOM 1177 C GLU A 80 13.014 -1.159 0.378 1.00 0.00 C ATOM 1178 O GLU A 80 14.228 -1.134 0.578 1.00 0.00 O ATOM 1179 CB GLU A 80 11.501 -1.651 2.310 1.00 0.00 C ATOM 1180 CG GLU A 80 12.584 -2.538 2.900 1.00 0.00 C ATOM 1181 CD GLU A 80 12.084 -3.933 3.223 1.00 0.00 C ATOM 1182 OE1 GLU A 80 11.276 -4.470 2.436 1.00 0.00 O ATOM 1183 OE2 GLU A 80 12.499 -4.487 4.262 1.00 0.00 O ATOM 0 H GLU A 80 10.014 -0.167 1.015 1.00 0.00 H new ATOM 0 HA GLU A 80 12.576 0.181 1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.941 -1.187 3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.799 -2.271 1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.414 -2.607 2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.972 -2.076 3.808 1.00 0.00 H new ATOM 1190 N LYS A 81 12.471 -1.702 -0.706 1.00 0.00 N ATOM 1191 CA LYS A 81 13.288 -2.312 -1.748 1.00 0.00 C ATOM 1192 C LYS A 81 14.274 -1.302 -2.328 1.00 0.00 C ATOM 1193 O LYS A 81 15.420 -1.638 -2.625 1.00 0.00 O ATOM 1194 CB LYS A 81 12.399 -2.869 -2.862 1.00 0.00 C ATOM 1195 CG LYS A 81 12.039 -4.333 -2.677 1.00 0.00 C ATOM 1196 CD LYS A 81 11.504 -4.943 -3.962 1.00 0.00 C ATOM 1197 CE LYS A 81 9.990 -4.830 -4.044 1.00 0.00 C ATOM 1198 NZ LYS A 81 9.387 -5.977 -4.778 1.00 0.00 N ATOM 0 H LYS A 81 11.467 -1.732 -0.886 1.00 0.00 H new ATOM 0 HA LYS A 81 13.853 -3.129 -1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.482 -2.281 -2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.909 -2.747 -3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.919 -4.886 -2.350 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.291 -4.428 -1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.954 -4.442 -4.819 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.795 -5.992 -4.017 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.574 -4.784 -3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.722 -3.898 -4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.354 -5.863 -4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.764 -6.006 -5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.621 -6.864 -4.288 1.00 0.00 H new ATOM 1212 N PHE A 82 13.820 -0.062 -2.484 1.00 0.00 N ATOM 1213 CA PHE A 82 14.662 0.997 -3.027 1.00 0.00 C ATOM 1214 C PHE A 82 15.207 1.885 -1.912 1.00 0.00 C ATOM 1215 O PHE A 82 16.416 1.953 -1.692 1.00 0.00 O ATOM 1216 CB PHE A 82 13.872 1.843 -4.028 1.00 0.00 C ATOM 1217 CG PHE A 82 13.550 1.117 -5.303 1.00 0.00 C ATOM 1218 CD1 PHE A 82 14.553 0.782 -6.198 1.00 0.00 C ATOM 1219 CD2 PHE A 82 12.243 0.769 -5.606 1.00 0.00 C ATOM 1220 CE1 PHE A 82 14.259 0.115 -7.372 1.00 0.00 C ATOM 1221 CE2 PHE A 82 11.943 0.102 -6.779 1.00 0.00 C ATOM 1222 CZ PHE A 82 12.953 -0.227 -7.662 1.00 0.00 C ATOM 0 H PHE A 82 12.874 0.233 -2.242 1.00 0.00 H new ATOM 0 HA PHE A 82 15.503 0.531 -3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.943 