USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=19 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 13 SER OG : rot 177:sc= 1.05 USER MOD Set 1.2: A 78 CYS SG : rot -72:sc= 1.24 USER MOD Set 2.1: A 3 THR OG1 : rot 78:sc= 1.24 USER MOD Set 2.2: A 28 CYS SG : rot -130:sc= 0.914 USER MOD Single : A 1 HIS : no HD1:sc=-0.00259 X(o=-0.0026,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -150:sc= -1.99! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -1.64 K(o=-1.6,f=-3.5!) USER MOD Single : A 12 GLN : amide:sc= -0.048 X(o=-0.048,f=-0.26) USER MOD Single : A 16 TYR OH : rot 39:sc= 0.976 USER MOD Single : A 19 HIS : no HD1:sc= -0.0124 X(o=-0.012,f=-0.00087) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= 0.627 (180deg=0.32) USER MOD Single : A 31 MET CE :methyl 161:sc= -0.55 (180deg=-1.25) USER MOD Single : A 34 LYS NZ :NH3+ -111:sc= -0.743 (180deg=-1.75!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -3.29! C(o=-3.3!,f=-4.2!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= -0.22 (180deg=-0.302) USER MOD Single : A 68 SER OG : rot -38:sc= 0.523 USER MOD Single : A 69 THR OG1 : rot 67:sc= 0.376 USER MOD Single : A 71 MET CE :methyl -152:sc=-0.00837 (180deg=-0.927) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 32:sc= 0.576 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -168:sc= 0.828 USER MOD Single : A 81 THR OG1 : rot -78:sc= 0.858 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 3.460 8.345 -12.093 1.00 0.00 N ATOM 2 CA HIS A 1 3.027 7.312 -11.163 1.00 0.00 C ATOM 3 C HIS A 1 3.220 7.761 -9.747 1.00 0.00 C ATOM 4 O HIS A 1 4.344 7.797 -9.258 1.00 0.00 O ATOM 5 CB HIS A 1 3.750 5.967 -11.391 1.00 0.00 C ATOM 6 CG HIS A 1 3.354 5.256 -12.648 1.00 0.00 C ATOM 7 ND1 HIS A 1 4.245 4.743 -13.564 1.00 0.00 N ATOM 8 CD2 HIS A 1 2.121 4.934 -13.112 1.00 0.00 C ATOM 9 CE1 HIS A 1 3.551 4.147 -14.532 1.00 0.00 C ATOM 10 NE2 HIS A 1 2.247 4.234 -14.306 1.00 0.00 N ATOM 0 H1 HIS A 1 3.318 8.015 -13.069 1.00 0.00 H new ATOM 0 H2 HIS A 1 2.903 9.209 -11.936 1.00 0.00 H new ATOM 0 H3 HIS A 1 4.468 8.550 -11.940 1.00 0.00 H new ATOM 0 HA HIS A 1 1.966 7.148 -11.351 1.00 0.00 H new ATOM 0 HB2 HIS A 1 4.825 6.146 -11.413 1.00 0.00 H new ATOM 0 HB3 HIS A 1 3.552 5.314 -10.541 1.00 0.00 H new ATOM 0 HD2 HIS A 1 1.187 5.183 -12.629 1.00 0.00 H new ATOM 0 HE1 HIS A 1 3.992 3.658 -15.388 1.00 0.00 H new ATOM 0 HE2 HIS A 1 1.494 3.865 -14.887 1.00 0.00 H new ATOM 18 N MET A 2 2.128 8.172 -9.130 1.00 0.00 N ATOM 19 CA MET A 2 2.057 8.588 -7.741 1.00 0.00 C ATOM 20 C MET A 2 0.638 8.981 -7.425 1.00 0.00 C ATOM 21 O MET A 2 -0.009 9.681 -8.204 1.00 0.00 O ATOM 22 CB MET A 2 3.023 9.731 -7.379 1.00 0.00 C ATOM 23 CG MET A 2 2.823 11.026 -8.146 1.00 0.00 C ATOM 24 SD MET A 2 3.971 12.314 -7.627 1.00 0.00 S ATOM 25 CE MET A 2 3.363 13.690 -8.594 1.00 0.00 C ATOM 0 H MET A 2 1.226 8.228 -9.604 1.00 0.00 H new ATOM 0 HA MET A 2 2.372 7.739 -7.135 1.00 0.00 H new ATOM 0 HB2 MET A 2 2.926 9.942 -6.314 1.00 0.00 H new ATOM 0 HB3 MET A 2 4.044 9.386 -7.544 1.00 0.00 H new ATOM 0 HG2 MET A 2 2.950 10.837 -9.212 1.00 0.00 H new ATOM 0 HG3 MET A 2 1.800 11.375 -8.004 1.00 0.00 H new ATOM 0 HE1 MET A 2 3.968 14.574 -8.390 1.00 0.00 H new ATOM 0 HE2 MET A 2 3.425 13.445 -9.654 1.00 0.00 H new ATOM 0 HE3 MET A 2 2.325 13.891 -8.328 1.00 0.00 H new ATOM 35 N THR A 3 0.145 8.506 -6.333 1.00 0.00 N ATOM 36 CA THR A 3 -1.198 8.791 -5.936 1.00 0.00 C ATOM 37 C THR A 3 -1.241 9.222 -4.476 1.00 0.00 C ATOM 38 O THR A 3 -0.762 8.503 -3.583 1.00 0.00 O ATOM 39 CB THR A 3 -2.101 7.565 -6.174 1.00 0.00 C ATOM 40 OG1 THR A 3 -2.067 7.226 -7.562 1.00 0.00 O ATOM 41 CG2 THR A 3 -3.546 7.833 -5.763 1.00 0.00 C ATOM 0 H THR A 3 0.660 7.908 -5.687 1.00 0.00 H new ATOM 0 HA THR A 3 -1.574 9.614 -6.544 1.00 0.00 H new ATOM 0 HB THR A 3 -1.724 6.745 -5.562 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.235 6.748 -7.762 1.00 0.00 H new ATOM 0 HG21 THR A 3 -4.148 6.943 -5.948 1.00 0.00 H new ATOM 0 HG22 THR A 3 -3.582 8.082 -4.702 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.941 8.665 -6.345 1.00 0.00 H new ATOM 49 N PHE A 4 -1.777 10.405 -4.249 1.00 0.00 N ATOM 50 CA PHE A 4 -1.891 10.976 -2.919 1.00 0.00 C ATOM 51 C PHE A 4 -3.348 11.160 -2.559 1.00 0.00 C ATOM 52 O PHE A 4 -3.691 11.434 -1.422 1.00 0.00 O ATOM 53 CB PHE A 4 -1.125 12.308 -2.848 1.00 0.00 C ATOM 54 CG PHE A 4 0.313 12.121 -3.208 1.00 0.00 C ATOM 55 CD1 PHE A 4 1.223 11.708 -2.260 1.00 0.00 C ATOM 56 CD2 PHE A 4 0.738 12.286 -4.509 1.00 0.00 C ATOM 57 CE1 PHE A 4 2.530 11.470 -2.600 1.00 0.00 C ATOM 58 CE2 PHE A 4 2.035 12.035 -4.853 1.00 0.00 C ATOM 59 CZ PHE A 4 2.933 11.627 -3.900 1.00 0.00 C ATOM 0 H PHE A 4 -2.149 11.003 -4.987 1.00 0.00 H new ATOM 0 HA PHE A 4 -1.447 10.294 -2.194 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.582 13.030 -3.525 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.201 12.721 -1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.904 11.570 -1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.039 12.617 -5.263 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.239 11.160 -1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.355 12.158 -5.877 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.959 11.429 -4.175 1.00 0.00 H new ATOM 69 N CYS A 5 -4.199 10.961 -3.536 1.00 0.00 N ATOM 70 CA CYS A 5 -5.614 11.086 -3.353 1.00 0.00 C ATOM 71 C CYS A 5 -6.179 9.853 -2.714 1.00 0.00 C ATOM 72 O CYS A 5 -6.327 8.803 -3.345 1.00 0.00 O ATOM 73 CB CYS A 5 -6.273 11.404 -4.674 1.00 0.00 C ATOM 74 SG CYS A 5 -5.702 12.960 -5.387 1.00 0.00 S ATOM 0 H CYS A 5 -3.922 10.706 -4.484 1.00 0.00 H new ATOM 0 HA CYS A 5 -5.820 11.912 -2.672 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -6.076 10.594 -5.377 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -7.353 11.449 -4.534 1.00 0.00 H new ATOM 0 HG CYS A 5 -6.307 13.167 -6.519 1.00 0.00 H new ATOM 80 N LEU A 6 -6.409 9.962 -1.435 1.00 0.00 N ATOM 81 CA LEU A 6 -6.973 8.889 -0.677 1.00 0.00 C ATOM 82 C LEU A 6 -8.471 8.948 -0.700 1.00 0.00 C ATOM 83 O LEU A 6 -9.101 7.967 -0.896 1.00 0.00 O ATOM 84 CB LEU A 6 -6.386 8.745 0.789 1.00 0.00 C ATOM 85 CG LEU A 6 -6.469 9.921 1.820 1.00 0.00 C ATOM 86 CD1 LEU A 6 -5.807 11.190 1.336 1.00 0.00 C ATOM 87 CD2 LEU A 6 -7.886 10.187 2.307 1.00 0.00 C ATOM 0 H LEU A 6 -6.209 10.801 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.665 7.970 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.880 7.887 1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.332 8.488 0.685 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.895 9.577 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.901 11.963 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.752 10.999 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.290 11.525 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.877 11.013 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.520 10.446 1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.278 9.293 2.793 1.00 0.00 H new ATOM 99 N GLU A 7 -9.021 10.138 -0.645 1.00 0.00 N ATOM 100 CA GLU A 7 -10.466 10.338 -0.591 1.00 0.00 C ATOM 101 C GLU A 7 -11.150 9.946 -1.916 1.00 0.00 C ATOM 102 O GLU A 7 -12.368 9.772 -1.992 1.00 0.00 O ATOM 103 CB GLU A 7 -10.752 11.776 -0.106 1.00 0.00 C ATOM 104 CG GLU A 7 -12.163 12.290 -0.282 1.00 0.00 C ATOM 105 CD GLU A 7 -12.340 13.669 0.295 1.00 0.00 C ATOM 106 OE1 GLU A 7 -11.701 14.620 -0.189 1.00 0.00 O ATOM 107 OE2 GLU A 7 -13.134 13.832 1.232 1.00 0.00 O ATOM 0 H GLU A 7 -8.483 11.005 -0.636 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.917 9.663 0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.500 11.833 0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.077 12.452 -0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.412 12.307 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.861 11.604 0.199 1.00 0.00 H new ATOM 114 N THR A 8 -10.338 9.692 -2.918 1.00 0.00 N ATOM 115 CA THR A 8 -10.804 9.260 -4.198 1.00 0.00 C ATOM 116 C THR A 8 -11.219 7.779 -4.110 1.00 0.00 C ATOM 117 O THR A 8 -11.964 7.274 -4.956 1.00 0.00 O ATOM 118 CB THR A 8 -9.692 9.440 -5.248 1.00 0.00 C ATOM 119 OG1 THR A 8 -9.218 10.776 -5.168 1.00 0.00 O ATOM 120 CG2 THR A 8 -10.204 9.187 -6.659 1.00 0.00 C ATOM 0 H THR A 8 -9.324 9.784 -2.856 1.00 0.00 H new ATOM 0 HA THR A 8 -11.664 9.859 -4.497 1.00 0.00 H new ATOM 0 HB THR A 8 -8.900 8.721 -5.042 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.902 11.064 -6.050 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.390 9.324 -7.371 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.582 8.167 -6.731 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.007 9.889 -6.886 1.00 0.00 H new ATOM 128 N TYR A 9 -10.788 7.107 -3.020 1.00 0.00 N ATOM 129 CA TYR A 9 -11.097 5.694 -2.812 1.00 0.00 C ATOM 130 C TYR A 9 -12.591 5.458 -2.753 1.00 0.00 C ATOM 131 O TYR A 9 -13.089 4.407 -3.167 1.00 0.00 O ATOM 132 CB TYR A 9 -10.392 5.081 -1.537 1.00 0.00 C ATOM 133 CG TYR A 9 -10.693 5.705 -0.126 1.00 0.00 C ATOM 134 CD1 TYR A 9 -11.908 6.296 0.201 1.00 0.00 C ATOM 135 CD2 TYR A 9 -9.727 5.695 0.857 1.00 0.00 C ATOM 136 CE1 TYR A 9 -12.147 6.842 1.435 1.00 0.00 C ATOM 137 CE2 TYR A 9 -9.965 6.245 2.103 1.00 0.00 C ATOM 138 CZ TYR A 9 -11.170 6.814 2.380 1.00 0.00 C ATOM 139 OH TYR A 9 -11.404 7.351 3.619 1.00 0.00 O ATOM 0 H TYR A 9 -10.228 7.527 -2.279 1.00 0.00 H new ATOM 0 HA TYR A 9 -10.691 5.172 -3.679 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -10.654 4.024 -1.492 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.315 5.136 -1.698 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.690 6.326 -0.543 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -8.765 5.249 0.650 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -13.104 7.291 1.655 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -9.193 6.223 2.858 1.00 0.00 H new ATOM 0 HH TYR A 9 -10.604 7.249 4.176 1.00 0.00 H new ATOM 149 N LEU A 10 -13.309 6.475 -2.314 1.00 0.00 N ATOM 150 CA LEU A 10 -14.713 6.377 -2.124 1.00 0.00 C ATOM 151 C LEU A 10 -15.389 6.289 -3.474 1.00 0.00 C ATOM 152 O LEU A 10 -16.254 5.451 -3.695 1.00 0.00 O ATOM 153 CB LEU A 10 -15.207 7.568 -1.268 1.00 0.00 C ATOM 154 CG LEU A 10 -16.628 7.491 -0.657 1.00 0.00 C ATOM 155 CD1 LEU A 10 -16.802 8.585 0.377 1.00 0.00 C ATOM 156 CD2 LEU A 10 -17.716 7.628 -1.714 1.00 0.00 C ATOM 0 H LEU A 10 -12.917 7.388 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.971 5.472 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -14.500 7.706 -0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -15.158 8.465 -1.886 1.00 0.00 H new ATOM 0 HG LEU A 10 -16.729 6.509 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -17.803 8.526 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -16.063 8.459 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -16.665 9.558 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -18.695 7.568 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -17.615 8.590 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -17.617 6.825 -2.444 1.00 0.00 H new ATOM 168 N GLN A 11 -14.864 7.055 -4.402 1.00 0.00 N ATOM 169 CA GLN A 11 -15.385 7.163 -5.748 1.00 0.00 C ATOM 170 C GLN A 11 -15.005 5.939 -6.573 1.00 0.00 C ATOM 171 O GLN A 11 -15.369 5.829 -7.747 1.00 0.00 O ATOM 172 CB GLN A 11 -14.861 8.446 -6.442 1.00 0.00 C ATOM 173 CG GLN A 11 -15.424 9.784 -5.926 1.00 0.00 C ATOM 174 CD GLN A 11 -15.124 10.085 -4.466 1.00 0.00 C ATOM 175 OE1 GLN A 11 -15.892 9.740 -3.580 1.00 0.00 O ATOM 176 NE2 GLN A 11 -14.027 10.733 -4.207 1.00 0.00 N ATOM 0 H GLN A 11 -14.042 7.636 -4.239 1.00 0.00 H new ATOM 0 HA GLN A 11 -16.471 7.220 -5.680 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -13.776 8.470 -6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.080 8.372 -7.507 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -15.021 10.591 -6.538 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -16.505 9.785 -6.067 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.405 11.008 -4.968 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.788 10.967 -3.243 1.00 0.00 H new ATOM 185 N GLN A 12 -14.261 5.035 -5.962 1.00 0.00 N ATOM 186 CA GLN A 12 -13.819 3.842 -6.625 1.00 0.00 C ATOM 187 C GLN A 12 -14.321 2.558 -5.973 1.00 0.00 C ATOM 188 O GLN A 12 -14.488 1.557 -6.664 1.00 0.00 O ATOM 189 CB GLN A 12 -12.297 