USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 503 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 8 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 9 SER OG : rot 19:sc= 0.352 USER MOD Single : A 1 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=-0.017) USER MOD Single : A 1 HIS N :NH3+ -112:sc= 0.0134 (180deg=-0.0116) USER MOD Single : A 10 TYR OH : rot 13:sc= 1.3 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0572 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -133:sc= -10.7! (180deg=-16.4!) USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= -1.94! (180deg=-1.97!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 79:sc= -0.858 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0309 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 110:sc= -2.82 USER MOD Single : A 40 LYS NZ :NH3+ -145:sc= -0.219 (180deg=-1.61!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0377 USER MOD Single : A 55 GLN : amide:sc= -0.0771 K(o=-0.077,f=-1.3!) USER MOD Single : A 58 MET CE :methyl 178:sc= -0.162 (180deg=-0.181) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 12.543 -34.059 3.390 1.00 0.00 N ATOM 2 CA HIS A 1 12.058 -35.195 4.227 1.00 0.00 C ATOM 3 C HIS A 1 10.578 -35.467 3.944 1.00 0.00 C ATOM 4 O HIS A 1 9.806 -34.560 3.701 1.00 0.00 O ATOM 5 CB HIS A 1 12.252 -34.736 5.673 1.00 0.00 C ATOM 6 CG HIS A 1 13.701 -34.865 6.051 1.00 0.00 C ATOM 7 ND1 HIS A 1 14.294 -36.093 6.300 1.00 0.00 N ATOM 8 CD2 HIS A 1 14.690 -33.928 6.227 1.00 0.00 C ATOM 9 CE1 HIS A 1 15.584 -35.865 6.610 1.00 0.00 C ATOM 10 NE2 HIS A 1 15.878 -34.563 6.579 1.00 0.00 N ATOM 0 H1 HIS A 1 13.223 -34.412 2.687 1.00 0.00 H new ATOM 0 H2 HIS A 1 11.737 -33.618 2.902 1.00 0.00 H new ATOM 0 H3 HIS A 1 13.007 -33.354 3.997 1.00 0.00 H new ATOM 0 HA HIS A 1 12.596 -36.119 4.018 1.00 0.00 H new ATOM 0 HB2 HIS A 1 11.927 -33.701 5.784 1.00 0.00 H new ATOM 0 HB3 HIS A 1 11.636 -35.337 6.342 1.00 0.00 H new ATOM 0 HD2 HIS A 1 14.565 -32.862 6.110 1.00 0.00 H new ATOM 0 HE1 HIS A 1 16.295 -36.641 6.854 1.00 0.00 H new ATOM 0 HE2 HIS A 1 16.780 -34.127 6.772 1.00 0.00 H new ATOM 20 N PHE A 2 10.175 -36.708 3.974 1.00 0.00 N ATOM 21 CA PHE A 2 8.745 -37.034 3.707 1.00 0.00 C ATOM 22 C PHE A 2 7.877 -36.612 4.897 1.00 0.00 C ATOM 23 O PHE A 2 8.282 -36.717 6.038 1.00 0.00 O ATOM 24 CB PHE A 2 8.710 -38.552 3.528 1.00 0.00 C ATOM 25 CG PHE A 2 8.127 -38.884 2.175 1.00 0.00 C ATOM 26 CD1 PHE A 2 6.751 -38.751 1.955 1.00 0.00 C ATOM 27 CD2 PHE A 2 8.962 -39.325 1.142 1.00 0.00 C ATOM 28 CE1 PHE A 2 6.210 -39.059 0.701 1.00 0.00 C ATOM 29 CE2 PHE A 2 8.421 -39.634 -0.111 1.00 0.00 C ATOM 30 CZ PHE A 2 7.045 -39.499 -0.332 1.00 0.00 C ATOM 0 H PHE A 2 10.774 -37.510 4.172 1.00 0.00 H new ATOM 0 HA PHE A 2 8.359 -36.513 2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.716 -38.963 3.613 1.00 0.00 H new ATOM 0 HB3 PHE A 2 8.111 -39.009 4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.107 -38.411 2.752 1.00 0.00 H new ATOM 0 HD2 PHE A 2 10.024 -39.427 1.312 1.00 0.00 H new ATOM 0 HE1 PHE A 2 5.148 -38.957 0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 2 9.065 -39.977 -0.908 1.00 0.00 H new ATOM 0 HZ PHE A 2 6.628 -39.735 -1.300 1.00 0.00 H new ATOM 40 N ALA A 3 6.690 -36.135 4.640 1.00 0.00 N ATOM 41 CA ALA A 3 5.802 -35.707 5.759 1.00 0.00 C ATOM 42 C ALA A 3 4.458 -35.221 5.210 1.00 0.00 C ATOM 43 O ALA A 3 4.308 -34.984 4.028 1.00 0.00 O ATOM 44 CB ALA A 3 6.550 -34.559 6.439 1.00 0.00 C ATOM 0 H ALA A 3 6.297 -36.023 3.706 1.00 0.00 H new ATOM 0 HA ALA A 3 5.587 -36.521 6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.961 -34.186 7.277 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.513 -34.917 6.803 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.710 -33.754 5.722 1.00 0.00 H new ATOM 50 N ALA A 4 3.479 -35.073 6.060 1.00 0.00 N ATOM 51 CA ALA A 4 2.145 -34.604 5.587 1.00 0.00 C ATOM 52 C ALA A 4 1.516 -33.672 6.626 1.00 0.00 C ATOM 53 O ALA A 4 1.550 -33.934 7.811 1.00 0.00 O ATOM 54 CB ALA A 4 1.310 -35.876 5.433 1.00 0.00 C ATOM 0 H ALA A 4 3.545 -35.256 7.061 1.00 0.00 H new ATOM 0 HA ALA A 4 2.210 -34.044 4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.310 -35.615 5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.784 -36.537 4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.240 -36.384 6.395 1.00 0.00 H new ATOM 60 N ASP A 5 0.939 -32.585 6.189 1.00 0.00 N ATOM 61 CA ASP A 5 0.308 -31.639 7.152 1.00 0.00 C ATOM 62 C ASP A 5 -0.867 -30.915 6.488 1.00 0.00 C ATOM 63 O ASP A 5 -0.719 -29.837 5.947 1.00 0.00 O ATOM 64 CB ASP A 5 1.413 -30.645 7.513 1.00 0.00 C ATOM 65 CG ASP A 5 2.615 -31.403 8.080 1.00 0.00 C ATOM 66 OD1 ASP A 5 2.644 -31.614 9.282 1.00 0.00 O ATOM 67 OD2 ASP A 5 3.486 -31.760 7.304 1.00 0.00 O ATOM 0 H ASP A 5 0.878 -32.312 5.208 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.087 -32.147 8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.710 -30.079 6.630 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.045 -29.926 8.245 1.00 0.00 H new ATOM 72 N CYS A 6 -2.035 -31.496 6.528 1.00 0.00 N ATOM 73 CA CYS A 6 -3.217 -30.837 5.900 1.00 0.00 C ATOM 74 C CYS A 6 -3.923 -29.954 6.932 1.00 0.00 C ATOM 75 O CYS A 6 -3.758 -30.128 8.124 1.00 0.00 O ATOM 76 CB CYS A 6 -4.134 -31.981 5.455 1.00 0.00 C ATOM 77 SG CYS A 6 -3.156 -33.273 4.644 1.00 0.00 S ATOM 0 H CYS A 6 -2.222 -32.397 6.968 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.938 -30.199 5.061 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.658 -32.395 6.317 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.894 -31.604 4.771 1.00 0.00 H new ATOM 82 N CYS A 7 -4.704 -29.006 6.493 1.00 0.00 N ATOM 83 CA CYS A 7 -5.406 -28.120 7.462 1.00 0.00 C ATOM 84 C CYS A 7 -6.780 -28.692 7.817 1.00 0.00 C ATOM 85 O CYS A 7 -7.512 -29.159 6.968 1.00 0.00 O ATOM 86 CB CYS A 7 -5.561 -26.781 6.743 1.00 0.00 C ATOM 87 SG CYS A 7 -4.291 -25.630 7.324 1.00 0.00 S ATOM 0 H CYS A 7 -4.886 -28.807 5.509 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.852 -28.023 8.396 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.472 -26.923 5.666 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.553 -26.369 6.930 1.00 0.00 H new ATOM 92 N THR A 8 -7.135 -28.640 9.069 1.00 0.00 N ATOM 93 CA THR A 8 -8.465 -29.160 9.498 1.00 0.00 C ATOM 94 C THR A 8 -9.307 -28.009 10.056 1.00 0.00 C ATOM 95 O THR A 8 -10.434 -28.190 10.474 1.00 0.00 O ATOM 96 CB THR A 8 -8.159 -30.185 10.590 1.00 0.00 C ATOM 97 OG1 THR A 8 -7.632 -29.519 11.728 1.00 0.00 O ATOM 98 CG2 THR A 8 -7.136 -31.196 10.069 1.00 0.00 C ATOM 0 H THR A 8 -6.559 -28.258 9.819 1.00 0.00 H new ATOM 0 HA THR A 8 -9.027 -29.606 8.678 1.00 0.00 H new ATOM 0 HB THR A 8 -9.075 -30.707 10.867 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.437 -30.175 12.430 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.918 -31.927 10.848 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.541 -31.707 9.195 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.219 -30.676 9.792 1.00 0.00 H new ATOM 106 N SER A 9 -8.759 -26.825 10.061 1.00 0.00 N ATOM 107 CA SER A 9 -9.501 -25.643 10.583 1.00 0.00 C ATOM 108 C SER A 9 -8.660 -24.386 10.360 1.00 0.00 C ATOM 109 O SER A 9 -7.476 -24.369 10.633 1.00 0.00 O ATOM 110 CB SER A 9 -9.686 -25.914 12.077 1.00 0.00 C ATOM 111 OG SER A 9 -8.418 -25.940 12.715 1.00 0.00 O ATOM 0 H SER A 9 -7.818 -26.624 9.722 1.00 0.00 H new ATOM 0 HA SER A 9 -10.459 -25.490 10.086 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.313 -25.142 12.522 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.198 -26.865 12.224 1.00 0.00 H new ATOM 0 HG SER A 9 -7.757 -25.493 12.147 1.00 0.00 H new ATOM 117 N TYR A 10 -9.249 -23.339 9.855 1.00 0.00 N ATOM 118 CA TYR A 10 -8.460 -22.099 9.604 1.00 0.00 C ATOM 119 C TYR A 10 -8.483 -21.189 10.834 1.00 0.00 C ATOM 120 O TYR A 10 -9.341 -21.295 11.686 1.00 0.00 O ATOM 121 CB TYR A 10 -9.145 -21.434 8.412 1.00 0.00 C ATOM 122 CG TYR A 10 -9.173 -22.406 7.256 1.00 0.00 C ATOM 123 CD1 TYR A 10 -7.974 -22.815 6.657 1.00 0.00 C ATOM 124 CD2 TYR A 10 -10.394 -22.907 6.790 1.00 0.00 C ATOM 125 CE1 TYR A 10 -7.998 -23.726 5.594 1.00 0.00 C ATOM 126 CE2 TYR A 10 -10.417 -23.816 5.725 1.00 0.00 C ATOM 127 CZ TYR A 10 -9.219 -24.226 5.127 1.00 0.00 C ATOM 128 OH TYR A 10 -9.242 -25.124 4.080 1.00 0.00 O ATOM 0 H TYR A 10 -10.237 -23.287 9.606 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.410 -22.309 9.401 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.159 -21.136 8.678 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.611 -20.527 8.129 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.032 -22.428 7.015 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.318 -22.593 7.252 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.074 -24.043 5.134 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.359 -24.201 5.365 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.336 -25.461 3.918 1.00 0.00 H new ATOM 138 N ILE A 11 -7.532 -20.302 10.932 1.00 0.00 N ATOM 139 CA ILE A 11 -7.477 -19.386 12.106 1.00 0.00 C ATOM 140 C ILE A 11 -8.831 -18.702 12.306 1.00 0.00 C ATOM 141 O ILE A 11 -9.743 -18.866 11.520 1.00 0.00 O ATOM 142 CB ILE A 11 -6.394 -18.351 11.771 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.930 -17.366 10.727 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.144 -19.045 11.225 1.00 0.00 C ATOM 145 CD1 ILE A 11 -7.130 -18.087 9.393 1.00 0.00 C ATOM 0 H ILE A 11 -6.788 -20.172 10.247 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.249 -19.920 13.029 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.129 -17.813 12.681 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.874 -16.940 11.066 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.233 -16.538 10.603 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.385 -18.298 10.992 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.755 -19.736 11.973 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.400 -19.596 10.320 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.511 -17.384 8.653 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.177 -18.492 9.052 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.844 -18.900 9.522 1.00 0.00 H new ATOM 157 N SER A 12 -8.970 -17.938 13.355 1.00 0.00 N ATOM 158 CA SER A 12 -10.265 -17.248 13.607 1.00 0.00 C ATOM 159 C SER A 12 -10.150 -15.761 13.259 1.00 0.00 C ATOM 160 O SER A 12 -11.069 -14.994 13.467 1.00 0.00 O ATOM 161 CB SER A 12 -10.525 -17.432 15.102 1.00 0.00 C ATOM 162 OG SER A 12 -9.322 -17.810 15.754 1.00 0.00 O ATOM 0 H SER A 12 -8.242 -17.762 14.048 1.00 0.00 H new ATOM 0 HA SER A 12 -11.075 -17.652 12.999 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.907 -16.506 15.531 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.289 -18.194 15.257 1.00 0.00 H new ATOM 0 HG SER A 12 -9.492 -17.925 16.712 1.00 0.00 H new ATOM 168 N GLN A 13 -9.030 -15.347 12.732 1.00 0.00 N ATOM 169 CA GLN A 13 -8.862 -13.908 12.374 1.00 0.00 C ATOM 170 C GLN A 13 -7.744 -13.743 11.341 1.00 0.00 C ATOM 171 O GLN A 13 -7.160 -14.705 10.883 1.00 0.00 O ATOM 172 CB GLN A 13 -8.486 -13.218 13.685 1.00 0.00 C ATOM 173 CG GLN A 13 -7.165 -13.790 14.200 1.00 0.00 C ATOM 174 CD GLN A 13 -6.732 -13.023 15.451 1.00 0.00 C ATOM 175 OE1 GLN A 13 -7.495 -12.252 15.998 1.00 0.00 O ATOM 176 NE2 GLN A 13 -5.531 -13.202 15.929 1.00 0.00 N ATOM 0 H GLN A 13 -8.225 -15.941 12.534 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.764 -13.485 11.932 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.393 -12.143 13.529 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.272 -13.366 14.425 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.280 -14.849 14.431 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.398 -13.713 13.429 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.891 -13.849 15.470 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.233 -12.695 16.762 1.00 0.00 H new ATOM 185 N SER A 14 -7.443 -12.528 10.969 1.00 0.00 N ATOM 186 CA SER A 14 -6.364 -12.299 9.963 1.00 0.00 C ATOM 187 C SER A 14 -5.100 -13.072 10.352 1.00 0.00 C ATOM 188 O SER A 14 -4.737 -13.146 11.509 1.00 0.00 O ATOM 189 CB SER A 14 -6.107 -10.791 9.997 1.00 0.00 C ATOM 190 OG SER A 14 -5.628 -10.420 11.281 1.00 0.00 O ATOM 0 H SER A 14 -7.897 -11.684 11.318 1.00 0.00 H new ATOM 0 HA SER A 14 -6.647 -12.642 8.968 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.379 -10.518 9.233 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.025 -10.250 9.770 1.00 0.00 H new ATOM 0 HG SER A 14 -5.462 -9.454 11.302 1.00 0.00 H new ATOM 196 N ILE A 15 -4.429 -13.652 9.392 1.00 0.00 N ATOM 197 CA ILE A 15 -3.189 -14.425 9.705 1.00 0.00 C ATOM 198 C ILE A 15 -2.042 -13.476 10.065 1.00 0.00 C ATOM 199 O ILE A 15 -1.843 -12.466 9.419 1.00 0.00 O ATOM 200 CB ILE A 15 -2.854 -15.177 8.418 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.869 -16.304 8.198 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.440 -15.759 8.523 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.563 -17.469 9.142 1.00 0.00 C ATOM 0 H ILE A 15 -4.685 -13.624 8.405 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.333 -15.094 10.553 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.899 -14.491 7.572 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.879 -15.936 8.376 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.831 -16.643 7.163 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.199 -16.296 7.606 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.724 -14.951 8.669 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.391 -16.445 9.369 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.288 -18.267 8.981 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.559 -17.844 8.943 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.624 -17.126 10.175 1.00 0.00 H new ATOM 215 N PRO A 16 -1.314 -13.844 11.083 1.00 0.00 N ATOM 216 CA PRO A 16 -0.160 -13.033 11.533 1.00 0.00 C ATOM 217 C PRO A 16 1.048 -13.286 10.633 1.00 0.00 C ATOM 218 O PRO A 16 1.859 -14.144 10.902 1.00 0.00 O ATOM 219 CB PRO A 16 0.114 -13.552 12.939 1.00 0.00 C ATOM 220 CG PRO A 16 -0.414 -14.954 12.947 1.00 0.00 C ATOM 221 CD PRO A 16 -1.503 -15.042 11.907 1.00 0.00 C ATOM 0 HA PRO A 16 -0.354 -11.961 11.503 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.180 -13.531 13.166 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.384 -12.939 13.690 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.383 -15.664 12.726 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.805 -15.210 13.932 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.413 -15.952 11.313 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.491 -15.057 12.366 1.00 0.00 H new ATOM 229 N CYS A 17 1.177 -12.546 9.569 1.00 0.00 N ATOM 230 CA CYS A 17 2.348 -12.750 8.670 1.00 0.00 C ATOM 231 C CYS A 17 3.639 -12.483 9.447 1.00 0.00 C ATOM 232 O CYS A 17 4.664 -13.092 9.204 1.00 0.00 O ATOM 233 CB CYS A 17 2.188 -11.724 7.546 1.00 0.00 C ATOM 234 SG CYS A 17 0.566 -11.906 6.761 1.00 0.00 S ATOM 0 H CYS A 17 0.528 -11.813 9.283 1.00 0.00 H new ATOM 0 HA CYS A 17 2.396 -13.767 8.280 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.296 -10.716 7.946 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.976 -11.859 6.805 1.00 0.00 H new ATOM 239 N SER A 18 3.595 -11.573 10.382 1.00 0.00 N ATOM 240 CA SER A 18 4.819 -11.260 11.177 1.00 0.00 C ATOM 241 C SER A 18 5.154 -12.426 12.101 1.00 0.00 C ATOM 242 O SER A 18 6.260 -12.558 12.587 1.00 