USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 709 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 83 HIS : no HE2:sc= 0.801 K(o=0.8,f=-2.7!) USER MOD Set 1.2: A 87 SER OG : rot 180:sc=-0.00249 USER MOD Set 2.1: A 64 SER OG : rot 177:sc= 2.33 USER MOD Set 2.2: A 67 SER OG : rot 61:sc= 1.24 USER MOD Set 3.1: A 13 GLN : amide:sc= 2 K(o=3.7,f=0.5) USER MOD Set 3.2: A 36 ASN : amide:sc= 1.74 K(o=3.7,f=-3.1) USER MOD Single : A 1 MET CE :methyl 130:sc=-0.00204 (180deg=-0.0834) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0418 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.04 K(o=1,f=-0.29) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.695 K(o=0.7,f=-2.4!) USER MOD Single : A 23 MET CE :methyl -169:sc= 0 (180deg=-0.372) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 1.2 (180deg=1.17) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.673 K(o=0.67,f=-3.5!) USER MOD Single : A 54 GLN : amide:sc=-0.00882 X(o=-0.0088,f=0) USER MOD Single : A 55 SER OG : rot 75:sc= 1.16 USER MOD Single : A 61 LYS NZ :NH3+ -155:sc= 1.27 (180deg=1.17) USER MOD Single : A 62 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0548 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc=-0.00494 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.626 -12.949 -0.583 1.00 0.00 N ATOM 2 CA MET A 1 -4.813 -13.644 0.449 1.00 0.00 C ATOM 3 C MET A 1 -5.607 -13.763 1.754 1.00 0.00 C ATOM 4 O MET A 1 -6.423 -12.898 2.073 1.00 0.00 O ATOM 5 CB MET A 1 -3.466 -12.937 0.722 1.00 0.00 C ATOM 6 CG MET A 1 -2.412 -13.150 -0.375 1.00 0.00 C ATOM 7 SD MET A 1 -0.890 -12.170 -0.181 1.00 0.00 S ATOM 8 CE MET A 1 -0.207 -12.821 1.371 1.00 0.00 C ATOM 0 H1 MET A 1 -5.008 -12.350 -1.167 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.096 -13.653 -1.187 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.344 -12.356 -0.119 1.00 0.00 H new ATOM 0 HA MET A 1 -4.586 -14.636 0.058 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.646 -11.868 0.836 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.065 -13.295 1.670 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.145 -14.206 -0.401 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.860 -12.911 -1.339 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.842 -13.079 1.227 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.291 -12.064 2.151 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.762 -13.711 1.668 1.00 0.00 H new ATOM 20 N LEU A 2 -5.335 -14.816 2.529 1.00 0.00 N ATOM 21 CA LEU A 2 -5.856 -15.066 3.870 1.00 0.00 C ATOM 22 C LEU A 2 -4.659 -15.318 4.796 1.00 0.00 C ATOM 23 O LEU A 2 -3.515 -15.381 4.329 1.00 0.00 O ATOM 24 CB LEU A 2 -6.790 -16.296 3.861 1.00 0.00 C ATOM 25 CG LEU A 2 -8.069 -16.165 3.011 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.857 -17.476 3.090 1.00 0.00 C ATOM 27 CD2 LEU A 2 -8.958 -15.012 3.484 1.00 0.00 C ATOM 0 H LEU A 2 -4.709 -15.558 2.217 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.433 -14.209 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.224 -17.155 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.081 -16.514 4.889 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.770 -15.954 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.764 -17.392 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.244 -18.292 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.124 -17.678 4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.847 -14.957 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.254 -15.182 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.406 -14.075 3.414 1.00 0.00 H new ATOM 39 N GLN A 3 -4.935 -15.497 6.090 1.00 0.00 N ATOM 40 CA GLN A 3 -3.958 -15.844 7.113 1.00 0.00 C ATOM 41 C GLN A 3 -4.461 -17.108 7.815 1.00 0.00 C ATOM 42 O GLN A 3 -5.650 -17.194 8.138 1.00 0.00 O ATOM 43 CB GLN A 3 -3.801 -14.671 8.104 1.00 0.00 C ATOM 44 CG GLN A 3 -2.691 -14.891 9.141 1.00 0.00 C ATOM 45 CD GLN A 3 -2.610 -13.747 10.156 1.00 0.00 C ATOM 46 OE1 GLN A 3 -3.162 -13.854 11.249 1.00 0.00 O ATOM 47 NE2 GLN A 3 -1.924 -12.653 9.860 1.00 0.00 N ATOM 0 H GLN A 3 -5.880 -15.400 6.463 1.00 0.00 H new ATOM 0 HA GLN A 3 -2.977 -16.033 6.678 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.590 -13.759 7.545 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.747 -14.515 8.623 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.869 -15.829 9.667 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.733 -14.989 8.630 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.467 -12.568 8.952 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.853 -11.896 10.540 1.00 0.00 H new ATOM 56 N TYR A 4 -3.563 -18.059 8.072 1.00 0.00 N ATOM 57 CA TYR A 4 -3.789 -19.261 8.871 1.00 0.00 C ATOM 58 C TYR A 4 -2.832 -19.223 10.067 1.00 0.00 C ATOM 59 O TYR A 4 -1.769 -18.599 10.003 1.00 0.00 O ATOM 60 CB TYR A 4 -3.517 -20.547 8.057 1.00 0.00 C ATOM 61 CG TYR A 4 -4.608 -21.116 7.155 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.681 -20.341 6.665 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.521 -22.475 6.786 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.646 -20.910 5.816 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.484 -23.053 5.938 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.554 -22.270 5.449 1.00 0.00 C ATOM 67 OH TYR A 4 -7.501 -22.813 4.631 1.00 0.00 O ATOM 0 H TYR A 4 -2.611 -18.008 7.710 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.831 -19.278 9.190 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.644 -20.358 7.432 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.240 -21.328 8.765 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.761 -19.301 6.945 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.706 -23.078 7.158 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.460 -20.305 5.444 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.405 -24.094 5.661 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.294 -23.758 4.473 1.00 0.00 H new ATOM 77 N ARG A 5 -3.159 -19.973 11.120 1.00 0.00 N ATOM 78 CA ARG A 5 -2.247 -20.349 12.199 1.00 0.00 C ATOM 79 C ARG A 5 -2.381 -21.859 12.345 1.00 0.00 C ATOM 80 O ARG A 5 -3.487 -22.382 12.206 1.00 0.00 O ATOM 81 CB ARG A 5 -2.607 -19.615 13.502 1.00 0.00 C ATOM 82 CG ARG A 5 -1.509 -19.711 14.582 1.00 0.00 C ATOM 83 CD ARG A 5 -2.096 -19.339 15.949 1.00 0.00 C ATOM 84 NE ARG A 5 -1.076 -19.268 17.010 1.00 0.00 N ATOM 85 CZ ARG A 5 -1.333 -19.042 18.307 1.00 0.00 C ATOM 86 NH1 ARG A 5 -2.582 -18.868 18.736 1.00 0.00 N ATOM 87 NH2 ARG A 5 -0.330 -18.993 19.173 1.00 0.00 N ATOM 0 H ARG A 5 -4.099 -20.348 11.249 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.217 -20.069 11.976 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.796 -18.565 13.279 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.534 -20.028 13.899 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.103 -20.722 14.613 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.684 -19.043 14.336 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.601 -18.376 15.872 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.852 -20.074 16.227 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.102 -19.401 16.738 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.358 -18.906 18.075 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.762 -18.697 19.725 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.629 -19.127 18.851 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.517 -18.822 20.161 1.00 0.00 H new ATOM 101 N ILE A 6 -1.283 -22.565 12.578 1.00 0.00 N ATOM 102 CA ILE A 6 -1.241 -24.022 12.603 1.00 0.00 C ATOM 103 C ILE A 6 -0.435 -24.390 13.848 1.00 0.00 C ATOM 104 O ILE A 6 0.578 -23.747 14.128 1.00 0.00 O ATOM 105 CB ILE A 6 -0.617 -24.572 11.292 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.306 -24.031 10.012 1.00 0.00 C ATOM 107 CG2 ILE A 6 -0.638 -26.112 11.289 1.00 0.00 C ATOM 108 CD1 ILE A 6 -0.473 -24.200 8.735 1.00 0.00 C ATOM 0 H ILE A 6 -0.377 -22.132 12.759 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.234 -24.468 12.655 1.00 0.00 H new ATOM 0 HB ILE A 6 0.413 -24.216 11.271 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.260 -24.542 9.882 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.528 -22.973 10.151 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.197 -26.480 10.363 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.065 -26.485 12.137 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.668 -26.462 11.365 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.024 -23.797 7.885 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.470 -23.665 8.842 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.273 -25.258 8.569 1.00 0.00 H new ATOM 120 N ILE A 7 -0.864 -25.417 14.578 1.00 0.00 N ATOM 121 CA ILE A 7 -0.227 -25.916 15.793 1.00 0.00 C ATOM 122 C ILE A 7 -0.026 -27.416 15.559 1.00 0.00 C ATOM 123 O ILE A 7 -0.915 -28.061 14.996 1.00 0.00 O ATOM 124 CB ILE A 7 -1.120 -25.631 17.030 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.585 -24.159 17.185 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.419 -26.096 18.321 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.463 -23.136 17.387 1.00 0.00 C ATOM 0 H ILE A 7 -1.700 -25.946 14.328 1.00 0.00 H new ATOM 0 HA ILE A 7 0.725 -25.425 15.996 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.029 -26.207 16.855 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.154 -23.880 16.298 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.267 -24.098 18.033 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.060 -25.888 19.178 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.225 -27.167 18.264 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.524 -25.562 18.435 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.893 -22.139 17.484 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.094 -23.381 18.291 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.209 -23.159 16.529 1.00 0.00 H new ATOM 139 N VAL A 8 1.120 -27.977 15.954 1.00 0.00 N ATOM 140 CA VAL A 8 1.479 -29.361 15.634 1.00 0.00 C ATOM 141 C VAL A 8 2.113 -30.015 16.864 1.00 0.00 C ATOM 142 O VAL A 8 2.833 -29.344 17.606 1.00 0.00 O ATOM 143 CB VAL A 8 2.440 -29.411 14.419 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.365 -30.787 13.744 1.00 0.00 C ATOM 145 CG2 VAL A 8 2.183 -28.346 13.337 1.00 0.00 C ATOM 0 H VAL A 8 1.824 -27.485 16.504 1.00 0.00 H new ATOM 0 HA VAL A 8 0.580 -29.914 15.363 1.00 0.00 H new ATOM 0 HB VAL A 8 3.424 -29.208 14.841 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.044 -30.812 12.892 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.651 -31.559 14.458 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.346 -30.969 13.402 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.907 -28.465 12.531 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.175 -28.466 12.940 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.285 -27.352 13.773 1.00 0.00 H new ATOM 155 N ASP A 9 1.901 -31.318 17.061 1.00 0.00 N ATOM 156 CA