3.823 -6.775 1.00 0.00 C ATOM 190 CG GLN A 12 -11.770 4.810 -7.808 1.00 0.00 C ATOM 191 CD GLN A 12 -12.229 4.461 -9.218 1.00 0.00 C ATOM 192 OE1 GLN A 12 -11.555 3.716 -9.929 1.00 0.00 O ATOM 193 NE2 GLN A 12 -13.372 4.954 -9.619 1.00 0.00 N ATOM 0 H GLN A 12 -13.951 5.116 -4.993 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.268 3.871 -7.618 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -11.843 4.045 -5.809 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -11.981 2.817 -7.052 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -12.109 5.815 -7.555 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.681 4.823 -7.774 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -13.906 5.569 -9.005 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.730 4.724 -10.546 1.00 0.00 H new ATOM 202 N SER A 13 -14.567 2.558 -4.670 1.00 0.00 N ATOM 203 CA SER A 13 -15.006 1.332 -4.028 1.00 0.00 C ATOM 204 C SER A 13 -15.607 1.632 -2.668 1.00 0.00 C ATOM 205 O SER A 13 -16.755 1.283 -2.385 1.00 0.00 O ATOM 206 CB SER A 13 -13.802 0.356 -3.892 1.00 0.00 C ATOM 207 OG SER A 13 -14.186 -0.925 -3.407 1.00 0.00 O ATOM 0 H SER A 13 -14.474 3.366 -4.055 1.00 0.00 H new ATOM 0 HA SER A 13 -15.775 0.863 -4.641 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.320 0.243 -4.863 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.063 0.789 -3.218 1.00 0.00 H new ATOM 0 HG SER A 13 -13.405 -1.517 -3.393 1.00 0.00 H new ATOM 213 N GLY A 14 -14.851 2.311 -1.872 1.00 0.00 N ATOM 214 CA GLY A 14 -15.226 2.634 -0.537 1.00 0.00 C ATOM 215 C GLY A 14 -13.984 3.012 0.168 1.00 0.00 C ATOM 216 O GLY A 14 -13.035 3.416 -0.488 1.00 0.00 O ATOM 0 H GLY A 14 -13.932 2.665 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.944 3.454 -0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.704 1.783 -0.052 1.00 0.00 H new ATOM 220 N GLU A 15 -13.921 2.862 1.447 1.00 0.00 N ATOM 221 CA GLU A 15 -12.714 3.242 2.120 1.00 0.00 C ATOM 222 C GLU A 15 -11.658 2.141 1.989 1.00 0.00 C ATOM 223 O GLU A 15 -11.972 0.945 2.065 1.00 0.00 O ATOM 224 CB GLU A 15 -12.925 3.649 3.594 1.00 0.00 C ATOM 225 CG GLU A 15 -13.922 4.788 3.836 1.00 0.00 C ATOM 226 CD GLU A 15 -15.375 4.363 3.759 1.00 0.00 C ATOM 227 OE1 GLU A 15 -15.897 3.865 4.766 1.00 0.00 O ATOM 228 OE2 GLU A 15 -16.035 4.566 2.712 1.00 0.00 O ATOM 0 H GLU A 15 -14.664 2.491 2.039 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.353 4.141 1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.262 2.773 4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.961 3.940 4.012 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.732 5.220 4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.745 5.574 3.102 1.00 0.00 H new ATOM 235 N TYR A 16 -10.434 2.543 1.729 1.00 0.00 N ATOM 236 CA TYR A 16 -9.333 1.607 1.592 1.00 0.00 C ATOM 237 C TYR A 16 -8.056 2.200 2.208 1.00 0.00 C ATOM 238 O TYR A 16 -7.002 1.571 2.233 1.00 0.00 O ATOM 239 CB TYR A 16 -9.135 1.270 0.099 1.00 0.00 C ATOM 240 CG TYR A 16 -8.090 0.215 -0.183 1.00 0.00 C ATOM 241 CD1 TYR A 16 -8.174 -1.037 0.406 1.00 0.00 C ATOM 242 CD2 TYR A 16 -7.009 0.476 -1.018 1.00 0.00 C ATOM 243 CE1 TYR A 16 -7.225 -1.998 0.174 1.00 0.00 C ATOM 244 CE2 TYR A 16 -6.048 -0.487 -1.255 1.00 0.00 C ATOM 245 CZ TYR A 16 -6.164 -1.724 -0.654 1.00 0.00 C ATOM 246 OH TYR A 16 -5.206 -2.685 -0.866 1.00 0.00 O ATOM 0 H TYR A 16 -10.171 3.521 1.607 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.561 0.685 2.128 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -10.088 0.936 -0.312 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.861 2.182 -0.431 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.004 -1.259 1.061 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.920 1.445 -1.487 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -7.311 -2.968 0.641 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.212 -0.274 -1.905 1.00 0.00 H new ATOM 0 HH TYR A 16 -5.634 -3.563 -0.940 1.00 0.00 H new ATOM 256 N GLU A 17 -8.204 3.367 2.784 1.00 0.00 N ATOM 257 CA GLU A 17 -7.119 4.128 3.357 1.00 0.00 C ATOM 258 C GLU A 17 -7.746 4.937 4.487 1.00 0.00 C ATOM 259 O GLU A 17 -8.966 4.890 4.673 1.00 0.00 O ATOM 260 CB GLU A 17 -6.593 5.164 2.320 1.00 0.00 C ATOM 261 CG GLU A 17 -6.167 4.649 0.942 1.00 0.00 C ATOM 262 CD GLU A 17 -4.842 3.937 0.918 1.00 0.00 C ATOM 263 OE1 GLU A 17 -3.804 4.602 1.055 1.00 0.00 O ATOM 264 OE2 GLU A 17 -4.798 2.719 0.674 1.00 0.00 O ATOM 0 H GLU A 17 -9.110 3.828 2.870 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.309 3.471 3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.372 5.912 2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.739 5.677 2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.935 3.971 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.124 5.492 0.252 1.00 0.00 H new ATOM 271 N ILE A 18 -6.958 5.674 5.215 1.00 0.00 N ATOM 272 CA ILE A 18 -7.498 6.542 6.231 1.00 0.00 C ATOM 273 C ILE A 18 -7.292 7.980 5.741 1.00 0.00 C ATOM 274 O ILE A 18 -6.454 8.195 4.860 1.00 0.00 O ATOM 275 CB ILE A 18 -6.921 6.287 7.687 1.00 0.00 C ATOM 276 CG1 ILE A 18 -7.545 7.235 8.736 1.00 0.00 C ATOM 277 CG2 ILE A 18 -5.417 6.344 7.736 1.00 0.00 C ATOM 278 CD1 ILE A 18 -7.059 7.009 10.157 1.00 0.00 C ATOM 0 H ILE A 18 -5.942 5.694 5.128 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.559 6.329 6.361 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.211 5.269 7.946 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.329 8.265 8.451 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.629 7.119 8.713 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.079 6.162 8.756 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.002 5.583 7.075 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.079 7.328 7.412 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.548 7.717 10.826 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.300 5.992 10.466 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.980 7.156 10.200 1.00 0.00 H new ATOM 290 N HIS A 19 -8.076 8.940 6.231 1.00 0.00 N ATOM 291 CA HIS A 19 -7.971 10.342 5.830 1.00 0.00 C ATOM 292 C HIS A 19 -6.691 10.933 6.419 1.00 0.00 C ATOM 293 O HIS A 19 -6.692 11.640 7.430 1.00 0.00 O ATOM 294 CB HIS A 19 -9.214 11.142 6.273 1.00 0.00 C ATOM 295 CG HIS A 19 -9.357 12.498 5.628 1.00 0.00 C ATOM 296 ND1 HIS A 19 -10.374 12.829 4.762 1.00 0.00 N ATOM 297 CD2 HIS A 19 -8.603 13.619 5.755 1.00 0.00 C ATOM 298 CE1 HIS A 19 -10.209 14.098 4.397 1.00 0.00 C ATOM 299 NE2 HIS A 19 -9.149 14.627 4.975 1.00 0.00 N ATOM 0 H HIS A 19 -8.806 8.765 6.922 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.926 10.404 4.743 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -10.105 10.554 6.051 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -9.179 11.272 7.355 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.718 13.711 6.367 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -10.859 14.626 3.715 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -8.802 15.580 4.870 1.00 0.00 H new ATOM 307 N MET A 20 -5.631 10.500 5.849 1.00 0.00 N ATOM 308 CA MET A 20 -4.280 10.861 6.189 1.00 0.00 C ATOM 309 C MET A 20 -3.502 11.052 4.895 1.00 0.00 C ATOM 310 O MET A 20 -4.097 11.138 3.834 1.00 0.00 O ATOM 311 CB MET A 20 -3.644 9.732 7.023 1.00 0.00 C ATOM 312 CG MET A 20 -4.129 9.628 8.458 1.00 0.00 C ATOM 313 SD MET A 20 -3.767 11.096 9.434 1.00 0.00 S ATOM 314 CE MET A 20 -4.406 10.579 11.024 1.00 0.00 C ATOM 0 H MET A 20 -5.672 9.836 5.076 1.00 0.00 H new ATOM 0 HA MET A 20 -4.264 11.781 6.774 1.00 0.00 H new ATOM 0 HB2 MET A 20 -3.836 8.782 6.523 1.00 0.00 H new ATOM 0 HB3 MET A 20 -2.563 9.875 7.032 1.00 0.00 H new ATOM 0 HG2 MET A 20 -5.205 9.454 8.460 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.665 8.762 8.930 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.261 11.378 11.752 1.00 0.00 H new ATOM 0 HE2 MET A 20 -5.470 10.358 10.934 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.877 9.686 11.356 1.00 0.00 H new ATOM 324 N LYS A 21 -2.206 11.136 4.972 1.00 0.00 N ATOM 325 CA LYS A 21 -1.391 11.273 3.783 1.00 0.00 C ATOM 326 C LYS A 21 -1.046 9.944 3.184 1.00 0.00 C ATOM 327 O LYS A 21 -0.344 9.146 3.791 1.00 0.00 O ATOM 328 CB LYS A 21 -0.105 12.022 4.078 1.00 0.00 C ATOM 329 CG LYS A 21 -0.233 13.517 4.127 1.00 0.00 C ATOM 330 CD LYS A 21 -0.482 14.095 2.742 1.00 0.00 C ATOM 331 CE LYS A 21 -0.422 15.612 2.757 1.00 0.00 C ATOM 332 NZ LYS A 21 0.870 16.103 3.288 1.00 0.00 N ATOM 0 H LYS A 21 -1.681 11.113 5.846 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.989 11.839 3.069 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.287 11.675 5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.631 11.761 3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.052 13.793 4.791 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.676 13.949 4.546 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.261 13.707 2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.458 13.771 2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.568 15.992 1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.238 16.003 3.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.974 17.114 3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.895 15.969 4.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.650 15.571 2.851 1.00 0.00 H new ATOM 346 N ARG A 22 -1.557 9.682 2.022 1.00 0.00 N ATOM 347 CA ARG A 22 -1.205 8.470 1.349 1.00 0.00 C ATOM 348 C ARG A 22 -0.171 8.878 0.321 1.00 0.00 C ATOM 349 O ARG A 22 -0.350 9.880 -0.369 1.00 0.00 O ATOM 350 CB ARG A 22 -2.425 7.757 0.673 1.00 0.00 C ATOM 351 CG ARG A 22 -2.668 8.127 -0.788 1.00 0.00 C ATOM 352 CD ARG A 22 -3.840 7.401 -1.413 1.00 0.00 C ATOM 353 NE ARG A 22 -3.774 5.941 -1.282 1.00 0.00 N ATOM 354 CZ ARG A 22 -4.005 5.063 -2.264 1.00 0.00 C ATOM 355 NH1 ARG A 22 -4.337 5.488 -3.482 1.00 0.00 N ATOM 356 NH2 ARG A 22 -3.971 3.758 -2.001 1.00 0.00 N ATOM 0 H ARG A 22 -2.213 10.283 1.523 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.825 7.736 2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.277 6.679 0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.324 7.990 1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.838 9.201 -0.858 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.768 7.909 -1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.762 7.756 -0.952 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.892 7.659 -2.471 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.532 5.564 -0.366 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.416 6.488 -3.669 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.512 4.814 -4.227 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.770 3.433 -1.055 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.146 3.083 -2.745 1.00 0.00 H new ATOM 370 N ALA A 23 0.909 8.202 0.277 1.00 0.00 N ATOM 371 CA ALA A 23 1.921 8.503 -0.684 1.00 0.00 C ATOM 372 C ALA A 23 2.225 7.281 -1.488 1.00 0.00 C ATOM 373 O ALA A 23 3.115 6.521 -1.172 1.00 0.00 O ATOM 374 CB ALA A 23 3.171 9.047 -0.014 1.00 0.00 C ATOM 0 H ALA A 23 1.127 7.424 0.899 1.00 0.00 H new ATOM 0 HA ALA A 23 1.553 9.281 -1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.923 9.267 -0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.925 9.960 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.563 8.305 0.682 1.00 0.00 H new ATOM 380 N GLY A 24 1.469 7.062 -2.500 1.00 0.00 N ATOM 381 CA GLY A 24 1.669 5.888 -3.281 1.00 0.00 C ATOM 382 C GLY A 24 2.440 6.191 -4.506 1.00 0.00 C ATOM 383 O GLY A 24 1.861 6.254 -5.566 1.00 0.00 O ATOM 0 H GLY A 24 0.711 7.671 -2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.197 5.140 -2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.705 5.458 -3.551 1.00 0.00 H new ATOM 387 N PHE A 25 3.756 6.385 -4.368 1.00 0.00 N ATOM 388 CA PHE A 25 4.580 6.736 -5.512 1.00 0.00 C ATOM 389 C PHE A 25 4.624 5.589 -6.514 1.00 0.00 C ATOM 390 O PHE A 25 3.872 5.553 -7.466 1.00 0.00 O ATOM 391 CB PHE A 25 6.009 7.138 -5.085 1.00 0.00 C ATOM 392 CG PHE A 25 6.107 8.386 -4.242 1.00 0.00 C ATOM 393 CD1 PHE A 25 6.247 9.628 -4.838 1.00 0.00 C ATOM 394 CD2 PHE A 25 6.085 8.314 -2.857 1.00 0.00 C ATOM 395 CE1 PHE A 25 6.361 10.772 -4.068 1.00 0.00 C ATOM 396 CE2 PHE A 25 6.194 9.453 -2.086 1.00 0.00 C ATOM 397 CZ PHE A 25 6.334 10.682 -2.691 1.00 0.00 C ATOM 0 H PHE A 25 