0.00 O ATOM 243 CB SER A 18 4.462 -10.015 11.991 1.00 0.00 C ATOM 244 OG SER A 18 5.430 -9.003 11.759 1.00 0.00 O ATOM 0 H SER A 18 2.766 -11.033 10.630 1.00 0.00 H new ATOM 0 HA SER A 18 5.690 -11.092 10.544 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.471 -9.656 11.711 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.424 -10.260 13.052 1.00 0.00 H new ATOM 0 HG SER A 18 5.200 -8.205 12.279 1.00 0.00 H new ATOM 250 N LEU A 19 4.197 -13.265 12.343 1.00 0.00 N ATOM 251 CA LEU A 19 4.426 -14.434 13.237 1.00 0.00 C ATOM 252 C LEU A 19 4.763 -15.683 12.416 1.00 0.00 C ATOM 253 O LEU A 19 4.596 -16.796 12.875 1.00 0.00 O ATOM 254 CB LEU A 19 3.100 -14.621 13.974 1.00 0.00 C ATOM 255 CG LEU A 19 3.302 -15.558 15.164 1.00 0.00 C ATOM 256 CD1 LEU A 19 3.920 -14.780 16.327 1.00 0.00 C ATOM 257 CD2 LEU A 19 1.950 -16.130 15.595 1.00 0.00 C ATOM 0 H LEU A 19 3.255 -13.195 11.958 1.00 0.00 H new ATOM 0 HA LEU A 19 5.261 -14.275 13.919 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.724 -13.657 14.317 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.351 -15.033 13.297 1.00 0.00 H new ATOM 0 HG LEU A 19 3.968 -16.372 14.878 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.064 -15.448 17.176 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.882 -14.370 16.020 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.254 -13.966 16.615 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.092 -16.799 16.444 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.285 -15.315 15.882 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.509 -16.684 14.767 1.00 0.00 H new ATOM 269 N MET A 20 5.237 -15.518 11.209 1.00 0.00 N ATOM 270 CA MET A 20 5.576 -16.715 10.384 1.00 0.00 C ATOM 271 C MET A 20 6.845 -16.464 9.570 1.00 0.00 C ATOM 272 O MET A 20 7.010 -15.426 8.959 1.00 0.00 O ATOM 273 CB MET A 20 4.396 -16.936 9.425 1.00 0.00 C ATOM 274 CG MET A 20 3.060 -16.592 10.094 1.00 0.00 C ATOM 275 SD MET A 20 2.493 -17.993 11.088 1.00 0.00 S ATOM 276 CE MET A 20 0.716 -17.686 10.920 1.00 0.00 C ATOM 0 H MET A 20 5.403 -14.616 10.762 1.00 0.00 H new ATOM 0 HA MET A 20 5.750 -17.582 11.021 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.528 -16.321 8.535 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.383 -17.975 9.095 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.175 -15.710 10.724 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.316 -16.347 9.336 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.241 -17.756 11.898 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.556 -16.689 10.509 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.280 -18.428 10.251 1.00 0.00 H new ATOM 286 N LYS A 21 7.734 -17.416 9.546 1.00 0.00 N ATOM 287 CA LYS A 21 8.986 -17.250 8.758 1.00 0.00 C ATOM 288 C LYS A 21 8.806 -17.858 7.364 1.00 0.00 C ATOM 289 O LYS A 21 9.497 -17.502 6.429 1.00 0.00 O ATOM 290 CB LYS A 21 10.062 -18.006 9.543 1.00 0.00 C ATOM 291 CG LYS A 21 9.573 -19.421 9.854 1.00 0.00 C ATOM 292 CD LYS A 21 10.720 -20.413 9.654 1.00 0.00 C ATOM 293 CE LYS A 21 10.433 -21.281 8.428 1.00 0.00 C ATOM 294 NZ LYS A 21 11.415 -20.827 7.402 1.00 0.00 N ATOM 0 H LYS A 21 7.647 -18.304 10.039 1.00 0.00 H new ATOM 0 HA LYS A 21 9.254 -16.202 8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.985 -18.049 8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.289 -17.478 10.469 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.207 -19.474 10.879 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.737 -19.679 9.204 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.660 -19.877 9.522 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.832 -21.040 10.539 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.559 -22.340 8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.408 -21.149 8.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.317 -21.410 6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.234 -19.831 7.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.380 -20.924 7.778 1.00 0.00 H new ATOM 308 N SER A 22 7.882 -18.771 7.213 1.00 0.00 N ATOM 309 CA SER A 22 7.666 -19.392 5.873 1.00 0.00 C ATOM 310 C SER A 22 6.216 -19.864 5.731 1.00 0.00 C ATOM 311 O SER A 22 5.421 -19.735 6.639 1.00 0.00 O ATOM 312 CB SER A 22 8.623 -20.583 5.830 1.00 0.00 C ATOM 313 OG SER A 22 8.859 -20.953 4.479 1.00 0.00 O ATOM 0 H SER A 22 7.271 -19.112 7.955 1.00 0.00 H new ATOM 0 HA SER A 22 7.850 -18.690 5.060 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.563 -20.325 6.317 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.199 -21.424 6.380 1.00 0.00 H new ATOM 0 HG SER A 22 9.474 -21.716 4.451 1.00 0.00 H new ATOM 319 N TYR A 23 5.866 -20.407 4.595 1.00 0.00 N ATOM 320 CA TYR A 23 4.468 -20.893 4.392 1.00 0.00 C ATOM 321 C TYR A 23 4.465 -22.075 3.415 1.00 0.00 C ATOM 322 O TYR A 23 5.312 -22.171 2.548 1.00 0.00 O ATOM 323 CB TYR A 23 3.711 -19.696 3.811 1.00 0.00 C ATOM 324 CG TYR A 23 4.058 -19.528 2.350 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.486 -20.375 1.392 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.950 -18.525 1.954 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.807 -20.220 0.038 1.00 0.00 C ATOM 328 CE2 TYR A 23 5.271 -18.368 0.600 1.00 0.00 C ATOM 329 CZ TYR A 23 4.699 -19.215 -0.358 1.00 0.00 C ATOM 330 OH TYR A 23 5.015 -19.061 -1.692 1.00 0.00 O ATOM 0 H TYR A 23 6.488 -20.535 3.797 1.00 0.00 H new ATOM 0 HA TYR A 23 4.008 -21.246 5.315 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.637 -19.844 3.924 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.967 -18.791 4.361 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.797 -21.148 1.698 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.391 -17.872 2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.367 -20.874 -0.700 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.959 -17.594 0.294 1.00 0.00 H new ATOM 0 HH TYR A 23 5.646 -18.318 -1.795 1.00 0.00 H new ATOM 340 N PHE A 24 3.521 -22.972 3.533 1.00 0.00 N ATOM 341 CA PHE A 24 3.487 -24.128 2.590 1.00 0.00 C ATOM 342 C PHE A 24 2.045 -24.583 2.354 1.00 0.00 C ATOM 343 O PHE A 24 1.223 -24.556 3.245 1.00 0.00 O ATOM 344 CB PHE A 24 4.315 -25.231 3.264 1.00 0.00 C ATOM 345 CG PHE A 24 3.488 -25.963 4.298 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.509 -26.882 3.895 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.711 -25.732 5.661 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.754 -27.566 4.855 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.957 -26.418 6.620 1.00 0.00 C ATOM 350 CZ PHE A 24 1.978 -27.335 6.217 1.00 0.00 C ATOM 0 H PHE A 24 2.780 -22.955 4.234 1.00 0.00 H new ATOM 0 HA PHE A 24 3.893 -23.871 1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.673 -25.935 2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.195 -24.795 3.737 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.337 -27.062 2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.465 -25.024 5.972 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.998 -28.272 4.544 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.130 -26.240 7.671 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.396 -27.864 6.957 1.00 0.00 H new ATOM 360 N GLU A 25 1.734 -24.996 1.158 1.00 0.00 N ATOM 361 CA GLU A 25 0.345 -25.448 0.862 1.00 0.00 C ATOM 362 C GLU A 25 0.214 -26.949 1.121 1.00 0.00 C ATOM 363 O GLU A 25 1.091 -27.724 0.797 1.00 0.00 O ATOM 364 CB GLU A 25 0.137 -25.137 -0.619 1.00 0.00 C ATOM 365 CG GLU A 25 0.278 -23.631 -0.846 1.00 0.00 C ATOM 366 CD GLU A 25 0.529 -23.359 -2.331 1.00 0.00 C ATOM 367 OE1 GLU A 25 1.607 -23.688 -2.798 1.00 0.00 O ATOM 368 OE2 GLU A 25 -0.359 -22.825 -2.973 1.00 0.00 O ATOM 0 H GLU A 25 2.382 -25.040 0.371 