USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 739 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 Single : A 1 ILE N :NH3+ 177:sc= -0.0625 (180deg=-0.0815) USER MOD Single : A 5 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.45) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0961 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 10 LYS NZ :NH3+ 150:sc= 0.29 (180deg=-0.443) USER MOD Single : A 14 SER OG : rot 124:sc= 0.497 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.418 K(o=-0.42,f=-1.1) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0127 USER MOD Single : A 36 ASN : amide:sc= -0.469 K(o=-0.47,f=-2.3!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 47 THR OG1 : rot 91:sc= -1.18 USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= -1.44 (180deg=-2.06!) USER MOD Single : A 49 MET CE :methyl 169:sc= 0 (180deg=-0.0624) USER MOD Single : A 50 LYS NZ :NH3+ -173:sc=-0.00147 (180deg=-0.0667) USER MOD Single : A 51 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00901) USER MOD Single : A 56 ASN : amide:sc= -1.68! K(o=-1.7!,f=-0.026) USER MOD Single : A 60 LYS NZ :NH3+ -164:sc= -0.0336 (180deg=-0.27) USER MOD Single : A 63 GLN : amide:sc= -0.795 K(o=-0.8,f=-0.17) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= 0.117 K(o=0.12,f=-5.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -101:sc= 0.107 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0251) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.707 12.671 40.056 1.00 12.03 N ATOM 2 CA ILE A 1 1.853 14.038 39.515 1.00 43.13 C ATOM 3 C ILE A 1 2.473 13.998 38.099 1.00 63.34 C ATOM 4 O ILE A 1 3.471 14.669 37.812 1.00 51.30 O ATOM 5 CB ILE A 1 2.701 14.946 40.499 1.00 3.23 C ATOM 6 CG1 ILE A 1 4.076 14.271 40.872 1.00 75.40 C ATOM 7 CG2 ILE A 1 1.886 15.296 41.769 1.00 41.14 C ATOM 8 CD1 ILE A 1 5.006 15.132 41.718 1.00 53.44 C ATOM 0 H1 ILE A 1 1.337 12.719 41.027 1.00 12.03 H new ATOM 0 H2 ILE A 1 1.048 12.131 39.460 1.00 12.03 H new ATOM 0 H3 ILE A 1 2.634 12.199 40.062 1.00 12.03 H new ATOM 0 HA ILE A 1 0.863 14.485 39.431 1.00 43.13 H new ATOM 0 HB ILE A 1 2.928 15.875 39.977 1.00 3.23 H new ATOM 0 HG12 ILE A 1 3.875 13.344 41.409 1.00 75.40 H new ATOM 0 HG13 ILE A 1 4.593 14.001 39.951 1.00 75.40 H new ATOM 0 HG21 ILE A 1 2.490 15.920 42.428 1.00 41.14 H new ATOM 0 HG22 ILE A 1 0.983 15.836 41.484 1.00 41.14 H new ATOM 0 HG23 ILE A 1 1.611 14.378 42.289 1.00 41.14 H new ATOM 0 HD11 ILE A 1 5.925 14.582 41.923 1.00 53.44 H new ATOM 0 HD12 ILE A 1 5.244 16.049 41.179 1.00 53.44 H new ATOM 0 HD13 ILE A 1 4.515 15.382 42.659 1.00 53.44 H new ATOM 22 N LEU A 2 1.846 13.210 37.202 1.00 25.22 N ATOM 23 CA LEU A 2 2.284 13.081 35.802 1.00 33.04 C ATOM 24 C LEU A 2 1.971 14.381 35.039 1.00 33.42 C ATOM 25 O LEU A 2 0.929 15.020 35.265 1.00 41.22 O ATOM 26 CB LEU A 2 1.606 11.866 35.096 1.00 60.25 C ATOM 27 CG LEU A 2 2.150 10.433 35.464 1.00 45.01 C ATOM 28 CD1 LEU A 2 1.823 10.018 36.916 1.00 12.21 C ATOM 29 CD2 LEU A 2 1.654 9.368 34.453 1.00 14.01 C ATOM 0 H LEU A 2 1.025 12.648 37.429 1.00 25.22 H new ATOM 0 HA LEU A 2 3.360 12.905 35.799 1.00 33.04 H new ATOM 0 HB2 LEU A 2 0.540 11.893 35.323 1.00 60.25 H new ATOM 0 HB3 LEU A 2 1.706 12.000 34.019 1.00 60.25 H new ATOM 0 HG LEU A 2 3.236 10.491 35.397 1.00 45.01 H new ATOM 0 HD11 LEU A 2 2.223 9.023 37.109 1.00 12.21 H new ATOM 0 HD12 LEU A 2 2.272 10.730 37.608 1.00 12.21 H new ATOM 0 HD13 LEU A 2 0.742 10.008 37.057 1.00 12.21 H new ATOM 0 HD21 LEU A 2 2.046 8.390 34.733 1.00 14.01 H new ATOM 0 HD22 LEU A 2 0.564 9.338 34.461 1.00 14.01 H new ATOM 0 HD23 LEU A 2 2.003 9.625 33.453 1.00 14.01 H new ATOM 41 N GLU A 3 2.884 14.758 34.143 1.00 71.45 N ATOM 42 CA GLU A 3 2.767 15.967 33.303 1.00 65.00 C ATOM 43 C GLU A 3 2.685 15.549 31.827 1.00 73.05 C ATOM 44 O GLU A 3 2.901 14.371 31.510 1.00 32.42 O ATOM 45 CB GLU A 3 3.974 16.928 33.544 1.00 32.40 C ATOM 46 CG GLU A 3 5.367 16.441 33.050 1.00 61.44 C ATOM 47 CD GLU A 3 5.964 15.273 33.869 1.00 13.23 C ATOM 48 OE1 GLU A 3 6.644 15.532 34.878 1.00 22.22 O ATOM 49 OE2 GLU A 3 5.747 14.096 33.515 1.00 21.00 O ATOM 0 H GLU A 3 3.740 14.230 33.972 1.00 71.45 H new ATOM 0 HA GLU A 3 1.859 16.507 33.573 1.00 65.00 H new ATOM 0 HB2 GLU A 3 3.754 17.878 33.058 1.00 32.40 H new ATOM 0 HB3 GLU A 3 4.043 17.126 34.614 1.00 32.40 H new ATOM 0 HG2 GLU A 3 5.282 16.132 32.008 1.00 61.44 H new ATOM 0 HG3 GLU A 3 6.062 17.280 33.077 1.00 61.44 H new ATOM 56 N ALA A 4 2.374 16.522 30.937 1.00 13.11 N ATOM 57 CA ALA A 4 2.235 16.289 29.481 1.00 0.50 C ATOM 58 C ALA A 4 3.502 15.626 28.898 1.00 22.14 C ATOM 59 O ALA A 4 4.527 16.288 28.675 1.00 23.11 O ATOM 60 CB ALA A 4 1.915 17.610 28.747 1.00 3.31 C ATOM 0 H ALA A 4 2.212 17.491 31.210 1.00 13.11 H new ATOM 0 HA ALA A 4 1.402 15.602 29.327 1.00 0.50 H new ATOM 0 HB1 ALA A 4 1.817 17.418 27.679 1.00 3.31 H new ATOM 0 HB2 ALA A 4 0.981 18.022 29.129 1.00 3.31 H new ATOM 0 HB3 ALA A 4 2.721 18.324 28.915 1.00 3.31 H new ATOM 66 N HIS A 5 3.427 14.299 28.719 1.00 64.15 N ATOM 67 CA HIS A 5 4.538 13.484 28.208 1.00 74.42 C ATOM 68 C HIS A 5 4.574 13.556 26.683 1.00 45.53 C ATOM 69 O HIS A 5 3.548 13.322 26.027 1.00 35.24 O ATOM 70 CB HIS A 5 4.395 12.003 28.652 1.00 53.34 C ATOM 71 CG HIS A 5 4.602 11.781 30.122 1.00 64.22 C ATOM 72 ND1 HIS A 5 3.603 11.382 30.974 1.00 64.35 N ATOM 73 CD2 HIS A 5 5.716 11.887 30.883 1.00 13.35 C ATOM 74 CE1 HIS A 5 4.091 11.257 32.188 1.00 31.01 C ATOM 75 NE2 HIS A 5 5.374 11.557 32.162 1.00 43.12 N ATOM 0 H HIS A 5 2.588 13.758 28.926 1.00 64.15 H new ATOM 0 HA HIS A 5 5.466 13.880 28.619 1.00 74.42 H new ATOM 0 HB2 HIS A 5 3.402 11.647 28.378 1.00 53.34 H new ATOM 0 HB3 HIS A 5 5.114 11.398 28.099 1.00 53.34 H new ATOM 0 HD2 HIS A 5 6.697 12.180 30.540 1.00 13.35 H new ATOM 0 HE1 HIS A 5 3.533 10.958 33.063 1.00 31.01 H new ATOM 0 HE2 HIS A 5 6.005 11.545 32.963 1.00 43.12 H new ATOM 84 N TYR A 6 5.745 13.899 26.131 1.00 11.45 N ATOM 85 CA TYR A 6 6.001 13.777 24.699 1.00 54.32 C ATOM 86 C TYR A 6 6.227 12.291 24.375 1.00 75.22 C ATOM 87 O TYR A 6 6.821 11.553 25.174 1.00 22.01 O ATOM 88 CB TYR A 6 7.222 14.642 24.268 1.00 24.10 C ATOM 89 CG TYR A 6 7.467 14.644 22.742 1.00 60.32 C ATOM 90 CD1 TYR A 6 8.427 13.810 22.154 1.00 23.12 C ATOM 91 CD2 TYR A 6 6.704 15.461 21.893 1.00 53.13 C ATOM 92 CE1 TYR A 6 8.613 13.791 20.786 1.00 21.32 C ATOM 93 CE2 TYR A 6 6.893 15.446 20.529 1.00 11.40 C ATOM 94 CZ TYR A 6 7.845 14.612 19.979 1.00 60.01 C ATOM 95 OH TYR A 6 8.025 14.599 18.618 1.00 21.24 O ATOM 0 H TYR A 6 6.533 14.266 26.664 1.00 11.45 H new ATOM 0 HA TYR A 6 5.143 14.149 24.139 1.00 54.32 H new ATOM 0 HB2 TYR A 6 7.068 15.667 24.605 1.00 24.10 H new ATOM 0 HB3 TYR A 6 8.115 14.272 24.771 1.00 24.10 H new ATOM 0 HD1 TYR A 6 9.031 13.171 22.781 1.00 23.12 H new ATOM 0 HD2 TYR A 6 5.955 16.113 22.317 1.00 53.13 H new ATOM 0 HE1 TYR A 6 9.354 13.139 20.348 1.00 21.32 H new ATOM 0 HE2 TYR A 6 6.299 16.084 19.892 1.00 11.40 H new ATOM 0 HH TYR A 6 7.405 15.233 18.200 1.00 21.24 H new ATOM 105 N THR A 7 5.748 11.874 23.209 1.00 63.11 N ATOM 106 CA THR A 7 5.805 10.481 22.756 1.00 51.33 C ATOM 107 C THR A 7 6.101 10.442 21.255 1.00 73.04 C ATOM 108 O THR A 7 5.972 11.463 20.562 1.00 22.10 O ATOM 109 CB THR A 7 4.459 9.731 23.076 1.00 43.23 C ATOM 110 OG1 THR A 7 4.495 8.385 22.571 1.00 55.33 O ATOM 111 CG2 THR A 7 3.223 10.462 22.505 1.00 2.20 C ATOM 0 H THR A 7 5.302 12.500 22.539 1.00 63.11 H new ATOM 0 HA THR A 7 6.605 9.969 23.291 1.00 51.33 H new ATOM 0 HB THR A 7 4.364 9.715 24.162 1.00 43.23 H new ATOM 0 HG1 THR A 7 3.650 7.934 22.781 1.00 55.33 H new ATOM 0 HG21 THR A 7 2.322 9.902 22.754 1.00 2.20 H new ATOM 0 HG22 THR A 7 3.160 11.461 22.936 1.00 2.20 H new ATOM 0 HG23 THR A 7 3.314 10.539 21.422 1.00 2.20 H new ATOM 119 N ASN A 8 6.522 9.261 20.766 1.00 40.51 N ATOM 120 CA ASN A 8 6.693 9.014 19.330 1.00 55.03 C ATOM 121 C ASN A 8 5.308 9.022 18.649 1.00 54.20 C ATOM 122 O ASN A 8 4.330 8.493 19.206 1.00 72.13 O ATOM 123 CB ASN A 8 7.449 7.675 19.077 1.00 41.15 C ATOM 124 CG ASN A 8 6.682 6.421 19.512 1.00 11.11 C ATOM 125 OD1 ASN A 8 6.732 6.013 20.671 1.00 13.20 O ATOM 126 ND2 ASN A 8 5.990 5.789 18.578 1.00 42.24 N ATOM 0 H ASN A 8 6.751 8.459 21.354 1.00 40.51 H new ATOM 0 HA ASN A 8 7.304 9.806 18.897 1.00 55.03 H new ATOM 0 HB2 ASN A 8 7.677 7.596 18.014 1.00 41.15 H new ATOM 0 HB3 ASN A 8 8.402 7.705 19.606 1.00 41.15 H new ATOM 0 HD21 ASN A 8 5.478 4.938 18.811 1.00 42.24 H new ATOM 0 HD22 ASN A 8 5.968 6.153 17.625 1.00 42.24 H new ATOM 133 N LEU A 9 5.223 9.672 17.483 1.00 12.12 N ATOM 134 CA LEU A 9 3.972 9.808 16.720 1.00 51.02 C ATOM 135 C LEU A 9 4.316 9.944 15.225 1.00 2.22 C ATOM 136 O LEU A 9 5.474 10.206 14.864 1.00 23.02 O ATOM 137 CB LEU A 9 3.140 11.036 17.232 1.00 61.22 C ATOM 138 CG LEU A 9 1.631 11.080 16.798 1.00 64.21 C ATOM 139 CD1 LEU A 9 0.846 9.886 17.384 1.00 53.31 C ATOM 140 CD2 LEU A 9 0.963 12.421 17.174 1.00 72.22 C ATOM 0 H LEU A 9 6.023 10.122 17.038 1.00 12.12 H new ATOM 0 HA LEU A 9 3.354 8.922 16.863 1.00 51.02 H new ATOM 0 HB2 LEU A 9 3.184 11.050 18.321 1.00 61.22 H new ATOM 0 HB3 LEU A 9 3.624 11.948 16.882 1.00 61.22 H new ATOM 0 HG LEU A 9 1.607 10.999 15.711 1.00 64.21 H new ATOM 0 HD11 LEU A 9 -0.195 9.944 17.066 1.00 53.31 H new ATOM 0 HD12 LEU A 9 1.283 8.953 17.028 1.00 53.31 H new ATOM 0 HD13 LEU A 9 0.895 9.917 18.472 1.00 53.31 H new ATOM 0 HD21 LEU A 9 -0.080 12.410 16.856 1.00 72.22 H new ATOM 0 HD22 LEU A 9 1.012 12.562 18.254 1.00 72.22 H new ATOM 0 HD23 LEU A 9 1.485 13.239 16.678 1.00 72.22 H new ATOM 152 N LYS A 10 3.312 9.743 14.364 1.00 63.52 N ATOM 153 CA LYS A 10 3.476 9.768 12.907 1.00 63.43 C ATOM 154 C LYS A 10 2.269 10.435 12.246 1.00 14.42 C ATOM 155 O LYS A 10 1.337 10.887 12.931 1.00 52.42 O ATOM 156 CB LYS A 10 3.639 8.313 12.379 1.00 32.45 C ATOM 157 CG LYS A 10 2.456 7.368 12.736 1.00 14.41 C ATOM 158 CD LYS A 10 2.520 6.020 11.977 1.00 63.13 C ATOM 159 CE LYS A 10 2.349 6.189 10.454 1.00 5.33 C ATOM 160 NZ LYS A 10 2.358 4.892 9.752 1.00 72.04 N ATOM 0 H LYS A 10 2.354 9.557 14.662 1.00 63.52 H new ATOM 0 HA LYS A 10 