USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 857 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 98 TYR OH : rot -15:sc= -0.0944 USER MOD Set 1.2: A 101 HIS : no HD1:sc= 0 X(o=-0.094,f=-0.094) USER MOD Single : A 1 MET CE :methyl 151:sc= -0.253 (180deg=-0.921) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -81:sc= 0.291 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 150:sc= -1.28 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 0.00129 X(o=0.0013,f=-0.023) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0335 USER MOD Single : A 17 SER OG : rot 180:sc= 0.00385 USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= -0.0219 (180deg=-0.169) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 21 THR OG1 : rot -43:sc= -0.719 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 28 THR OG1 : rot 73:sc= -0.97! USER MOD Single : A 29 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 30 THR OG1 : rot 70:sc= 0.505 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 78:sc= 1.19 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.218 USER MOD Single : A 43 SER OG : rot 156:sc= -2.85! USER MOD Single : A 45 GLN : amide:sc= -1 K(o=-1,f=-0.0013) USER MOD Single : A 49 THR OG1 : rot -71:sc= 1.19 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 177:sc= -2.13 (180deg=-2.23) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0553) USER MOD Single : A 66 THR OG1 : rot -140:sc= -1.15 USER MOD Single : A 68 SER OG : rot 72:sc= 0.53 USER MOD Single : A 76 SER OG : rot 73:sc= 0.317 USER MOD Single : A 82 THR OG1 : rot 78:sc= 1.92 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.956 K(o=-0.96,f=-11!) USER MOD Single : A 102 HIS : no HD1:sc= 0.968 K(o=0.97,f=-5.4!) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 104 HIS : no HD1:sc=-0.00932 X(o=-0.0093,f=0) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 106 HIS : no HD1:sc= -0.0476 X(o=-0.048,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.140 3.294 5.224 1.00 0.00 N ATOM 2 CA MET A 1 -14.334 3.227 3.985 1.00 0.00 C ATOM 3 C MET A 1 -13.355 2.064 4.061 1.00 0.00 C ATOM 4 O MET A 1 -12.614 1.934 5.038 1.00 0.00 O ATOM 5 CB MET A 1 -13.565 4.536 3.779 1.00 0.00 C ATOM 6 CG MET A 1 -12.820 4.603 2.456 1.00 0.00 C ATOM 7 SD MET A 1 -13.933 4.613 1.039 1.00 0.00 S ATOM 8 CE MET A 1 -14.877 6.104 1.352 1.00 0.00 C ATOM 0 H1 MET A 1 -15.805 4.091 5.163 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.671 2.408 5.341 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.511 3.431 6.041 1.00 0.00 H new ATOM 0 HA MET A 1 -15.007 3.075 3.141 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.264 5.371 3.835 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.852 4.661 4.594 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.202 5.501 2.435 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.146 3.750 2.379 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.209 6.530 0.405 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.745 5.863 1.966 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.252 6.827 1.876 1.00 0.00 H new ATOM 20 N THR A 2 -13.346 1.224 3.035 1.00 0.00 N ATOM 21 CA THR A 2 -12.451 0.081 3.014 1.00 0.00 C ATOM 22 C THR A 2 -11.120 0.459 2.381 1.00 0.00 C ATOM 23 O THR A 2 -10.998 1.526 1.769 1.00 0.00 O ATOM 24 CB THR A 2 -13.061 -1.107 2.248 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.378 -0.714 0.909 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.314 -1.619 2.943 1.00 0.00 C ATOM 0 H THR A 2 -13.944 1.313 2.214 1.00 0.00 H new ATOM 0 HA THR A 2 -12.292 -0.223 4.049 1.00 0.00 H new ATOM 0 HB THR A 2 -12.326 -1.911 2.227 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.239 -0.245 0.901 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.725 -2.458 2.381 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.063 -1.946 3.952 