4.261 6.305 -3.485 1.00 0.00 H new ATOM 0 HA PHE A 25 4.124 7.602 -5.991 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.450 6.310 -4.530 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.612 7.278 -5.982 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.267 9.705 -5.915 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.981 7.353 -2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.471 11.735 -4.544 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.170 9.381 -1.009 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.423 11.574 -2.089 1.00 0.00 H new ATOM 407 N ARG A 26 5.438 4.615 -6.242 1.00 0.00 N ATOM 408 CA ARG A 26 5.594 3.490 -7.158 1.00 0.00 C ATOM 409 C ARG A 26 4.417 2.541 -7.084 1.00 0.00 C ATOM 410 O ARG A 26 3.971 2.008 -8.094 1.00 0.00 O ATOM 411 CB ARG A 26 6.851 2.720 -6.863 1.00 0.00 C ATOM 412 CG ARG A 26 8.168 3.372 -7.233 1.00 0.00 C ATOM 413 CD ARG A 26 8.473 4.650 -6.479 1.00 0.00 C ATOM 414 NE ARG A 26 9.838 5.109 -6.715 1.00 0.00 N ATOM 415 CZ ARG A 26 10.205 6.375 -6.978 1.00 0.00 C ATOM 416 NH1 ARG A 26 9.296 7.302 -7.287 1.00 0.00 N ATOM 417 NH2 ARG A 26 11.489 6.695 -6.989 1.00 0.00 N ATOM 0 H ARG A 26 6.010 4.562 -5.399 1.00 0.00 H new ATOM 0 HA ARG A 26 5.650 3.913 -8.161 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.871 2.502 -5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.790 1.764 -7.382 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.974 2.660 -7.055 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.164 3.588 -8.301 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.771 5.427 -6.783 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.325 4.486 -5.412 1.00 0.00 H new ATOM 0 HE ARG A 26 10.578 4.408 -6.677 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.307 7.054 -7.326 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.590 8.259 -7.484 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.194 5.983 -6.799 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.774 7.654 -7.188 1.00 0.00 H new ATOM 431 N GLU A 27 3.882 2.378 -5.881 1.00 0.00 N ATOM 432 CA GLU A 27 2.773 1.461 -5.619 1.00 0.00 C ATOM 433 C GLU A 27 1.495 1.928 -6.326 1.00 0.00 C ATOM 434 O GLU A 27 0.517 1.200 -6.409 1.00 0.00 O ATOM 435 CB GLU A 27 2.642 1.337 -4.113 1.00 0.00 C ATOM 436 CG GLU A 27 1.549 0.464 -3.535 1.00 0.00 C ATOM 437 CD GLU A 27 1.416 -0.849 -4.158 1.00 0.00 C ATOM 438 OE1 GLU A 27 2.420 -1.534 -4.403 1.00 0.00 O ATOM 439 OE2 GLU A 27 0.283 -1.251 -4.416 1.00 0.00 O ATOM 0 H GLU A 27 4.205 2.879 -5.053 1.00 0.00 H new ATOM 0 HA GLU A 27 2.962 0.469 -6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.593 0.967 -3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.506 2.341 -3.712 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.739 0.327 -2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.599 0.990 -3.624 1.00 0.00 H new ATOM 446 N CYS A 28 1.531 3.155 -6.835 1.00 0.00 N ATOM 447 CA CYS A 28 0.428 3.709 -7.626 1.00 0.00 C ATOM 448 C CYS A 28 0.031 2.725 -8.758 1.00 0.00 C ATOM 449 O CYS A 28 -1.152 2.473 -9.008 1.00 0.00 O ATOM 450 CB CYS A 28 0.857 5.040 -8.253 1.00 0.00 C ATOM 451 SG CYS A 28 -0.333 5.780 -9.397 1.00 0.00 S ATOM 0 H CYS A 28 2.318 3.793 -6.714 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.426 3.867 -6.967 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.056 5.752 -7.452 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.797 4.886 -8.783 1.00 0.00 H new ATOM 0 HG CYS A 28 0.270 6.100 -10.503 1.00 0.00 H new ATOM 457 N ALA A 29 1.040 2.138 -9.395 1.00 0.00 N ATOM 458 CA ALA A 29 0.828 1.220 -10.489 1.00 0.00 C ATOM 459 C ALA A 29 0.206 -0.061 -10.007 1.00 0.00 C ATOM 460 O ALA A 29 -0.742 -0.583 -10.608 1.00 0.00 O ATOM 461 CB ALA A 29 2.133 0.954 -11.224 1.00 0.00 C ATOM 0 H ALA A 29 2.021 2.290 -9.162 1.00 0.00 H new ATOM 0 HA ALA A 29 0.132 1.681 -11.190 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.953 0.260 -12.045 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.525 1.891 -11.620 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.857 0.520 -10.534 1.00 0.00 H new ATOM 467 N ALA A 30 0.703 -0.533 -8.919 1.00 0.00 N ATOM 468 CA ALA A 30 0.278 -1.755 -8.334 1.00 0.00 C ATOM 469 C ALA A 30 -1.132 -1.725 -7.830 1.00 0.00 C ATOM 470 O ALA A 30 -1.879 -2.671 -8.055 1.00 0.00 O ATOM 471 CB ALA A 30 1.147 -2.041 -7.220 1.00 0.00 C ATOM 0 H ALA A 30 1.441 -0.064 -8.394 1.00 0.00 H new ATOM 0 HA ALA A 30 0.322 -2.517 -9.112 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.842 -2.977 -6.751 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.174 -2.130 -7.573 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.083 -1.233 -6.492 1.00 0.00 H new ATOM 477 N MET A 31 -1.490 -0.661 -7.124 1.00 0.00 N ATOM 478 CA MET A 31 -2.819 -0.537 -6.538 1.00 0.00 C ATOM 479 C MET A 31 -3.907 -0.658 -7.585 1.00 0.00 C ATOM 480 O MET A 31 -4.942 -1.244 -7.326 1.00 0.00 O ATOM 481 CB MET A 31 -2.974 0.742 -5.696 1.00 0.00 C ATOM 482 CG MET A 31 -2.826 2.045 -6.459 1.00 0.00 C ATOM 483 SD MET A 31 -2.908 3.498 -5.387 1.00 0.00 S ATOM 484 CE MET A 31 -1.470 3.224 -4.339 1.00 0.00 C ATOM 0 H MET A 31 -0.876 0.133 -6.942 1.00 0.00 H new ATOM 0 HA MET A 31 -2.936 -1.375 -5.851 1.00 0.00 H new ATOM 0 HB2 MET A 31 -3.955 0.728 -5.222 1.00 0.00 H new ATOM 0 HB3 MET A 31 -2.233 0.722 -4.897 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.874 2.044 -6.989 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.611 2.111 -7.213 1.00 0.00 H new ATOM 0 HE1 MET A 31 -1.182 4.162 -3.864 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.714 2.489 -3.572 1.00 0.00 H new ATOM 0 HE3 MET A 31 -0.643 2.855 -4.945 1.00 0.00 H new ATOM 494 N ILE A 32 -3.619 -0.184 -8.796 1.00 0.00 N ATOM 495 CA ILE A 32 -4.564 -0.279 -9.896 1.00 0.00 C ATOM 496 C ILE A 32 -4.841 -1.765 -10.230 1.00 0.00 C ATOM 497 O ILE A 32 -5.980 -2.162 -10.515 1.00 0.00 O ATOM 498 CB ILE A 32 -4.035 0.476 -11.154 1.00 0.00 C ATOM 499 CG1 ILE A 32 -3.766 1.961 -10.827 1.00 0.00 C ATOM 500 CG2 ILE A 32 -5.013 0.363 -12.321 1.00 0.00 C ATOM 501 CD1 ILE A 32 -4.975 2.733 -10.321 1.00 0.00 C ATOM 0 H ILE A 32 -2.737 0.269 -9.036 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.497 0.194 -9.590 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.097 0.006 -11.450 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.978 2.016 -10.076 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.388 2.453 -11.723 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.615 0.900 -13.182 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.151 -0.687 -12.580 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.972 0.795 -12.035 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.689 3.765 -10.118 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.760 2.716 -11.077 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.344 2.272 -9.405 1.00 0.00 H new ATOM 513 N GLU A 33 -3.809 -2.582 -10.117 1.00 0.00 N ATOM 514 CA GLU A 33 -3.903 -4.013 -10.397 1.00 0.00 C ATOM 515 C GLU A 33 -4.556 -4.729 -9.215 1.00 0.00 C ATOM 516 O GLU A 33 -5.318 -5.686 -9.385 1.00 0.00 O ATOM 517 CB GLU A 33 -2.506 -4.594 -10.637 1.00 0.00 C ATOM 518 CG GLU A 33 -1.678 -3.861 -11.684 1.00 0.00 C ATOM 519 CD GLU A 33 -2.326 -3.819 -13.046 1.00 0.00 C ATOM 520 OE1 GLU A 33 -2.347 -4.852 -13.739 1.00 0.00 O ATOM 521 OE2 GLU A 33 -2.806 -2.740 -13.465 1.00 0.00 O ATOM 0 H GLU A 33 -2.879 -2.277 -9.829 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.510 -4.159 -11.291 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.959 -4.589 -9.694 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.609 -5.636 -10.940 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.499 -2.841 -11.344 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.705 -4.344 -11.769 1.00 0.00 H new ATOM 528 N LYS A 34 -4.284 -4.215 -8.026 1.00 0.00 N ATOM 529 CA LYS A 34 -4.773 -4.755 -6.748 1.00 0.00 C ATOM 530 C LYS A 34 -6.266 -4.619 -6.572 1.00 0.00 C ATOM 531 O LYS A 34 -6.836 -5.186 -5.643 1.00 0.00 O ATOM 532 CB LYS A 34 -4.004 -4.119 -5.602 1.00 0.00 C ATOM 533 CG LYS A 34 -2.609 -4.716 -5.487 1.00 0.00 C ATOM 534 CD LYS A 34 -1.583 -3.801 -4.885 1.00 0.00 C ATOM 535 CE LYS A 34 -0.222 -4.477 -4.939 1.00 0.00 C ATOM 536 NZ LYS A 34 0.829 -3.759 -4.218 1.00 0.00 N ATOM 0 H LYS A 34 -3.701 -3.386 -7.910 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.588 -5.829 -6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.932 -3.043 -5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.546 -4.268 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.665 -5.623 -4.885 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.273 -5.013 -6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.556 -2.857 -5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.846 -3.567 -3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.310 -5.482 -4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.077 -4.586 -5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.512 -3.369 -4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.406 -2.984 -3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.317 -4.413 -3.574 1.00 0.00 H new ATOM 550 N LYS A 35 -6.895 -3.882 -7.463 1.00 0.00 N ATOM 551 CA LYS A 35 -8.329 -3.732 -7.439 1.00 0.00 C ATOM 552 C LYS A 35 -8.988 -5.056 -7.827 1.00 0.00 C ATOM 553 O LYS A 35 -10.144 -5.316 -7.484 1.00 0.00 O ATOM 554 CB LYS A 35 -8.782 -2.650 -8.414 1.00 0.00 C ATOM 555 CG LYS A 35 -10.290 -2.427 -8.399 1.00 0.00 C ATOM 556 CD LYS A 35 -10.750 -1.457 -9.455 1.00 0.00 C ATOM 557 CE LYS A 35 -10.493 -1.967 -10.861 1.00 0.00 C ATOM 558 NZ LYS A 35 -11.005 -1.041 -11.892 1.00 0.00 N ATOM 0 H LYS A 35 -6.429 -3.376 -8.216 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.624 -3.443 -6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.280 -1.714 -8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.471 -2.924 -9.422 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.795 -3.382 -8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.588 -2.056 -7.418 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.816 -1.266 -9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.238 -0.505 -9.318 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.422 -2.111 -11.004 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.965 -2.942 -10.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.808 -1.429 -12.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.031 -0.923 -11.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.537 -0.118 -11.793 1.00 0.00 H new ATOM 572 N ALA A 36 -8.249 -5.893 -8.538 1.00 0.00 N ATOM 573 CA ALA A 36 -8.782 -7.143 -8.993 1.00 0.00 C ATOM 574 C ALA A 36 -9.016 -8.055 -7.804 1.00 0.00 C ATOM 575 O ALA A 36 -10.161 -8.391 -7.487 1.00 0.00 O ATOM 576 CB ALA A 36 -7.858 -7.801 -10.003 1.00 0.00 C ATOM 0 H ALA A 36 -7.280 -5.719 -8.806 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.732 -6.956 -9.495 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.290 -8.747 -10.329 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.732 -7.144 -10.863 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.887 -7.985 -9.542 1.00 0.00 H new ATOM 582 N ARG A 37 -7.932 -8.434 -7.144 1.00 0.00 N ATOM 583 CA ARG A 37 -7.986 -9.275 -5.941 1.00 0.00 C ATOM 584 C ARG A 37 -6.785 -8.999 -5.054 1.00 0.00 C ATOM 585 O ARG A 37 -6.925 -8.454 -3.972 1.00 0.00 O ATOM 586 CB ARG A 37 -8.034 -10.797 -6.239 1.00 0.00 C ATOM 587 CG ARG A 37 -9.226 -11.276 -7.046 1.00 0.00 C ATOM 588 CD ARG A 37 -9.250 -12.783 -7.143 1.00 0.00 C ATOM 589 NE ARG A 37 -9.504 -13.422 -5.841 1.00 0.00 N ATOM 590 CZ ARG A 37 -9.098 -14.655 -5.500 1.00 0.00 C ATOM 591 NH1 ARG A 37 -8.295 -15.343 -6.306 1.00 0.00 N ATOM 592 NH2 ARG A 37 -9.483 -15.177 -4.345 1.00 0.00 N ATOM 0 H ARG A 37 -6.986 -8.171 -7.421 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.918 -9.010 -5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.124 -11.072 -6.772 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.022 -11.334 -5.291 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.148 -10.924 -6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.188 -10.845 -8.047 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.021 -13.087 -7.851 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.297 -13.135 -7.538 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.027 -12.888 -5.147 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.985 -14.934 -7.188 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.989 -16.280 -6.043 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.085 -14.642 -3.719 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.177 -16.114 -4.081 1.00 0.00 H new ATOM 606 N ARG A 38 -5.613 -9.369 -5.528 1.00 0.00 N ATOM 607 CA ARG A 38 -4.367 -9.223 -4.791 1.00 0.00 C ATOM 608 C ARG A 38 -3.194 -9.413 -5.739 1.00 0.00 C ATOM 609 O ARG A 38 -3.002 -10.497 -6.297 1.00 0.00 O ATOM 610 CB ARG A 38 -4.295 -10.257 -3.663 1.00 0.00 C ATOM 611 CG ARG A 38 -2.987 -10.280 -2.887 1.00 0.00 C ATOM 612 CD ARG A 38 -3.005 -11.367 -1.818 1.00 0.00 C ATOM 613 NE ARG A 38 -3.189 -12.705 -2.391 1.00 0.00 N ATOM 614 CZ ARG A 38 -3.437 -13.823 -1.698 1.00 0.00 C ATOM 615 NH1 ARG A 38 -3.591 -13.783 -0.367 1.00 0.00 N ATOM 616 NH2 ARG A 38 -3.559 -14.975 -2.335 1.00 0.00 N ATOM 0 H ARG A 38 -5.494 -9.787 -6.451 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.325 -8.225 -4.354 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.110 -10.066 -2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.464 -11.247 -4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.157 -10.452 -3.572 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.820 -9.309 -2.421 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.070 -11.339 -1.258 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.808 -11.164 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.122 -12.791 -3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.520 -12.894 0.128 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.780 -14.641 0.151 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.464 -15.009 -3.350 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.748 -15.830 -1.811 1.00 0.00 H new ATOM 630 N VAL A 39 -2.423 -8.375 -5.930 1.00 0.00 N ATOM 631 CA VAL A 39 -1.292 -8.421 -6.852 1.00 0.00 C ATOM 632 C VAL A 39 -0.018 -7.989 -6.104 1.00 0.00 C ATOM 633 O VAL A 39 -0.111 -7.417 -5.005 1.00 0.00 O ATOM 634 CB VAL A 39 -1.564 -7.496 -8.108 1.00 0.00 C ATOM 635 CG1 VAL A 39 -0.458 -7.575 -9.154 1.00 0.00 C ATOM 636 CG2 VAL A 39 -2.880 -7.869 -8.747 1.00 0.00 C ATOM 0 H VAL A 39 -2.549 -7.478 -5.462 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.157 -9.438 -7.220 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.594 -6.470 -7.741 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.701 -6.920 -9.990 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.486 -7.261 -8.709 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.368 -8.601 -9.511 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.060 -7.228 -9.610 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.846 -8.910 -9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.685 -7.739 -8.024 1.00 0.00 H new ATOM 646 N VAL A 40 1.136 -8.301 -6.658 1.00 0.00 N ATOM 647 CA VAL A 40 2.424 -7.922 -6.103 1.00 0.00 C ATOM 648 C VAL A 40 3.083 -6.909 -7.054 1.00 0.00 C ATOM 649 O VAL A 40 2.813 -6.927 -8.261 1.00 0.00 O ATOM 650 CB VAL A 40 3.348 -9.179 -5.892 1.00 0.00 C ATOM 651 CG1 VAL A 40 3.532 -9.963 -7.188 1.00 0.00 C ATOM 652 CG2 VAL A 40 4.711 -8.793 -5.313 1.00 0.00 C ATOM 0 H VAL A 40 1.209 -8.836 -7.524 1.00 0.00 H new ATOM 0 HA VAL A 40 2.278 -7.469 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 40 2.842 -9.820 -5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.175 -10.824 -7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.561 -10.305 -7.547 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.991 -9.321 -7.940 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.318 -9.689 -5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.216 -8.109 -5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.572 -8.306 -4.348 1.00 0.00 H new ATOM 662 N HIS A 41 3.886 -6.007 -6.523 1.00 0.00 N ATOM 663 CA HIS A 41 4.551 -5.037 -7.342 1.00 0.00 C ATOM 664 C HIS A 41 5.947 -4.906 -6.844 1.00 0.00 C ATOM 665 O HIS A 41 6.162 -4.590 -5.655 1.00 0.00 O ATOM 666 CB HIS A 41 3.839 -3.699 -7.229 1.00 0.00 C ATOM 667 CG HIS A 41 4.233 -2.621 -8.237 1.00 0.00 C ATOM 668 ND1 HIS A 41 4.933 -1.474 -7.915 1.00 0.00 N ATOM 669 CD2 HIS A 41 3.944 -2.507 -9.568 1.00 0.00 C ATOM 670 CE1 HIS A 41 5.062 -0.739 -9.013 1.00 0.00 C ATOM 671 NE2 HIS A 41 4.482 -1.318 -10.046 1.00 0.00 N ATOM 0 H HIS A 41 4.088 -5.933 -5.526 1.00 0.00 H new ATOM 0 HA HIS A 41 4.545 -5.348 -8.387 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.767 -3.876 -7.322 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.011 -3.306 -6.227 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.388 -3.224 -10.153 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.575 0.210 -9.055 1.00 0.00 H new ATOM 0 HE2 HIS A 41 4.437 -0.965 -11.002 1.00 0.00 H new ATOM 679 N ILE A 42 6.882 -5.200 -7.690 1.00 0.00 N ATOM 680 CA ILE A 42 8.248 -5.060 -7.338 1.00 0.00 C ATOM 681 C ILE A 42 8.626 -3.602 -7.559 1.00 0.00 C ATOM 682 O ILE A 42 8.041 -2.939 -8.421 1.00 0.00 O ATOM 683 CB ILE A 42 9.182 -6.035 -8.145 1.00 0.00 C ATOM 684 CG1 ILE A 42 10.624 -5.990 -7.599 1.00 0.00 C ATOM 685 CG2 ILE A 42 9.154 -5.727 -9.647 1.00 0.00 C ATOM 686 CD1 ILE A 42 11.587 -6.926 -8.296 1.00 0.00 C ATOM 0 H ILE A 42 6.716 -5.541 -8.637 1.00 0.00 H new ATOM 0 HA ILE A 42 8.388 -5.336 -6.293 1.00 0.00 H new ATOM 0 HB ILE A 42 8.798 -7.046 -8.011 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.000 -4.971 -7.686 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.605 -6.233 -6.537 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.811 -6.420 -10.173 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.136 -5.836 -10.022 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.495 -4.706 -9.815 1.00 0.00 H new ATOM 0 HD11 ILE A 42 12.576 -6.829 -7.849 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.239 -7.953 -8.188 1.00 0.00 H new ATOM 0 HD13 ILE A 42 11.641 -6.671 -9.354 1.00 0.00 H new ATOM 698 N LYS A 43 9.530 -3.102 -6.743 1.00 0.00 N ATOM 699 CA LYS A 43 9.995 -1.712 -6.797 1.00 0.00 C ATOM 700 C LYS A 43 8.886 -0.708 -6.367 1.00 0.00 C ATOM 701 O LYS A 43 8.590 0.216 -7.112 1.00 0.00 O ATOM 702 CB LYS A 43 10.540 -1.335 -8.207 1.00 0.00 C ATOM 703 CG LYS A 43 11.660 -2.220 -8.712 1.00 0.00 C ATOM 704 CD LYS A 43 12.100 -1.846 -10.115 1.00 0.00 C ATOM 705 CE LYS A 43 13.170 -2.805 -10.613 1.00 0.00 C ATOM 706 NZ LYS A 43 13.637 -2.477 -11.973 1.00 0.00 N ATOM 0 H LYS A 43 9.976 -3.651 -6.008 1.00 0.00 H new ATOM 0 HA LYS A 43 10.815 -1.639 -6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.717 -1.371 -8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.894 -0.304 -8.181 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.511 -2.147 -8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.332 -3.259 -8.701 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.243 -1.867 -10.788 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.486 -0.827 -10.122 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.017 -2.786 -9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.775 -3.821 -10.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.365 -3.160 -12.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.836 -2.521 -12.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.040 -1.518 -11.980 1.00 0.00 H new ATOM 720 N PRO A 44 8.223 -0.896 -5.180 1.00 0.00 N ATOM 721 CA PRO A 44 7.235 0.026 -4.696 1.00 0.00 C ATOM 722 C PRO A 44 7.893 1.117 -3.813 1.00 0.00 C ATOM 723 O PRO A 44 8.990 0.938 -3.294 1.00 0.00 O ATOM 724 CB PRO A 44 6.310 -0.870 -3.879 1.00 0.00 C ATOM 725 CG PRO A 44 7.195 -1.914 -3.322 1.00 0.00 C ATOM 726 CD PRO A 44 8.377 -2.014 -4.243 1.00 0.00 C ATOM 0 HA PRO A 44 6.714 0.567 -5.486 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.813 -0.309 -3.088 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.528 -1.305 -4.502 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.512 -1.654 -2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.674 -2.869 -3.256 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.314 -1.941 -3.692 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.389 -2.970 -4.767 1.00 0.00 H new ATOM 734 N GLY A 45 7.225 2.218 -3.648 1.00 0.00 N ATOM 735 CA GLY A 45 7.780 3.318 -2.884 1.00 0.00 C ATOM 736 C GLY A 45 6.692 4.096 -2.282 1.00 0.00 C ATOM 737 O GLY A 45 6.636 5.309 -2.384 1.00 0.00 O ATOM 0 H GLY A 45 6.294 2.389 -4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.442 2.937 -2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.382 3.956 -3.531 1.00 0.00 H new ATOM 741 N GLU A 46 5.791 3.392 -1.747 1.00 0.00 N ATOM 742 CA GLU A 46 4.641 3.926 -1.159 1.00 0.00 C ATOM 743 C GLU A 46 4.747 4.064 0.371 1.00 0.00 C ATOM 744 O GLU A 46 5.552 3.400 1.051 1.00 0.00 O ATOM 745 CB GLU A 46 3.498 2.991 -1.519 1.00 0.00 C ATOM 746 CG GLU A 46 3.309 1.739 -0.605 1.00 0.00 C ATOM 747 CD GLU A 46 4.525 0.808 -0.570 1.00 0.00 C ATOM 748 OE1 GLU A 46 5.334 0.829 -1.517 1.00 0.00 O ATOM 749 OE2 GLU A 46 4.742 0.129 0.436 1.00 0.00 O ATOM 0 H GLU A 46 5.835 2.374 -1.703 1.00 0.00 H new ATOM 0 HA GLU A 46 4.485 4.938 -1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.571 3.565 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.648 2.647 -2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.089 2.072 0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.442 1.176 -0.951 1.00 0.00 H new ATOM 756 N LYS A 47 3.952 4.945 0.860 1.00 0.00 N ATOM 757 CA LYS A 47 3.763 5.218 2.232 1.00 0.00 C ATOM 758 C LYS A 47 2.348 5.573 2.418 1.00 0.00 C ATOM 759 O LYS A 47 1.936 6.706 2.297 1.00 0.00 O ATOM 760 CB LYS A 47 4.712 6.247 2.798 1.00 0.00 C ATOM 761 CG LYS A 47 5.845 5.596 3.549 1.00 0.00 C ATOM 762 CD LYS A 47 5.318 4.861 4.788 1.00 0.00 C ATOM 763 CE LYS A 47 5.802 3.413 4.862 1.00 0.00 C ATOM 764 NZ LYS A 47 5.310 2.581 3.731 1.00 0.00 N ATOM 0 H LYS A 47 3.374 5.537 0.263 1.00 0.00 H new ATOM 0 HA LYS A 47 4.007 4.325 2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.113 6.858 1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.169 6.917 3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.365 4.894 2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.571 6.351 3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.637 5.393 5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.228 4.876 4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.892 3.399 4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.471 2.972 5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.723 1.629 3.