USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 826 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 75 THR OG1 : rot 180:sc= 0.455 USER MOD Set 1.2: A 81 THR OG1 : rot -93:sc= 0.478 USER MOD Set 2.1: A 9 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 31 MET CE :methyl -168:sc= -1 (180deg=-2.12!) USER MOD Set 2.3: A 79 TYR OH : rot -141:sc= 1.24 USER MOD Set 3.1: A 16 TYR OH : rot -169:sc= 1.62 USER MOD Set 3.2: A 34 LYS NZ :NH3+ -107:sc= -1.66 (180deg=-4.17!) USER MOD Set 4.1: A 3 THR OG1 : rot 43:sc= 1.46 USER MOD Set 4.2: A 28 CYS SG : rot 45:sc= -1.38! USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ -110:sc= 0.144 (180deg=0) USER MOD Single : A 2 MET CE :methyl 140:sc= -0.255 (180deg=-0.916) USER MOD Single : A 5 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -156:sc= -2.14! USER MOD Single : A 11 GLN : amide:sc= -0.0953 K(o=-0.095,f=-0.73) USER MOD Single : A 12 GLN : amide:sc= -0.761 K(o=-0.76,f=-0.15) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= -5.69! C(o=-5.7!,f=-6.4!) USER MOD Single : A 20 MET CE :methyl -164:sc= -0.0768 (180deg=-0.484) USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 0.289 (180deg=0.256) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -0.889! C(o=-0.89!,f=-5.6!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= -0.34 (180deg=-0.682) USER MOD Single : A 68 SER OG : rot 31:sc= 0.955 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0926 USER MOD Single : A 71 MET CE :methyl -149:sc= -0.0526 (180deg=-1.59) USER MOD Single : A 74 TYR OH : rot 165:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -28:sc= 0.0474 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 3.699 8.984 -11.235 1.00 0.00 N ATOM 2 CA HIS A 1 2.335 9.031 -10.696 1.00 0.00 C ATOM 3 C HIS A 1 2.413 9.304 -9.213 1.00 0.00 C ATOM 4 O HIS A 1 3.454 9.078 -8.614 1.00 0.00 O ATOM 5 CB HIS A 1 1.587 7.706 -10.950 1.00 0.00 C ATOM 6 CG HIS A 1 1.367 7.347 -12.396 1.00 0.00 C ATOM 7 ND1 HIS A 1 0.298 7.786 -13.151 1.00 0.00 N ATOM 8 CD2 HIS A 1 2.096 6.554 -13.218 1.00 0.00 C ATOM 9 CE1 HIS A 1 0.410 7.263 -14.371 1.00 0.00 C ATOM 10 NE2 HIS A 1 1.486 6.504 -14.467 1.00 0.00 N ATOM 0 H1 HIS A 1 3.865 9.818 -11.833 1.00 0.00 H new ATOM 0 H2 HIS A 1 4.382 8.979 -10.451 1.00 0.00 H new ATOM 0 H3 HIS A 1 3.818 8.121 -11.803 1.00 0.00 H new ATOM 0 HA HIS A 1 1.781 9.824 -11.199 1.00 0.00 H new ATOM 0 HB2 HIS A 1 2.144 6.899 -10.475 1.00 0.00 H new ATOM 0 HB3 HIS A 1 0.617 7.757 -10.456 1.00 0.00 H new ATOM 0 HD2 HIS A 1 3.007 6.042 -12.946 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -0.288 7.437 -15.176 1.00 0.00 H new ATOM 0 HE2 HIS A 1 1.804 5.988 -15.287 1.00 0.00 H new ATOM 18 N MET A 2 1.343 9.830 -8.628 1.00 0.00 N ATOM 19 CA MET A 2 1.294 10.138 -7.206 1.00 0.00 C ATOM 20 C MET A 2 -0.144 10.008 -6.729 1.00 0.00 C ATOM 21 O MET A 2 -1.077 10.358 -7.463 1.00 0.00 O ATOM 22 CB MET A 2 1.741 11.590 -6.878 1.00 0.00 C ATOM 23 CG MET A 2 3.128 12.049 -7.346 1.00 0.00 C ATOM 24 SD MET A 2 3.213 12.461 -9.113 1.00 0.00 S ATOM 25 CE MET A 2 2.016 13.801 -9.216 1.00 0.00 C ATOM 0 H MET A 2 0.483 10.055 -9.129 1.00 0.00 H new ATOM 0 HA MET A 2 1.975 9.444 -6.713 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.004 12.269 -7.307 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.698 11.714 -5.796 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.426 12.922 -6.765 1.00 0.00 H new ATOM 0 HG3 MET A 2 3.851 11.262 -7.132 1.00 0.00 H new ATOM 0 HE1 MET A 2 2.394 14.576 -9.883 1.00 0.00 H new ATOM 0 HE2 MET A 2 1.072 13.417 -9.603 1.00 0.00 H new ATOM 0 HE3 MET A 2 1.856 14.223 -8.224 1.00 0.00 H new ATOM 35 N THR A 3 -0.328 9.495 -5.546 1.00 0.00 N ATOM 36 CA THR A 3 -1.646 9.389 -4.963 1.00 0.00 C ATOM 37 C THR A 3 -1.650 10.063 -3.605 1.00 0.00 C ATOM 38 O THR A 3 -0.965 9.621 -2.674 1.00 0.00 O ATOM 39 CB THR A 3 -2.107 7.926 -4.788 1.00 0.00 C ATOM 40 OG1 THR A 3 -2.025 7.235 -6.029 1.00 0.00 O ATOM 41 CG2 THR A 3 -3.552 7.879 -4.299 1.00 0.00 C ATOM 0 H THR A 3 0.424 9.138 -4.956 1.00 0.00 H new ATOM 0 HA THR A 3 -2.338 9.876 -5.650 1.00 0.00 H new ATOM 0 HB THR A 3 -1.456 7.451 -4.055 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.184 7.466 -6.477 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.862 6.841 -4.180 1.00 0.00 H new ATOM 0 HG22 THR A 3 -3.629 8.392 -3.341 1.00 0.00 H new ATOM 0 HG23 THR A 3 -4.198 8.370 -5.026 1.00 0.00 H new ATOM 49 N PHE A 4 -2.357 11.154 -3.505 1.00 0.00 N ATOM 50 CA PHE A 4 -2.483 11.852 -2.256 1.00 0.00 C ATOM 51 C PHE A 4 -3.942 12.035 -1.904 1.00 0.00 C ATOM 52 O PHE A 4 -4.275 12.431 -0.790 1.00 0.00 O ATOM 53 CB PHE A 4 -1.784 13.202 -2.295 1.00 0.00 C ATOM 54 CG PHE A 4 -0.325 13.110 -2.572 1.00 0.00 C ATOM 55 CD1 PHE A 4 0.535 12.610 -1.617 1.00 0.00 C ATOM 56 CD2 PHE A 4 0.187 13.504 -3.790 1.00 0.00 C ATOM 57 CE1 PHE A 4 1.876 12.497 -1.874 1.00 0.00 C ATOM 58 CE2 PHE A 4 1.532 13.400 -4.047 1.00 0.00 C ATOM 59 CZ PHE A 4 2.374 12.891 -3.088 1.00 0.00 C ATOM 0 H PHE A 4 -2.860 11.583 -4.282 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.000 11.247 -1.489 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.252 13.822 -3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.933 13.707 -1.340 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.147 12.304 -0.656 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.475 13.897 -4.548 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.539 12.098 -1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.927 13.718 -5.001 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.431 12.801 -3.292 1.00 0.00 H new ATOM 69 N CYS A 5 -4.811 11.753 -2.851 1.00 0.00 N ATOM 70 CA CYS A 5 -6.230 11.859 -2.627 1.00 0.00 C ATOM 71 C CYS A 5 -6.741 10.622 -1.917 1.00 0.00 C ATOM 72 O CYS A 5 -7.048 9.617 -2.544 1.00 0.00 O ATOM 73 CB CYS A 5 -6.975 12.074 -3.937 1.00 0.00 C ATOM 74 SG CYS A 5 -6.563 13.612 -4.784 1.00 0.00 S ATOM 0 H CYS A 5 -4.553 11.447 -3.789 1.00 0.00 H new ATOM 0 HA CYS A 5 -6.413 12.726 -1.993 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -6.762 11.238 -4.603 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -8.047 12.059 -3.738 1.00 0.00 H new ATOM 0 HG CYS A 5 -7.247 13.697 -5.886 1.00 0.00 H new ATOM 80 N LEU A 6 -6.770 10.692 -0.608 1.00 0.00 N ATOM 81 CA LEU A 6 -7.199 9.595 0.207 1.00 0.00 C ATOM 82 C LEU A 6 -8.717 9.511 0.328 1.00 0.00 C ATOM 83 O LEU A 6 -9.322 8.466 0.155 1.00 0.00 O ATOM 84 CB LEU A 6 -6.483 9.569 1.618 1.00 0.00 C ATOM 85 CG LEU A 6 -6.406 10.814 2.565 1.00 0.00 C ATOM 86 CD1 LEU A 6 -5.610 11.979 2.010 1.00 0.00 C ATOM 87 CD2 LEU A 6 -7.750 11.264 3.101 1.00 0.00 C ATOM 0 H LEU A 6 -6.494 11.520 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.883 8.692 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.961 8.775 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.455 9.256 1.436 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.838 10.441 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.610 12.796 2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.585 11.662 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.063 12.318 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.612 12.130 3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.402 11.532 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.204 10.454 3.671 1.00 0.00 H new ATOM 99 N GLU A 7 -9.330 10.645 0.494 1.00 0.00 N ATOM 100 CA GLU A 7 -10.754 10.728 0.712 1.00 0.00 C ATOM 101 C GLU A 7 -11.552 10.491 -0.577 1.00 0.00 C ATOM 102 O GLU A 7 -12.768 10.245 -0.553 1.00 0.00 O ATOM 103 CB GLU A 7 -11.056 12.058 1.385 1.00 0.00 C ATOM 104 CG GLU A 7 -12.503 12.364 1.668 1.00 0.00 C ATOM 105 CD GLU A 7 -12.675 13.801 2.050 1.00 0.00 C ATOM 106 OE1 GLU A 7 -12.431 14.157 3.212 1.00 0.00 O ATOM 107 OE2 GLU A 7 -12.974 14.620 1.164 1.00 0.00 O ATOM 0 H GLU A 7 -8.857 11.549 0.483 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.078 9.927 1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.511 12.093 2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.657 12.855 0.757 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.106 12.142 0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.865 11.723 2.472 1.00 0.00 H new ATOM 114 N THR A 8 -10.866 10.502 -1.689 1.00 0.00 N ATOM 115 CA THR A 8 -11.495 10.240 -2.946 1.00 0.00 C ATOM 116 C THR A 8 -11.870 8.751 -3.010 1.00 0.00 C ATOM 117 O THR A 8 -12.853 8.370 -3.634 1.00 0.00 O ATOM 118 CB THR A 8 -10.554 10.618 -4.102 1.00 0.00 C ATOM 119 OG1 THR A 8 -10.101 11.963 -3.888 1.00 0.00 O ATOM 120 CG2 THR A 8 -11.272 10.542 -5.447 1.00 0.00 C ATOM 0 H THR A 8 -9.865 10.691 -1.744 1.00 0.00 H new ATOM 0 HA THR A 8 -12.398 10.843 -3.042 1.00 0.00 H new ATOM 0 HB THR A 8 -9.718 9.919 -4.124 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.833 12.358 -4.744 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.581 10.815 -6.244 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.632 9.526 -5.610 1.00 0.00 H new ATOM 0 HG23 THR A 8 -12.117 11.231 -5.448 1.00 0.00 H new ATOM 128 N TYR A 9 -11.143 7.932 -2.264 1.00 0.00 N ATOM 129 CA TYR A 9 -11.378 6.519 -2.257 1.00 0.00 C ATOM 130 C TYR A 9 -12.589 6.134 -1.453 1.00 0.00 C ATOM 131 O TYR A 9 -13.217 5.103 -1.723 1.00 0.00 O ATOM 132 CB TYR A 9 -10.123 5.738 -1.919 1.00 0.00 C ATOM 133 CG TYR A 9 -9.220 5.657 -3.119 1.00 0.00 C ATOM 134 CD1 TYR A 9 -9.348 4.609 -4.005 1.00 0.00 C ATOM 135 CD2 TYR A 9 -8.285 6.648 -3.403 1.00 0.00 C ATOM 136 CE1 TYR A 9 -8.588 4.533 -5.138 1.00 0.00 C ATOM 137 CE2 TYR A 9 -7.503 6.576 -4.543 1.00 0.00 C ATOM 138 CZ TYR A 9 -7.666 5.511 -5.409 1.00 0.00 C ATOM 139 OH TYR A 9 -6.913 5.428 -6.569 1.00 0.00 O ATOM 0 H TYR A 9 -10.383 8.237 -1.656 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.630 6.227 -3.276 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.599 6.218 -1.093 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.389 4.734 -1.587 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -10.066 3.829 -3.799 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -8.168 7.482 -2.727 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -8.713 3.704 -5.819 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.773 7.344 -4.754 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.305 6.195 -6.620 1.00 0.00 H new ATOM 149 N LEU A 10 -12.964 6.984 -0.509 1.00 0.00 N ATOM 150 CA LEU A 10 -14.168 6.757 0.276 1.00 0.00 C ATOM 151 C LEU A 10 -15.344 6.964 -0.666 1.00 0.00 C ATOM 152 O LEU A 10 -16.299 6.180 -0.693 1.00 0.00 O ATOM 153 CB LEU A 10 -14.235 7.749 1.469 1.00 0.00 C ATOM 154 CG LEU A 10 -15.309 7.514 2.574 1.00 0.00 C ATOM 155 CD1 LEU A 10 -14.984 8.359 3.792 1.00 0.00 C ATOM 156 CD2 LEU A 10 -16.710 7.874 2.097 1.00 0.00 C ATOM 0 H LEU A 10 -12.454 7.834 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.180 5.752 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -13.258 7.752 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.392 8.747 1.061 1.00 0.00 H new ATOM 0 HG LEU A 10 -15.290 6.452 2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -15.737 8.192 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -14.003 8.080 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.978 9.413 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -17.425 7.694 2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -16.739 8.926 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.970 7.259 1.235 1.00 0.00 H new ATOM 168 N GLN A 11 -15.211 7.981 -1.499 1.00 0.00 N ATOM 169 CA GLN A 11 -16.217 8.349 -2.461 1.00 0.00 C ATOM 170 C GLN A 11 -16.307 7.299 -3.548 1.00 0.00 C ATOM 171 O GLN A 11 -17.375 7.025 -4.081 1.00 0.00 O ATOM 172 CB GLN A 11 -15.892 9.724 -3.059 1.00 0.00 C ATOM 173 CG GLN A 11 -15.998 10.870 -2.059 1.00 0.00 C ATOM 174 CD GLN A 11 -17.411 11.042 -1.526 1.00 0.00 C ATOM 175 OE1 GLN A 11 -18.390 10.757 -2.220 1.00 0.00 O ATOM 176 NE2 GLN A 11 -17.533 11.494 -0.312 1.00 0.00 N ATOM 0 H GLN A 11 -14.385 8.580 -1.521 1.00 0.00 H new ATOM 0 HA GLN A 11 -17.184 8.409 -1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -14.882 9.703 -3.467 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -16.568 9.917 -3.892 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -15.318 10.687 -1.227 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.677 11.796 -2.536 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.702 11.720 0.234 