ASP A 9 2.462 -32.105 18.158 1.00 0.00 C ATOM 157 C ASP A 9 2.878 -33.489 17.648 1.00 0.00 C ATOM 158 O ASP A 9 2.371 -33.952 16.622 1.00 0.00 O ATOM 159 CB ASP A 9 1.422 -32.261 19.276 1.00 0.00 C ATOM 160 CG ASP A 9 1.995 -32.962 20.522 1.00 0.00 C ATOM 161 OD1 ASP A 9 3.191 -32.778 20.839 1.00 0.00 O ATOM 162 OD2 ASP A 9 1.235 -33.685 21.206 1.00 0.00 O ATOM 0 H ASP A 9 1.313 -31.872 16.438 1.00 0.00 H new ATOM 0 HA ASP A 9 3.337 -31.588 18.551 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.046 -31.277 19.557 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.573 -32.832 18.901 1.00 0.00 H new ATOM 167 N GLY A 10 3.805 -34.141 18.350 1.00 0.00 N ATOM 168 CA GLY A 10 4.342 -35.455 18.023 1.00 0.00 C ATOM 169 C GLY A 10 5.851 -35.473 18.231 1.00 0.00 C ATOM 170 O GLY A 10 6.395 -34.668 18.993 1.00 0.00 O ATOM 0 H GLY A 10 4.217 -33.749 19.197 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.872 -36.214 18.649 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.107 -35.705 16.988 1.00 0.00 H new ATOM 174 N ARG A 11 6.548 -36.359 17.517 1.00 0.00 N ATOM 175 CA ARG A 11 7.983 -36.223 17.283 1.00 0.00 C ATOM 176 C ARG A 11 8.148 -35.089 16.269 1.00 0.00 C ATOM 177 O ARG A 11 8.222 -35.344 15.066 1.00 0.00 O ATOM 178 CB ARG A 11 8.565 -37.554 16.778 1.00 0.00 C ATOM 179 CG ARG A 11 10.100 -37.533 16.651 1.00 0.00 C ATOM 180 CD ARG A 11 10.582 -38.359 15.451 1.00 0.00 C ATOM 181 NE ARG A 11 10.165 -39.771 15.526 1.00 0.00 N ATOM 182 CZ ARG A 11 10.076 -40.611 14.486 1.00 0.00 C ATOM 183 NH1 ARG A 11 10.408 -40.215 13.259 1.00 0.00 N ATOM 184 NH2 ARG A 11 9.645 -41.853 14.679 1.00 0.00 N ATOM 0 H ARG A 11 6.134 -37.186 17.087 1.00 0.00 H new ATOM 0 HA ARG A 11 8.528 -35.984 18.196 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.274 -38.353 17.460 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.129 -37.789 15.807 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.442 -36.504 16.545 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.546 -37.925 17.565 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.194 -37.918 14.533 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.669 -38.308 15.394 1.00 0.00 H new ATOM 0 HE ARG A 11 9.924 -40.139 16.446 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.735 -39.262 13.102 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.335 -40.865 12.476 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.384 -42.163 15.615 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.575 -42.497 13.891 1.00 0.00 H new ATOM 198 N VAL A 12 8.126 -33.845 16.742 1.00 0.00 N ATOM 199 CA VAL A 12 8.099 -32.653 15.894 1.00 0.00 C ATOM 200 C VAL A 12 9.153 -31.629 16.346 1.00 0.00 C ATOM 201 O VAL A 12 9.050 -30.449 16.013 1.00 0.00 O ATOM 202 CB VAL A 12 6.663 -32.081 15.819 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.682 -33.095 15.212 1.00 0.00 C ATOM 204 CG2 VAL A 12 6.117 -31.603 17.174 1.00 0.00 C ATOM 0 H VAL A 12 8.126 -33.632 17.740 1.00 0.00 H new ATOM 0 HA VAL A 12 8.375 -32.926 14.876 1.00 0.00 H new ATOM 0 HB VAL A 12 6.743 -31.209 15.170 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.684 -32.659 15.175 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.003 -33.352 14.203 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.662 -33.995 15.827 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.107 -31.215 17.043 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.097 -32.439 17.874 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.760 -30.816 17.568 1.00 0.00 H new ATOM 214 N GLN A 13 10.163 -32.061 17.112 1.00 0.00 N ATOM 215 CA GLN A 13 11.282 -31.227 17.544 1.00 0.00 C ATOM 216 C GLN A 13 12.564 -32.037 17.396 1.00 0.00 C ATOM 217 O GLN A 13 12.548 -33.252 17.618 1.00 0.00 O ATOM 218 CB GLN A 13 11.127 -30.795 19.013 1.00 0.00 C ATOM 219 CG GLN A 13 9.739 -30.255 19.376 1.00 0.00 C ATOM 220 CD GLN A 13 9.774 -29.386 20.633 1.00 0.00 C ATOM 221 OE1 GLN A 13 10.293 -29.778 21.676 1.00 0.00 O ATOM 222 NE2 GLN A 13 9.233 -28.183 20.554 1.00 0.00 N ATOM 0 H GLN A 13 10.222 -33.020 17.453 1.00 0.00 H new ATOM 0 HA GLN A 13 11.310 -30.327 16.929 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.350 -31.648 19.654 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.870 -30.028 19.233 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.348 -29.672 18.543 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.054 -31.089 19.531 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.806 -27.872 19.681 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.242 -27.565 21.366 1.00 0.00 H new ATOM 231 N GLY A 14 13.675 -31.377 17.078 1.00 0.00 N ATOM 232 CA GLY A 14 14.942 -32.039 16.820 1.00 0.00 C ATOM 233 C GLY A 14 14.854 -32.925 15.575 1.00 0.00 C ATOM 234 O GLY A 14 15.488 -33.983 15.535 1.00 0.00 O ATOM 0 H GLY A 14 13.717 -30.361 16.993 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.725 -31.293 16.685 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.223 -32.644 17.682 1.00 0.00 H new ATOM 238 N VAL A 15 14.058 -32.525 14.581 1.00 0.00 N ATOM 239 CA VAL A 15 13.791 -33.285 13.359 1.00 0.00 C ATOM 240 C VAL A 15 13.908 -32.395 12.114 1.00 0.00 C ATOM 241 O VAL A 15 13.765 -32.896 10.995 1.00 0.00 O ATOM 242 CB VAL A 15 12.424 -34.008 13.445 1.00 0.00 C ATOM 243 CG1 VAL A 15 12.444 -35.154 14.466 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.256 -33.066 13.764 1.00 0.00 C ATOM 0 H VAL A 15 13.565 -31.632 14.606 1.00 0.00 H new ATOM 0 HA VAL A 15 14.554 -34.058 13.262 1.00 0.00 H new ATOM 0 HB VAL A 15 12.260 -34.416 12.448 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.466 -35.633 14.494 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.199 -35.886 14.177 1.00 0.00 H new ATOM 0 HG13 VAL A 15 12.682 -34.758 15.453 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.329 -33.638 13.809 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.431 -32.582 14.725 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.177 -32.308 12.985 1.00 0.00 H new ATOM 254 N GLY A 16 14.193 -31.101 12.272 1.00 0.00 N ATOM 255 CA GLY A 16 14.279 -30.155 11.182 1.00 0.00 C ATOM 256 C GLY A 16 12.895 -29.608 10.858 1.00 0.00 C ATOM 257 O GLY A 16 12.656 -29.263 9.700 1.00 0.00 O ATOM 0 H GLY A 16 14.373 -30.683 13.185 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.949 -29.338 11.451 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.703 -30.639 10.302 1.00 0.00 H new ATOM 261 N PHE A 17 11.964 -29.573 11.817 1.00 0.00 N ATOM 262 CA PHE A 17 10.597 -29.153 11.547 1.00 0.00 C ATOM 263 C PHE A 17 10.584 -27.686 11.118 1.00 0.00 C ATOM 264 O PHE A 17 9.987 -27.357 10.092 1.00 0.00 O ATOM 265 CB PHE A 17 9.677 -29.405 12.752 1.00 0.00 C ATOM 266 CG PHE A 17 8.232 -29.654 12.354 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.433 -28.610 11.850 1.00 0.00 C ATOM 268 CD2 PHE A 17 7.688 -30.947 12.461 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.108 -28.861 11.445 1.00 0.00 C ATOM 270 CE2 PHE A 17 6.365 -31.198 12.058 1.00 0.00 C ATOM 271 CZ PHE A 17 5.577 -30.158 11.539 1.00 0.00 C ATOM 0 H PHE A 17 12.139 -29.832 12.788 1.00 0.00 H new ATOM 0 HA PHE A 17 10.202 -29.755 10.729 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.047 -30.264 13.311 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.721 -28.546 13.421 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.838 -27.612 11.774 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.291 -31.752 12.855 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.499 -28.055 11.062 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.954 -32.193 12.148 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.566 -30.355 11.213 1.00 0.00 H new ATOM 281 N ARG A 18 11.290 -26.801 11.834 1.00 0.00 N ATOM 282 CA ARG A 18 11.408 -25.394 11.437 1.00 0.00 C ATOM 283 C ARG A 18 11.959 -25.257 10.018 1.00 0.00 C ATOM 284 O ARG A 18 11.414 -24.488 9.227 1.00 0.00 O ATOM 285 CB ARG A 18 12.292 -24.651 12.453 1.00 0.00 C ATOM 286 CG ARG A 18 11.493 -24.252 13.701 1.00 0.00 C ATOM 287 CD ARG A 18 12.405 -23.820 14.855 1.00 0.00 C ATOM 288 NE ARG A 18 12.979 -24.975 15.565 1.00 0.00 N ATOM 289 CZ ARG A 18 13.616 -24.932 16.736 1.00 0.00 C ATOM 290 NH1 ARG A 18 13.849 -23.764 17.341 1.00 0.00 N ATOM 291 NH2 ARG A 18 14.000 -26.055 17.320 1.00 0.00 N ATOM 0 H ARG A 18 11.788 -27.036 12.692 1.00 0.00 H new ATOM 0 HA ARG A 18 10.415 -24.945 11.434 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.129 -25.286 12.742 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.714 -23.760 11.988 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.814 -23.437 13.451 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.877 -25.093 14.021 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.210 -23.196 14.467 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.838 -23.208 15.556 1.00 0.00 H new ATOM 0 HE ARG A 18 12.881 -25.889 15.122 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.539 -22.894 16.908 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.337 -23.742 18.236 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.809 -26.953 16.875 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.487 -26.023 18.216 1.00 0.00 H new ATOM 305 N TYR A 19 13.009 -26.011 9.682 1.00 0.00 N ATOM 306 CA TYR A 19 13.636 -25.948 8.367 1.00 0.00 C ATOM 307 C TYR A 19 12.679 -26.450 7.282 1.00 0.00 C ATOM 308 O TYR A 19 12.541 -25.811 6.238 1.00 0.00 O ATOM 309 CB TYR A 19 14.947 -26.752 8.400 1.00 0.00 C ATOM 310 CG TYR A 19 15.771 -26.726 7.124 1.00 0.00 C ATOM 311 CD1 TYR A 19 16.099 -25.502 6.505 1.00 0.00 C ATOM 312 CD2 TYR A 19 16.258 -27.932 6.580 1.00 0.00 C ATOM 313 CE1 TYR A 19 16.899 -25.481 5.348 1.00 0.00 C ATOM 314 CE2 TYR A 19 17.064 -27.919 5.428 1.00 0.00 C ATOM 315 CZ TYR A 19 17.388 -26.692 4.804 1.00 0.00 C ATOM 316 OH TYR A 19 18.181 -26.690 3.695 1.00 0.00 O ATOM 0 H TYR A 19 13.445 -26.680 10.316 1.00 0.00 H new ATOM 0 HA TYR A 19 13.871 -24.913 8.118 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.563 -26.373 9.216 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.709 -27.789 8.635 1.00 0.00 H new ATOM 0 HD1 TYR A 19 15.734 -24.575 6.922 1.00 0.00 H new ATOM 0 HD2 TYR A 19 16.010 -28.872 7.051 1.00 0.00 H new ATOM 0 HE1 TYR A 19 17.140 -24.540 4.875 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.436 -28.847 5.019 1.00 0.00 H new ATOM 0 HH TYR A 19 18.423 -27.611 3.464 1.00 0.00 H new ATOM 326 N PHE A 20 11.970 -27.554 7.536 1.00 0.00 N ATOM 327 CA PHE A 20 10.968 -28.089 6.627 1.00 0.00 C ATOM 328 C PHE A 20 9.895 -27.038 6.348 1.00 0.00 C ATOM 329 O PHE A 20 9.642 -26.726 5.188 1.00 0.00 O ATOM 330 CB PHE A 20 10.373 -29.379 7.211 1.00 0.00 C ATOM 331 CG PHE A 20 9.175 -29.915 6.452 1.00 0.00 C ATOM 332 CD1 PHE A 20 9.357 -30.597 5.233 1.00 0.00 C ATOM 333 CD2 PHE A 20 7.874 -29.730 6.961 1.00 0.00 C ATOM 334 CE1 PHE A 20 8.246 -31.106 4.538 1.00 0.00 C ATOM 335 CE2 PHE A 20 6.764 -30.232 6.260 1.00 0.00 C ATOM 336 CZ PHE A 20 6.950 -30.928 5.053 1.00 0.00 C ATOM 0 H PHE A 20 12.081 -28.102 8.389 1.00 