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.396 -24.953 1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.868 -25.677 -1.221 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.850 -25.473 -0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.626 -23.117 -0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.101 -23.238 -0.249 1.00 0.00 H new ATOM 375 N THR A 26 -0.876 -27.365 1.704 1.00 0.00 N ATOM 376 CA THR A 26 -1.062 -28.816 1.984 1.00 0.00 C ATOM 377 C THR A 26 -1.298 -29.580 0.679 1.00 0.00 C ATOM 378 O THR A 26 -1.471 -28.994 -0.371 1.00 0.00 O ATOM 379 CB THR A 26 -2.298 -28.891 2.882 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.444 -28.497 2.138 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.117 -27.956 4.078 1.00 0.00 C ATOM 0 H THR A 26 -1.645 -26.763 1.998 1.00 0.00 H new ATOM 0 HA THR A 26 -0.187 -29.261 2.458 1.00 0.00 H new ATOM 0 HB THR A 26 -2.429 -29.912 3.239 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.737 -29.240 1.571 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.998 -28.009 4.718 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.237 -28.258 4.646 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.987 -26.933 3.724 1.00 0.00 H new ATOM 389 N SER A 27 -1.305 -30.883 0.735 1.00 0.00 N ATOM 390 CA SER A 27 -1.529 -31.681 -0.505 1.00 0.00 C ATOM 391 C SER A 27 -3.017 -31.710 -0.858 1.00 0.00 C ATOM 392 O SER A 27 -3.871 -31.727 0.007 1.00 0.00 O ATOM 393 CB SER A 27 -1.037 -33.088 -0.164 1.00 0.00 C ATOM 394 OG SER A 27 0.332 -33.034 0.208 1.00 0.00 O ATOM 0 H SER A 27 -1.166 -31.430 1.584 1.00 0.00 H new ATOM 0 HA SER A 27 -1.007 -31.260 -1.364 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.630 -33.505 0.650 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.166 -33.748 -1.022 1.00 0.00 H new ATOM 0 HG SER A 27 0.647 -33.936 0.428 1.00 0.00 H new ATOM 400 N SER A 28 -3.337 -31.723 -2.123 1.00 0.00 N ATOM 401 CA SER A 28 -4.771 -31.761 -2.526 1.00 0.00 C ATOM 402 C SER A 28 -5.389 -33.105 -2.138 1.00 0.00 C ATOM 403 O SER A 28 -6.582 -33.308 -2.243 1.00 0.00 O ATOM 404 CB SER A 28 -4.762 -31.588 -4.046 1.00 0.00 C ATOM 405 OG SER A 28 -3.826 -30.581 -4.402 1.00 0.00 O ATOM 0 H SER A 28 -2.669 -31.709 -2.894 1.00 0.00 H new ATOM 0 HA SER A 28 -5.361 -30.987 -2.035 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.500 -32.530 -4.528 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.757 -31.315 -4.398 1.00 0.00 H new ATOM 0 HG SER A 28 -3.818 -30.471 -5.376 1.00 0.00 H new ATOM 411 N GLU A 29 -4.581 -34.024 -1.691 1.00 0.00 N ATOM 412 CA GLU A 29 -5.107 -35.361 -1.292 1.00 0.00 C ATOM 413 C GLU A 29 -5.853 -35.262 0.041 1.00 0.00 C ATOM 414 O GLU A 29 -6.659 -36.106 0.376 1.00 0.00 O ATOM 415 CB GLU A 29 -3.868 -36.244 -1.148 1.00 0.00 C ATOM 416 CG GLU A 29 -4.075 -37.546 -1.925 1.00 0.00 C ATOM 417 CD GLU A 29 -2.735 -38.270 -2.070 1.00 0.00 C ATOM 418 OE1 GLU A 29 -1.800 -37.888 -1.386 1.00 0.00 O ATOM 419 OE2 GLU A 29 -2.667 -39.195 -2.863 1.00 0.00 O ATOM 0 H GLU A 29 -3.573 -33.907 -1.584 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.813 -35.761 -2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.989 -35.720 -1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.684 -36.461 -0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.791 -38.183 -1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.494 -37.333 -2.908 1.00 0.00 H new ATOM 426 N CYS A 30 -5.586 -34.240 0.808 1.00 0.00 N ATOM 427 CA CYS A 30 -6.272 -34.090 2.115 1.00 0.00 C ATOM 428 C CYS A 30 -7.746 -33.734 1.904 1.00 0.00 C ATOM 429 O CYS A 30 -8.095 -33.015 0.989 1.00 0.00 O ATOM 430 CB CYS A 30 -5.536 -32.940 2.796 1.00 0.00 C ATOM 431 SG CYS A 30 -3.749 -33.219 2.712 1.00 0.00 S ATOM 0 H CYS A 30 -4.919 -33.502 0.581 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.253 -35.005 2.707 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.789 -31.997 2.312 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -5.852 -32.859 3.836 1.00 0.00 H new ATOM 436 N SER A 31 -8.614 -34.230 2.744 1.00 0.00 N ATOM 437 CA SER A 31 -10.063 -33.916 2.589 1.00 0.00 C ATOM 438 C SER A 31 -10.290 -32.409 2.713 1.00 0.00 C ATOM 439 O SER A 31 -11.340 -31.896 2.382 1.00 0.00 O ATOM 440 CB SER A 31 -10.758 -34.663 3.728 1.00 0.00 C ATOM 441 OG SER A 31 -11.197 -35.932 3.263 1.00 0.00 O ATOM 0 H SER A 31 -8.383 -34.838 3.530 1.00 0.00 H new ATOM 0 HA SER A 31 -10.450 -34.216 1.615 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.073 -34.788 4.567 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.606 -34.084 4.093 1.00 0.00 H new ATOM 0 HG SER A 31 -11.641 -36.412 3.993 1.00 0.00 H new ATOM 447 N LYS A 32 -9.307 -31.700 3.183 1.00 0.00 N ATOM 448 CA LYS A 32 -9.445 -30.223 3.331 1.00 0.00 C ATOM 449 C LYS A 32 -8.073 -29.557 3.200 1.00 0.00 C ATOM 450 O LYS A 32 -7.287 -29.565 4.128 1.00 0.00 O ATOM 451 CB LYS A 32 -10.018 -30.014 4.733 1.00 0.00 C ATOM 452 CG LYS A 32 -11.279 -29.152 4.645 1.00 0.00 C ATOM 453 CD LYS A 32 -11.920 -29.039 6.031 1.00 0.00 C ATOM 454 CE LYS A 32 -12.437 -30.412 6.466 1.00 0.00 C ATOM 455 NZ LYS A 32 -13.257 -30.141 7.681 1.00 0.00 N ATOM 0 H LYS A 32 -8.406 -32.080 3.474 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.087 -29.785 2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.253 -30.976 5.189 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.278 -29.531 5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.029 -28.161 4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.985 -29.593 3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.191 -28.668 6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.739 -28.321 6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.034 -30.877 5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.615 -31.093 6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.649 -31.034 8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.660 -29.704 8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.035 -29.495 7.438 1.00 0.00 H new ATOM 469 N PRO A 33 -7.830 -29.007 2.041 1.00 0.00 N ATOM 470 CA PRO A 33 -6.536 -28.334 1.771 1.00 0.00 C ATOM 471 C PRO A 33 -6.453 -26.997 2.513 1.00 0.00 C ATOM 472 O PRO A 33 -7.312 -26.659 3.304 1.00 0.00 O ATOM 473 CB PRO A 33 -6.556 -28.114 0.262 1.00 0.00 C ATOM 474 CG PRO A 33 -8.006 -28.088 -0.107 1.00 0.00 C ATOM 475 CD PRO A 33 -8.731 -28.961 0.884 1.00 0.00 C ATOM 0 HA PRO A 33 -5.677 -28.916 2.105 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.064 -27.180 -0.007 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.030 -28.913 -0.260 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.393 -27.069 -0.078 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.152 -28.455 -1.123 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.701 -28.542 1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.914 -29.957 0.480 1.00 0.00 H new ATOM 483 N GLY A 34 -5.421 -26.239 2.264 1.00 0.00 N ATOM 484 CA GLY A 34 -5.274 -24.924 2.952 1.00 0.00 C ATOM 485 C GLY A 34 -3.790 -24.564 3.042 1.00 0.00 C ATOM 486 O GLY A 34 -2.927 -25.396 2.846 1.00 0.00 O ATOM 0 H GLY A 34 -4.672 -26.473 1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.815 -24.152 2.405 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.710 -24.972 3.950 1.00 0.00 H new ATOM 490 N VAL A 35 -3.483 -23.331 3.339 1.00 0.00 N ATOM 491 CA VAL A 35 -2.052 -22.924 3.443 1.00 0.00 C ATOM 492 C VAL A 35 -1.639 -22.835 4.912 1.00 0.00 C ATOM 493 O VAL A 35 -2.192 -22.069 5.676 1.00 0.00 O ATOM 494 CB VAL A 35 -1.982 -21.546 2.786 1.00 0.00 C ATOM 495 CG1 VAL A 35 -0.649 -20.881 3.138 1.00 0.00 C ATOM 496 CG2 VAL A 35 -2.091 -21.696 1.267 1.00 0.00 C ATOM 0 H VAL A 35 -4.160 -22.588 3.514 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.383 -23.638 