USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 TYR OH : rot -21:sc= 0.299 USER MOD Set 1.2: A 71 HIS : no HD1:sc= -1.6 K(o=-1.3,f=-2.4) USER MOD Set 2.1: A 40 SER OG : rot 80:sc= 0.375! USER MOD Set 2.2: A 52 ASN : amide:sc= -1.35 K(o=-0.98,f=-2.9!) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 26 HIS : no HD1:sc= -12.4! C(o=-19!,f=-30!) USER MOD Set 3.3: A 31 ASN : amide:sc= -6.49! C(o=-19!,f=-26!) USER MOD Set 4.1: A 22 LYS NZ :NH3+ 175:sc= -0.0912 (180deg=-0.229) USER MOD Set 4.2: A 33 HIS : no HD1:sc= -6.22! C(o=-6.3!,f=-9.2!) USER MOD Set 5.1: A 2 SER OG : rot 180:sc= -0.783 USER MOD Set 5.2: A 4 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0189) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -41:sc= 1.18 USER MOD Single : A -2 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0781) USER MOD Single : A -3 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 0.0864 (180deg=0.0814) USER MOD Single : A 12 THR OG1 : rot -79:sc= 0.172 USER MOD Single : A 14 CYS SG : rot 137:sc= -0.632 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.784 K(o=0.78,f=-4!) USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= -0.293 (180deg=-1.31!) USER MOD Single : A 39 HIS : no HD1:sc= -0.0884 X(o=-0.088,f=-0.29) USER MOD Single : A 42 GLN :FLIP amide:sc= -2.19! C(o=-5.2!,f=-2.2!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= -0.0637 USER MOD Single : A 49 THR OG1 : rot 140:sc= -1.21 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= 0.172 (180deg=0.125) USER MOD Single : A 56 ASN : amide:sc= -0.862! C(o=-0.86!,f=-5.7!) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.178 F(o=-1.1,f=-0.18) USER MOD Single : A 63 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.7!) USER MOD Single : A 64 MET CE :methyl 164:sc= -0.261 (180deg=-0.736) USER MOD Single : A 65 SER OG : rot 74:sc= 0.666 USER MOD Single : A 69 THR OG1 : rot 94:sc= -2.83! USER MOD Single : A 70 ASN :FLIP amide:sc= -0.577 F(o=-9.2!,f=-0.58) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 34:sc= -2.84! USER MOD Single : A 78 THR OG1 : rot 50:sc= -0.699 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -153:sc= -0.277 (180deg=-1.56!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -1.43 K(o=-1.4,f=-2.4!) USER MOD Single : A 96 THR OG1 : rot 65:sc= -0.0945 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0883) USER MOD Single : A 100 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0808) USER MOD Single : A 102 THR OG1 : rot -175:sc= 0.22 USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 -13.448 7.317 4.200 1.00 0.00 N ATOM 33 CA PHE A -3 -12.070 7.645 3.740 1.00 0.00 C ATOM 34 C PHE A -3 -11.736 9.093 4.100 1.00 0.00 C ATOM 35 O PHE A -3 -12.494 10.002 3.825 1.00 0.00 O ATOM 36 CB PHE A -3 -11.985 7.461 2.226 1.00 0.00 C ATOM 37 CG PHE A -3 -10.578 7.747 1.760 1.00 0.00 C ATOM 38 CD1 PHE A -3 -9.617 6.730 1.765 1.00 0.00 C ATOM 39 CD2 PHE A -3 -10.235 9.032 1.321 1.00 0.00 C ATOM 40 CE1 PHE A -3 -8.313 6.997 1.332 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.931 9.299 0.888 1.00 0.00 C ATOM 42 CZ PHE A -3 -7.970 8.281 0.894 1.00 0.00 C ATOM 0 H1 PHE A -3 -13.671 6.332 3.953 1.00 0.00 H new ATOM 0 H2 PHE A -3 -13.508 7.438 5.231 1.00 0.00 H new ATOM 0 H3 PHE A -3 -14.129 7.952 3.737 1.00 0.00 H new ATOM 0 HA PHE A -3 -11.357 6.981 4.229 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -12.268 6.444 1.957 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -12.687 8.130 1.728 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -9.881 5.739 2.103 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -10.977 9.817 1.317 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -7.571 6.212 1.336 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -8.666 10.290 0.549 1.00 0.00 H new ATOM 0 HZ PHE A -3 -6.964 8.487 0.560 1.00 0.00 H new ATOM 52 N LYS A -2 -10.603 9.313 4.712 1.00 0.00 N ATOM 53 CA LYS A -2 -10.207 10.698 5.093 1.00 0.00 C ATOM 54 C LYS A -2 -9.020 11.139 4.234 1.00 0.00 C ATOM 55 O LYS A -2 -8.236 10.329 3.782 1.00 0.00 O ATOM 56 CB LYS A -2 -9.808 10.726 6.570 1.00 0.00 C ATOM 57 CG LYS A -2 -10.937 10.145 7.427 1.00 0.00 C ATOM 58 CD LYS A -2 -12.168 11.054 7.359 1.00 0.00 C ATOM 59 CE LYS A -2 -13.132 10.691 8.489 1.00 0.00 C ATOM 60 NZ LYS A -2 -13.665 9.317 8.264 1.00 0.00 N ATOM 0 H LYS A -2 -9.932 8.588 4.965 1.00 0.00 H new ATOM 0 HA LYS A -2 -11.045 11.376 4.932 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -8.894 10.151 6.720 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -9.595 11.749 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -11.193 9.145 7.076 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -10.605 10.045 8.461 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -11.867 12.098 7.444 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -12.663 10.942 6.394 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -12.619 10.741 9.449 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -13.951 11.409 8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -14.442 9.133 8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -14.018 9.237 7.289 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -12.907 8.621 8.416 1.00 0.00 H new ATOM 74 N ALA A -1 -8.884 12.416 4.003 1.00 0.00 N ATOM 75 CA ALA A -1 -7.751 12.907 3.170 1.00 0.00 C ATOM 76 C ALA A -1 -7.128 14.144 3.821 1.00 0.00 C ATOM 77 O ALA A -1 -7.464 14.512 4.929 1.00 0.00 O ATOM 78 CB ALA A -1 -8.266 13.271 1.779 1.00 0.00 C ATOM 0 H ALA A -1 -9.509 13.141 4.356 1.00 0.00 H new ATOM 0 HA ALA A -1 -6.997 12.124 3.089 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -7.439 13.631 1.167 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -8.706 12.390 1.312 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -9.021 14.052 1.864 1.00 0.00 H new ATOM 84 N GLY A 1 -6.221 14.788 3.138 1.00 0.00 N ATOM 85 CA GLY A 1 -5.573 16.002 3.712 1.00 0.00 C ATOM 86 C GLY A 1 -4.794 16.731 2.615 1.00 0.00 C ATOM 87 O GLY A 1 -5.151 17.817 2.203 1.00 0.00 O ATOM 0 H GLY A 1 -5.900 14.526 2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.328 16.663 4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.902 15.720 4.523 1.00 0.00 H new ATOM 91 N SER A 2 -3.735 16.138 2.133 1.00 0.00 N ATOM 92 CA SER A 2 -2.939 16.789 1.060 1.00 0.00 C ATOM 93 C SER A 2 -2.332 15.708 0.165 1.00 0.00 C ATOM 94 O SER A 2 -1.487 14.942 0.584 1.00 0.00 O ATOM 95 CB SER A 2 -1.825 17.623 1.688 1.00 0.00 C ATOM 96 OG SER A 2 -1.269 18.484 0.705 1.00 0.00 O ATOM 0 H SER A 2 -3.388 15.229 2.439 1.00 0.00 H new ATOM 0 HA SER A 2 -3.581 17.439 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.218 18.208 2.519 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.052 16.971 2.095 1.00 0.00 H new ATOM 0 HG SER A 2 -0.555 19.021 1.107 1.00 0.00 H new ATOM 102 N ALA A 3 -2.761 15.635 -1.064 1.00 0.00 N ATOM 103 CA ALA A 3 -2.218 14.600 -1.986 1.00 0.00 C ATOM 104 C ALA A 3 -0.749 14.891 -2.299 1.00 0.00 C ATOM 105 O ALA A 3 0.048 13.990 -2.467 1.00 0.00 O ATOM 106 CB ALA A 3 -3.026 14.605 -3.284 1.00 0.00 C ATOM 0 H ALA A 3 -3.466 16.250 -1.470 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.292 13.623 -1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.631 13.848 -3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.070 14.385 -3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.954 15.586 -3.754 1.00 0.00 H new ATOM 112 N LYS A 4 -0.386 16.140 -2.393 1.00 0.00 N ATOM 113 CA LYS A 4 1.031 16.475 -2.712 1.00 0.00 C ATOM 114 C LYS A 4 1.949 15.911 -1.625 1.00 0.00 C ATOM 115 O LYS A 4 2.913 15.228 -1.910 1.00 0.00 O ATOM 116 CB LYS A 4 1.211 17.998 -2.780 1.00 0.00 C ATOM 117 CG LYS A 4 -0.065 18.706 -2.318 1.00 0.00 C ATOM 118 CD LYS A 4 -1.141 18.601 -3.404 1.00 0.00 C ATOM 119 CE LYS A 4 -2.528 18.546 -2.754 1.00 0.00 C ATOM 120 NZ LYS A 4 -2.832 19.862 -2.125 1.00 0.00 N ATOM 0 H LYS A 4 -1.005 16.940 -2.264 1.00 0.00 H new ATOM 0 HA LYS A 4 1.287 16.038 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.050 18.300 -2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.452 18.297 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.425 18.258 -1.392 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.147 19.753 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.078 19.457 -4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.976 17.709 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.283 18.305 -3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.559 17.756 -2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.821 19.873 -1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.201 20.012 -1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.686 20.621 -2.821 1.00 0.00 H new ATOM 134 N LYS A 5 1.662 16.190 -0.383 1.00 0.00 N ATOM 135 CA LYS A 5 2.522 15.669 0.713 1.00 0.00 C ATOM 136 C LYS A 5 2.497 14.140 0.701 1.00 0.00 C ATOM 137 O LYS A 5 3.509 13.489 0.868 1.00 0.00 O ATOM 138 CB LYS A 5 1.990 16.175 2.051 1.00 0.00 C ATOM 139 CG LYS A 5 2.099 17.700 2.100 1.00 0.00 C ATOM 140 CD LYS A 5 1.683 18.197 3.486 1.00 0.00 C ATOM 141 CE LYS A 5 1.678 19.728 3.499 1.00 0.00 C ATOM 142 NZ LYS A 5 2.282 20.216 4.771 1.00 0.00 N ATOM 0 H LYS A 5 0.869 16.756 -0.081 1.00 0.00 H new ATOM 0 HA LYS A 5 3.546 16.014 0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.952 15.870 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.557 15.733 2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.121 18.009 1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.462 18.146 1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.693 17.817 3.738 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.371 17.819 4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.239 20.111 2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.658 20.100 3.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.279 21.256 4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.729 19.861 5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.261 19.872 4.845 1.00 0.00 H new ATOM 156 N GLY A 6 1.345 13.565 0.507 1.00 0.00 N ATOM 157 CA GLY A 6 1.244 12.078 0.485 1.00 0.00 C ATOM 158 C GLY A 6 2.033 11.523 -0.700 1.00 0.00 C ATOM 159 O GLY A 6 2.623 10.463 -0.625 1.00 0.00 O ATOM 0 H GLY A 6 0.465 14.061 0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.630 11.664 1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.199 11.776 0.411 1.00 0.00 H new ATOM 163 N ALA A 7 2.040 12.225 -1.798 1.00 0.00 N ATOM 164 CA ALA A 7 2.782 11.732 -2.991 1.00 0.00 C ATOM 165 C ALA A 7 4.268 11.603 -2.658 1.00 0.00 C ATOM 166 O ALA A 7 4.925 10.663 -3.057 1.00 0.00 O ATOM 167 CB ALA A 7 2.603 12.718 -4.145 1.00 0.00 C ATOM 0 H ALA A 7 1.564 13.119 -1.921 1.00 0.00 H new ATOM 0 HA ALA A 7 2.392 10.756 -3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.146 12.358 -5.019 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.544 12.807 -4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.991 13.694 -3.853 1.00 0.00 H new ATOM 173 N THR A 8 4.807 12.543 -1.932 1.00 0.00 N ATOM 174 CA THR A 8 6.249 12.472 -1.581 1.00 0.00 C ATOM 175 C THR A 8 6.475 11.385 -0.528 1.00 0.00 C ATOM 176 O THR A 8 7.505 10.742 -0.500 1.00 0.00 O ATOM 177 CB THR A 8 6.698 13.822 -1.026 1.00 0.00 C ATOM 178 OG1 THR A 8 6.070 14.051 0.227 1.00 0.00 O ATOM 179 CG2 THR A 8 6.313 14.933 -2.004 1.00 0.00 C ATOM 0 H THR A 8 4.310 13.356 -1.568 1.00 0.00 H new ATOM 0 HA THR A 8 6.827 12.230 -2.473 1.00 0.00 H new ATOM 0 HB THR A 8 7.780 13.818 -0.894 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.137 13.755 0.184 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.634 15.896 -1.606 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.798 14.757 -2.964 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.232 14.939 -2.140 1.00 0.00 H new ATOM 187 N LEU A 9 5.524 11.174 0.341 1.00 0.00 N ATOM 188 CA LEU A 9 5.697 10.129 1.387 1.00 0.00 C ATOM 189 C LEU A 9 5.974 8.788 0.710 1.00 0.00 C ATOM 190 O LEU A 9 6.861 8.051 1.098 1.00 0.00 O ATOM 191 CB LEU A 9 4.417 10.033 2.216 1.00 0.00 C ATOM 192 CG LEU A 9 4.631 9.057 3.371 1.00 0.00 C ATOM 193 CD1 LEU A 9 5.711 9.606 4.304 1.00 0.00 C ATOM 194 CD2 LEU A 9 3.322 8.899 4.148 1.00 0.00 C ATOM 0 H LEU A 9 4.638 11.679 0.371 1.00 0.00 H new ATOM 0 HA LEU A 9 6.532 10.387 2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.146 11.016 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.590 9.697 1.590 1.00 0.00 H new ATOM 0 HG LEU A 9 4.944 8.089 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.866 8.911 5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.643 9.726 3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.395 10.572 4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.471 8.203 4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.013 9.868 4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.549 8.514 3.483 1.00 0.00 H new ATOM 206 N PHE A 10 5.233 8.477 -0.314 1.00 0.00 N ATOM 207 CA PHE A 10 5.459 7.198 -1.038 1.00 0.00 C ATOM 208 C PHE A 10 6.866 7.199 -1.627 1.00 0.00 C ATOM 209 O PHE A 10 7.587 6.223 -1.557 1.00 0.00 O ATOM 210 CB PHE A 10 4.436 7.074 -2.173 1.00 0.00 C ATOM 211 CG PHE A 10 4.780 5.888 -3.044 1.00 0.00 C ATOM 212 CD1 PHE A 10 5.813 5.993 -3.985 1.00 0.00 C ATOM 213 CD2 PHE A 10 4.068 4.687 -2.919 1.00 0.00 C ATOM 214 CE1 PHE A 10 6.135 4.901 -4.797 1.00 0.00 C ATOM 215 CE2 PHE A 10 4.392 3.593 -3.735 1.00 0.00 C ATOM 216 CZ PHE A 10 5.427 3.700 -4.673 1.00 0.00 C ATOM 0 H PHE A 10 4.478 9.056 -0.682 1.00 0.00 H new ATOM 0 HA PHE A 10 5.348 6.360 -0.350 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.434 6.956 -1.761 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.429 7.986 -2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.361 6.918 -4.083 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.271 4.604 -2.195 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.932 4.985 -5.521 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.843 2.668 -3.640 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.678 2.857 -5.300 1.00 0.00 H new ATOM 226 N LYS A 11 7.252 8.290 -2.226 1.00 0.00 N ATOM 227 CA LYS A 11 8.597 8.371 -2.845 1.00 0.00 C ATOM 228 C LYS A 11 9.693 8.229 -1.787 1.00 0.00 C ATOM 229 O LYS A 11 10.749 7.686 -2.045 1.00 0.00 O ATOM 230 CB LYS A 11 8.748 9.724 -3.542 1.00 0.00 C ATOM 231 CG LYS A 11 7.719 9.843 -4.666 1.00 0.00 C ATOM 232 CD LYS A 11 7.973 11.128 -5.458 1.00 0.00 C ATOM 233 CE LYS A 11 6.872 11.311 -6.502 1.00 0.00 C ATOM 234 NZ LYS A 11 5.723 12.036 -5.890 1.00 0.00 N ATOM 0 H LYS A 11 6.686 9.134 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 11 8.698 7.559 -3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.610 10.532 -2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.755 9.825 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.784 8.978 -5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.711 9.852 -4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.995 11.984 -4.784 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.947 11.081 -5.946 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.255 11.870 -7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.546 10.341 -6.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.935 12.072 -6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.418 11.539 -5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.014 13.004 -5.646 1.00 0.00 H new ATOM 248 N THR A 12 9.470 8.741 -0.611 1.00 0.00 N ATOM 249 CA THR A 12 10.517 8.666 0.443 1.00 0.00 C ATOM 250 C THR A 12 10.334 7.429 1.327 1.00 0.00 C ATOM 251 O THR A 12 11.025 7.272 2.314 1.00 0.00 O ATOM 252 CB THR A 12 10.428 9.921 1.312 1.00 0.00 C ATOM 253 OG1 THR A 12 9.164 9.958 1.960 1.00 0.00 O ATOM 254 CG2 THR A 12 10.594 11.165 0.438 1.00 0.00 C ATOM 0 H THR A 12 8.607 9.209 -0.334 1.00 0.00 H new ATOM 0 HA THR A 12 11.492 8.596 -0.040 1.00 0.00 H new ATOM 0 HB THR A 12 11.220 9.901 2.061 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.484 10.279 1.332 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.530 12.058 1.060 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.565 11.136 -0.056 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.805 11.189 -0.314 1.00 0.00 H new ATOM 262 N ARG A 13 9.414 6.554 1.009 1.00 0.00 N ATOM 263 CA ARG A 13 9.228 5.354 1.880 1.00 0.00 C ATOM 264 C ARG A 13 8.962 4.089 1.053 1.00 0.00 C ATOM 265 O ARG A 13 9.754 3.169 1.051 1.00 0.00 O ATOM 266 CB ARG A 13 8.054 5.596 2.828 1.00 0.00 C ATOM 267 CG ARG A 13 8.421 6.702 3.819 1.00 0.00 C ATOM 268 CD ARG A 13 7.321 6.830 4.874 1.00 0.00 C ATOM 269 NE ARG A 13 7.621 7.982 5.771 1.00 0.00 N ATOM 270 CZ ARG A 13 8.455 7.834 6.764 1.00 0.00 C ATOM 271 NH1 ARG A 13 9.027 6.680 6.969 1.00 0.00 N ATOM 272 NH2 ARG A 13 8.715 8.841 7.553 1.00 0.00 N ATOM 0 H ARG A 13 8.795 6.615 0.201 1.00 0.00 H new ATOM 0 HA ARG A 13 10.148 5.200 2.444 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.167 5.880 2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.810 4.679 3.364 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.373 6.474 4.298 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.547 7.648 3.293 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.355 6.974 4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.252 5.911 5.456 1.00 0.00 H new ATOM 0 HE ARG A 13 7.175 8.885 5.609 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.823 5.893 6.353 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.679 6.565 7.745 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.266 9.743 7.393 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.367 8.726 8.329 1.00 0.00 H new ATOM 286 N CYS A 14 7.848 4.016 0.378 1.00 0.00 N ATOM 287 CA CYS A 14 7.543 2.782 -0.406 1.00 0.00 C ATOM 288 C CYS A 14 8.535 2.622 -1.563 1.00 0.00 C ATOM 289 O CYS A 14 8.846 1.521 -1.974 1.00 0.00 O ATOM 290 CB CYS A 14 6.117 2.849 -0.959 1.00 0.00 C ATOM 291 SG CYS A 14 5.014 3.767 0.165 1.00 0.00 S ATOM 0 H CYS A 14 7.140 4.749 0.334 1.00 0.00 H new ATOM 0 HA CYS A 14 7.633 1.922 0.258 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.126 3.331 -1.937 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.733 1.839 -1.104 1.00 0.00 H new ATOM 0 HG CYS A 14 4.255 4.563 -0.527 1.00 0.00 H new ATOM 296 N LEU A 15 9.034 3.701 -2.098 1.00 0.00 N ATOM 297 CA LEU A 15 9.999 3.592 -3.232 1.00 0.00 C ATOM 298 C LEU A 15 11.193 2.725 -2.824 1.00 0.00 C ATOM 299 O LEU A 15 11.749 2.002 -3.628 1.00 0.00 O ATOM 300 CB LEU A 15 10.494 4.985 -3.619 1.00 0.00 C ATOM 301 CG LEU A 15 11.431 4.888 -4.829 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.642 4.430 -6.058 1.00 0.00 C ATOM 303 CD2 LEU A 15 12.045 6.262 -5.104 1.00 0.00 C ATOM 0 H LEU A 15 8.817 4.653 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 15 9.496 3.132 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.647 5.629 -3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.017 5.441 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 15 12.221 4.167 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.311 4.362 -6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.201 3.452 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.851 5.149 -6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.712 6.197 -5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.252 6.980 -5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.609 6.590 -4.231 1.00 0.00 H new ATOM 315 N GLN A 16 11.604 2.802 -1.590 1.00 0.00 N ATOM 316 CA GLN A 16 12.776 1.997 -1.144 1.00 0.00 C ATOM 317 C GLN A 16 12.533 0.506 -1.405 1.00 0.00 C ATOM 318 O GLN A 16 13.441 -0.217 -1.763 1.00 0.00 O ATOM 319 CB GLN A 16 13.000 2.217 0.353 1.00 0.00 C ATOM 320 CG GLN A 16 13.383 3.677 0.603 1.00 0.00 C ATOM 321 CD GLN A 16 13.559 3.909 2.105 1.00 0.00 C ATOM 322 OE1 GLN A 16 13.119 3.112 2.910 1.00 0.00 O ATOM 323 NE2 GLN A 16 14.188 4.975 2.519 1.00 0.00 N ATOM 0 H GLN A 16 11.180 3.387 -0.870 1.00 0.00 H new ATOM 0 HA GLN A 16 13.655 2.315 -1.705 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.095 1.967 0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.788 1.556 0.715 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.307 3.917 0.077 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.611 4.339 0.210 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.557 5.644 1.843 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.310 5.139 3.518 1.00 0.00 H new ATOM 332 N CYS A 17 11.327 0.036 -1.219 1.00 0.00 N ATOM 333 CA CYS A 17 11.047 -1.415 -1.446 1.00 0.00 C ATOM 334 C CYS A 17 10.126 -1.602 -2.654 1.00 0.00 C ATOM 335 O CYS A 17 10.363 -2.443 -3.499 1.00 0.00 O ATOM 336 CB CYS A 17 10.382 -2.001 -0.200 1.00 0.00 C ATOM 337 SG CYS A 17 11.512 -1.860 1.216 1.00 0.00 S ATOM 0 H CYS A 17 10.525 0.592 -0.921 1.00 0.00 H new ATOM 0 HA CYS A 17 11.987 -1.930 -1.642 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.452 -1.474 0.010 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.124 -3.046 -0.370 1.00 0.00 H new ATOM 0 HG CYS A 17 10.945 -2.356 2.275 1.00 0.00 H new ATOM 342 N HIS A 18 9.075 -0.839 -2.741 1.00 0.00 N ATOM 343 CA HIS A 18 8.142 -0.994 -3.896 1.00 0.00 C ATOM 344 C HIS A 18 8.520 -0.018 -5.006 1.00 0.00 C ATOM 345 O HIS A 18 9.072 1.033 -4.760 1.00 0.00 O ATOM 346 CB HIS A 18 6.710 -0.675 -3.464 1.00 0.00 C ATOM 347 CG HIS A 18 6.259 -1.610 -2.381 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.906 -2.932 -2.632 1.00 0.00 N ATOM 349 CD2 HIS A 18 6.046 -1.409 -1.044 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.492 -3.465 -1.464 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.558 -2.574 -0.475 1.00 0.00 N ATOM 0 H HIS A 18 8.820 -0.117 -2.067 1.00 0.00 H new ATOM 0 HA HIS A 18 8.211 -2.022 -4.251 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.653 0.354 -3.109 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.041 -0.754 -4.321 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.952 -3.410 -3.532 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.230 -0.486 -0.515 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.151 -4.483 -1.346 1.00 0.00 H new ATOM 359 N THR A 19 8.199 -0.352 -6.224 1.00 0.00 N ATOM 360 CA THR A 19 8.505 0.563 -7.359 1.00 0.00 C ATOM 361 C THR A 19 7.192 0.943 -8.042 1.00 0.00 C ATOM 362 O THR A 19 6.316 0.121 -8.220 1.00 0.00 O ATOM 363 CB THR A 19 9.399 -0.138 -8.373 1.00 0.00 C ATOM 364 OG1 THR A 19 10.419 -0.856 -7.694 1.00 0.00 O ATOM 365 CG2 THR A 19 10.034 0.903 -9.296 1.00 0.00 C ATOM 0 H THR A 19 7.736 -1.223 -6.484 1.00 0.00 H new ATOM 0 HA THR A 19 9.017 1.449 -6.983 1.00 0.00 H new ATOM 0 HB THR A 19 8.802 -0.833 -8.964 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.992 -1.308 -8.348 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.674 0.403 -10.023 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.251 1.451 -9.819 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.630 1.598 -8.705 1.00 0.00 H new ATOM 373 N VAL A 20 7.046 2.176 -8.421 1.00 0.00 N ATOM 374 CA VAL A 20 5.786 2.605 -9.086 1.00 0.00 C ATOM 375 C VAL A 20 5.652 1.898 -10.436 1.00 0.00 C ATOM 376 O VAL A 20 4.590 1.439 -10.805 1.00 0.00 O ATOM 377 CB VAL A 20 5.839 4.111 -9.308 1.00 0.00 C ATOM 378 CG1 VAL A 20 4.474 4.611 -9.781 1.00 0.00 C ATOM 379 CG2 VAL A 20 6.222 4.790 -7.996 1.00 0.00 C ATOM 0 H VAL A 20 7.745 2.909 -8.300 1.00 0.00 H new ATOM 0 HA VAL A 20 4.931 2.349 -8.460 1.00 0.00 H new ATOM 0 HB VAL A 20 6.581 4.348 -10.071 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.516 5.689 -9.939 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.210 4.117 -10.716 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.722 4.384 -9.026 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.263 5.869 -8.143 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.478 4.556 -7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.199 4.431 -7.672 1.00 0.00 H new ATOM 389 N GLU A 21 6.721 1.810 -11.178 1.00 0.00 N ATOM 390 CA GLU A 21 6.650 1.136 -12.503 1.00 0.00 C ATOM 391 C GLU A 21 6.144 -0.293 -12.318 1.00 0.00 C ATOM 392 O GLU A 21 6.465 -0.956 -11.352 1.00 0.00 O ATOM 393 CB GLU A 21 8.041 1.107 -13.138 1.00 0.00 C ATOM 394 CG GLU A 21 8.514 2.539 -13.393 1.00 0.00 C ATOM 395 CD GLU A 21 9.881 2.512 -14.078 1.00 0.00 C ATOM 396 OE1 GLU A 21 10.461 1.442 -14.157 1.00 0.00 O ATOM 397 OE2 GLU A 21 10.325 3.563 -14.512 1.00 0.00 O ATOM 0 H GLU A 21 7.639 2.175 -10.924 1.00 0.00 H new ATOM 0 HA GLU A 21 5.967 1.683 -13.153 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.742 0.593 -12.481 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.014 0.549 -14.074 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.793 3.065 -14.018 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.578 3.085 -12.452 1.00 0.00 H new ATOM 404 N LYS A 22 5.357 -0.774 -13.238 1.00 0.00 N ATOM 405 CA LYS A 22 4.835 -2.162 -13.112 1.00 0.00 C ATOM 406 C LYS A 22 5.875 -3.141 -13.655 1.00 0.00 C ATOM 407 O LYS A 22 6.493 -2.904 -14.674 1.00 0.00 O ATOM 408 CB LYS A 22 3.537 -2.297 -13.911 1.00 0.00 C ATOM 409 CG LYS A 22 2.463 -1.395 -13.298 1.00 0.00 C ATOM 410 CD LYS A 22 1.133 -1.623 -14.018 1.00 0.00 C ATOM 411 CE LYS A 22 0.088 -0.644 -13.480 1.00 0.00 C ATOM 412 NZ LYS A 22 0.382 0.725 -13.989 1.00 0.00 N ATOM 0 H LYS A 22 5.053 -0.268 -14.070 1.00 0.00 H new ATOM 0 HA LYS A 22 4.636 -2.384 -12.064 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.708 -2.021 -14.952 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.201 -3.334 -13.907 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.355 -1.611 -12.235 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.760 -0.350 -13.382 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.260 -1.483 -15.092 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.797 -2.649 -13.868 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.910 -0.953 -13.792 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.097 -0.648 -12.