0.00 H new ATOM 0 HA PHE A 20 11.433 -28.339 5.673 1.00 0.00 H new ATOM 0 HB2 PHE A 20 11.148 -30.145 7.231 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.080 -29.194 8.245 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.351 -30.729 4.832 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.730 -29.201 7.892 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.388 -31.635 3.607 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.768 -30.083 6.649 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.098 -31.326 4.522 1.00 0.00 H new ATOM 346 N VAL A 21 9.308 -26.440 7.388 1.00 0.00 N ATOM 347 CA VAL A 21 8.258 -25.439 7.227 1.00 0.00 C ATOM 348 C VAL A 21 8.793 -24.221 6.458 1.00 0.00 C ATOM 349 O VAL A 21 8.107 -23.721 5.568 1.00 0.00 O ATOM 350 CB VAL A 21 7.680 -25.085 8.611 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.636 -23.970 8.540 1.00 0.00 C ATOM 352 CG2 VAL A 21 6.972 -26.296 9.236 1.00 0.00 C ATOM 0 H VAL A 21 9.548 -26.637 8.360 1.00 0.00 H new ATOM 0 HA VAL A 21 7.440 -25.837 6.627 1.00 0.00 H new ATOM 0 HB VAL A 21 8.534 -24.764 9.208 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.260 -23.759 9.541 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.092 -23.070 8.126 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.810 -24.285 7.902 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.573 -26.020 10.212 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.156 -26.615 8.587 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.684 -27.113 9.353 1.00 0.00 H new ATOM 362 N GLN A 22 10.024 -23.775 6.740 1.00 0.00 N ATOM 363 CA GLN A 22 10.670 -22.686 6.018 1.00 0.00 C ATOM 364 C GLN A 22 10.762 -23.001 4.523 1.00 0.00 C ATOM 365 O GLN A 22 10.471 -22.121 3.710 1.00 0.00 O ATOM 366 CB GLN A 22 12.033 -22.406 6.661 1.00 0.00 C ATOM 367 CG GLN A 22 12.830 -21.278 5.996 1.00 0.00 C ATOM 368 CD GLN A 22 12.218 -19.890 6.167 1.00 0.00 C ATOM 369 OE1 GLN A 22 12.488 -19.175 7.127 1.00 0.00 O ATOM 370 NE2 GLN A 22 11.400 -19.463 5.223 1.00 0.00 N ATOM 0 H GLN A 22 10.600 -24.168 7.484 1.00 0.00 H new ATOM 0 HA GLN A 22 10.073 -21.777 6.091 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.881 -22.156 7.711 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.628 -23.319 6.634 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.839 -21.270 6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.922 -21.493 4.931 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.181 -20.064 4.428 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.987 -18.533 5.288 1.00 0.00 H new ATOM 379 N MET A 23 11.138 -24.225 4.150 1.00 0.00 N ATOM 380 CA MET A 23 11.247 -24.605 2.744 1.00 0.00 C ATOM 381 C MET A 23 9.870 -24.801 2.106 1.00 0.00 C ATOM 382 O MET A 23 9.690 -24.431 0.949 1.00 0.00 O ATOM 383 CB MET A 23 12.064 -25.897 2.595 1.00 0.00 C ATOM 384 CG MET A 23 13.545 -25.702 2.938 1.00 0.00 C ATOM 385 SD MET A 23 14.577 -27.170 2.661 1.00 0.00 S ATOM 386 CE MET A 23 13.919 -28.282 3.935 1.00 0.00 C ATOM 0 H MET A 23 11.372 -24.971 4.805 1.00 0.00 H new ATOM 0 HA MET A 23 11.755 -23.790 2.228 1.00 0.00 H new ATOM 0 HB2 MET A 23 11.643 -26.665 3.244 1.00 0.00 H new ATOM 0 HB3 MET A 23 11.977 -26.261 1.571 1.00 0.00 H new ATOM 0 HG2 MET A 23 13.938 -24.878 2.342 1.00 0.00 H new ATOM 0 HG3 MET A 23 13.628 -25.407 3.984 1.00 0.00 H new ATOM 0 HE1 MET A 23 14.570 -29.151 4.031 1.00 0.00 H new ATOM 0 HE2 MET A 23 13.873 -27.756 4.889 1.00 0.00 H new ATOM 0 HE3 MET A 23 12.918 -28.608 3.652 1.00 0.00 H new ATOM 396 N GLU A 24 8.884 -25.350 2.820 1.00 0.00 N ATOM 397 CA GLU A 24 7.539 -25.521 2.285 1.00 0.00 C ATOM 398 C GLU A 24 6.895 -24.158 2.021 1.00 0.00 C ATOM 399 O GLU A 24 6.212 -23.986 1.009 1.00 0.00 O ATOM 400 CB GLU A 24 6.681 -26.352 3.254 1.00 0.00 C ATOM 401 CG GLU A 24 7.042 -27.847 3.280 1.00 0.00 C ATOM 402 CD GLU A 24 6.952 -28.500 1.893 1.00 0.00 C ATOM 403 OE1 GLU A 24 5.838 -28.574 1.327 1.00 0.00 O ATOM 404 OE2 GLU A 24 7.992 -28.905 1.329 1.00 0.00 O ATOM 0 H GLU A 24 8.998 -25.685 3.777 1.00 0.00 H new ATOM 0 HA GLU A 24 7.603 -26.058 1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.788 -25.945 4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.632 -26.246 2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.053 -27.966 3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.373 -28.367 3.966 1.00 0.00 H new ATOM 411 N ALA A 25 7.150 -23.177 2.892 1.00 0.00 N ATOM 412 CA ALA A 25 6.719 -21.808 2.687 1.00 0.00 C ATOM 413 C ALA A 25 7.449 -21.188 1.496 1.00 0.00 C ATOM 414 O ALA A 25 6.804 -20.553 0.661 1.00 0.00 O ATOM 415 CB ALA A 25 6.979 -20.997 3.956 1.00 0.00 C ATOM 0 H ALA A 25 7.665 -23.320 3.761 1.00 0.00 H new ATOM 0 HA ALA A 25 5.651 -21.799 2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.655 -19.968 3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.423 -21.432 4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.044 -21.012 4.185 1.00 0.00 H new ATOM 421 N ASP A 26 8.767 -21.393 1.392 1.00 0.00 N ATOM 422 CA ASP A 26 9.588 -20.877 0.294 1.00 0.00 C ATOM 423 C ASP A 26 9.085 -21.390 -1.057 1.00 0.00 C ATOM 424 O ASP A 26 8.914 -20.616 -2.000 1.00 0.00 O ATOM 425 CB ASP A 26 11.053 -21.295 0.471 1.00 0.00 C ATOM 426 CG ASP A 26 11.924 -20.664 -0.626 1.00 0.00 C ATOM 427 OD1 ASP A 26 12.213 -19.449 -0.549 1.00 0.00 O ATOM 428 OD2 ASP A 26 12.341 -21.383 -1.560 1.00 0.00 O ATOM 0 H ASP A 26 9.299 -21.929 2.078 1.00 0.00 H new ATOM 0 HA ASP A 26 9.513 -19.790 0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.411 -20.984 1.453 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.136 -22.381 0.431 1.00 0.00 H new ATOM 433 N LYS A 27 8.768 -22.686 -1.123 1.00 0.00 N ATOM 434 CA LYS A 27 8.255 -23.386 -2.300 1.00 0.00 C ATOM 435 C LYS A 27 6.977 -22.744 -2.854 1.00 0.00 C ATOM 436 O LYS A 27 6.724 -22.851 -4.054 1.00 0.00 O ATOM 437 CB LYS A 27 8.111 -24.876 -1.922 1.00 0.00 C ATOM 438 CG LYS A 27 7.426 -25.802 -2.945 1.00 0.00 C ATOM 439 CD LYS A 27 5.901 -25.935 -2.758 1.00 0.00 C ATOM 440 CE LYS A 27 5.469 -26.597 -1.436 1.00 0.00 C ATOM 441 NZ LYS A 27 5.871 -28.022 -1.349 1.00 0.00 N ATOM 0 H LYS A 27 8.868 -23.304 -0.317 1.00 0.00 H new ATOM 0 HA LYS A 27 8.952 -23.304 -3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.107 -25.271 -1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.553 -24.934 -0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.626 -25.427 -3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.876 -26.793 -2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.454 -24.942 -2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.496 -26.514 -3.588 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.906 -26.049 -0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.386 -26.523 -1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.570 -28.412 -0.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.420 -28.557 -2.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.905 -28.097 -1.434 1.00 0.00 H new ATOM 455 N ARG A 28 6.191 -22.050 -2.024 1.00 0.00 N ATOM 456 CA ARG A 28 4.957 -21.364 -2.429 1.00 0.00 C ATOM 457 C ARG A 28 5.032 -19.851 -2.184 1.00 0.00 C ATOM 458 O ARG A 28 4.010 -19.174 -2.294 1.00 0.00 O ATOM 459 CB ARG A 28 3.749 -22.050 -1.751 1.00 0.00 C ATOM 460 CG ARG A 28 3.018 -22.985 -2.731 1.00 0.00 C ATOM 461 CD ARG A 28 1.929 -23.783 -2.005 1.00 0.00 C ATOM 462 NE ARG A 28 1.139 -24.660 -2.896 1.00 0.00 N ATOM 463 CZ ARG A 28 0.125 -24.291 -3.694 1.00 0.00 C ATOM 464 NH1 ARG A 28 -0.036 -23.023 -4.066 1.00 0.00 N ATOM 465 NH2 ARG A 28 -0.757 -25.195 -4.095 1.00 0.00 N ATOM 0 H ARG A 28 6.398 -21.947 -1.031 1.00 0.00 H new ATOM 0 HA ARG A 28 4.824 -21.457 -3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.089 -22.619 -0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.057 -21.293 -1.382 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.572 -22.400 -3.536 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.732 -23.669 -3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.394 -24.392 -1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.255 -23.088 -1.504 1.00 0.00 H new ATOM 0 HE ARG A 28 1.391 -25.648 -2.905 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.618 -22.310 -3.744 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.814 -22.764 -4.673 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.663 -26.166 -3.797 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.530 -24.920 -4.702 1.00 0.00 H new ATOM 479 N LYS A 29 6.224 -19.310 -1.893 1.00 0.00 N ATOM 480 CA LYS A 29 6.479 -17.901 -1.577 1.00 0.00 C ATOM 481 C LYS A 29 5.427 -17.322 -0.615 1.00 0.00 C ATOM 482 O LYS A 29 4.931 -16.210 -0.820 1.00 0.00 O ATOM 483 CB LYS A 29 6.660 -17.082 -2.871 1.00 0.00 C ATOM 484 CG LYS A 29 7.837 -17.579 -3.728 1.00 0.00 C ATOM 485 CD LYS A 29 8.029 -16.689 -4.966 1.00 0.00 C ATOM 486 CE LYS A 29 9.255 -17.097 -5.801 1.00 0.00 C ATOM 487 NZ LYS A 29 9.105 -18.423 -6.453 1.00 0.00 N ATOM 0 H LYS A 29 7.075 -19.871 -1.871 1.00 0.00 H new ATOM 0 HA LYS A 29 7.420 -17.833 -1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.743 -17.130 -3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.820 -16.035 -2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.750 -17.582 -3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.656 -18.608 -4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.136 -16.741 -5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.138 -15.651 -4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.433 -16.341 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.135 -17.113 -5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.963 -18.640 -7.