2.963 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.804 -20.929 3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.598 -19.898 2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.571 -20.772 4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.173 -21.499 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.041 -20.713 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.270 -22.313 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.040 -22.169 1.015 1.00 0.00 H new ATOM 506 N ILE A 36 -0.669 -23.609 5.316 1.00 0.00 N ATOM 507 CA ILE A 36 -0.226 -23.559 6.736 1.00 0.00 C ATOM 508 C ILE A 36 1.060 -22.740 6.846 1.00 0.00 C ATOM 509 O ILE A 36 2.030 -22.996 6.163 1.00 0.00 O ATOM 510 CB ILE A 36 0.025 -25.017 7.135 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.313 -25.697 7.443 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.924 -25.065 8.377 1.00 0.00 C ATOM 513 CD1 ILE A 36 -1.064 -27.009 8.192 1.00 0.00 C ATOM 0 H ILE A 36 -0.166 -24.271 4.726 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.965 -23.090 7.385 1.00 0.00 H new ATOM 0 HB ILE A 36 0.518 -25.538 6.314 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.938 -25.037 8.044 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.854 -25.892 6.517 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.101 -26.103 8.658 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.876 -24.582 8.156 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.435 -24.544 9.200 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.017 -27.490 8.410 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.456 -27.671 7.575 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.541 -26.801 9.125 1.00 0.00 H new ATOM 525 N PHE A 37 1.078 -21.759 7.702 1.00 0.00 N ATOM 526 CA PHE A 37 2.308 -20.936 7.848 1.00 0.00 C ATOM 527 C PHE A 37 3.194 -21.516 8.951 1.00 0.00 C ATOM 528 O PHE A 37 2.722 -21.895 10.004 1.00 0.00 O ATOM 529 CB PHE A 37 1.817 -19.540 8.240 1.00 0.00 C ATOM 530 CG PHE A 37 1.162 -18.877 7.052 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.203 -19.069 6.808 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.919 -18.070 6.193 1.00 0.00 C ATOM 533 CE1 PHE A 37 -0.811 -18.454 5.707 1.00 0.00 C ATOM 534 CE2 PHE A 37 1.312 -17.457 5.092 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.053 -17.648 4.848 1.00 0.00 C ATOM 0 H PHE A 37 0.299 -21.492 8.304 1.00 0.00 H new ATOM 0 HA PHE A 37 2.900 -20.914 6.933 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.108 -19.612 9.065 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.653 -18.935 8.590 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.787 -19.692 7.469 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.972 -17.921 6.381 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.864 -18.601 5.520 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.897 -16.836 4.430 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.521 -17.174 3.998 1.00 0.00 H new ATOM 545 N LEU A 38 4.475 -21.582 8.722 1.00 0.00 N ATOM 546 CA LEU A 38 5.386 -22.128 9.761 1.00 0.00 C ATOM 547 C LEU A 38 5.999 -20.971 10.544 1.00 0.00 C ATOM 548 O LEU A 38 6.606 -20.080 9.979 1.00 0.00 O ATOM 549 CB LEU A 38 6.465 -22.891 8.991 1.00 0.00 C ATOM 550 CG LEU A 38 7.041 -23.996 9.878 1.00 0.00 C ATOM 551 CD1 LEU A 38 5.949 -25.024 10.185 1.00 0.00 C ATOM 552 CD2 LEU A 38 8.200 -24.683 9.155 1.00 0.00 C ATOM 0 H LEU A 38 4.929 -21.281 7.860 1.00 0.00 H new ATOM 0 HA LEU A 38 4.875 -22.776 10.473 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.043 -23.322 8.083 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.257 -22.209 8.682 1.00 0.00 H new ATOM 0 HG LEU A 38 7.404 -23.561 10.809 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.358 -25.812 10.817 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.124 -24.535 10.703 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.586 -25.458 9.254 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.609 -25.470 9.789 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.840 -25.118 8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.978 -23.951 8.938 1.00 0.00 H new ATOM 564 N THR A 39 5.824 -20.962 11.837 1.00 0.00 N ATOM 565 CA THR A 39 6.377 -19.846 12.656 1.00 0.00 C ATOM 566 C THR A 39 7.794 -20.169 13.121 1.00 0.00 C ATOM 567 O THR A 39 8.141 -21.308 13.362 1.00 0.00 O ATOM 568 CB THR A 39 5.441 -19.727 13.860 1.00 0.00 C ATOM 569 OG1 THR A 39 5.742 -20.753 14.795 1.00 0.00 O ATOM 570 CG2 THR A 39 3.988 -19.861 13.402 1.00 0.00 C ATOM 0 H THR A 39 5.322 -21.679 12.362 1.00 0.00 H new ATOM 0 HA THR A 39 6.434 -18.919 12.086 1.00 0.00 H new ATOM 0 HB THR A 39 5.579 -18.753 14.330 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.155 -20.359 15.592 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.326 -19.776 14.263 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.757 -19.071 12.687 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.844 -20.832 12.928 1.00 0.00 H new ATOM 578 N LYS A 40 8.613 -19.165 13.252 1.00 0.00 N ATOM 579 CA LYS A 40 10.013 -19.397 13.707 1.00 0.00 C ATOM 580 C LYS A 40 10.019 -19.927 15.145 1.00 0.00 C ATOM 581 O LYS A 40 10.902 -20.661 15.541 1.00 0.00 O ATOM 582 CB LYS A 40 10.679 -18.022 13.641 1.00 0.00 C ATOM 583 CG LYS A 40 12.089 -18.109 14.226 1.00 0.00 C ATOM 584 CD LYS A 40 13.062 -18.575 13.142 1.00 0.00 C ATOM 585 CE LYS A 40 14.490 -18.191 13.538 1.00 0.00 C ATOM 586 NZ LYS A 40 14.508 -16.702 13.508 1.00 0.00 N ATOM 0 H LYS A 40 8.374 -18.191 13.064 1.00 0.00 H new ATOM 0 HA LYS A 40 10.533 -20.134 13.094 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.723 -17.677 12.608 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.088 -17.293 14.196 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.395 -17.136 14.611 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.104 -18.803 15.066 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.987 -19.655 13.011 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.803 -18.119 12.186 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.741 -18.569 14.529 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.219 -18.609 12.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.438 -16.373 13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.770 -16.359 12.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.328 -16.333 14.464 1.00 0.00 H new ATOM 600 N LYS A 41 9.041 -19.557 15.928 1.00 0.00 N ATOM 601 CA LYS A 41 8.993 -20.038 17.340 1.00 0.00 C ATOM 602 C LYS A 41 8.673 -21.534 17.385 1.00 0.00 C ATOM 603 O LYS A 41 8.701 -22.155 18.428 1.00 0.00 O ATOM 604 CB LYS A 41 7.871 -19.232 17.994 1.00 0.00 C ATOM 605 CG LYS A 41 8.380 -18.608 19.295 1.00 0.00 C ATOM 606 CD LYS A 41 8.406 -17.085 19.151 1.00 0.00 C ATOM 607 CE LYS A 41 7.784 -16.446 20.394 1.00 0.00 C ATOM 608 NZ LYS A 41 8.387 -15.084 20.467 1.00 0.00 N ATOM 0 H LYS A 41 8.274 -18.944 15.652 1.00 0.00 H new ATOM 0 HA LYS A 41 9.946 -19.904 17.851 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.526 -18.452 17.315 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.017 -19.878 18.198 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.735 -18.895 20.126 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.379 -18.980 19.523 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.432 -16.738 19.025 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.856 -16.784 18.260 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.698 -16.394 20.310 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.007 -17.025 21.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.010 -14.581 21.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.420 -15.166 20.