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.273 2.513 3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.589 3.019 2.830 1.00 0.00 H new ATOM 778 N ILE A 48 1.598 4.572 2.606 1.00 0.00 N ATOM 779 CA ILE A 48 0.210 4.690 2.738 1.00 0.00 C ATOM 780 C ILE A 48 -0.208 4.955 4.158 1.00 0.00 C ATOM 781 O ILE A 48 -0.158 4.073 5.014 1.00 0.00 O ATOM 782 CB ILE A 48 -0.530 3.486 2.090 1.00 0.00 C ATOM 783 CG1 ILE A 48 0.180 2.149 2.439 1.00 0.00 C ATOM 784 CG2 ILE A 48 -0.623 3.685 0.574 1.00 0.00 C ATOM 785 CD1 ILE A 48 -0.355 0.933 1.712 1.00 0.00 C ATOM 0 H ILE A 48 1.942 3.614 2.675 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.098 5.573 2.178 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.541 3.435 2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.242 2.250 2.215 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.095 1.979 3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.143 2.838 0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.173 4.602 0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.380 3.758 0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.203 0.049 2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.409 0.799 1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.244 1.074 0.637 1.00 0.00 H new ATOM 797 N LEU A 49 -0.474 6.235 4.400 1.00 0.00 N ATOM 798 CA LEU A 49 -0.990 6.813 5.658 1.00 0.00 C ATOM 799 C LEU A 49 -0.016 6.730 6.826 1.00 0.00 C ATOM 800 O LEU A 49 -0.369 7.082 7.955 1.00 0.00 O ATOM 801 CB LEU A 49 -2.354 6.211 6.072 1.00 0.00 C ATOM 802 CG LEU A 49 -3.478 6.114 5.009 1.00 0.00 C ATOM 803 CD1 LEU A 49 -3.509 7.290 4.052 1.00 0.00 C ATOM 804 CD2 LEU A 49 -3.480 4.769 4.305 1.00 0.00 C ATOM 0 H LEU A 49 -0.330 6.949 3.686 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.126 7.869 5.426 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.170 5.206 6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.737 6.801 6.905 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.419 6.178 5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.320 7.155 3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.669 8.211 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.560 7.350 3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.283 4.745 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.524 4.619 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.634 3.976 5.036 1.00 0.00 H new ATOM 816 N GLY A 50 1.183 6.251 6.577 1.00 0.00 N ATOM 817 CA GLY A 50 2.168 6.089 7.636 1.00 0.00 C ATOM 818 C GLY A 50 1.938 4.815 8.446 1.00 0.00 C ATOM 819 O GLY A 50 2.847 4.311 9.109 1.00 0.00 O ATOM 0 H GLY A 50 1.504 5.965 5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.167 6.066 7.201 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.130 6.952 8.301 1.00 0.00 H new ATOM 823 N ALA A 51 0.723 4.326 8.385 1.00 0.00 N ATOM 824 CA ALA A 51 0.277 3.126 9.022 1.00 0.00 C ATOM 825 C ALA A 51 -0.827 2.594 8.143 1.00 0.00 C ATOM 826 O ALA A 51 -1.520 3.378 7.491 1.00 0.00 O ATOM 827 CB ALA A 51 -0.234 3.417 10.427 1.00 0.00 C ATOM 0 H ALA A 51 -0.018 4.787 7.857 1.00 0.00 H new ATOM 0 HA ALA A 51 1.084 2.402 9.135 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.568 2.489 10.892 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.568 3.853 11.023 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.068 4.117 10.373 1.00 0.00 H new ATOM 833 N ARG A 52 -1.008 1.308 8.101 1.00 0.00 N ATOM 834 CA ARG A 52 -1.999 0.745 7.217 1.00 0.00 C ATOM 835 C ARG A 52 -3.399 0.690 7.839 1.00 0.00 C ATOM 836 O ARG A 52 -3.655 -0.127 8.727 1.00 0.00 O ATOM 837 CB ARG A 52 -1.568 -0.655 6.737 1.00 0.00 C ATOM 838 CG ARG A 52 -2.419 -1.205 5.603 1.00 0.00 C ATOM 839 CD ARG A 52 -2.318 -0.285 4.410 1.00 0.00 C ATOM 840 NE ARG A 52 -3.126 -0.696 3.279 1.00 0.00 N ATOM 841 CZ ARG A 52 -3.736 0.176 2.456 1.00 0.00 C ATOM 842 NH1 ARG A 52 -3.721 1.471 2.718 1.00 0.00 N ATOM 843 NH2 ARG A 52 -4.354 -0.240 1.386 1.00 0.00 N ATOM 0 H ARG A 52 -0.491 0.630 8.660 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.064 1.416 6.360 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.529 -0.613 6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.610 -1.346 7.579 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.083 -2.206 5.334 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.458 -1.292 5.922 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.617 0.719 4.712 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.276 -0.226 4.097 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.237 -1.694 3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.244 1.817 3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.186 2.124 2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.378 -1.236 1.166 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.813 0.430 0.769 1.00 0.00 H new ATOM 857 N ILE A 53 -4.282 1.577 7.394 1.00 0.00 N ATOM 858 CA ILE A 53 -5.666 1.588 7.841 1.00 0.00 C ATOM 859 C ILE A 53 -6.514 1.525 6.590 1.00 0.00 C ATOM 860 O ILE A 53 -6.170 2.167 5.601 1.00 0.00 O ATOM 861 CB ILE A 53 -6.074 2.870 8.677 1.00 0.00 C ATOM 862 CG1 ILE A 53 -5.293 3.017 9.999 1.00 0.00 C ATOM 863 CG2 ILE A 53 -7.571 2.885 8.982 1.00 0.00 C ATOM 864 CD1 ILE A 53 -3.870 3.501 9.865 1.00 0.00 C ATOM 0 H ILE A 53 -4.058 2.305 6.716 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.814 0.744 8.515 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.814 3.717 8.041 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.834 3.709 10.645 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.283 2.051 10.504 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.816 3.778 9.557 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.133 2.889 8.048 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.834 1.999 9.559 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.414 3.568 10.853 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.304 2.801 9.251 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.863 4.484 9.394 1.00 0.00 H new ATOM 876 N ILE A 54 -7.555 0.718 6.606 1.00 0.00 N ATOM 877 CA ILE A 54 -8.421 0.570 5.463 1.00 0.00 C ATOM 878 C ILE A 54 -9.674 1.431 5.653 1.00 0.00 C ATOM 879 O ILE A 54 -10.172 2.039 4.729 1.00 0.00 O ATOM 880 CB ILE A 54 -8.841 -0.928 5.283 1.00 0.00 C ATOM 881 CG1 ILE A 54 -7.602 -1.850 5.202 1.00 0.00 C ATOM 882 CG2 ILE A 54 -9.719 -1.118 4.049 1.00 0.00 C ATOM 883 CD1 ILE A 54 -6.655 -1.549 4.052 1.00 0.00 C ATOM 0 H ILE A 54 -7.821 0.150 7.410 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.882 0.894 4.573 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.423 -1.206 6.162 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.049 -1.774 6.138 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.940 -2.882 5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.992 -2.169 3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.622 -0.516 4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.171 -0.804 3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.818 -2.247 4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.186 -1.655 3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.281 -0.530 4.146 1.00 0.00 H new ATOM 895 N GLY A 55 -10.184 1.455 6.862 1.00 0.00 N ATOM 896 CA GLY A 55 -11.400 2.207 7.142 1.00 0.00 C ATOM 897 C GLY A 55 -12.593 1.285 7.098 1.00 0.00 C ATOM 898 O GLY A 55 -13.630 1.534 7.712 1.00 0.00 O ATOM 0 H GLY A 55 -9.786 0.970 7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.329 2.678 8.122 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.520 3.007 6.411 1.00 0.00 H new ATOM 902 N ILE A 56 -12.436 0.238 6.340 1.00 0.00 N ATOM 903 CA ILE A 56 -13.404 -0.807 6.197 1.00 0.00 C ATOM 904 C ILE A 56 -12.796 -2.029 6.846 1.00 0.00 C ATOM 905 O ILE A 56 -11.797 -2.527 6.344 1.00 0.00 O ATOM 906 CB ILE A 56 -13.690 -1.115 4.689 1.00 0.00 C ATOM 907 CG1 ILE A 56 -14.360 0.076 3.990 1.00 0.00 C ATOM 908 CG2 ILE A 56 -14.528 -2.382 4.508 1.00 0.00 C ATOM 909 CD1 ILE A 56 -15.700 0.490 4.578 1.00 0.00 C ATOM 0 H ILE A 56 -11.595 0.085 5.783 1.00 0.00 H new ATOM 0 HA ILE A 56 -14.349 -0.516 6.655 1.00 0.00 H new ATOM 0 HB ILE A 56 -12.722 -1.289 4.219 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -13.683 0.929 4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -14.502 -0.171 2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -14.701 -2.555 3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -13.996 -3.234 4.933 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -15.485 -2.261 5.016 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -16.096 1.338 4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -16.399 -0.344 4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -15.567 0.773 5.622 1.00 0.00 H new ATOM 921 N PRO A 57 -13.329 -2.465 8.007 1.00 0.00 N ATOM 922 CA PRO A 57 -12.827 -3.641 8.724 1.00 0.00 C ATOM 923 C PRO A 57 -12.804 -4.882 7.830 1.00 0.00 C ATOM 924 O PRO A 57 -13.861 -5.399 7.438 1.00 0.00 O ATOM 925 CB PRO A 57 -13.834 -3.827 9.867 1.00 0.00 C ATOM 926 CG PRO A 57 -14.412 -2.477 10.073 1.00 0.00 C ATOM 927 CD PRO A 57 -14.453 -1.837 8.719 1.00 0.00 C ATOM 0 HA PRO A 57 -11.801 -3.505 9.067 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.604 -4.553 9.604 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.346 -4.193 10.771 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.411 -2.541 10.505 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -13.803 -1.893 10.763 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.402 -2.024 8.215 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -14.334 -0.755 8.783 1.00 0.00 H new ATOM 935 N PRO A 58 -11.611 -5.337 7.451 1.00 0.00 N ATOM 936 CA PRO A 58 -11.434 -6.491 6.618 1.00 0.00 C ATOM 937 C PRO A 58 -11.029 -7.674 7.459 1.00 0.00 C ATOM 938 O PRO A 58 -11.222 -7.674 8.682 1.00 0.00 O ATOM 939 CB PRO A 58 -10.244 -6.044 5.758 1.00 0.00 C ATOM 940 CG PRO A 58 -9.398 -5.203 6.675 1.00 0.00 C ATOM 941 CD PRO A 58 -10.299 -4.742 7.802 1.00 0.00 C ATOM 0 HA PRO A 58 -12.321 -6.791 6.060 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.686 -6.901 5.380 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.576 -5.472 4.891 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.558 -5.779 7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.980 -4.350 6.141 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.944 -5.093 8.771 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.352 -3.655 7.857 1.00 0.00 H new ATOM 949 N VAL A 59 -10.515 -8.680 6.823 1.00 0.00 N ATOM 950 CA VAL A 59 -10.012 -9.815 7.532 1.00 0.00 C ATOM 951 C VAL A 59 -8.694 -9.370 8.177 1.00 0.00 C ATOM 952 O VAL A 59 -7.785 -8.943 7.482 1.00 0.00 O ATOM 953 CB VAL A 59 -9.807 -11.023 6.591 1.00 0.00 C ATOM 954 CG1 VAL A 59 -9.217 -12.213 7.339 1.00 0.00 C ATOM 955 CG2 VAL A 59 -11.129 -11.418 5.953 1.00 0.00 C ATOM 0 H VAL A 59 -10.432 -8.738 5.808 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.721 -10.149 8.289 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.103 -10.727 5.813 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.085 -13.047 6.650 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.251 -11.935 7.761 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.892 -12.509 8.142 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.974 -12.270 5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.842 -11.688 6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.520 -10.579 5.378 1.00 0.00 H new ATOM 965 N PRO A 60 -8.603 -9.409 9.503 1.00 0.00 N ATOM 966 CA PRO A 60 -7.455 -8.858 10.249 1.00 0.00 C ATOM 967 C PRO A 60 -6.201 -9.752 10.245 1.00 0.00 C ATOM 968 O PRO A 60 -5.494 -9.839 11.257 1.00 0.00 O ATOM 969 CB PRO A 60 -8.020 -8.748 11.666 1.00 0.00 C ATOM 970 CG PRO A 60 -8.985 -9.874 11.770 1.00 0.00 C ATOM 971 CD PRO A 60 -9.615 -9.999 10.415 1.00 0.00 C ATOM 0 HA PRO A 60 -7.103 -7.926 9.807 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.232 -8.830 12.415 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.512 -7.788 11.824 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.479 -10.797 12.053 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.737 -9.675 12.534 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.823 -11.039 10.164 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.563 -9.463 10.363 1.00 0.00 H new ATOM 979 N ILE A 61 -5.880 -10.357 9.124 1.00 0.00 N ATOM 980 CA ILE A 61 -4.723 -11.220 9.080 1.00 0.00 C ATOM 981 C ILE A 61 -3.706 -10.614 8.108 1.00 0.00 C ATOM 982 O ILE A 61 -4.086 -9.898 7.187 1.00 0.00 O ATOM 983 CB ILE A 61 -5.122 -12.682 8.675 1.00 0.00 C ATOM 984 CG1 ILE A 61 -6.185 -13.226 9.648 1.00 0.00 C ATOM 985 CG2 ILE A 61 -3.905 -13.616 8.675 1.00 0.00 C ATOM 986 CD1 ILE A 61 -6.704 -14.605 9.293 1.00 0.00 C ATOM 0 H ILE A 61 -6.393 -10.270 8.246 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.273 -11.290 10.070 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.528 -12.648 7.664 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.761 -13.257 10.652 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.024 -12.531 9.678 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.217 -14.621 8.390 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.166 -13.250 7.963 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.466 -13.642 9.672 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.448 -14.914 10.027 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.160 -14.578 8.303 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.878 -15.316 9.293 1.00 0.00 H new ATOM 998 N GLY A 62 -2.438 -10.824 8.332 1.00 0.00 N ATOM 999 CA GLY A 62 -1.449 -10.277 7.438 1.00 0.00 C ATOM 1000 C GLY A 62 -0.067 -10.342 8.024 1.00 0.00 C ATOM 1001 O GLY A 62 0.122 -10.076 9.207 1.00 0.00 O ATOM 0 H GLY A 62 -2.066 -11.362 9.114 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.470 -10.824 6.495 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.699 -9.241 7.211 1.00 0.00 H new ATOM 1005 N ILE A 63 0.887 -10.696 7.211 1.00 0.00 N ATOM 1006 CA ILE A 63 2.253 -10.859 7.638 1.00 0.00 C ATOM 1007 C ILE A 63 3.183 -9.952 6.830 1.00 0.00 C ATOM 1008 O ILE A 63 3.340 -10.126 5.618 1.00 