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.964 -19.153 -5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.283 -18.405 -7.090 1.00 0.00 H new ATOM 501 N LEU A 30 5.060 -18.086 0.420 1.00 0.00 N ATOM 502 CA LEU A 30 4.205 -17.602 1.497 1.00 0.00 C ATOM 503 C LEU A 30 4.916 -16.478 2.260 1.00 0.00 C ATOM 504 O LEU A 30 6.139 -16.330 2.174 1.00 0.00 O ATOM 505 CB LEU A 30 3.861 -18.751 2.464 1.00 0.00 C ATOM 506 CG LEU A 30 3.014 -19.892 1.873 1.00 0.00 C ATOM 507 CD1 LEU A 30 2.737 -20.935 2.959 1.00 0.00 C ATOM 508 CD2 LEU A 30 1.670 -19.407 1.321 1.00 0.00 C ATOM 0 H LEU A 30 5.351 -19.058 0.530 1.00 0.00 H new ATOM 0 HA LEU A 30 3.281 -17.217 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.792 -19.173 2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.329 -18.334 3.319 1.00 0.00 H new ATOM 0 HG LEU A 30 3.586 -20.316 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.137 -21.744 2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.681 -21.336 3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.195 -20.468 3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.115 -20.254 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.093 -18.944 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.843 -18.677 0.530 1.00 0.00 H new ATOM 520 N ALA A 31 4.157 -15.741 3.070 1.00 0.00 N ATOM 521 CA ALA A 31 4.685 -14.897 4.137 1.00 0.00 C ATOM 522 C ALA A 31 4.234 -15.494 5.470 1.00 0.00 C ATOM 523 O ALA A 31 3.273 -16.265 5.489 1.00 0.00 O ATOM 524 CB ALA A 31 4.182 -13.462 3.962 1.00 0.00 C ATOM 0 H ALA A 31 3.140 -15.714 3.000 1.00 0.00 H new ATOM 0 HA ALA A 31 5.774 -14.862 4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.580 -12.837 4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.515 -13.075 2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.093 -13.451 4.001 1.00 0.00 H new ATOM 530 N GLY A 32 4.916 -15.184 6.574 1.00 0.00 N ATOM 531 CA GLY A 32 4.567 -15.723 7.884 1.00 0.00 C ATOM 532 C GLY A 32 5.787 -16.003 8.750 1.00 0.00 C ATOM 533 O GLY A 32 6.878 -15.481 8.497 1.00 0.00 O ATOM 0 H GLY A 32 5.720 -14.556 6.583 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.915 -15.018 8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.000 -16.645 7.753 1.00 0.00 H new ATOM 537 N TRP A 33 5.619 -16.836 9.774 1.00 0.00 N ATOM 538 CA TRP A 33 6.720 -17.328 10.577 1.00 0.00 C ATOM 539 C TRP A 33 6.431 -18.705 11.182 1.00 0.00 C ATOM 540 O TRP A 33 5.288 -19.168 11.198 1.00 0.00 O ATOM 541 CB TRP A 33 7.090 -16.291 11.651 1.00 0.00 C ATOM 542 CG TRP A 33 5.978 -15.838 12.550 1.00 0.00 C ATOM 543 CD1 TRP A 33 5.601 -16.431 13.704 1.00 0.00 C ATOM 544 CD2 TRP A 33 5.089 -14.688 12.387 1.00 0.00 C ATOM 545 NE1 TRP A 33 4.558 -15.729 14.272 1.00 0.00 N ATOM 546 CE2 TRP A 33 4.206 -14.636 13.507 1.00 0.00 C ATOM 547 CE3 TRP A 33 4.948 -13.677 11.411 1.00 0.00 C ATOM 548 CZ2 TRP A 33 3.246 -13.623 13.657 1.00 0.00 C ATOM 549 CZ3 TRP A 33 3.974 -12.668 11.542 1.00 0.00 C ATOM 550 CH2 TRP A 33 3.126 -12.638 12.663 1.00 0.00 C ATOM 0 H TRP A 33 4.707 -17.187 10.067 1.00 0.00 H new ATOM 0 HA TRP A 33 7.580 -17.467 9.922 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.882 -16.709 12.272 1.00 0.00 H new ATOM 0 HB3 TRP A 33 7.505 -15.415 11.152 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.049 -17.321 14.120 1.00 0.00 H new ATOM 0 HE1 TRP A 33 4.104 -15.986 15.148 1.00 0.00 H new ATOM 0 HE3 TRP A 33 5.599 -13.678 10.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.607 -13.601 14.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.878 -11.912 10.776 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.384 -11.859 12.760 1.00 0.00 H new ATOM 561 N VAL A 34 7.472 -19.340 11.725 1.00 0.00 N ATOM 562 CA VAL A 34 7.402 -20.613 12.441 1.00 0.00 C ATOM 563 C VAL A 34 8.277 -20.519 13.691 1.00 0.00 C ATOM 564 O VAL A 34 9.349 -19.908 13.653 1.00 0.00 O ATOM 565 CB VAL A 34 7.816 -21.776 11.505 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.243 -21.663 10.940 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.672 -23.147 12.183 1.00 0.00 C ATOM 0 H VAL A 34 8.420 -18.967 11.676 1.00 0.00 H new ATOM 0 HA VAL A 34 6.380 -20.822 12.759 1.00 0.00 H new ATOM 0 HB VAL A 34 7.120 -21.692 10.671 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.448 -22.518 10.296 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.334 -20.743 10.362 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.959 -21.647 11.761 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.974 -23.930 11.488 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.307 -23.183 13.068 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.633 -23.301 12.475 1.00 0.00 H new ATOM 577 N LYS A 35 7.853 -21.164 14.781 1.00 0.00 N ATOM 578 CA LYS A 35 8.679 -21.382 15.966 1.00 0.00 C ATOM 579 C LYS A 35 8.356 -22.758 16.543 1.00 0.00 C ATOM 580 O LYS A 35 7.289 -23.320 16.273 1.00 0.00 O ATOM 581 CB LYS A 35 8.494 -20.246 16.994 1.00 0.00 C ATOM 582 CG LYS A 35 7.077 -20.161 17.587 1.00 0.00 C ATOM 583 CD LYS A 35 6.946 -19.113 18.702 1.00 0.00 C ATOM 584 CE LYS A 35 7.640 -19.573 19.995 1.00 0.00 C ATOM 585 NZ LYS A 35 7.487 -18.591 21.094 1.00 0.00 N ATOM 0 H LYS A 35 6.914 -21.554 14.864 1.00 0.00 H new ATOM 0 HA LYS A 35 9.734 -21.363 15.692 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.208 -20.385 17.806 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.734 -19.296 16.517 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.371 -19.924 16.791 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.797 -21.138 17.981 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.382 -18.171 18.370 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.891 -18.923 18.902 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.225 -20.532 20.307 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.700 -19.733 19.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.971 -18.944 21.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.906 -17.683 20.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.477 -18.456 21.301 1.00 0.00 H new ATOM 599 N ASN A 36 9.262 -23.292 17.359 1.00 0.00 N ATOM 600 CA ASN A 36 9.128 -24.622 17.942 1.00 0.00 C ATOM 601 C ASN A 36 9.250 -24.454 19.452 1.00 0.00 C ATOM 602 O ASN A 36 10.270 -23.971 19.948 1.00 0.00 O ATOM 603 CB ASN A 36 10.160 -25.587 17.327 1.00 0.00 C ATOM 604 CG ASN A 36 9.645 -27.020 17.275 1.00 0.00 C ATOM 605 OD1 ASN A 36 8.674 -27.354 17.948 1.00 0.00 O ATOM 606 ND2 ASN A 36 10.233 -27.879 16.462 1.00 0.00 N ATOM 0 H ASN A 36 10.116 -22.808 17.636 1.00 0.00 H new ATOM 0 HA ASN A 36 8.162 -25.076 17.722 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.410 -25.255 16.319 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.080 -25.554 17.911 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.881 -28.833 16.387 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.039 -27.588 15.909 1.00 0.00 H new ATOM 613 N ARG A 37 8.147 -24.693 20.158 1.00 0.00 N ATOM 614 CA ARG A 37 7.857 -24.122 21.472 1.00 0.00 C ATOM 615 C ARG A 37 8.493 -24.961 22.574 1.00 0.00 C ATOM 616 O ARG A 37 8.673 -26.170 22.421 1.00 0.00 O ATOM 617 CB ARG A 37 6.330 -24.100 21.670 1.00 0.00 C ATOM 618 CG ARG A 37 5.544 -23.261 20.638 1.00 0.00 C ATOM 619 CD ARG A 37 4.083 -23.719 20.515 1.00 0.00 C ATOM 620 NE ARG A 37 3.416 -23.880 21.816 1.00 0.00 N ATOM 621 CZ ARG A 37 2.606 -23.007 22.427 1.00 0.00 C ATOM 622 NH1 ARG A 37 2.380 -21.795 21.927 1.00 0.00 N ATOM 623 NH2 ARG A 37 2.017 -23.364 23.560 1.00 0.00 N ATOM 0 H ARG A 37 7.407 -25.309 19.821 1.00 0.00 H new ATOM 0 HA ARG A 37 8.266 -23.113 21.523 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.961 -25.125 21.638 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.115 -23.715 22.667 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.571 -22.211 20.929 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.030 -23.335 19.665 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.530 -22.994 19.918 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.050 -24.666 19.977 1.00 0.00 H new ATOM 0 HE ARG A 37 3.590 -24.756 22.308 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.829 -21.511 21.056 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.758 -21.150 22.414 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.184 -24.291 23.952 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.396 -22.712 24.040 1.00 0.00 H new ATOM 637 N ASP A 38 8.751 -24.346 23.728 1.00 0.00 N ATOM 638 CA ASP A 38 9.277 -25.052 24.899 1.00 0.00 C ATOM 639 C ASP A 38 8.280 -26.083 25.440 1.00 0.00 C ATOM 640 O ASP A 38 8.685 -27.102 25.996 1.00 0.00 O ATOM 641 CB ASP A 38 9.643 -24.045 25.995 1.00 0.00 C ATOM 642 CG ASP A 38 10.168 -24.751 27.257 1.00 0.00 C ATOM 643 OD1 ASP A 38 11.314 -25.254 27.241 1.00 0.00 O ATOM 644 OD2 ASP A 38 9.457 -24.768 28.287 1.00 0.00 O ATOM 0 H ASP A 38 8.602 -23.348 23.879 1.00 0.00 H new ATOM 0 HA ASP A 38 10.171 -25.593 24.587 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.401 -23.357 25.620 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.767 -23.448 26.249 1.00 0.00 H new ATOM 649 N ASP A 39 6.979 -25.852 25.233 1.00 0.00 N ATOM 650 CA ASP A 39 5.913 -26.782 25.613 1.00 0.00 C ATOM 651 C ASP A 39 5.873 -28.047 24.739 1.00 0.00 C ATOM 652 O ASP A 39 5.110 -28.968 25.040 1.00 0.00 O ATOM 653 CB ASP A 39 4.541 -26.085 25.656 1.00 0.00 C ATOM 654 CG ASP A 39 3.739 -26.111 24.349 1.00 0.00 C ATOM 655 OD1 ASP A 39 4.314 -26.164 23.242 1.00 0.00 O ATOM 656 OD2 ASP A 39 2.499 -25.955 24.414 1.00 0.00 O ATOM 0 H ASP A 39 6.633 -25.001 24.790 1.00 0.00 H new ATOM 0 HA ASP A 39 6.152 -27.117 26.622 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.942 -26.552 26.438 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.691 -25.046 25.948 1.00 0.00 H new ATOM 661 N GLY A 40 6.689 -28.109 23.681 1.00 0.00 N ATOM 662 CA GLY A 40 6.867 -29.288 22.845 1.00 0.00 C ATOM 663 C GLY A 40 6.173 -29.185 21.486 1.00 0.00 C ATOM 664 O GLY A 40 6.481 -29.981 20.597 1.00 0.00 O ATOM 0 H GLY A 40 7.256 -27.317 23.380 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.933 -29.454 22.688 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.483 -30.160 23.375 1.00 0.00 H new ATOM 668 N ARG A 41 5.239 -28.245 21.300 1.00 0.00 N ATOM 669 CA ARG A 41 4.483 -28.125 20.059 1.00 0.00 C ATOM 670 C ARG A 41 5.231 -27.234 19.079 1.00 0.00 C ATOM 671 O ARG A 41 5.993 -26.358 19.477 1.00 0.00 O ATOM 672 CB ARG A 41 3.073 -27.584 20.357 1.00 0.00 C ATOM 673 CG ARG A 41 2.234 -28.652 21.073 1.00 0.00 C ATOM 674 CD ARG A 41 0.808 -28.188 21.382 1.00 0.00 C ATOM 675 NE ARG A 41 0.756 -27.285 22.543 1.00 0.00 N ATOM 676 CZ ARG A 41 -0.355 -26.872 23.162 1.00 0.00 C ATOM 677 NH1 ARG A 41 -1.564 -27.159 22.681 1.00 0.00 N ATOM 678 NH2 ARG A 41 -0.228 -26.170 24.279 1.00 0.00 N ATOM 0 H ARG A 41 4.991 -27.551 22.005 1.00 0.00 H new ATOM 0 HA ARG A 41 4.375 -29.107 19.599 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.142 -26.690 20.977 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.585 -27.290 19.428 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.192 -29.548 20.454 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.729 -28.931 22.003 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.396 -27.680 20.510 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.178 -29.057 21.571 1.00 0.00 H new ATOM 0 HE ARG A 41 1.646 -26.944 22.908 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.656 -27.704 21.824 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.398 -26.833 23.170 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.700 -25.958 24.645 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.058 -25.842 24.772 1.00 0.00 H new ATOM 692 N VAL A 42 4.970 -27.404 17.792 1.00 0.00 N ATOM 693 CA VAL A 42 5.314 -26.396 16.795 1.00 0.00 C ATOM 694 C VAL A 42 4.141 -25.418 16.764 1.00 0.00 C ATOM 695 O VAL A 42 2.992 -25.843 16.945 1.00 0.00 O ATOM 696 CB VAL A 42 5.535 -27.028 15.399 1.00 0.00 C ATOM 697 CG1 VAL A 42 6.331 -26.085 14.484 1.00 0.00 C ATOM 698 CG2 VAL A 42 6.263 -28.378 15.442 1.00 0.00 C ATOM 0 H VAL A 42 4.518 -28.235 17.410 1.00 0.00 H new ATOM 0 HA VAL A 42 6.248 -25.898 17.054 1.00 0.00 H new ATOM 0 HB VAL A 42 4.533 -27.196 15.005 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.471 -26.555 13.511 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.784 -25.150 14.360 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.304 -25.880 14.931 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.382 -28.760 14.428 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.244 -28.248 15.898 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.681 -29.087 16.030 1.00 0.00 H new ATOM 708 N GLU A 43 4.398 -24.147 16.451 1.00 0.00 N ATOM 709 CA GLU A 43 3.352 -23.280 15.925 1.00 0.00 C ATOM 710 C GLU A 43 3.872 -22.523 14.709 1.00 0.00 C ATOM 711 O GLU A 43 5.075 -22.289 14.549 1.00 0.00 O ATOM 712 CB GLU A 43 2.759 -22.344 16.990 1.00 0.00 C ATOM 713 CG GLU A 43 3.673 -21.206 17.416 1.00 0.00 C ATOM 714 CD GLU A 43 3.028 -20.352 18.512 1.00 0.00 C ATOM 715 OE1 GLU A 43 2.168 -19.503 18.185 1.00 0.00 O ATOM 716 OE2 GLU A 43 3.371 -20.537 19.699 1.00 0.00 O ATOM 0 H GLU A 43 5.311 -23.703 16.552 1.00 0.00 H new ATOM 0 HA GLU A 43 2.521 -23.910 15.609 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.830 -21.922 16.606 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.502 -22.934 17.870 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.618 -21.612 17.778 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.904 -20.580 16.554 1.00 0.00 H new ATOM 723 N ILE A 44 2.938 -22.153 13.845 1.00 0.00 N ATOM 724 CA ILE A 44 3.174 -21.582 12.539 1.00 0.00 C ATOM 725 C ILE A 44 2.077 -20.538 12.354 1.00 0.00 C ATOM 726 O ILE A 44 0.944 -20.754 12.790 1.00 0.00 O ATOM 727 CB ILE A 44 3.070 -22.677 11.444 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.595 -24.077 11.860 1.00 0.00 C ATOM 729 CG2 ILE A 44 3.792 -22.178 10.186 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.492 -25.155 10.777 1.00 0.00 C ATOM 0 H ILE A 44 1.944 -22.251 14.053 1.00 0.00 H new ATOM 0 HA ILE A 44 4.169 -21.145 12.458 1.00 0.00 H new ATOM 0 HB ILE A 44 2.007 -22.833 11.258 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.639 -23.983 12.159 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.041 -24.410 12.737 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.729 -22.936 9.405 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.322 -21.258 9.838 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.839 -21.985 10.420 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.883 -26.097 11.162 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.448 -25.286 10.492 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.071 -24.851 9.905 1.00 0.00 H new ATOM 742 N LEU A 45 2.380 -19.445 11.666 1.00 0.00 N ATOM 743 CA LEU A 45 1.405 -18.465 11.219 1.00 0.00 C ATOM 744 C LEU A 45 1.818 -18.122 9.799 1.00 0.00 C ATOM 745 O LEU A 45 2.994 -17.854 9.567 1.00 0.00 O ATOM 746 CB LEU A 45 1.403 -17.270 12.186 1.00 0.00 C ATOM 747 CG LEU A 45 0.308 -16.228 11.883 1.00 0.00 C ATOM 748 CD1 LEU A 45 -0.049 -15.466 13.164 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.744 -15.215 10.811 1.00 0.00 C ATOM 0 H LEU A 45 3.336 -19.212 11.398 1.00 0.00 H new ATOM 0 HA LEU A 45 0.376 -18.824 11.218 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.270 -17.638 13.203 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.377 -16.782 12.148 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.556 -16.773 11.502 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.823 -14.730 12.946 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.415 -16.167 13.914 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.837 -14.958 13.544 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.062 -14.503 10.634 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.631 -14.682 11.154 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.973 -15.742 9.885 1.00 0.00 H new ATOM 761 N ALA A 46 0.896 -18.190 8.842 1.00 0.00 N ATOM 762 CA ALA A 46 1.211 -18.105 7.422 1.00 0.00 C ATOM 763 C ALA A 46 0.143 -17.295 6.702 1.00 0.00 C ATOM 764 O ALA A 46 -1.001 -17.238 7.150 1.00 0.00 O ATOM 765 CB ALA A 46 1.308 -19.516 6.836 1.00 0.00 C ATOM 0 H ALA A 46 -0.099 -18.307 9.034 1.00 0.00 H new ATOM 0 HA ALA A 46 2.169 -17.603 7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.544 -19.453 5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.093 -20.070 7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.356 -20.031 6.967 1.00 0.00 H new ATOM 771 N GLU A 47 0.513 -16.694 5.577 1.00 0.00 N ATOM 772 CA GLU A 47 -0.304 -15.772 4.808 1.00 0.00 C ATOM 773 C GLU A 47 -0.099 -16.103 3.333 1.00 0.00 C ATOM 774 O GLU A 47 1.043 -16.263 2.886 1.00 0.00 O ATOM 775 CB GLU A 47 0.112 -14.321 5.101 1.00 0.00 C ATOM 776 CG GLU A 47 -0.183 -13.918 6.550 1.00 0.00 C ATOM 777 CD GLU A 47 0.183 -12.465 6.860 1.00 0.00 C ATOM 778 OE1 GLU A 47 1.338 -12.046 6.619 1.00 0.00 O ATOM 779 OE2 GLU A 47 -0.695 -11.750 7.392 1.00 0.00 O ATOM 0 H GLU A 47 1.432 -16.845 5.160 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.356 -15.872 5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.177 -14.202 4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.416 -13.649 4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.243 -14.070 6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.368 -14.576 7.222 1.00 0.00 H new ATOM 786 N GLY A 48 -1.197 -16.220 2.587 1.00 0.00 N ATOM 787 CA GLY A 48 -1.173 -16.672 1.197 1.00 0.00 C ATOM 788 C GLY A 48 -2.587 -16.900 0.668 1.00 0.00 C ATOM 789 O GLY A 48 -3.549 -16.682 1.407 1.00 0.00 O ATOM 0 H GLY A 48 -2.132 -16.003 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.665 -15.931 0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.600 -17.596 1.122 1.00 0.00 H new ATOM 793 N PRO A 49 -2.758 -17.295 -0.603 1.00 0.00 N ATOM 794 CA PRO A 49 -4.058 -17.699 -1.121 1.00 0.00 C ATOM 795 C PRO A 49 -4.500 -19.018 -0.475 1.00 0.00 C ATOM 796 O PRO A 49 -3.675 -19.818 -0.026 1.00 0.00 O ATOM 797 CB PRO A 49 -3.877 -17.805 -2.639 1.00 0.00 C ATOM 798 CG PRO A 49 -2.394 -18.126 -2.806 1.00 0.00 C ATOM 799 CD PRO A 49 -1.726 -17.422 -1.623 1.00 0.00 C ATOM 0 HA PRO A 49 -4.848 -16.986 -0.887 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.506 -18.587 -3.063 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.144 -16.874 -3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.214 -19.201 -2.784 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.011 -17.758 -3.758 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.879 -17.999 -1.252 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.343 -16.444 -1.915 1.00 0.00 H new ATOM 807 N GLU A 50 -5.810 -19.267 -0.451 1.00 0.00 N ATOM 808 CA GLU A 50 -6.403 -20.378 0.291 1.00 0.00 C ATOM 809 C GLU A 50 -5.888 -21.737 -0.201 1.00 0.00 C ATOM 810 O GLU A 50 -5.702 -22.654 0.597 1.00 0.00 O ATOM 811 CB GLU A 50 -7.932 -20.279 0.178 1.00 0.00 C ATOM 812 CG GLU A 50 -8.661 -21.215 1.152 1.00 0.00 C ATOM 813 CD GLU A 50 -10.184 -21.183 0.932 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.686 -21.872 0.014 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.902 -20.482 1.681 1.00 0.00 O ATOM 0 H GLU A 50 -6.494 -18.698 -0.950 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.108 -20.307 1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.240 -19.251 0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.233 -20.517 -0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.295 -22.233 1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.434 -20.923 2.177 1.00 0.00 H new ATOM 822 N ASN A 51 -5.634 -21.898 -1.505 1.00 0.00 N ATOM 823 CA ASN A 51 -5.090 -23.149 -2.047 1.00 0.00 C ATOM 824 C ASN A 51 -3.652 -23.388 -1.583 1.00 0.00 C ATOM 825 O ASN A 51 -3.268 -24.527 -1.305 1.00 0.00 O ATOM 826 CB ASN A 51 -5.150 -23.128 -3.583 1.00 0.00 C ATOM 827 CG ASN A 51 -4.449 -24.342 -4.188 1.00 0.00 C ATOM 828 OD1 ASN A 51 -3.327 -24.241 -4.680 1.00 0.00 O ATOM 829 ND2 ASN A 51 -5.073 -25.509 -4.155 1.00 0.00 N ATOM 0 H ASN A 51 -5.797 -21.175 -2.206 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.702 -23.968 -1.670 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.191 -23.109 -3.907 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.684 -22.215 -3.954 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.623 -26.339 -4.541 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.004 -25.578 -3.744 1.00 0.00 H new ATOM 836 N ALA A 52 -2.862 -22.318 -1.470 1.00 0.00 N ATOM 837 CA ALA A 52 -1.495 -22.414 -0.985 1.00 0.00 C ATOM 838 C ALA A 52 -1.492 -22.783 0.492 1.00 0.00 C ATOM 839 O ALA A 52 -0.757 -23.682 0.890 1.00 0.00 O ATOM 840 CB ALA A 52 -0.743 -21.100 -1.224 1.00 0.00 C ATOM 0 H ALA A 52 -3.154 -21.371 -1.711 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.979 -23.198 -1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.278 -21.193 -0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.724 -20.881 -2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.248 -20.291 -0.697 1.00 0.00 H new ATOM 846 N LEU A 53 -2.335 -22.130 1.295 1.00 0.00 N ATOM 847 CA LEU A 53 -2.421 -22.393 2.723 1.00 0.00 C ATOM 848 C LEU A 53 -2.945 -23.807 2.986 1.00 0.00 C ATOM 849 O LEU A 53 -2.428 -24.485 3.871 1.00 0.00 O ATOM 850 CB LEU A 53 -3.297 -21.325 3.394 1.00 0.00 C ATOM 851 CG LEU A 53 -2.686 -19.908 3.382 1.00 0.00 C ATOM 852 CD1 LEU A 53 -3.686 -18.913 3.973 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.370 -19.819 4.170 1.00 0.00 C ATOM 0 H LEU A 53 -2.974 -21.406 0.969 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.423 -22.338 3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.264 -21.296 2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.483 -21.620 4.427 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.464 -19.668 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.253 -17.913 3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.599 -18.918 3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.919 -19.198 4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.988 -18.799 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.549 -20.095 5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.638 -20.500 3.735 1.00 0.00 H new ATOM 865 N GLN A 54 -3.903 -24.296 2.192 1.00 0.00 N ATOM 866 CA GLN A 54 -4.345 -25.686 2.250 1.00 0.00 C ATOM 867 C GLN A 54 -3.181 -26.635 1.952 1.00 0.00 C ATOM 868 O GLN A 54 -2.929 -27.549 2.734 1.00 0.00 O ATOM 869 CB GLN A 54 -5.493 -25.902 1.256 1.00 0.00 C ATOM 870 CG GLN A 54 -6.843 -25.456 1.833 1.00 0.00 C ATOM 871 CD GLN A 54 -7.929 -25.516 0.762 1.00 0.00 C ATOM 872 OE1 GLN A 54 -8.758 -26.423 0.727 1.00 0.00 O ATOM 873 NE2 GLN A 54 -7.923 -24.557 -0.148 1.00 0.00 N ATOM 0 H GLN A 54 -4.391 -23.737 1.493 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.704 -25.904 3.256 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.289 -25.347 0.340 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.545 -26.957 0.985 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.116 -26.096 2.672 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.762 -24.440 2.220 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.226 -23.813 -0.101 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.615 -24.561 -0.897 1.00 0.00 H new ATOM 882 N SER A 55 -2.439 -26.412 0.864 1.00 0.00 N ATOM 883 CA