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.374 1.375 -13.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.290 1.052 -13.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.436 0.705 -15.027 1.00 0.00 H new ATOM 426 N GLY A 23 6.075 -4.239 -12.982 1.00 0.00 N ATOM 427 CA GLY A 23 7.080 -5.230 -13.460 1.00 0.00 C ATOM 428 C GLY A 23 8.478 -4.796 -13.015 1.00 0.00 C ATOM 429 O GLY A 23 9.469 -5.136 -13.630 1.00 0.00 O ATOM 0 H GLY A 23 5.587 -4.493 -12.123 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.850 -6.218 -13.061 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.041 -5.308 -14.546 1.00 0.00 H new ATOM 433 N GLY A 24 8.566 -4.043 -11.952 1.00 0.00 N ATOM 434 CA GLY A 24 9.900 -3.585 -11.470 1.00 0.00 C ATOM 435 C GLY A 24 10.740 -4.793 -11.049 1.00 0.00 C ATOM 436 O GLY A 24 10.227 -5.872 -10.824 1.00 0.00 O ATOM 0 H GLY A 24 7.772 -3.725 -11.397 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.411 -3.031 -12.257 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.779 -2.903 -10.628 1.00 0.00 H new ATOM 440 N PRO A 25 12.028 -4.605 -10.954 1.00 0.00 N ATOM 441 CA PRO A 25 12.985 -5.685 -10.565 1.00 0.00 C ATOM 442 C PRO A 25 12.696 -6.272 -9.178 1.00 0.00 C ATOM 443 O PRO A 25 13.169 -7.338 -8.841 1.00 0.00 O ATOM 444 CB PRO A 25 14.357 -4.999 -10.576 1.00 0.00 C ATOM 445 CG PRO A 25 14.083 -3.530 -10.560 1.00 0.00 C ATOM 446 CD PRO A 25 12.715 -3.333 -11.205 1.00 0.00 C ATOM 0 HA PRO A 25 12.915 -6.531 -11.249 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.948 -5.295 -9.709 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.927 -5.280 -11.462 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.089 -3.146 -9.540 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.852 -2.987 -11.109 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.180 -2.494 -10.761 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.801 -3.128 -12.272 1.00 0.00 H new ATOM 454 N HIS A 26 11.936 -5.584 -8.367 1.00 0.00 N ATOM 455 CA HIS A 26 11.635 -6.110 -7.001 1.00 0.00 C ATOM 456 C HIS A 26 12.947 -6.319 -6.241 1.00 0.00 C ATOM 457 O HIS A 26 13.182 -7.366 -5.671 1.00 0.00 O ATOM 458 CB HIS A 26 10.910 -7.455 -7.106 1.00 0.00 C ATOM 459 CG HIS A 26 9.773 -7.348 -8.070 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.624 -6.622 -7.792 1.00 0.00 N ATOM 461 CD2 HIS A 26 9.590 -7.886 -9.310 1.00 0.00 C ATOM 462 CE1 HIS A 26 7.805 -6.744 -8.854 1.00 0.00 C ATOM 463 NE2 HIS A 26 8.350 -7.505 -9.806 1.00 0.00 N ATOM 0 H HIS A 26 11.512 -4.684 -8.589 1.00 0.00 H new ATOM 0 HA HIS A 26 11.003 -5.394 -6.476 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.605 -8.228 -7.435 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.540 -7.756 -6.126 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.301 -8.513 -9.827 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.830 -6.284 -8.926 1.00 0.00 H new ATOM 0 HE2 HIS A 26 7.942 -7.754 -10.707 1.00 0.00 H new ATOM 472 N LYS A 27 13.814 -5.344 -6.240 1.00 0.00 N ATOM 473 CA LYS A 27 15.114 -5.511 -5.528 1.00 0.00 C ATOM 474 C LYS A 27 14.868 -5.911 -4.071 1.00 0.00 C ATOM 475 O LYS A 27 15.488 -6.820 -3.557 1.00 0.00 O ATOM 476 CB LYS A 27 15.886 -4.191 -5.569 1.00 0.00 C ATOM 477 CG LYS A 27 17.258 -4.385 -4.922 1.00 0.00 C ATOM 478 CD LYS A 27 18.012 -3.055 -4.911 1.00 0.00 C ATOM 479 CE LYS A 27 19.440 -3.279 -4.411 1.00 0.00 C ATOM 480 NZ LYS A 27 20.073 -4.378 -5.195 1.00 0.00 N ATOM 0 H LYS A 27 13.680 -4.443 -6.699 1.00 0.00 H new ATOM 0 HA LYS A 27 15.693 -6.294 -6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.002 -3.857 -6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.330 -3.415 -5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.142 -4.757 -3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.828 -5.133 -5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 27 18.030 -2.627 -5.913 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.499 -2.340 -4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 27 20.021 -2.363 -4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.430 -3.533 -3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 21.108 -4.284 -5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.792 -5.296 -4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.761 -4.322 -6.186 1.00 0.00 H new ATOM 494 N VAL A 28 13.969 -5.246 -3.400 1.00 0.00 N ATOM 495 CA VAL A 28 13.691 -5.600 -1.979 1.00 0.00 C ATOM 496 C VAL A 28 12.434 -6.470 -1.900 1.00 0.00 C ATOM 497 O VAL A 28 12.503 -7.657 -1.650 1.00 0.00 O ATOM 498 CB VAL A 28 13.484 -4.324 -1.164 1.00 0.00 C ATOM 499 CG1 VAL A 28 14.049 -4.520 0.244 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.209 -3.162 -1.846 1.00 0.00 C ATOM 0 H VAL A 28 13.416 -4.474 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 28 14.538 -6.154 -1.574 1.00 0.00 H new ATOM 0 HB VAL A 28 12.419 -4.102 -1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.901 -3.610 0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.534 -5.349 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.114 -4.741 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.062 -2.251 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.274 -3.385 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.808 -3.022 -2.850 1.00 0.00 H new ATOM 510 N GLY A 29 11.286 -5.883 -2.111 1.00 0.00 N ATOM 511 CA GLY A 29 10.016 -6.662 -2.050 1.00 0.00 C ATOM 512 C GLY A 29 9.224 -6.435 -3.335 1.00 0.00 C ATOM 513 O GLY A 29 9.551 -5.574 -4.128 1.00 0.00 O ATOM 0 H GLY A 29 11.173 -4.892 -2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.232 -7.723 -1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.427 -6.353 -1.187 1.00 0.00 H new ATOM 517 N PRO A 30 8.182 -7.195 -3.538 1.00 0.00 N ATOM 518 CA PRO A 30 7.333 -7.058 -4.743 1.00 0.00 C ATOM 519 C PRO A 30 7.019 -5.592 -5.020 1.00 0.00 C ATOM 520 O PRO A 30 6.944 -4.784 -4.116 1.00 0.00 O ATOM 521 CB PRO A 30 6.051 -7.826 -4.411 1.00 0.00 C ATOM 522 CG PRO A 30 6.314 -8.613 -3.161 1.00 0.00 C ATOM 523 CD PRO A 30 7.713 -8.256 -2.644 1.00 0.00 C ATOM 0 HA PRO A 30 7.827 -7.444 -5.635 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.218 -7.138 -4.264 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.776 -8.489 -5.232 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.562 -8.386 -2.405 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.247 -9.682 -3.366 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.677 -7.915 -1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.378 -9.120 -2.672 1.00 0.00 H new ATOM 531 N ASN A 31 6.850 -5.232 -6.257 1.00 0.00 N ATOM 532 CA ASN A 31 6.562 -3.811 -6.569 1.00 0.00 C ATOM 533 C ASN A 31 5.051 -3.598 -6.661 1.00 0.00 C ATOM 534 O ASN A 31 4.339 -4.333 -7.317 1.00 0.00 O ATOM 535 CB ASN A 31 7.250 -3.443 -7.880 1.00 0.00 C ATOM 536 CG ASN A 31 8.741 -3.748 -7.743 1.00 0.00 C ATOM 537 OD1 ASN A 31 9.397 -4.090 -8.706 1.00 0.00 O ATOM 538 ND2 ASN A 31 9.305 -3.648 -6.568 1.00 0.00 N ATOM 0 H ASN A 31 6.899 -5.857 -7.062 1.00 0.00 H new ATOM 0 HA ASN A 31 6.945 -3.167 -5.778 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.821 -4.010 -8.706 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.098 -2.387 -8.105 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.297 -3.857 -6.459 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.753 -3.361 -5.760 1.00 0.00 H new ATOM 545 N LEU A 32 4.564 -2.604 -5.974 1.00 0.00 N ATOM 546 CA LEU A 32 3.102 -2.319 -5.961 1.00 0.00 C ATOM 547 C LEU A 32 2.676 -1.643 -7.266 1.00 0.00 C ATOM 548 O LEU A 32 3.209 -1.915 -8.323 1.00 0.00 O ATOM 549 CB LEU A 32 2.814 -1.379 -4.790 1.00 0.00 C ATOM 550 CG LEU A 32 1.435 -1.675 -4.204 1.00 0.00 C ATOM 551 CD1 LEU A 32 1.447 -3.061 -3.545 1.00 0.00 C ATOM 552 CD2 LEU A 32 1.098 -0.611 -3.156 1.00 0.00 C ATOM 0 H LEU A 32 5.127 -1.966 -5.411 1.00 0.00 H new ATOM 0 HA LEU A 32 2.547 -3.252 -5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.577 -1.499 -4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.860 -0.343 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 32 0.686 -1.659 -4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.463 -3.273 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.695 -3.816 -4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.192 -3.079 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.115 -0.816 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.846 -0.632 -2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.094 0.373 -3.625 1.00 0.00 H new ATOM 564 N HIS A 33 1.717 -0.753 -7.185 1.00 0.00 N ATOM 565 CA HIS A 33 1.234 -0.025 -8.396 1.00 0.00 C ATOM 566 C HIS A 33 0.169 -0.838 -9.144 1.00 0.00 C ATOM 567 O HIS A 33 0.479 -1.759 -9.874 1.00 0.00 O ATOM 568 CB HIS A 33 2.407 0.255 -9.338 1.00 0.00 C ATOM 569 CG HIS A 33 2.141 1.527 -10.096 1.00 0.00 C ATOM 570 ND1 HIS A 33 1.993 1.550 -11.476 1.00 0.00 N ATOM 571 CD2 HIS A 33 1.990 2.827 -9.680 1.00 0.00 C ATOM 572 CE1 HIS A 33 1.764 2.826 -11.838 1.00 0.00 C ATOM 573 NE2 HIS A 33 1.753 3.640 -10.781 1.00 0.00 N ATOM 0 H HIS A 33 1.243 -0.498 -6.318 1.00 0.00 H new ATOM 0 HA HIS A 33 0.788 0.914 -8.067 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.333 0.344 -8.769 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.538 -0.575 -10.032 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.047 3.165 -8.656 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.609 3.150 -12.856 1.00 0.00 H new ATOM 0 HE2 HIS A 33 1.602 4.649 -10.781 1.00 0.00 H new ATOM 582 N GLY A 34 -1.083 -0.477 -9.000 1.00 0.00 N ATOM 583 CA GLY A 34 -2.161 -1.199 -9.741 1.00 0.00 C ATOM 584 C GLY A 34 -2.862 -2.248 -8.866 1.00 0.00 C ATOM 585 O GLY A 34 -3.630 -3.047 -9.363 1.00 0.00 O ATOM 0 H GLY A 34 -1.403 0.285 -8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.896 -0.480 -10.102 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.734 -1.686 -10.618 1.00 0.00 H new ATOM 589 N ILE A 35 -2.624 -2.273 -7.583 1.00 0.00 N ATOM 590 CA ILE A 35 -3.312 -3.299 -6.745 1.00 0.00 C ATOM 591 C ILE A 35 -4.694 -2.807 -6.304 1.00 0.00 C ATOM 592 O ILE A 35 -5.517 -3.582 -5.867 1.00 0.00 O ATOM 593 CB ILE A 35 -2.478 -3.636 -5.510 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.283 -2.386 -4.645 1.00 0.00 C ATOM 595 CG2 ILE A 35 -1.120 -4.175 -5.949 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.733 -2.797 -3.281 1.00 0.00 C ATOM 0 H ILE A 35 -1.996 -1.642 -7.085 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.431 -4.195 -7.353 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.999 -4.391 -4.922 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.596 -1.695 -5.134 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.231 -1.861 -4.525 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.523 -4.416 -5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.262 -5.074 -6.549 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.604 -3.420 -6.542 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.593 -1.910 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.436 -3.472 -2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.776 -3.303 -3.412 1.00 0.00 H new ATOM 608 N PHE A 36 -4.954 -1.535 -6.401 1.00 0.00 N ATOM 609 CA PHE A 36 -6.284 -1.016 -5.967 1.00 0.00 C ATOM 610 C PHE A 36 -7.406 -1.767 -6.694 1.00 0.00 C ATOM 611 O PHE A 36 -8.494 -1.918 -6.177 1.00 0.00 O ATOM 612 CB PHE A 36 -6.382 0.480 -6.280 1.00 0.00 C ATOM 613 CG PHE A 36 -5.651 1.275 -5.221 1.00 0.00 C ATOM 614 CD1 PHE A 36 -4.252 1.270 -5.178 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.376 2.026 -4.283 1.00 0.00 C ATOM 616 CE1 PHE A 36 -3.578 2.011 -4.200 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.701 2.769 -3.308 1.00 0.00 C ATOM 618 CZ PHE A 36 -4.303 2.761 -3.265 1.00 0.00 C ATOM 0 H PHE A 36 -4.308 -0.832 -6.760 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.390 -1.170 -4.893 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.954 0.684 -7.261 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.428 0.785 -6.319 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.692 0.694 -5.900 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.456 2.031 -4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.499 2.004 -4.166 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.260 3.349 -2.588 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.783 3.333 -2.511 1.00 0.00 H new ATOM 628 N GLY A 37 -7.156 -2.229 -7.890 1.00 0.00 N ATOM 629 CA GLY A 37 -8.216 -2.960 -8.650 1.00 0.00 C ATOM 630 C GLY A 37 -7.890 -4.455 -8.720 1.00 0.00 C ATOM 631 O GLY A 37 -8.344 -5.151 -9.607 1.00 0.00 O ATOM 0 H GLY A 37 -6.264 -2.133 -8.375 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.183 -2.815 -8.168 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.297 -2.552 -9.657 1.00 0.00 H new ATOM 635 N ARG A 38 -7.113 -4.958 -7.798 1.00 0.00 