0.00 O ATOM 1009 CB ILE A 63 2.693 -12.336 7.439 1.00 0.00 C ATOM 1010 CG1 ILE A 63 1.736 -13.283 8.181 1.00 0.00 C ATOM 1011 CG2 ILE A 63 4.126 -12.542 7.915 1.00 0.00 C ATOM 1012 CD1 ILE A 63 2.010 -14.747 7.942 1.00 0.00 C ATOM 0 H ILE A 63 0.739 -10.883 6.219 1.00 0.00 H new ATOM 0 HA ILE A 63 2.316 -10.589 8.692 1.00 0.00 H new ATOM 0 HB ILE A 63 2.653 -12.566 6.374 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.800 -13.082 9.250 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.713 -13.061 7.876 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.413 -13.583 7.766 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.795 -11.896 7.346 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.197 -12.294 8.974 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.292 -15.347 8.500 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.916 -14.966 6.878 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.020 -14.987 8.274 1.00 0.00 H new ATOM 1024 N ASP A 64 3.781 -8.994 7.487 1.00 0.00 N ATOM 1025 CA ASP A 64 4.727 -8.096 6.836 1.00 0.00 C ATOM 1026 C ASP A 64 6.100 -8.696 7.022 1.00 0.00 C ATOM 1027 O ASP A 64 6.638 -8.675 8.124 1.00 0.00 O ATOM 1028 CB ASP A 64 4.694 -6.679 7.445 1.00 0.00 C ATOM 1029 CG ASP A 64 3.329 -6.026 7.400 1.00 0.00 C ATOM 1030 OD1 ASP A 64 2.947 -5.448 6.361 1.00 0.00 O ATOM 1031 OD2 ASP A 64 2.611 -6.062 8.420 1.00 0.00 O ATOM 0 H ASP A 64 3.636 -8.806 8.479 1.00 0.00 H new ATOM 0 HA ASP A 64 4.466 -7.992 5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.027 -6.731 8.481 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.406 -6.048 6.913 1.00 0.00 H new ATOM 1036 N GLU A 65 6.650 -9.252 5.971 1.00 0.00 N ATOM 1037 CA GLU A 65 7.927 -9.925 6.049 1.00 0.00 C ATOM 1038 C GLU A 65 9.095 -8.972 6.180 1.00 0.00 C ATOM 1039 O GLU A 65 9.775 -8.936 7.217 1.00 0.00 O ATOM 1040 CB GLU A 65 8.105 -10.831 4.835 1.00 0.00 C ATOM 1041 CG GLU A 65 7.139 -12.002 4.805 1.00 0.00 C ATOM 1042 CD GLU A 65 7.468 -13.034 5.848 1.00 0.00 C ATOM 1043 OE1 GLU A 65 7.320 -12.767 7.057 1.00 0.00 O ATOM 1044 OE2 GLU A 65 7.935 -14.124 5.476 1.00 0.00 O ATOM 0 H GLU A 65 6.230 -9.252 5.042 1.00 0.00 H new ATOM 0 HA GLU A 65 7.921 -10.523 6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.975 -10.240 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.126 -11.212 4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.124 -11.638 4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.161 -12.465 3.818 1.00 0.00 H new ATOM 1051 N GLU A 66 9.297 -8.181 5.169 1.00 0.00 N ATOM 1052 CA GLU A 66 10.414 -7.270 5.112 1.00 0.00 C ATOM 1053 C GLU A 66 10.119 -6.300 3.950 1.00 0.00 C ATOM 1054 O GLU A 66 9.070 -6.441 3.307 1.00 0.00 O ATOM 1055 CB GLU A 66 11.707 -8.148 4.956 1.00 0.00 C ATOM 1056 CG GLU A 66 13.070 -7.485 5.096 1.00 0.00 C ATOM 1057 CD GLU A 66 13.577 -6.967 3.801 1.00 0.00 C ATOM 1058 OE1 GLU A 66 13.861 -7.781 2.904 1.00 0.00 O ATOM 1059 OE2 GLU A 66 13.638 -5.752 3.636 1.00 0.00 O ATOM 0 H GLU A 66 8.689 -8.145 4.351 1.00 0.00 H new ATOM 0 HA GLU A 66 10.569 -6.657 6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.653 -8.948 5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.669 -8.618 3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.002 -6.666 5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.782 -8.204 5.502 1.00 0.00 H new ATOM 1066 N ARG A 67 10.984 -5.355 3.675 1.00 0.00 N ATOM 1067 CA ARG A 67 10.724 -4.372 2.638 1.00 0.00 C ATOM 1068 C ARG A 67 11.218 -4.907 1.295 1.00 0.00 C ATOM 1069 O ARG A 67 10.561 -4.764 0.269 1.00 0.00 O ATOM 1070 CB ARG A 67 11.424 -3.049 2.968 1.00 0.00 C ATOM 1071 CG ARG A 67 10.616 -1.792 2.623 1.00 0.00 C ATOM 1072 CD ARG A 67 10.196 -1.759 1.174 1.00 0.00 C ATOM 1073 NE ARG A 67 9.429 -0.557 0.835 1.00 0.00 N ATOM 1074 CZ ARG A 67 8.157 -0.545 0.381 1.00 0.00 C ATOM 1075 NH1 ARG A 67 7.414 -1.655 0.385 1.00 0.00 N ATOM 1076 NH2 ARG A 67 7.615 0.591 -0.030 1.00 0.00 N ATOM 0 H ARG A 67 11.878 -5.241 4.153 1.00 0.00 H new ATOM 0 HA ARG A 67 9.651 -4.189 2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.658 -3.033 4.033 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.373 -3.013 2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.730 -1.747 3.257 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.212 -0.907 2.846 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.082 -1.810 0.542 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.596 -2.642 0.954 1.00 0.00 H new ATOM 0 HE ARG A 67 9.894 0.344 0.951 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.806 -2.530 0.735 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.455 -1.628 0.038 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.158 1.454 -0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.655 0.603 -0.373 1.00 0.00 H new ATOM 1090 N SER A 68 12.347 -5.548 1.319 1.00 0.00 N ATOM 1091 CA SER A 68 12.941 -6.136 0.145 1.00 0.00 C ATOM 1092 C SER A 68 12.431 -7.583 -0.021 1.00 0.00 C ATOM 1093 O SER A 68 13.055 -8.446 -0.665 1.00 0.00 O ATOM 1094 CB SER A 68 14.481 -6.034 0.239 1.00 0.00 C ATOM 1095 OG SER A 68 15.143 -6.580 -0.898 1.00 0.00 O ATOM 0 H SER A 68 12.896 -5.682 2.168 1.00 0.00 H new ATOM 0 HA SER A 68 12.645 -5.594 -0.753 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.765 -4.987 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.821 -6.553 1.135 1.00 0.00 H new ATOM 0 HG SER A 68 14.669 -7.384 -1.198 1.00 0.00 H new ATOM 1101 N THR A 69 11.262 -7.789 0.503 1.00 0.00 N ATOM 1102 CA THR A 69 10.568 -9.033 0.489 1.00 0.00 C ATOM 1103 C THR A 69 9.070 -8.696 0.337 1.00 0.00 C ATOM 1104 O THR A 69 8.666 -7.551 0.582 1.00 0.00 O ATOM 1105 CB THR A 69 10.812 -9.802 1.829 1.00 0.00 C ATOM 1106 OG1 THR A 69 12.237 -9.896 2.111 1.00 0.00 O ATOM 1107 CG2 THR A 69 10.247 -11.221 1.778 1.00 0.00 C ATOM 0 H THR A 69 10.741 -7.051 0.977 1.00 0.00 H new ATOM 0 HA THR A 69 10.915 -9.669 -0.325 1.00 0.00 H new ATOM 0 HB THR A 69 10.303 -9.239 2.611 1.00 0.00 H new ATOM 0 HG1 THR A 69 12.595 -9.001 2.291 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.436 -11.722 2.727 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.173 -11.179 1.598 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.728 -11.775 0.972 1.00 0.00 H new ATOM 1115 N VAL A 70 8.283 -9.649 -0.078 1.00 0.00 N ATOM 1116 CA VAL A 70 6.852 -9.470 -0.236 1.00 0.00 C ATOM 1117 C VAL A 70 6.163 -9.528 1.110 1.00 0.00 C ATOM 1118 O VAL A 70 6.607 -10.232 2.018 1.00 0.00 O ATOM 1119 CB VAL A 70 6.225 -10.588 -1.139 1.00 0.00 C ATOM 1120 CG1 VAL A 70 6.671 -10.464 -2.576 1.00 0.00 C ATOM 1121 CG2 VAL A 70 6.556 -11.979 -0.613 1.00 0.00 C ATOM 0 H VAL A 70 8.612 -10.584 -0.320 1.00 0.00 H new ATOM 0 HA VAL A 70 6.706 -8.497 -0.706 1.00 0.00 H new ATOM 0 HB VAL A 70 5.145 -10.448 -1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.215 -11.257 -3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.365 -9.495 -2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.756 -10.551 -2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.106 -12.730 -1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.637 -12.114 -0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.162 -12.089 0.397 1.00 0.00 H new ATOM 1131 N MET A 71 5.146 -8.745 1.270 1.00 0.00 N ATOM 1132 CA MET A 71 4.372 -8.813 2.478 1.00 0.00 C ATOM 1133 C MET A 71 3.159 -9.631 2.127 1.00 0.00 C ATOM 1134 O MET A 71 2.610 -9.464 1.040 1.00 0.00 O ATOM 1135 CB MET A 71 3.988 -7.422 3.046 1.00 0.00 C ATOM 1136 CG MET A 71 3.029 -6.582 2.210 1.00 0.00 C ATOM 1137 SD MET A 71 2.661 -5.000 3.005 1.00 0.00 S ATOM 1138 CE MET A 71 1.470 -4.284 1.879 1.00 0.00 C ATOM 0 H MET A 71 4.829 -8.055 0.589 1.00 0.00 H new ATOM 0 HA MET A 71 4.955 -9.267 3.280 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.543 -7.567 4.030 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.904 -6.849 3.191 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.464 -6.403 1.227 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.103 -7.135 2.053 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.527 -3.197 1.933 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.690 -4.609 0.862 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.467 -4.609 2.155 1.00 0.00 H new ATOM 1148 N ILE A 72 2.768 -10.535 2.975 1.00 0.00 N ATOM 1149 CA ILE A 72 1.646 -11.400 2.672 1.00 0.00 C ATOM 1150 C ILE A 72 0.453 -11.026 3.543 1.00 0.00 C ATOM 1151 O ILE A 72 0.313 -11.522 4.662 1.00 0.00 O ATOM 1152 CB ILE A 72 1.994 -12.911 2.888 1.00 0.00 C ATOM 1153 CG1 ILE A 72 3.291 -13.303 2.147 1.00 0.00 C ATOM 1154 CG2 ILE A 72 0.839 -13.801 2.426 1.00 0.00 C ATOM 1155 CD1 ILE A 72 3.233 -13.135 0.640 1.00 0.00 C ATOM 0 H ILE A 72 3.203 -10.700 3.883 1.00 0.00 H new ATOM 0 HA ILE A 72 1.401 -11.259 1.619 1.00 0.00 H new ATOM 0 HB ILE A 72 2.154 -13.061 3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.112 -12.700 2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.524 -14.343 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.100 -14.847 2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.057 -13.560 2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.650 -13.631 1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.186 -13.434 0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.437 -13.759 0.235 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.034 -12.091 0.398 1.00 0.00 H new ATOM 1167 N PRO A 73 -0.391 -10.105 3.091 1.00 0.00 N ATOM 1168 CA PRO A 73 -1.535 -9.693 3.837 1.00 0.00 C ATOM 1169 C PRO A 73 -2.738 -10.565 3.546 1.00 0.00 C ATOM 1170 O PRO A 73 -2.924 -11.071 2.423 1.00 0.00 O ATOM 1171 CB PRO A 73 -1.792 -8.259 3.357 1.00 0.00 C ATOM 1172 CG PRO A 73 -0.818 -8.024 2.241 1.00 0.00 C ATOM 1173 CD PRO A 73 -0.303 -9.369 1.839 1.00 0.00 C ATOM 0 HA PRO A 73 -1.368 -9.766 4.912 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.819 -8.140 3.012 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.642 -7.543 4.165 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.303 -7.527 1.401 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.003 -7.378 2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.909 -9.822 1.055 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.719 -9.320 1.464 1.00 0.00 H new ATOM 1181 N TYR A 74 -3.540 -10.744 4.539 1.00 0.00 N ATOM 1182 CA TYR A 74 -4.744 -11.496 4.426 1.00 0.00 C ATOM 1183 C TYR A 74 -5.881 -10.622 4.842 1.00 0.00 C ATOM 1184 O TYR A 74 -6.748 -11.003 5.623 1.00 0.00 O ATOM 1185 CB TYR A 74 -4.693 -12.779 5.241 1.00 0.00 C ATOM 1186 CG TYR A 74 -3.818 -13.838 4.644 1.00 0.00 C ATOM 1187 CD1 TYR A 74 -4.292 -14.629 3.614 1.00 0.00 C ATOM 1188 CD2 TYR A 74 -2.523 -14.048 5.096 1.00 0.00 C ATOM 1189 CE1 TYR A 74 -3.510 -15.598 3.050 1.00 0.00 C ATOM 1190 CE2 TYR A 74 -1.731 -15.021 4.531 1.00 0.00 C ATOM 1191 CZ TYR A 74 -2.233 -15.793 3.507 1.00 0.00 C ATOM 1192 OH TYR A 74 -1.454 -16.764 2.934 1.00 0.00 O ATOM 0 H TYR A 74 -3.375 -10.364 5.471 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.880 -11.808 3.391 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.335 -12.548 6.244 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.704 -13.172 5.346 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.297 -14.479 3.249 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.133 -13.441 5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.897 -16.208 2.247 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -0.724 -15.178 4.888 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.575 -16.777 3.368 1.00 0.00 H new ATOM 1202 N THR A 75 -5.831 -9.421 4.359 1.00 0.00 N ATOM 1203 CA THR A 75 -6.846 -8.489 4.605 1.00 0.00 C ATOM 1204 C THR A 75 -7.736 -8.429 3.382 1.00 0.00 C ATOM 1205 O THR A 75 -7.290 -8.005 2.297 1.00 0.00 O ATOM 1206 CB THR A 75 -6.273 -7.094 4.893 1.00 0.00 C ATOM 1207 OG1 THR A 75 -5.393 -6.693 3.812 1.00 0.00 O ATOM 1208 CG2 THR A 75 -5.505 -7.072 6.197 1.00 0.00 C ATOM 0 H THR A 75 -5.069 -9.071 3.778 1.00 0.00 H new ATOM 0 HA THR A 75 -7.410 -8.801 5.484 1.00 0.00 H new ATOM 0 HB THR A 75 -7.108 -6.398 4.973 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.713 -7.079 2.970 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.112 -6.070 6.371 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.170 -7.349 7.015 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.679 -7.781 6.145 1.00 0.00 H new ATOM 1216 N LYS A 76 -8.936 -8.901 3.528 1.00 0.00 N ATOM 1217 CA LYS A 76 -9.911 -8.892 2.455 1.00 0.00 C ATOM 1218 C LYS A 76 -10.879 -7.725 2.671 1.00 0.00 C ATOM 1219 O LYS A 76 -11.773 -7.812 3.509 1.00 0.00 O ATOM 1220 CB LYS A 76 -10.664 -10.234 2.439 1.00 0.00 C ATOM 1221 CG LYS A 76 -11.721 -10.398 1.349 1.00 0.00 C ATOM 1222 CD LYS A 76 -11.128 -10.329 -0.044 1.00 0.00 C ATOM 1223 CE LYS A 76 -12.160 -10.727 -1.083 1.00 0.00 C ATOM 1224 NZ LYS A 76 -11.656 -10.588 -2.457 1.00 0.00 N ATOM 0 H LYS A 76 -9.279 -9.309 4.398 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.415 -8.764 1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.934 -11.036 2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.146 -10.369 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.228 -11.354 1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.476 -9.620 1.459 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.773 -9.318 -0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.263 -10.989 -0.110 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.463 -11.760 -0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.050 -10.110 -0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.397 -10.872 -3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.391 -9.597 -2.