SER A 55 -1.316 -27.276 0.501 1.00 0.00 C ATOM 884 C SER A 55 -0.234 -27.263 1.594 1.00 0.00 C ATOM 885 O SER A 55 0.362 -28.295 1.911 1.00 0.00 O ATOM 886 CB SER A 55 -0.728 -26.812 -0.835 1.00 0.00 C ATOM 887 OG SER A 55 -1.712 -26.769 -1.857 1.00 0.00 O ATOM 0 H SER A 55 -2.597 -25.638 0.219 1.00 0.00 H new ATOM 0 HA SER A 55 -1.679 -28.299 0.403 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.286 -25.823 -0.714 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.076 -27.486 -1.132 1.00 0.00 H new ATOM 0 HG SER A 55 -2.287 -25.987 -1.725 1.00 0.00 H new ATOM 893 N PHE A 56 -0.003 -26.098 2.197 1.00 0.00 N ATOM 894 CA PHE A 56 0.944 -25.919 3.278 1.00 0.00 C ATOM 895 C PHE A 56 0.505 -26.736 4.499 1.00 0.00 C ATOM 896 O PHE A 56 1.324 -27.471 5.044 1.00 0.00 O ATOM 897 CB PHE A 56 1.047 -24.417 3.560 1.00 0.00 C ATOM 898 CG PHE A 56 2.059 -23.995 4.603 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.438 -24.118 4.348 1.00 0.00 C ATOM 900 CD2 PHE A 56 1.616 -23.378 5.788 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.370 -23.598 5.264 1.00 0.00 C ATOM 902 CE2 PHE A 56 2.548 -22.858 6.699 1.00 0.00 C ATOM 903 CZ PHE A 56 3.923 -22.946 6.425 1.00 0.00 C ATOM 0 H PHE A 56 -0.484 -25.237 1.936 1.00 0.00 H new ATOM 0 HA PHE A 56 1.935 -26.287 3.012 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.288 -23.910 2.626 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.066 -24.060 3.872 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.780 -24.611 3.450 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.559 -23.305 5.996 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.428 -23.700 5.075 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.208 -22.390 7.611 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.638 -22.512 7.108 1.00 0.00 H new ATOM 913 N VAL A 57 -0.778 -26.696 4.885 1.00 0.00 N ATOM 914 CA VAL A 57 -1.310 -27.556 5.943 1.00 0.00 C ATOM 915 C VAL A 57 -1.062 -29.023 5.583 1.00 0.00 C ATOM 916 O VAL A 57 -0.536 -29.758 6.418 1.00 0.00 O ATOM 917 CB VAL A 57 -2.806 -27.258 6.205 1.00 0.00 C ATOM 918 CG1 VAL A 57 -3.488 -28.317 7.089 1.00 0.00 C ATOM 919 CG2 VAL A 57 -2.981 -25.904 6.904 1.00 0.00 C ATOM 0 H VAL A 57 -1.470 -26.070 4.473 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.788 -27.345 6.876 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.274 -27.260 5.221 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.535 -28.050 7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.426 -29.291 6.603 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.987 -28.361 8.056 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.041 -25.718 7.077 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.454 -25.916 7.858 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.572 -25.114 6.274 1.00 0.00 H new ATOM 929 N GLU A 58 -1.390 -29.444 4.355 1.00 0.00 N ATOM 930 CA GLU A 58 -1.272 -30.835 3.918 1.00 0.00 C ATOM 931 C GLU A 58 0.165 -31.336 4.100 1.00 0.00 C ATOM 932 O GLU A 58 0.376 -32.454 4.572 1.00 0.00 O ATOM 933 CB GLU A 58 -1.725 -30.989 2.454 1.00 0.00 C ATOM 934 CG GLU A 58 -3.238 -30.826 2.238 1.00 0.00 C ATOM 935 CD GLU A 58 -4.016 -32.105 2.581 1.00 0.00 C ATOM 936 OE1 GLU A 58 -4.398 -32.291 3.758 1.00 0.00 O ATOM 937 OE2 GLU A 58 -4.257 -32.938 1.677 1.00 0.00 O ATOM 0 H GLU A 58 -1.748 -28.820 3.632 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.928 -31.445 4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.202 -30.252 1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.423 -31.972 2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.604 -30.004 2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.428 -30.555 1.199 1.00 0.00 H new ATOM 944 N ALA A 59 1.148 -30.491 3.781 1.00 0.00 N ATOM 945 CA ALA A 59 2.559 -30.785 3.985 1.00 0.00 C ATOM 946 C ALA A 59 2.913 -30.844 5.476 1.00 0.00 C ATOM 947 O ALA A 59 3.593 -31.771 5.921 1.00 0.00 O ATOM 948 CB ALA A 59 3.409 -29.732 3.269 1.00 0.00 C ATOM 0 H ALA A 59 0.979 -29.573 3.369 1.00 0.00 H new ATOM 0 HA ALA A 59 2.771 -31.768 3.564 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.466 -29.952 3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.186 -29.748 2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.182 -28.745 3.673 1.00 0.00 H new ATOM 954 N VAL A 60 2.440 -29.881 6.269 1.00 0.00 N ATOM 955 CA VAL A 60 2.689 -29.818 7.705 1.00 0.00 C ATOM 956 C VAL A 60 2.110 -31.047 8.424 1.00 0.00 C ATOM 957 O VAL A 60 2.682 -31.454 9.436 1.00 0.00 O ATOM 958 CB VAL A 60 2.183 -28.467 8.259 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.216 -28.388 9.789 1.00 0.00 C ATOM 960 CG2 VAL A 60 3.059 -27.308 7.747 1.00 0.00 C ATOM 0 H VAL A 60 1.865 -29.113 5.924 1.00 0.00 H new ATOM 0 HA VAL A 60 3.761 -29.857 7.899 1.00 0.00 H new ATOM 0 HB VAL A 60 1.152 -28.388 7.914 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.848 -27.414 10.111 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.584 -29.171 10.207 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.240 -28.523 10.138 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.686 -26.366 8.148 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.088 -27.459 8.072 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.023 -27.278 6.658 1.00 0.00 H new ATOM 970 N LYS A 61 1.058 -31.703 7.904 1.00 0.00 N ATOM 971 CA LYS A 61 0.578 -32.959 8.494 1.00 0.00 C ATOM 972 C LYS A 61 1.683 -34.016 8.529 1.00 0.00 C ATOM 973 O LYS A 61 1.694 -34.843 9.439 1.00 0.00 O ATOM 974 CB LYS A 61 -0.631 -33.566 7.761 1.00 0.00 C ATOM 975 CG LYS A 61 -1.785 -32.606 7.449 1.00 0.00 C ATOM 976 CD LYS A 61 -3.071 -33.314 6.998 1.00 0.00 C ATOM 977 CE LYS A 61 -2.826 -34.303 5.846 1.00 0.00 C ATOM 978 NZ LYS A 61 -4.080 -34.651 5.142 1.00 0.00 N ATOM 0 H LYS A 61 0.532 -31.388 7.089 1.00 0.00 H new ATOM 0 HA LYS A 61 0.267 -32.688 9.503 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.282 -33.998 6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.021 -34.386 8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.000 -32.010 8.336 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.469 -31.913 6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.504 -33.847 7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.801 -32.568 6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.121 -33.868 5.138 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.366 -35.210 6.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.977 -35.582 4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.864 -34.682 5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.281 -33.934 4.416 1.00 0.00 H new ATOM 992 N ASN A 62 2.584 -34.025 7.541 1.00 0.00 N ATOM 993 CA ASN A 62 3.695 -34.968 7.500 1.00 0.00 C ATOM 994 C ASN A 62 4.824 -34.522 8.426 1.00 0.00 C ATOM 995 O ASN A 62 5.411 -35.344 9.129 1.00 0.00 O ATOM 996 CB ASN A 62 4.235 -35.127 6.072 1.00 0.00 C ATOM 997 CG ASN A 62 5.250 -36.266 6.011 1.00 0.00 C ATOM 998 OD1 ASN A 62 4.876 -37.429 5.890 1.00 0.00 O ATOM 999 ND2 ASN A 62 6.538 -35.980 6.094 1.00 0.00 N ATOM 0 H ASN A 62 2.560 -33.379 6.752 1.00 0.00 H new ATOM 0 HA ASN A 62 3.315 -35.931 7.841 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.412 -35.327 5.385 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.702 -34.197 5.747 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.230 -36.728 6.058 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.840 -35.011 6.194 1.00 0.00 H new ATOM 1006 N GLY A 63 5.122 -33.222 8.421 1.00 0.00 N ATOM 1007 CA GLY A 63 6.348 -32.693 9.005 1.00 0.00 C ATOM 1008 C GLY A 63 7.549 -33.032 8.119 1.00 0.00 C ATOM 1009 O GLY A 63 7.381 -33.439 6.964 1.00 0.00 O ATOM 0 H GLY A 63 4.518 -32.509 8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.267 -31.612 9.121 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.494 -33.110 10.001 1.00 0.00 H new ATOM 1013 N SER A 64 8.761 -32.854 8.650 1.00 0.00 N ATOM 1014 CA SER A 64 9.993 -33.187 7.943 1.00 0.00 C ATOM 1015 C SER A 64 10.051 -34.687 7.594 1.00 0.00 C ATOM 1016 O SER A 64 9.313 -35.487 8.182 1.00 0.00 O ATOM 1017 CB SER A 64 11.197 -32.762 8.798 1.00 0.00 C ATOM 1018 OG SER A 64 11.369 -33.623 9.910 1.00 0.00 O ATOM 0 H SER A 64 8.912 -32.474 9.584 1.00 0.00 H new ATOM 0 HA SER A 64 10.020 -32.644 6.998 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.100 -32.769 8.187 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.055 -31.739 9.146 1.00 0.00 H new ATOM 0 HG SER A 64 12.170 -33.357 10.409 1.00 0.00 H new ATOM 1024 N PRO A 65 10.988 -35.115 6.724 1.00 0.00 N ATOM 1025 CA PRO A 65 11.311 -36.525 6.509 1.00 0.00 C ATOM 1026 C PRO A 65 11.635 -37.325 7.785 1.00 0.00 C ATOM 1027 O PRO A 65 11.641 -38.558 7.732 1.00 0.00 O ATOM 1028 CB PRO A 65 12.510 -36.531 5.553 1.00 0.00 C ATOM 1029 CG PRO A 65 12.367 -35.217 4.791 1.00 0.00 C ATOM 1030 CD PRO A 65 11.800 -34.277 5.852 1.00 0.00 C ATOM 0 HA PRO A 65 10.431 -37.028 6.108 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.455 -36.580 6.095 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.483 -37.389 4.881 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.324 -34.865 4.407 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.697 -35.315 3.936 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.599 -33.789 6.410 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.201 -33.488 5.397 1.00 0.00 H new ATOM 1038 N PHE A 66 11.904 -36.660 8.917 1.00 0.00 N ATOM 1039 CA PHE A 66 12.293 -37.291 10.177 1.00 0.00 C ATOM 1040 C PHE A 66 11.228 -37.095 11.265 1.00 0.00 C ATOM 1041 O PHE A 66 11.334 -37.699 12.335 1.00 0.00 O ATOM 1042 CB PHE A 66 13.649 -36.721 10.625 1.00 0.00 C ATOM 1043 CG PHE A 66 14.723 -36.755 9.551 1.00 0.00 C ATOM 1044 CD1 PHE A 66 15.366 -37.966 9.230 1.00 0.00 C ATOM 1045 CD2 PHE A 66 15.053 -35.580 8.844 1.00 0.00 C ATOM 1046 CE1 PHE A 66 16.333 -38.002 8.209 1.00 0.00 C ATOM 1047 CE2 PHE A 66 16.019 -35.619 7.822 1.00 0.00 C ATOM 1048 CZ PHE A 66 16.659 -36.830 7.504 1.00 0.00 C ATOM 0 H PHE A 66 11.855 -35.643 8.979 1.00 0.00 H new ATOM 0 HA PHE A 66 12.383 -38.365 10.017 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.508 -35.690 10.950 1.00 0.00 H new ATOM 0 HB3 PHE A 66 13.999 -37.283 11.491 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.116 -38.868 9.768 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.563 -34.649 9.088 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.826 -38.932 7.966 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.269 -34.718 7.281 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.400 -36.860 6.719 1.00 0.00 H new ATOM 1058 N SER A 67 10.202 -36.277 11.018 1.00 0.00 N ATOM 1059 CA SER A 67 9.114 -36.045 11.951 1.00 0.00 C ATOM 1060 C SER A 67 8.198 -37.269 12.041 1.00 0.00 C ATOM 1061 O SER A 67 8.158 -38.116 11.143 1.00 0.00 O ATOM 1062 CB SER A 67 8.304 -34.837 11.476 1.00 0.00 C ATOM 1063 OG SER A 67 9.100 -33.668 11.442 1.00 0.00 O ATOM 0 H SER A 67 10.109 -35.752 10.148 1.00 0.00 H new ATOM 0 HA SER A 67 9.532 -35.858 12.940 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.901 -35.034 10.483 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.454 -34.682 12.140 1.00 0.00 H new ATOM 0 HG SER A 67 9.844 -33.797 10.817 1.00 0.00 H new ATOM 1069 N LYS A 68 7.393 -37.305 13.103 1.00 0.00 N ATOM 1070 CA LYS A 68 6.193 -38.124 13.214 1.00 0.00 C ATOM 1071 C LYS A 68 5.177 -37.291 13.986 1.00 0.00 C ATOM 1072 O LYS A 68 5.159 -37.301 15.217 1.00 0.00 O ATOM 1073 CB LYS A 68 6.500 -39.491 13.860 1.00 0.00 C ATOM 1074 CG LYS A 68 5.267 -40.387 14.084 1.00 0.00 C ATOM 1075 CD LYS A 68 4.478 -40.695 12.802 1.00 0.00 C ATOM 1076 CE LYS A 68 3.319 -41.650 13.125 1.00 0.00 C ATOM 1077 NZ LYS A 68 2.517 -41.989 11.922 1.00 0.00 N ATOM 0 H LYS A 68 7.567 -36.744 13.937 1.00 0.00 H new ATOM 0 HA LYS A 68 5.784 -38.380 12.237 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.211 -40.025 13.229 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.989 -39.323 14.819 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.590 -41.326 14.534 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.603 -39.902 14.799 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.092 -39.772 12.370 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.136 -41.144 12.058 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.717 -42.565 13.564 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.672 -41.193 13.