N ATOM 636 CA ARG A 38 -6.767 -6.411 -7.825 1.00 0.00 C ATOM 637 C ARG A 38 -6.967 -7.018 -6.438 1.00 0.00 C ATOM 638 O ARG A 38 -7.262 -6.332 -5.480 1.00 0.00 O ATOM 639 CB ARG A 38 -5.307 -6.592 -8.241 1.00 0.00 C ATOM 640 CG ARG A 38 -5.094 -6.063 -9.663 1.00 0.00 C ATOM 641 CD ARG A 38 -5.619 -7.083 -10.679 1.00 0.00 C ATOM 642 NE ARG A 38 -5.180 -6.688 -12.046 1.00 0.00 N ATOM 643 CZ ARG A 38 -5.872 -5.815 -12.727 1.00 0.00 C ATOM 644 NH1 ARG A 38 -6.951 -5.291 -12.211 1.00 0.00 N ATOM 645 NH2 ARG A 38 -5.486 -5.466 -13.925 1.00 0.00 N ATOM 0 H ARG A 38 -6.703 -4.428 -7.029 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.417 -6.912 -8.543 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.655 -6.063 -7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.035 -7.646 -8.193 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.611 -5.112 -9.788 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.034 -5.875 -9.836 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.246 -8.078 -10.438 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.707 -7.131 -10.634 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.339 -7.099 -12.450 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.253 -5.564 -11.276 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.491 -4.609 -12.743 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.644 -5.876 -14.329 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.027 -4.784 -14.457 1.00 0.00 H new ATOM 659 N HIS A 39 -6.808 -8.307 -6.329 1.00 0.00 N ATOM 660 CA HIS A 39 -6.985 -8.977 -5.012 1.00 0.00 C ATOM 661 C HIS A 39 -5.656 -9.008 -4.265 1.00 0.00 C ATOM 662 O HIS A 39 -4.601 -8.820 -4.838 1.00 0.00 O ATOM 663 CB HIS A 39 -7.478 -10.405 -5.222 1.00 0.00 C ATOM 664 CG HIS A 39 -8.963 -10.392 -5.444 1.00 0.00 C ATOM 665 ND1 HIS A 39 -9.547 -9.642 -6.451 1.00 0.00 N ATOM 666 CD2 HIS A 39 -9.998 -11.035 -4.806 1.00 0.00 C ATOM 667 CE1 HIS A 39 -10.875 -9.847 -6.396 1.00 0.00 C ATOM 668 NE2 HIS A 39 -11.201 -10.686 -5.412 1.00 0.00 N ATOM 0 H HIS A 39 -6.562 -8.928 -7.100 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.718 -8.421 -4.427 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.975 -10.853 -6.079 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.234 -11.017 -4.354 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.893 -11.706 -3.966 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.588 -9.389 -7.065 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.136 -11.005 -5.157 1.00 0.00 H new ATOM 677 N SER A 40 -5.705 -9.235 -2.985 1.00 0.00 N ATOM 678 CA SER A 40 -4.453 -9.272 -2.187 1.00 0.00 C ATOM 679 C SER A 40 -3.558 -10.407 -2.667 1.00 0.00 C ATOM 680 O SER A 40 -3.957 -11.554 -2.714 1.00 0.00 O ATOM 681 CB SER A 40 -4.794 -9.504 -0.717 1.00 0.00 C ATOM 682 OG SER A 40 -4.013 -8.633 0.091 1.00 0.00 O ATOM 0 H SER A 40 -6.562 -9.397 -2.456 1.00 0.00 H new ATOM 0 HA SER A 40 -3.932 -8.322 -2.307 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.855 -9.324 -0.545 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.599 -10.542 -0.446 1.00 0.00 H new ATOM 0 HG SER A 40 -4.412 -7.738 0.087 1.00 0.00 H new ATOM 688 N GLY A 41 -2.339 -10.097 -2.991 1.00 0.00 N ATOM 689 CA GLY A 41 -1.398 -11.157 -3.430 1.00 0.00 C ATOM 690 C GLY A 41 -1.339 -11.256 -4.955 1.00 0.00 C ATOM 691 O GLY A 41 -0.750 -12.176 -5.488 1.00 0.00 O ATOM 0 H GLY A 41 -1.953 -9.153 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.403 -10.946 -3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.708 -12.116 -3.014 1.00 0.00 H new ATOM 695 N GLN A 42 -1.922 -10.329 -5.669 1.00 0.00 N ATOM 696 CA GLN A 42 -1.856 -10.413 -7.159 1.00 0.00 C ATOM 697 C GLN A 42 -0.830 -9.415 -7.698 1.00 0.00 C ATOM 698 O GLN A 42 -0.963 -8.218 -7.531 1.00 0.00 O ATOM 699 CB GLN A 42 -3.229 -10.113 -7.760 1.00 0.00 C ATOM 700 CG GLN A 42 -4.191 -11.241 -7.393 1.00 0.00 C ATOM 701 CD GLN A 42 -5.513 -11.046 -8.136 1.00 0.00 C ATOM 702 OE1 GLN A 42 -5.683 -9.983 -8.873 1.00 0.00 O flip ATOM 703 NE2 GLN A 42 -6.402 -11.869 -8.045 1.00 0.00 N flip ATOM 0 H GLN A 42 -2.433 -9.530 -5.294 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.553 -11.422 -7.440 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.604 -9.161 -7.384 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.153 -10.020 -8.843 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.754 -12.205 -7.653 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.364 -11.250 -6.317 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.270 -12.700 -7.469 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.280 -11.729 -8.545 1.00 0.00 H new ATOM 712 N ALA A 43 0.186 -9.903 -8.356 1.00 0.00 N ATOM 713 CA ALA A 43 1.220 -8.995 -8.927 1.00 0.00 C ATOM 714 C ALA A 43 1.781 -9.613 -10.207 1.00 0.00 C ATOM 715 O ALA A 43 2.077 -10.791 -10.263 1.00 0.00 O ATOM 716 CB ALA A 43 2.359 -8.801 -7.924 1.00 0.00 C ATOM 0 H ALA A 43 0.345 -10.897 -8.523 1.00 0.00 H new ATOM 0 HA ALA A 43 0.765 -8.029 -9.146 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.110 -8.136 -8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.965 -8.363 -7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.814 -9.766 -7.699 1.00 0.00 H new ATOM 722 N GLU A 44 1.942 -8.826 -11.231 1.00 0.00 N ATOM 723 CA GLU A 44 2.497 -9.358 -12.503 1.00 0.00 C ATOM 724 C GLU A 44 4.018 -9.387 -12.399 1.00 0.00 C ATOM 725 O GLU A 44 4.671 -10.298 -12.869 1.00 0.00 O ATOM 726 CB GLU A 44 2.080 -8.453 -13.664 1.00 0.00 C ATOM 727 CG GLU A 44 0.559 -8.499 -13.826 1.00 0.00 C ATOM 728 CD GLU A 44 0.149 -7.654 -15.034 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.002 -6.964 -15.566 1.00 0.00 O ATOM 730 OE2 GLU A 44 -1.012 -7.710 -15.405 1.00 0.00 O ATOM 0 H GLU A 44 1.712 -7.832 -11.241 1.00 0.00 H new ATOM 0 HA GLU A 44 2.117 -10.364 -12.682 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.406 -7.430 -13.477 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.564 -8.778 -14.585 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.228 -9.529 -13.960 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.075 -8.123 -12.925 1.00 0.00 H new ATOM 737 N GLY A 45 4.586 -8.387 -11.783 1.00 0.00 N ATOM 738 CA GLY A 45 6.065 -8.341 -11.641 1.00 0.00 C ATOM 739 C GLY A 45 6.530 -9.505 -10.768 1.00 0.00 C ATOM 740 O GLY A 45 7.361 -10.296 -11.169 1.00 0.00 O ATOM 0 H GLY A 45 4.087 -7.599 -11.371 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.537 -8.397 -12.622 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.369 -7.394 -11.195 1.00 0.00 H new ATOM 744 N TYR A 46 6.003 -9.624 -9.579 1.00 0.00 N ATOM 745 CA TYR A 46 6.428 -10.747 -8.700 1.00 0.00 C ATOM 746 C TYR A 46 5.260 -11.244 -7.854 1.00 0.00 C ATOM 747 O TYR A 46 4.490 -10.472 -7.319 1.00 0.00 O ATOM 748 CB TYR A 46 7.564 -10.290 -7.781 1.00 0.00 C ATOM 749 CG TYR A 46 7.706 -11.261 -6.629 1.00 0.00 C ATOM 750 CD1 TYR A 46 7.771 -12.640 -6.870 1.00 0.00 C ATOM 751 CD2 TYR A 46 7.770 -10.780 -5.314 1.00 0.00 C ATOM 752 CE1 TYR A 46 7.898 -13.533 -5.800 1.00 0.00 C ATOM 753 CE2 TYR A 46 7.895 -11.674 -4.245 1.00 0.00 C ATOM 754 CZ TYR A 46 7.960 -13.050 -4.487 1.00 0.00 C ATOM 755 OH TYR A 46 8.084 -13.931 -3.432 1.00 0.00 O ATOM 0 H TYR A 46 5.303 -8.997 -9.182 1.00 0.00 H new ATOM 0 HA TYR A 46 6.775 -11.563 -9.333 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.498 -10.234 -8.340 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.359 -9.289 -7.403 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.723 -13.014 -7.882 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.723 -9.718 -5.126 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.948 -14.596 -5.987 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.941 -11.301 -3.232 1.00 0.00 H new ATOM 0 HH TYR A 46 8.114 -13.431 -2.590 1.00 0.00 H new ATOM 765 N SER A 47 5.137 -12.535 -7.714 1.00 0.00 N ATOM 766 CA SER A 47 4.036 -13.087 -6.886 1.00 0.00 C ATOM 767 C SER A 47 4.336 -12.795 -5.417 1.00 0.00 C ATOM 768 O SER A 47 5.452 -12.937 -4.960 1.00 0.00 O ATOM 769 CB SER A 47 3.940 -14.598 -7.100 1.00 0.00 C ATOM 770 OG SER A 47 3.688 -14.862 -8.474 1.00 0.00 O ATOM 0 H SER A 47 5.753 -13.229 -8.138 1.00 0.00 H new ATOM 0 HA SER A 47 3.090 -12.628 -7.171 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.866 -15.081 -6.789 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.142 -15.014 -6.485 1.00 0.00 H new ATOM 0 HG SER A 47 3.628 -15.830 -8.615 1.00 0.00 H new ATOM 776 N TYR A 48 3.351 -12.385 -4.678 1.00 0.00 N ATOM 777 CA TYR A 48 3.569 -12.075 -3.238 1.00 0.00 C ATOM 778 C TYR A 48 3.924 -13.347 -2.463 1.00 0.00 C ATOM 779 O TYR A 48 4.137 -14.399 -3.032 1.00 0.00 O ATOM 780 CB TYR A 48 2.294 -11.473 -2.666 1.00 0.00 C ATOM 781 CG TYR A 48 2.088 -10.088 -3.232 1.00 0.00 C ATOM 782 CD1 TYR A 48 1.447 -9.921 -4.463 1.00 0.00 C ATOM 783 CD2 TYR A 48 2.524 -8.971 -2.514 1.00 0.00 C ATOM 784 CE1 TYR A 48 1.244 -8.635 -4.977 1.00 0.00 C ATOM 785 CE2 TYR A 48 2.324 -7.685 -3.028 1.00 0.00 C ATOM 786 CZ TYR A 48 1.684 -7.516 -4.260 1.00 0.00 C ATOM 787 OH TYR A 48 1.483 -6.249 -4.766 1.00 0.00 O ATOM 0 H TYR A 48 2.396 -12.249 -5.009 1.00 0.00 H new ATOM 0 HA TYR A 48 4.395 -11.369 -3.145 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.441 -12.106 -2.908 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.358 -11.427 -1.579 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.109 -10.784 -5.017 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.016 -9.101 -1.561 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.748 -8.506 -5.927 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.664 -6.823 -2.473 1.00 0.00 H new ATOM 0 HH TYR A 48 0.670 -6.241 -5.314 1.00 0.00 H new ATOM 797 N THR A 49 3.988 -13.250 -1.160 1.00 0.00 N ATOM 798 CA THR A 49 4.327 -14.439 -0.326 1.00 0.00 C ATOM 799 C THR A 49 3.164 -15.433 -0.351 1.00 0.00 C ATOM 800 O THR A 49 2.012 -15.055 -0.401 1.00 0.00 O ATOM 801 CB THR A 49 4.581 -13.992 1.115 1.00 0.00 C ATOM 802 OG1 THR A 49 5.565 -12.966 1.125 1.00 0.00 O ATOM 803 CG2 THR A 49 5.072 -15.181 1.942 1.00 0.00 C ATOM 0 H THR A 49 3.819 -12.392 -0.636 1.00 0.00 H new ATOM 0 HA THR A 49 5.221 -14.918 -0.725 1.00 0.00 H new ATOM 0 HB THR A 49 3.655 -13.612 1.546 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.316 -12.280 1.779 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.252 -14.861 2.968 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.316 -15.966 1.935 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.998 -15.565 1.514 1.00 0.00 H new ATOM 811 N ASP A 50 3.459 -16.704 -0.319 1.00 0.00 N ATOM 812 CA ASP A 50 2.377 -17.724 -0.350 1.00 0.00 C ATOM 813 C ASP A 50 1.336 -17.421 0.732 1.00 0.00 C ATOM 814 O ASP A 50 0.152 -17.607 0.529 1.00 0.00 O ATOM 815 CB ASP A 50 2.985 -19.104 -0.099 1.00 0.00 C ATOM 816 CG ASP A 50 3.859 -19.503 -1.289 1.00 0.00 C ATOM 817 OD1 ASP A 50 3.791 -18.827 -2.302 1.00 0.00 O ATOM 818 OD2 ASP A 50 4.580 -20.479 -1.168 1.00 0.00 O ATOM 0 H ASP A 50 4.406 -17.079 -0.273 1.00 0.00 H new ATOM 0 HA ASP A 50 1.890 -17.703 -1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.580 -19.090 0.814 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.194 -19.840 0.048 1.00 0.00 H new ATOM 823 N ALA A 51 1.757 -16.958 1.877 1.00 0.00 N ATOM 824 CA ALA A 51 0.772 -16.653 2.955 1.00 0.00 C ATOM 825 C ALA A 51 -0.182 -15.558 2.473 1.00 0.00 C ATOM 826 O ALA A 51 -1.384 -15.739 2.431 1.00 0.00 O ATOM 827 CB ALA A 51 1.513 -16.170 4.204 1.00 0.00 C ATOM 0 H ALA A 51 2.733 -16.778 2.113 1.00 0.00 H new ATOM 0 HA ALA A 51 0.205 -17.552 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.793 -15.947 4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.195 -16.948 4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.080 -15.270 3.966 1.00 0.00 H new ATOM 833 N ASN A 52 0.346 -14.429 2.094 1.00 0.00 N ATOM 834 CA ASN A 52 -0.524 -13.328 1.600 1.00 0.00 C ATOM 835 C ASN A 52 -1.335 -13.819 0.402 1.00 0.00 C ATOM 836 O ASN A 52 -2.514 -13.551 0.282 1.00 0.00 O ATOM 837 CB ASN A 52 0.349 -12.147 1.172 1.00 0.00 C ATOM 838 CG ASN A 52 -0.539 -11.031 0.623 1.00 0.00 C ATOM 839 OD1 ASN A 52 -1.747 -11.159 0.596 1.00 0.00 O ATOM 840 ND2 ASN A 52 0.009 -9.933 0.179 1.00 0.00 N ATOM 0 H ASN A 52 1.345 -14.221 2.105 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.202 -13.014 2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.927 -11.782 2.021 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.063 -12.465 0.413 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.577 -9.184 -0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.023 -9.824 0.201 1.00 0.00 H new ATOM 847 N ILE A 53 -0.709 -14.541 -0.484 1.00 0.00 N ATOM 848 CA ILE A 53 -1.437 -15.056 -1.675 1.00 0.00 C ATOM 849 C ILE A 53 -2.513 -16.046 -1.233 1.00 0.00 C ATOM 850 O ILE A 53 -3.557 -16.152 -1.844 1.00 0.00 O ATOM 851 CB ILE A 53 -0.453 -15.743 -2.613 1.00 0.00 C ATOM 852 CG1 ILE A 53 