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.822 -11.196 -2.584 1.00 0.00 H new ATOM 1238 N PRO A 77 -10.649 -6.582 2.004 1.00 0.00 N ATOM 1239 CA PRO A 77 -11.496 -5.423 2.117 1.00 0.00 C ATOM 1240 C PRO A 77 -12.398 -5.259 0.883 1.00 0.00 C ATOM 1241 O PRO A 77 -12.501 -6.164 0.049 1.00 0.00 O ATOM 1242 CB PRO A 77 -10.460 -4.301 2.165 1.00 0.00 C ATOM 1243 CG PRO A 77 -9.296 -4.809 1.348 1.00 0.00 C ATOM 1244 CD PRO A 77 -9.522 -6.293 1.119 1.00 0.00 C ATOM 0 HA PRO A 77 -12.176 -5.459 2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -10.860 -3.376 1.749 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -10.159 -4.086 3.190 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.232 -4.278 0.398 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.355 -4.639 1.872 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.758 -6.512 0.077 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.642 -6.882 1.377 1.00 0.00 H new ATOM 1252 N CYS A 78 -12.996 -4.092 0.745 1.00 0.00 N ATOM 1253 CA CYS A 78 -13.895 -3.810 -0.358 1.00 0.00 C ATOM 1254 C CYS A 78 -13.104 -3.613 -1.660 1.00 0.00 C ATOM 1255 O CYS A 78 -13.630 -3.791 -2.760 1.00 0.00 O ATOM 1256 CB CYS A 78 -14.732 -2.556 -0.024 1.00 0.00 C ATOM 1257 SG CYS A 78 -15.982 -2.107 -1.251 1.00 0.00 S ATOM 0 H CYS A 78 -12.873 -3.314 1.393 1.00 0.00 H new ATOM 0 HA CYS A 78 -14.567 -4.656 -0.504 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -15.228 -2.716 0.933 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -14.055 -1.712 0.105 1.00 0.00 H new ATOM 0 HG CYS A 78 -15.399 -1.626 -2.309 1.00 0.00 H new ATOM 1263 N TYR A 79 -11.832 -3.288 -1.532 1.00 0.00 N ATOM 1264 CA TYR A 79 -11.018 -3.035 -2.694 1.00 0.00 C ATOM 1265 C TYR A 79 -10.236 -4.298 -3.097 1.00 0.00 C ATOM 1266 O TYR A 79 -10.711 -5.097 -3.908 1.00 0.00 O ATOM 1267 CB TYR A 79 -10.093 -1.833 -2.442 1.00 0.00 C ATOM 1268 CG TYR A 79 -9.347 -1.300 -3.655 1.00 0.00 C ATOM 1269 CD1 TYR A 79 -9.954 -0.389 -4.502 1.00 0.00 C ATOM 1270 CD2 TYR A 79 -8.034 -1.680 -3.931 1.00 0.00 C ATOM 1271 CE1 TYR A 79 -9.287 0.128 -5.590 1.00 0.00 C ATOM 1272 CE2 TYR A 79 -7.354 -1.159 -5.018 1.00 0.00 C ATOM 1273 CZ TYR A 79 -7.997 -0.251 -5.846 1.00 0.00 C ATOM 1274 OH TYR A 79 -7.347 0.284 -6.930 1.00 0.00 O ATOM 0 H TYR A 79 -11.347 -3.195 -0.640 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.664 -2.781 -3.534 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.689 -1.023 -2.022 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.361 -2.115 -1.685 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.969 -0.078 -4.306 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.540 -2.392 -3.286 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.782 0.833 -6.242 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.335 -1.456 -5.219 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.519 -0.214 -7.094 1.00 0.00 H new ATOM 1284 N GLY A 80 -9.093 -4.511 -2.477 1.00 0.00 N ATOM 1285 CA GLY A 80 -8.262 -5.641 -2.796 1.00 0.00 C ATOM 1286 C GLY A 80 -7.094 -5.704 -1.862 1.00 0.00 C ATOM 1287 O GLY A 80 -6.971 -4.848 -0.986 1.00 0.00 O ATOM 0 H GLY A 80 -8.721 -3.907 -1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.843 -6.560 -2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.910 -5.564 -3.825 1.00 0.00 H new ATOM 1291 N THR A 81 -6.251 -6.666 -2.029 1.00 0.00 N ATOM 1292 CA THR A 81 -5.124 -6.844 -1.171 1.00 0.00 C ATOM 1293 C THR A 81 -3.856 -6.421 -1.924 1.00 0.00 C ATOM 1294 O THR A 81 -3.732 -6.636 -3.139 1.00 0.00 O ATOM 1295 CB THR A 81 -5.036 -8.303 -0.713 1.00 0.00 C ATOM 1296 OG1 THR A 81 -6.341 -8.751 -0.279 1.00 0.00 O ATOM 1297 CG2 THR A 81 -4.065 -8.458 0.442 1.00 0.00 C ATOM 0 H THR A 81 -6.324 -7.360 -2.773 1.00 0.00 H new ATOM 0 HA THR A 81 -5.230 -6.224 -0.281 1.00 0.00 H new ATOM 0 HB THR A 81 -4.683 -8.900 -1.554 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.526 -8.401 0.617 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.024 -9.504 0.745 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.073 -8.132 0.130 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.399 -7.850 1.282 1.00 0.00 H new ATOM 1305 N ALA A 82 -2.925 -5.865 -1.211 1.00 0.00 N ATOM 1306 CA ALA A 82 -1.730 -5.338 -1.812 1.00 0.00 C ATOM 1307 C ALA A 82 -0.457 -6.008 -1.314 1.00 0.00 C ATOM 1308 O ALA A 82 -0.183 -6.022 -0.139 1.00 0.00 O ATOM 1309 CB ALA A 82 -1.657 -3.845 -1.505 1.00 0.00 C ATOM 0 H ALA A 82 -2.968 -5.762 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.790 -5.532 -2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.756 -3.425 -1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.534 -3.346 -1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.629 -3.696 -0.426 1.00 0.00 H new ATOM 1315 N VAL A 83 0.297 -6.573 -2.221 1.00 0.00 N ATOM 1316 CA VAL A 83 1.578 -7.167 -1.904 1.00 0.00 C ATOM 1317 C VAL A 83 2.648 -6.267 -2.527 1.00 0.00 C ATOM 1318 O VAL A 83 2.611 -5.991 -3.728 1.00 0.00 O ATOM 1319 CB VAL A 83 1.697 -8.609 -2.477 1.00 0.00 C ATOM 1320 CG1 VAL A 83 3.025 -9.233 -2.095 1.00 0.00 C ATOM 1321 CG2 VAL A 83 0.550 -9.483 -1.989 1.00 0.00 C ATOM 0 H VAL A 83 0.042 -6.636 -3.207 1.00 0.00 H new ATOM 0 HA VAL A 83 1.697 -7.245 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 83 1.644 -8.541 -3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.085 -10.241 -2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.839 -8.628 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.106 -9.279 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.655 -10.486 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.570 -9.536 -0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.398 -9.054 -2.314 1.00 0.00 H new ATOM 1331 N VAL A 84 3.518 -5.741 -1.716 1.00 0.00 N ATOM 1332 CA VAL A 84 4.583 -4.863 -2.174 1.00 0.00 C ATOM 1333 C VAL A 84 5.937 -5.573 -1.952 1.00 0.00 C ATOM 1334 O VAL A 84 6.069 -6.340 -0.986 1.00 0.00 O ATOM 1335 CB VAL A 84 4.555 -3.511 -1.379 1.00 0.00 C ATOM 1336 CG1 VAL A 84 3.250 -2.778 -1.617 1.00 0.00 C ATOM 1337 CG2 VAL A 84 4.759 -3.714 0.111 1.00 0.00 C ATOM 0 H VAL A 84 3.519 -5.903 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 84 4.445 -4.642 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 84 5.385 -2.911 -1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.250 -1.843 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.142 -2.564 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.418 -3.399 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.731 -2.749 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.967 -4.352 0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.725 -4.187 0.285 1.00 0.00 H new ATOM 1347 N GLU A 85 6.898 -5.392 -2.855 1.00 0.00 N ATOM 1348 CA GLU A 85 8.231 -5.992 -2.693 1.00 0.00 C ATOM 1349 C GLU A 85 9.292 -5.098 -3.326 1.00 0.00 C ATOM 1350 O GLU A 85 9.299 -4.897 -4.535 1.00 0.00 O ATOM 1351 CB GLU A 85 8.312 -7.361 -3.358 1.00 0.00 C ATOM 1352 CG GLU A 85 9.663 -8.032 -3.166 1.00 0.00 C ATOM 1353 CD GLU A 85 9.880 -9.197 -4.083 1.00 0.00 C ATOM 1354 OE1 GLU A 85 10.193 -8.970 -5.259 1.00 0.00 O ATOM 1355 OE2 GLU A 85 9.772 -10.358 -3.655 1.00 0.00 O ATOM 0 H GLU A 85 6.785 -4.838 -3.704 1.00 0.00 H new ATOM 0 HA GLU A 85 8.406 -6.099 -1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.531 -8.004 -2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.113 -7.254 -4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.452 -7.298 -3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.750 -8.370 -2.133 1.00 0.00 H new ATOM 1362 N LEU A 86 10.180 -4.572 -2.540 1.00 0.00 N ATOM 1363 CA LEU A 86 11.217 -3.703 -3.053 1.00 0.00 C ATOM 1364 C LEU A 86 12.476 -4.550 -3.317 1.00 0.00 C ATOM 1365 O LEU A 86 12.692 -5.523 -2.643 1.00 0.00 O ATOM 1366 CB LEU A 86 11.502 -2.605 -2.003 1.00 0.00 C ATOM 1367 CG LEU A 86 12.425 -1.450 -2.404 1.00 0.00 C ATOM 1368 CD1 LEU A 86 11.784 -0.566 -3.456 1.00 0.00 C ATOM 1369 CD2 LEU A 86 12.825 -0.632 -1.187 1.00 0.00 C ATOM 0 H LEU A 86 10.215 -4.725 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 86 10.909 -3.228 -3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.546 -2.179 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.931 -3.086 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 86 13.325 -1.884 -2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.467 0.243 -3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.566 -1.158 -4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.858 -0.147 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.480 0.183 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.932 -0.221 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.350 -1.270 -0.476 1.00 0.00 H new ATOM 1381 N PRO A 87 13.252 -4.275 -4.376 1.00 0.00 N ATOM 1382 CA PRO A 87 14.504 -5.007 -4.626 1.00 0.00 C ATOM 1383 C PRO A 87 15.702 -4.271 -4.013 1.00 0.00 C ATOM 1384 O PRO A 87 16.849 -4.734 -4.057 1.00 0.00 O ATOM 1385 CB PRO A 87 14.588 -4.987 -6.138 1.00 0.00 C ATOM 1386 CG PRO A 87 13.986 -3.683 -6.528 1.00 0.00 C ATOM 1387 CD PRO A 87 12.946 -3.346 -5.478 1.00 0.00 C ATOM 0 HA PRO A 87 14.518 -6.007 -4.193 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.620 -5.065 -6.479 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.043 -5.823 -6.577 1.00 0.00 H new ATOM 0 HG2 PRO A 87 14.748 -2.906 -6.580 1.00 0.00 H new ATOM 0 HG3 PRO A 87 13.530 -3.748 -7.516 1.00 0.00 H new ATOM 0 HD2 PRO A 87 13.021 -2.307 -5.159 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.934 -3.491 -5.855 1.00 0.00 H new ATOM 1395 N VAL A 88 15.411 -3.134 -3.443 1.00 0.00 N ATOM 1396 CA VAL A 88 16.398 -2.287 -2.834 1.00 0.00 C ATOM 1397 C VAL A 88 16.474 -2.688 -1.387 1.00 0.00 C ATOM 1398 O VAL A 88 15.496 -3.211 -0.844 1.00 0.00 O ATOM 1399 CB VAL A 88 16.007 -0.781 -2.941 1.00 0.00 C ATOM 1400 CG1 VAL A 88 17.123 0.140 -2.456 1.00 0.00 C ATOM 1401 CG2 VAL A 88 15.582 -0.413 -4.353 1.00 0.00 C ATOM 0 H VAL A 88 14.462 -2.764 -3.388 1.00 0.00 H new ATOM 0 HA VAL A 88 17.356 -2.405 -3.341 1.00 0.00 H new ATOM 0 HB VAL A 88 15.152 -0.635 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.804 1.178 -2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 88 17.347 -0.078 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 88 18.016 -0.021 -3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.317 0.644 -4.389 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.404 -0.605 -5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.719 -1.014 -4.642 1.00 0.00 H new ATOM 1411 N ASP A 89 17.595 -2.447 -0.788 1.00 0.00 N ATOM 1412 CA ASP A 89 17.861 -2.824 0.575 1.00 0.00 C ATOM 1413 C ASP A 89 16.899 -2.184 1.561 1.00 0.00 C ATOM 1414 O ASP A 89 16.411 -1.057 1.341 1.00 0.00 O ATOM 1415 CB ASP A 89 19.308 -2.512 0.949 1.00 0.00 C ATOM 1416 CG ASP A 89 20.303 -3.416 0.282 1.00 0.00 C ATOM 1417 OD1 ASP A 89 20.595 -3.234 -0.913 1.00 0.00 O ATOM 1418 OD2 ASP A 89 20.819 -4.334 0.942 1.00 0.00 O ATOM 0 H ASP A 89 18.376 -1.970 -1.239 1.00 0.00 H new ATOM 0 HA ASP A 89 17.704 -3.901 0.639 