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.152 -14.554 19.604 1.00 0.00 H new ATOM 622 N GLY A 42 8.367 -22.112 16.260 1.00 0.00 N ATOM 623 CA GLY A 42 8.044 -23.566 16.231 1.00 0.00 C ATOM 624 C GLY A 42 6.529 -23.754 16.354 1.00 0.00 C ATOM 625 O GLY A 42 6.039 -24.315 17.314 1.00 0.00 O ATOM 0 H GLY A 42 8.326 -21.641 15.356 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.402 -24.011 15.303 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.553 -24.079 17.047 1.00 0.00 H new ATOM 629 N ARG A 43 5.784 -23.288 15.389 1.00 0.00 N ATOM 630 CA ARG A 43 4.302 -23.438 15.449 1.00 0.00 C ATOM 631 C ARG A 43 3.726 -23.533 14.033 1.00 0.00 C ATOM 632 O ARG A 43 4.438 -23.416 13.056 1.00 0.00 O ATOM 633 CB ARG A 43 3.807 -22.170 16.143 1.00 0.00 C ATOM 634 CG ARG A 43 2.848 -22.546 17.274 1.00 0.00 C ATOM 635 CD ARG A 43 2.863 -21.447 18.338 1.00 0.00 C ATOM 636 NE ARG A 43 4.074 -21.727 19.159 1.00 0.00 N ATOM 637 CZ ARG A 43 3.952 -22.014 20.426 1.00 0.00 C ATOM 638 NH1 ARG A 43 3.634 -21.079 21.279 1.00 0.00 N ATOM 639 NH2 ARG A 43 4.147 -23.236 20.840 1.00 0.00 N ATOM 0 H ARG A 43 6.138 -22.809 14.561 1.00 0.00 H new ATOM 0 HA ARG A 43 3.997 -24.340 15.979 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.652 -21.607 16.541 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.303 -21.523 15.425 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.839 -22.675 16.883 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.143 -23.498 17.715 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.914 -20.458 17.884 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.959 -21.473 18.946 1.00 0.00 H new ATOM 0 HE ARG A 43 4.999 -21.694 18.731 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.481 -20.124 20.955 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.539 -21.303 22.269 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.395 -23.967 20.173 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.052 -23.460 21.830 1.00 0.00 H new ATOM 653 N GLN A 44 2.443 -23.739 13.913 1.00 0.00 N ATOM 654 CA GLN A 44 1.834 -23.832 12.556 1.00 0.00 C ATOM 655 C GLN A 44 0.415 -23.260 12.566 1.00 0.00 C ATOM 656 O GLN A 44 -0.391 -23.579 13.418 1.00 0.00 O ATOM 657 CB GLN A 44 1.801 -25.323 12.226 1.00 0.00 C ATOM 658 CG GLN A 44 1.072 -26.077 13.340 1.00 0.00 C ATOM 659 CD GLN A 44 1.518 -27.541 13.343 1.00 0.00 C ATOM 660 OE1 GLN A 44 2.244 -27.965 14.221 1.00 0.00 O ATOM 661 NE2 GLN A 44 1.112 -28.337 12.392 1.00 0.00 N ATOM 0 H GLN A 44 1.793 -23.846 14.692 1.00 0.00 H new ATOM 0 HA GLN A 44 2.402 -23.264 11.819 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.297 -25.484 11.273 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.816 -25.705 12.118 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.287 -25.618 14.305 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.006 -26.015 13.191 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.503 -27.982 11.655 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.404 -29.314 12.386 1.00 0.00 H new ATOM 670 N VAL A 45 0.103 -22.428 11.613 1.00 0.00 N ATOM 671 CA VAL A 45 -1.264 -21.841 11.547 1.00 0.00 C ATOM 672 C VAL A 45 -1.988 -22.383 10.317 1.00 0.00 C ATOM 673 O VAL A 45 -1.368 -22.774 9.350 1.00 0.00 O ATOM 674 CB VAL A 45 -1.043 -20.334 11.421 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.348 -19.660 11.000 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.591 -19.771 12.769 1.00 0.00 C ATOM 0 H VAL A 45 0.738 -22.128 10.874 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.872 -22.086 12.418 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.276 -20.141 10.670 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.190 -18.585 10.910 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.671 -20.061 10.039 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.115 -19.853 11.750 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.433 -18.696 12.680 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.358 -19.964 13.519 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.340 -20.251 13.070 1.00 0.00 H new ATOM 686 N CYS A 46 -3.292 -22.416 10.336 1.00 0.00 N ATOM 687 CA CYS A 46 -4.031 -22.942 9.151 1.00 0.00 C ATOM 688 C CYS A 46 -4.746 -21.802 8.431 1.00 0.00 C ATOM 689 O CYS A 46 -5.372 -20.973 9.048 1.00 0.00 O ATOM 690 CB CYS A 46 -5.043 -23.938 9.717 1.00 0.00 C ATOM 691 SG CYS A 46 -4.510 -25.624 9.333 1.00 0.00 S ATOM 0 H CYS A 46 -3.875 -22.105 11.113 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.366 -23.411 8.426 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.131 -23.810 10.796 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.029 -23.751 9.292 1.00 0.00 H new ATOM 696 N ALA A 47 -4.663 -21.746 7.134 1.00 0.00 N ATOM 697 CA ALA A 47 -5.350 -20.642 6.408 1.00 0.00 C ATOM 698 C ALA A 47 -6.138 -21.186 5.215 1.00 0.00 C ATOM 699 O ALA A 47 -5.850 -22.246 4.695 1.00 0.00 O ATOM 700 CB ALA A 47 -4.230 -19.717 5.938 1.00 0.00 C ATOM 0 H ALA A 47 -4.155 -22.409 6.548 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.068 -20.123 7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.658 -18.876 5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.678 -19.346 6.802 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.554 -20.267 5.284 1.00 0.00 H new ATOM 706 N LYS A 48 -7.131 -20.463 4.780 1.00 0.00 N ATOM 707 CA LYS A 48 -7.945 -20.922 3.619 1.00 0.00 C ATOM 708 C LYS A 48 -7.132 -20.791 2.327 1.00 0.00 C ATOM 709 O LYS A 48 -5.997 -20.358 2.352 1.00 0.00 O ATOM 710 CB LYS A 48 -9.151 -19.982 3.593 1.00 0.00 C ATOM 711 CG LYS A 48 -10.413 -20.758 3.974 1.00 0.00 C ATOM 712 CD LYS A 48 -11.283 -19.896 4.891 1.00 0.00 C ATOM 713 CE LYS A 48 -12.709 -19.842 4.341 1.00 0.00 C ATOM 714 NZ LYS A 48 -13.559 -20.407 5.427 1.00 0.00 N ATOM 0 H LYS A 48 -7.416 -19.569 5.180 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.244 -21.967 3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.996 -19.156 4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.265 -19.547 2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.970 -21.031 3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.144 -21.687 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.287 -20.309 5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.870 -18.889 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.002 -18.820 4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.801 -20.424 3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.554 -20.404 5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.261 -21.383 5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.455 -19.829 6.285 1.00 0.00 H new ATOM 728 N PRO A 49 -7.745 -21.165 1.236 1.00 0.00 N ATOM 729 CA PRO A 49 -7.067 -21.079 -0.081 1.00 0.00 C ATOM 730 C PRO A 49 -6.912 -19.615 -0.501 1.00 0.00 C ATOM 731 O PRO A 49 -5.951 -19.242 -1.145 1.00 0.00 O ATOM 732 CB PRO A 49 -8.013 -21.823 -1.019 1.00 0.00 C ATOM 733 CG PRO A 49 -9.355 -21.734 -0.363 1.00 0.00 C ATOM 734 CD PRO A 49 -9.110 -21.693 1.123 1.00 0.00 C ATOM 0 HA PRO A 49 -6.062 -21.502 -0.079 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.026 -21.368 -2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.705 -22.860 -1.149 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.888 -20.842 -0.692 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.973 -22.591 -0.630 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.831 -21.052 1.630 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.195 -22.683 1.570 1.00 0.00 H new ATOM 742 N SER A 50 -7.848 -18.784 -0.133 1.00 0.00 N ATOM 743 CA SER A 50 -7.755 -17.342 -0.502 1.00 0.00 C ATOM 744 C SER A 50 -8.171 -16.470 0.685 1.00 0.00 C ATOM 745 O SER A 50 -8.860 -15.480 0.530 1.00 0.00 O ATOM 746 CB SER A 50 -8.729 -17.165 -1.666 1.00 0.00 C ATOM 747 OG