0.563 -14.714 -3.109 1.00 0.00 C ATOM 853 CG2 ILE A 53 -1.209 -16.338 -3.803 1.00 0.00 C ATOM 854 CD1 ILE A 53 1.657 -15.418 -3.914 1.00 0.00 C ATOM 0 H ILE A 53 0.277 -14.797 -0.434 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.912 -14.226 -2.198 1.00 0.00 H new ATOM 0 HB ILE A 53 0.064 -16.543 -2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.066 -13.967 -3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.003 -14.186 -2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.504 -16.829 -4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.936 -17.066 -3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.726 -15.543 -4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.380 -14.682 -4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.161 -16.148 -3.281 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.210 -15.926 -4.769 1.00 0.00 H new ATOM 866 N LYS A 54 -2.276 -16.768 -0.172 1.00 0.00 N ATOM 867 CA LYS A 54 -3.301 -17.737 0.297 1.00 0.00 C ATOM 868 C LYS A 54 -4.617 -16.991 0.505 1.00 0.00 C ATOM 869 O LYS A 54 -5.673 -17.450 0.119 1.00 0.00 O ATOM 870 CB LYS A 54 -2.852 -18.361 1.617 1.00 0.00 C ATOM 871 CG LYS A 54 -3.889 -19.386 2.073 1.00 0.00 C ATOM 872 CD LYS A 54 -3.468 -19.974 3.422 1.00 0.00 C ATOM 873 CE LYS A 54 -4.418 -21.110 3.803 1.00 0.00 C ATOM 874 NZ LYS A 54 -3.782 -21.961 4.848 1.00 0.00 N ATOM 0 H LYS A 54 -1.423 -16.728 0.386 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.432 -18.527 -0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.881 -18.840 1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.732 -17.587 2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.868 -18.915 2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.982 -20.180 1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.445 -20.345 3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.484 -19.200 4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.359 -20.703 4.174 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.655 -21.710 2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.428 -22.734 5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.896 -22.360 4.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.578 -21.384 5.689 1.00 0.00 H new ATOM 888 N LYS A 55 -4.551 -15.832 1.095 1.00 0.00 N ATOM 889 CA LYS A 55 -5.788 -15.032 1.311 1.00 0.00 C ATOM 890 C LYS A 55 -5.801 -13.878 0.310 1.00 0.00 C ATOM 891 O LYS A 55 -4.923 -13.037 0.317 1.00 0.00 O ATOM 892 CB LYS A 55 -5.792 -14.470 2.734 1.00 0.00 C ATOM 893 CG LYS A 55 -7.169 -13.879 3.046 1.00 0.00 C ATOM 894 CD LYS A 55 -7.154 -13.263 4.446 1.00 0.00 C ATOM 895 CE LYS A 55 -8.568 -12.817 4.823 1.00 0.00 C ATOM 896 NZ LYS A 55 -8.598 -11.337 4.980 1.00 0.00 N ATOM 0 H LYS A 55 -3.692 -15.403 1.438 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.668 -15.660 1.172 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.552 -15.258 3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.024 -13.703 2.836 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.427 -13.121 2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.932 -14.655 2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.785 -13.989 5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.474 -12.412 4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.275 -13.126 4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.877 -13.298 5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.585 -11.010 5.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.128 -11.073 5.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.102 -10.893 4.181 1.00 0.00 H new ATOM 910 N ASN A 56 -6.781 -13.829 -0.553 1.00 0.00 N ATOM 911 CA ASN A 56 -6.839 -12.725 -1.555 1.00 0.00 C ATOM 912 C ASN A 56 -8.158 -11.968 -1.413 1.00 0.00 C ATOM 913 O ASN A 56 -9.227 -12.544 -1.482 1.00 0.00 O ATOM 914 CB ASN A 56 -6.742 -13.306 -2.966 1.00 0.00 C ATOM 915 CG ASN A 56 -6.561 -14.824 -2.888 1.00 0.00 C ATOM 916 OD1 ASN A 56 -7.256 -15.494 -2.151 1.00 0.00 O ATOM 917 ND2 ASN A 56 -5.649 -15.398 -3.625 1.00 0.00 N ATOM 0 H ASN A 56 -7.543 -14.505 -0.607 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.007 -12.043 -1.382 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.643 -13.066 -3.531 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.903 -12.857 -3.498 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.520 -16.409 -3.582 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.065 -14.836 -4.244 1.00 0.00 H new ATOM 924 N VAL A 57 -8.087 -10.682 -1.216 1.00 0.00 N ATOM 925 CA VAL A 57 -9.326 -9.872 -1.069 1.00 0.00 C ATOM 926 C VAL A 57 -9.306 -8.718 -2.068 1.00 0.00 C ATOM 927 O VAL A 57 -8.300 -8.059 -2.247 1.00 0.00 O ATOM 928 CB VAL A 57 -9.392 -9.313 0.349 1.00 0.00 C ATOM 929 CG1 VAL A 57 -10.718 -8.577 0.550 1.00 0.00 C ATOM 930 CG2 VAL A 57 -9.288 -10.462 1.356 1.00 0.00 C ATOM 0 H VAL A 57 -7.217 -10.154 -1.150 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.197 -10.499 -1.260 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.566 -8.618 0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.763 -8.179 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.792 -7.758 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.546 -9.269 0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.335 -10.063 2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.113 -11.157 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.342 -10.985 1.215 1.00 0.00 H new ATOM 940 N LEU A 58 -10.411 -8.451 -2.712 1.00 0.00 N ATOM 941 CA LEU A 58 -10.437 -7.324 -3.682 1.00 0.00 C ATOM 942 C LEU A 58 -9.972 -6.063 -2.967 1.00 0.00 C ATOM 943 O LEU A 58 -10.205 -5.890 -1.787 1.00 0.00 O ATOM 944 CB LEU A 58 -11.855 -7.116 -4.211 1.00 0.00 C ATOM 945 CG LEU A 58 -11.871 -5.925 -5.174 1.00 0.00 C ATOM 946 CD1 LEU A 58 -10.972 -6.225 -6.376 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.303 -5.691 -5.660 1.00 0.00 C ATOM 0 H LEU A 58 -11.288 -8.961 -2.608 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.781 -7.548 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.200 -8.015 -4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.541 -6.937 -3.383 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.505 -5.036 -4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.984 -5.377 -7.060 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.952 -6.400 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.338 -7.113 -6.892 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.321 -4.844 -6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.663 -6.582 -6.174 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.947 -5.480 -4.806 1.00 0.00 H new ATOM 959 N TRP A 59 -9.303 -5.191 -3.661 1.00 0.00 N ATOM 960 CA TRP A 59 -8.811 -3.958 -3.007 1.00 0.00 C ATOM 961 C TRP A 59 -9.718 -2.770 -3.321 1.00 0.00 C ATOM 962 O TRP A 59 -10.230 -2.625 -4.413 1.00 0.00 O ATOM 963 CB TRP A 59 -7.395 -3.664 -3.491 1.00 0.00 C ATOM 964 CG TRP A 59 -6.430 -4.485 -2.703 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.562 -5.382 -3.223 1.00 0.00 C ATOM 966 CD2 TRP A 59 -6.227 -4.506 -1.260 1.00 0.00 C ATOM 967 NE1 TRP A 59 -4.830 -5.940 -2.193 1.00 0.00 N ATOM 968 CE2 TRP A 59 -5.207 -5.437 -0.965 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.822 -3.813 -0.190 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -4.791 -5.674 0.341 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -6.406 -4.050 1.129 1.00 0.00 C ATOM 972 CH2 TRP A 59 -5.391 -4.980 1.393 1.00 0.00 C ATOM 0 H TRP A 59 -9.077 -5.281 -4.652 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.813 -4.112 -1.928 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.305 -3.894 -4.553 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.170 -2.604 -3.374 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.458 -5.622 -4.271 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.099 -6.639 -2.324 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.604 -3.094 -0.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.008 -6.391 0.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.870 -3.514 1.944 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.073 -5.159 2.410 1.00 0.00 H new ATOM 983 N ASP A 60 -9.901 -1.915 -2.355 1.00 0.00 N ATOM 984 CA ASP A 60 -10.753 -0.714 -2.547 1.00 0.00 C ATOM 985 C ASP A 60 -10.123 0.434 -1.760 1.00 0.00 C ATOM 986 O ASP A 60 -9.389 0.213 -0.818 1.00 0.00 O ATOM 987 CB ASP A 60 -12.163 -0.992 -2.019 1.00 0.00 C ATOM 988 CG ASP A 60 -13.095 0.153 -2.417 1.00 0.00 C ATOM 989 OD1 ASP A 60 -12.664 1.003 -3.178 1.00 0.00 O ATOM 990 OD2 ASP A 60 -14.224 0.160 -1.955 1.00 0.00 O ATOM 0 H ASP A 60 -9.488 -2.001 -1.426 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.823 -0.459 -3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.534 -1.934 -2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.142 -1.097 -0.934 1.00 0.00 H new ATOM 995 N GLU A 61 -10.384 1.653 -2.130 1.00 0.00 N ATOM 996 CA GLU A 61 -9.768 2.783 -1.384 1.00 0.00 C ATOM 997 C GLU A 61 -10.122 2.659 0.098 1.00 0.00 C ATOM 998 O GLU A 61 -9.311 2.922 0.963 1.00 0.00 O ATOM 999 CB GLU A 61 -10.305 4.106 -1.929 1.00 0.00 C ATOM 1000 CG GLU A 61 -9.880 4.260 -3.391 1.00 0.00 C ATOM 1001 CD GLU A 61 -10.822 3.461 -4.294 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.879 3.074 -3.825 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -10.470 3.250 -5.443 1.00 0.00 O ATOM 0 H GLU A 61 -10.990 1.916 -2.907 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.685 2.756 -1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.392 4.131 -1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.923 4.938 -1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.896 5.312 -3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.856 3.911 -3.520 1.00 0.00 H new ATOM 1010 N ASN A 62 -11.323 2.252 0.397 1.00 0.00 N ATOM 1011 CA ASN A 62 -11.722 2.102 1.824 1.00 0.00 C ATOM 1012 C ASN A 62 -11.037 0.870 2.427 1.00 0.00 C ATOM 1013 O ASN A 62 -10.548 0.904 3.539 1.00 0.00 O ATOM 1014 CB ASN A 62 -13.241 1.935 1.913 1.00 0.00 C ATOM 1015 CG ASN A 62 -13.925 3.175 1.336 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -13.486 4.360 1.663 1.00 0.00 O flip ATOM 1017 ND2 ASN A 62 -14.870 3.065 0.580 1.00 0.00 N flip ATOM 0 H ASN A 62 -12.045 2.017 -0.284 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.418 2.990 2.378 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.553 1.046 1.364 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.541 1.791 2.951 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.213 2.139 0.324 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.320 3.898 0.201 1.00 0.00 H new ATOM 1024 N ASN A 63 -11.006 -0.219 1.705 1.00 0.00 N ATOM 1025 CA ASN A 63 -10.363 -1.452 2.239 1.00 0.00 C ATOM 1026 C ASN A 63 -8.862 -1.228 2.420 1.00 0.00 C ATOM 1027 O ASN A 63 -8.271 -1.652 3.395 1.00 0.00 O ATOM 1028 CB ASN A 63 -10.586 -2.600 1.254 1.00 0.00 C ATOM 1029 CG ASN A 63 -12.079 -2.912 1.156 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -12.854 -2.511 2.003 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -12.520 -3.618 0.151 1.00 0.00 N ATOM 0 H ASN A 63 -11.399 -0.306 0.768 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.805 -1.696 3.205 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.196 -2.331 0.273 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.041 -3.485 1.582 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.514 -3.833 0.076 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.870 -3.955 -0.560 1.00 0.00 H new ATOM 1038 N MET A 64 -8.237 -0.573 1.484 1.00 0.00 N ATOM 1039 CA MET A 64 -6.775 -0.333 1.598 1.00 0.00 C ATOM 1040 C MET A 64 -6.478 0.504 2.842 1.00 0.00 C ATOM 1041 O MET A 64 -5.485 0.301 3.508 1.00 0.00 O ATOM 1042 CB MET A 64 -6.279 0.396 0.347 1.00 0.00 C ATOM 1043 CG MET A 64 -6.296 -0.562 -0.845 1.00 0.00 C ATOM 1044 SD MET A 64 -5.315 0.136 -2.196 1.00 0.00 S ATOM 1045 CE MET A 64 -3.678 -0.213 -1.499 1.00 0.00 C ATOM 0 H MET A 64 -8.676 -0.194 0.645 1.00 0.00 H new ATOM 0 HA MET A 64 -6.259 -1.289 1.687 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.912 1.259 0.142 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.269 0.773 0.510 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.893 -1.531 -0.552 1.00 0.00 H new ATOM 0 HG3 MET A 64 -7.321 -0.730 -1.175 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.924 -0.126 -2.281 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.461 0.501 -0.705 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.664 -1.224 -1.092 1.00 0.00 H new ATOM 1055 N SER A 65 -7.324 1.439 3.170 1.00 0.00 N ATOM 1056 CA SER A 65 -7.060 2.274 4.375 1.00 0.00 C ATOM 1057 C SER A 65 -6.839 1.364 5.587 1.00 0.00 C ATOM 1058 O SER A 65 -5.968 1.601 6.406 1.00 0.00 O ATOM 1059 CB SER A 65 -8.260 3.188 4.632 1.00 0.00 C ATOM 1060 OG SER A 65 -8.524 3.954 3.465 1.00 0.00 O ATOM 0 H SER A 