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.460 11.623 0.094 1.00 0.00 H new ATOM 185 N GLN A 12 -15.192 6.675 -3.844 1.00 0.00 N ATOM 186 CA GLN A 12 -15.161 5.657 -4.873 1.00 0.00 C ATOM 187 C GLN A 12 -15.512 4.284 -4.330 1.00 0.00 C ATOM 188 O GLN A 12 -15.570 3.305 -5.081 1.00 0.00 O ATOM 189 CB GLN A 12 -13.814 5.638 -5.604 1.00 0.00 C ATOM 190 CG GLN A 12 -13.509 6.925 -6.359 1.00 0.00 C ATOM 191 CD GLN A 12 -14.548 7.266 -7.417 1.00 0.00 C ATOM 192 OE1 GLN A 12 -14.801 8.439 -7.692 1.00 0.00 O ATOM 193 NE2 GLN A 12 -15.134 6.272 -8.041 1.00 0.00 N ATOM 0 H GLN A 12 -14.296 6.852 -3.390 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.930 5.920 -5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.020 5.455 -4.880 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.803 4.804 -6.306 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -13.443 7.748 -5.647 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.533 6.836 -6.835 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.906 5.309 -7.793 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -15.818 6.462 -8.774 1.00 0.00 H new ATOM 202 N SER A 13 -15.772 4.226 -3.027 1.00 0.00 N ATOM 203 CA SER A 13 -16.096 2.995 -2.329 1.00 0.00 C ATOM 204 C SER A 13 -14.981 1.959 -2.544 1.00 0.00 C ATOM 205 O SER A 13 -15.229 0.786 -2.855 1.00 0.00 O ATOM 206 CB SER A 13 -17.463 2.465 -2.785 1.00 0.00 C ATOM 207 OG SER A 13 -18.472 3.473 -2.641 1.00 0.00 O ATOM 0 H SER A 13 -15.762 5.047 -2.422 1.00 0.00 H new ATOM 0 HA SER A 13 -16.164 3.195 -1.260 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.406 2.147 -3.826 1.00 0.00 H new ATOM 0 HB3 SER A 13 -17.733 1.587 -2.198 1.00 0.00 H new ATOM 0 HG SER A 13 -19.335 3.117 -2.938 1.00 0.00 H new ATOM 213 N GLY A 14 -13.764 2.412 -2.393 1.00 0.00 N ATOM 214 CA GLY A 14 -12.622 1.571 -2.556 1.00 0.00 C ATOM 215 C GLY A 14 -11.536 2.037 -1.656 1.00 0.00 C ATOM 216 O GLY A 14 -10.437 2.315 -2.103 1.00 0.00 O ATOM 0 H GLY A 14 -13.543 3.378 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.882 0.538 -2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.285 1.593 -3.592 1.00 0.00 H new ATOM 220 N GLU A 15 -11.886 2.154 -0.392 1.00 0.00 N ATOM 221 CA GLU A 15 -11.002 2.635 0.655 1.00 0.00 C ATOM 222 C GLU A 15 -9.754 1.762 0.768 1.00 0.00 C ATOM 223 O GLU A 15 -9.834 0.518 0.712 1.00 0.00 O ATOM 224 CB GLU A 15 -11.773 2.672 1.975 1.00 0.00 C ATOM 225 CG GLU A 15 -12.987 3.595 1.928 1.00 0.00 C ATOM 226 CD GLU A 15 -13.895 3.451 3.126 1.00 0.00 C ATOM 227 OE1 GLU A 15 -13.611 4.014 4.191 1.00 0.00 O ATOM 228 OE2 GLU A 15 -14.929 2.745 3.014 1.00 0.00 O ATOM 0 H GLU A 15 -12.817 1.911 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.663 3.641 0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.100 1.663 2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.105 2.999 2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.646 4.628 1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.557 3.388 1.022 1.00 0.00 H new ATOM 235 N TYR A 16 -8.632 2.415 0.868 1.00 0.00 N ATOM 236 CA TYR A 16 -7.333 1.790 0.976 1.00 0.00 C ATOM 237 C TYR A 16 -6.569 2.550 2.071 1.00 0.00 C ATOM 238 O TYR A 16 -5.341 2.466 2.194 1.00 0.00 O ATOM 239 CB TYR A 16 -6.648 1.923 -0.413 1.00 0.00 C ATOM 240 CG TYR A 16 -5.297 1.229 -0.636 1.00 0.00 C ATOM 241 CD1 TYR A 16 -5.190 -0.157 -0.677 1.00 0.00 C ATOM 242 CD2 TYR A 16 -4.148 1.977 -0.883 1.00 0.00 C ATOM 243 CE1 TYR A 16 -3.976 -0.776 -0.958 1.00 0.00 C ATOM 244 CE2 TYR A 16 -2.931 1.370 -1.150 1.00 0.00 C ATOM 245 CZ TYR A 16 -2.848 -0.005 -1.190 1.00 0.00 C ATOM 246 OH TYR A 16 -1.636 -0.620 -1.507 1.00 0.00 O ATOM 0 H TYR A 16 -8.589 3.434 0.877 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.374 0.734 1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.343 1.543 -1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.511 2.986 -0.614 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.064 -0.763 -0.488 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.207 3.055 -0.866 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.913 -1.854 -0.995 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.052 1.972 -1.326 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.914 0.041 -1.467 1.00 0.00 H new ATOM 256 N GLU A 17 -7.334 3.259 2.894 1.00 0.00 N ATOM 257 CA GLU A 17 -6.790 4.082 3.942 1.00 0.00 C ATOM 258 C GLU A 17 -7.691 4.237 5.122 1.00 0.00 C ATOM 259 O GLU A 17 -8.852 3.809 5.138 1.00 0.00 O ATOM 260 CB GLU A 17 -6.496 5.488 3.476 1.00 0.00 C ATOM 261 CG GLU A 17 -7.630 6.194 2.742 1.00 0.00 C ATOM 262 CD GLU A 17 -7.632 5.925 1.258 1.00 0.00 C ATOM 263 OE1 GLU A 17 -6.841 6.580 0.538 1.00 0.00 O ATOM 264 OE2 GLU A 17 -8.397 5.063 0.804 1.00 0.00 O ATOM 0 H GLU A 17 -8.353 3.272 2.844 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.883 3.548 4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.221 6.088 4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.626 5.459 2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.583 5.875 3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.551 7.268 2.910 1.00 0.00 H new ATOM 271 N ILE A 18 -7.152 4.930 6.122 1.00 0.00 N ATOM 272 CA ILE A 18 -7.906 5.221 7.278 1.00 0.00 C ATOM 273 C ILE A 18 -8.300 6.718 7.295 1.00 0.00 C ATOM 274 O ILE A 18 -8.740 7.274 8.308 1.00 0.00 O ATOM 275 CB ILE A 18 -7.285 4.675 8.619 1.00 0.00 C ATOM 276 CG1 ILE A 18 -8.255 4.825 9.820 1.00 0.00 C ATOM 277 CG2 ILE A 18 -5.933 5.299 8.921 1.00 0.00 C ATOM 278 CD1 ILE A 18 -7.719 4.296 11.141 1.00 0.00 C ATOM 0 H ILE A 18 -6.197 5.288 6.129 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.833 4.651 7.219 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.123 3.608 8.467 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.502 5.880 9.940 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.184 4.305 9.586 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.545 4.892 9.855 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.239 5.074 8.111 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.044 6.379 9.015 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -8.465 4.444 11.922 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.500 3.233 11.045 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.807 4.832 11.405 1.00 0.00 H new ATOM 290 N HIS A 19 -8.218 7.320 6.103 1.00 0.00 N ATOM 291 CA HIS A 19 -8.551 8.734 5.881 1.00 0.00 C ATOM 292 C HIS A 19 -7.751 9.617 6.768 1.00 0.00 C ATOM 293 O HIS A 19 -8.240 10.294 7.659 1.00 0.00 O ATOM 294 CB HIS A 19 -10.049 8.979 5.955 1.00 0.00 C ATOM 295 CG HIS A 19 -10.718 8.309 4.822 1.00 0.00 C ATOM 296 ND1 HIS A 19 -11.220 7.032 4.865 1.00 0.00 N ATOM 297 CD2 HIS A 19 -10.857 8.723 3.561 1.00 0.00 C ATOM 298 CE1 HIS A 19 -11.625 6.715 3.644 1.00 0.00 C ATOM 299 NE2 HIS A 19 -11.426 7.715 2.810 1.00 0.00 N ATOM 0 H HIS A 19 -7.916 6.836 5.257 1.00 0.00 H new ATOM 0 HA HIS A 19 -8.269 8.998 4.862 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -10.443 8.601 6.898 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -10.254 10.049 5.930 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -11.272 6.434 5.690 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -10.569 9.694 3.187 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -12.060 5.765 3.370 1.00 0.00 H new ATOM 307 N MET A 20 -6.500 9.509 6.542 1.00 0.00 N ATOM 308 CA MET A 20 -5.468 10.181 7.249 1.00 0.00 C ATOM 309 C MET A 20 -4.508 10.675 6.175 1.00 0.00 C ATOM 310 O MET A 20 -4.892 10.700 5.028 1.00 0.00 O ATOM 311 CB MET A 20 -4.829 9.173 8.220 1.00 0.00 C ATOM 312 CG MET A 20 -5.671 8.836 9.441 1.00 0.00 C ATOM 313 SD MET A 20 -6.032 10.259 10.480 1.00 0.00 S ATOM 314 CE MET A 20 -4.391 10.711 11.006 1.00 0.00 C ATOM 0 H MET A 20 -6.137 8.905 5.804 1.00 0.00 H new ATOM 0 HA MET A 20 -5.803 11.026 7.850 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.618 8.252 7.677 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.872 9.571 8.556 1.00 0.00 H new ATOM 0 HG2 MET A 20 -6.609 8.389 9.113 1.00 0.00 H new ATOM 0 HG3 MET A 20 -5.150 8.085 10.035 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.455 11.381 11.864 1.00 0.00 H new ATOM 0 HE2 MET A 20 -3.839 9.814 11.287 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.873 11.215 10.190 1.00 0.00 H new ATOM 324 N LYS A 21 -3.295 10.990 6.478 1.00 0.00 N ATOM 325 CA LYS A 21 -2.416 11.524 5.444 1.00 0.00 C ATOM 326 C LYS A 21 -1.709 10.398 4.684 1.00 0.00 C ATOM 327 O LYS A 21 -0.934 9.650 5.256 1.00 0.00 O ATOM 328 CB LYS A 21 -1.433 12.511 6.067 1.00 0.00 C ATOM 329 CG LYS A 21 -0.516 13.220 5.103 1.00 0.00 C ATOM 330 CD LYS A 21 0.280 14.273 5.843 1.00 0.00 C ATOM 331 CE LYS A 21 1.287 14.965 4.954 1.00 0.00 C ATOM 332 NZ LYS A 21 0.661 15.708 3.846 1.00 0.00 N ATOM 0 H LYS A 21 -2.878 10.898 7.404 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.012 12.063 4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.000 13.261 6.618 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.822 11.976 6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.158 12.504 4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.097 13.683 4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.402 15.014 6.260 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.798 13.809 6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.882 15.653 5.555 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.973 14.223 4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.392 16.230 3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.185 15.041 3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.036 16.379 4.228 1.00 0.00 H new ATOM 346 N ARG A 22 -2.020 10.264 3.401 1.00 0.00 N ATOM 347 CA ARG A 22 -1.439 9.210 2.579 1.00 0.00 C ATOM 348 C ARG A 22 -0.405 9.834 1.644 1.00 0.00 C ATOM 349 O ARG A 22 -0.442 11.058 1.415 1.00 0.00 O ATOM 350 CB ARG A 22 -2.537 8.487 1.749 1.00 0.00 C ATOM 351 CG ARG A 22 -3.021 9.226 0.515 1.00 0.00 C ATOM 352 CD ARG A 22 -3.878 8.316 -0.354 1.00 0.00 C ATOM 353 NE ARG A 22 -3.141 7.130 -0.802 1.00 0.00 N ATOM 354 CZ ARG A 22 -3.684 5.962 -1.182 1.00 0.00 C ATOM 355 NH1 ARG A 22 -4.966 5.681 -0.956 1.00 0.00 N ATOM 356 NH2 ARG A 22 -2.900 5.045 -1.689 1.00 0.00 N ATOM 0 H ARG A 22 -2.672 10.873 2.907 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.965 8.471 3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.153 7.515 1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.393 8.300 2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.597 10.102 0.812 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.167 9.586 -0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.760 8.005 0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.232 8.872 -1.222 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.124 7.198 -0.827 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.562 6.361 -0.483 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.352 4.786 -1.256 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.901 5.226 -1.788 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.288 4.149 -1.985 1.00 0.00 H new ATOM 370 N ALA A 23 0.493 9.034 1.105 1.00 0.00 N ATOM 371 CA ALA A 23 1.509 9.559 0.160 1.00 0.00 C ATOM 372 C ALA A 23 2.056 8.458 -0.769 1.00 0.00 C ATOM 373 O ALA A 23 3.069 7.815 -0.458 1.00 0.00 O ATOM 374 CB ALA A 23 2.646 10.245 0.916 1.00 0.00 C ATOM 0 H ALA A 23 0.556 8.033 1.288 1.00 0.00 H new ATOM 0 HA ALA A 23 1.015 10.298 -0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.380 10.623 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.246 11.074 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.124 9.528 1.584 1.00 0.00 H new ATOM 380 N GLY A 24 1.399 8.243 -1.899 1.00 0.00 N ATOM 381 CA GLY A 24 1.784 7.172 -2.800 1.00 0.00 C ATOM 382 C GLY A 24 2.467 7.574 -4.057 1.00 0.00 C ATOM 383 O GLY A 24 1.846 7.676 -5.097 1.00 0.00 O ATOM 0 H GLY A 24 0.600 8.795 -2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.440 6.490 -2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.888 6.610 -3.064 1.00 0.00 H new ATOM 387 N PHE A 25 3.753 7.719 -3.988 1.00 0.00 N ATOM 388 CA PHE A 25 4.531 8.100 -5.149 1.00 0.00 C ATOM 389 C PHE A 25 4.743 6.909 -6.075 1.00 0.00 C ATOM 390 O PHE A 25 4.250 6.865 -7.186 1.00 0.00 O ATOM 391 CB PHE A 25 5.893 8.654 -4.728 1.00 0.00 C ATOM 392 CG PHE A 25 5.844 9.972 -4.013 1.00 0.00 C ATOM 393 CD1 PHE A 25 5.811 11.154 -4.730 1.00 0.00 C ATOM 394 CD2 PHE A 25 5.856 10.033 -2.629 1.00 0.00 C ATOM 395 CE1 PHE A 25 5.789 12.369 -4.086 1.00 0.00 C ATOM 396 CE2 PHE A 25 5.831 11.249 -1.977 1.00 0.00 C ATOM 397 CZ PHE A 25 5.801 12.417 -2.708 1.00 0.00 C ATOM 0 H PHE A 25 4.300 7.581 -3.138 1.00 0.00 H new ATOM 0 HA PHE A 25 3.974 8.872 -5.679 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.382 7.925 -4.082 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.516 8.762 -5.616 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.802 11.123 -5.810 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.885 9.119 -2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.762 13.284 -4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.835 11.285 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.787 13.371 -2.201 1.00 0.00 H new ATOM 407 N ARG A 26 5.410 5.918 -5.579 1.00 0.00 N ATOM 408 CA ARG A 26 5.736 4.764 -6.393 1.00 0.00 C ATOM 409 C ARG A 26 4.582 3.792 -6.460 1.00 0.00 C ATOM 410 O ARG A 26 4.220 3.287 -7.525 1.00 0.00 O ATOM 411 CB ARG A 26 6.935 4.058 -5.808 1.00 0.00 C ATOM 412 CG ARG A 26 8.263 4.777 -5.901 1.00 0.00 C ATOM 413 CD ARG A 26 8.847 4.660 -7.287 1.00 0.00 C ATOM 414 NE ARG A 26 10.165 5.310 -7.375 1.00 0.00 N ATOM 415 CZ ARG A 26 10.966 5.315 -8.450 1.00 0.00 C ATOM 416 NH1 ARG A 26 10.606 4.693 -9.563 1.00 0.00 N ATOM 417 NH2 ARG A 26 12.131 5.940 -8.393 1.00 0.00 N ATOM 0 H ARG A 26 5.745 5.872 -4.617 1.00 0.00 H new ATOM 0 HA ARG A 26 5.953 5.115 -7.402 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.731 3.856 -4.756 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.036 3.093 -6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.130 5.828 -5.647 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.958 4.359 -5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.941 3.608 -7.556 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.168 5.114 -8.008 1.00 0.00 H new ATOM 0 HE ARG A 26 10.498 5.800 -6.545 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.712 4.204 -9.608 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.223 4.703 -10.375 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.414 6.414 -7.535 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.746 5.948 -9.207 1.00 0.00 H new ATOM 431 N GLU A 27 3.943 3.608 -5.338 1.00 0.00 N ATOM 432 CA GLU A 27 2.890 2.645 -5.233 1.00 0.00 C ATOM 433 C GLU A 27 1.562 3.147 -5.834 1.00 0.00 C ATOM 434 O GLU A 27 0.580 2.397 -5.871 1.00 0.00 O ATOM 435 CB GLU A 27 2.741 2.234 -3.799 1.00 0.00 C ATOM 436 CG GLU A 27 2.063 0.913 -3.594 1.00 0.00 C ATOM 437 CD GLU A 27 1.999 0.526 -2.154 1.00 0.00 C ATOM 438 OE1 GLU A 27 3.047 0.472 -1.517 1.00 0.00 O ATOM 439 OE2 GLU A 27 0.901 0.185 -1.694 1.00 0.00 O ATOM 0 H GLU A 27 4.138 4.119 -4.477 1.00 0.00 H new ATOM 0 HA GLU A 27 3.161 1.772 -5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.730 2.195 -3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.176 3.003 -3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.053 0.959 -4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.596 0.143 -4.151 1.00 0.00 H new ATOM 446 N CYS A 28 1.526 4.422 -6.279 1.00 0.00 N ATOM 447 CA CYS A 28 0.345 4.979 -6.954 1.00 0.00 C ATOM 448 C CYS A 28 -0.113 4.038 -8.072 1.00 0.00 C ATOM 449 O CYS A 28 -1.285 3.669 -8.159 1.00 0.00 O ATOM 450 CB CYS A 28 0.696 6.330 -7.581 1.00 0.00 C ATOM 451 SG CYS A 28 -0.635 7.077 -8.550 1.00 0.00 S ATOM 0 H CYS A 28 2.301 5.078 -6.181 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.449 5.099 -6.217 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.982 7.021 -6.788 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.568 6.203 -8.223 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.754 6.982 -7.896 1.00 0.00 H new ATOM 457 N ALA A 29 0.847 3.588 -8.869 1.00 0.00 N ATOM 458 CA ALA A 29 0.558 2.732 -9.998 1.00 0.00 C ATOM 459 C ALA A 29 0.092 1.361 -9.543 1.00 0.00 C ATOM 460 O ALA A 29 -0.803 0.768 -10.141 1.00 0.00 O ATOM 461 CB ALA A 29 1.765 2.641 -10.909 1.00 0.00 C ATOM 0 H ALA A 29 1.836 3.806 -8.748 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.261 3.173 -10.567 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.534 1.994 -11.755 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.022 3.636 -11.273 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.608 2.228 -10.355 1.00 0.00 H new ATOM 467 N ALA A 30 0.682 0.899 -8.467 1.00 0.00 N ATOM 468 CA ALA A 30 0.377 -0.378 -7.871 1.00 0.00 C ATOM 469 C ALA A 30 -1.038 -0.476 -7.375 1.00 0.00 C ATOM 470 O ALA A 30 -1.691 -1.488 -7.570 1.00 0.00 O ATOM 471 CB ALA A 30 1.284 -0.606 -6.705 1.00 0.00 C ATOM 0 H ALA A 30 1.407 1.415 -7.969 1.00 0.00 H new ATOM 0 HA ALA A 30 0.515 -1.126 -8.652 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.057 -1.571 -6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.320 -0.599 -7.043 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.137 0.185 -5.970 1.00 0.00 H new ATOM 477 N MET A 31 -1.512 0.564 -6.719 1.00 0.00 N ATOM 478 CA MET A 31 -2.851 0.521 -6.141 1.00 0.00 C ATOM 479 C MET A 31 -3.922 0.403 -7.200 1.00 0.00 C ATOM 480 O MET A 31 -4.946 -0.243 -6.978 1.00 0.00 O ATOM 481 CB MET A 31 -3.134 1.683 -5.191 1.00 0.00 C ATOM 482 CG MET A 31 -3.247 3.045 -5.839 1.00 0.00 C ATOM 483 SD MET A 31 -3.668 4.318 -4.650 1.00 0.00 S ATOM 484 CE MET A 31 -5.200 3.666 -3.978 1.00 0.00 C ATOM 0 H MET A 31 -1.005 1.437 -6.571 1.00 0.00 H new ATOM 0 HA MET A 31 -2.881 -0.385 -5.536 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.062 1.476 -4.659 1.00 0.00 H new ATOM 0 HB3 MET A 31 -2.340 1.720 -4.445 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.303 3.297 -6.321 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.006 3.013 -6.621 1.00 0.00 H new ATOM 0 HE1 MET A 31 -5.695 4.436 -3.386 1.00 0.00 H new ATOM 0 HE2 MET A 31 -5.854 3.360 -4.794 1.00 0.00 H new ATOM 0 HE3 MET A 31 -4.983 2.806 -3.345 1.00 0.00 H new ATOM 494 N ILE A 32 -3.658 0.975 -8.356 1.00 0.00 N ATOM 495 CA ILE A 32 -4.574 0.909 -9.477 1.00 0.00 C ATOM 496 C ILE A 32 -4.717 -0.551 -9.917 1.00 0.00 C ATOM 497 O ILE A 32 -5.807 -1.022 -10.238 1.00 0.00 O ATOM 498 CB ILE A 32 -4.054 1.766 -10.660 1.00 0.00 C ATOM 499 CG1 ILE A 32 -3.847 3.224 -10.208 1.00 0.00 C ATOM 500 CG2 ILE A 32 -5.032 1.706 -11.835 1.00 0.00 C ATOM 501 CD1 ILE A 32 -3.257 4.133 -11.274 1.00 0.00 C ATOM 0 H ILE A 32 -2.803 1.499 -8.546 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.543 1.303 -9.170 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.096 1.362 -10.989 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.806 3.633 -9.889 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.192 3.232 -9.337 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.651 2.313 -12.656 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.140 0.673 -12.166 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.003 2.089 -11.520 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.145 5.140 -10.872 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.282 3.753 -11.577 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.921 4.159 -12.138 1.00 0.00 H new ATOM 513 N GLU A 33 -3.624 -1.272 -9.843 1.00 0.00 N ATOM 514 CA GLU A 33 -3.599 -2.654 -10.230 1.00 0.00 C ATOM 515 C GLU A 33 -4.237 -3.500 -9.129 1.00 0.00 C ATOM 516 O GLU A 33 -5.043 -4.394 -9.402 1.00 0.00 O ATOM 517 CB GLU A 33 -2.163 -3.104 -10.472 1.00 0.00 C ATOM 518 CG GLU A 33 -1.368 -2.227 -11.423 1.00 0.00 C ATOM 519 CD GLU A 33 0.045 -2.728 -11.625 1.00 0.00 C ATOM 520 OE1 GLU A 33 0.906 -2.516 -10.745 1.00 0.00 O ATOM 521 OE2 GLU A 33 0.329 -3.331 -12.689 1.00 0.00 O ATOM 0 H GLU A 33 -2.729 -0.913 -9.512 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.163 -2.781 -11.154 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.643 -3.140 -9.515 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.178 -4.120 -10.865 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.877 -2.186 -12.386 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.338 -1.209 -11.035 1.00 0.00 H new ATOM 528 N LYS A 34 -3.924 -3.157 -7.873 1.00 0.00 N ATOM 529 CA LYS A 34 -4.412 -3.878 -6.678 1.00 0.00 C ATOM 530 C LYS A 34 -5.919 -3.811 -6.563 1.00 0.00 C ATOM 531 O LYS A 34 -6.529 -4.608 -5.866 1.00 0.00 O ATOM 532 CB LYS A 34 -3.775 -3.309 -5.414 1.00 0.00 C ATOM 533 CG LYS A 34 -2.311 -3.673 -5.221 1.00 0.00 C ATOM 534 CD LYS A 34 -1.638 -2.678 -4.321 1.00 0.00 C ATOM 535 CE LYS A 34 -0.170 -2.947 -4.137 1.00 0.00 C ATOM 536 NZ LYS A 34 0.415 -1.945 -3.233 1.00 0.00 N ATOM 0 H LYS A 34 -3.320 -2.366 -7.650 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.125 -4.924 -6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.866 -2.223 -5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.339 -3.659 -4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.232 -4.672 -4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.806 -3.699 -6.187 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.769 -1.678 -4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.128 -2.688 -3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.023 -3.947 -3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.337 -2.919 -5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.002 -1.284 -3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.346 -1.420 -2.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.004 -2.422 -2.520 1.00 0.00 H new ATOM 550 N LYS A 35 -6.493 -2.866 -7.279 1.00 0.00 N ATOM 551 CA LYS A 35 -7.921 -2.652 -7.344 1.00 0.00 C ATOM 552 C LYS A 35 -8.639 -3.888 -7.927 1.00 0.00 C ATOM 553 O LYS A 35 -9.824 -4.087 -7.693 1.00 0.00 O ATOM 554 CB LYS A 35 -8.169 -1.420 -8.210 1.00 0.00 C ATOM 555 CG LYS A 35 -9.613 -1.089 -8.492 1.00 0.00 C ATOM 556 CD LYS A 35 -9.702 0.083 -9.436 1.00 0.00 C ATOM 557 CE LYS A 35 -11.129 0.364 -9.830 1.00 0.00 C ATOM 558 NZ LYS A 35 -11.229 1.530 -10.723 1.00 0.00 N ATOM 0 H LYS A 35 -5.961 -2.207 -7.848 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.322 -2.495 -6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.708 -0.560 -7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.657 -1.560 -9.162 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.114 -1.954 -8.926 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.129 -0.856 -7.561 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.273 0.966 -8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.110 -0.121 -10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.548 -0.511 -10.326 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.726 0.539 -8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.226 1.692 -10.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.852 2.370 -10.