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.054 -0.820 2.995 1.00 0.00 H new ATOM 34 N PHE A 3 -10.132 -0.414 2.522 1.00 0.00 N ATOM 35 CA PHE A 3 -8.808 -0.160 1.978 1.00 0.00 C ATOM 36 C PHE A 3 -8.866 -0.106 0.455 1.00 0.00 C ATOM 37 O PHE A 3 -8.262 0.769 -0.166 1.00 0.00 O ATOM 38 CB PHE A 3 -7.826 -1.242 2.436 1.00 0.00 C ATOM 39 CG PHE A 3 -6.402 -0.985 2.027 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.631 -0.056 2.705 1.00 0.00 C ATOM 41 CD2 PHE A 3 -5.836 -1.675 0.967 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.320 0.182 2.334 1.00 0.00 C ATOM 43 CE2 PHE A 3 -4.526 -1.441 0.591 1.00 0.00 C ATOM 44 CZ PHE A 3 -3.767 -0.513 1.274 1.00 0.00 C ATOM 0 H PHE A 3 -10.224 -1.305 3.009 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.458 0.803 2.349 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.872 -1.325 3.522 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.143 -2.202 2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -6.058 0.489 3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.424 -2.403 0.429 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -3.729 0.909 2.871 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.097 -1.985 -0.238 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.744 -0.330 0.982 1.00 0.00 H new ATOM 54 N SER A 4 -9.613 -1.034 -0.138 1.00 0.00 N ATOM 55 CA SER A 4 -9.756 -1.092 -1.588 1.00 0.00 C ATOM 56 C SER A 4 -10.420 0.173 -2.127 1.00 0.00 C ATOM 57 O SER A 4 -9.951 0.761 -3.103 1.00 0.00 O ATOM 58 CB SER A 4 -10.565 -2.325 -1.988 1.00 0.00 C ATOM 59 OG SER A 4 -9.938 -3.508 -1.522 1.00 0.00 O ATOM 0 H SER A 4 -10.129 -1.756 0.365 1.00 0.00 H new ATOM 0 HA SER A 4 -8.760 -1.162 -2.025 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.572 -2.255 -1.577 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.666 -2.364 -3.073 1.00 0.00 H new ATOM 0 HG SER A 4 -10.471 -4.287 -1.786 1.00 0.00 H new ATOM 65 N GLU A 5 -11.502 0.594 -1.476 1.00 0.00 N ATOM 66 CA GLU A 5 -12.228 1.790 -1.878 1.00 0.00 C ATOM 67 C GLU A 5 -11.352 3.028 -1.761 1.00 0.00 C ATOM 68 O GLU A 5 -11.269 3.828 -2.691 1.00 0.00 O ATOM 69 CB GLU A 5 -13.473 1.954 -1.016 1.00 0.00 C ATOM 70 CG GLU A 5 -14.560 0.945 -1.320 1.00 0.00 C ATOM 71 CD GLU A 5 -15.748 1.103 -0.402 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.582 0.909 0.822 1.00 0.00 O ATOM 73 OE2 GLU A 5 -16.848 1.435 -0.895 1.00 0.00 O ATOM 0 H GLU A 5 -11.895 0.119 -0.663 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.520 1.676 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.192 1.867 0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.872 2.959 -1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.883 1.060 -2.355 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.157 -0.063 -1.222 1.00 0.00 H new ATOM 80 N CYS A 6 -10.688 3.166 -0.624 1.00 0.00 N ATOM 81 CA CYS A 6 -9.848 4.327 -0.362 1.00 0.00 C ATOM 82 C CYS A 6 -8.709 4.402 -1.368 1.00 0.00 C ATOM 83 O CYS A 6 -8.395 5.472 -1.893 1.00 0.00 O ATOM 84 CB CYS A 6 -9.280 4.257 1.050 1.00 0.00 C ATOM 85 SG CYS A 6 -8.634 5.830 1.662 1.00 0.00 S ATOM 0 H CYS A 6 -10.714 2.486 0.136 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.462 5.222 -0.459 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.060 3.908 1.727 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.482 3.515 1.073 1.00 0.00 H new ATOM 0 HG CYS A 6 -8.768 5.881 2.954 1.00 0.00 H new ATOM 91 N ALA A 7 -8.092 3.256 -1.625 1.00 0.00 N ATOM 92 CA ALA A 7 -7.028 3.161 -2.619 1.00 0.00 C ATOM 93 C ALA A 7 -7.531 3.597 -3.991 1.00 0.00 C ATOM 94 O ALA A 7 -6.877 4.380 -4.681 1.00 0.00 O ATOM 95 CB ALA A 7 -6.473 1.746 -2.679 1.00 0.00 C ATOM 0 H ALA A 7 -8.310 2.376 -1.158 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.223 3.833 -2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.681 1.697 -3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.070 