4.367 10.345 12.659 1.00 63.43 H new ATOM 0 HB2 LYS A 10 3.751 8.342 11.295 1.00 32.45 H new ATOM 0 HB3 LYS A 10 4.560 7.893 12.784 1.00 32.45 H new ATOM 0 HG2 LYS A 10 2.460 7.177 13.809 1.00 14.41 H new ATOM 0 HG3 LYS A 10 1.515 7.867 12.504 1.00 14.41 H new ATOM 0 HD2 LYS A 10 3.476 5.538 12.180 1.00 63.13 H new ATOM 0 HD3 LYS A 10 1.742 5.357 12.355 1.00 63.13 H new ATOM 0 HE2 LYS A 10 1.412 6.706 10.249 1.00 5.33 H new ATOM 0 HE3 LYS A 10 3.151 6.817 10.066 1.00 5.33 H new ATOM 0 HZ1 LYS A 10 1.770 4.956 8.897 1.00 72.04 H new ATOM 0 HZ2 LYS A 10 3.333 4.649 9.484 1.00 72.04 H new ATOM 0 HZ3 LYS A 10 1.977 4.155 10.379 1.00 72.04 H new ATOM 174 N CYS A 11 2.313 10.503 10.909 1.00 3.22 N ATOM 175 CA CYS A 11 1.171 10.887 10.089 1.00 60.43 C ATOM 176 C CYS A 11 0.052 9.836 10.234 1.00 12.53 C ATOM 177 O CYS A 11 0.240 8.668 9.869 1.00 23.31 O ATOM 178 CB CYS A 11 1.613 11.009 8.618 1.00 20.21 C ATOM 179 SG CYS A 11 2.530 9.559 8.001 1.00 3.34 S ATOM 0 H CYS A 11 3.151 10.290 10.368 1.00 3.22 H new ATOM 0 HA CYS A 11 0.787 11.852 10.421 1.00 60.43 H new ATOM 0 HB2 CYS A 11 0.732 11.161 7.995 1.00 20.21 H new ATOM 0 HB3 CYS A 11 2.238 11.895 8.509 1.00 20.21 H new ATOM 184 N ARG A 12 -1.087 10.251 10.809 1.00 22.10 N ATOM 185 CA ARG A 12 -2.264 9.391 10.951 1.00 4.44 C ATOM 186 C ARG A 12 -2.933 9.213 9.582 1.00 2.50 C ATOM 187 O ARG A 12 -3.337 10.194 8.949 1.00 71.14 O ATOM 188 CB ARG A 12 -3.259 10.000 11.974 1.00 23.24 C ATOM 189 CG ARG A 12 -4.615 9.253 12.104 1.00 11.54 C ATOM 190 CD ARG A 12 -5.546 9.882 13.156 1.00 62.42 C ATOM 191 NE ARG A 12 -5.817 11.310 12.895 1.00 22.12 N ATOM 192 CZ ARG A 12 -6.796 12.033 13.472 1.00 43.40 C ATOM 193 NH1 ARG A 12 -7.634 11.474 14.345 1.00 71.33 N ATOM 194 NH2 ARG A 12 -6.917 13.321 13.175 1.00 10.32 N ATOM 0 H ARG A 12 -1.215 11.190 11.186 1.00 22.10 H new ATOM 0 HA ARG A 12 -1.955 8.415 11.324 1.00 4.44 H new ATOM 0 HB2 ARG A 12 -2.780 10.023 12.953 1.00 23.24 H new ATOM 0 HB3 ARG A 12 -3.458 11.034 11.692 1.00 23.24 H new ATOM 0 HG2 ARG A 12 -5.117 9.251 11.137 1.00 11.54 H new ATOM 0 HG3 ARG A 12 -4.427 8.212 12.368 1.00 11.54 H new ATOM 0 HD2 ARG A 12 -6.489 9.335 13.175 1.00 62.42 H new ATOM 0 HD3 ARG A 12 -5.096 9.776 14.143 1.00 62.42 H new ATOM 0 HE ARG A 12 -5.215 11.787 12.224 1.00 22.12 H new ATOM 0 HH11 ARG A 12 -7.538 10.487 14.584 1.00 71.33 H new ATOM 0 HH12 ARG A 12 -8.371 12.033 14.774 1.00 71.33 H new ATOM 0 HH21 ARG A 12 -6.272 13.755 12.515 1.00 10.32 H new ATOM 0 HH22 ARG A 12 -7.655 13.877 13.607 1.00 10.32 H new ATOM 208 N CYS A 13 -3.026 7.956 9.138 1.00 64.32 N ATOM 209 CA CYS A 13 -3.697 7.584 7.890 1.00 55.23 C ATOM 210 C CYS A 13 -5.212 7.507 8.108 1.00 71.51 C ATOM 211 O CYS A 13 -5.692 7.569 9.254 1.00 31.42 O ATOM 212 CB CYS A 13 -3.170 6.228 7.368 1.00 52.41 C ATOM 213 SG CYS A 13 -3.901 5.729 5.770 1.00 63.30 S ATOM 0 H CYS A 13 -2.633 7.160 9.641 1.00 64.32 H new ATOM 0 HA CYS A 13 -3.482 8.349 7.144 1.00 55.23 H new ATOM 0 HB2 CYS A 13 -2.087 6.285 7.261 1.00 52.41 H new ATOM 0 HB3 CYS A 13 -3.377 5.457 8.110 1.00 52.41 H new ATOM 218 N SER A 14 -5.952 7.420 6.990 1.00 73.02 N ATOM 219 CA SER A 14 -7.384 7.108 6.987 1.00 71.13 C ATOM 220 C SER A 14 -7.647 5.800 7.763 1.00 12.23 C ATOM 221 O SER A 14 -8.536 5.745 8.622 1.00 61.31 O ATOM 222 CB SER A 14 -7.871 7.001 5.523 1.00 72.32 C ATOM 223 OG SER A 14 -7.063 6.103 4.770 1.00 64.32 O ATOM 0 H SER A 14 -5.566 7.566 6.057 1.00 73.02 H new ATOM 0 HA SER A 14 -7.939 7.902 7.486 1.00 71.13 H new ATOM 0 HB2 SER A 14 -8.907 6.662 5.507 1.00 72.32 H new ATOM 0 HB3 SER A 14 -7.851 7.987 5.059 1.00 72.32 H new ATOM 0 HG SER A 14 -7.628 5.405 4.378 1.00 64.32 H new ATOM 229 N GLY A 15 -6.832 4.760 7.461 1.00 12.52 N ATOM 230 CA GLY A 15 -6.898 3.481 8.166 1.00 44.41 C ATOM 231 C GLY A 15 -5.799 2.507 7.753 1.00 71.15 C ATOM 232 O GLY A 15 -5.088 2.732 6.773 1.00 73.05 O ATOM 0 H GLY A 15 -6.123 4.794 6.729 1.00 12.52 H new ATOM 0 HA2 GLY A 15 -6.830 3.661 9.239 1.00 44.41 H new ATOM 0 HA3 GLY A 15 -7.869 3.022 7.981 1.00 44.41 H new ATOM 236 N VAL A 16 -5.663 1.425 8.540 1.00 11.02 N ATOM 237 CA VAL A 16 -4.693 0.324 8.304 1.00 51.14 C ATOM 238 C VAL A 16 -5.445 -1.022 8.266 1.00 12.01 C ATOM 239 O VAL A 16 -6.645 -1.074 8.564 1.00 43.13 O ATOM 240 CB VAL A 16 -3.570 0.270 9.418 1.00 64.50 C ATOM 241 CG1 VAL A 16 -2.773 1.595 9.481 1.00 11.15 C ATOM 242 CG2 VAL A 16 -4.159 -0.080 10.810 1.00 61.40 C ATOM 0 H VAL A 16 -6.231 1.282 9.375 1.00 11.02 H new ATOM 0 HA VAL A 16 -4.202 0.513 7.349 1.00 51.14 H new ATOM 0 HB VAL A 16 -2.882 -0.527 9.137 1.00 64.50 H new ATOM 0 HG11 VAL A 16 -2.010 1.524 10.256 1.00 11.15 H new ATOM 0 HG12 VAL A 16 -2.296 1.779 8.518 1.00 11.15 H new ATOM 0 HG13 VAL A 16 -3.451 2.417 9.713 1.00 11.15 H new ATOM 0 HG21 VAL A 16 -3.357 -0.108 11.548 1.00 61.40 H new ATOM 0 HG22 VAL A 16 -4.890 0.676 11.096 1.00 61.40 H new ATOM 0 HG23 VAL A 16 -4.644 -1.055 10.765 1.00 61.40 H new ATOM 252 N ILE A 17 -4.737 -2.108 7.905 1.00 72.25 N ATOM 253 CA ILE A 17 -5.335 -3.463 7.828 1.00 15.22 C ATOM 254 C ILE A 17 -4.568 -4.469 8.706 1.00 61.42 C ATOM 255 O ILE A 17 -3.362 -4.329 8.937 1.00 61.32 O ATOM 256 CB ILE A 17 -5.454 -3.981 6.326 1.00 54.11 C ATOM 257 CG1 ILE A 17 -4.174 -3.680 5.448 1.00 35.52 C ATOM 258 CG2 ILE A 17 -6.711 -3.383 5.642 1.00 43.34 C ATOM 259 CD1 ILE A 17 -2.901 -4.440 5.792 1.00 34.24 C ATOM 0 H ILE A 17 -3.747 -2.078 7.661 1.00 72.25 H new ATOM 0 HA ILE A 17 -6.349 -3.384 8.221 1.00 15.22 H new ATOM 0 HB ILE A 17 -5.543 -5.065 6.391 1.00 54.11 H new ATOM 0 HG12 ILE A 17 -4.421 -3.889 4.407 1.00 35.52 H new ATOM 0 HG13 ILE A 17 -3.960 -2.613 5.517 1.00 35.52 H new ATOM 0 HG21 ILE A 17 -6.776 -3.748 4.617 1.00 43.34 H new ATOM 0 HG22 ILE A 17 -7.603 -3.685 6.192 1.00 43.34 H new ATOM 0 HG23 ILE A 17 -6.639 -2.295 5.636 1.00 43.34 H new ATOM 0 HD11 ILE A 17 -2.103 -4.139 5.114 1.00 34.24 H new ATOM 0 HD12 ILE A 17 -2.609 -4.216 6.818 1.00 34.24 H new ATOM 0 HD13 ILE A 17 -3.078 -5.511 5.691 1.00 34.24 H new ATOM 271 N SER A 18 -5.311 -5.443 9.247 1.00 31.40 N ATOM 272 CA SER A 18 -4.754 -6.635 9.914 1.00 44.15 C ATOM 273 C SER A 18 -4.713 -7.849 8.951 1.00 54.11 C ATOM 274 O SER A 18 -4.046 -8.856 9.236 1.00 63.53 O ATOM 275 CB SER A 18 -5.597 -6.952 11.168 1.00 53.44 C ATOM 276 OG SER A 18 -6.980 -7.083 10.849 1.00 75.43 O ATOM 0 H SER A 18 -6.331 -5.428 9.235 1.00 31.40 H new ATOM 0 HA SER A 18 -3.726 -6.428 10.213 1.00 44.15 H new ATOM 0 HB2 SER A 18 -5.239 -7.875 11.625 1.00 53.44 H new ATOM 0 HB3 SER A 18 -5.466 -6.160 11.905 1.00 53.44 H new ATOM 0 HG SER A 18 -7.486 -7.285 11.664 1.00 75.43 H new ATOM 282 N THR A 19 -5.434 -7.745 7.821 1.00 71.03 N ATOM 283 CA THR A 19 -5.505 -8.799 6.790 1.00 73.31 C ATOM 284 C THR A 19 -4.544 -8.461 5.632 1.00 42.22 C ATOM 285 O THR A 19 -4.390 -7.286 5.285 1.00 50.10 O ATOM 286 CB THR A 19 -6.972 -8.907 6.242 1.00 24.25 C ATOM 287 OG1 THR A 19 -7.889 -9.049 7.340 1.00 22.34 O ATOM 288 CG2 THR A 19 -7.172 -10.079 5.258 1.00 62.21 C ATOM 0 H THR A 19 -5.989 -6.920 7.594 1.00 71.03 H new ATOM 0 HA THR A 19 -5.215 -9.752 7.233 1.00 73.31 H new ATOM 0 HB THR A 19 -7.166 -7.988 5.689 1.00 24.25 H new ATOM 0 HG1 THR A 19 -8.804 -9.114 6.996 1.00 22.34 H new ATOM 0 HG21 THR A 19 -8.207 -10.096 4.918 1.00 62.21 H new ATOM 0 HG22 THR A 19 -6.511 -9.951 4.401 1.00 62.21 H new ATOM 0 HG23 THR A 19 -6.939 -11.019 5.759 1.00 62.21 H new ATOM 296 N VAL A 20 -3.904 -9.492 5.052 1.00 5.24 N ATOM 297 CA VAL A 20 -3.054 -9.330 3.853 1.00 4.01 C ATOM 298 C VAL A 20 -3.955 -8.967 2.656 1.00 34.45 C ATOM 299 O VAL A 20 -4.911 -9.697 2.342 1.00 34.32 O ATOM 300 CB VAL A 20 -2.227 -10.641 3.541 1.00 71.31 C ATOM 301 CG1 VAL A 20 -1.537 -10.591 2.147 1.00 62.32 C ATOM 302 CG2 VAL A 20 -1.182 -10.905 4.653 1.00 31.12 C ATOM 0 H VAL A 20 -3.958 -10.451 5.394 1.00 5.24 H new ATOM 0 HA VAL A 20 -2.333 -8.533 4.038 1.00 4.01 H new ATOM 0 HB VAL A 20 -2.938 -11.467 3.518 1.00 71.31 H new ATOM 0 HG11 VAL A 20 -0.982 -11.515 1.982 1.00 62.32 H new ATOM 0 HG12 VAL A 20 -2.294 -10.478 1.370 1.00 62.32 H new ATOM 0 HG13 VAL A 20 -0.851 -9.745 2.111 1.00 62.32 H new ATOM 0 HG21 VAL A 20 -0.623 -11.811 4.420 1.00 31.12 H new ATOM 0 HG22 VAL A 20 -0.495 -10.061 4.714 1.00 31.12 H new ATOM 0 HG23 VAL A 20 -1.691 -11.029 5.609 1.00 31.12 H new ATOM 312 N VAL A 21 -3.658 -7.821 2.022 1.00 15.21 N ATOM 313 CA VAL A 21 -4.459 -7.295 0.904 1.00 52.24 C ATOM 314 C VAL A 21 -4.175 -8.115 -0.363 1.00 4.12 C ATOM 315 O VAL A 21 -3.014 -8.463 -0.638 1.00 45.44 O ATOM 316 CB VAL A 21 -4.163 -5.770 0.638 1.00 10.45 C ATOM 317 CG1 VAL A 21 -5.124 -5.167 -0.421 1.00 21.11 C ATOM 318 CG2 VAL A 21 -4.222 -4.966 1.956 1.00 4.01 C ATOM 0 H VAL A 21 -2.860 -7.235 2.268 1.00 15.21 H new ATOM 0 HA VAL A 21 -5.512 -7.383 1.173 1.00 52.24 H new ATOM 0 HB VAL A 21 -3.154 -5.700 0.233 1.00 10.45 H new ATOM 0 HG11 VAL A 21 -4.884 -4.115 -0.573 1.00 21.11 H new ATOM 0 HG12 VAL A 21 -5.011 -5.704 -1.363 1.00 21.11 H new ATOM 0 HG13 VAL A 21 -6.153 -5.258 -0.072 1.00 21.11 H new ATOM 0 HG21 VAL A 21 -4.015 -3.916 1.751 1.00 4.01 H new ATOM 0 HG22 VAL A 21 -5.215 -5.061 2.396 1.00 4.01 H new ATOM 0 HG23 VAL A 21 -3.478 -5.353 2.652 1.00 4.01 H new ATOM 328 N GLY A 22 -5.249 -8.446 -1.105 1.00 32.04 N ATOM 329 CA GLY A 22 -5.142 -9.209 -2.339 1.00 72.32 C ATOM 330 C GLY A 22 -4.318 -8.487 -3.402 1.00 54.42 C ATOM 331 O GLY A 22 -4.651 -7.364 -3.782 1.00 54.34 O ATOM 0 H GLY A 22 -6.205 -8.189 -0.858 1.00 32.04 H new ATOM 0 HA2 GLY A 22 -4.687 -10.176 -2.126 1.00 72.32 H new ATOM 0 HA3 GLY A 22 -6.141 -9.405 -2.729 1.00 72.32 H new ATOM 335 N LEU A 23 -3.240 -9.145 -3.863 1.00 70.12 N ATOM 336 CA LEU A 23 -2.355 -8.660 -4.954 1.00 32.14 C ATOM 337 C LEU A 23 -3.176 -8.364 -6.239 1.00 15.53 C ATOM 338 O LEU A 23 -2.837 -7.458 -7.012 1.00 24.42 O ATOM 339 CB LEU A 23 -1.239 -9.736 -5.169 1.00 3.13 C ATOM 340 CG LEU A 23 -0.143 -9.475 -6.280 1.00 35.05 C ATOM 341 CD1 LEU A 23 1.215 -10.132 -5.913 1.00 73.41 C ATOM 342 CD2 LEU A 23 -0.601 -9.977 -7.681 1.00 3.13 C ATOM 0 H LEU A 23 -2.948 -10.046 -3.485 1.00 70.12 H new ATOM 0 HA LEU A 23 -1.883 -7.714 -4.689 1.00 32.14 H new ATOM 0 HB2 LEU A 23 -0.722 -9.872 -4.219 1.00 3.13 H new ATOM 0 HB3 LEU A 23 -1.730 -10.681 -5.403 1.00 3.13 H new ATOM 0 HG LEU A 23 -0.010 -8.394 -6.326 1.00 35.05 H new ATOM 0 HD11 LEU A 23 1.941 -9.930 -6.700 1.00 73.41 H new ATOM 0 HD12 LEU A 23 1.576 -9.719 -4.971 1.00 73.41 H new ATOM 0 HD13 LEU A 23 1.082 -11.209 -5.809 1.00 73.41 H new ATOM 0 HD21 LEU A 23 0.182 -9.778 -8.413 1.00 3.13 H new ATOM 0 HD22 LEU A 23 -0.793 -11.049 -7.638 1.00 3.13 H new ATOM 0 HD23 LEU A 23 -1.513 -9.456 -7.974 1.00 3.13 H new ATOM 354 N ASN A 24 -4.269 -9.129 -6.425 1.00 21.34 N ATOM 355 CA ASN A 24 -5.186 -8.978 -7.566 1.00 31.30 C ATOM 356 C ASN A 24 -6.131 -7.771 -7.373 1.00 21.33 C ATOM 357 O ASN A 24 -6.521 -7.126 -8.348 1.00 12.42 O ATOM 358 CB ASN A 24 -6.014 -10.278 -7.745 1.00 34.41 C ATOM 359 CG ASN A 24 -6.798 -10.314 -9.058 1.00 44.52 C ATOM 360 OD1 ASN A 24 -6.300 -10.792 -10.079 1.00 73.44 O ATOM 361 ND2 ASN A 24 -8.022 -9.817 -9.047 1.00 35.34 N ATOM 0 H ASN A 24 -4.540 -9.873 -5.782 1.00 21.34 H new ATOM 0 HA ASN A 24 -4.591 -8.796 -8.461 1.00 31.30 H new ATOM 0 HB2 ASN A 24 -5.344 -11.137 -7.705 1.00 34.41 H new ATOM 0 HB3 ASN A 24 -6.709 -10.377 -6.911 1.00 34.41 H new ATOM 0 HD21 ASN A 24 -8.582 -9.822 -9.899 1.00 35.34 H new ATOM 0 HD22 ASN A 24 -8.407 -9.428 -8.186 1.00 35.34 H new ATOM 368 N ILE A 25 -6.495 -7.462 -6.106 1.00 50.43 N ATOM 369 CA ILE A 25 -7.501 -6.405 -5.805 1.00 64.11 C ATOM 370 C ILE A 25 -6.833 -5.021 -5.613 1.00 52.43 C ATOM 371 O ILE A 25 -7.495 -4.063 -5.220 1.00 71.24 O ATOM 372 CB ILE A 25 -8.415 -6.775 -4.556 1.00 32.52 C ATOM 373 CG1 ILE A 25 -7.691 -6.556 -3.183 1.00 44.20 C ATOM 374 CG2 ILE A 25 -8.930 -8.235 -4.676 1.00 42.42 C ATOM 375 CD1 ILE A 25 -8.560 -6.785 -1.947 1.00 50.33 C ATOM 0 H ILE A 25 -6.113 -7.923 -5.280 1.00 50.43 H new ATOM 0 HA ILE A 25 -8.156 -6.346 -6.675 1.00 64.11 H new ATOM 0 HB ILE A 25 -9.263 -6.091 -4.573 1.00 32.52 H new ATOM 0 HG12 ILE A 25 -6.832 -7.225 -3.133 1.00 44.20 H new ATOM 0 HG13 ILE A 25 -7.304 -5.537 -3.152 1.00 44.20 H new ATOM 0 HG21 ILE A 25 -9.554 -8.473 -3.814 1.00 42.42 H new ATOM 0 HG22 ILE A 25 -9.517 -8.340 -5.589 1.00 42.42 H new ATOM 0 HG23 ILE A 25 -8.082 -8.918 -4.710 1.00 42.42 H new ATOM 0 HD11 ILE A 25 -7.968 -6.609 -1.049 1.00 50.33 H new ATOM 0 HD12 ILE A 25 -9.406 -6.098 -1.965 1.00 50.33 H new ATOM 0 HD13 ILE A 25 -8.926 -7.812 -1.945 1.00 50.33 H new ATOM 387 N ILE A 26 -5.522 -4.927 -5.915 1.00 40.55 N ATOM 388 CA ILE A 26 -4.786 -3.645 -5.923 1.00 11.53 C ATOM 389 C ILE A 26 -5.176 -2.865 -7.202 1.00 71.22 C ATOM 390 O ILE A 26 -5.297 -3.460 -8.285 1.00 5.31 O ATOM 391 CB ILE A 26 -3.218 -3.868 -5.898 1.00 1.02 C ATOM 392 CG1 ILE A 26 -2.773 -4.813 -4.723 1.00 25.20 C ATOM 393 CG2 ILE A 26 -2.453 -2.512 -5.834 1.00 1.43 C ATOM 394 CD1 ILE A 26 -2.985 -4.283 -3.319 1.00 1.12 C ATOM 0 H ILE A 26 -4.946 -5.733 -6.159 1.00 40.55 H new ATOM 0 HA ILE A 26 -5.053 -3.084 -5.027 1.00 11.53 H new ATOM 0 HB ILE A 26 -2.957 -4.364 -6.833 1.00 1.02 H new ATOM 0 HG12 ILE A 26 -3.313 -5.755 -4.818 1.00 25.20 H new ATOM 0 HG13 ILE A 26 -1.714 -5.038 -4.847 1.00 25.20 H new ATOM 0 HG21 ILE A 26 -1.380 -2.700 -5.818 1.00 1.43 H new ATOM 0 HG22 ILE A 26 -2.703 -1.911 -6.709 1.00 1.43 H new ATOM 0 HG23 ILE A 26 -2.740 -1.974 -4.930 1.00 1.43 H new ATOM 0 HD11 ILE A 26 -2.641 -5.022 -2.595 1.00 1.12 H new ATOM 0 HD12 ILE A 26 -2.422 -3.359 -3.190 1.00 1.12 H new ATOM 0 HD13 ILE A 26 -4.045 -4.087 -3.160 1.00 1.12 H new ATOM 406 N ASP A 27 -5.415 -1.550 -7.067 1.00 62.34 N ATOM 407 CA ASP A 27 -5.737 -0.670 -8.210 1.00 52.41 C ATOM 408 C ASP A 27 -4.535 0.230 -8.534 1.00 34.22 C ATOM 409 O ASP A 27 -4.046 0.232 -9.673 1.00 53.22 O ATOM 410 CB ASP A 27 -6.999 0.169 -7.914 1.00 60.32 C ATOM 411 CG ASP A 27 -7.399 1.093 -9.066 1.00 42.22 C ATOM 412 OD1 ASP A 27 -7.289 2.332 -8.924 1.00 32.44 O ATOM 413 OD2 ASP A 27 -7.811 0.575 -10.132 1.00 1.25 O ATOM 0 H ASP A 27 -5.391 -1.066 -6.169 1.00 62.34 H new ATOM 0 HA ASP A 27 -5.949 -1.288 -9.083 1.00 52.41 H new ATOM 0 HB2 ASP A 27 -7.829 -0.502 -7.692 1.00 60.32 H new ATOM 0 HB3 ASP A 27 -6.826 0.769 -7.020 1.00 60.32 H new ATOM 418 N ARG A 28 -4.053 0.984 -7.530 1.00 24.30 N ATOM 419 CA ARG A 28 -2.870 1.850 -7.689 1.00 62.41 C ATOM 420 C ARG A 28 -2.079 1.942 -6.370 1.00 71.22 C ATOM 421 O ARG A 28 -2.616 1.694 -5.267 1.00 52.10 O ATOM 422 CB ARG A 28 -3.252 3.280 -8.199 1.00 51.52 C ATOM 423 CG ARG A 28 -3.801 4.245 -7.120 1.00 72.11 C ATOM 424 CD ARG A 28 -4.113 5.651 -7.663 1.00 53.24 C ATOM 425 NE ARG A 28 -4.442 6.606 -6.583 1.00 10.54 N ATOM 426 CZ ARG A 28 -5.158 7.738 -6.737 1.00 2.53 C ATOM 427 NH1 ARG A 28 -5.652 8.078 -7.924 1.00 54.34 N ATOM 428 NH2 ARG A 28 -5.349 8.544 -5.701 1.00 73.44 N ATOM 0 H ARG A 28 -4.465 1.011 -6.598 1.00 24.30 H new ATOM 0 HA ARG A 28 -2.236 1.391 -8.448 1.00 62.41 H new ATOM 0 HB2 ARG A 28 -2.370 3.733 -8.653 1.00 51.52 H new ATOM 0 HB3 ARG A 28 -3.999 3.179 -8.986 1.00 51.52 H new ATOM 0 HG2 ARG A 28 -4.708 3.820 -6.690 1.00 72.11 H new ATOM 0 HG3 ARG A 28 -3.073 4.328 -6.313 1.00 72.11 H new ATOM 0 HD2 ARG A 28 -3.255 6.021 -8.224 1.00 53.24 H new ATOM 0 HD3 ARG A 28 -4.948 5.592 -8.361 1.00 53.24 H new ATOM 0 HE ARG A 28 -4.100 6.391 -5.646 1.00 10.54 H new ATOM 0 HH11 ARG A 28 -5.491 7.479 -8.734 1.00 54.34 H new ATOM 0 HH12 ARG A 28 -6.192 8.938 -8.025 1.00 54.34 H new ATOM 0 HH21 ARG A 28 -4.955 8.307 -4.791 1.00 73.44 H new ATOM 0 HH22 ARG A 28 -5.890 9.401 -5.815 1.00 73.44 H new ATOM 442 N ILE A 29 -0.799 2.322 -6.520 1.00 40.03 N ATOM 443 CA ILE A 29 0.149 2.512 -5.418 1.00 40.33 C ATOM 444 C ILE A 29 0.475 4.012 -5.299 1.00 11.44 C ATOM 445 O ILE A 29 1.095 4.602 -6.189 1.00 22.43 O ATOM 446 CB ILE A 29 1.460 1.668 -5.664 1.00 13.41 C ATOM 447 CG1 ILE A 29 1.106 0.144 -5.697 1.00 31.52 C ATOM 448 CG2 ILE A 29 2.557 1.977 -4.612 1.00 62.21 C ATOM 449 CD1 ILE A 29 2.278 -0.782 -5.981 1.00 74.10 C ATOM 0 H ILE A 29 -0.388 2.509 -7.435 1.00 40.03 H new ATOM 0 HA ILE A 29 -0.295 2.164 -4.486 1.00 40.33 H new ATOM 0 HB ILE A 29 1.875 1.953 -6.631 1.00 13.41 H new ATOM 0 HG12 ILE A 29 0.668 -0.133 -4.738 1.00 31.52 H new ATOM 0 HG13 ILE A 29 0.341 -0.020 -6.456 1.00 31.52 H new ATOM 0 HG21 ILE A 29 3.441 1.374 -4.820 1.00 62.21 H new ATOM 0 HG22 ILE A 29 2.819 3.034 -4.660 1.00 62.21 H new ATOM 0 HG23 ILE A 29 2.183 1.741 -3.616 1.00 62.21 H new ATOM 0 HD11 ILE A 29 1.933 -1.816 -5.983 1.00 74.10 H new ATOM 0 HD12 ILE A 29 2.705 -0.540 -6.954 1.00 74.10 H new ATOM 0 HD13 ILE A 29 3.037 -0.655 -5.209 1.00 74.10 H new ATOM 461 N GLN A 30 -0.001 4.619 -4.211 1.00 31.21 N ATOM 462 CA GLN A 30 0.259 6.024 -3.860 1.00 52.33 C ATOM 463 C GLN A 30 1.362 6.053 -2.777 1.00 25.51 C ATOM 464 O GLN A 30 1.402 5.172 -1.916 1.00 54.24 O ATOM 465 CB GLN A 30 -1.067 6.656 -3.353 1.00 14.23 C ATOM 466 CG GLN A 30 -1.045 8.183 -3.137 1.00 3.22 C ATOM 467 CD GLN A 30 -2.379 8.708 -2.602 1.00 34.13 C ATOM 468 OE1 GLN A 30 -3.282 9.045 -3.373 1.00 31.04 O ATOM 469 NE2 GLN A 30 -2.521 8.778 -1.283 1.00 11.45 N ATOM 0 H GLN A 30 -0.592 4.140 -3.531 1.00 31.21 H new ATOM 0 HA GLN A 30 0.604 6.601 -4.718 1.00 52.33 H new ATOM 0 HB2 GLN A 30 -1.856 6.421 -4.068 1.00 14.23 H new ATOM 0 HB3 GLN A 30 -1.338 6.179 -2.411 1.00 14.23 H new ATOM 0 HG2 GLN A 30 -0.249 8.438 -2.438 1.00 3.22 H new ATOM 0 HG3 GLN A 30 -0.813 8.679 -4.080 1.00 3.22 H new ATOM 0 HE21 GLN A 30 -1.756 8.492 -0.672 1.00 11.45 H new ATOM 0 HE22 GLN A 30 -3.395 9.118 -0.881 1.00 11.45 H new ATOM 478 N VAL A 31 2.269 7.044 -2.834 1.00 4.25 N ATOM 479 CA VAL A 31 3.451 7.112 -1.929 1.00 42.54 C ATOM 480 C VAL A 31 3.334 8.310 -0.969 1.00 63.50 C ATOM 481 O VAL A 31 2.942 9.408 -1.380 1.00 21.25 O ATOM 482 CB VAL A 31 4.789 7.215 -2.760 1.00 33.43 C ATOM 483 CG1 VAL A 31 6.046 7.319 -1.848 1.00 32.15 C ATOM 484 CG2 VAL A 31 4.920 6.019 -3.743 1.00 5.34 C ATOM 0 H VAL A 31 2.213 7.817 -3.498 1.00 4.25 H new ATOM 0 HA VAL A 31 3.476 6.194 -1.342 1.00 42.54 H new ATOM 0 HB VAL A 31 4.736 8.138 -3.337 1.00 33.43 H new ATOM 0 HG11 VAL A 31 6.940 7.388 -2.467 1.00 32.15 H new ATOM 0 HG12 VAL A 31 5.969 8.208 -1.222 1.00 32.15 H new ATOM 0 HG13 VAL A 31 6.110 6.434 -1.215 1.00 32.15 H new ATOM 0 HG21 VAL A 31 5.849 6.110 -4.305 1.00 5.34 H new ATOM 0 HG22 VAL A 31 4.926 5.085 -3.181 1.00 5.34 H new ATOM 0 HG23 VAL A 31 4.076 6.021 -4.433 1.00 5.34 H new ATOM 494 N THR A 32 3.661 8.082 0.319 1.00 20.12 N ATOM 495 CA THR A 32 3.786 9.143 1.332 1.00 2.32 C ATOM 496 C THR A 32 5.268 9.222 1.786 1.00 14.25 C ATOM 497 O THR A 32 5.705 8.402 2.603 1.00 52.44 O ATOM 498 CB THR A 32 2.863 8.865 2.565 1.00 1.13 C ATOM 499 OG1 THR A 32 1.539 8.545 2.121 1.00 13.23 O ATOM 500 CG2 THR A 32 2.791 10.074 3.511 1.00 71.02 C ATOM 0 H THR A 32 3.847 7.148 0.686 1.00 20.12 H new ATOM 0 HA THR A 32 3.473 10.090 0.893 1.00 2.32 H new ATOM 0 HB THR A 32 3.295 8.026 3.111 1.00 1.13 H new ATOM 0 HG1 THR A 32 0.967 8.370 2.897 1.00 13.23 H new ATOM 0 HG21 THR A 32 2.140 9.839 4.353 1.00 71.02 H new ATOM 0 HG22 THR A 32 3.790 10.308 3.879 1.00 71.02 H new ATOM 0 HG23 THR A 32 2.392 10.934 2.973 1.00 71.02 H new ATOM 508 N PRO A 33 6.082 10.163 1.209 1.00 72.21 N ATOM 509 CA PRO A 33 7.511 10.324 1.591 1.00 3.01 C ATOM 510 C PRO A 33 7.690 10.992 2.989 1.00 30.44 C ATOM 511 O PRO A 33 6.717 11.505 3.564 1.00 41.43 O ATOM 512 CB PRO A 33 8.068 11.213 0.449 1.00 24.43 C ATOM 513 CG PRO A 33 6.892 12.034 -0.003 1.00 70.52 C ATOM 514 CD PRO A 33 5.688 11.125 0.132 1.00 54.34 C ATOM 0 HA PRO A 33 8.030 9.371 1.694 1.00 3.01 H new ATOM 0 HB2 PRO A 33 8.882 11.847 0.801 1.00 24.43 H new ATOM 0 HB3 PRO A 33 8.465 10.608 -0.366 1.00 24.43 H new ATOM 0 HG2 PRO A 33 6.779 12.928 0.610 1.00 70.52 H new ATOM 0 HG3 PRO A 33 7.019 12.367 -1.033 1.00 70.52 H new ATOM 0 HD2 PRO A 33 4.793 11.685 0.404 1.00 54.34 H new ATOM 0 HD3 PRO A 33 5.469 10.610 -0.803 1.00 54.34 H new ATOM 522 N PRO A 34 8.937 10.959 3.580 1.00 32.22 N ATOM 523 CA PRO A 34 9.235 11.664 4.854 1.00 51.31 C ATOM 524 C PRO A 34 9.054 13.192 4.731 1.00 10.31 C ATOM 525 O PRO A 34 9.291 13.765 3.660 1.00 12.40 O ATOM 526 CB PRO A 