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.530 -1.479 0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 89 19.422 -2.593 2.030 1.00 0.00 H new ATOM 1423 N PRO A 90 16.615 -2.888 2.685 1.00 0.00 N ATOM 1424 CA PRO A 90 15.711 -2.412 3.743 1.00 0.00 C ATOM 1425 C PRO A 90 16.164 -1.088 4.382 1.00 0.00 C ATOM 1426 O PRO A 90 15.453 -0.523 5.213 1.00 0.00 O ATOM 1427 CB PRO A 90 15.720 -3.543 4.784 1.00 0.00 C ATOM 1428 CG PRO A 90 16.934 -4.346 4.475 1.00 0.00 C ATOM 1429 CD PRO A 90 17.121 -4.246 2.994 1.00 0.00 C ATOM 0 HA PRO A 90 14.722 -2.197 3.339 1.00 0.00 H new ATOM 0 HB2 PRO A 90 15.758 -3.145 5.798 1.00 0.00 H new ATOM 0 HB3 PRO A 90 14.818 -4.150 4.714 1.00 0.00 H new ATOM 0 HG2 PRO A 90 17.804 -3.960 5.006 1.00 0.00 H new ATOM 0 HG3 PRO A 90 16.806 -5.383 4.784 1.00 0.00 H new ATOM 0 HD2 PRO A 90 18.167 -4.361 2.711 1.00 0.00 H new ATOM 0 HD3 PRO A 90 16.561 -5.016 2.464 1.00 0.00 H new ATOM 1437 N GLU A 91 17.347 -0.606 4.011 1.00 0.00 N ATOM 1438 CA GLU A 91 17.870 0.676 4.483 1.00 0.00 C ATOM 1439 C GLU A 91 16.908 1.802 4.079 1.00 0.00 C ATOM 1440 O GLU A 91 16.797 2.830 4.763 1.00 0.00 O ATOM 1441 CB GLU A 91 19.264 0.946 3.888 1.00 0.00 C ATOM 1442 CG GLU A 91 19.301 0.952 2.363 1.00 0.00 C ATOM 1443 CD GLU A 91 20.659 1.281 1.812 1.00 0.00 C ATOM 1444 OE1 GLU A 91 21.078 2.449 1.903 1.00 0.00 O ATOM 1445 OE2 GLU A 91 21.319 0.388 1.252 1.00 0.00 O ATOM 0 H GLU A 91 17.974 -1.095 3.372 1.00 0.00 H new ATOM 0 HA GLU A 91 17.958 0.640 5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.623 1.908 4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.956 0.188 4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.992 -0.026 1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 91 18.578 1.677 1.990 1.00 0.00 H new ATOM 1452 N GLU A 92 16.180 1.564 2.984 1.00 0.00 N ATOM 1453 CA GLU A 92 15.191 2.486 2.462 1.00 0.00 C ATOM 1454 C GLU A 92 14.092 2.764 3.456 1.00 0.00 C ATOM 1455 O GLU A 92 13.537 3.832 3.442 1.00 0.00 O ATOM 1456 CB GLU A 92 14.603 1.961 1.152 1.00 0.00 C ATOM 1457 CG GLU A 92 15.342 2.419 -0.091 1.00 0.00 C ATOM 1458 CD GLU A 92 14.979 3.841 -0.483 1.00 0.00 C ATOM 1459 OE1 GLU A 92 15.369 4.809 0.220 1.00 0.00 O ATOM 1460 OE2 GLU A 92 14.289 4.024 -1.512 1.00 0.00 O ATOM 0 H GLU A 92 16.269 0.710 2.434 1.00 0.00 H new ATOM 0 HA GLU A 92 15.702 3.429 2.269 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.601 0.871 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.563 2.280 1.080 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.416 2.355 0.083 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.112 1.746 -0.917 1.00 0.00 H new ATOM 1467 N ILE A 93 13.828 1.818 4.363 1.00 0.00 N ATOM 1468 CA ILE A 93 12.751 1.960 5.349 1.00 0.00 C ATOM 1469 C ILE A 93 12.942 3.224 6.173 1.00 0.00 C ATOM 1470 O ILE A 93 12.001 3.918 6.418 1.00 0.00 O ATOM 1471 CB ILE A 93 12.656 0.742 6.312 1.00 0.00 C ATOM 1472 CG1 ILE A 93 12.358 -0.558 5.561 1.00 0.00 C ATOM 1473 CG2 ILE A 93 11.604 0.971 7.411 1.00 0.00 C ATOM 1474 CD1 ILE A 93 12.351 -1.790 6.460 1.00 0.00 C ATOM 0 H ILE A 93 14.347 0.943 4.435 1.00 0.00 H new ATOM 0 HA ILE A 93 11.823 2.017 4.781 1.00 0.00 H new ATOM 0 HB ILE A 93 13.633 0.643 6.785 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.389 -0.471 5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.102 -0.694 4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.565 0.100 8.065 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.873 1.851 7.995 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.627 1.125 6.953 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.133 -2.675 5.862 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.327 -1.902 6.932 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.587 -1.675 7.229 1.00 0.00 H new ATOM 1486 N GLU A 94 14.180 3.528 6.545 1.00 0.00 N ATOM 1487 CA GLU A 94 14.468 4.721 7.364 1.00 0.00 C ATOM 1488 C GLU A 94 14.025 5.978 6.620 1.00 0.00 C ATOM 1489 O GLU A 94 13.302 6.830 7.156 1.00 0.00 O ATOM 1490 CB GLU A 94 15.961 4.806 7.669 1.00 0.00 C ATOM 1491 CG GLU A 94 16.342 5.980 8.553 1.00 0.00 C ATOM 1492 CD GLU A 94 17.824 6.128 8.696 1.00 0.00 C ATOM 1493 OE1 GLU A 94 18.440 6.812 7.869 1.00 0.00 O ATOM 1494 OE2 GLU A 94 18.410 5.560 9.645 1.00 0.00 O ATOM 0 H GLU A 94 15.002 2.975 6.300 1.00 0.00 H new ATOM 0 HA GLU A 94 13.919 4.642 8.302 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.276 3.882 8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.510 4.877 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.927 6.897 8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.896 5.849 9.539 1.00 0.00 H new ATOM 1501 N ARG A 95 14.416 6.033 5.369 1.00 0.00 N ATOM 1502 CA ARG A 95 14.107 7.126 4.482 1.00 0.00 C ATOM 1503 C ARG A 95 12.586 7.166 4.259 1.00 0.00 C ATOM 1504 O ARG A 95 11.951 8.207 4.369 1.00 0.00 O ATOM 1505 CB ARG A 95 14.904 6.900 3.160 1.00 0.00 C ATOM 1506 CG ARG A 95 14.881 8.031 2.128 1.00 0.00 C ATOM 1507 CD ARG A 95 13.589 8.094 1.331 1.00 0.00 C ATOM 1508 NE ARG A 95 13.392 6.922 0.459 1.00 0.00 N ATOM 1509 CZ ARG A 95 12.323 6.754 -0.338 1.00 0.00 C ATOM 1510 NH1 ARG A 95 11.356 7.672 -0.368 1.00 0.00 N ATOM 1511 NH2 ARG A 95 12.244 5.701 -1.134 1.00 0.00 N ATOM 0 H ARG A 95 14.972 5.299 4.930 1.00 0.00 H new ATOM 0 HA ARG A 95 14.397 8.091 4.897 1.00 0.00 H new ATOM 0 HB2 ARG A 95 15.943 6.702 3.422 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.519 5.999 2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.031 8.982 2.639 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.717 7.903 1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 95 12.748 8.173 2.019 1.00 0.00 H new ATOM 0 HD3 ARG A 95 13.588 8.998 0.721 1.00 0.00 H new ATOM 0 HE ARG A 95 14.109 6.196 0.461 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.426 8.506 0.215 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.546 7.540 -0.974 1.00 0.00 H new ATOM 0 HH21 ARG A 95 12.996 5.012 -1.145 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.431 5.578 -1.737 1.00 0.00 H new ATOM 1525 N ILE A 96 12.022 6.003 4.040 1.00 0.00 N ATOM 1526 CA ILE A 96 10.608 5.835 3.768 1.00 0.00 C ATOM 1527 C ILE A 96 9.746 6.132 5.022 1.00 0.00 C ATOM 1528 O ILE A 96 8.629 6.596 4.911 1.00 0.00 O ATOM 1529 CB ILE A 96 10.332 4.398 3.192 1.00 0.00 C ATOM 1530 CG1 ILE A 96 11.021 4.229 1.828 1.00 0.00 C ATOM 1531 CG2 ILE A 96 8.856 4.126 3.049 1.00 0.00 C ATOM 1532 CD1 ILE A 96 10.859 2.851 1.205 1.00 0.00 C ATOM 0 H ILE A 96 12.542 5.125 4.045 1.00 0.00 H new ATOM 0 HA ILE A 96 10.315 6.563 3.011 1.00 0.00 H new ATOM 0 HB ILE A 96 10.742 3.679 3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 96 10.623 4.974 1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 96 12.084 4.438 1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.708 3.123 2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.376 4.201 4.025 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.415 4.857 2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 96 11.376 2.822 0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.284 2.099 1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.800 2.643 1.052 1.00 0.00 H new ATOM 1544 N LEU A 97 10.306 5.919 6.194 1.00 0.00 N ATOM 1545 CA LEU A 97 9.621 6.146 7.463 1.00 0.00 C ATOM 1546 C LEU A 97 9.441 7.635 7.702 1.00 0.00 C ATOM 1547 O LEU A 97 8.487 8.065 8.344 1.00 0.00 O ATOM 1548 CB LEU A 97 10.421 5.517 8.615 1.00 0.00 C ATOM 1549 CG LEU A 97 9.806 5.603 10.016 1.00 0.00 C ATOM 1550 CD1 LEU A 97 8.493 4.831 10.083 1.00 0.00 C ATOM 1551 CD2 LEU A 97 10.786 5.086 11.055 1.00 0.00 C ATOM 0 H LEU A 97 11.262 5.579 6.301 1.00 0.00 H new ATOM 0 HA LEU A 97 8.638 5.677 7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.583 4.465 8.380 1.00 0.00 H new ATOM 0 HB3 LEU A 97 11.402 5.992 8.646 1.00 0.00 H new ATOM 0 HG LEU A 97 9.591 6.650 10.232 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.077 4.908 11.087 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.788 5.250 9.365 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.675 3.783 9.844 1.00 0.00 H new ATOM 0 HD21 LEU A 97 10.336 5.153 12.045 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.032 4.046 10.838 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.695 5.687 11.028 1.00 0.00 H new ATOM 1563 N GLU A 98 10.355 8.418 7.176 1.00 0.00 N ATOM 1564 CA GLU A 98 10.266 9.858 7.291 1.00 0.00 C ATOM 1565 C GLU A 98 9.240 10.352 6.277 1.00 0.00 C ATOM 1566 O GLU A 98 8.497 11.319 6.506 1.00 0.00 O ATOM 1567 CB GLU A 98 11.605 10.491 6.981 1.00 0.00 C ATOM 1568 CG GLU A 98 11.644 11.971 7.297 1.00 0.00 C ATOM 1569 CD GLU A 98 12.903 12.632 6.851 1.00 0.00 C ATOM 1570 OE1 GLU A 98 13.891 12.667 7.619 1.00 0.00 O ATOM 1571 OE2 GLU A 98 12.925 13.158 5.728 1.00 0.00 O ATOM 0 H GLU A 98 11.170 8.082 6.663 1.00 0.00 H new ATOM 0 HA GLU A 98 9.974 10.128 8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.382 9.982 7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.835 10.344 5.926 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.795 12.461 6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.529 12.110 8.372 1.00 0.00 H new ATOM 1578 N VAL A 99 9.185 9.638 5.183 1.00 0.00 N ATOM 1579 CA VAL A 99 8.314 9.914 4.062 1.00 0.00 C ATOM 1580 C VAL A 99 6.935 9.215 4.293 1.00 0.00 C ATOM 1581 O VAL A 99 6.124 9.070 3.396 1.00 0.00 O ATOM 1582 CB VAL A 99 9.041 9.440 2.739 1.00 0.00 C ATOM 1583 CG1 VAL A 99 8.207 9.640 1.473 1.00 0.00 C ATOM 1584 CG2 VAL A 99 10.348 10.199 2.580 1.00 0.00 C ATOM 0 H VAL A 99 9.768 8.814 5.039 1.00 0.00 H new ATOM 0 HA VAL A 99 8.110 10.980 3.963 1.00 0.00 H new ATOM 0 HB VAL A 99 9.208 8.369 2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.771 9.292 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.280 9.072 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.975 10.698 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.850 9.873 1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.143 11.268 2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.990 10.001 3.438 1.00 0.00 H new ATOM 1594 N ALA A 100 6.700 8.809 5.548 1.00 0.00 N ATOM 1595 CA ALA A 100 5.438 8.175 5.964 1.00 0.00 C ATOM 1596 C ALA A 100 4.234 9.022 5.593 1.00 0.00 C ATOM 1597 O ALA A 100 3.253 8.515 5.041 1.00 0.00 O ATOM 1598 CB ALA A 100 5.445 7.888 7.453 1.00 0.00 C ATOM 0 H ALA A 100 7.377 8.910 6.304 1.00 0.00 H new ATOM 0 HA ALA A 100 5.357 7.230 5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.503 7.420 7.738 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.270 7.217 7.690 1.00 0.00 H new ATOM 0 HB3 ALA A 100 5.567 8.821 8.003 1.00 0.00 H new ATOM 1604 N GLU A 101 4.313 10.286 5.908 1.00 0.00 N ATOM 1605 CA GLU A 101 3.286 11.229 5.582 1.00 0.00 C ATOM 1606 C GLU A 101 3.936 12.505 5.031 1.00 0.00 C ATOM 1607 O GLU A 101 4.281 13.413 5.801 1.00 0.00 O ATOM 1608 CB GLU A 101 2.437 11.578 6.801 1.00 0.00 C ATOM 1609 CG GLU A 101 1.609 10.447 7.374 1.00 0.00 C ATOM 1610 CD GLU A 101 0.879 10.888 8.602 1.00 0.00 C ATOM 1611 OE1 GLU A 101 0.049 11.808 8.511 1.00 0.00 O ATOM 1612 OE2 GLU A 101 1.162 10.373 9.701 1.00 0.00 O ATOM 0 H GLU A 101 5.105 10.693 6.405 1.00 0.00 H new ATOM 0 HA GLU A 101 2.632 10.779 4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.096 11.953 7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.766 12.394 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.895 10.099 6.627 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.256 9.603 7.614 1.00 0.00 H new ATOM 1619 N PRO A 102 4.181 12.567 3.720 1.00 0.00 N ATOM 1620 CA PRO A 102 4.828 13.711 3.078 1.00 0.00 C ATOM 1621 C PRO A 102 3.905 14.927 2.990 1.00 0.00 C ATOM 1622 O PRO A 102 3.019 14.972 2.100 1.00 0.00 O ATOM 1623 CB PRO A 102 5.191 13.190 1.674 1.00 0.00 C ATOM 1624 CG PRO A 102 4.947 11.721 1.729 1.00 0.00 C ATOM 1625 CD PRO A 102 3.866 11.527 2.743 1.00 0.00 C ATOM 1626 OXT PRO A 102 4.064 15.858 3.803 1.00 0.00 O ATOM 0 HA PRO A 102 5.693 14.058 3.643 1.00 0.00 H new ATOM 0 HB2 PRO A 102 4.577 13.663 0.907 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.231 13.408 1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 102 4.643 11.338 0.755 1.00 0.00 H new ATOM 0 HG3 PRO A 102 5.852 11.184 2.014 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.873 11.658 2.312 1.00 0.00 H new ATOM 0 HD3 PRO A 102 3.893 10.530 3.184 1.00 0.00 H new