SER A 50 -8.849 -18.391 -2.374 1.00 0.00 O ATOM 0 H SER A 50 -8.674 -19.041 0.408 1.00 0.00 H new ATOM 0 HA SER A 50 -6.741 -17.048 -0.775 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.704 -16.851 -1.294 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.375 -16.380 -2.334 1.00 0.00 H new ATOM 0 HG SER A 50 -9.475 -18.278 -3.120 1.00 0.00 H new ATOM 753 N GLY A 51 -7.761 -16.831 1.871 1.00 0.00 N ATOM 754 CA GLY A 51 -8.134 -16.024 3.067 1.00 0.00 C ATOM 755 C GLY A 51 -7.680 -14.577 2.873 1.00 0.00 C ATOM 756 O GLY A 51 -6.668 -14.319 2.250 1.00 0.00 O ATOM 0 H GLY A 51 -7.184 -17.650 2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.213 -16.060 3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.671 -16.444 3.960 1.00 0.00 H new ATOM 760 N PRO A 52 -8.450 -13.675 3.418 1.00 0.00 N ATOM 761 CA PRO A 52 -8.130 -12.231 3.311 1.00 0.00 C ATOM 762 C PRO A 52 -6.905 -11.893 4.163 1.00 0.00 C ATOM 763 O PRO A 52 -7.022 -11.425 5.279 1.00 0.00 O ATOM 764 CB PRO A 52 -9.381 -11.545 3.851 1.00 0.00 C ATOM 765 CG PRO A 52 -10.017 -12.558 4.749 1.00 0.00 C ATOM 766 CD PRO A 52 -9.680 -13.913 4.183 1.00 0.00 C ATOM 0 HA PRO A 52 -7.887 -11.918 2.296 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.129 -10.636 4.397 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.053 -11.256 3.043 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.643 -12.461 5.768 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.097 -12.414 4.791 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.525 -14.649 4.972 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.480 -14.291 3.547 1.00 0.00 H new ATOM 774 N GLY A 53 -5.731 -12.130 3.648 1.00 0.00 N ATOM 775 CA GLY A 53 -4.498 -11.830 4.425 1.00 0.00 C ATOM 776 C GLY A 53 -3.507 -12.983 4.260 1.00 0.00 C ATOM 777 O GLY A 53 -2.313 -12.818 4.412 1.00 0.00 O ATOM 0 H GLY A 53 -5.573 -12.520 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.052 -10.898 4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.742 -11.692 5.478 1.00 0.00 H new ATOM 781 N VAL A 54 -3.994 -14.153 3.942 1.00 0.00 N ATOM 782 CA VAL A 54 -3.079 -15.316 3.762 1.00 0.00 C ATOM 783 C VAL A 54 -2.086 -15.019 2.645 1.00 0.00 C ATOM 784 O VAL A 54 -0.911 -15.309 2.751 1.00 0.00 O ATOM 785 CB VAL A 54 -3.987 -16.484 3.378 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.143 -17.619 2.795 1.00 0.00 C ATOM 787 CG2 VAL A 54 -4.729 -16.983 4.619 1.00 0.00 C ATOM 0 H VAL A 54 -4.984 -14.353 3.799 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.501 -15.535 4.660 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.710 -16.152 2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.792 -18.451 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.617 -17.263 1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.419 -17.952 3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.377 -17.816 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.007 -17.315 5.366 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.333 -16.175 5.032 1.00 0.00 H new ATOM 797 N GLN A 55 -2.542 -14.425 1.580 1.00 0.00 N ATOM 798 CA GLN A 55 -1.608 -14.096 0.471 1.00 0.00 C ATOM 799 C GLN A 55 -0.650 -13.011 0.947 1.00 0.00 C ATOM 800 O GLN A 55 0.444 -12.866 0.442 1.00 0.00 O ATOM 801 CB GLN A 55 -2.493 -13.585 -0.667 1.00 0.00 C ATOM 802 CG GLN A 55 -2.237 -14.417 -1.924 1.00 0.00 C ATOM 803 CD GLN A 55 -2.918 -15.780 -1.781 1.00 0.00 C ATOM 804 OE1 GLN A 55 -3.989 -15.880 -1.217 1.00 0.00 O ATOM 805 NE2 GLN A 55 -2.339 -16.841 -2.274 1.00 0.00 N ATOM 0 H GLN A 55 -3.514 -14.155 1.430 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.011 -14.948 0.146 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.543 -13.650 -0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.280 -12.534 -0.864 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.621 -13.897 -2.802 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.165 -14.548 -2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.440 -16.757 -2.748 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.786 -17.754 -2.185 1.00 0.00 H new ATOM 814 N ASP A 56 -1.050 -12.262 1.938 1.00 0.00 N ATOM 815 CA ASP A 56 -0.160 -11.202 2.477 1.00 0.00 C ATOM 816 C ASP A 56 1.013 -11.856 3.205 1.00 0.00 C ATOM 817 O ASP A 56 2.150 -11.451 3.064 1.00 0.00 O ATOM 818 CB ASP A 56 -1.026 -10.402 3.449 1.00 0.00 C ATOM 819 CG ASP A 56 -0.399 -9.025 3.674 1.00 0.00 C ATOM 820 OD1 ASP A 56 -0.564 -8.174 2.815 1.00 0.00 O ATOM 821 OD2 ASP A 56 0.235 -8.844 4.700 1.00 0.00 O ATOM 0 H ASP A 56 -1.958 -12.341 2.397 1.00 0.00 H new ATOM 0 HA ASP A 56 0.253 -10.560 1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.035 -10.294 3.050 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.114 -10.933 4.397 1.00 0.00 H new ATOM 826 N CYS A 57 0.747 -12.880 3.975 1.00 0.00 N ATOM 827 CA CYS A 57 1.853 -13.567 4.694 1.00 0.00 C ATOM 828 C CYS A 57 2.795 -14.203 3.673 1.00 0.00 C ATOM 829 O CYS A 57 4.002 -14.116 3.782 1.00 0.00 O ATOM 830 CB CYS A 57 1.179 -14.645 5.542 1.00 0.00 C ATOM 831 SG CYS A 57 0.177 -13.888 6.853 1.00 0.00 S ATOM 0 H CYS A 57 -0.184 -13.266 4.134 1.00 0.00 H new ATOM 0 HA CYS A 57 2.440 -12.886 5.310 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.549 -15.272 4.911 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.935 -15.295 5.983 1.00 0.00 H new ATOM 836 N MET A 58 2.247 -14.838 2.671 1.00 0.00 N ATOM 837 CA MET A 58 3.109 -15.472 1.638 1.00 0.00 C ATOM 838 C MET A 58 3.775 -14.391 0.783 1.00 0.00 C ATOM 839 O MET A 58 4.811 -14.608 0.187 1.00 0.00 O ATOM 840 CB MET A 58 2.167 -16.317 0.786 1.00 0.00 C ATOM 841 CG MET A 58 1.324 -17.225 1.688 1.00 0.00 C ATOM 842 SD MET A 58 -0.273 -17.545 0.895 1.00 0.00 S ATOM 843 CE MET A 58 0.198 -19.067 0.038 1.00 0.00 C ATOM 0 H MET A 58 1.243 -14.944 2.526 1.00 0.00 H new ATOM 0 HA MET A 58 3.903 -16.075 2.078 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.517 -15.671 0.196 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.741 -16.920 0.082 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.847 -18.164 1.869 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.172 -16.753 2.659 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.664 -19.465 -0.497 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.998 -18.853 -0.671 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.545 -19.802 0.765 1.00 0.00 H new ATOM 853 N LYS A 59 3.190 -13.224 0.725 1.00 0.00 N ATOM 854 CA LYS A 59 3.796 -12.133 -0.085 1.00 0.00 C ATOM 855 C LYS A 59 5.129 -11.732 0.541 1.00 0.00 C ATOM 856 O LYS A 59 6.139 -11.635 -0.126 1.00 0.00 O ATOM 857 CB LYS A 59 2.793 -10.980 -0.017 1.00 0.00 C ATOM 858 CG LYS A 59 2.407 -10.557 -1.436 1.00 0.00 C ATOM 859 CD LYS A 59 0.921 -10.196 -1.475 1.00 0.00 C ATOM 860 CE LYS A 59 0.587 -9.553 -2.822 1.00 0.00 C ATOM 861 NZ LYS A 59 -0.323 -10.522 -3.495 1.00 0.00 N ATOM 0 H LYS A 59 2.322 -12.982 1.202 1.00 0.00 H new ATOM 0 HA LYS A 59 3.992 -12.425 -1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.906 -11.288 0.537 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.227 -10.137 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.008 -9.703 -1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.614 -11.366 -2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.315 -11.090 -1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.681 -9.510 -0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.104 -8.585 -2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.487 -9.382 -3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.597 -10.151 -4.