34 10.715 11.289 5.152 1.00 44.54 C ATOM 527 CG PRO A 34 10.975 10.059 4.340 1.00 25.33 C ATOM 528 CD PRO A 34 10.135 10.217 3.091 1.00 3.24 C ATOM 0 HA PRO A 34 8.555 11.370 5.654 1.00 51.31 H new ATOM 0 HB2 PRO A 34 11.391 12.097 4.872 1.00 44.54 H new ATOM 0 HB3 PRO A 34 10.868 11.100 6.215 1.00 44.54 H new ATOM 0 HG2 PRO A 34 12.033 9.968 4.093 1.00 25.33 H new ATOM 0 HG3 PRO A 34 10.697 9.160 4.889 1.00 25.33 H new ATOM 0 HD2 PRO A 34 10.665 10.772 2.317 1.00 3.24 H new ATOM 0 HD3 PRO A 34 9.864 9.252 2.663 1.00 3.24 H new ATOM 536 N GLY A 35 8.654 13.838 5.835 1.00 73.14 N ATOM 537 CA GLY A 35 8.352 15.281 5.836 1.00 32.31 C ATOM 538 C GLY A 35 6.856 15.570 5.816 1.00 74.22 C ATOM 539 O GLY A 35 6.428 16.684 6.137 1.00 34.11 O ATOM 0 H GLY A 35 8.531 13.386 6.741 1.00 73.14 H new ATOM 0 HA2 GLY A 35 8.794 15.740 6.720 1.00 32.31 H new ATOM 0 HA3 GLY A 35 8.819 15.746 4.968 1.00 32.31 H new ATOM 543 N ASN A 36 6.054 14.553 5.459 1.00 44.03 N ATOM 544 CA ASN A 36 4.576 14.656 5.363 1.00 25.44 C ATOM 545 C ASN A 36 3.908 14.401 6.739 1.00 44.10 C ATOM 546 O ASN A 36 2.716 14.077 6.809 1.00 61.15 O ATOM 547 CB ASN A 36 4.060 13.619 4.318 1.00 40.42 C ATOM 548 CG ASN A 36 4.559 13.838 2.886 1.00 51.30 C ATOM 549 OD1 ASN A 36 5.658 14.349 2.657 1.00 73.45 O ATOM 550 ND2 ASN A 36 3.762 13.444 1.904 1.00 41.15 N ATOM 0 H ASN A 36 6.410 13.626 5.226 1.00 44.03 H new ATOM 0 HA ASN A 36 4.313 15.665 5.046 1.00 25.44 H new ATOM 0 HB2 ASN A 36 4.357 12.621 4.641 1.00 40.42 H new ATOM 0 HB3 ASN A 36 2.970 13.641 4.314 1.00 40.42 H new ATOM 0 HD21 ASN A 36 4.053 13.561 0.933 1.00 41.15 H new ATOM 0 HD22 ASN A 36 2.858 13.024 2.119 1.00 41.15 H new ATOM 557 N GLY A 37 4.680 14.596 7.830 1.00 12.31 N ATOM 558 CA GLY A 37 4.297 14.126 9.166 1.00 40.00 C ATOM 559 C GLY A 37 4.758 12.703 9.423 1.00 42.13 C ATOM 560 O GLY A 37 4.621 12.186 10.532 1.00 13.01 O ATOM 0 H GLY A 37 5.577 15.080 7.804 1.00 12.31 H new ATOM 0 HA2 GLY A 37 4.725 14.787 9.919 1.00 40.00 H new ATOM 0 HA3 GLY A 37 3.214 14.181 9.273 1.00 40.00 H new ATOM 564 N CYS A 38 5.313 12.075 8.379 1.00 40.24 N ATOM 565 CA CYS A 38 5.752 10.685 8.394 1.00 64.25 C ATOM 566 C CYS A 38 7.275 10.629 8.624 1.00 2.05 C ATOM 567 O CYS A 38 8.034 11.165 7.807 1.00 34.23 O ATOM 568 CB CYS A 38 5.388 10.033 7.047 1.00 75.32 C ATOM 569 SG CYS A 38 3.674 10.331 6.523 1.00 1.34 S ATOM 0 H CYS A 38 5.470 12.535 7.482 1.00 40.24 H new ATOM 0 HA CYS A 38 5.258 10.143 9.201 1.00 64.25 H new ATOM 0 HB2 CYS A 38 6.063 10.409 6.278 1.00 75.32 H new ATOM 0 HB3 CYS A 38 5.554 8.958 7.118 1.00 75.32 H new ATOM 574 N PRO A 39 7.751 10.024 9.761 1.00 31.33 N ATOM 575 CA PRO A 39 9.198 9.730 9.964 1.00 22.00 C ATOM 576 C PRO A 39 9.702 8.649 8.979 1.00 34.43 C ATOM 577 O PRO A 39 10.907 8.522 8.735 1.00 44.33 O ATOM 578 CB PRO A 39 9.258 9.231 11.442 1.00 41.12 C ATOM 579 CG PRO A 39 7.960 9.672 12.064 1.00 31.11 C ATOM 580 CD PRO A 39 6.946 9.609 10.943 1.00 14.10 C ATOM 0 HA PRO A 39 9.836 10.594 9.781 1.00 22.00 H new ATOM 0 HB2 PRO A 39 9.367 8.147 11.487 1.00 41.12 H new ATOM 0 HB3 PRO A 39 10.111 9.660 11.967 1.00 41.12 H new ATOM 0 HG2 PRO A 39 7.676 9.019 12.890 1.00 31.11 H new ATOM 0 HG3 PRO A 39 8.039 10.681 12.468 1.00 31.11 H new ATOM 0 HD2 PRO A 39 6.535 8.607 10.823 1.00 14.10 H new ATOM 0 HD3 PRO A 39 6.105 10.280 11.118 1.00 14.10 H new ATOM 588 N LYS A 40 8.752 7.869 8.427 1.00 65.32 N ATOM 589 CA LYS A 40 9.017 6.753 7.507 1.00 64.05 C ATOM 590 C LYS A 40 8.217 6.938 6.209 1.00 31.04 C ATOM 591 O LYS A 40 7.098 7.458 6.238 1.00 42.03 O ATOM 592 CB LYS A 40 8.615 5.416 8.197 1.00 12.43 C ATOM 593 CG LYS A 40 9.346 5.098 9.538 1.00 43.03 C ATOM 594 CD LYS A 40 10.727 4.401 9.371 1.00 73.03 C ATOM 595 CE LYS A 40 11.831 5.265 8.734 1.00 44.11 C ATOM 596 NZ LYS A 40 13.092 4.500 8.555 1.00 12.15 N ATOM 0 H LYS A 40 7.758 8.003 8.614 1.00 65.32 H new ATOM 0 HA LYS A 40 10.078 6.730 7.260 1.00 64.05 H new ATOM 0 HB2 LYS A 40 7.542 5.435 8.386 1.00 12.43 H new ATOM 0 HB3 LYS A 40 8.802 4.599 7.500 1.00 12.43 H new ATOM 0 HG2 LYS A 40 9.487 6.028 10.090 1.00 43.03 H new ATOM 0 HG3 LYS A 40 8.703 4.461 10.145 1.00 43.03 H new ATOM 0 HD2 LYS A 40 11.069 4.070 10.352 1.00 73.03 H new ATOM 0 HD3 LYS A 40 10.592 3.507 8.762 1.00 73.03 H new ATOM 0 HE2 LYS A 40 11.490 5.637 7.768 1.00 44.11 H new ATOM 0 HE3 LYS A 40 12.020 6.136 9.362 1.00 44.11 H new ATOM 0 HZ1 LYS A 40 13.812 5.114 8.124 1.00 12.15 H new ATOM 0 HZ2 LYS A 40 13.430 4.167 9.480 1.00 12.15 H new ATOM 0 HZ3 LYS A 40 12.917 3.683 7.935 1.00 12.15 H new ATOM 610 N THR A 41 8.802 6.506 5.079 1.00 60.44 N ATOM 611 CA THR A 41 8.108 6.464 3.785 1.00 35.22 C ATOM 612 C THR A 41 7.089 5.313 3.819 1.00 25.41 C ATOM 613 O THR A 41 7.492 4.158 3.935 1.00 44.15 O ATOM 614 CB THR A 41 9.114 6.217 2.609 1.00 61.11 C ATOM 615 OG1 THR A 41 10.256 7.075 2.755 1.00 32.43 O ATOM 616 CG2 THR A 41 8.455 6.455 1.234 1.00 3.31 C ATOM 0 H THR A 41 9.767 6.177 5.039 1.00 60.44 H new ATOM 0 HA THR A 41 7.615 7.422 3.618 1.00 35.22 H new ATOM 0 HB THR A 41 9.428 5.174 2.654 1.00 61.11 H new ATOM 0 HG1 THR A 41 10.882 6.915 2.018 1.00 32.43 H new ATOM 0 HG21 THR A 41 9.184 6.274 0.445 1.00 3.31 H new ATOM 0 HG22 THR A 41 7.612 5.775 1.112 1.00 3.31 H new ATOM 0 HG23 THR A 41 8.103 7.485 1.173 1.00 3.31 H new ATOM 624 N GLU A 42 5.790 5.619 3.733 1.00 34.23 N ATOM 625 CA GLU A 42 4.723 4.602 3.829 1.00 62.40 C ATOM 626 C GLU A 42 3.875 4.577 2.550 1.00 62.15 C ATOM 627 O GLU A 42 3.577 5.625 1.964 1.00 41.24 O ATOM 628 CB GLU A 42 3.860 4.859 5.091 1.00 14.22 C ATOM 629 CG GLU A 42 2.738 3.822 5.304 1.00 72.15 C ATOM 630 CD GLU A 42 2.103 3.890 6.690 1.00 43.45 C ATOM 631 OE1 GLU A 42 2.373 3.002 7.535 1.00 23.14 O ATOM 632 OE2 GLU A 42 1.352 4.851 6.964 1.00 4.01 O ATOM 0 H GLU A 42 5.445 6.569 3.596 1.00 34.23 H new ATOM 0 HA GLU A 42 5.178 3.616 3.928 1.00 62.40 H new ATOM 0 HB2 GLU A 42 4.508 4.863 5.967 1.00 14.22 H new ATOM 0 HB3 GLU A 42 3.415 5.851 5.019 1.00 14.22 H new ATOM 0 HG2 GLU A 42 1.965 3.975 4.551 1.00 72.15 H new ATOM 0 HG3 GLU A 42 3.143 2.822 5.147 1.00 72.15 H new ATOM 639 N VAL A 43 3.504 3.357 2.124 1.00 24.32 N ATOM 640 CA VAL A 43 2.755 3.115 0.887 1.00 22.30 C ATOM 641 C VAL A 43 1.241 3.124 1.173 1.00 11.31 C ATOM 642 O VAL A 43 0.748 2.332 1.981 1.00 33.23 O ATOM 643 CB VAL A 43 3.180 1.741 0.246 1.00 4.01 C ATOM 644 CG1 VAL A 43 2.332 1.396 -1.007 1.00 52.53 C ATOM 645 CG2 VAL A 43 4.694 1.740 -0.094 1.00 41.33 C ATOM 0 H VAL A 43 3.721 2.503 2.638 1.00 24.32 H new ATOM 0 HA VAL A 43 2.984 3.912 0.180 1.00 22.30 H new ATOM 0 HB VAL A 43 2.989 0.964 0.987 1.00 4.01 H new ATOM 0 HG11 VAL A 43 2.660 0.440 -1.416 1.00 52.53 H new ATOM 0 HG12 VAL A 43 1.280 1.330 -0.728 1.00 52.53 H new ATOM 0 HG13 VAL A 43 2.459 2.175 -1.758 1.00 52.53 H new ATOM 0 HG21 VAL A 43 4.967 0.782 -0.536 1.00 41.33 H new ATOM 0 HG22 VAL A 43 4.908 2.540 -0.802 1.00 41.33 H new ATOM 0 HG23 VAL A 43 5.272 1.897 0.817 1.00 41.33 H new ATOM 655 N VAL A 44 0.523 4.040 0.508 1.00 15.43 N ATOM 656 CA VAL A 44 -0.942 4.107 0.535 1.00 24.14 C ATOM 657 C VAL A 44 -1.499 3.266 -0.628 1.00 71.23 C ATOM 658 O VAL A 44 -1.226 3.557 -1.796 1.00 25.30 O ATOM 659 CB VAL A 44 -1.448 5.597 0.401 1.00 75.42 C ATOM 660 CG1 VAL A 44 -2.997 5.699 0.442 1.00 34.13 C ATOM 661 CG2 VAL A 44 -0.804 6.499 1.478 1.00 51.40 C ATOM 0 H VAL A 44 0.950 4.763 -0.070 1.00 15.43 H new ATOM 0 HA VAL A 44 -1.294 3.716 1.490 1.00 24.14 H new ATOM 0 HB VAL A 44 -1.132 5.954 -0.579 1.00 75.42 H new ATOM 0 HG11 VAL A 44 -3.296 6.743 0.346 1.00 34.13 H new ATOM 0 HG12 VAL A 44 -3.421 5.123 -0.381 1.00 34.13 H new ATOM 0 HG13 VAL A 44 -3.363 5.302 1.389 1.00 34.13 H new ATOM 0 HG21 VAL A 44 -1.169 7.520 1.364 1.00 51.40 H new ATOM 0 HG22 VAL A 44 -1.068 6.128 2.468 1.00 51.40 H new ATOM 0 HG23 VAL A 44 0.280 6.486 1.363 1.00 51.40 H new ATOM 671 N ILE A 45 -2.268 2.218 -0.305 1.00 35.11 N ATOM 672 CA ILE A 45 -2.911 1.365 -1.306 1.00 24.32 C ATOM 673 C ILE A 45 -4.328 1.877 -1.585 1.00 33.34 C ATOM 674 O ILE A 45 -5.112 2.122 -0.658 1.00 33.21 O ATOM 675 CB ILE A 45 -2.998 -0.134 -0.841 1.00 40.31 C ATOM 676 CG1 ILE A 45 -1.578 -0.705 -0.553 1.00 22.44 C ATOM 677 CG2 ILE A 45 -3.759 -1.011 -1.879 1.00 25.44 C ATOM 678 CD1 ILE A 45 -1.563 -2.167 -0.145 1.00 51.44 C ATOM 0 H ILE A 45 -2.460 1.940 0.657 1.00 35.11 H new ATOM 0 HA ILE A 45 -2.300 1.407 -2.207 1.00 24.32 H new ATOM 0 HB ILE A 45 -3.569 -0.163 0.087 1.00 40.31 H new ATOM 0 HG12 ILE A 45 -0.962 -0.582 -1.444 1.00 22.44 H new ATOM 0 HG13 ILE A 45 -1.115 -0.115 0.238 1.00 22.44 H new ATOM 0 HG21 ILE A 45 -3.800 -2.041 -1.525 1.00 25.44 H new ATOM 0 HG22 ILE A 45 -4.772 -0.630 -2.004 1.00 25.44 H new ATOM 0 HG23 ILE A 45 -3.238 -0.977 -2.836 1.00 25.44 H new ATOM 0 HD11 ILE A 45 -0.536 -2.484 0.036 1.00 51.44 H new ATOM 0 HD12 ILE A 45 -2.149 -2.297 0.765 1.00 51.44 H new ATOM 0 HD13 ILE A 45 -1.993 -2.772 -0.943 1.00 51.44 H new ATOM 690 N TRP A 46 -4.619 2.062 -2.874 1.00 53.20 N ATOM 691 CA TRP A 46 -5.974 2.261 -3.385 1.00 1.20 C ATOM 692 C TRP A 46 -6.383 0.948 -4.049 1.00 1.41 C ATOM 693 O TRP A 46 -5.719 0.502 -4.990 1.00 62.40 O ATOM 694 CB TRP A 46 -5.982 3.429 -4.396 1.00 50.42 C ATOM 695 CG TRP A 46 -5.852 4.793 -3.761 1.00 33.51 C ATOM 696 CD1 TRP A 46 -4.720 5.361 -3.232 1.00 40.03 C ATOM 697 CD2 TRP A 46 -6.877 5.788 -3.670 1.00 21.14 C ATOM 698 NE1 TRP A 46 -5.004 6.619 -2.767 1.00 64.33 N ATOM 699 CE2 TRP A 46 -6.315 6.910 -3.036 1.00 12.35 C ATOM 700 CE3 TRP A 46 -8.222 5.828 -4.052 1.00 1.20 C ATOM 701 CZ2 TRP A 46 -7.052 8.060 -2.773 1.00 54.25 C ATOM 702 CZ3 TRP A 46 -8.952 6.972 -3.799 1.00 1.25 C ATOM 703 CH2 TRP A 46 -8.362 8.079 -3.170 1.00 24.42 C ATOM 0 H TRP A 46 -3.906 2.078 -3.604 1.00 53.20 H new ATOM 0 HA TRP A 46 -6.676 2.518 -2.591 1.00 1.20 H new ATOM 0 HB2 TRP A 46 -5.164 3.289 -5.103 1.00 50.42 H new ATOM 0 HB3 TRP A 46 -6.908 3.393 -4.969 1.00 50.42 H new ATOM 0 HD1 TRP A 46 -3.750 4.888 -3.189 1.00 40.03 H new ATOM 0 HE1 TRP A 46 -4.345 7.239 -2.296 1.00 64.33 H new ATOM 0 HE3 TRP A 46 -8.681 4.979 -4.536 1.00 1.20 H new ATOM 0 HZ2 TRP A 46 -6.607 8.908 -2.273 