1.472 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.270 1.054 -2.950 1.00 0.00 H new ATOM 101 N ALA A 8 -8.708 3.104 -4.369 1.00 0.00 N ATOM 102 CA ALA A 8 -9.316 3.458 -5.648 1.00 0.00 C ATOM 103 C ALA A 8 -9.574 4.961 -5.735 1.00 0.00 C ATOM 104 O ALA A 8 -9.390 5.572 -6.789 1.00 0.00 O ATOM 105 CB ALA A 8 -10.609 2.681 -5.857 1.00 0.00 C ATOM 0 H ALA A 8 -9.260 2.457 -3.806 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.617 3.189 -6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.049 2.957 -6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.396 1.612 -5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.309 2.917 -5.055 1.00 0.00 H new ATOM 111 N LEU A 9 -9.999 5.550 -4.621 1.00 0.00 N ATOM 112 CA LEU A 9 -10.237 6.987 -4.556 1.00 0.00 C ATOM 113 C LEU A 9 -8.944 7.753 -4.806 1.00 0.00 C ATOM 114 O LEU A 9 -8.930 8.734 -5.545 1.00 0.00 O ATOM 115 CB LEU A 9 -10.825 7.378 -3.198 1.00 0.00 C ATOM 116 CG LEU A 9 -12.184 6.758 -2.864 1.00 0.00 C ATOM 117 CD1 LEU A 9 -12.652 7.215 -1.490 1.00 0.00 C ATOM 118 CD2 LEU A 9 -13.212 7.119 -3.926 1.00 0.00 C ATOM 0 H LEU A 9 -10.186 5.053 -3.750 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.956 7.247 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.116 7.096 -2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.922 8.463 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.074 5.674 -2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.620 6.766 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.927 6.906 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.745 8.301 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.172 6.669 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.320 8.203 -3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.881 6.744 -4.895 1.00 0.00 H new ATOM 130 N TYR A 10 -7.858 7.289 -4.196 1.00 0.00 N ATOM 131 CA TYR A 10 -6.544 7.902 -4.382 1.00 0.00 C ATOM 132 C TYR A 10 -6.144 7.869 -5.851 1.00 0.00 C ATOM 133 O TYR A 10 -5.645 8.859 -6.398 1.00 0.00 O ATOM 134 CB TYR A 10 -5.495 7.169 -3.543 1.00 0.00 C ATOM 135 CG TYR A 10 -4.112 7.781 -3.617 1.00 0.00 C ATOM 136 CD1 TYR A 10 -3.830 8.965 -2.956 1.00 0.00 C ATOM 137 CD2 TYR A 10 -3.091 7.177 -4.340 1.00 0.00 C ATOM 138 CE1 TYR A 10 -2.573 9.532 -3.005 1.00 0.00 C ATOM 139 CE2 TYR A 10 -1.828 7.738 -4.396 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.577 8.918 -3.727 1.00 0.00 C ATOM 141 OH TYR A 10 -0.325 9.485 -3.775 1.00 0.00 O ATOM 0 H TYR A 10 -7.861 6.487 -3.566 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.600 8.941 -4.056 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.821 7.156 -2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.441 6.132 -3.873 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.610 9.454 -2.391 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.287 6.255 -4.867 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.373 10.454 -2.479 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.043 7.255 -4.960 1.00 0.00 H new ATOM 0 HH TYR A 10 0.265 8.929 -4.325 1.00 0.00 H new ATOM 151 N ILE A 11 -6.372 6.724 -6.473 1.00 0.00 N ATOM 152 CA ILE A 11 -6.051 6.516 -7.878 1.00 0.00 C ATOM 153 C ILE A 11 -6.880 7.434 -8.779 1.00 0.00 C ATOM 154 O ILE A 11 -6.348 8.073 -9.681 1.00 0.00 O ATOM 155 CB ILE A 11 -6.280 5.038 -8.270 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.358 4.137 -7.444 1.00 0.00 C ATOM 157 CG2 ILE A 11 -6.045 4.826 -9.762 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.662 2.662 -7.572 1.00 0.00 C ATOM 0 H ILE A 11 -6.786 5.910 -6.018 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.999 6.762 -8.020 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.317 4.776 -8.058 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.327 4.313 -7.750 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.433 4.423 -6.395 