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.680 1.353 -11.588 1.00 0.00 H new ATOM 572 N ALA A 36 -7.912 -4.702 -8.679 1.00 0.00 N ATOM 573 CA ALA A 36 -8.475 -5.902 -9.260 1.00 0.00 C ATOM 574 C ALA A 36 -8.755 -6.938 -8.177 1.00 0.00 C ATOM 575 O ALA A 36 -9.885 -7.377 -8.009 1.00 0.00 O ATOM 576 CB ALA A 36 -7.546 -6.475 -10.310 1.00 0.00 C ATOM 0 H ALA A 36 -6.928 -4.548 -8.899 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.417 -5.639 -9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.988 -7.377 -10.734 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.392 -5.740 -11.100 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.588 -6.721 -9.853 1.00 0.00 H new ATOM 582 N ARG A 37 -7.718 -7.305 -7.434 1.00 0.00 N ATOM 583 CA ARG A 37 -7.848 -8.277 -6.345 1.00 0.00 C ATOM 584 C ARG A 37 -6.614 -8.184 -5.486 1.00 0.00 C ATOM 585 O ARG A 37 -6.695 -7.899 -4.320 1.00 0.00 O ATOM 586 CB ARG A 37 -8.007 -9.723 -6.882 1.00 0.00 C ATOM 587 CG ARG A 37 -8.591 -10.757 -5.879 1.00 0.00 C ATOM 588 CD ARG A 37 -7.697 -10.994 -4.666 1.00 0.00 C ATOM 589 NE ARG A 37 -8.274 -11.918 -3.699 1.00 0.00 N ATOM 590 CZ ARG A 37 -8.139 -11.819 -2.367 1.00 0.00 C ATOM 591 NH1 ARG A 37 -7.512 -10.778 -1.826 1.00 0.00 N ATOM 592 NH2 ARG A 37 -8.652 -12.754 -1.582 1.00 0.00 N ATOM 0 H ARG A 37 -6.772 -6.945 -7.563 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.743 -8.046 -5.768 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.650 -9.695 -7.762 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.030 -10.077 -7.212 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.568 -10.412 -5.540 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.749 -11.704 -6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.736 -11.383 -5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.501 -10.041 -4.175 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.822 -12.699 -4.061 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.129 -10.046 -2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.414 -10.712 -0.813 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.148 -13.547 -1.990 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.551 -12.682 -0.570 1.00 0.00 H new ATOM 606 N ARG A 38 -5.481 -8.493 -6.066 1.00 0.00 N ATOM 607 CA ARG A 38 -4.209 -8.403 -5.387 1.00 0.00 C ATOM 608 C ARG A 38 -3.149 -8.302 -6.436 1.00 0.00 C ATOM 609 O ARG A 38 -3.198 -9.043 -7.420 1.00 0.00 O ATOM 610 CB ARG A 38 -3.918 -9.617 -4.463 1.00 0.00 C ATOM 611 CG ARG A 38 -3.762 -10.966 -5.165 1.00 0.00 C ATOM 612 CD ARG A 38 -3.202 -11.999 -4.213 1.00 0.00 C ATOM 613 NE ARG A 38 -3.061 -13.321 -4.833 1.00 0.00 N ATOM 614 CZ ARG A 38 -1.914 -14.026 -4.896 1.00 0.00 C ATOM 615 NH1 ARG A 38 -0.742 -13.452 -4.617 1.00 0.00 N ATOM 616 NH2 ARG A 38 -1.935 -15.274 -5.316 1.00 0.00 N ATOM 0 H ARG A 38 -5.413 -8.817 -7.031 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.227 -7.528 -4.737 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.005 -9.413 -3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.726 -9.698 -3.736 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.728 -11.299 -5.544 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.101 -10.860 -6.025 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.229 -11.665 -3.852 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.854 -12.078 -3.343 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.894 -13.738 -5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.706 -12.468 -4.352 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.118 -13.998 -4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.818 -15.704 -5.592 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.069 -15.810 -5.365 1.00 0.00 H new ATOM 630 N VAL A 39 -2.249 -7.364 -6.291 1.00 0.00 N ATOM 631 CA VAL A 39 -1.175 -7.182 -7.257 1.00 0.00 C ATOM 632 C VAL A 39 0.094 -6.735 -6.545 1.00 0.00 C ATOM 633 O VAL A 39 0.028 -6.018 -5.520 1.00 0.00 O ATOM 634 CB VAL A 39 -1.553 -6.112 -8.348 1.00 0.00 C ATOM 635 CG1 VAL A 39 -0.385 -5.830 -9.287 1.00 0.00 C ATOM 636 CG2 VAL A 39 -2.738 -6.568 -9.179 1.00 0.00 C ATOM 0 H VAL A 39 -2.231 -6.706 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.012 -8.140 -7.752 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.811 -5.200 -7.809 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.684 -5.087 -10.026 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.460 -5.451 -8.713 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.096 -6.750 -9.794 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.975 -5.808 -9.923 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.492 -7.503 -9.681 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.600 -6.721 -8.530 1.00 0.00 H new ATOM 646 N VAL A 40 1.222 -7.189 -7.047 1.00 0.00 N ATOM 647 CA VAL A 40 2.504 -6.800 -6.542 1.00 0.00 C ATOM 648 C VAL A 40 3.108 -5.791 -7.508 1.00 0.00 C ATOM 649 O VAL A 40 2.858 -5.859 -8.723 1.00 0.00 O ATOM 650 CB VAL A 40 3.479 -8.016 -6.342 1.00 0.00 C ATOM 651 CG1 VAL A 40 3.688 -8.794 -7.625 1.00 0.00 C ATOM 652 CG2 VAL A 40 4.826 -7.565 -5.787 1.00 0.00 C ATOM 0 H VAL A 40 1.266 -7.846 -7.826 1.00 0.00 H new ATOM 0 HA VAL A 40 2.364 -6.361 -5.554 1.00 0.00 H new ATOM 0 HB VAL A 40 3.003 -8.676 -5.617 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.369 -9.625 -7.440 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.731 -9.180 -7.976 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.115 -8.137 -8.383 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.476 -8.431 -5.661 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.288 -6.862 -6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.678 -7.079 -4.823 1.00 0.00 H new ATOM 662 N HIS A 41 3.859 -4.863 -6.988 1.00 0.00 N ATOM 663 CA HIS A 41 4.472 -3.852 -7.780 1.00 0.00 C ATOM 664 C HIS A 41 5.867 -3.672 -7.230 1.00 0.00 C ATOM 665 O HIS A 41 6.041 -3.570 -5.995 1.00 0.00 O ATOM 666 CB HIS A 41 3.642 -2.574 -7.648 1.00 0.00 C ATOM 667 CG HIS A 41 3.901 -1.455 -8.641 1.00 0.00 C ATOM 668 ND1 HIS A 41 3.192 -1.292 -9.826 1.00 0.00 N ATOM 669 CD2 HIS A 41 4.752 -0.404 -8.580 1.00 0.00 C ATOM 670 CE1 HIS A 41 3.643 -0.202 -10.428 1.00 0.00 C ATOM 671 NE2 HIS A 41 4.589 0.382 -9.716 1.00 0.00 N ATOM 0 H HIS A 41 4.061 -4.792 -5.991 1.00 0.00 H new ATOM 0 HA HIS A 41 4.524 -4.109 -8.838 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.590 -2.849 -7.721 1.00 0.00 H new ATOM 0 HB3 HIS A 41 3.799 -2.175 -6.646 1.00 0.00 H new ATOM 0 HD1 HIS A 41 2.453 -1.905 -10.171 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.447 -0.207 -7.777 1.00 0.00 H new ATOM 0 HE1 HIS A 41 3.283 0.162 -11.379 1.00 0.00 H new ATOM 679 N ILE A 42 6.846 -3.719 -8.092 1.00 0.00 N ATOM 680 CA ILE A 42 8.219 -3.568 -7.684 1.00 0.00 C ATOM 681 C ILE A 42 8.523 -2.081 -7.510 1.00 0.00 C ATOM 682 O ILE A 42 7.985 -1.256 -8.253 1.00 0.00 O ATOM 683 CB ILE A 42 9.209 -4.231 -8.707 1.00 0.00 C ATOM 684 CG1 ILE A 42 10.658 -4.197 -8.174 1.00 0.00 C ATOM 685 CG2 ILE A 42 9.114 -3.564 -10.084 1.00 0.00 C ATOM 686 CD1 ILE A 42 11.677 -4.850 -9.088 1.00 0.00 C ATOM 0 H ILE A 42 6.717 -3.862 -9.094 1.00 0.00 H new ATOM 0 HA ILE A 42 8.362 -4.084 -6.735 1.00 0.00 H new ATOM 0 HB ILE A 42 8.917 -5.275 -8.824 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.948 -3.159 -8.010 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.687 -4.693 -7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.811 -4.045 -10.770 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.099 -3.665 -10.468 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.364 -2.507 -9.994 1.00 0.00 H new ATOM 0 HD11 ILE A 42 12.667 -4.781 -8.637 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.416 -5.898 -9.233 1.00 0.00 H new ATOM 0 HD13 ILE A 42 11.681 -4.340 -10.051 1.00 0.00 H new ATOM 698 N LYS A 43 9.339 -1.749 -6.506 1.00 0.00 N ATOM 699 CA LYS A 43 9.702 -0.361 -6.187 1.00 0.00 C ATOM 700 C LYS A 43 8.495 0.423 -5.679 1.00 0.00 C ATOM 701 O LYS A 43 7.994 1.296 -6.372 1.00 0.00 O ATOM 702 CB LYS A 43 10.324 0.395 -7.385 1.00 0.00 C ATOM 703 CG LYS A 43 11.603 -0.182 -7.929 1.00 0.00 C ATOM 704 CD LYS A 43 12.074 0.618 -9.120 1.00 0.00 C ATOM 705 CE LYS A 43 13.387 0.095 -9.656 1.00 0.00 C ATOM 706 NZ LYS A 43 13.866 0.900 -10.792 1.00 0.00 N ATOM 0 H LYS A 43 9.769 -2.436 -5.888 1.00 0.00 H new ATOM 0 HA LYS A 43 10.458 -0.430 -5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.590 0.428 -8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.512 1.425 -7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.370 -0.179 -7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.447 -1.221 -8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.319 0.581 -9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.187 1.664 -8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.134 0.103 -8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.266 -0.942 -9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.769 0.514 -11.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.164 0.872 -11.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.005 1.884 -10.486 1.00 0.00 H new ATOM 720 N PRO A 44 7.940 0.067 -4.510 1.00 0.00 N ATOM 721 CA PRO A 44 6.832 0.807 -3.946 1.00 0.00 C ATOM 722 C PRO A 44 7.302 2.082 -3.230 1.00 0.00 C ATOM 723 O PRO A 44 8.513 2.323 -3.065 1.00 0.00 O ATOM 724 CB PRO A 44 6.229 -0.175 -2.957 1.00 0.00 C ATOM 725 CG PRO A 44 7.414 -0.926 -2.472 1.00 0.00 C ATOM 726 CD PRO A 44 8.267 -1.114 -3.685 1.00 0.00 C ATOM 0 HA PRO A 44 6.128 1.149 -4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.714 0.336 -2.144 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.501 -0.832 -3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.944 -0.372 -1.697 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.126 -1.884 -2.038 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.327 -1.148 -3.432 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.033 -2.045 -4.202 1.00 0.00 H new ATOM 734 N GLY A 45 6.346 2.905 -2.847 1.00 0.00 N ATOM 735 CA GLY A 45 6.655 4.127 -2.186 1.00 0.00 C ATOM 736 C GLY A 45 5.410 4.843 -1.766 1.00 0.00 C ATOM 737 O GLY A 45 5.195 6.007 -2.133 1.00 0.00 O ATOM 0 H GLY A 45 5.350 2.736 -2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.274 3.925 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.239 4.765 -2.849 1.00 0.00 H new ATOM 741 N GLU A 46 4.550 4.126 -1.095 1.00 0.00 N ATOM 742 CA GLU A 46 3.321 4.681 -0.554 1.00 0.00 C ATOM 743 C GLU A 46 3.346 4.553 0.934 1.00 0.00 C ATOM 744 O GLU A 46 3.627 3.484 1.485 1.00 0.00 O ATOM 745 CB GLU A 46 2.087 4.032 -1.178 1.00 0.00 C ATOM 746 CG GLU A 46 0.752 4.200 -0.448 1.00 0.00 C ATOM 747 CD GLU A 46 0.228 5.615 -0.408 1.00 0.00 C ATOM 748 OE1 GLU A 46 -0.521 6.002 -1.329 1.00 0.00 O ATOM 749 OE2 GLU A 46 0.526 6.346 0.547 1.00 0.00 O ATOM 0 H GLU A 46 4.676 3.132 -0.902 1.00 0.00 H new ATOM 0 HA GLU A 46 3.256 5.739 -0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.971 4.431 -2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.283 2.964 -1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.008 3.565 -0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.865 3.840 0.575 1.00 0.00 H new ATOM 756 N LYS A 47 3.085 5.640 1.568 1.00 0.00 N ATOM 757 CA LYS A 47 3.110 5.733 2.977 1.00 0.00 C ATOM 758 C LYS A 47 1.784 6.175 3.414 1.00 0.00 C ATOM 759 O LYS A 47 1.530 7.335 3.732 1.00 0.00 O ATOM 760 CB LYS A 47 4.167 6.668 3.410 1.00 0.00 C ATOM 761 CG LYS A 47 5.510 6.257 2.896 1.00 0.00 C ATOM 762 CD LYS A 47 6.264 7.435 2.412 1.00 0.00 C ATOM 763 CE LYS A 47 5.661 8.045 1.171 1.00 0.00 C ATOM 764 NZ LYS A 47 6.311 9.315 0.837 1.00 0.00 N ATOM 0 H LYS A 47 2.841 6.514 1.103 1.00 0.00 H new ATOM 0 HA LYS A 47 3.340 4.768 3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.933 7.672 3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.191 6.712 4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.071 5.759 3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.391 5.537 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.300 8.187 3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.293 7.142 2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.761 7.351 0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.594 8.208 1.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.736 9.825 0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.404 9.894 1.