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.166 -11.432 -3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.174 -10.660 -2.914 1.00 0.00 H new ATOM 875 N LYS A 60 5.139 -11.520 1.828 1.00 0.00 N ATOM 876 CA LYS A 60 6.407 -11.150 2.507 1.00 0.00 C ATOM 877 C LYS A 60 7.358 -12.349 2.488 1.00 0.00 C ATOM 878 O LYS A 60 8.564 -12.199 2.466 1.00 0.00 O ATOM 879 CB LYS A 60 6.005 -10.805 3.941 1.00 0.00 C ATOM 880 CG LYS A 60 6.500 -9.399 4.286 1.00 0.00 C ATOM 881 CD LYS A 60 5.952 -8.402 3.264 1.00 0.00 C ATOM 882 CE LYS A 60 5.595 -7.093 3.970 1.00 0.00 C ATOM 883 NZ LYS A 60 4.605 -6.433 3.072 1.00 0.00 N ATOM 0 H LYS A 60 4.323 -11.588 2.436 1.00 0.00 H new ATOM 0 HA LYS A 60 6.918 -10.317 2.024 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.922 -10.857 4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.430 -11.532 4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.175 -9.123 5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.590 -9.375 4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.693 -8.218 2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.071 -8.815 2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.171 -7.279 4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.476 -6.468 4.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.310 -5.526 3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.039 -6.263 2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.774 -7.049 2.959 1.00 0.00 H new ATOM 897 N LEU A 61 6.820 -13.541 2.490 1.00 0.00 N ATOM 898 CA LEU A 61 7.686 -14.752 2.466 1.00 0.00 C ATOM 899 C LEU A 61 8.220 -14.988 1.051 1.00 0.00 C ATOM 900 O LEU A 61 8.934 -15.937 0.796 1.00 0.00 O ATOM 901 CB LEU A 61 6.769 -15.896 2.904 1.00 0.00 C ATOM 902 CG LEU A 61 6.943 -16.169 4.406 1.00 0.00 C ATOM 903 CD1 LEU A 61 7.118 -14.849 5.167 1.00 0.00 C ATOM 904 CD2 LEU A 61 5.703 -16.892 4.933 1.00 0.00 C ATOM 0 H LEU A 61 5.817 -13.726 2.507 1.00 0.00 H new ATOM 0 HA LEU A 61 8.556 -14.659 3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.731 -15.642 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.000 -16.796 2.334 1.00 0.00 H new ATOM 0 HG LEU A 61 7.828 -16.787 4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.240 -15.055 6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.000 -14.328 4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.238 -14.224 5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.822 -17.088 5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.823 -16.268 4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.579 -17.836 4.402 1.00 0.00 H new ATOM 916 N LYS A 62 7.876 -14.130 0.129 1.00 0.00 N ATOM 917 CA LYS A 62 8.362 -14.304 -1.271 1.00 0.00 C ATOM 918 C LYS A 62 8.666 -12.940 -1.898 1.00 0.00 C ATOM 919 O LYS A 62 7.950 -11.984 -1.680 1.00 0.00 O ATOM 920 CB LYS A 62 7.210 -14.987 -2.009 1.00 0.00 C ATOM 921 CG LYS A 62 7.547 -15.095 -3.496 1.00 0.00 C ATOM 922 CD LYS A 62 6.253 -15.140 -4.310 1.00 0.00 C ATOM 923 CE LYS A 62 5.679 -16.558 -4.275 1.00 0.00 C ATOM 924 NZ LYS A 62 5.007 -16.727 -5.594 1.00 0.00 N ATOM 0 H LYS A 62 7.280 -13.317 0.284 1.00 0.00 H new ATOM 0 HA LYS A 62 9.281 -14.889 -1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.035 -15.979 -1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.290 -14.418 -1.874 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.154 -14.244 -3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.138 -15.992 -3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.530 -14.433 -3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.448 -14.840 -5.340 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.465 -17.300 -4.133 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.974 -16.679 -3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.586 -17.676 -5.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.260 -16.011 -5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.705 -16.612 -6.356 1.00 0.00 H new ATOM 938 N PRO A 63 9.727 -12.900 -2.656 1.00 0.00 N ATOM 939 CA PRO A 63 10.141 -11.642 -3.323 1.00 0.00 C ATOM 940 C PRO A 63 9.225 -11.333 -4.512 1.00 0.00 C ATOM 941 O PRO A 63 9.587 -11.531 -5.654 1.00 0.00 O ATOM 942 CB PRO A 63 11.560 -11.937 -3.796 1.00 0.00 C ATOM 943 CG PRO A 63 11.624 -13.426 -3.935 1.00 0.00 C ATOM 944 CD PRO A 63 10.634 -14.013 -2.960 1.00 0.00 C ATOM 0 HA PRO A 63 10.085 -10.774 -2.666 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.770 -11.443 -4.745 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.297 -11.576 -3.079 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.383 -13.727 -4.955 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.630 -13.788 -3.725 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.098 -14.856 -3.395 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.130 -14.380 -2.061 1.00 0.00 H new ATOM 952 N TYR A 64 8.046 -10.841 -4.251 1.00 0.00 N ATOM 953 CA TYR A 64 7.113 -10.510 -5.365 1.00 0.00 C ATOM 954 C TYR A 64 6.415 -9.180 -5.077 1.00 0.00 C ATOM 955 O TYR A 64 5.249 -9.001 -5.368 1.00 0.00 O ATOM 956 CB TYR A 64 6.100 -11.655 -5.399 1.00 0.00 C ATOM 957 CG TYR A 64 5.873 -12.077 -6.831 1.00 0.00 C ATOM 958 CD1 TYR A 64 4.934 -11.401 -7.619 1.00 0.00 C ATOM 959 CD2 TYR A 64 6.605 -13.141 -7.372 1.00 0.00 C ATOM 960 CE1 TYR A 64 4.728 -11.789 -8.949 1.00 0.00 C ATOM 961 CE2 TYR A 64 6.398 -13.529 -8.701 1.00 0.00 C ATOM 962 CZ TYR A 64 5.460 -12.854 -9.489 1.00 0.00 C ATOM 963 OH TYR A 64 5.256 -13.236 -10.799 1.00 0.00 O ATOM 0 H TYR A 64 7.688 -10.654 -3.315 1.00 0.00 H new ATOM 0 HA TYR A 64 7.628 -10.404 -6.320 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.467 -12.498 -4.813 1.00 0.00 H new ATOM 0 HB3 TYR A 64 5.160 -11.338 -4.948 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.369 -10.581 -7.202 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.329 -13.662 -6.764 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.005 -11.267 -9.558 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.963 -14.350 -9.118 1.00 0.00 H new ATOM 0 HH TYR A 64 5.844 -13.989 -11.016 1.00 0.00 H new ATOM 973 N SER A 65 7.121 -8.246 -4.503 1.00 0.00 N ATOM 974 CA SER A 65 6.504 -6.927 -4.189 1.00 0.00 C ATOM 975 C SER A 65 7.221 -5.812 -4.956 1.00 0.00 C ATOM 976 O SER A 65 8.412 -5.871 -5.189 1.00 0.00 O ATOM 977 CB SER A 65 6.694 -6.751 -2.682 1.00 0.00 C ATOM 978 OG SER A 65 6.035 -5.568 -2.257 1.00 0.00 O ATOM 0 H SER A 65 8.101 -8.340 -4.237 1.00 0.00 H new ATOM 0 HA SER A 65 5.453 -6.883 -4.475 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.293 -7.614 -2.151 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.756 -6.695 -2.443 1.00 0.00 H new ATOM 0 HG SER A 65 6.155 -5.456 -1.291 1.00 0.00 H new ATOM 984 N ILE A 66 6.504 -4.796 -5.349 1.00 0.00 N ATOM 985 CA ILE A 66 7.142 -3.677 -6.102 1.00 0.00 C ATOM 986 C ILE A 66 7.958 -2.797 -5.150 1.00 0.00 C ATOM 987 O ILE A 66 7.641 -2.780 -3.973 1.00 0.00 O ATOM 988 CB ILE A 66 5.978 -2.886 -6.700 1.00 0.00 C ATOM 989 CG1 ILE A 66 6.525 -1.708 -7.509 1.00 0.00 C ATOM 990 CG2 ILE A 66 5.085 -2.361 -5.576 1.00 0.00 C ATOM 991 CD1 ILE A 66 7.373 -2.234 -8.668 1.00 0.00 C ATOM 992 OXT ILE A 66 8.886 -2.157 -5.616 1.00 0.00 O ATOM 0 H ILE A 66 5.503 -4.691 -5.182 1.00 0.00 H new ATOM 0 HA ILE A 66 7.828 -4.034 -6.870 1.00 0.00 H new ATOM 0 HB ILE A 66 5.395 -3.536 -7.352 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.703 -1.103 -7.891 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.126 -1.062 -6.869 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.256 -1.797 -6.003 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.695 -3.200 -4.999 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.667 -1.711 -4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.762 -1.395 -9.244 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.203 -2.820 -8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.758 -2.862 -9.313 1.00 0.00 H new TER 1004 ILE A 66