65 -8.180 1.661 2.661 1.00 0.00 H new ATOM 0 HA SER A 65 -6.170 2.881 4.211 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.135 2.594 4.897 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.056 3.847 5.476 1.00 0.00 H new ATOM 0 HG SER A 65 -8.929 3.380 2.782 1.00 0.00 H new ATOM 1066 N GLU A 66 -7.608 0.317 5.705 1.00 0.00 N ATOM 1067 CA GLU A 66 -7.429 -0.602 6.860 1.00 0.00 C ATOM 1068 C GLU A 66 -6.035 -1.226 6.790 1.00 0.00 C ATOM 1069 O GLU A 66 -5.355 -1.364 7.788 1.00 0.00 O ATOM 1070 CB GLU A 66 -8.487 -1.704 6.797 1.00 0.00 C ATOM 1071 CG GLU A 66 -9.877 -1.083 6.940 1.00 0.00 C ATOM 1072 CD GLU A 66 -10.008 -0.429 8.317 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -9.212 -0.752 9.183 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -10.903 0.382 8.483 1.00 0.00 O ATOM 0 H GLU A 66 -8.349 0.060 5.053 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.536 -0.050 7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.412 -2.241 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.318 -2.431 7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.037 -0.341 6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.643 -1.849 6.815 1.00 0.00 H new ATOM 1081 N TYR A 67 -5.598 -1.598 5.616 1.00 0.00 N ATOM 1082 CA TYR A 67 -4.243 -2.203 5.488 1.00 0.00 C ATOM 1083 C TYR A 67 -3.175 -1.159 5.802 1.00 0.00 C ATOM 1084 O TYR A 67 -2.206 -1.431 6.473 1.00 0.00 O ATOM 1085 CB TYR A 67 -4.025 -2.707 4.065 1.00 0.00 C ATOM 1086 CG TYR A 67 -2.640 -3.299 3.973 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -2.429 -4.649 4.277 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -1.560 -2.489 3.601 1.00 0.00 C ATOM 1089 CE1 TYR A 67 -1.139 -5.188 4.209 1.00 0.00 C ATOM 1090 CE2 TYR A 67 -0.271 -3.029 3.530 1.00 0.00 C ATOM 1091 CZ TYR A 67 -0.060 -4.378 3.836 1.00 0.00 C ATOM 1092 OH TYR A 67 1.211 -4.910 3.769 1.00 0.00 O ATOM 0 H TYR A 67 -6.120 -1.509 4.744 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.170 -3.034 6.189 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.775 -3.456 3.810 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.135 -1.889 3.353 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.261 -5.275 4.564 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.722 -1.447 3.369 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.976 -6.229 4.444 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.561 -2.405 3.239 1.00 0.00 H new ATOM 0 HH TYR A 67 1.252 -5.728 4.307 1.00 0.00 H new ATOM 1102 N LEU A 68 -3.340 0.033 5.309 1.00 0.00 N ATOM 1103 CA LEU A 68 -2.325 1.087 5.565 1.00 0.00 C ATOM 1104 C LEU A 68 -1.929 1.061 7.036 1.00 0.00 C ATOM 1105 O LEU A 68 -0.780 1.244 7.388 1.00 0.00 O ATOM 1106 CB LEU A 68 -2.922 2.449 5.225 1.00 0.00 C ATOM 1107 CG LEU A 68 -2.471 2.875 3.829 1.00 0.00 C ATOM 1108 CD1 LEU A 68 -0.997 3.260 3.866 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -2.654 1.725 2.836 1.00 0.00 C ATOM 0 H LEU A 68 -4.135 0.323 4.739 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.444 0.907 4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.010 2.401 5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.607 3.189 5.961 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.075 3.725 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.675 3.564 2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.854 4.087 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.406 2.405 4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.328 2.044 1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.059 0.870 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.706 1.441 2.798 1.00 0.00 H new ATOM 1121 N THR A 69 -2.873 0.838 7.899 1.00 0.00 N ATOM 1122 CA THR A 69 -2.562 0.801 9.350 1.00 0.00 C ATOM 1123 C THR A 69 -1.395 -0.159 9.622 1.00 0.00 C ATOM 1124 O THR A 69 -0.552 0.103 10.457 1.00 0.00 O ATOM 1125 CB THR A 69 -3.799 0.330 10.112 1.00 0.00 C ATOM 1126 OG1 THR A 69 -4.923 1.102 9.712 1.00 0.00 O ATOM 1127 CG2 THR A 69 -3.568 0.506 11.609 1.00 0.00 C ATOM 0 H THR A 69 -3.852 0.679 7.661 1.00 0.00 H new ATOM 0 HA THR A 69 -2.277 1.800 9.681 1.00 0.00 H new ATOM 0 HB THR A 69 -3.984 -0.722 9.893 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.397 0.640 8.990 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.450 0.170 12.155 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.705 -0.084 11.916 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.384 1.558 11.828 1.00 0.00 H new ATOM 1135 N ASN A 70 -1.340 -1.273 8.939 1.00 0.00 N ATOM 1136 CA ASN A 70 -0.222 -2.238 9.186 1.00 0.00 C ATOM 1137 C ASN A 70 0.217 -2.901 7.875 1.00 0.00 C ATOM 1138 O ASN A 70 -0.388 -2.720 6.839 1.00 0.00 O ATOM 1139 CB ASN A 70 -0.695 -3.320 10.156 1.00 0.00 C ATOM 1140 CG ASN A 70 0.517 -4.057 10.728 1.00 0.00 C ATOM 1141 OD1 ASN A 70 0.660 -5.333 10.493 1.00 0.00 O flip ATOM 1142 ND2 ASN A 70 1.342 -3.466 11.397 1.00 0.00 N flip ATOM 0 H ASN A 70 -2.013 -1.557 8.227 1.00 0.00 H new ATOM 0 HA ASN A 70 0.623 -1.694 9.609 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -1.275 -2.872 10.962 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.352 -4.022 9.642 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.230 -2.469 11.581 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.146 -3.967 11.775 1.00 0.00 H new ATOM 1149 N HIS A 71 1.269 -3.675 7.915 1.00 0.00 N ATOM 1150 CA HIS A 71 1.746 -4.351 6.675 1.00 0.00 C ATOM 1151 C HIS A 71 1.183 -5.774 6.597 1.00 0.00 C ATOM 1152 O HIS A 71 1.207 -6.397 5.555 1.00 0.00 O ATOM 1153 CB HIS A 71 3.277 -4.425 6.680 1.00 0.00 C ATOM 1154 CG HIS A 71 3.831 -3.591 5.555 1.00 0.00 C ATOM 1155 ND1 HIS A 71 4.181 -2.258 5.730 1.00 0.00 N ATOM 1156 CD2 HIS A 71 4.104 -3.882 4.235 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.642 -1.800 4.552 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.615 -2.745 3.615 1.00 0.00 N ATOM 0 H HIS A 71 1.818 -3.868 8.753 1.00 0.00 H new ATOM 0 HA HIS A 71 1.404 -3.776 5.814 1.00 0.00 H new ATOM 0 HB2 HIS A 71 3.664 -4.068 7.634 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.601 -5.460 6.571 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.947 -4.838 3.759 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.991 -0.791 4.387 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.908 -2.655 2.642 1.00 0.00 H new ATOM 1166 N ALA A 72 0.697 -6.310 7.688 1.00 0.00 N ATOM 1167 CA ALA A 72 0.169 -7.705 7.638 1.00 0.00 C ATOM 1168 C ALA A 72 -1.008 -7.893 8.602 1.00 0.00 C ATOM 1169 O ALA A 72 -1.532 -8.981 8.731 1.00 0.00 O ATOM 1170 CB ALA A 72 1.285 -8.671 8.030 1.00 0.00 C ATOM 0 H ALA A 72 0.643 -5.850 8.597 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.180 -7.903 6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.909 -9.694 7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.117 -8.567 7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.626 -8.442 9.040 1.00 0.00 H new ATOM 1176 N LYS A 73 -1.437 -6.866 9.281 1.00 0.00 N ATOM 1177 CA LYS A 73 -2.580 -7.049 10.222 1.00 0.00 C ATOM 1178 C LYS A 73 -3.780 -7.606 9.453 1.00 0.00 C ATOM 1179 O LYS A 73 -4.449 -8.515 9.903 1.00 0.00 O ATOM 1180 CB LYS A 73 -2.956 -5.709 10.856 1.00 0.00 C ATOM 1181 CG LYS A 73 -4.062 -5.927 11.891 1.00 0.00 C ATOM 1182 CD LYS A 73 -4.484 -4.580 12.481 1.00 0.00 C ATOM 1183 CE LYS A 73 -5.480 -4.812 13.619 1.00 0.00 C ATOM 1184 NZ LYS A 73 -5.852 -3.504 14.227 1.00 0.00 N ATOM 0 H LYS A 73 -1.054 -5.922 9.228 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.291 -7.745 11.010 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.083 -5.261 11.330 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.294 -5.013 10.088 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.918 -6.416 11.426 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.708 -6.588 12.683 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.611 -4.043 12.851 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.936 -3.958 11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.370 -5.316 13.241 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.041 -5.464 14.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.529 -3.661 15.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.000 -3.040 14.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.287 -2.896 13.504 1.00 0.00 H new ATOM 1198 N TYR A 74 -4.052 -7.075 8.293 1.00 0.00 N ATOM 1199 CA TYR A 74 -5.202 -7.581 7.491 1.00 0.00 C ATOM 1200 C TYR A 74 -4.924 -9.026 7.067 1.00 0.00 C ATOM 1201 O TYR A 74 -5.813 -9.853 7.028 1.00 0.00 O ATOM 1202 CB TYR A 74 -5.380 -6.712 6.246 1.00 0.00 C ATOM 1203 CG TYR A 74 -6.641 -7.118 5.522 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -7.874 -6.579 5.909 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -6.579 -8.033 4.465 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -9.043 -6.954 5.237 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -7.749 -8.409 3.793 1.00 0.00 C ATOM 1208 CZ TYR A 74 -8.980 -7.869 4.180 1.00 0.00 C ATOM 1209 OH TYR A 74 -10.134 -8.238 3.518 1.00 0.00 O ATOM 0 H TYR A 74 -3.527 -6.312 7.865 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.111 -7.542 8.092 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.433 -5.661 6.528 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.519 -6.822 5.587 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.923 -5.874 6.726 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.628 -8.450 4.167 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.994 -6.537 5.534 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.701 -9.115 2.977 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.750 -7.477 3.485 1.00 0.00 H new ATOM 1219 N ILE A 75 -3.694 -9.327 6.744 1.00 0.00 N ATOM 1220 CA ILE A 75 -3.341 -10.711 6.312 1.00 0.00 C ATOM 1221 C ILE A 75 -2.307 -11.299 7.278 1.00 0.00 C ATOM 1222 O ILE A 75 -1.119 -11.257 7.027 1.00 0.00 O ATOM 1223 CB ILE A 75 -2.745 -10.663 4.902 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -2.445 -9.211 4.525 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -3.737 -11.252 3.900 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -1.725 -9.174 3.176 1.00 0.00 C ATOM 0 H ILE A 75 -2.914 -8.670 6.761 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.236 -11.333 6.313 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.824 -11.245 4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.371 -8.639 4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.827 -8.745 5.292 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.308 -11.215 2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.951 -12.287 4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.661 -10.674 3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.511 -8.140 2.906 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.791 -9.732 3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.359 -9.624 2.412 1.00 0.00 H new ATOM 1238 N PRO A 76 -2.757 -11.842 8.376 1.00 0.00 N ATOM 1239 CA PRO A 76 -1.853 -12.449 9.393 1.00 0.00 C ATOM 1240 C PRO A 76 -0.946 -13.516 8.779 1.00 0.00 C ATOM 1241 O PRO A 76 -1.356 -14.280 7.928 1.00 0.00 O ATOM 1242 CB PRO A 76 -2.804 -13.075 10.417 1.00 0.00 C ATOM 1243 CG PRO A 76 -4.114 -12.384 10.229 1.00 0.00 C ATOM 1244 CD PRO A 76 -4.169 -11.936 8.769 1.00 0.00 C ATOM 0 HA PRO A 76 -1.182 -11.710 9.832 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.901 -14.149 10.256 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.431 -12.938 11.432 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.942 -13.055 10.459 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.200 -11.529 10.900 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.709 -12.653 8.151 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.678 -10.978 8.664 1.00 0.00 H new ATOM 1252 N GLY A 77 0.287 -13.567 9.197 1.00 0.00 N ATOM 1253 CA GLY A 77 1.221 -14.576 8.629 1.00 0.00 C ATOM 1254 C GLY A 77 1.934 -13.966 7.423 1.00 0.00 C ATOM 1255 O GLY A 77 2.729 -14.608 6.766 1.00 0.00 O ATOM 0 H GLY A 77 0.688 -12.954 9.907 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.948 -14.883 9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.674 -15.470 8.331 1.00 0.00 H new ATOM 1259 N THR A 78 1.655 -12.724 7.129 1.00 0.00 N ATOM 1260 CA THR A 78 2.313 -12.068 5.969 1.00 0.00 C ATOM 1261 C THR A 78 3.620 -11.416 6.431 1.00 0.00 C ATOM 1262 O THR A 78 3.852 -11.238 7.610 1.00 0.00 O ATOM 1263 CB THR A 78 1.376 -11.011 5.372 1.00 0.00 C ATOM 1264 OG1 THR A 78 0.404 -11.655 4.561 1.00 0.00 O ATOM 1265 CG2 THR A 78 2.177 -10.026 4.518 1.00 0.00 C ATOM 0 H THR A 78 0.999 -12.137 7.644 1.00 0.00 H new ATOM 0 HA THR A 78 2.535 -12.812 5.204 1.00 0.00 H new ATOM 0 HB THR A 78 0.885 -10.467 6.179 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.003 -12.393 5.062 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.504 -9.278 4.097 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.926 -9.533 5.138 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.672 -10.564 3.710 1.00 0.00 H new ATOM 1273 N LYS A 79 4.481 -11.078 5.512 1.00 0.00 N ATOM 1274 CA LYS A 79 5.784 -10.460 5.893 1.00 0.00 C ATOM 1275 C LYS A 79 5.582 -9.000 6.313 1.00 0.00 C ATOM 1276 O LYS A 79 4.725 -8.307 5.803 1.00 0.00 O ATOM 1277 CB LYS A 79 6.719 -10.496 4.686 1.00 0.00 C ATOM 1278 CG LYS A 79 6.951 -11.942 4.249 1.00 0.00 C ATOM 1279 CD LYS A 79 7.971 -11.963 3.108 1.00 0.00 C ATOM 1280 CE LYS A 79 8.030 -13.362 2.494 1.00 0.00 C ATOM 1281 NZ LYS A 79 9.394 -13.933 2.689 1.00 0.00 N ATOM 0 H LYS A 79 4.339 -11.203 4.510 1.00 0.00 H new ATOM 0 HA LYS A 79 6.209 -11.017 6.728 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.288 -9.924 3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.670 -10.026 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.314 -12.535 5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.013 -12.391 3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.695 -11.233 2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.954 -11.678 3.481 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.284 -14.007 2.959 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.792 -13.315 1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.435 -14.885 2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.096 -13.321 2.