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.254 9.129 0.441 1.00 0.00 H new ATOM 778 N ILE A 48 0.943 5.271 3.294 1.00 0.00 N ATOM 779 CA ILE A 48 -0.422 5.434 3.617 1.00 0.00 C ATOM 780 C ILE A 48 -0.639 5.536 5.092 1.00 0.00 C ATOM 781 O ILE A 48 -0.458 4.576 5.830 1.00 0.00 O ATOM 782 CB ILE A 48 -1.351 4.331 3.046 1.00 0.00 C ATOM 783 CG1 ILE A 48 -0.716 2.924 3.058 1.00 0.00 C ATOM 784 CG2 ILE A 48 -2.012 4.701 1.739 1.00 0.00 C ATOM 785 CD1 ILE A 48 -1.609 1.829 2.509 1.00 0.00 C ATOM 0 H ILE A 48 1.173 4.338 2.952 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.697 6.372 3.134 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.178 4.267 3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.206 2.950 2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.440 2.672 4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.645 3.878 1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.621 5.594 1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.247 4.898 0.988 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.085 0.875 2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.521 1.771 3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.865 2.053 1.473 1.00 0.00 H new ATOM 797 N LEU A 49 -0.915 6.748 5.509 1.00 0.00 N ATOM 798 CA LEU A 49 -1.280 7.156 6.883 1.00 0.00 C ATOM 799 C LEU A 49 -0.199 6.852 7.915 1.00 0.00 C ATOM 800 O LEU A 49 -0.391 7.072 9.107 1.00 0.00 O ATOM 801 CB LEU A 49 -2.630 6.521 7.363 1.00 0.00 C ATOM 802 CG LEU A 49 -3.794 6.315 6.344 1.00 0.00 C ATOM 803 CD1 LEU A 49 -3.895 7.395 5.274 1.00 0.00 C ATOM 804 CD2 LEU A 49 -3.780 4.912 5.765 1.00 0.00 C ATOM 0 H LEU A 49 -0.895 7.543 4.870 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.396 8.238 6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.397 5.547 7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.012 7.143 8.173 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.713 6.426 6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.730 7.172 4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.057 8.363 5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.970 7.423 4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.603 4.801 5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.835 4.740 5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.892 4.185 6.570 1.00 0.00 H new ATOM 816 N GLY A 50 0.922 6.378 7.458 1.00 0.00 N ATOM 817 CA GLY A 50 1.987 5.980 8.343 1.00 0.00 C ATOM 818 C GLY A 50 1.662 4.638 9.014 1.00 0.00 C ATOM 819 O GLY A 50 2.357 4.210 9.945 1.00 0.00 O ATOM 0 H GLY A 50 1.128 6.255 6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.919 5.896 7.784 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.139 6.745 9.104 1.00 0.00 H new ATOM 823 N ALA A 51 0.606 3.987 8.525 1.00 0.00 N ATOM 824 CA ALA A 51 0.106 2.719 9.036 1.00 0.00 C ATOM 825 C ALA A 51 -0.846 2.151 8.006 1.00 0.00 C ATOM 826 O ALA A 51 -1.811 2.820 7.623 1.00 0.00 O ATOM 827 CB ALA A 51 -0.630 2.929 10.352 1.00 0.00 C ATOM 0 H ALA A 51 0.062 4.342 7.739 1.00 0.00 H new ATOM 0 HA ALA A 51 0.936 2.035 9.216 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.997 1.971 10.720 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.051 3.362 11.085 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.471 3.604 10.195 1.00 0.00 H new ATOM 833 N ARG A 52 -0.597 0.940 7.549 1.00 0.00 N ATOM 834 CA ARG A 52 -1.432 0.361 6.519 1.00 0.00 C ATOM 835 C ARG A 52 -2.765 -0.124 7.056 1.00 0.00 C ATOM 836 O ARG A 52 -2.882 -1.243 7.575 1.00 0.00 O ATOM 837 CB ARG A 52 -0.734 -0.766 5.755 1.00 0.00 C ATOM 838 CG ARG A 52 -1.548 -1.282 4.567 1.00 0.00 C ATOM 839 CD ARG A 52 -0.867 -2.443 3.872 1.00 0.00 C ATOM 840 NE ARG A 52 -0.853 -3.662 4.696 1.00 0.00 N ATOM 841 CZ ARG A 52 0.186 -4.507 4.803 1.00 0.00 C ATOM 842 NH1 ARG A 52 1.377 -4.176 4.311 1.00 0.00 N ATOM 843 NH2 ARG A 52 0.036 -5.662 5.436 1.00 0.00 N ATOM 0 H ARG A 52 0.167 0.345 7.870 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.623 1.173 5.818 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.232 -0.410 5.398 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.537 -1.592 6.438 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.534 -1.594 4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.701 -0.472 3.854 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.378 -2.650 2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.157 -2.164 3.624 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.696 -3.882 5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.506 -3.276 3.849 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.161 -4.822 4.396 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.867 -5.908 5.841 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.824 -6.305 5.518 1.00 0.00 H new ATOM 857 N ILE A 53 -3.731 0.729 6.982 1.00 0.00 N ATOM 858 CA ILE A 53 -5.067 0.423 7.366 1.00 0.00 C ATOM 859 C ILE A 53 -5.896 0.624 6.128 1.00 0.00 C ATOM 860 O ILE A 53 -5.968 1.729 5.632 1.00 0.00 O ATOM 861 CB ILE A 53 -5.591 1.372 8.484 1.00 0.00 C ATOM 862 CG1 ILE A 53 -4.703 1.316 9.748 1.00 0.00 C ATOM 863 CG2 ILE A 53 -7.046 1.042 8.838 1.00 0.00 C ATOM 864 CD1 ILE A 53 -4.653 -0.041 10.428 1.00 0.00 C ATOM 0 H ILE A 53 -3.609 1.684 6.644 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.121 -0.591 7.763 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.546 2.389 8.093 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.689 1.609 9.476 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.067 2.053 10.464 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.392 1.717 9.621 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.672 1.161 7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.110 0.013 9.192 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.007 0.015 11.304 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.658 -0.331 10.736 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.258 -0.782 9.733 1.00 0.00 H new ATOM 876 N ILE A 54 -6.455 -0.443 5.605 1.00 0.00 N ATOM 877 CA ILE A 54 -7.271 -0.380 4.392 1.00 0.00 C ATOM 878 C ILE A 54 -8.589 0.353 4.689 1.00 0.00 C ATOM 879 O ILE A 54 -9.169 0.998 3.837 1.00 0.00 O ATOM 880 CB ILE A 54 -7.560 -1.822 3.845 1.00 0.00 C ATOM 881 CG1 ILE A 54 -6.236 -2.554 3.558 1.00 0.00 C ATOM 882 CG2 ILE A 54 -8.427 -1.781 2.583 1.00 0.00 C ATOM 883 CD1 ILE A 54 -6.400 -4.000 3.117 1.00 0.00 C ATOM 0 H ILE A 54 -6.364 -1.380 5.998 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.722 0.170 3.628 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.113 -2.366 4.611 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.695 -2.010 2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.619 -2.529 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.607 -2.797 2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.379 -1.302 2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.913 -1.215 1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.419 -4.439 2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.911 -4.563 3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.988 -4.036 2.200 1.00 0.00 H new ATOM 895 N GLY A 55 -9.055 0.221 5.904 1.00 0.00 N ATOM 896 CA GLY A 55 -10.276 0.880 6.305 1.00 0.00 C ATOM 897 C GLY A 55 -11.434 -0.059 6.192 1.00 0.00 C ATOM 898 O GLY A 55 -12.428 0.068 6.895 1.00 0.00 O ATOM 0 H GLY A 55 -8.610 -0.336 6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.186 1.235 7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.447 1.756 5.679 1.00 0.00 H new ATOM 902 N ILE A 56 -11.290 -1.007 5.313 1.00 0.00 N ATOM 903 CA ILE A 56 -12.272 -2.018 5.101 1.00 0.00 C ATOM 904 C ILE A 56 -11.828 -3.219 5.915 1.00 0.00 C ATOM 905 O ILE A 56 -10.705 -3.686 5.720 1.00 0.00 O ATOM 906 CB ILE A 56 -12.332 -2.413 3.601 1.00 0.00 C ATOM 907 CG1 ILE A 56 -12.591 -1.171 2.736 1.00 0.00 C ATOM 908 CG2 ILE A 56 -13.421 -3.466 3.367 1.00 0.00 C ATOM 909 CD1 ILE A 56 -12.496 -1.430 1.248 1.00 0.00 C ATOM 0 H ILE A 56 -10.469 -1.097 4.714 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.260 -1.665 5.396 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.372 -2.843 3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -13.583 -0.781 2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.874 -0.396 3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -13.449 -3.731 2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -13.201 -4.355 3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -14.388 -3.062 3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -12.691 -0.506 0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -11.496 -1.790 1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -13.232 -2.181 0.962 1.00 0.00 H new ATOM 921 N PRO A 57 -12.642 -3.683 6.876 1.00 0.00 N ATOM 922 CA PRO A 57 -12.311 -4.847 7.715 1.00 0.00 C ATOM 923 C PRO A 57 -12.257 -6.143 6.895 1.00 0.00 C ATOM 924 O PRO A 57 -13.284 -6.610 6.390 1.00 0.00 O ATOM 925 CB PRO A 57 -13.476 -4.920 8.714 1.00 0.00 C ATOM 926 CG PRO A 57 -14.137 -3.593 8.640 1.00 0.00 C ATOM 927 CD PRO A 57 -13.944 -3.117 7.239 1.00 0.00 C ATOM 0 HA PRO A 57 -11.332 -4.742 8.184 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.169 -5.720 8.453 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.117 -5.125 9.723 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.197 -3.670 8.884 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -13.696 -2.897 9.353 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -14.736 -3.471 6.579 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.942 -2.029 7.179 1.00 0.00 H new ATOM 935 N PRO A 58 -11.073 -6.714 6.694 1.00 0.00 N ATOM 936 CA PRO A 58 -10.918 -7.919 5.943 1.00 0.00 C ATOM 937 C PRO A 58 -10.580 -9.126 6.830 1.00 0.00 C ATOM 938 O PRO A 58 -10.630 -9.059 8.075 1.00 0.00 O ATOM 939 CB PRO A 58 -9.693 -7.559 5.096 1.00 0.00 C ATOM 940 CG PRO A 58 -8.857 -6.660 5.986 1.00 0.00 C ATOM 941 CD PRO A 58 -9.760 -6.208 7.124 1.00 0.00 C ATOM 0 HA PRO A 58 -11.818 -8.208 5.399 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.139 -8.451 4.803 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.983 -7.048 4.178 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.989 -7.195 6.370 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.481 -5.803 5.427 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.453 -6.631 8.081 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.759 -5.124 7.240 1.00 0.00 H new ATOM 949 N VAL A 59 -10.283 -10.219 6.179 1.00 0.00 N ATOM 950 CA VAL A 59 -9.850 -11.420 6.842 1.00 0.00 C ATOM 951 C VAL A 59 -8.356 -11.216 7.120 1.00 0.00 C ATOM 952 O VAL A 59 -7.586 -11.080 6.176 1.00 0.00 O ATOM 953 CB VAL A 59 -10.040 -12.651 5.911 1.00 0.00 C ATOM 954 CG1 VAL A 59 -9.590 -13.931 6.593 1.00 0.00 C ATOM 955 CG2 VAL A 59 -11.491 -12.770 5.471 1.00 0.00 C ATOM 0 H VAL A 59 -10.335 -10.301 5.164 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.421 -11.603 7.752 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.417 -12.500 5.029 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.735 -14.774 5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.535 -13.853 6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.177 -14.087 7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.604 -13.637 4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -12.128 -12.888 6.347 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.782 -11.870 4.930 1.00 0.00 H new ATOM 965 N PRO A 60 -7.929 -11.111 8.387 1.00 0.00 N ATOM 966 CA PRO A 60 -6.556 -10.796 8.712 1.00 0.00 C ATOM 967 C PRO A 60 -5.634 -12.007 8.704 1.00 0.00 C ATOM 968 O PRO A 60 -5.472 -12.702 9.720 1.00 0.00 O ATOM 969 CB PRO A 60 -6.634 -10.172 10.118 1.00 0.00 C ATOM 970 CG PRO A 60 -8.076 -10.292 10.532 1.00 0.00 C ATOM 971 CD PRO A 60 -8.711 -11.288 9.596 1.00 0.00 C ATOM 0 HA PRO A 60 -6.124 -10.130 7.965 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.980 -10.695 10.816 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.315 -9.130 10.103 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.156 -10.627 11.566 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.579 -9.327 10.470 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.645 -12.306 9.979 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.768 -11.077 9.432 1.00 0.00 H new ATOM 979 N ILE A 61 -5.118 -12.306 7.547 1.00 0.00 N ATOM 980 CA ILE A 61 -4.177 -13.375 7.350 1.00 0.00 C ATOM 981 C ILE A 61 -3.074 -12.801 6.474 1.00 0.00 C ATOM 982 O ILE A 61 -3.335 -11.896 5.688 1.00 0.00 O ATOM 983 CB ILE A 61 -4.852 -14.620 6.654 1.00 0.00 C ATOM 984 CG1 ILE A 61 -5.964 -15.202 7.550 1.00 0.00 C ATOM 985 CG2 ILE A 61 -3.825 -15.704 6.305 1.00 0.00 C ATOM 986 CD1 ILE A 61 -6.717 -16.368 6.944 1.00 0.00 C ATOM 0 H ILE A 61 -5.345 -11.801 6.691 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.790 -13.735 8.303 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.294 -14.273 5.720 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.522 -15.523 8.493 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.675 -14.410 7.785 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.330 -16.544 5.828 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.080 -15.294 5.623 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.334 -16.046 7.216 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.479 -16.712 7.644 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.193 -16.051 6.016 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.022 -17.181 6.736 1.00 0.00 H new ATOM 998 N GLY A 62 -1.863 -13.250 6.632 1.00 0.00 N ATOM 999 CA GLY A 62 -0.816 -12.752 5.801 1.00 0.00 C ATOM 1000 C GLY A 62 0.534 -13.000 6.386 1.00 0.00 C ATOM 1001 O GLY A 62 0.657 -13.176 7.607 1.00 0.00 O ATOM 0 H GLY A 62 -1.582 -13.950 7.319 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.877 -13.224 4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.953 -11.681 5.649 1.00 0.00 H new ATOM 1005 N ILE A 63 1.543 -13.064 5.540 1.00 0.00 N ATOM 1006 CA ILE A 63 2.908 -13.268 5.995 1.00 0.00 C ATOM 1007 C ILE A 63 3.826 -12.345 5.197 1.00 0.00 C ATOM 1008 O ILE A 63 3.660 -12.209 3.986 1.00 0.00 O ATOM 1009 CB ILE A 63 3.435 -14.759 5.810 1.00 0.00 C ATOM 1010 CG1 ILE A 63 2.512 -15.841 6.435 1.00 0.00 C ATOM 1011 CG2 ILE A 63 4.835 -14.910 6.391 1.00 0.00 C ATOM 1012 CD1 ILE A 63 1.292 -16.214 5.602 1.00 0.00 C ATOM 0 H ILE A 63 1.444 -12.977 4.528 1.00 0.00 H new ATOM 0 HA ILE A 63 2.916 -13.053 7.064 1.00 0.00 H new ATOM 0 HB ILE A 63 3.442 -14.928 4.733 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.101 -16.741 6.610 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.173 -15.488 7.409 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.177 -15.936 6.254 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.516 -14.229 5.880 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.815 -14.673 7.455 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.714 -16.976 6.125 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.673 -15.330 5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.616 -16.603 4.637 1.00 0.00 H new ATOM 1024 N ASP A 64 4.745 -11.689 5.865 1.00 0.00 N ATOM 1025 CA ASP A 64 5.713 -10.829 5.199 1.00 0.00 C ATOM 1026 C ASP A 64 7.022 -11.562 5.112 1.00 0.00 C ATOM 1027 O ASP A 64 7.688 -11.752 6.132 1.00 0.00 O ATOM 1028 CB ASP A 64 5.941 -9.495 5.951 1.00 0.00 C ATOM 1029 CG ASP A 64 4.825 -8.488 5.817 1.00 0.00 C ATOM 1030 OD1 ASP A 64 3.815 -8.565 6.568 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.944 -7.574 4.983 1.00 0.00 O ATOM 0 H ASP A 64 4.849 -11.731 6.879 1.00 0.00 H new ATOM 0 HA ASP A 64 5.319 -10.587 4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.089 -9.712 7.009 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.864 -9.043 5.587 1.00 0.00 H new ATOM 1036 N GLU A 65 7.387 -12.009 3.925 1.00 0.00 N ATOM 1037 CA GLU A 65 8.653 -12.708 3.728 1.00 0.00 C ATOM 1038 C GLU A 65 9.796 -11.799 4.054 1.00 0.00 C ATOM 1039 O GLU A 65 10.606 -12.080 4.943 1.00 0.00 O ATOM 1040 CB GLU A 65 8.789 -13.202 2.290 1.00 0.00 C ATOM 1041 CG GLU A 65 8.180 -14.558 2.017 1.00 0.00 C ATOM 1042 CD GLU A 65 6.767 -14.713 2.500 1.00 0.00 C ATOM 1043 OE1 GLU A 65 5.853 -14.162 1.884 1.00 0.00 O ATOM 1044 OE2 GLU A 65 6.556 -15.476 3.458 1.00 0.00 O ATOM 0 H GLU A 65 6.827 -11.903 3.079 1.00 0.00 H new ATOM 0 HA GLU A 65 8.669 -13.571 4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.325 -12.472 1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.848 -13.238 2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.206 -14.745 0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.798 -15.322 2.489 1.00 0.00 H new ATOM 1051 N GLU A 66 9.828 -10.702 3.380 1.00 0.00 N ATOM 1052 CA GLU A 66 10.843 -9.732 3.549 1.00 0.00 C ATOM 1053 C GLU A 66 10.284 -8.472 2.940 1.00 0.00 C ATOM 1054 O GLU A 66 9.220 -8.518 2.325 1.00 0.00 O ATOM 1055 CB GLU A 66 12.110 -10.177 2.794 1.00 0.00 C ATOM 1056 CG GLU A 66 13.426 -9.848 3.480 1.00 0.00 C ATOM 1057 CD GLU A 66 13.556 -8.421 3.837 1.00 0.00 C ATOM 1058 OE1 GLU A 66 13.884 -7.606 2.960 1.00 0.00 O ATOM 1059 OE2 GLU A 66 13.227 -8.075 4.986 1.00 0.00 O ATOM 0 H GLU A 66 9.130 -10.452 2.680 1.00 0.00 H new ATOM 0 HA GLU A 66 11.118 -9.589 4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.060 -11.255 2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.107 -9.712 1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.518 -10.451 4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.250 -10.128 2.824 1.00 0.00 H new ATOM 1066 N ARG A 67 10.962 -7.376 3.092 1.00 0.00 N ATOM 1067 CA ARG A 67 10.515 -6.165 2.510 1.00 0.00 C ATOM 1068 C ARG A 67 11.022 -6.066 1.095 1.00 0.00 C ATOM 1069 O ARG A 67 10.346 -5.562 0.191 1.00 0.00 O ATOM 1070 CB ARG A 67 10.938 -4.950 3.330 1.00 0.00 C ATOM 1071 CG ARG A 67 10.418 -3.646 2.760 1.00 0.00 C ATOM 1072 CD ARG A 67 8.937 -3.772 2.467 1.00 0.00 C ATOM 1073 NE ARG A 67 8.164 -4.214 3.657 1.00 0.00 N ATOM 1074 CZ ARG A 67 7.232 -5.196 3.664 1.00 0.00 C ATOM 1075 NH1 ARG A 67 6.861 -5.797 2.528 1.00 0.00 N ATOM 1076 NH2 ARG A 67 6.685 -5.572 4.804 1.00 0.00 N ATOM 0 H ARG A 67 11.832 -7.304 3.619 1.00 0.00 H new ATOM 0 HA ARG A 67 9.425 -6.173 2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.577 -5.064 4.352 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.026 -4.911 3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.591 -2.834 3.467 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.959 -3.395 1.848 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.554 -2.811 2.123 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.788 -4.484 1.655 1.00 0.00 H new ATOM 0 HE ARG A 67 8.351 -3.739 4.540 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.281 -5.517 1.642 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.158 -6.535 2.548 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.965 -5.123 5.676 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.983 -6.311 4.813 1.00 0.00 H new ATOM 1090 N SER A 68 12.183 -6.571 0.901 1.00 0.00 N ATOM 1091 CA SER A 68 12.789 -6.586 -0.390 1.00 0.00 C ATOM 1092 C SER A 68 12.408 -7.889 -1.128 1.00 0.00 C ATOM 1093 O SER A 68 13.107 -8.387 -2.019 1.00 0.00 O ATOM 1094 CB SER A 68 14.307 -6.381 -0.248 1.00 0.00 C ATOM 1095 OG SER A 68 14.945 -6.259 -1.509 1.00 0.00 O ATOM 0 H SER A 68 12.750 -6.991 1.637 1.00 0.00 H new ATOM 0 HA SER A 68 12.418 -5.763 -1.001 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.499 -5.486 0.344 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.737 -7.221 0.297 1.00 0.00 H new ATOM 0 HG SER A 68 14.327 -5.850 -2.150 1.00 0.00 H new ATOM 1101 N THR A 69 11.256 -8.364 -0.799 1.00 0.00 N ATOM 1102 CA THR A 69 10.690 -9.555 -1.332 1.00 0.00 C ATOM 1103 C THR A 69 9.184 -9.343 -1.238 1.00 0.00 C ATOM 1104 O THR A 69 8.747 -8.387 -0.585 1.00 0.00 O ATOM 1105 CB THR A 69 11.138 -10.797 -0.478 1.00 0.00 C ATOM 1106 OG1 THR A 69 12.579 -10.822 -0.384 1.00 0.00 O ATOM 1107 CG2 THR A 69 10.676 -12.121 -1.090 1.00 0.00 C ATOM 0 H THR A 69 10.652 -7.908 -0.115 1.00 0.00 H new ATOM 0 HA THR A 69 11.009 -9.750 -2.356 1.00 0.00 H new ATOM 0 HB THR A 69 10.678 -10.693 0.505 1.00 0.00 H new ATOM 0 HG1 THR A 69 12.859 -11.595 0.149 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.010 -12.948 -0.463 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.588 -12.132 -1.155 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.100 -12.228 -2.088 1.00 0.00 H new ATOM 1115 N VAL A 70 8.413 -10.154 -1.904 1.00 0.00 N ATOM 1116 CA VAL A 70 6.981 -10.047 -1.833 1.00 0.00 C ATOM 1117 C VAL A 70 6.489 -10.501 -0.482 1.00 0.00 C ATOM 1118 O VAL A 70 7.166 -11.244 0.238 1.00 0.00 O ATOM 1119 CB VAL A 70 6.273 -10.876 -2.941 1.00 0.00 C ATOM 1120 CG1 VAL A 70 6.644 -10.353 -4.302 1.00 0.00 C ATOM 1121 CG2 VAL A 70 6.603 -12.364 -2.831 1.00 0.00 C ATOM 0 H VAL A 70 8.754 -10.903 -2.507 1.00 0.00 H new ATOM 0 HA VAL A 70 6.733 -8.997 -1.988 1.00 0.00 H new ATOM 0 HB VAL A 70 5.198 -10.767 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.141 -10.943 -5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.337 -9.311 -4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.723 -10.426 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.090 -12.910 -3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.679 -12.506 -2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.276 -12.738 -1.861 1.00 0.00 H new ATOM 1131 N MET A 71 5.361 -10.028 -0.144 1.00 0.00 N ATOM 1132 CA MET A 71 4.706 -10.380 1.068 1.00 0.00 C ATOM 1133 C MET A 71 3.385 -10.950 0.656 1.00 0.00 C ATOM 1134 O MET A 71 2.829 -10.521 -0.353 1.00 0.00 O ATOM 1135 CB MET A 71 4.520 -9.136 1.960 1.00 0.00 C ATOM 1136 CG MET A 71 3.674 -8.026 1.330 1.00 0.00 C ATOM 1137 SD MET A 71 3.591 -6.539 2.345 1.00 0.00 S ATOM 1138 CE MET A 71 2.521 -5.507 1.354 1.00 0.00 C ATOM 0 H MET A 71 4.840 -9.362 -0.714 1.00 0.00 H new ATOM 0 HA MET A 71 5.283 -11.096 1.652 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.056 -9.442 2.897 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.501 -8.732 2.208 1.00 0.00 H new ATOM 0 HG2 MET A 71 4.088 -7.770 0.355 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.664 -8.399 1.159 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.787 -4.460 1.501 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.637 -5.767 0.302 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.485 -5.663 1.654 1.00 0.00 H new ATOM 1148 N ILE A 72 2.888 -11.895 1.364 1.00 0.00 N ATOM 1149 CA ILE A 72 1.649 -12.488 0.975 1.00 0.00 C ATOM 1150 C ILE A 72 0.577 -12.294 2.038 1.00 0.00 C ATOM 1151 O ILE A 72 0.440 -13.089 2.972 1.00 0.00 O ATOM 1152 CB ILE A 72 1.800 -13.990 0.549 1.00 0.00 C ATOM 1153 CG1 ILE A 72 0.458 -14.614 0.117 1.00 0.00 C ATOM 1154 CG2 ILE A 72 2.487 -14.834 1.617 1.00 0.00 C ATOM 1155 CD1 ILE A 72 -0.174 -13.954 -1.096 1.00 0.00 C ATOM 0 H ILE A 72 3.310 -12.277 2.210 1.00 0.00 H new ATOM 0 HA ILE A 72 1.317 -11.958 0.082 1.00 0.00 H new ATOM 0 HB ILE A 72 2.452 -13.989 -0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.614 -15.671 -0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.241 -14.559 0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.566 -15.865 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.484 -14.438 1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.902 -14.804 2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.114 -14.453 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.365 -12.903 -0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.503 -14.032 -1.947 1.00 0.00 H new ATOM 1167 N PRO A 73 -0.143 -11.186 1.978 1.00 0.00 N ATOM 1168 CA PRO A 73 -1.206 -10.943 2.881 1.00 0.00 C ATOM 1169 C PRO A 73 -2.480 -11.538 2.318 1.00 0.00 C ATOM 1170 O PRO A 73 -2.906 -11.193 1.208 1.00 0.00 O ATOM 1171 CB PRO A 73 -1.286 -9.410 2.965 1.00 0.00 C ATOM 1172 CG PRO A 73 -0.366 -8.887 1.892 1.00 0.00 C ATOM 1173 CD PRO A 73 0.030 -10.066 1.049 1.00 0.00 C ATOM 0 HA PRO A 73 -1.059 -11.389 3.865 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.307 -9.063 2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.978 -9.057 3.949 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.867 -8.130 1.288 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.512 -8.414 2.332 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.604 -10.167 0.168 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.058 -9.986 0.695 1.00 0.00 H new ATOM 1181 N TYR A 74 -3.076 -12.442 3.026 1.00 0.00 N ATOM 1182 CA TYR A 74 -4.258 -13.033 2.536 1.00 0.00 C ATOM 1183 C TYR A 74 -5.407 -12.379 3.189 1.00 0.00 C ATOM 1184 O TYR A 74 -5.872 -12.792 4.251 1.00 0.00 O ATOM 1185 CB TYR A 74 -4.332 -14.541 2.693 1.00 0.00 C ATOM 1186 CG TYR A 74 -5.510 -15.106 1.929 1.00 0.00 C ATOM 1187 CD1 TYR A 74 -5.497 -15.120 0.543 1.00 0.00 C ATOM 1188 CD2 TYR A 74 -6.651 -15.566 2.580 1.00 0.00 C ATOM 1189 CE1 TYR A 74 -6.572 -15.581 -0.175 1.00 0.00 C ATOM 1190 CE2 TYR A 74 -7.737 -16.024 1.861 1.00 0.00 C ATOM 1191 CZ TYR A 74 -7.687 -16.029 0.481 1.00 0.00 C ATOM 1192 OH TYR A 74 -8.764 -16.478 -0.245 1.00 0.00 O ATOM 0 H TYR A 74 -2.760 -12.778 3.936 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.271 -12.875 1.458 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.408 -14.994 2.332 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.422 -14.797 3.749 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.624 -14.761 0.018 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.687 -15.565 3.659 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.538 -15.590 -1.254 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.620 -16.376 2.374 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.372 -16.972 0.344 1.00 0.00 H new ATOM 1202 N THR A 75 -5.808 -11.326 2.616 1.00 0.00 N ATOM 1203 CA THR A 75 -6.850 -10.583 3.140 1.00 0.00 C ATOM 1204 C THR A 75 -7.966 -10.536 2.129 1.00 0.00 C ATOM 1205 O THR A 75 -7.732 -10.726 0.927 1.00 0.00 O ATOM 1206 CB THR A 75 -6.368 -9.153 3.473 1.00 0.00 C ATOM 1207 OG1 THR A 75 -5.724 -8.576 2.315 1.00 0.00 O ATOM 1208 CG2 THR A 75 -5.389 -9.148 4.645 1.00 0.00 C ATOM 0 H THR A 75 -5.410 -10.954 1.754 1.00 0.00 H new ATOM 0 HA THR A 75 -7.208 -11.045 4.060 1.00 0.00 H new ATOM 0 HB THR A 75 -7.241 -8.564 3.754 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.421 -7.669 2.528 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.072 -8.125 4.850 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.877 -9.561 5.528 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.519 -9.754 4.395 1.00 0.00 H new ATOM 1216 N LYS A 76 -9.164 -10.355 2.591 1.00 0.00 N ATOM 1217 CA LYS A 76 -10.292 -10.219 1.699 1.00 0.00 C ATOM 1218 C LYS A 76 -10.976 -8.888 1.942 1.00 0.00 C ATOM 1219 O LYS A 76 -11.863 -8.787 2.794 1.00 0.00 O ATOM 1220 CB LYS A 76 -11.307 -11.373 1.819 1.00 0.00 C ATOM 1221 CG LYS A 76 -10.792 -12.728 1.364 1.00 0.00 C ATOM 1222 CD LYS A 76 -11.896 -13.777 1.409 1.00 0.00 C ATOM 1223 CE LYS A 76 -11.404 -15.118 0.895 1.00 0.00 C ATOM 1224 NZ LYS A 76 -12.452 -16.155 0.927 1.00 0.00 N ATOM 0 H LYS A 76 -9.395 -10.297 3.583 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.901 -10.261 0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.624 -11.452 2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.192 -11.122 1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.401 -12.650 0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.964 -13.039 2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.255 -13.887 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.742 -13.443 0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.044 -15.002 -0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.556 -15.445 1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.065 -17.051 0.