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.747 -42.635 12.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.115 -41.120 11.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.127 -42.450 11.217 1.00 0.00 H new ATOM 1091 N VAL A 69 4.388 -36.505 13.258 1.00 0.00 N ATOM 1092 CA VAL A 69 3.248 -35.784 13.811 1.00 0.00 C ATOM 1093 C VAL A 69 2.276 -36.817 14.399 1.00 0.00 C ATOM 1094 O VAL A 69 2.093 -37.893 13.821 1.00 0.00 O ATOM 1095 CB VAL A 69 2.601 -34.946 12.685 1.00 0.00 C ATOM 1096 CG1 VAL A 69 1.333 -34.207 13.138 1.00 0.00 C ATOM 1097 CG2 VAL A 69 3.593 -33.910 12.125 1.00 0.00 C ATOM 0 H VAL A 69 4.524 -36.350 12.259 1.00 0.00 H new ATOM 0 HA VAL A 69 3.544 -35.099 14.606 1.00 0.00 H new ATOM 0 HB VAL A 69 2.323 -35.663 11.912 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.926 -33.637 12.303 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.592 -34.930 13.479 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.579 -33.528 13.955 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.111 -33.335 11.334 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.906 -33.238 12.924 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.465 -34.423 11.720 1.00 0.00 H new ATOM 1107 N THR A 70 1.626 -36.478 15.511 1.00 0.00 N ATOM 1108 CA THR A 70 0.587 -37.289 16.136 1.00 0.00 C ATOM 1109 C THR A 70 -0.711 -36.487 16.316 1.00 0.00 C ATOM 1110 O THR A 70 -1.782 -37.087 16.428 1.00 0.00 O ATOM 1111 CB THR A 70 1.102 -37.858 17.471 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.472 -36.805 18.338 1.00 0.00 O ATOM 1113 CG2 THR A 70 2.326 -38.759 17.272 1.00 0.00 C ATOM 0 H THR A 70 1.813 -35.610 16.013 1.00 0.00 H new ATOM 0 HA THR A 70 0.349 -38.126 15.480 1.00 0.00 H new ATOM 0 HB THR A 70 0.291 -38.447 17.899 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.796 -37.177 19.185 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.658 -39.140 18.238 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.061 -39.594 16.624 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.130 -38.184 16.813 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.651 -35.148 16.284 1.00 0.00 N ATOM 1122 CA ASP A 71 -1.819 -34.271 16.326 1.00 0.00 C ATOM 1123 C ASP A 71 -1.478 -32.947 15.640 1.00 0.00 C ATOM 1124 O ASP A 71 -0.318 -32.526 15.637 1.00 0.00 O ATOM 1125 CB ASP A 71 -2.248 -34.018 17.779 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.468 -33.086 17.859 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.480 -33.356 17.176 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.425 -32.097 18.623 1.00 0.00 O ATOM 0 H ASP A 71 0.231 -34.639 16.227 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.647 -34.750 15.804 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.484 -34.968 18.259 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.418 -33.579 18.332 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.479 -32.294 15.055 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.348 -31.036 14.336 1.00 0.00 C ATOM 1135 C ILE A 72 -3.686 -30.293 14.448 1.00 0.00 C ATOM 1136 O ILE A 72 -4.748 -30.926 14.451 1.00 0.00 O ATOM 1137 CB ILE A 72 -1.900 -31.305 12.872 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.691 -29.979 12.108 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -2.843 -32.258 12.107 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -1.058 -30.149 10.721 1.00 0.00 C ATOM 0 H ILE A 72 -3.438 -32.642 15.071 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.574 -30.400 14.766 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.943 -31.824 12.933 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.654 -29.480 11.998 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.059 -29.323 12.706 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.471 -32.402 11.093 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.882 -33.220 12.619 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.843 -31.827 12.069 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.945 -29.172 10.250 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.079 -30.618 10.823 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.699 -30.777 10.103 1.00 0.00 H new ATOM 1152 N SER A 73 -3.635 -28.962 14.513 1.00 0.00 N ATOM 1153 CA SER A 73 -4.793 -28.081 14.601 1.00 0.00 C ATOM 1154 C SER A 73 -4.533 -26.852 13.728 1.00 0.00 C ATOM 1155 O SER A 73 -3.377 -26.471 13.524 1.00 0.00 O ATOM 1156 CB SER A 73 -5.022 -27.661 16.062 1.00 0.00 C ATOM 1157 OG SER A 73 -5.171 -28.784 16.918 1.00 0.00 O ATOM 0 H SER A 73 -2.752 -28.452 14.505 1.00 0.00 H new ATOM 0 HA SER A 73 -5.686 -28.598 14.251 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.182 -27.055 16.401 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.913 -27.036 16.125 1.00 0.00 H new ATOM 0 HG SER A 73 -5.313 -28.478 17.838 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.599 -26.226 13.225 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.534 -25.094 12.305 1.00 0.00 C ATOM 1165 C VAL A 74 -6.588 -24.070 12.742 1.00 0.00 C ATOM 1166 O VAL A 74 -7.673 -24.438 13.203 1.00 0.00 O ATOM 1167 CB VAL A 74 -5.761 -25.571 10.847 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -5.564 -24.434 9.830 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.824 -26.724 10.446 1.00 0.00 C ATOM 0 H VAL A 74 -6.554 -26.501 13.453 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.549 -24.629 12.333 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.794 -25.919 10.825 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.733 -24.814 8.822 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.272 -23.632 10.039 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.547 -24.049 9.907 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.028 -27.017 9.416 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.788 -26.397 10.532 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.992 -27.576 11.105 1.00 0.00 H new ATOM 1179 N THR A 75 -6.269 -22.790 12.567 1.00 0.00 N ATOM 1180 CA THR A 75 -7.152 -21.644 12.742 1.00 0.00 C ATOM 1181 C THR A 75 -6.926 -20.743 11.518 1.00 0.00 C ATOM 1182 O THR A 75 -5.890 -20.844 10.853 1.00 0.00 O ATOM 1183 CB THR A 75 -6.821 -20.928 14.072 1.00 0.00 C ATOM 1184 OG1 THR A 75 -6.581 -21.851 15.124 1.00 0.00 O ATOM 1185 CG2 THR A 75 -7.942 -19.993 14.541 1.00 0.00 C ATOM 0 H THR A 75 -5.330 -22.510 12.282 1.00 0.00 H new ATOM 0 HA THR A 75 -8.202 -21.930 12.803 1.00 0.00 H new ATOM 0 HB THR A 75 -5.924 -20.347 13.856 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.374 -21.362 15.947 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.652 -19.519 15.479 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.116 -19.226 13.786 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.856 -20.568 14.692 1.00 0.00 H new ATOM 1193 N GLU A 76 -7.873 -19.863 11.199 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.841 -19.031 9.999 1.00 0.00 C ATOM 1195 C GLU A 76 -8.472 -17.666 10.288 1.00 0.00 C ATOM 1196 O GLU A 76 -9.122 -17.479 11.322 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.527 -19.768 8.831 1.00 0.00 C ATOM 1198 CG GLU A 76 -10.018 -20.058 9.063 1.00 0.00 C ATOM 1199 CD GLU A 76 -10.625 -20.844 7.892 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -10.973 -20.209 6.871 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -10.792 -22.081 7.997 1.00 0.00 O ATOM 0 H GLU A 76 -8.698 -19.706 11.778 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.808 -18.848 9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.420 -19.171 7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.008 -20.710 8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.141 -20.625 9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.557 -19.119 9.191 1.00 0.00 H new ATOM 1208 N SER A 77 -8.281 -16.720 9.369 1.00 0.00 N ATOM 1209 CA SER A 77 -8.719 -15.337 9.487 1.00 0.00 C ATOM 1210 C SER A 77 -9.251 -14.851 8.139 1.00 0.00 C ATOM 1211 O SER A 77 -9.148 -15.539 7.118 1.00 0.00 O ATOM 1212 CB SER A 77 -7.530 -14.490 9.970 1.00 0.00 C ATOM 1213 OG SER A 77 -7.938 -13.177 10.314 1.00 0.00 O ATOM 0 H SER A 77 -7.798 -16.907 8.490 1.00 0.00 H new ATOM 0 HA SER A 77 -9.529 -15.246 10.211 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.068 -14.968 10.834 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.772 -14.444 9.188 1.00 0.00 H new ATOM 0 HG SER A 77 -7.162 -12.663 10.619 1.00 0.00 H new ATOM 1219 N ARG A 78 -9.812 -13.642 8.136 1.00 0.00 N ATOM 1220 CA ARG A 78 -10.239 -12.902 6.946 1.00 0.00 C ATOM 1221 C ARG A 78 -9.532 -11.539 6.902 1.00 0.00 C ATOM 1222 O ARG A 78 -9.980 -10.632 6.198 1.00 0.00 O ATOM 1223 CB ARG A 78 -11.778 -12.795 6.919 1.00 0.00 C ATOM 1224 CG ARG A 78 -12.512 -14.149 6.875 1.00 0.00 C ATOM 1225 CD ARG A 78 -12.229 -14.931 5.584 1.00 0.00 C ATOM 1226 NE ARG A 78 -12.877 -16.252 5.589 1.00 0.00 N ATOM 1227 CZ ARG A 78 -12.302 -17.414 5.929 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -11.047 -17.491 6.355 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -12.978 -18.552 5.854 1.00 0.00 N ATOM 0 H ARG A 78 -9.989 -13.129 8.999 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.949 -13.435 6.041 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.107 -12.246 7.801 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.074 -12.207 6.050 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.211 -14.750 7.733 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.585 -13.980 6.965 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.582 -14.357 4.727 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.153 -15.055 5.463 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.857 -16.287 