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.604 -13.992 3.706 1.00 0.00 H new ATOM 1295 N MET A 80 6.381 -8.529 7.233 1.00 0.00 N ATOM 1296 CA MET A 80 6.265 -7.113 7.686 1.00 0.00 C ATOM 1297 C MET A 80 7.659 -6.480 7.698 1.00 0.00 C ATOM 1298 O MET A 80 8.654 -7.165 7.816 1.00 0.00 O ATOM 1299 CB MET A 80 5.675 -7.070 9.097 1.00 0.00 C ATOM 1300 CG MET A 80 4.250 -7.621 9.073 1.00 0.00 C ATOM 1301 SD MET A 80 3.489 -7.397 10.700 1.00 0.00 S ATOM 1302 CE MET A 80 4.682 -8.377 11.645 1.00 0.00 C ATOM 0 H MET A 80 7.114 -9.069 7.693 1.00 0.00 H new ATOM 0 HA MET A 80 5.612 -6.563 7.008 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.291 -7.657 9.778 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.674 -6.046 9.471 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.663 -7.108 8.311 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.262 -8.678 8.808 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.199 -8.779 12.535 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.048 -9.198 11.029 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.519 -7.745 11.941 1.00 0.00 H new ATOM 1312 N ALA A 81 7.749 -5.181 7.581 1.00 0.00 N ATOM 1313 CA ALA A 81 9.094 -4.535 7.590 1.00 0.00 C ATOM 1314 C ALA A 81 8.957 -3.009 7.555 1.00 0.00 C ATOM 1315 O ALA A 81 9.874 -2.310 7.169 1.00 0.00 O ATOM 1316 CB ALA A 81 9.887 -4.999 6.367 1.00 0.00 C ATOM 0 H ALA A 81 6.958 -4.545 7.481 1.00 0.00 H new ATOM 0 HA ALA A 81 9.615 -4.821 8.504 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.870 -4.529 6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.003 -6.082 6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.354 -4.717 5.459 1.00 0.00 H new ATOM 1322 N PHE A 82 7.829 -2.483 7.957 1.00 0.00 N ATOM 1323 CA PHE A 82 7.648 -1.000 7.947 1.00 0.00 C ATOM 1324 C PHE A 82 7.559 -0.484 9.389 1.00 0.00 C ATOM 1325 O PHE A 82 7.038 -1.146 10.264 1.00 0.00 O ATOM 1326 CB PHE A 82 6.369 -0.638 7.194 1.00 0.00 C ATOM 1327 CG PHE A 82 6.266 0.860 7.110 1.00 0.00 C ATOM 1328 CD1 PHE A 82 6.933 1.555 6.096 1.00 0.00 C ATOM 1329 CD2 PHE A 82 5.516 1.555 8.058 1.00 0.00 C ATOM 1330 CE1 PHE A 82 6.845 2.949 6.030 1.00 0.00 C ATOM 1331 CE2 PHE A 82 5.430 2.947 7.997 1.00 0.00 C ATOM 1332 CZ PHE A 82 6.093 3.646 6.982 1.00 0.00 C ATOM 0 H PHE A 82 7.026 -3.015 8.292 1.00 0.00 H new ATOM 0 HA PHE A 82 8.500 -0.539 7.448 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.383 -1.072 6.194 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.499 -1.048 7.707 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.516 1.015 5.364 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.001 1.016 8.840 1.00 0.00 H new ATOM 0 HE1 PHE A 82 7.357 3.487 5.245 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.851 3.485 8.734 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.024 4.723 6.934 1.00 0.00 H new ATOM 1342 N GLY A 83 8.074 0.692 9.645 1.00 0.00 N ATOM 1343 CA GLY A 83 8.028 1.248 11.032 1.00 0.00 C ATOM 1344 C GLY A 83 6.579 1.345 11.521 1.00 0.00 C ATOM 1345 O GLY A 83 6.231 0.805 12.553 1.00 0.00 O ATOM 0 H GLY A 83 8.524 1.291 8.953 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.604 0.612 11.705 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.492 2.234 11.051 1.00 0.00 H new ATOM 1349 N GLY A 84 5.731 2.023 10.793 1.00 0.00 N ATOM 1350 CA GLY A 84 4.306 2.142 11.228 1.00 0.00 C ATOM 1351 C GLY A 84 3.811 3.581 11.036 1.00 0.00 C ATOM 1352 O GLY A 84 4.381 4.519 11.557 1.00 0.00 O ATOM 0 H GLY A 84 5.961 2.498 9.920 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.684 1.456 10.653 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.213 1.854 12.275 1.00 0.00 H new ATOM 1356 N LEU A 85 2.746 3.756 10.298 1.00 0.00 N ATOM 1357 CA LEU A 85 2.197 5.121 10.073 1.00 0.00 C ATOM 1358 C LEU A 85 1.264 5.474 11.231 1.00 0.00 C ATOM 1359 O LEU A 85 0.064 5.581 11.068 1.00 0.00 O ATOM 1360 CB LEU A 85 1.421 5.128 8.761 1.00 0.00 C ATOM 1361 CG LEU A 85 2.307 4.577 7.641 1.00 0.00 C ATOM 1362 CD1 LEU A 85 1.467 4.369 6.386 1.00 0.00 C ATOM 1363 CD2 LEU A 85 3.430 5.570 7.329 1.00 0.00 C ATOM 0 H LEU A 85 2.231 3.005 9.839 1.00 0.00 H new ATOM 0 HA LEU A 85 3.003 5.853 10.021 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.519 4.523 8.856 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.101 6.142 8.521 1.00 0.00 H new ATOM 0 HG LEU A 85 2.738 3.629 7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.097 3.977 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.666 3.661 6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.037 5.321 6.074 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.057 5.172 6.531 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.999 6.519 7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.035 5.727 8.222 1.00 0.00 H new ATOM 1375 N LYS A 86 1.809 5.649 12.405 1.00 0.00 N ATOM 1376 CA LYS A 86 0.964 5.988 13.582 1.00 0.00 C ATOM 1377 C LYS A 86 0.172 7.262 13.290 1.00 0.00 C ATOM 1378 O LYS A 86 -0.950 7.421 13.728 1.00 0.00 O ATOM 1379 CB LYS A 86 1.859 6.212 14.803 1.00 0.00 C ATOM 1380 CG LYS A 86 0.989 6.429 16.043 1.00 0.00 C ATOM 1381 CD LYS A 86 1.887 6.711 17.251 1.00 0.00 C ATOM 1382 CE LYS A 86 1.033 6.765 18.520 1.00 0.00 C ATOM 1383 NZ LYS A 86 1.851 7.300 19.646 1.00 0.00 N ATOM 0 H LYS A 86 2.807 5.571 12.598 1.00 0.00 H new ATOM 0 HA LYS A 86 0.273 5.169 13.783 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.512 5.352 14.950 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.502 7.077 14.641 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.307 7.263 15.881 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.376 5.547 16.230 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.646 5.934 17.343 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.414 7.655 17.114 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.160 7.398 18.357 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.664 5.769 18.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.272 7.337 20.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.670 6.679 19.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.182 8.257 19.410 1.00 0.00 H new ATOM 1397 N LYS A 87 0.745 8.170 12.551 1.00 0.00 N ATOM 1398 CA LYS A 87 0.020 9.430 12.234 1.00 0.00 C ATOM 1399 C LYS A 87 -1.046 9.143 11.176 1.00 0.00 C ATOM 1400 O LYS A 87 -0.760 8.627 10.114 1.00 0.00 O ATOM 1401 CB LYS A 87 1.009 10.465 11.694 1.00 0.00 C ATOM 1402 CG LYS A 87 2.030 10.810 12.781 1.00 0.00 C ATOM 1403 CD LYS A 87 2.953 11.924 12.280 1.00 0.00 C ATOM 1404 CE LYS A 87 4.043 12.194 13.320 1.00 0.00 C ATOM 1405 NZ LYS A 87 3.705 13.429 14.083 1.00 0.00 N ATOM 0 H LYS A 87 1.681 8.094 12.154 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.453 9.818 13.136 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.518 10.073 10.813 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.477 11.364 11.381 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.517 11.129 13.688 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.615 9.927 13.039 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.405 11.636 11.331 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.378 12.832 12.097 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.131 11.346 13.999 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.009 12.310 12.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.445 13.614 14.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.642 14.235 13.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.791 13.301 14.563 1.00 0.00 H new ATOM 1419 N GLU A 88 -2.275 9.470 11.461 1.00 0.00 N ATOM 1420 CA GLU A 88 -3.365 9.216 10.477 1.00 0.00 C ATOM 1421 C GLU A 88 -3.123 10.050 9.218 1.00 0.00 C ATOM 1422 O GLU A 88 -3.494 9.667 8.126 1.00 0.00 O ATOM 1423 CB GLU A 88 -4.706 9.608 11.095 1.00 0.00 C ATOM 1424 CG GLU A 88 -4.988 8.721 12.309 1.00 0.00 C ATOM 1425 CD GLU A 88 -6.364 9.063 12.884 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -6.940 10.046 12.445 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -6.819 8.338 13.753 1.00 0.00 O ATOM 0 H GLU A 88 -2.573 9.903 12.335 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.378 8.158 10.214 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.688 10.656 11.394 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.503 9.500 10.359 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.954 7.670 12.021 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.219 8.869 13.067 1.00 0.00 H new ATOM 1434 N LYS A 89 -2.514 11.193 9.365 1.00 0.00 N ATOM 1435 CA LYS A 89 -2.257 12.064 8.187 1.00 0.00 C ATOM 1436 C LYS A 89 -1.426 11.316 7.142 1.00 0.00 C ATOM 1437 O LYS A 89 -1.680 11.407 5.957 1.00 0.00 O ATOM 1438 CB LYS A 89 -1.492 13.302 8.647 1.00 0.00 C ATOM 1439 CG LYS A 89 -2.378 14.136 9.574 1.00 0.00 C ATOM 1440 CD LYS A 89 -1.651 15.430 9.946 1.00 0.00 C ATOM 1441 CE LYS A 89 -2.480 16.203 10.974 1.00 0.00 C ATOM 1442 NZ LYS A 89 -1.782 16.183 12.290 1.00 0.00 N ATOM 0 H LYS A 89 -2.182 11.562 10.256 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.208 12.351 7.739 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.581 13.007 9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -1.189 13.896 7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.323 14.366 9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.617 13.569 10.474 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.666 15.202 10.354 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.494 16.040 9.057 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.624 17.231 10.642 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.470 15.757 11.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.345 16.708 12.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.667 15.199 12.