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.779 -16.288 1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.252 -15.859 0.332 1.00 0.00 H new ATOM 1238 N PRO A 77 -10.494 -7.815 1.305 1.00 0.00 N ATOM 1239 CA PRO A 77 -11.097 -6.516 1.416 1.00 0.00 C ATOM 1240 C PRO A 77 -12.115 -6.327 0.294 1.00 0.00 C ATOM 1241 O PRO A 77 -12.377 -7.259 -0.483 1.00 0.00 O ATOM 1242 CB PRO A 77 -9.903 -5.553 1.231 1.00 0.00 C ATOM 1243 CG PRO A 77 -8.744 -6.408 0.780 1.00 0.00 C ATOM 1244 CD PRO A 77 -9.305 -7.762 0.446 1.00 0.00 C ATOM 0 HA PRO A 77 -11.627 -6.358 2.355 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -10.132 -4.785 0.492 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.669 -5.039 2.163 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.254 -5.968 -0.089 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.992 -6.484 1.565 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.560 -7.850 -0.610 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.601 -8.563 0.672 1.00 0.00 H new ATOM 1252 N CYS A 78 -12.698 -5.165 0.196 1.00 0.00 N ATOM 1253 CA CYS A 78 -13.630 -4.929 -0.881 1.00 0.00 C ATOM 1254 C CYS A 78 -12.917 -4.188 -2.022 1.00 0.00 C ATOM 1255 O CYS A 78 -13.452 -4.022 -3.111 1.00 0.00 O ATOM 1256 CB CYS A 78 -14.873 -4.186 -0.374 1.00 0.00 C ATOM 1257 SG CYS A 78 -16.192 -3.984 -1.593 1.00 0.00 S ATOM 0 H CYS A 78 -12.552 -4.380 0.831 1.00 0.00 H new ATOM 0 HA CYS A 78 -13.985 -5.881 -1.276 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -15.273 -4.723 0.486 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -14.570 -3.200 -0.022 1.00 0.00 H new ATOM 0 HG CYS A 78 -15.678 -3.947 -2.786 1.00 0.00 H new ATOM 1263 N TYR A 79 -11.694 -3.758 -1.756 1.00 0.00 N ATOM 1264 CA TYR A 79 -10.892 -3.098 -2.762 1.00 0.00 C ATOM 1265 C TYR A 79 -9.904 -4.115 -3.320 1.00 0.00 C ATOM 1266 O TYR A 79 -10.205 -4.811 -4.299 1.00 0.00 O ATOM 1267 CB TYR A 79 -10.177 -1.843 -2.188 1.00 0.00 C ATOM 1268 CG TYR A 79 -9.333 -1.054 -3.195 1.00 0.00 C ATOM 1269 CD1 TYR A 79 -9.931 -0.257 -4.163 1.00 0.00 C ATOM 1270 CD2 TYR A 79 -7.939 -1.094 -3.155 1.00 0.00 C ATOM 1271 CE1 TYR A 79 -9.173 0.472 -5.061 1.00 0.00 C ATOM 1272 CE2 TYR A 79 -7.174 -0.368 -4.053 1.00 0.00 C ATOM 1273 CZ TYR A 79 -7.796 0.415 -5.003 1.00 0.00 C ATOM 1274 OH TYR A 79 -7.037 1.146 -5.906 1.00 0.00 O ATOM 0 H TYR A 79 -11.238 -3.857 -0.849 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.530 -2.733 -3.567 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.930 -1.176 -1.768 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.534 -2.156 -1.365 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.009 -0.206 -4.215 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.447 -1.702 -2.410 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.658 1.085 -5.806 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.096 -0.415 -4.010 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.263 0.615 -6.187 1.00 0.00 H new ATOM 1284 N GLY A 80 -8.791 -4.285 -2.641 1.00 0.00 N ATOM 1285 CA GLY A 80 -7.813 -5.219 -3.075 1.00 0.00 C ATOM 1286 C GLY A 80 -6.707 -5.344 -2.077 1.00 0.00 C ATOM 1287 O GLY A 80 -6.610 -4.538 -1.144 1.00 0.00 O ATOM 0 H GLY A 80 -8.554 -3.781 -1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.279 -6.192 -3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.406 -4.904 -4.036 1.00 0.00 H new ATOM 1291 N THR A 81 -5.912 -6.343 -2.252 1.00 0.00 N ATOM 1292 CA THR A 81 -4.803 -6.623 -1.420 1.00 0.00 C ATOM 1293 C THR A 81 -3.544 -6.083 -2.079 1.00 0.00 C ATOM 1294 O THR A 81 -3.412 -6.076 -3.315 1.00 0.00 O ATOM 1295 CB THR A 81 -4.692 -8.138 -1.180 1.00 0.00 C ATOM 1296 OG1 THR A 81 -5.944 -8.631 -0.664 1.00 0.00 O ATOM 1297 CG2 THR A 81 -3.586 -8.464 -0.190 1.00 0.00 C ATOM 0 H THR A 81 -6.026 -7.013 -3.013 1.00 0.00 H new ATOM 0 HA THR A 81 -4.933 -6.140 -0.452 1.00 0.00 H new ATOM 0 HB THR A 81 -4.455 -8.615 -2.131 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.916 -8.632 0.316 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.535 -9.543 -0.044 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.633 -8.105 -0.578 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.796 -7.978 0.763 1.00 0.00 H new ATOM 1305 N ALA A 82 -2.637 -5.657 -1.268 1.00 0.00 N ATOM 1306 CA ALA A 82 -1.444 -5.061 -1.713 1.00 0.00 C ATOM 1307 C ALA A 82 -0.246 -5.939 -1.454 1.00 0.00 C ATOM 1308 O ALA A 82 -0.030 -6.387 -0.338 1.00 0.00 O ATOM 1309 CB ALA A 82 -1.263 -3.760 -0.962 1.00 0.00 C ATOM 0 H ALA A 82 -2.716 -5.720 -0.253 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.516 -4.901 -2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.343 -3.276 -1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.109 -3.103 -1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.206 -3.962 0.108 1.00 0.00 H new ATOM 1315 N VAL A 83 0.497 -6.197 -2.479 1.00 0.00 N ATOM 1316 CA VAL A 83 1.721 -6.932 -2.389 1.00 0.00 C ATOM 1317 C VAL A 83 2.765 -5.978 -2.938 1.00 0.00 C ATOM 1318 O VAL A 83 2.552 -5.371 -3.980 1.00 0.00 O ATOM 1319 CB VAL A 83 1.676 -8.231 -3.245 1.00 0.00 C ATOM 1320 CG1 VAL A 83 2.953 -9.034 -3.068 1.00 0.00 C ATOM 1321 CG2 VAL A 83 0.462 -9.084 -2.884 1.00 0.00 C ATOM 0 H VAL A 83 0.267 -5.897 -3.426 1.00 0.00 H new ATOM 0 HA VAL A 83 1.927 -7.254 -1.368 1.00 0.00 H new ATOM 0 HB VAL A 83 1.589 -7.938 -4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.901 -9.938 -3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.807 -8.434 -3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.069 -9.307 -2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.455 -9.985 -3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.513 -9.362 -1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.450 -8.515 -3.066 1.00 0.00 H new ATOM 1331 N VAL A 84 3.819 -5.745 -2.220 1.00 0.00 N ATOM 1332 CA VAL A 84 4.826 -4.808 -2.676 1.00 0.00 C ATOM 1333 C VAL A 84 6.175 -5.482 -2.596 1.00 0.00 C ATOM 1334 O VAL A 84 6.397 -6.309 -1.703 1.00 0.00 O ATOM 1335 CB VAL A 84 4.815 -3.448 -1.850 1.00 0.00 C ATOM 1336 CG1 VAL A 84 3.430 -2.834 -1.826 1.00 0.00 C ATOM 1337 CG2 VAL A 84 5.355 -3.621 -0.428 1.00 0.00 C ATOM 0 H VAL A 84 4.014 -6.182 -1.319 1.00 0.00 H new ATOM 0 HA VAL A 84 4.603 -4.531 -3.707 1.00 0.00 H new ATOM 0 HB VAL A 84 5.489 -2.765 -2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.453 -1.906 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.107 -2.624 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.732 -3.529 -1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.325 -2.663 0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.741 -4.344 0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.384 -3.979 -0.470 1.00 0.00 H new ATOM 1347 N GLU A 85 7.033 -5.202 -3.540 1.00 0.00 N ATOM 1348 CA GLU A 85 8.351 -5.774 -3.538 1.00 0.00 C ATOM 1349 C GLU A 85 9.341 -4.668 -3.769 1.00 0.00 C ATOM 1350 O GLU A 85 9.358 -4.045 -4.833 1.00 0.00 O ATOM 1351 CB GLU A 85 8.505 -6.815 -4.640 1.00 0.00 C ATOM 1352 CG GLU A 85 9.796 -7.605 -4.546 1.00 0.00 C ATOM 1353 CD GLU A 85 10.068 -8.444 -5.762 1.00 0.00 C ATOM 1354 OE1 GLU A 85 9.304 -9.378 -6.049 1.00 0.00 O ATOM 1355 OE2 GLU A 85 11.090 -8.214 -6.433 1.00 0.00 O ATOM 0 H GLU A 85 6.841 -4.578 -4.324 1.00 0.00 H new ATOM 0 HA GLU A 85 8.522 -6.266 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.662 -7.505 -4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.462 -6.317 -5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.626 -6.915 -4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.756 -8.251 -3.669 1.00 0.00 H new ATOM 1362 N LEU A 86 10.127 -4.385 -2.800 1.00 0.00 N ATOM 1363 CA LEU A 86 11.105 -3.360 -2.942 1.00 0.00 C ATOM 1364 C LEU A 86 12.419 -4.031 -3.356 1.00 0.00 C ATOM 1365 O LEU A 86 12.782 -5.038 -2.799 1.00 0.00 O ATOM 1366 CB LEU A 86 11.266 -2.632 -1.615 1.00 0.00 C ATOM 1367 CG LEU A 86 12.153 -1.393 -1.625 1.00 0.00 C ATOM 1368 CD1 LEU A 86 11.489 -0.227 -2.346 1.00 0.00 C ATOM 1369 CD2 LEU A 86 12.557 -1.017 -0.223 1.00 0.00 C ATOM 0 H LEU A 86 10.117 -4.849 -1.891 1.00 0.00 H new ATOM 0 HA LEU A 86 10.808 -2.630 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.276 -2.341 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.669 -3.335 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 86 13.057 -1.636 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.154 0.636 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.283 -0.508 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.555 0.026 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.190 -0.130 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.666 -0.808 0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.108 -1.841 0.230 1.00 0.00 H new ATOM 1381 N PRO A 87 13.124 -3.526 -4.361 1.00 0.00 N ATOM 1382 CA PRO A 87 14.395 -4.126 -4.787 1.00 0.00 C ATOM 1383 C PRO A 87 15.557 -3.732 -3.861 1.00 0.00 C ATOM 1384 O PRO A 87 16.653 -4.292 -3.939 1.00 0.00 O ATOM 1385 CB PRO A 87 14.596 -3.551 -6.184 1.00 0.00 C ATOM 1386 CG PRO A 87 13.901 -2.236 -6.154 1.00 0.00 C ATOM 1387 CD PRO A 87 12.748 -2.374 -5.196 1.00 0.00 C ATOM 0 HA PRO A 87 14.372 -5.215 -4.762 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.655 -3.434 -6.416 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.173 -4.205 -6.946 1.00 0.00 H new ATOM 0 HG2 PRO A 87 14.580 -1.447 -5.830 1.00 0.00 H new ATOM 0 HG3 PRO A 87 13.547 -1.963 -7.148 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.614 -1.473 -4.598 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.809 -2.550 -5.722 1.00 0.00 H new ATOM 1395 N VAL A 88 15.289 -2.803 -2.982 1.00 0.00 N ATOM 1396 CA VAL A 88 16.265 -2.294 -2.055 1.00 0.00 C ATOM 1397 C VAL A 88 15.978 -2.931 -0.709 1.00 0.00 C ATOM 1398 O VAL A 88 14.842 -3.346 -0.458 1.00 0.00 O ATOM 1399 CB VAL A 88 16.145 -0.746 -1.910 1.00 0.00 C ATOM 1400 CG1 VAL A 88 17.310 -0.147 -1.125 1.00 0.00 C ATOM 1401 CG2 VAL A 88 15.997 -0.068 -3.262 1.00 0.00 C ATOM 0 H VAL A 88 14.370 -2.371 -2.888 1.00 0.00 H new ATOM 0 HA VAL A 88 17.268 -2.527 -2.412 1.00 0.00 H new ATOM 0 HB VAL A 88 15.237 -0.557 -1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 88 17.182 0.933 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 88 17.335 -0.579 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 88 18.246 -0.367 -1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.916 1.010 -3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.869 -0.289 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 88 15.100 -0.438 -3.758 1.00 0.00 H new ATOM 1411 N ASP A 89 16.986 -3.006 0.126 1.00 0.00 N ATOM 1412 CA ASP A 89 16.888 -3.592 1.460 1.00 0.00 C ATOM 1413 C ASP A 89 15.839 -2.855 2.319 1.00 0.00 C ATOM 1414 O ASP A 89 15.540 -1.676 2.071 1.00 0.00 O ATOM 1415 CB ASP A 89 18.258 -3.545 2.164 1.00 0.00 C ATOM 1416 CG ASP A 89 19.316 -4.401 1.518 1.00 0.00 C ATOM 1417 OD1 ASP A 89 19.969 -3.944 0.564 1.00 0.00 O ATOM 1418 OD2 ASP A 89 19.542 -5.538 1.962 1.00 0.00 O ATOM 0 H ASP A 89 17.918 -2.658 -0.097 1.00 0.00 H new ATOM 0 HA ASP A 