2.171 -3.561 1.00 0.00 H new ATOM 0 HB3 PHE A 82 14.444 2.740 -4.265 1.00 0.00 H new ATOM 0 HD1 PHE A 82 15.577 1.045 -5.976 1.00 0.00 H new ATOM 0 HD2 PHE A 82 11.450 1.022 -4.918 1.00 0.00 H new ATOM 0 HE1 PHE A 82 15.050 -0.139 -8.062 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.920 -0.162 -7.005 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.722 -0.751 -8.578 1.00 0.00 H new ATOM 1232 N PHE A 83 14.305 2.565 -1.211 1.00 0.00 N ATOM 1233 CA PHE A 83 14.693 3.450 -0.120 1.00 0.00 C ATOM 1234 C PHE A 83 15.631 2.738 0.850 1.00 0.00 C ATOM 1235 O PHE A 83 16.837 2.983 0.858 1.00 0.00 O ATOM 1236 CB PHE A 83 13.454 3.950 0.625 1.00 0.00 C ATOM 1237 CG PHE A 83 12.897 5.230 0.071 1.00 0.00 C ATOM 1238 CD1 PHE A 83 12.059 5.216 -1.033 1.00 0.00 C ATOM 1239 CD2 PHE A 83 13.211 6.447 0.653 1.00 0.00 C ATOM 1240 CE1 PHE A 83 11.544 6.392 -1.545 1.00 0.00 C ATOM 1241 CE2 PHE A 83 12.699 7.626 0.145 1.00 0.00 C ATOM 1242 CZ PHE A 83 11.865 7.599 -0.956 1.00 0.00 C ATOM 0 H PHE A 83 13.300 2.520 -1.380 1.00 0.00 H new ATOM 0 HA PHE A 83 15.220 4.303 -0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.682 3.181 0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.706 4.097 1.675 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.805 4.275 -1.499 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.863 6.475 1.513 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.891 6.367 -2.405 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.951 8.568 0.609 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.465 8.519 -1.355 1.00 0.00 H new ATOM 1252 N ALA A 84 15.067 1.855 1.669 1.00 0.00 N ATOM 1253 CA ALA A 84 15.852 1.106 2.642 1.00 0.00 C ATOM 1254 C ALA A 84 17.124 0.550 2.011 1.00 0.00 C ATOM 1255 O ALA A 84 18.229 0.989 2.329 1.00 0.00 O ATOM 1256 CB ALA A 84 15.020 -0.020 3.237 1.00 0.00 C ATOM 0 H ALA A 84 14.070 1.641 1.677 1.00 0.00 H new ATOM 0 HA ALA A 84 16.143 1.789 3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.619 -0.571 3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.144 0.398 3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.700 -0.695 2.443 1.00 0.00 H new ATOM 1262 N SER A 85 16.961 -0.418 1.116 1.00 0.00 N ATOM 1263 CA SER A 85 18.097 -1.037 0.443 1.00 0.00 C ATOM 1264 C SER A 85 19.173 -0.003 0.131 1.00 0.00 C ATOM 1265 O SER A 85 20.363 -0.253 0.318 1.00 0.00 O ATOM 1266 CB SER A 85 17.641 -1.721 -0.848 1.00 0.00 C ATOM 1267 OG SER A 85 18.736 -2.317 -1.522 1.00 0.00 O ATOM 0 H SER A 85 16.053 -0.791 0.840 1.00 0.00 H new ATOM 0 HA SER A 85 18.521 -1.786 1.113 1.00 0.00 H new ATOM 0 HB2 SER A 85 16.895 -2.481 -0.617 1.00 0.00 H new ATOM 0 HB3 SER A 85 17.161 -0.991 -1.500 1.00 0.00 H new ATOM 0 HG SER A 85 18.419 -2.749 -2.343 1.00 0.00 H new ATOM 1273 N GLY A 86 18.745 1.162 -0.346 1.00 0.00 N ATOM 1274 CA GLY A 86 19.684 2.219 -0.677 1.00 0.00 C ATOM 1275 C GLY A 86 20.562 2.603 0.498 1.00 0.00 C ATOM 1276 O GLY A 86 20.084 2.824 1.611 1.00 0.00 O ATOM 0 H GLY A 86 17.765 1.393 -0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 86 20.313 1.895 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.134 3.096 -1.018 1.00 0.00 H new ATOM 1280 N PRO A 87 21.878 2.686 0.255 1.00 0.00 N ATOM 1281 CA PRO A 87 22.853 3.045 1.290 1.00 0.00 C ATOM 1282 C PRO A 87 22.739 4.506 1.711 1.00 0.00 C ATOM 1283 O PRO A 87 23.043 4.859 2.850 1.00 0.00 O ATOM 1284 CB PRO A 87 24.201 2.787 0.613 1.00 0.00 C ATOM 1285 CG PRO A 87 23.925 2.924 -0.845 1.00 0.00 C ATOM 1286 CD PRO A 87 22.517 2.436 -1.048 1.00 0.00 C ATOM 0 HA PRO A 87 22.705 2.473 2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 87 24.953 3.504 0.943 1.00 0.00 H new ATOM 0 HB3 PRO A 87 24.581 1.794 0.852 1.00 0.00 H new ATOM 0 HG2 PRO A 87 24.029 3.960 -1.166 1.00 0.00 H new ATOM 0 HG3 PRO A 87 24.630 2.336 -1.433 1.00 0.00 H new ATOM 0 HD2 PRO A 87 22.016 2.976 -1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 87 22.492 1.379 -1.311 1.00 0.00 H new ATOM 1294 N SER A 88 22.298 5.351 0.785 1.00 0.00 N ATOM 1295 CA SER A 88 22.147 6.776 1.060 1.00 0.00 C ATOM 1296 C SER A 88 20.945 7.348 0.316 1.00 0.00 C ATOM 1297 O SER A 88 20.452 6.752 -0.642 1.00 0.00 O ATOM 1298 CB SER A 88 23.416 7.531 0.660 1.00 0.00 C ATOM 1299 OG SER A 88 23.481 8.794 1.299 1.00 0.00 O ATOM 0 H SER A 88 22.039 5.074 -0.162 1.00 0.00 H new ATOM 0 HA SER A 88 21.982 6.899 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 88 24.293 6.940 0.925 1.00 0.00 H new ATOM 0 HB3 SER A 88 23.437 7.666 -0.421 1.00 0.00 H new ATOM 0 HG SER A 88 24.302 9.256 1.028 1.00 0.00 H new ATOM 1305 N SER A 89 20.478 8.509 0.764 1.00 0.00 N ATOM 1306 CA SER A 89 19.330 9.162 0.144 1.00 0.00 C ATOM 1307 C SER A 89 19.623 10.635 -0.125 1.00 0.00 C ATOM 1308 O SER A 89 20.378 11.273 0.607 1.00 0.00 O ATOM 1309 CB SER A 89 18.097 9.030 1.039 1.00 0.00 C ATOM 1310 OG SER A 89 17.397 7.828 0.769 1.00 0.00 O ATOM 0 H SER A 89 20.876 9.017 1.554 1.00 0.00 H new ATOM 0 HA SER A 89 19.133 8.669 -0.808 1.00 0.00 H new ATOM 0 HB2 SER A 89 18.400 9.051 2.086 1.00 0.00 H new ATOM 0 HB3 SER A 89 17.436 9.883 0.881 1.00 0.00 H new ATOM 0 HG SER A 89 16.614 7.767 1.355 1.00 0.00 H new ATOM 1316 N GLY A 90 19.019 11.168 -1.183 1.00 0.00 N ATOM 1317 CA GLY A 90 19.227 12.562 -1.531 1.00 0.00 C ATOM 1318 C GLY A 90 19.423 12.764 -3.020 1.00 0.00 C ATOM 1319 O GLY A 90 19.605 11.783 -3.739 1.00 0.00 O ATOM 0 H GLY A 90 18.390 10.660 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.371 13.148 -1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 90 20.099 12.940 -0.998 1.00 0.00 H new TER 1323 GLY A 90 HETATM 1324 ZN ZN A 201 -12.311 4.079 -7.592 1.00 0.00 ZN HETATM 1325 ZN ZN A 401 4.582 -1.703 -4.866 1.00 0.00 ZN