1.00 54.25 H new ATOM 0 HZ3 TRP A 46 -9.991 7.016 -4.089 1.00 1.25 H new ATOM 0 HH2 TRP A 46 -8.954 8.965 -2.995 1.00 24.42 H new ATOM 714 N THR A 47 -7.415 0.292 -3.507 1.00 64.00 N ATOM 715 CA THR A 47 -7.901 -0.999 -4.038 1.00 23.51 C ATOM 716 C THR A 47 -8.936 -0.788 -5.160 1.00 21.33 C ATOM 717 O THR A 47 -9.364 0.342 -5.427 1.00 60.25 O ATOM 718 CB THR A 47 -8.528 -1.864 -2.901 1.00 34.42 C ATOM 719 OG1 THR A 47 -9.539 -1.097 -2.248 1.00 55.13 O ATOM 720 CG2 THR A 47 -7.480 -2.308 -1.862 1.00 62.45 C ATOM 0 H THR A 47 -7.935 0.631 -2.698 1.00 64.00 H new ATOM 0 HA THR A 47 -7.042 -1.525 -4.453 1.00 23.51 H new ATOM 0 HB THR A 47 -8.946 -2.764 -3.352 1.00 34.42 H new ATOM 0 HG1 THR A 47 -10.403 -1.256 -2.683 1.00 55.13 H new ATOM 0 HG21 THR A 47 -7.964 -2.907 -1.091 1.00 62.45 H new ATOM 0 HG22 THR A 47 -6.710 -2.902 -2.353 1.00 62.45 H new ATOM 0 HG23 THR A 47 -7.024 -1.429 -1.406 1.00 62.45 H new ATOM 728 N LYS A 48 -9.318 -1.901 -5.823 1.00 52.22 N ATOM 729 CA LYS A 48 -10.393 -1.928 -6.839 1.00 32.43 C ATOM 730 C LYS A 48 -11.764 -1.608 -6.204 1.00 55.03 C ATOM 731 O LYS A 48 -12.691 -1.180 -6.894 1.00 25.44 O ATOM 732 CB LYS A 48 -10.425 -3.318 -7.546 1.00 22.13 C ATOM 733 CG LYS A 48 -9.326 -3.531 -8.618 1.00 41.05 C ATOM 734 CD LYS A 48 -9.525 -2.606 -9.848 1.00 33.15 C ATOM 735 CE LYS A 48 -8.536 -2.893 -10.992 1.00 45.45 C ATOM 736 NZ LYS A 48 -7.119 -2.653 -10.598 1.00 54.41 N ATOM 0 H LYS A 48 -8.886 -2.812 -5.667 1.00 52.22 H new ATOM 0 HA LYS A 48 -10.183 -1.160 -7.583 1.00 32.43 H new ATOM 0 HB2 LYS A 48 -10.329 -4.096 -6.789 1.00 22.13 H new ATOM 0 HB3 LYS A 48 -11.400 -3.448 -8.016 1.00 22.13 H new ATOM 0 HG2 LYS A 48 -8.348 -3.341 -8.177 1.00 41.05 H new ATOM 0 HG3 LYS A 48 -9.333 -4.572 -8.942 1.00 41.05 H new ATOM 0 HD2 LYS A 48 -10.543 -2.721 -10.220 1.00 33.15 H new ATOM 0 HD3 LYS A 48 -9.416 -1.568 -9.535 1.00 33.15 H new ATOM 0 HE2 LYS A 48 -8.649 -3.928 -11.314 1.00 45.45 H new ATOM 0 HE3 LYS A 48 -8.783 -2.264 -11.847 1.00 45.45 H new ATOM 0 HZ1 LYS A 48 -6.487 -3.163 -11.247 1.00 54.41 H new ATOM 0 HZ2 LYS A 48 -6.914 -1.635 -10.644 1.00 54.41 H new ATOM 0 HZ3 LYS A 48 -6.966 -2.993 -9.627 1.00 54.41 H new ATOM 750 N MET A 49 -11.864 -1.821 -4.882 1.00 22.55 N ATOM 751 CA MET A 49 -13.064 -1.500 -4.081 1.00 35.34 C ATOM 752 C MET A 49 -13.073 -0.012 -3.656 1.00 4.51 C ATOM 753 O MET A 49 -14.013 0.439 -2.990 1.00 71.12 O ATOM 754 CB MET A 49 -13.114 -2.424 -2.831 1.00 3.04 C ATOM 755 CG MET A 49 -13.189 -3.922 -3.157 1.00 64.31 C ATOM 756 SD MET A 49 -11.697 -4.552 -3.967 1.00 52.44 S ATOM 757 CE MET A 49 -12.218 -6.200 -4.455 1.00 42.30 C ATOM 0 H MET A 49 -11.107 -2.225 -4.330 1.00 22.55 H new ATOM 0 HA MET A 49 -13.949 -1.672 -4.694 1.00 35.34 H new ATOM 0 HB2 MET A 49 -12.229 -2.240 -2.222 1.00 3.04 H new ATOM 0 HB3 MET A 49 -13.979 -2.152 -2.226 1.00 3.04 H new ATOM 0 HG2 MET A 49 -13.357 -4.480 -2.236 1.00 64.31 H new ATOM 0 HG3 MET A 49 -14.049 -4.104 -3.802 1.00 64.31 H new ATOM 0 HE1 MET A 49 -11.478 -6.631 -5.130 1.00 42.30 H new ATOM 0 HE2 MET A 49 -12.312 -6.829 -3.570 1.00 42.30 H new ATOM 0 HE3 MET A 49 -13.181 -6.142 -4.962 1.00 42.30 H new ATOM 767 N LYS A 50 -12.009 0.728 -4.056 1.00 31.43 N ATOM 768 CA LYS A 50 -11.792 2.155 -3.730 1.00 55.13 C ATOM 769 C LYS A 50 -11.518 2.360 -2.222 1.00 61.03 C ATOM 770 O LYS A 50 -11.632 3.483 -1.716 1.00 52.31 O ATOM 771 CB LYS A 50 -12.947 3.092 -4.241 1.00 62.50 C ATOM 772 CG LYS A 50 -12.977 3.357 -5.770 1.00 74.31 C ATOM 773 CD LYS A 50 -13.355 2.121 -6.615 1.00 34.40 C ATOM 774 CE LYS A 50 -13.401 2.415 -8.127 1.00 73.42 C ATOM 775 NZ LYS A 50 -14.399 3.465 -8.480 1.00 40.52 N ATOM 0 H LYS A 50 -11.261 0.337 -4.628 1.00 31.43 H new ATOM 0 HA LYS A 50 -10.898 2.455 -4.276 1.00 55.13 H new ATOM 0 HB2 LYS A 50 -13.901 2.653 -3.949 1.00 62.50 H new ATOM 0 HB3 LYS A 50 -12.866 4.050 -3.727 1.00 62.50 H new ATOM 0 HG2 LYS A 50 -13.689 4.156 -5.976 1.00 74.31 H new ATOM 0 HG3 LYS A 50 -11.997 3.714 -6.086 1.00 74.31 H new ATOM 0 HD2 LYS A 50 -12.634 1.325 -6.427 1.00 34.40 H new ATOM 0 HD3 LYS A 50 -14.329 1.752 -6.293 1.00 34.40 H new ATOM 0 HE2 LYS A 50 -12.413 2.732 -8.461 1.00 73.42 H new ATOM 0 HE3 LYS A 50 -13.640 1.497 -8.664 1.00 73.42 H new ATOM 0 HZ1 LYS A 50 -14.474 3.539 -9.515 1.00 40.52 H new ATOM 0 HZ2 LYS A 50 -15.326 3.210 -8.083 1.00 40.52 H new ATOM 0 HZ3 LYS A 50 -14.094 4.379 -8.088 1.00 40.52 H new ATOM 789 N LYS A 51 -11.117 1.268 -1.529 1.00 64.40 N ATOM 790 CA LYS A 51 -10.665 1.328 -0.126 1.00 12.55 C ATOM 791 C LYS A 51 -9.277 2.000 -0.081 1.00 74.30 C ATOM 792 O LYS A 51 -8.347 1.564 -0.790 1.00 24.41 O ATOM 793 CB LYS A 51 -10.588 -0.100 0.500 1.00 50.43 C ATOM 794 CG LYS A 51 -10.008 -0.160 1.940 1.00 15.54 C ATOM 795 CD LYS A 51 -9.618 -1.596 2.378 1.00 15.45 C ATOM 796 CE LYS A 51 -10.816 -2.565 2.465 1.00 55.12 C ATOM 797 NZ LYS A 51 -11.804 -2.158 3.503 1.00 14.14 N ATOM 0 H LYS A 51 -11.099 0.329 -1.927 1.00 64.40 H new ATOM 0 HA LYS A 51 -11.382 1.908 0.455 1.00 12.55 H new ATOM 0 HB2 LYS A 51 -11.590 -0.529 0.511 1.00 50.43 H new ATOM 0 HB3 LYS A 51 -9.978 -0.731 -0.147 1.00 50.43 H new ATOM 0 HG2 LYS A 51 -9.130 0.483 1.999 1.00 15.54 H new ATOM 0 HG3 LYS A 51 -10.743 0.240 2.639 1.00 15.54 H new ATOM 0 HD2 LYS A 51 -8.889 -1.996 1.673 1.00 15.45 H new ATOM 0 HD3 LYS A 51 -9.128 -1.549 3.351 1.00 15.45 H new ATOM 0 HE2 LYS A 51 -11.311 -2.613 1.495 1.00 55.12 H new ATOM 0 HE3 LYS A 51 -10.452 -3.568 2.687 1.00 55.12 H new ATOM 0 HZ1 LYS A 51 -12.563 -2.867 3.557 1.00 14.14 H new ATOM 0 HZ2 LYS A 51 -11.329 -2.088 4.426 1.00 14.14 H new ATOM 0 HZ3 LYS A 51 -12.211 -1.234 3.252 1.00 14.14 H new ATOM 811 N VAL A 52 -9.175 3.067 0.727 1.00 42.21 N ATOM 812 CA VAL A 52 -7.947 3.859 0.901 1.00 71.21 C ATOM 813 C VAL A 52 -7.309 3.472 2.244 1.00 32.33 C ATOM 814 O VAL A 52 -7.891 3.725 3.301 1.00 32.01 O ATOM 815 CB VAL A 52 -8.245 5.405 0.886 1.00 24.44 C ATOM 816 CG1 VAL A 52 -6.932 6.234 0.890 1.00 51.22 C ATOM 817 CG2 VAL A 52 -9.142 5.790 -0.313 1.00 62.25 C ATOM 0 H VAL A 52 -9.956 3.409 1.287 1.00 42.21 H new ATOM 0 HA VAL A 52 -7.272 3.646 0.072 1.00 71.21 H new ATOM 0 HB VAL A 52 -8.789 5.643 1.800 1.00 24.44 H new ATOM 0 HG11 VAL A 52 -7.173 7.297 0.879 1.00 51.22 H new ATOM 0 HG12 VAL A 52 -6.357 6.001 1.786 1.00 51.22 H new ATOM 0 HG13 VAL A 52 -6.343 5.987 0.007 1.00 51.22 H new ATOM 0 HG21 VAL A 52 -9.330 6.863 -0.297 1.00 62.25 H new ATOM 0 HG22 VAL A 52 -8.640 5.524 -1.243 1.00 62.25 H new ATOM 0 HG23 VAL A 52 -10.089 5.254 -0.246 1.00 62.25 H new ATOM 827 N ILE A 53 -6.135 2.845 2.192 1.00 62.10 N ATOM 828 CA ILE A 53 -5.407 2.351 3.387 1.00 31.24 C ATOM 829 C ILE A 53 -3.923 2.677 3.247 1.00 23.22 C ATOM 830 O ILE A 53 -3.430 2.815 2.137 1.00 2.13 O ATOM 831 CB ILE A 53 -5.584 0.788 3.587 1.00 63.04 C ATOM 832 CG1 ILE A 53 -5.482 0.051 2.208 1.00 35.40 C ATOM 833 CG2 ILE A 53 -6.905 0.464 4.327 1.00 53.35 C ATOM 834 CD1 ILE A 53 -5.494 -1.461 2.281 1.00 62.42 C ATOM 0 H ILE A 53 -5.647 2.658 1.316 1.00 62.10 H new ATOM 0 HA ILE A 53 -5.827 2.849 4.261 1.00 31.24 H new ATOM 0 HB ILE A 53 -4.775 0.422 4.219 1.00 63.04 H new ATOM 0 HG12 ILE A 53 -6.311 0.375 1.579 1.00 35.40 H new ATOM 0 HG13 ILE A 53 -4.564 0.367 1.712 1.00 35.40 H new ATOM 0 HG21 ILE A 53 -6.998 -0.615 4.449 1.00 53.35 H new ATOM 0 HG22 ILE A 53 -6.900 0.941 5.307 1.00 53.35 H new ATOM 0 HG23 ILE A 53 -7.748 0.838 3.746 1.00 53.35 H new ATOM 0 HD11 ILE A 53 -5.419 -1.874 1.275 1.00 62.42 H new ATOM 0 HD12 ILE A 53 -4.649 -1.803 2.878 1.00 62.42 H new ATOM 0 HD13 ILE A 53 -6.423 -1.796 2.743 1.00 62.42 H new ATOM 846 N CYS A 54 -3.215 2.798 4.373 1.00 40.14 N ATOM 847 CA CYS A 54 -1.754 2.966 4.391 1.00 22.44 C ATOM 848 C CYS A 54 -1.136 1.754 5.102 1.00 12.32 C ATOM 849 O CYS A 54 -1.434 1.501 6.277 1.00 31.11 O ATOM 850 CB CYS A 54 -1.374 4.276 5.100 1.00 62.31 C ATOM 851 SG CYS A 54 -2.314 5.717 4.514 1.00 72.22 S ATOM 0 H CYS A 54 -3.637 2.783 5.302 1.00 40.14 H new ATOM 0 HA CYS A 54 -1.370 3.024 3.372 1.00 22.44 H new ATOM 0 HB2 CYS A 54 -1.534 4.159 6.172 1.00 62.31 H new ATOM 0 HB3 CYS A 54 -0.310 4.463 4.955 1.00 62.31 H new ATOM 856 N VAL A 55 -0.312 0.987 4.376 1.00 75.51 N ATOM 857 CA VAL A 55 0.324 -0.242 4.883 1.00 73.32 C ATOM 858 C VAL A 55 1.842 -0.030 4.984 1.00 64.12 C ATOM 859 O VAL A 55 2.391 0.867 4.326 1.00 43.33 O ATOM 860 CB VAL A 55 0.001 -1.479 3.957 1.00 13.33 C ATOM 861 CG1 VAL A 55 -1.524 -1.629 3.744 1.00 73.42 C ATOM 862 CG2 VAL A 55 0.746 -1.406 2.600 1.00 1.21 C ATOM 0 H VAL A 55 -0.064 1.202 3.410 1.00 75.51 H new ATOM 0 HA VAL A 55 -0.079 -0.457 5.873 1.00 73.32 H new ATOM 0 HB VAL A 55 0.365 -2.367 4.474 1.00 13.33 H new ATOM 0 HG11 VAL A 55 -1.719 -2.488 3.103 1.00 73.42 H new ATOM 0 HG12 VAL A 55 -2.013 -1.776 4.707 1.00 73.42 H new ATOM 0 HG13 VAL A 55 -1.916 -0.728 3.272 1.00 73.42 H new ATOM 0 HG21 VAL A 55 0.492 -2.278 1.998 1.00 1.21 H new ATOM 0 HG22 VAL A 55 0.449 -0.501 2.070 1.00 1.21 H new ATOM 0 HG23 VAL A 55 1.822 -1.387 2.776 1.00 1.21 H new ATOM 872 N ASN A 56 2.512 -0.871 5.790 1.00 24.11 N ATOM 873 CA ASN A 56 3.970 -0.795 5.998 1.00 53.11 C ATOM 874 C ASN A 56 4.718 -1.059 4.664 1.00 13.12 C ATOM 875 O ASN A 56 4.390 -2.026 3.962 1.00 5.15 O ATOM 876 CB ASN A 56 4.428 -1.813 7.093 1.00 53.51 C ATOM 877 CG ASN A 56 3.946 -1.495 8.520 1.00 64.25 C ATOM 878 OD1 ASN A 56 4.642 -1.797 9.491 1.00 1.35 O ATOM 879 ND2 ASN A 56 2.755 -0.935 8.685 1.00 1.40 N ATOM 0 H ASN A 56 2.061 -1.621 6.315 1.00 24.11 H new ATOM 0 HA ASN A 56 4.216 0.209 6.344 1.00 53.11 H new ATOM 0 HB2 ASN A 56 4.070 -2.805 6.818 1.00 53.51 H new ATOM 0 HB3 ASN A 56 5.517 -1.856 7.095 1.00 53.51 H new ATOM 0 HD21 ASN A 56 2.405 -0.749 9.625 1.00 1.40 H new ATOM 0 HD22 ASN A 56 2.190 -0.690 7.872 1.00 1.40 H new ATOM 886 N PRO A 57 5.746 -0.216 4.311 1.00 42.43 N ATOM 887 CA PRO A 57 6.454 -0.309 3.003 1.00 10.13 C ATOM 888 C PRO A 57 7.221 -1.633 2.844 1.00 21.40 C ATOM 889 O PRO A 57 7.338 -2.174 1.743 1.00 74.24 O ATOM 890 CB PRO A 57 7.429 0.896 3.042 1.00 35.35 C ATOM 891 CG PRO A 57 7.654 1.136 4.511 1.00 31.15 C ATOM 892 CD PRO A 57 6.305 0.887 5.152 1.00 71.33 