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.847 16.628 12.194 1.00 0.00 H new ATOM 1456 N ASP A 90 -0.432 10.588 7.564 1.00 0.00 N ATOM 1457 CA ASP A 90 0.412 9.852 6.583 1.00 0.00 C ATOM 1458 C ASP A 90 -0.440 8.819 5.844 1.00 0.00 C ATOM 1459 O ASP A 90 -0.467 8.778 4.629 1.00 0.00 O ATOM 1460 CB ASP A 90 1.539 9.135 7.324 1.00 0.00 C ATOM 1461 CG ASP A 90 2.449 10.167 7.993 1.00 0.00 C ATOM 1462 OD1 ASP A 90 2.368 11.327 7.622 1.00 0.00 O ATOM 1463 OD2 ASP A 90 3.212 9.781 8.862 1.00 0.00 O ATOM 0 H ASP A 90 -0.168 10.471 8.542 1.00 0.00 H new ATOM 0 HA ASP A 90 0.831 10.558 5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.124 8.461 8.073 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.114 8.524 6.629 1.00 0.00 H new ATOM 1468 N ARG A 91 -1.131 7.980 6.565 1.00 0.00 N ATOM 1469 CA ARG A 91 -1.974 6.946 5.897 1.00 0.00 C ATOM 1470 C ARG A 91 -3.012 7.610 4.987 1.00 0.00 C ATOM 1471 O ARG A 91 -3.297 7.130 3.907 1.00 0.00 O ATOM 1472 CB ARG A 91 -2.710 6.122 6.957 1.00 0.00 C ATOM 1473 CG ARG A 91 -1.701 5.388 7.839 1.00 0.00 C ATOM 1474 CD ARG A 91 -2.446 4.460 8.800 1.00 0.00 C ATOM 1475 NE ARG A 91 -3.447 5.249 9.575 1.00 0.00 N ATOM 1476 CZ ARG A 91 -4.366 4.636 10.268 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -4.406 3.332 10.291 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -5.246 5.327 10.939 1.00 0.00 N ATOM 0 H ARG A 91 -1.149 7.965 7.585 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.326 6.304 5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.334 6.774 7.568 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.375 5.405 6.476 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.012 4.812 7.221 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.102 6.106 8.400 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.944 3.666 8.243 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.741 3.979 9.479 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.413 6.268 9.563 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.718 2.791 9.767 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.125 2.853 10.833 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.215 6.346 10.921 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.965 4.848 11.481 1.00 0.00 H new ATOM 1492 N ASN A 92 -3.595 8.695 5.418 1.00 0.00 N ATOM 1493 CA ASN A 92 -4.630 9.366 4.581 1.00 0.00 C ATOM 1494 C ASN A 92 -3.995 10.012 3.349 1.00 0.00 C ATOM 1495 O ASN A 92 -4.377 9.740 2.227 1.00 0.00 O ATOM 1496 CB ASN A 92 -5.323 10.448 5.408 1.00 0.00 C ATOM 1497 CG ASN A 92 -6.111 9.802 6.547 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -6.191 8.594 6.641 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -6.715 10.567 7.415 1.00 0.00 N ATOM 0 H ASN A 92 -3.400 9.145 6.312 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.352 8.617 4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.584 11.140 5.811 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.992 11.030 4.775 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.255 10.150 8.173 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.647 11.582 7.335 1.00 0.00 H new ATOM 1506 N ASP A 93 -3.041 10.874 3.546 1.00 0.00 N ATOM 1507 CA ASP A 93 -2.393 11.548 2.385 1.00 0.00 C ATOM 1508 C ASP A 93 -1.707 10.503 1.506 1.00 0.00 C ATOM 1509 O ASP A 93 -1.724 10.584 0.293 1.00 0.00 O ATOM 1510 CB ASP A 93 -1.356 12.553 2.892 1.00 0.00 C ATOM 1511 CG ASP A 93 -2.064 13.682 3.643 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -3.274 13.775 3.527 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -1.383 14.435 4.320 1.00 0.00 O ATOM 0 H ASP A 93 -2.680 11.143 4.461 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.149 12.072 1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.643 12.056 3.550 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.788 12.959 2.055 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.104 9.524 2.112 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.407 8.468 1.330 1.00 0.00 C ATOM 1520 C LEU A 94 -1.343 7.902 0.268 1.00 0.00 C ATOM 1521 O LEU A 94 -1.055 7.926 -0.911 1.00 0.00 O ATOM 1522 CB LEU A 94 0.005 7.351 2.286 1.00 0.00 C ATOM 1523 CG LEU A 94 0.589 6.170 1.510 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.608 6.663 0.483 1.00 0.00 C ATOM 1525 CD2 LEU A 94 1.282 5.231 2.493 1.00 0.00 C ATOM 0 H LEU A 94 -1.063 9.408 3.125 1.00 0.00 H new ATOM 0 HA LEU A 94 0.469 8.892 0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.741 7.726 2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.858 7.022 2.864 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.214 5.649 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.016 5.812 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.120 7.342 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.416 7.187 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.703 4.384 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.080 5.767 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.558 4.871 3.224 1.00 0.00 H new ATOM 1537 N ILE A 95 -2.459 7.390 0.685 1.00 0.00 N ATOM 1538 CA ILE A 95 -3.424 6.815 -0.282 1.00 0.00 C ATOM 1539 C ILE A 95 -3.976 7.908 -1.194 1.00 0.00 C ATOM 1540 O ILE A 95 -4.308 7.662 -2.337 1.00 0.00 O ATOM 1541 CB ILE A 95 -4.564 6.154 0.482 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -4.011 4.960 1.259 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -5.622 5.688 -0.508 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -5.103 4.376 2.161 1.00 0.00 C ATOM 0 H ILE A 95 -2.747 7.344 1.662 1.00 0.00 H new ATOM 0 HA ILE A 95 -2.916 6.073 -0.898 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.013 6.862 1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.653 4.198 0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.157 5.270 1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.442 5.214 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.002 6.545 -1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.181 4.971 -1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.703 3.525 2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.440 5.138 2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.944 4.049 1.549 1.00 0.00 H new ATOM 1556 N THR A 96 -4.082 9.111 -0.708 1.00 0.00 N ATOM 1557 CA THR A 96 -4.615 10.202 -1.558 1.00 0.00 C ATOM 1558 C THR A 96 -3.842 10.225 -2.876 1.00 0.00 C ATOM 1559 O THR A 96 -4.410 10.365 -3.940 1.00 0.00 O ATOM 1560 CB THR A 96 -4.436 11.532 -0.829 1.00 0.00 C ATOM 1561 OG1 THR A 96 -4.972 11.430 0.482 1.00 0.00 O ATOM 1562 CG2 THR A 96 -5.167 12.629 -1.593 1.00 0.00 C ATOM 0 H THR A 96 -3.822 9.383 0.240 1.00 0.00 H new ATOM 0 HA THR A 96 -5.674 10.041 -1.761 1.00 0.00 H new ATOM 0 HB THR A 96 -3.375 11.774 -0.769 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.450 10.781 0.999 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.041 13.579 -1.075 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.756 12.707 -2.600 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.228 12.386 -1.652 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.549 10.074 -2.811 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.735 10.070 -4.056 1.00 0.00 C ATOM 1572 C TYR A 97 -1.976 8.769 -4.823 1.00 0.00 C ATOM 1573 O TYR A 97 -2.143 8.766 -6.025 1.00 0.00 O ATOM 1574 CB TYR A 97 -0.254 10.192 -3.690 1.00 0.00 C ATOM 1575 CG TYR A 97 0.585 10.018 -4.929 1.00 0.00 C ATOM 1576 CD1 TYR A 97 0.711 11.066 -5.851 1.00 0.00 C ATOM 1577 CD2 TYR A 97 1.233 8.802 -5.160 1.00 0.00 C ATOM 1578 CE1 TYR A 97 1.490 10.892 -7.001 1.00 0.00 C ATOM 1579 CE2 TYR A 97 2.009 8.626 -6.308 1.00 0.00 C ATOM 1580 CZ TYR A 97 2.138 9.672 -7.231 1.00 0.00 C ATOM 1581 OH TYR A 97 2.905 9.500 -8.365 1.00 0.00 O ATOM 0 H TYR A 97 -2.020 9.953 -1.947 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.023 10.912 -4.686 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.059 11.165 -3.239 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.012 9.438 -2.949 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.208 12.005 -5.675 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.134 7.995 -4.449 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.591 11.699 -7.711 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.509 7.685 -6.484 1.00 0.00 H new ATOM 0 HH TYR A 97 3.285 8.596 -8.369 1.00 0.00 H new ATOM 1591 N LEU A 98 -1.991 7.662 -4.133 1.00 0.00 N ATOM 1592 CA LEU A 98 -2.218 6.357 -4.816 1.00 0.00 C ATOM 1593 C LEU A 98 -3.586 6.362 -5.495 1.00 0.00 C ATOM 1594 O LEU A 98 -3.725 5.983 -6.642 1.00 0.00 O ATOM 1595 CB LEU A 98 -2.173 5.236 -3.779 1.00 0.00 C ATOM 1596 CG LEU A 98 -0.817 5.252 -3.072 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -0.813 4.215 -1.948 1.00 0.00 C ATOM 1598 CD2 LEU A 98 0.282 4.910 -4.077 1.00 0.00 C ATOM 0 H LEU A 98 -1.856 7.605 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.444 6.200 -5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.976 5.365 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.332 4.272 -4.262 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.638 6.243 -2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.154 4.227 -1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.598 4.453 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.992 3.224 -2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.250 4.921 -3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.100 3.919 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.282 5.646 -4.881 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.596 6.799 -4.799 1.00 0.00 N ATOM 1611 CA LYS A 99 -5.956 6.839 -5.405 1.00 0.00 C ATOM 1612 C LYS A 99 -5.943 7.770 -6.617 1.00 0.00 C ATOM 1613 O LYS A 99 -6.569 7.503 -7.624 1.00 0.00 O ATOM 1614 CB LYS A 99 -6.958 7.345 -4.368 1.00 0.00 C ATOM 1615 CG LYS A 99 -8.362 7.384 -4.980 1.00 0.00 C ATOM 1616 CD LYS A 99 -9.345 7.970 -3.965 1.00 0.00 C ATOM 1617 CE LYS A 99 -10.766 7.898 -4.529 1.00 0.00 C ATOM 1618 NZ LYS A 99 -10.919 8.901 -5.620 1.00 0.00 N ATOM 0 H LYS A 99 -4.540 7.131 -3.836 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.247 5.839 -5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.950 6.694 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.672 8.340 -4.027 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.358 7.987 -5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.674 6.379 -5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.287 7.419 -3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.082 9.004 -3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.967 6.897 -4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.492 8.090 -3.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.923 8.985 -5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.566 9.824 -5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.374 8.595 -6.451 1.00 0.00 H new ATOM 1632 N LYS A 100 -5.235 8.860 -6.528 1.00 0.00 N ATOM 1633 CA LYS A 100 -5.178 9.811 -7.673 1.00 0.00 C ATOM 1634 C LYS A 100 -4.629 9.087 -8.897 1.00 0.00 C ATOM 1635 O LYS A 100 -5.111 9.245 -10.001 1.00 0.00 O ATOM 1636 CB LYS A 100 -4.242 10.965 -7.320 1.00 0.00 C ATOM 1637 CG LYS A 100 -4.386 12.080 -8.359 1.00 0.00 C ATOM 1638 CD LYS A 100 -3.406 13.209 -8.035 1.00 0.00 C ATOM 1639 CE LYS A 100 -3.661 14.391 -8.972 1.00 0.00 C ATOM 1640 NZ LYS A 100 -3.207 14.042 -10.348 1.00 0.00 N ATOM 0 H LYS A 100 -4.692 9.135 -5.710 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.177 10.193 -7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.478 11.347 -6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.211 10.614 -7.290 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.190 11.689 -9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.408 12.460 -8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.525 13.521 -6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.380 12.858 -8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.722 14.640 -8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.129 15.273 -8.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.221 14.894 -10.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.239 13.663 -10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.843 13.325 -10.752 1.00 0.00 H new ATOM 1654 N ALA A 101 -3.624 8.288 -8.701 1.00 0.00 N ATOM 1655 CA ALA A 101 -3.032 7.536 -9.842 1.00 0.00 C ATOM 1656 C ALA A 101 -4.037 6.489 -10.307 1.00 0.00 C ATOM 1657 O ALA A 101 -4.348 6.383 -11.476 1.00 0.00 O ATOM 1658 CB ALA A 101 -1.743 6.846 -9.388 1.00 0.00 C ATOM 0 H ALA A 101 -3.183 8.121 -7.797 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.800 8.219 -10.659 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.311 6.296 -10.224 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.032 7.596 -9.040 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.967 6.154 -8.576 1.00 0.00 H new ATOM 1664 N THR A 102 -4.564 5.726 -9.390 1.00 0.00 N ATOM 1665 CA THR A 102 -5.569 4.700 -9.765 1.00 0.00 C ATOM 1666 C THR A 102 -6.791 5.411 -10.341 1.00 0.00 C ATOM 1667 O THR A 102 -7.484 4.891 -11.192 1.00 0.00 O ATOM 1668 CB THR A 102 -5.975 3.899 -8.524 1.00 0.00 C ATOM 1669 OG1 THR A 102 -4.810 3.390 -7.890 1.00 0.00 O ATOM 1670 CG2 THR A 102 -6.881 2.737 -8.935 1.00 0.00 C ATOM 0 H THR A 102 -4.340 5.771 -8.396 1.00 0.00 H new ATOM 0 HA THR A 102 -5.150 4.017 -10.504 1.00 0.00 H new ATOM 0 HB THR A 102 -6.513 4.549 -7.833 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.070 2.817 -7.139 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.168 2.169 -8.050 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.775 3.127 -9.422 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.346 2.086 -9.626 1.00 0.00 H new ATOM 1678 N GLU A 103 -7.058 6.603 -9.878 1.00 0.00 N ATOM 1679 CA GLU A 103 -8.237 7.356 -10.394 1.00 0.00 C ATOM 1680 C GLU A 103 -8.158 7.443 -11.919 1.00 0.00 C ATOM 1681 O GLU A 103 -7.501 8.307 -12.467 1.00 0.00 O ATOM 1682 CB GLU A 103 -8.244 8.766 -9.803 1.00 0.00 C ATOM 1683 CG GLU A 103 -9.532 9.485 -10.209 1.00 0.00 C ATOM 1684 CD GLU A 103 -9.493 10.929 -9.704 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -8.495 11.300 -9.109 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -10.462 11.638 -9.921 1.00 0.00 O ATOM 0 H GLU A 103 -6.511 7.087 -9.166 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.152 6.838 -10.105 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.170 8.716 -8.717 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.377 9.324 -10.157 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.642 9.471 -11.293 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.396 8.967 -9.794 1.00 0.00 H new