89 16.573 -4.629 1.346 1.00 0.00 H new ATOM 0 HB2 ASP A 89 18.606 -2.512 2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 89 18.133 -3.862 3.199 1.00 0.00 H new ATOM 1423 N PRO A 90 15.284 -3.527 3.372 1.00 0.00 N ATOM 1424 CA PRO A 90 14.258 -2.949 4.270 1.00 0.00 C ATOM 1425 C PRO A 90 14.722 -1.666 5.005 1.00 0.00 C ATOM 1426 O PRO A 90 13.939 -1.012 5.685 1.00 0.00 O ATOM 1427 CB PRO A 90 13.986 -4.064 5.294 1.00 0.00 C ATOM 1428 CG PRO A 90 15.146 -4.984 5.177 1.00 0.00 C ATOM 1429 CD PRO A 90 15.572 -4.923 3.745 1.00 0.00 C ATOM 0 HA PRO A 90 13.383 -2.641 3.697 1.00 0.00 H new ATOM 0 HB2 PRO A 90 13.902 -3.661 6.303 1.00 0.00 H new ATOM 0 HB3 PRO A 90 13.050 -4.579 5.077 1.00 0.00 H new ATOM 0 HG2 PRO A 90 15.956 -4.678 5.839 1.00 0.00 H new ATOM 0 HG3 PRO A 90 14.870 -6.000 5.460 1.00 0.00 H new ATOM 0 HD2 PRO A 90 16.629 -5.162 3.628 1.00 0.00 H new ATOM 0 HD3 PRO A 90 15.015 -5.629 3.128 1.00 0.00 H new ATOM 1437 N GLU A 91 15.987 -1.322 4.852 1.00 0.00 N ATOM 1438 CA GLU A 91 16.575 -0.113 5.432 1.00 0.00 C ATOM 1439 C GLU A 91 15.918 1.139 4.834 1.00 0.00 C ATOM 1440 O GLU A 91 15.922 2.213 5.437 1.00 0.00 O ATOM 1441 CB GLU A 91 18.075 -0.094 5.152 1.00 0.00 C ATOM 1442 CG GLU A 91 18.411 -0.177 3.672 1.00 0.00 C ATOM 1443 CD GLU A 91 19.882 -0.214 3.402 1.00 0.00 C ATOM 1444 OE1 GLU A 91 20.472 -1.312 3.439 1.00 0.00 O ATOM 1445 OE2 GLU A 91 20.467 0.850 3.125 1.00 0.00 O ATOM 0 H GLU A 91 16.651 -1.879 4.314 1.00 0.00 H new ATOM 0 HA GLU A 91 16.405 -0.116 6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.503 0.820 5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.545 -0.929 5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.948 -1.070 3.251 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.976 0.680 3.159 1.00 0.00 H new ATOM 1452 N GLU A 92 15.337 0.968 3.649 1.00 0.00 N ATOM 1453 CA GLU A 92 14.644 2.033 2.942 1.00 0.00 C ATOM 1454 C GLU A 92 13.455 2.507 3.781 1.00 0.00 C ATOM 1455 O GLU A 92 13.101 3.681 3.762 1.00 0.00 O ATOM 1456 CB GLU A 92 14.144 1.503 1.596 1.00 0.00 C ATOM 1457 CG GLU A 92 13.527 2.545 0.671 1.00 0.00 C ATOM 1458 CD GLU A 92 14.551 3.431 0.009 1.00 0.00 C ATOM 1459 OE1 GLU A 92 15.200 4.244 0.692 1.00 0.00 O ATOM 1460 OE2 GLU A 92 14.711 3.338 -1.218 1.00 0.00 O ATOM 0 H GLU A 92 15.336 0.078 3.151 1.00 0.00 H new ATOM 0 HA GLU A 92 15.325 2.868 2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.979 1.031 1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.404 0.725 1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.943 2.039 -0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.835 3.164 1.242 1.00 0.00 H new ATOM 1467 N ILE A 93 12.888 1.585 4.568 1.00 0.00 N ATOM 1468 CA ILE A 93 11.728 1.871 5.405 1.00 0.00 C ATOM 1469 C ILE A 93 12.032 3.000 6.374 1.00 0.00 C ATOM 1470 O ILE A 93 11.217 3.852 6.572 1.00 0.00 O ATOM 1471 CB ILE A 93 11.264 0.624 6.208 1.00 0.00 C ATOM 1472 CG1 ILE A 93 10.892 -0.524 5.267 1.00 0.00 C ATOM 1473 CG2 ILE A 93 10.073 0.965 7.119 1.00 0.00 C ATOM 1474 CD1 ILE A 93 10.580 -1.807 6.000 1.00 0.00 C ATOM 0 H ILE A 93 13.223 0.624 4.639 1.00 0.00 H new ATOM 0 HA ILE A 93 10.922 2.166 4.733 1.00 0.00 H new ATOM 0 HB ILE A 93 12.098 0.306 6.834 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.027 -0.233 4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.714 -0.699 4.573 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.769 0.074 7.669 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.365 1.744 7.823 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.240 1.318 6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.323 -2.584 5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.452 -2.119 6.575 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.739 -1.645 6.675 1.00 0.00 H new ATOM 1486 N GLU A 94 13.242 3.022 6.913 1.00 0.00 N ATOM 1487 CA GLU A 94 13.644 4.041 7.890 1.00 0.00 C ATOM 1488 C GLU A 94 13.525 5.429 7.277 1.00 0.00 C ATOM 1489 O GLU A 94 12.972 6.357 7.887 1.00 0.00 O ATOM 1490 CB GLU A 94 15.073 3.803 8.326 1.00 0.00 C ATOM 1491 CG GLU A 94 15.341 2.397 8.803 1.00 0.00 C ATOM 1492 CD GLU A 94 16.762 2.218 9.217 1.00 0.00 C ATOM 1493 OE1 GLU A 94 17.623 2.006 8.346 1.00 0.00 O ATOM 1494 OE2 GLU A 94 17.052 2.288 10.418 1.00 0.00 O ATOM 0 H GLU A 94 13.972 2.344 6.693 1.00 0.00 H new ATOM 0 HA GLU A 94 12.986 3.974 8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.739 4.026 7.492 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.319 4.501 9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.685 2.166 9.643 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.102 1.691 8.008 1.00 0.00 H new ATOM 1501 N ARG A 95 14.008 5.539 6.062 1.00 0.00 N ATOM 1502 CA ARG A 95 13.951 6.765 5.288 1.00 0.00 C ATOM 1503 C ARG A 95 12.489 7.090 4.991 1.00 0.00 C ATOM 1504 O ARG A 95 11.997 8.182 5.271 1.00 0.00 O ATOM 1505 CB ARG A 95 14.695 6.502 3.987 1.00 0.00 C ATOM 1506 CG ARG A 95 14.701 7.619 2.970 1.00 0.00 C ATOM 1507 CD ARG A 95 15.297 7.086 1.697 1.00 0.00 C ATOM 1508 NE ARG A 95 15.359 8.045 0.603 1.00 0.00 N ATOM 1509 CZ ARG A 95 15.546 7.685 -0.674 1.00 0.00 C ATOM 1510 NH1 ARG A 95 15.560 6.394 -1.012 1.00 0.00 N ATOM 1511 NH2 ARG A 95 15.699 8.602 -1.607 1.00 0.00 N ATOM 0 H ARG A 95 14.460 4.768 5.571 1.00 0.00 H new ATOM 0 HA ARG A 95 14.397 7.602 5.825 1.00 0.00 H new ATOM 0 HB2 ARG A 95 15.729 6.258 4.230 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.260 5.619 3.519 1.00 0.00 H new ATOM 0 HG2 ARG A 95 13.688 7.980 2.794 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.281 8.465 3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 95 16.305 6.729 1.906 1.00 0.00 H new ATOM 0 HD3 ARG A 95 14.714 6.224 1.373 1.00 0.00 H new ATOM 0 HE ARG A 95 15.255 9.037 0.819 1.00 0.00 H new ATOM 0 HH11 ARG A 95 15.428 5.678 -0.297 1.00 0.00 H new ATOM 0 HH12 ARG A 95 15.703 6.123 -1.985 1.00 0.00 H new ATOM 0 HH21 ARG A 95 15.675 9.591 -1.359 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.841 8.323 -2.578 1.00 0.00 H new ATOM 1525 N ILE A 96 11.801 6.087 4.510 1.00 0.00 N ATOM 1526 CA ILE A 96 10.416 6.164 4.109 1.00 0.00 C ATOM 1527 C ILE A 96 9.477 6.479 5.291 1.00 0.00 C ATOM 1528 O ILE A 96 8.437 7.084 5.103 1.00 0.00 O ATOM 1529 CB ILE A 96 10.027 4.846 3.362 1.00 0.00 C ATOM 1530 CG1 ILE A 96 10.674 4.783 1.960 1.00 0.00 C ATOM 1531 CG2 ILE A 96 8.535 4.564 3.302 1.00 0.00 C ATOM 1532 CD1 ILE A 96 10.263 5.904 1.016 1.00 0.00 C ATOM 0 H ILE A 96 12.203 5.159 4.381 1.00 0.00 H new ATOM 0 HA ILE A 96 10.293 7.002 3.423 1.00 0.00 H new ATOM 0 HB ILE A 96 10.437 4.042 3.974 1.00 0.00 H new ATOM 0 HG12 ILE A 96 11.758 4.802 2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 96 10.419 3.828 1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.362 3.631 2.766 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.140 4.479 4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.031 5.379 2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.767 5.776 0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.184 5.875 0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 96 10.543 6.865 1.448 1.00 0.00 H new ATOM 1544 N LEU A 97 9.878 6.115 6.495 1.00 0.00 N ATOM 1545 CA LEU A 97 9.087 6.367 7.685 1.00 0.00 C ATOM 1546 C LEU A 97 9.090 7.859 8.021 1.00 0.00 C ATOM 1547 O LEU A 97 8.114 8.393 8.536 1.00 0.00 O ATOM 1548 CB LEU A 97 9.598 5.522 8.859 1.00 0.00 C ATOM 1549 CG LEU A 97 8.782 5.572 10.158 1.00 0.00 C ATOM 1550 CD1 LEU A 97 7.343 5.123 9.918 1.00 0.00 C ATOM 1551 CD2 LEU A 97 9.432 4.696 11.211 1.00 0.00 C ATOM 0 H LEU A 97 10.761 5.637 6.675 1.00 0.00 H new ATOM 0 HA LEU A 97 8.055 6.073 7.492 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.651 4.484 8.532 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.616 5.837 9.086 1.00 0.00 H new ATOM 0 HG LEU A 97 8.762 6.603 10.510 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.787 5.168 10.854 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.874 5.780 9.186 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.339 4.100 9.542 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.847 4.737 12.130 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.474 3.667 10.853 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.443 5.053 11.408 1.00 0.00 H new ATOM 1563 N GLU A 98 10.175 8.534 7.696 1.00 0.00 N ATOM 1564 CA GLU A 98 10.260 9.972 7.915 1.00 0.00 C ATOM 1565 C GLU A 98 9.460 10.660 6.828 1.00 0.00 C ATOM 1566 O GLU A 98 8.705 11.607 7.059 1.00 0.00 O ATOM 1567 CB GLU A 98 11.705 10.437 7.828 1.00 0.00 C ATOM 1568 CG GLU A 98 11.877 11.930 8.089 1.00 0.00 C ATOM 1569 CD GLU A 98 13.305 12.372 8.053 1.00 0.00 C ATOM 1570 OE1 GLU A 98 13.849 12.608 6.954 1.00 0.00 O ATOM 1571 OE2 GLU A 98 13.923 12.485 9.130 1.00 0.00 O ATOM 0 H GLU A 98 11.008 8.116 7.281 1.00 0.00 H new ATOM 0 HA GLU A 98 9.871 10.215 8.904 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.303 9.878 8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.096 10.201 6.838 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.311 12.490 7.345 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.452 12.174 9.063 1.00 0.00 H new ATOM 1578 N VAL A 99 9.594 10.116 5.652 1.00 0.00 N ATOM 1579 CA VAL A 99 8.968 10.614 4.449 1.00 0.00 C ATOM 1580 C VAL A 99 7.480 10.137 4.375 1.00 0.00 C ATOM 1581 O VAL A 99 6.771 10.378 3.378 1.00 0.00 O ATOM 1582 CB VAL A 99 9.813 10.117 3.222 1.00 0.00 C ATOM 1583 CG1 VAL A 99 9.280 10.611 1.882 1.00 0.00 C ATOM 1584 CG2 VAL A 99 11.252 10.569 3.366 1.00 0.00 C ATOM 0 H VAL A 99 10.161 9.283 5.493 1.00 0.00 H new ATOM 0 HA VAL A 99 8.945 11.704 4.444 1.00 0.00 H new ATOM 0 HB VAL A 99 9.741 9.029 3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 99 9.910 10.231 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.259 10.255 1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 99 9.289 11.701 1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.830 10.220 2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 99 11.289 11.658 3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.673 10.155 4.282 1.00 0.00 H new ATOM 1594 N ALA A 100 7.018 9.490 5.459 1.00 0.00 N ATOM 1595 CA ALA A 100 5.656 8.950 5.580 1.00 0.00 C ATOM 1596 C ALA A 100 4.627 10.011 5.345 1.00 0.00 C ATOM 1597 O ALA A 100 3.694 9.836 4.573 1.00 0.00 O ATOM 1598 CB ALA A 100 5.441 8.330 6.953 1.00 0.00 C ATOM 0 H ALA A 100 7.590 9.326 6.287 1.00 0.00 H new ATOM 0 HA ALA A 100 5.544 8.180 4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.427 7.937 7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.155 7.520 7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 100 5.588 9.089 7.722 1.00 0.00 H new ATOM 1604 N GLU A 101 4.842 11.125 5.954 1.00 0.00 N ATOM 1605 CA GLU A 101 3.940 12.203 5.869 1.00 0.00 C ATOM 1606 C GLU A 101 4.701 13.450 5.474 1.00 0.00 C ATOM 1607 O GLU A 101 5.377 14.062 6.305 1.00 0.00 O ATOM 1608 CB GLU A 101 3.237 12.430 7.199 1.00 0.00 C ATOM 1609 CG GLU A 101 2.339 11.298 7.654 1.00 0.00 C ATOM 1610 CD GLU A 101 1.703 11.593 8.978 1.00 0.00 C ATOM 1611 OE1 GLU A 101 0.653 12.252 9.016 1.00 0.00 O ATOM 1612 OE2 GLU A 101 2.244 11.177 10.014 1.00 0.00 O ATOM 0 H GLU A 101 5.663 11.308 6.531 1.00 0.00 H new ATOM 0 HA GLU A 101 3.182 11.972 5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.992 12.605 7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.640 13.339 7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.563 11.127 6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.920 10.379 7.726 1.00 0.00 H new ATOM 1619 N PRO A 102 4.704 13.778 4.199 1.00 0.00 N ATOM 1620 CA PRO A 102 5.348 14.975 3.694 1.00 0.00 C ATOM 1621 C PRO A 102 4.498 16.204 4.007 1.00 0.00 C ATOM 1622 O PRO A 102 3.489 16.449 3.310 1.00 0.00 O ATOM 1623 CB PRO A 102 5.432 14.716 2.175 1.00 0.00 C ATOM 1624 CG PRO A 102 5.103 13.267 2.032 1.00 0.00 C ATOM 1625 CD PRO A 102 4.126 12.999 3.111 1.00 0.00 C ATOM 1626 OXT PRO A 102 4.813 16.924 4.978 1.00 0.00 O ATOM 0 HA PRO A 102 6.324 15.169 4.139 1.00 0.00 H new ATOM 0 HB2 PRO A 102 4.728 15.340 1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.426 14.939 1.787 1.00 0.00 H new ATOM 0 HG2 PRO A 102 4.680 13.051 1.051 1.00 0.00 H new ATOM 0 HG3 PRO A 102 5.992 12.646 2.139 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.121 13.333 2.852 1.00 0.00 H new ATOM 0 HD3 PRO A 102 4.057 11.938 3.353 1.00 0.00 H new