C ATOM 0 HA PRO A 57 5.765 -0.287 2.159 1.00 10.13 H new ATOM 0 HB2 PRO A 57 8.363 0.671 2.527 1.00 35.35 H new ATOM 0 HB3 PRO A 57 7.000 1.772 2.556 1.00 35.35 H new ATOM 0 HG2 PRO A 57 8.413 0.463 4.911 1.00 31.15 H new ATOM 0 HG3 PRO A 57 8.000 2.153 4.698 1.00 31.15 H new ATOM 0 HD2 PRO A 57 6.400 0.592 6.197 1.00 71.33 H new ATOM 0 HD3 PRO A 57 5.674 1.775 5.128 1.00 71.33 H new ATOM 900 N ARG A 58 7.729 -2.148 3.975 1.00 62.54 N ATOM 901 CA ARG A 58 8.544 -3.367 4.016 1.00 13.21 C ATOM 902 C ARG A 58 7.716 -4.584 4.470 1.00 1.51 C ATOM 903 O ARG A 58 8.279 -5.568 4.982 1.00 5.43 O ATOM 904 CB ARG A 58 9.781 -3.137 4.929 1.00 73.22 C ATOM 905 CG ARG A 58 10.817 -2.140 4.347 1.00 73.13 C ATOM 906 CD ARG A 58 12.108 -2.079 5.185 1.00 23.53 C ATOM 907 NE ARG A 58 12.803 -3.385 5.243 1.00 72.32 N ATOM 908 CZ ARG A 58 13.696 -3.746 6.184 1.00 10.11 C ATOM 909 NH1 ARG A 58 14.022 -2.920 7.172 1.00 60.23 N ATOM 910 NH2 ARG A 58 14.267 -4.934 6.122 1.00 13.44 N ATOM 0 H ARG A 58 7.583 -1.725 4.892 1.00 62.54 H new ATOM 0 HA ARG A 58 8.895 -3.590 3.008 1.00 13.21 H new ATOM 0 HB2 ARG A 58 9.442 -2.769 5.897 1.00 73.22 H new ATOM 0 HB3 ARG A 58 10.272 -4.094 5.106 1.00 73.22 H new ATOM 0 HG2 ARG A 58 11.063 -2.431 3.326 1.00 73.13 H new ATOM 0 HG3 ARG A 58 10.372 -1.146 4.297 1.00 73.13 H new ATOM 0 HD2 ARG A 58 12.779 -1.332 4.761 1.00 23.53 H new ATOM 0 HD3 ARG A 58 11.867 -1.753 6.197 1.00 23.53 H new ATOM 0 HE ARG A 58 12.589 -4.064 4.513 1.00 72.32 H new ATOM 0 HH11 ARG A 58 13.594 -1.996 7.226 1.00 60.23 H new ATOM 0 HH12 ARG A 58 14.700 -3.210 7.876 1.00 60.23 H new ATOM 0 HH21 ARG A 58 14.031 -5.574 5.364 1.00 13.44 H new ATOM 0 HH22 ARG A 58 14.944 -5.212 6.832 1.00 13.44 H new ATOM 924 N ALA A 59 6.383 -4.524 4.251 1.00 42.54 N ATOM 925 CA ALA A 59 5.501 -5.686 4.449 1.00 32.33 C ATOM 926 C ALA A 59 5.871 -6.789 3.427 1.00 41.11 C ATOM 927 O ALA A 59 6.022 -6.514 2.230 1.00 64.11 O ATOM 928 CB ALA A 59 4.020 -5.283 4.343 1.00 14.21 C ATOM 0 H ALA A 59 5.899 -3.682 3.938 1.00 42.54 H new ATOM 0 HA ALA A 59 5.646 -6.081 5.455 1.00 32.33 H new ATOM 0 HB1 ALA A 59 3.392 -6.161 4.493 1.00 14.21 H new ATOM 0 HB2 ALA A 59 3.790 -4.538 5.105 1.00 14.21 H new ATOM 0 HB3 ALA A 59 3.827 -4.864 3.356 1.00 14.21 H new ATOM 934 N LYS A 60 6.018 -8.023 3.936 1.00 74.11 N ATOM 935 CA LYS A 60 6.584 -9.178 3.204 1.00 13.34 C ATOM 936 C LYS A 60 5.813 -9.502 1.897 1.00 74.31 C ATOM 937 O LYS A 60 6.409 -9.928 0.898 1.00 72.42 O ATOM 938 CB LYS A 60 6.615 -10.392 4.170 1.00 3.24 C ATOM 939 CG LYS A 60 7.207 -11.693 3.587 1.00 24.31 C ATOM 940 CD LYS A 60 7.217 -12.844 4.624 1.00 31.42 C ATOM 941 CE LYS A 60 7.544 -14.212 3.999 1.00 60.32 C ATOM 942 NZ LYS A 60 6.530 -14.620 2.988 1.00 53.31 N ATOM 0 H LYS A 60 5.741 -8.255 4.890 1.00 74.11 H new ATOM 0 HA LYS A 60 7.595 -8.930 2.881 1.00 13.34 H new ATOM 0 HB2 LYS A 60 7.191 -10.116 5.053 1.00 3.24 H new ATOM 0 HB3 LYS A 60 5.597 -10.594 4.503 1.00 3.24 H new ATOM 0 HG2 LYS A 60 6.627 -11.996 2.715 1.00 24.31 H new ATOM 0 HG3 LYS A 60 8.224 -11.506 3.244 1.00 24.31 H new ATOM 0 HD2 LYS A 60 7.949 -12.621 5.400 1.00 31.42 H new ATOM 0 HD3 LYS A 60 6.243 -12.896 5.110 1.00 31.42 H new ATOM 0 HE2 LYS A 60 8.527 -14.171 3.530 1.00 60.32 H new ATOM 0 HE3 LYS A 60 7.597 -14.966 4.784 1.00 60.32 H new ATOM 0 HZ1 LYS A 60 6.625 -15.637 2.792 1.00 53.31 H new ATOM 0 HZ2 LYS A 60 5.576 -14.426 3.355 1.00 53.31 H new ATOM 0 HZ3 LYS A 60 6.679 -14.082 2.110 1.00 53.31 H new ATOM 956 N TRP A 61 4.495 -9.287 1.914 1.00 60.14 N ATOM 957 CA TRP A 61 3.620 -9.500 0.740 1.00 71.33 C ATOM 958 C TRP A 61 3.721 -8.327 -0.269 1.00 14.23 C ATOM 959 O TRP A 61 3.651 -8.538 -1.488 1.00 41.41 O ATOM 960 CB TRP A 61 2.154 -9.734 1.199 1.00 44.02 C ATOM 961 CG TRP A 61 1.587 -8.645 2.094 1.00 21.24 C ATOM 962 CD1 TRP A 61 1.675 -8.575 3.459 1.00 14.41 C ATOM 963 CD2 TRP A 61 0.837 -7.484 1.689 1.00 31.34 C ATOM 964 NE1 TRP A 61 1.044 -7.453 3.920 1.00 5.22 N ATOM 965 CE2 TRP A 61 0.525 -6.765 2.859 1.00 64.24 C ATOM 966 CE3 TRP A 61 0.410 -6.986 0.457 1.00 12.02 C ATOM 967 CZ2 TRP A 61 -0.193 -5.580 2.834 1.00 21.41 C ATOM 968 CZ3 TRP A 61 -0.301 -5.805 0.431 1.00 21.11 C ATOM 969 CH2 TRP A 61 -0.595 -5.114 1.615 1.00 14.10 C ATOM 0 H TRP A 61 3.996 -8.959 2.741 1.00 60.14 H new ATOM 0 HA TRP A 61 3.962 -10.394 0.218 1.00 71.33 H new ATOM 0 HB2 TRP A 61 1.521 -9.825 0.316 1.00 44.02 H new ATOM 0 HB3 TRP A 61 2.101 -10.685 1.729 1.00 44.02 H new ATOM 0 HD1 TRP A 61 2.172 -9.303 4.083 1.00 14.41 H new ATOM 0 HE1 TRP A 61 0.972 -7.174 4.899 1.00 5.22 H new ATOM 0 HE3 TRP A 61 0.632 -7.515 -0.458 1.00 12.02 H new ATOM 0 HZ2 TRP A 61 -0.426 -5.046 3.743 1.00 21.41 H new ATOM 0 HZ3 TRP A 61 -0.636 -5.406 -0.515 1.00 21.11 H new ATOM 0 HH2 TRP A 61 -1.153 -4.191 1.562 1.00 14.10 H new ATOM 980 N LEU A 62 3.910 -7.098 0.256 1.00 30.44 N ATOM 981 CA LEU A 62 3.967 -5.859 -0.554 1.00 62.43 C ATOM 982 C LEU A 62 5.262 -5.792 -1.394 1.00 22.31 C ATOM 983 O LEU A 62 5.326 -5.060 -2.380 1.00 24.52 O ATOM 984 CB LEU A 62 3.860 -4.614 0.359 1.00 35.31 C ATOM 985 CG LEU A 62 3.698 -3.234 -0.376 1.00 2.35 C ATOM 986 CD1 LEU A 62 2.269 -3.053 -0.930 1.00 20.12 C ATOM 987 CD2 LEU A 62 4.096 -2.057 0.526 1.00 72.40 C ATOM 0 H LEU A 62 4.028 -6.935 1.256 1.00 30.44 H new ATOM 0 HA LEU A 62 3.121 -5.872 -1.241 1.00 62.43 H new ATOM 0 HB2 LEU A 62 3.009 -4.750 1.027 1.00 35.31 H new ATOM 0 HB3 LEU A 62 4.752 -4.568 0.984 1.00 35.31 H new ATOM 0 HG LEU A 62 4.384 -3.241 -1.223 1.00 2.35 H new ATOM 0 HD11 LEU A 62 2.193 -2.088 -1.432 1.00 20.12 H new ATOM 0 HD12 LEU A 62 2.051 -3.850 -1.641 1.00 20.12 H new ATOM 0 HD13 LEU A 62 1.553 -3.093 -0.109 1.00 20.12 H new ATOM 0 HD21 LEU A 62 3.970 -1.122 -0.019 1.00 72.40 H new ATOM 0 HD22 LEU A 62 3.463 -2.048 1.413 1.00 72.40 H new ATOM 0 HD23 LEU A 62 5.139 -2.164 0.825 1.00 72.40 H new ATOM 999 N GLN A 63 6.288 -6.563 -0.978 1.00 14.21 N ATOM 1000 CA GLN A 63 7.590 -6.659 -1.685 1.00 4.11 C ATOM 1001 C GLN A 63 7.403 -6.989 -3.190 1.00 43.33 C ATOM 1002 O GLN A 63 8.123 -6.457 -4.048 1.00 73.30 O ATOM 1003 CB GLN A 63 8.486 -7.743 -1.015 1.00 32.34 C ATOM 1004 CG GLN A 63 8.897 -7.441 0.447 1.00 71.53 C ATOM 1005 CD GLN A 63 9.672 -8.580 1.129 1.00 2.33 C ATOM 1006 OE1 GLN A 63 10.536 -8.335 1.970 1.00 62.43 O ATOM 1007 NE2 GLN A 63 9.337 -9.832 0.819 1.00 55.22 N ATOM 0 H GLN A 63 6.240 -7.141 -0.139 1.00 14.21 H new ATOM 0 HA GLN A 63 8.077 -5.686 -1.612 1.00 4.11 H new ATOM 0 HB2 GLN A 63 7.956 -8.695 -1.038 1.00 32.34 H new ATOM 0 HB3 GLN A 63 9.389 -7.866 -1.612 1.00 32.34 H new ATOM 0 HG2 GLN A 63 9.509 -6.539 0.462 1.00 71.53 H new ATOM 0 HG3 GLN A 63 8.000 -7.227 1.028 1.00 71.53 H new ATOM 0 HE21 GLN A 63 8.617 -10.009 0.118 1.00 55.22 H new ATOM 0 HE22 GLN A 63 9.800 -10.614 1.283 1.00 55.22 H new ATOM 1016 N ARG A 64 6.407 -7.854 -3.486 1.00 42.43 N ATOM 1017 CA ARG A 64 6.088 -8.286 -4.865 1.00 72.13 C ATOM 1018 C ARG A 64 5.417 -7.153 -5.666 1.00 21.41 C ATOM 1019 O ARG A 64 5.565 -7.078 -6.889 1.00 12.45 O ATOM 1020 CB ARG A 64 5.180 -9.548 -4.855 1.00 32.42 C ATOM 1021 CG ARG A 64 5.840 -10.798 -4.222 1.00 51.00 C ATOM 1022 CD ARG A 64 5.003 -12.077 -4.421 1.00 72.02 C ATOM 1023 NE ARG A 64 5.647 -13.258 -3.803 1.00 73.41 N ATOM 1024 CZ ARG A 64 5.870 -14.446 -4.407 1.00 70.23 C ATOM 1025 NH1 ARG A 64 5.514 -14.659 -5.669 1.00 41.21 N ATOM 1026 NH2 ARG A 64 6.458 -15.420 -3.730 1.00 61.20 N ATOM 0 H ARG A 64 5.803 -8.271 -2.778 1.00 42.43 H new ATOM 0 HA ARG A 64 7.029 -8.538 -5.355 1.00 72.13 H new ATOM 0 HB2 ARG A 64 4.264 -9.319 -4.310 1.00 32.42 H new ATOM 0 HB3 ARG A 64 4.891 -9.783 -5.880 1.00 32.42 H new ATOM 0 HG2 ARG A 64 6.828 -10.943 -4.659 1.00 51.00 H new ATOM 0 HG3 ARG A 64 5.986 -10.626 -3.156 1.00 51.00 H new ATOM 0 HD2 ARG A 64 4.013 -11.935 -3.987 1.00 72.02 H new ATOM 0 HD3 ARG A 64 4.861 -12.256 -5.487 1.00 72.02 H new ATOM 0 HE ARG A 64 5.950 -13.167 -2.833 1.00 73.41 H new ATOM 0 HH11 ARG A 64 5.062 -13.917 -6.204 1.00 41.21 H new ATOM 0 HH12 ARG A 64 5.693 -15.564 -6.103 1.00 41.21 H new ATOM 0 HH21 ARG A 64 6.739 -15.270 -2.761 1.00 61.20 H new ATOM 0 HH22 ARG A 64 6.630 -16.320 -4.178 1.00 61.20 H new ATOM 1040 N LEU A 65 4.689 -6.279 -4.953 1.00 14.34 N ATOM 1041 CA LEU A 65 4.006 -5.106 -5.539 1.00 12.30 C ATOM 1042 C LEU A 65 5.048 -4.023 -5.901 1.00 30.14 C ATOM 1043 O LEU A 65 4.937 -3.357 -6.939 1.00 63.12 O ATOM 1044 CB LEU A 65 2.936 -4.547 -4.543 1.00 12.31 C ATOM 1045 CG LEU A 65 1.529 -5.249 -4.492 1.00 15.42 C ATOM 1046 CD1 LEU A 65 0.780 -5.137 -5.838 1.00 53.30 C ATOM 1047 CD2 LEU A 65 1.611 -6.722 -4.018 1.00 44.10 C ATOM 0 H LEU A 65 4.554 -6.364 -3.945 1.00 14.34 H new ATOM 0 HA LEU A 65 3.490 -5.408 -6.450 1.00 12.30 H new ATOM 0 HB2 LEU A 65 3.363 -4.584 -3.541 1.00 12.31 H new ATOM 0 HB3 LEU A 65 2.775 -3.496 -4.783 1.00 12.31 H new ATOM 0 HG LEU A 65 0.950 -4.708 -3.743 1.00 15.42 H new ATOM 0 HD11 LEU A 65 -0.186 -5.635 -5.759 1.00 53.30 H new ATOM 0 HD12 LEU A 65 0.628 -4.086 -6.083 1.00 53.30 H new ATOM 0 HD13 LEU A 65 1.369 -5.611 -6.623 1.00 53.30 H new ATOM 0 HD21 LEU A 65 0.611 -7.155 -4.002 1.00 44.10 H new ATOM 0 HD22 LEU A 65 2.242 -7.290 -4.702 1.00 44.10 H new ATOM 0 HD23 LEU A 65 2.038 -6.758 -3.016 1.00 44.10 H new ATOM 1059 N LEU A 66 6.065 -3.877 -5.031 1.00 64.22 N ATOM 1060 CA LEU A 66 7.204 -2.969 -5.249 1.00 12.22 C ATOM 1061 C LEU A 66 8.117 -3.508 -6.381 1.00 4.44 C ATOM 1062 O LEU A 66 8.789 -2.736 -7.079 1.00 62.24 O ATOM 1063 CB LEU A 66 8.007 -2.804 -3.930 1.00 71.15 C ATOM 1064 CG LEU A 66 7.205 -2.292 -2.686 1.00 21.54 C ATOM 1065 CD1 LEU A 66 8.104 -2.203 -1.435 1.00 11.25 C ATOM 1066 CD2 LEU A 66 6.510 -0.939 -2.968 1.00 62.43 C ATOM 0 H LEU A 66 6.119 -4.390 -4.151 1.00 64.22 H new ATOM 0 HA LEU A 66 6.826 -1.993 -5.553 1.00 12.22 H new ATOM 0 HB2 LEU A 66 8.451 -3.767 -3.678 1.00 71.15 H new ATOM 0 HB3 LEU A 66 8.829 -2.113 -4.115 1.00 71.15 H new ATOM 0 HG LEU A 66 6.424 -3.025 -2.485 1.00 21.54 H new ATOM 0 HD11 LEU A 66 7.517 -1.844 -0.590 1.00 11.25 H new ATOM 0 HD12 LEU A 66 8.506 -3.190 -1.205 1.00 11.25 H new ATOM 0 HD13 LEU A 66 8.925 -1.512 -1.625 