5.307 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.482 -16.645 6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.647 -18.396 6.604 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.947 -18.550 5.535 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.529 -19.430 6.116 1.00 0.00 H new ATOM 1243 N SER A 79 -8.425 -11.405 7.634 1.00 0.00 N ATOM 1244 CA SER A 79 -7.596 -10.213 7.727 1.00 0.00 C ATOM 1245 C SER A 79 -6.126 -10.644 7.637 1.00 0.00 C ATOM 1246 O SER A 79 -5.815 -11.836 7.728 1.00 0.00 O ATOM 1247 CB SER A 79 -7.896 -9.490 9.049 1.00 0.00 C ATOM 1248 OG SER A 79 -9.283 -9.199 9.177 1.00 0.00 O ATOM 0 H SER A 79 -8.068 -12.169 8.207 1.00 0.00 H new ATOM 0 HA SER A 79 -7.809 -9.519 6.914 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.574 -10.110 9.886 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.322 -8.565 9.098 1.00 0.00 H new ATOM 0 HG SER A 79 -9.444 -8.741 10.028 1.00 0.00 H new ATOM 1254 N LEU A 80 -5.223 -9.679 7.441 1.00 0.00 N ATOM 1255 CA LEU A 80 -3.804 -9.899 7.183 1.00 0.00 C ATOM 1256 C LEU A 80 -2.972 -8.952 8.042 1.00 0.00 C ATOM 1257 O LEU A 80 -3.462 -7.923 8.514 1.00 0.00 O ATOM 1258 CB LEU A 80 -3.491 -9.607 5.702 1.00 0.00 C ATOM 1259 CG LEU A 80 -4.194 -10.523 4.688 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -3.956 -9.992 3.272 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -3.696 -11.965 4.794 1.00 0.00 C ATOM 0 H LEU A 80 -5.472 -8.690 7.459 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.562 -10.935 7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.767 -8.575 5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.414 -9.687 5.553 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.261 -10.523 4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.454 -10.641 2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.358 -8.982 3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.886 -9.974 3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.215 -12.584 4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.624 -11.995 4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.894 -12.345 5.796 1.00 0.00 H new ATOM 1273 N GLU A 81 -1.689 -9.274 8.159 1.00 0.00 N ATOM 1274 CA GLU A 81 -0.648 -8.448 8.759 1.00 0.00 C ATOM 1275 C GLU A 81 0.466 -8.203 7.731 1.00 0.00 C ATOM 1276 O GLU A 81 1.122 -7.160 7.779 1.00 0.00 O ATOM 1277 CB GLU A 81 -0.112 -9.136 10.022 1.00 0.00 C ATOM 1278 CG GLU A 81 -1.160 -9.166 11.145 1.00 0.00 C ATOM 1279 CD GLU A 81 -0.715 -10.078 12.294 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -0.985 -11.296 12.213 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -0.121 -9.586 13.282 1.00 0.00 O ATOM 0 H GLU A 81 -1.328 -10.166 7.820 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.056 -7.480 9.051 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.190 -10.155 9.780 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.779 -8.613 10.370 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.323 -8.156 11.521 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.113 -9.516 10.748 1.00 0.00 H new ATOM 1288 N GLY A 82 0.622 -9.102 6.753 1.00 0.00 N ATOM 1289 CA GLY A 82 1.448 -8.893 5.572 1.00 0.00 C ATOM 1290 C GLY A 82 2.932 -8.921 5.925 1.00 0.00 C ATOM 1291 O GLY A 82 3.636 -7.934 5.692 1.00 0.00 O ATOM 0 H GLY A 82 0.165 -10.014 6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.233 -9.665 4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.198 -7.936 5.115 1.00 0.00 H new ATOM 1295 N HIS A 83 3.393 -10.016 6.539 1.00 0.00 N ATOM 1296 CA HIS A 83 4.796 -10.185 6.912 1.00 0.00 C ATOM 1297 C HIS A 83 5.701 -10.063 5.672 1.00 0.00 C ATOM 1298 O HIS A 83 5.289 -10.384 4.554 1.00 0.00 O ATOM 1299 CB HIS A 83 4.991 -11.524 7.641 1.00 0.00 C ATOM 1300 CG HIS A 83 6.238 -11.580 8.492 1.00 0.00 C ATOM 1301 ND1 HIS A 83 7.265 -12.490 8.383 1.00 0.00 N ATOM 1302 CD2 HIS A 83 6.547 -10.759 9.546 1.00 0.00 C ATOM 1303 CE1 HIS A 83 8.167 -12.226 9.339 1.00 0.00 C ATOM 1304 NE2 HIS A 83 7.779 -11.168 10.076 1.00 0.00 N ATOM 0 H HIS A 83 2.802 -10.808 6.790 1.00 0.00 H new ATOM 0 HA HIS A 83 5.084 -9.391 7.600 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.123 -11.713 8.273 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.029 -12.326 6.904 1.00 0.00 H new ATOM 0 HD1 HIS A 83 7.329 -13.238 7.692 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.945 -9.938 9.906 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.078 -12.784 9.496 1.00 0.00 H new ATOM 1312 N HIS A 84 6.940 -9.602 5.861 1.00 0.00 N ATOM 1313 CA HIS A 84 7.844 -9.269 4.757 1.00 0.00 C ATOM 1314 C HIS A 84 8.302 -10.506 3.965 1.00 0.00 C ATOM 1315 O HIS A 84 8.649 -10.395 2.788 1.00 0.00 O ATOM 1316 CB HIS A 84 9.068 -8.521 5.309 1.00 0.00 C ATOM 1317 CG HIS A 84 8.719 -7.293 6.116 1.00 0.00 C ATOM 1318 ND1 HIS A 84 8.947 -7.105 7.463 1.00 0.00 N ATOM 1319 CD2 HIS A 84 8.106 -6.159 5.650 1.00 0.00 C ATOM 1320 CE1 HIS A 84 8.484 -5.889 7.797 1.00 0.00 C ATOM 1321 NE2 HIS A 84 7.958 -5.269 6.723 1.00 0.00 N ATOM 0 H HIS A 84 7.345 -9.449 6.785 1.00 0.00 H new ATOM 0 HA HIS A 84 7.290 -8.637 4.063 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.647 -9.202 5.933 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.709 -8.228 4.477 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.791 -5.982 4.632 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.528 -5.467 8.790 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.537 -4.340 6.696 1.00 0.00 H new ATOM 1329 N ARG A 85 8.332 -11.674 4.612 1.00 0.00 N ATOM 1330 CA ARG A 85 8.800 -12.958 4.085 1.00 0.00 C ATOM 1331 C ARG A 85 8.223 -14.058 4.978 1.00 0.00 C ATOM 1332 O ARG A 85 7.428 -13.757 5.874 1.00 0.00 O ATOM 1333 CB ARG A 85 10.347 -12.992 4.041 1.00 0.00 C ATOM 1334 CG ARG A 85 11.025 -12.539 5.349 1.00 0.00 C ATOM 1335 CD ARG A 85 12.487 -12.996 5.440 1.00 0.00 C ATOM 1336 NE ARG A 85 12.583 -14.439 5.722 1.00 0.00 N ATOM 1337 CZ ARG A 85 13.661 -15.215 5.571 1.00 0.00 C ATOM 1338 NH1 ARG A 85 14.813 -14.709 5.140 1.00 0.00 N ATOM 1339 NH2 ARG A 85 13.566 -16.509 5.860 1.00 0.00 N ATOM 0 H ARG A 85 8.010 -11.753 5.577 1.00 0.00 H new ATOM 0 HA ARG A 85 8.461 -13.110 3.060 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.671 -14.007 3.809 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.691 -12.354 3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.982 -11.452 5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.470 -12.936 6.199 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.999 -12.772 4.504 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.997 -12.436 6.224 1.00 0.00 H new ATOM 0 HE ARG A 85 11.738 -14.894 6.069 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.883 -13.716 4.919 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.627 -15.314 5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.681 -16.894 6.191 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.378 -17.117 5.751 1.00 0.00 H new ATOM 1353 N PHE A 86 8.611 -15.318 4.776 1.00 0.00 N ATOM 1354 CA PHE A 86 8.363 -16.362 5.762 1.00 0.00 C ATOM 1355 C PHE A 86 9.642 -16.574 6.567 1.00 0.00 C ATOM 1356 O PHE A 86 10.705 -16.712 5.952 1.00 0.00 O ATOM 1357 CB PHE A 86 7.895 -17.657 5.094 1.00 0.00 C ATOM 1358 CG PHE A 86 7.322 -18.616 6.116 1.00 0.00 C ATOM 1359 CD1 PHE A 86 8.174 -19.453 6.859 1.00 0.00 C ATOM 1360 CD2 PHE A 86 5.936 -18.635 6.361 1.00 0.00 C ATOM 1361 CE1 PHE A 86 7.645 -20.294 7.848 1.00 0.00 C ATOM 1362 CE2 PHE A 86 5.409 -19.461 7.364 1.00 0.00 C ATOM 1363 CZ PHE A 86 6.266 -20.287 8.107 1.00 0.00 C ATOM 0 H PHE A 86 9.098 -15.637 3.938 1.00 0.00 H new ATOM 0 HA PHE A 86 7.560 -16.055 6.432 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.141 -17.430 4.340 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.732 -18.127 4.577 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.237 -19.448 6.667 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.277 -18.012 5.775 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.298 -20.946 8.410 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.348 -19.461 7.564 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.862 -20.921 8.882 1.00 0.00 H new ATOM 1373 N SER A 87 9.568 -16.634 7.899 1.00 0.00 N ATOM 1374 CA SER A 87 10.768 -16.662 8.740 1.00 0.00 C ATOM 1375 C SER A 87 10.691 -17.682 9.878 1.00 0.00 C ATOM 1376 O SER A 87 9.681 -17.801 10.566 1.00 0.00 O ATOM 1377 CB SER A 87 10.998 -15.264 9.321 1.00 0.00 C ATOM 1378 OG SER A 87 11.038 -14.301 8.283 1.00 0.00 O ATOM 0 H SER A 87 8.691 -16.664 8.418 1.00 0.00 H new ATOM 0 HA SER A 87 11.599 -16.969 8.105 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.201 -15.019 10.023 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.933 -15.245 9.881 1.00 0.00 H new ATOM 0 HG SER A 87 11.184 -13.411 8.667 1.00 0.00 H new ATOM 1384 N ILE A 88 11.796 -18.371 10.146 1.00 0.00 N ATOM 1385 CA ILE A 88 11.988 -19.067 11.415 1.00 0.00 C ATOM 1386 C ILE A 88 12.261 -17.969 12.451 1.00 0.00 C ATOM 1387 O ILE A 88 13.070 -17.071 12.194 1.00 0.00 O ATOM 1388 CB ILE A 88 13.152 -20.077 11.287 1.00 0.00 C ATOM 1389 CG1 ILE A 88 12.842 -21.151 10.215 1.00 0.00 C ATOM 1390 CG2 ILE A 88 13.432 -20.767 12.635 1.00 0.00 C ATOM 1391 CD1 ILE A 88 14.102 -21.787 9.620 1.00 0.00 C ATOM 0 H ILE A 88 12.577 -18.463 9.497 1.00 0.00 H new ATOM 0 HA ILE A 88 11.120 -19.653 11.716 1.00 0.00 H new ATOM 0 HB ILE A 88 14.036 -19.517 10.982 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.223 -21.931 10.659 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.258 -20.698 9.414 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.255 -21.473 12.519 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.700 -20.017 13.379 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.540 -21.301 12.963 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.817 -22.531 8.876 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.711 -21.016 9.148 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.676 -22.268 10.412 1.00 0.00 H new ATOM 1403 N VAL A 89 11.601 -18.029 13.609 1.00 0.00 N ATOM 1404 CA VAL A 89 11.742 -17.048 14.682 1.00 0.00 C ATOM 1405 C VAL A 89 11.895 -17.772 16.027 1.00 0.00 C ATOM 1406 O VAL A 89 11.637 -18.975 16.133 1.00 0.00 O ATOM 1407 CB VAL A 89 10.569 -16.034 14.670 1.00 0.00 C ATOM 1408 CG1 VAL A 89 10.482 -15.264 13.341 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.202 -16.667 14.974 1.00 0.00 C ATOM 0 H VAL A 89 10.942 -18.775 13.830 1.00 0.00 H new ATOM 0 HA VAL A 89 12.646 -16.461 14.521 1.00 0.00 H new ATOM 0 HB VAL A 89 10.802 -15.340 15.478 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.646 -14.566 13.379 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.408 -14.713 13.179 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.330 -15.967 12.522 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.431 -15.897 14.948 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.980 -17.429 14.227 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.225 -17.125 15.963 1.00 0.00 H new