1.00 11.25 H new ATOM 0 HD21 LEU A 66 5.964 -0.618 -2.081 1.00 62.43 H new ATOM 0 HD22 LEU A 66 7.260 -0.191 -3.223 1.00 62.43 H new ATOM 0 HD23 LEU A 66 5.815 -1.053 -3.800 1.00 62.43 H new ATOM 1078 N ARG A 67 8.142 -4.846 -6.530 1.00 35.13 N ATOM 1079 CA ARG A 67 8.862 -5.535 -7.622 1.00 64.12 C ATOM 1080 C ARG A 67 8.021 -5.525 -8.931 1.00 23.10 C ATOM 1081 O ARG A 67 8.574 -5.644 -10.032 1.00 4.30 O ATOM 1082 CB ARG A 67 9.207 -6.992 -7.174 1.00 41.54 C ATOM 1083 CG ARG A 67 9.986 -7.870 -8.194 1.00 43.52 C ATOM 1084 CD ARG A 67 11.378 -7.313 -8.561 1.00 21.41 C ATOM 1085 NE ARG A 67 12.116 -8.211 -9.471 1.00 41.44 N ATOM 1086 CZ ARG A 67 13.186 -7.856 -10.221 1.00 5.35 C ATOM 1087 NH1 ARG A 67 13.657 -6.615 -10.185 1.00 31.24 N ATOM 1088 NH2 ARG A 67 13.772 -8.759 -10.996 1.00 72.33 N ATOM 0 H ARG A 67 7.662 -5.483 -5.895 1.00 35.13 H new ATOM 0 HA ARG A 67 9.791 -5.006 -7.834 1.00 64.12 H new ATOM 0 HB2 ARG A 67 9.792 -6.936 -6.256 1.00 41.54 H new ATOM 0 HB3 ARG A 67 8.276 -7.502 -6.928 1.00 41.54 H new ATOM 0 HG2 ARG A 67 10.103 -8.872 -7.781 1.00 43.52 H new ATOM 0 HG3 ARG A 67 9.393 -7.967 -9.103 1.00 43.52 H new ATOM 0 HD2 ARG A 67 11.264 -6.336 -9.031 1.00 21.41 H new ATOM 0 HD3 ARG A 67 11.959 -7.163 -7.651 1.00 21.41 H new ATOM 0 HE ARG A 67 11.794 -9.176 -9.540 1.00 41.44 H new ATOM 0 HH11 ARG A 67 13.212 -5.918 -9.588 1.00 31.24 H new ATOM 0 HH12 ARG A 67 14.464 -6.359 -10.754 1.00 31.24 H new ATOM 0 HH21 ARG A 67 13.416 -9.715 -11.025 1.00 72.33 H new ATOM 0 HH22 ARG A 67 14.578 -8.498 -11.563 1.00 72.33 H new ATOM 1102 N HIS A 68 6.680 -5.381 -8.792 1.00 73.10 N ATOM 1103 CA HIS A 68 5.741 -5.355 -9.940 1.00 14.34 C ATOM 1104 C HIS A 68 5.845 -4.028 -10.718 1.00 64.05 C ATOM 1105 O HIS A 68 5.746 -4.017 -11.950 1.00 42.31 O ATOM 1106 CB HIS A 68 4.283 -5.573 -9.450 1.00 51.01 C ATOM 1107 CG HIS A 68 3.253 -5.706 -10.550 1.00 42.50 C ATOM 1108 ND1 HIS A 68 2.105 -4.943 -10.612 1.00 33.32 N ATOM 1109 CD2 HIS A 68 3.200 -6.540 -11.619 1.00 61.42 C ATOM 1110 CE1 HIS A 68 1.395 -5.308 -11.661 1.00 44.23 C ATOM 1111 NE2 HIS A 68 2.041 -6.271 -12.289 1.00 63.32 N ATOM 0 H HIS A 68 6.221 -5.280 -7.886 1.00 73.10 H new ATOM 0 HA HIS A 68 6.016 -6.166 -10.615 1.00 14.34 H new ATOM 0 HB2 HIS A 68 4.253 -6.472 -8.834 1.00 51.01 H new ATOM 0 HB3 HIS A 68 4.002 -4.738 -8.809 1.00 51.01 H new ATOM 0 HD2 HIS A 68 3.938 -7.280 -11.890 1.00 61.42 H new ATOM 0 HE1 HIS A 68 0.444 -4.889 -11.956 1.00 44.23 H new ATOM 0 HE2 HIS A 68 1.726 -6.739 -13.138 1.00 63.32 H new ATOM 1120 N VAL A 69 6.042 -2.911 -9.984 1.00 5.22 N ATOM 1121 CA VAL A 69 6.106 -1.556 -10.591 1.00 1.41 C ATOM 1122 C VAL A 69 7.388 -1.360 -11.430 1.00 2.22 C ATOM 1123 O VAL A 69 7.387 -0.585 -12.395 1.00 45.31 O ATOM 1124 CB VAL A 69 5.985 -0.392 -9.531 1.00 44.12 C ATOM 1125 CG1 VAL A 69 4.631 -0.447 -8.795 1.00 65.12 C ATOM 1126 CG2 VAL A 69 7.169 -0.372 -8.524 1.00 3.41 C ATOM 0 H VAL A 69 6.160 -2.917 -8.971 1.00 5.22 H new ATOM 0 HA VAL A 69 5.238 -1.498 -11.247 1.00 1.41 H new ATOM 0 HB VAL A 69 6.034 0.543 -10.089 1.00 44.12 H new ATOM 0 HG11 VAL A 69 4.577 0.367 -8.072 1.00 65.12 H new ATOM 0 HG12 VAL A 69 3.820 -0.346 -9.517 1.00 65.12 H new ATOM 0 HG13 VAL A 69 4.538 -1.401 -8.276 1.00 65.12 H new ATOM 0 HG21 VAL A 69 7.033 0.448 -7.819 1.00 3.41 H new ATOM 0 HG22 VAL A 69 7.200 -1.316 -7.980 1.00 3.41 H new ATOM 0 HG23 VAL A 69 8.105 -0.234 -9.065 1.00 3.41 H new ATOM 1136 N GLN A 70 8.470 -2.053 -11.043 1.00 14.30 N ATOM 1137 CA GLN A 70 9.751 -2.026 -11.778 1.00 11.13 C ATOM 1138 C GLN A 70 9.816 -3.225 -12.744 1.00 72.33 C ATOM 1139 O GLN A 70 9.084 -4.211 -12.573 1.00 41.20 O ATOM 1140 CB GLN A 70 10.950 -2.043 -10.787 1.00 4.11 C ATOM 1141 CG GLN A 70 11.068 -3.313 -9.912 1.00 55.23 C ATOM 1142 CD GLN A 70 12.221 -3.284 -8.900 1.00 53.23 C ATOM 1143 OE1 GLN A 70 12.800 -4.321 -8.576 1.00 24.53 O ATOM 1144 NE2 GLN A 70 12.532 -2.119 -8.341 1.00 54.04 N ATOM 0 H GLN A 70 8.485 -2.647 -10.214 1.00 14.30 H new ATOM 0 HA GLN A 70 9.813 -1.105 -12.357 1.00 11.13 H new ATOM 0 HB2 GLN A 70 11.872 -1.928 -11.357 1.00 4.11 H new ATOM 0 HB3 GLN A 70 10.870 -1.176 -10.131 1.00 4.11 H new ATOM 0 HG2 GLN A 70 10.132 -3.455 -9.373 1.00 55.23 H new ATOM 0 HG3 GLN A 70 11.195 -4.177 -10.564 1.00 55.23 H new ATOM 0 HE21 GLN A 70 12.041 -1.271 -8.623 1.00 54.04 H new ATOM 0 HE22 GLN A 70 13.262 -2.073 -7.630 1.00 54.04 H new ATOM 1153 N SER A 71 10.685 -3.117 -13.764 1.00 10.45 N ATOM 1154 CA SER A 71 10.921 -4.199 -14.727 1.00 63.31 C ATOM 1155 C SER A 71 11.759 -5.313 -14.073 1.00 14.14 C ATOM 1156 O SER A 71 12.678 -5.035 -13.287 1.00 71.43 O ATOM 1157 CB SER A 71 11.630 -3.650 -15.991 1.00 34.33 C ATOM 1158 OG SER A 71 11.839 -4.667 -16.955 1.00 43.23 O ATOM 0 H SER A 71 11.240 -2.280 -13.941 1.00 10.45 H new ATOM 0 HA SER A 71 9.962 -4.619 -15.030 1.00 63.31 H new ATOM 0 HB2 SER A 71 11.030 -2.852 -16.428 1.00 34.33 H new ATOM 0 HB3 SER A 71 12.588 -3.212 -15.710 1.00 34.33 H new ATOM 0 HG SER A 71 12.286 -4.287 -17.740 1.00 43.23 H new ATOM 1164 N LYS A 72 11.407 -6.574 -14.371 1.00 13.04 N ATOM 1165 CA LYS A 72 12.161 -7.754 -13.921 1.00 54.15 C ATOM 1166 C LYS A 72 13.172 -8.148 -15.008 1.00 50.23 C ATOM 1167 O LYS A 72 14.382 -8.213 -14.758 1.00 13.43 O ATOM 1168 CB LYS A 72 11.182 -8.923 -13.609 1.00 11.21 C ATOM 1169 CG LYS A 72 10.177 -8.613 -12.474 1.00 44.03 C ATOM 1170 CD LYS A 72 9.142 -9.750 -12.272 1.00 42.51 C ATOM 1171 CE LYS A 72 8.083 -9.411 -11.208 1.00 15.31 C ATOM 1172 NZ LYS A 72 6.990 -10.417 -11.172 1.00 72.14 N ATOM 0 H LYS A 72 10.588 -6.804 -14.933 1.00 13.04 H new ATOM 0 HA LYS A 72 12.705 -7.523 -13.005 1.00 54.15 H new ATOM 0 HB2 LYS A 72 10.628 -9.171 -14.514 1.00 11.21 H new ATOM 0 HB3 LYS A 72 11.761 -9.806 -13.338 1.00 11.21 H new ATOM 0 HG2 LYS A 72 10.722 -8.453 -11.544 1.00 44.03 H new ATOM 0 HG3 LYS A 72 9.653 -7.685 -12.700 1.00 44.03 H new ATOM 0 HD2 LYS A 72 8.645 -9.955 -13.220 1.00 42.51 H new ATOM 0 HD3 LYS A 72 9.663 -10.662 -11.981 1.00 42.51 H new ATOM 0 HE2 LYS A 72 8.558 -9.356 -10.228 1.00 15.31 H new ATOM 0 HE3 LYS A 72 7.663 -8.427 -11.415 1.00 15.31 H new ATOM 0 HZ1 LYS A 72 6.298 -10.152 -10.442 1.00 72.14 H new ATOM 0 HZ2 LYS A 72 6.520 -10.452 -12.099 1.00 72.14 H new ATOM 0 HZ3 LYS A 72 7.386 -11.352 -10.949 1.00 72.14 H new ATOM 1186 N SER A 73 12.655 -8.368 -16.223 1.00 43.51 N ATOM 1187 CA SER A 73 13.452 -8.746 -17.403 1.00 12.12 C ATOM 1188 C SER A 73 12.575 -8.611 -18.667 1.00 3.40 C ATOM 1189 O SER A 73 11.444 -8.095 -18.598 1.00 21.45 O ATOM 1190 CB SER A 73 13.987 -10.198 -17.245 1.00 32.42 C ATOM 1191 OG SER A 73 14.928 -10.531 -18.255 1.00 53.42 O ATOM 0 H SER A 73 11.657 -8.288 -16.420 1.00 43.51 H new ATOM 0 HA SER A 73 14.312 -8.083 -17.498 1.00 12.12 H new ATOM 0 HB2 SER A 73 14.452 -10.308 -16.265 1.00 32.42 H new ATOM 0 HB3 SER A 73 13.152 -10.898 -17.282 1.00 32.42 H new ATOM 0 HG SER A 73 14.491 -11.075 -18.943 1.00 53.42 H new ATOM 1197 N LEU A 74 13.093 -9.073 -19.820 1.00 43.15 N ATOM 1198 CA LEU A 74 12.342 -9.112 -21.082 1.00 11.02 C ATOM 1199 C LEU A 74 12.910 -10.232 -21.967 1.00 44.02 C ATOM 1200 O LEU A 74 14.135 -10.366 -22.095 1.00 3.10 O ATOM 1201 CB LEU A 74 12.400 -7.712 -21.787 1.00 45.44 C ATOM 1202 CG LEU A 74 11.400 -7.459 -22.988 1.00 51.42 C ATOM 1203 CD1 LEU A 74 11.093 -5.951 -23.172 1.00 22.31 C ATOM 1204 CD2 LEU A 74 11.912 -8.061 -24.324 1.00 32.53 C ATOM 0 H LEU A 74 14.045 -9.429 -19.900 1.00 43.15 H new ATOM 0 HA LEU A 74 11.291 -9.330 -20.891 1.00 11.02 H new ATOM 0 HB2 LEU A 74 12.220 -6.947 -21.032 1.00 45.44 H new ATOM 0 HB3 LEU A 74 13.415 -7.563 -22.156 1.00 45.44 H new ATOM 0 HG LEU A 74 10.477 -7.973 -22.721 1.00 51.42 H new ATOM 0 HD11 LEU A 74 10.403 -5.819 -24.006 1.00 22.31 H new ATOM 0 HD12 LEU A 74 10.641 -5.558 -22.261 1.00 22.31 H new ATOM 0 HD13 LEU A 74 12.019 -5.414 -23.378 1.00 22.31 H new ATOM 0 HD21 LEU A 74 11.189 -7.859 -25.115 1.00 32.53 H new ATOM 0 HD22 LEU A 74 12.869 -7.609 -24.584 1.00 32.53 H new ATOM 0 HD23 LEU A 74 12.038 -9.138 -24.213 1.00 32.53 H new ATOM 1216 N SER A 75 12.006 -11.024 -22.574 1.00 33.23 N ATOM 1217 CA SER A 75 12.370 -12.115 -23.490 1.00 3.41 C ATOM 1218 C SER A 75 11.272 -12.277 -24.562 1.00 33.42 C ATOM 1219 O SER A 75 10.091 -12.013 -24.290 1.00 13.24 O ATOM 1220 CB SER A 75 12.563 -13.433 -22.707 1.00 1.24 C ATOM 1221 OG SER A 75 13.101 -14.454 -23.527 1.00 54.43 O ATOM 0 H SER A 75 11.000 -10.923 -22.441 1.00 33.23 H new ATOM 0 HA SER A 75 13.312 -11.871 -23.981 1.00 3.41 H new ATOM 0 HB2 SER A 75 13.226 -13.259 -21.860 1.00 1.24 H new ATOM 0 HB3 SER A 75 11.605 -13.759 -22.301 1.00 1.24 H new ATOM 0 HG SER A 75 13.212 -15.273 -23.000 1.00 54.43 H new ATOM 1227 N SER A 76 11.676 -12.688 -25.770 1.00 41.03 N ATOM 1228 CA SER A 76 10.762 -12.886 -26.915 1.00 22.22 C ATOM 1229 C SER A 76 11.350 -13.939 -27.873 1.00 13.23 C ATOM 1230 O SER A 76 12.578 -14.072 -27.978 1.00 14.53 O ATOM 1231 CB SER A 76 10.540 -11.535 -27.642 1.00 70.43 C ATOM 1232 OG SER A 76 11.771 -10.930 -27.996 1.00 11.21 O ATOM 0 H SER A 76 12.651 -12.895 -25.988 1.00 41.03 H new ATOM 0 HA SER A 76 9.798 -13.248 -26.559 1.00 22.22 H new ATOM 0 HB2 SER A 76 9.941 -11.697 -28.538 1.00 70.43 H new ATOM 0 HB3 SER A 76 9.974 -10.862 -26.998 1.00 70.43 H new ATOM 0 HG SER A 76 11.598 -10.081 -28.454 1.00 11.21 H new ATOM 1238 N THR A 77 10.472 -14.708 -28.543 1.00 75.04 N ATOM 1239 CA THR A 77 10.863 -15.736 -29.527 1.00 22.15 C ATOM 1240 C THR A 77 10.414 -15.325 -30.954 1.00 23.04 C ATOM 1241 O THR A 77 9.261 -15.565 -31.330 1.00 62.15 O ATOM 1242 CB THR A 77 10.259 -17.134 -29.129 1.00 73.02 C ATOM 1243 OG1 THR A 77 10.711 -17.478 -27.810 1.00 2.02 O ATOM 1244 CG2 THR A 77 10.660 -18.260 -30.109 1.00 55.42 C ATOM 0 H THR A 77 9.463 -14.633 -28.416 1.00 75.04 H new ATOM 0 HA THR A 77 11.950 -15.821 -29.527 1.00 22.15 H new ATOM 0 HB THR A 77 9.173 -17.043 -29.165 1.00 73.02 H new ATOM 0 HG1 THR A 77 10.338 -18.347 -27.553 1.00 2.02 H new ATOM 0 HG21 THR A 77 10.215 -19.201 -29.784 1.00 55.42 H new ATOM 0 HG22 THR A 77 10.303 -18.016 -31.110 1.00 55.42 H new ATOM 0 HG23 THR A 77 11.745 -18.359 -30.125 1.00 55.42 H new ATOM 1252 N PRO A 78 11.295 -14.623 -31.745 1.00 64.20 N ATOM 1253 CA PRO A 78 11.052 -14.379 -33.184 1.00 72.53 C ATOM 1254 C PRO A 78 11.452 -15.611 -34.041 1.00 43.52 C ATOM 1255 O PRO A 78 12.640 -15.946 -34.159 1.00 3.25 O ATOM 1256 CB PRO A 78 11.934 -13.136 -33.477 1.00 24.14 C ATOM 1257 CG PRO A 78 13.093 -13.242 -32.517 1.00 1.13 C ATOM 1258 CD PRO A 78 12.559 -13.965 -31.283 1.00 3.15 C ATOM 0 HA PRO A 78 10.003 -14.212 -33.430 1.00 72.53 H new ATOM 0 HB2 PRO A 78 12.278 -13.131 -34.511 1.00 24.14 H new ATOM 0 HB3 PRO A 78 11.377 -12.212 -33.322 1.00 24.14 H new ATOM 0 HG2 PRO A 78 13.920 -13.794 -32.964 1.00 1.13 H new ATOM 0 HG3 PRO A 78 13.473 -12.255 -32.255 1.00 1.13 H new ATOM 0 HD2 PRO A 78 13.275 -14.699 -30.913 1.00 3.15 H new ATOM 0 HD3 PRO A 78 12.367 -13.268 -30.467 1.00 3.15 H new ATOM 1266 N GLN A 79 10.447 -16.294 -34.607 1.00 11.30 N ATOM 1267 CA GLN A 79 10.650 -17.479 -35.462 1.00 13.30 C ATOM 1268 C GLN A 79 9.532 -17.546 -36.510 1.00 43.24 C ATOM 1269 O GLN A 79 8.361 -17.319 -36.189 1.00 40.35 O ATOM 1270 CB GLN A 79 10.680 -18.782 -34.604 1.00 13.33 C ATOM 1271 CG GLN A 79 10.882 -20.093 -35.409 1.00 2.03 C ATOM 1272 CD GLN A 79 10.922 -21.358 -34.548 1.00 43.53 C ATOM 1273 OE1 GLN A 79 10.310 -21.421 -33.486 1.00 61.01 O ATOM 1274 NE2 GLN A 79 11.639 -22.379 -34.997 1.00 31.13 N ATOM 0 H GLN A 79 9.466 -16.042 -34.486 1.00 11.30 H new ATOM 0 HA GLN A 79 11.611 -17.393 -35.968 1.00 13.30 H new ATOM 0 HB2 GLN A 79 11.481 -18.697 -33.870 1.00 13.33 H new ATOM 0 HB3 GLN A 79 9.745 -18.855 -34.049 1.00 13.33 H new ATOM 0 HG2 GLN A 79 10.076 -20.187 -36.136 1.00 2.03 H new ATOM 0 HG3 GLN A 79 11.812 -20.021 -35.972 1.00 2.03 H new ATOM 0 HE21 GLN A 79 12.138 -22.301 -35.883 1.00 31.13 H new ATOM 0 HE22 GLN A 79 11.691 -23.242 -34.456 1.00 31.13 H new ATOM 1283 N ALA A 80 9.914 -17.829 -37.769 1.00 72.32 N ATOM 1284 CA ALA A 80 8.969 -18.120 -38.856 1.00 43.52 C ATOM 1285 C ALA A 80 8.384 -19.536 -38.656 1.00 61.00 C ATOM 1286 O ALA A 80 9.155 -20.449 -38.326 1.00 61.22 O ATOM 1287 CB ALA A 80 9.687 -18.020 -40.214 1.00 32.53 C ATOM 0 H ALA A 80 10.891 -17.862 -38.059 1.00 72.32 H new ATOM 0 HA ALA A 80 8.156 -17.394 -38.842 1.00 43.52 H new ATOM 0 HB1 ALA A 80 8.981 -18.237 -41.016 1.00 32.53 H new ATOM 0 HB2 ALA A 80 10.084 -17.013 -40.342 1.00 32.53 H new ATOM 0 HB3 ALA A 80 10.505 -18.739 -40.247 1.00 32.53 H new ATOM 1293 N PRO A 81 7.024 -19.745 -38.793 1.00 32.22 N ATOM 1294 CA PRO A 81 6.417 -21.103 -38.722 1.00 1.31 C ATOM 1295 C PRO A 81 7.066 -22.075 -39.731 1.00 32.32 C ATOM 1296 O PRO A 81 6.835 -21.962 -40.946 1.00 45.04 O ATOM 1297 CB PRO A 81 4.922 -20.854 -39.051 1.00 64.15 C ATOM 1298 CG PRO A 81 4.683 -19.424 -38.657 1.00 53.30 C ATOM 1299 CD PRO A 81 5.976 -18.693 -38.972 1.00 44.24 C ATOM 0 HA PRO A 81 6.562 -21.574 -37.750 1.00 1.31 H new ATOM 0 HB2 PRO A 81 4.717 -21.014 -40.110 1.00 64.15 H new ATOM 0 HB3 PRO A 81 4.275 -21.532 -38.495 1.00 64.15 H new ATOM 0 HG2 PRO A 81 3.847 -18.999 -39.212 1.00 53.30 H new ATOM 0 HG3 PRO A 81 4.436 -19.345 -37.598 1.00 53.30 H new ATOM 0 HD2 PRO A 81 5.975 -18.296 -39.987 1.00 44.24 H new ATOM 0 HD3 PRO A 81 6.135 -17.850 -38.300 1.00 44.24 H new ATOM 1307 N VAL A 82 7.943 -22.974 -39.219 1.00 1.22 N ATOM 1308 CA VAL A 82 8.576 -24.031 -40.040 1.00 73.25 C ATOM 1309 C VAL A 82 7.510 -25.061 -40.494 1.00 14.05 C ATOM 1310 O VAL A 82 7.229 -26.069 -39.832 1.00 53.03 O ATOM 1311 CB VAL A 82 9.839 -24.722 -39.348 1.00 12.04 C ATOM 1312 CG1 VAL A 82 9.516 -25.466 -38.020 1.00 30.33 C ATOM 1313 CG2 VAL A 82 10.557 -25.672 -40.342 1.00 20.31 C ATOM 0 H VAL A 82 8.227 -22.986 -38.239 1.00 1.22 H new ATOM 0 HA VAL A 82 8.989 -23.544 -40.924 1.00 73.25 H new ATOM 0 HB VAL A 82 10.505 -23.904 -39.074 1.00 12.04 H new ATOM 0 HG11 VAL A 82 10.429 -25.905 -37.618 1.00 30.33 H new ATOM 0 HG12 VAL A 82 9.105 -24.760 -37.298 1.00 30.33 H new ATOM 0 HG13 VAL A 82 8.788 -26.254 -38.212 1.00 30.33 H new ATOM 0 HG21 VAL A 82 11.414 -26.132 -39.851 1.00 20.31 H new ATOM 0 HG22 VAL A 82 9.865 -26.449 -40.667 1.00 20.31 H new ATOM 0 HG23 VAL A 82 10.897 -25.103 -41.208 1.00 20.31 H new ATOM 1323 N SER A 83 6.854 -24.726 -41.609 1.00 74.32 N ATOM 1324 CA SER A 83 5.752 -25.508 -42.162 1.00 11.43 C ATOM 1325 C SER A 83 6.328 -26.479 -43.206 1.00 12.42 C ATOM 1326 O SER A 83 6.465 -26.133 -44.390 1.00 3.41 O ATOM 1327 CB SER A 83 4.701 -24.547 -42.767 1.00 22.32 C ATOM 1328 OG SER A 83 3.507 -25.219 -43.129 1.00 11.22 O ATOM 0 H SER A 83 7.078 -23.895 -42.156 1.00 74.32 H new ATOM 0 HA SER A 83 5.250 -26.093 -41.392 1.00 11.43 H new ATOM 0 HB2 SER A 83 4.470 -23.763 -42.046 1.00 22.32 H new ATOM 0 HB3 SER A 83 5.121 -24.058 -43.646 1.00 22.32 H new ATOM 0 HG SER A 83 2.871 -24.576 -43.505 1.00 11.22 H new ATOM 1334 N LYS A 84 6.741 -27.668 -42.732 1.00 44.22 N ATOM 1335 CA LYS A 84 7.357 -28.706 -43.573 1.00 50.01 C ATOM 1336 C LYS A 84 6.266 -29.474 -44.341 1.00 12.43 C ATOM 1337 O LYS A 84 5.917 -30.609 -43.975 1.00 63.15 O ATOM 1338 CB LYS A 84 8.215 -29.683 -42.711 1.00 43.42 C ATOM 1339 CG LYS A 84 9.429 -29.047 -41.997 1.00 62.05 C ATOM 1340 CD LYS A 84 10.215 -30.080 -41.141 1.00 55.43 C ATOM 1341 CE LYS A 84 11.461 -29.479 -40.458 1.00 62.31 C ATOM 1342 NZ LYS A 84 12.483 -29.007 -41.437 1.00 12.24 N ATOM 0 H LYS A 84 6.656 -27.935 -41.751 1.00 44.22 H new ATOM 0 HA LYS A 84 8.020 -28.224 -44.291 1.00 50.01 H new ATOM 0 HB2 LYS A 84 7.571 -30.138 -41.959 1.00 43.42 H new ATOM 0 HB3 LYS A 84 8.573 -30.488 -43.353 1.00 43.42 H new ATOM 0 HG2 LYS A 84 10.097 -28.610 -42.739 1.00 62.05 H new ATOM 0 HG3 LYS A 84 9.087 -28.233 -41.358 1.00 62.05 H new ATOM 0 HD2 LYS A 84 9.553 -30.490 -40.379 1.00 55.43 H new ATOM 0 HD3 LYS A 84 10.522 -30.911 -41.777 1.00 55.43 H new ATOM 0 HE2 LYS A 84 11.157 -28.645 -39.826 1.00 62.31 H new ATOM 0 HE3 LYS A 84 11.909 -30.228 -39.804 1.00 62.31 H new ATOM 0 HZ1 LYS A 84 13.333 -28.691 -40.927 1.00 12.24 H new ATOM 0 HZ2 LYS A 84 12.734 -29.785 -42.079 1.00 12.24 H new ATOM 0 HZ3 LYS A 84 12.096 -28.215 -41.988 1.00 12.24 H new ATOM 1356 N ARG A 85 5.675 -28.813 -45.363 1.00 54.22 N ATOM 1357 CA ARG A 85 4.709 -29.470 -46.256 1.00 61.23 C ATOM 1358 C ARG A 85 5.433 -30.576 -47.051 1.00 63.45 C ATOM 1359 O ARG A 85 6.401 -30.313 -47.782 1.00 22.35 O ATOM 1360 CB ARG A 85 3.965 -28.461 -47.196 1.00 25.25 C ATOM 1361 CG ARG A 85 4.787 -27.793 -48.339 1.00 40.44 C ATOM 1362 CD ARG A 85 3.912 -26.897 -49.243 1.00 42.13 C ATOM 1363 NE ARG A 85 2.784 -27.644 -49.839 1.00 73.15 N ATOM 1364 CZ ARG A 85 1.776 -27.100 -50.545 1.00 50.34 C ATOM 1365 NH1 ARG A 85 1.720 -25.789 -50.777 1.00 62.22 N ATOM 1366 NH2 ARG A 85 0.824 -27.879 -51.019 1.00 62.31 N ATOM 0 H ARG A 85 5.852 -27.833 -45.584 1.00 54.22 H new ATOM 0 HA ARG A 85 3.926 -29.919 -45.645 1.00 61.23 H new ATOM 0 HB2 ARG A 85 3.123 -28.984 -47.650 1.00 25.25 H new ATOM 0 HB3 ARG A 85 3.549 -27.668 -46.574 1.00 25.25 H new ATOM 0 HG2 ARG A 85 5.589 -27.195 -47.906 1.00 40.44 H new ATOM 0 HG3 ARG A 85 5.258 -28.567 -48.945 1.00 40.44 H new ATOM 0 HD2 ARG A 85 3.525 -26.061 -48.660 1.00 42.13 H new ATOM 0 HD3 ARG A 85 4.527 -26.474 -50.038 1.00 42.13 H new ATOM 0 HE ARG A 85 2.769 -28.655 -49.704 1.00 73.15 H new ATOM 0 HH11 ARG A 85 2.451 -25.176 -50.417 1.00 62.22 H new ATOM 0 HH12 ARG A 85 0.946 -25.399 -51.315 1.00 62.22 H new ATOM 0 HH21 ARG A 85 0.856 -28.884 -50.849 1.00 62.31 H new ATOM 0 HH22 ARG A 85 0.055 -27.476 -51.555 1.00 62.31 H new ATOM 1380 N ARG A 86 4.990 -31.823 -46.851 1.00 24.32 N ATOM 1381 CA ARG A 86 5.671 -33.003 -47.378 1.00 33.35 C ATOM 1382 C ARG A 86 4.683 -34.176 -47.441 1.00 34.43 C ATOM 1383 O ARG A 86 4.404 -34.825 -46.426 1.00 61.15 O ATOM 1384 CB ARG A 86 6.909 -33.334 -46.484 1.00 62.31 C ATOM 1385 CG ARG A 86 7.768 -34.536 -46.941 1.00 72.14 C ATOM 1386 CD ARG A 86 8.335 -34.369 -48.358 1.00 5.12 C ATOM 1387 NE ARG A 86 9.143 -33.143 -48.504 1.00 31.41 N ATOM 1388 CZ ARG A 86 9.717 -32.731 -49.650 1.00 74.31 C ATOM 1389 NH1 ARG A 86 9.594 -33.439 -50.772 1.00 45.32 N ATOM 1390 NH2 ARG A 86 10.394 -31.597 -49.672 1.00 61.01 N ATOM 0 H ARG A 86 4.148 -32.038 -46.318 1.00 24.32 H new ATOM 0 HA ARG A 86 6.031 -32.812 -48.389 1.00 33.35 H new ATOM 0 HB2 ARG A 86 7.547 -32.452 -46.439 1.00 62.31 H new ATOM 0 HB3 ARG A 86 6.560 -33.526 -45.470 1.00 62.31 H new ATOM 0 HG2 ARG A 86 8.592 -34.673 -46.241 1.00 72.14 H new ATOM 0 HG3 ARG A 86 7.163 -35.442 -46.903 1.00 72.14 H new ATOM 0 HD2 ARG A 86 8.948 -35.236 -48.605 1.00 5.12 H new ATOM 0 HD3 ARG A 86 7.513 -34.346 -49.074 1.00 5.12 H new ATOM 0 HE ARG A 86 9.277 -32.564 -47.675 1.00 31.41 H new ATOM 0 HH11 ARG A 86 9.059 -34.307 -50.771 1.00 45.32 H new ATOM 0 HH12 ARG A 86 10.035 -33.113 -51.632 1.00 45.32 H new ATOM 0 HH21 ARG A 86 10.480 -31.038 -48.823 1.00 61.01 H new ATOM 0 HH22 ARG A 86 10.831 -31.280 -50.538 1.00 61.01 H new ATOM 1404 N ALA A 87 4.104 -34.382 -48.626 1.00 41.02 N ATOM 1405 CA ALA A 87 3.267 -35.552 -48.915 1.00 22.44 C ATOM 1406 C ALA A 87 4.154 -36.711 -49.393 1.00 11.11 C ATOM 1407 O ALA A 87 3.939 -37.873 -49.022 1.00 41.50 O ATOM 1408 CB ALA A 87 2.204 -35.196 -49.964 1.00 33.24 C ATOM 0 H ALA A 87 4.202 -33.742 -49.414 1.00 41.02 H new ATOM 0 HA ALA A 87 2.749 -35.864 -48.008 1.00 22.44 H new ATOM 0 HB1 ALA A 87 1.589 -36.072 -50.170 1.00 33.24 H new ATOM 0 HB2 ALA A 87 1.574 -34.391 -49.585 1.00 33.24 H new ATOM 0 HB3 ALA A 87 2.693 -34.872 -50.882 1.00 33.24 H new ATOM 1414 N ALA A 88 5.157 -36.348 -50.215 1.00 31.40 N ATOM 1415 CA ALA A 88 6.172 -37.255 -50.773 1.00 4.22 C ATOM 1416 C ALA A 88 7.170 -36.410 -51.606 1.00 52.12 C ATOM 1417 O ALA A 88 6.792 -35.933 -52.695 1.00 42.12 O ATOM 1418 CB ALA A 88 5.539 -38.380 -51.630 1.00 64.22 C ATOM 1419 OXT ALA A 88 8.308 -36.185 -51.155 1.00 38.05 O ATOM 0 H ALA A 88 5.285 -35.382 -50.518 1.00 31.40 H new ATOM 0 HA ALA A 88 6.694 -37.755 -49.957 1.00 4.22 H new ATOM 0 HB1 ALA A 88 6.325 -39.025 -52.021 1.00 64.22 H new ATOM 0 HB2 ALA A 88 4.860 -38.969 -51.013 1.00 64.22 H new ATOM 0 HB3 ALA A 88 4.986 -37.938 -52.459 1.00 64.22 H new TER 1425 ALA A 88