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.213 3.778 -10.011 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.735 5.449 -10.331 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.019 5.099 -10.011 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.965 2.092 -6.957 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.682 2.470 -7.238 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.558 2.358 -8.614 1.00 0.00 H new ATOM 170 N LYS A 12 -8.179 7.509 -8.517 1.00 0.00 N ATOM 171 CA LYS A 12 -9.074 8.347 -9.311 1.00 0.00 C ATOM 172 C LYS A 12 -8.827 9.826 -9.044 1.00 0.00 C ATOM 173 O LYS A 12 -8.960 10.651 -9.941 1.00 0.00 O ATOM 174 CB LYS A 12 -10.535 7.987 -9.034 1.00 0.00 C ATOM 175 CG LYS A 12 -10.895 6.575 -9.468 1.00 0.00 C ATOM 176 CD LYS A 12 -12.362 6.264 -9.233 1.00 0.00 C ATOM 177 CE LYS A 12 -12.716 4.881 -9.752 1.00 0.00 C ATOM 178 NZ LYS A 12 -14.165 4.578 -9.612 1.00 0.00 N ATOM 0 H LYS A 12 -8.638 7.000 -7.761 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.863 8.157 -10.364 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.733 8.094 -7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.182 8.696 -9.551 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.663 6.451 -10.526 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.281 5.860 -8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.584 6.324 -8.168 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.980 7.012 -9.730 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.431 4.806 -10.801 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.137 4.133 -9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.357 3.624 -9.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.434 4.623 -8.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.719 5.275 -10.150 1.00 0.00 H new ATOM 192 N ALA A 13 -8.467 10.165 -7.816 1.00 0.00 N ATOM 193 CA ALA A 13 -8.121 11.540 -7.488 1.00 0.00 C ATOM 194 C ALA A 13 -6.863 11.967 -8.238 1.00 0.00 C ATOM 195 O ALA A 13 -6.718 13.128 -8.619 1.00 0.00 O ATOM 196 CB ALA A 13 -7.925 11.705 -5.990 1.00 0.00 C ATOM 0 H ALA A 13 -8.407 9.512 -7.034 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.946 12.181 -7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.667 12.741 -5.769 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.847 11.442 -5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.120 11.051 -5.654 1.00 0.00 H new ATOM 202 N HIS A 14 -5.968 11.012 -8.471 1.00 0.00 N ATOM 203 CA HIS A 14 -4.697 11.290 -9.133 1.00 0.00 C ATOM 204 C HIS A 14 -4.683 10.783 -10.570 1.00 0.00 C ATOM 205 O HIS A 14 -3.625 10.707 -11.191 1.00 0.00 O ATOM 206 CB HIS A 14 -3.537 10.664 -8.353 1.00 0.00 C ATOM 207 CG HIS A 14 -3.098 11.476 -7.178 1.00 0.00 C ATOM 208 ND1 HIS A 14 -3.727 11.440 -5.953 1.00 0.00 N ATOM 209 CD2 HIS A 14 -2.080 12.358 -7.053 1.00 0.00 C ATOM 210 CE1 HIS A 14 -3.115 12.272 -5.125 1.00 0.00 C ATOM 211 NE2 HIS A 14 -2.113 12.838 -5.770 1.00 0.00 N ATOM 0 H HIS A 14 -6.100 10.035 -8.210 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.576 12.373 -9.156 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.835 9.674 -8.009 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.690 10.527 -9.026 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.536 10.864 -5.721 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.373 12.633 -7.822 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.389 12.456 -4.097 1.00 0.00 H new ATOM 220 N ARG A 15 -5.854 10.460 -11.107 1.00 0.00 N ATOM 221 CA ARG A 15 -5.941 9.964 -12.478 1.00 0.00 C ATOM 222 C ARG A 15 -5.508 11.050 -13.458 1.00 0.00 C ATOM 223 O ARG A 15 -4.925 10.762 -14.499 1.00 0.00 O ATOM 224 CB ARG A 15 -7.364 9.495 -12.812 1.00 0.00 C ATOM 225 CG ARG A 15 -8.394 10.611 -12.787 1.00 0.00 C ATOM 226 CD ARG A 15 -9.763 10.133 -13.234 1.00 0.00 C ATOM 227 NE ARG A 15 -10.762 11.197 -13.137 1.00 0.00 N ATOM 228 CZ ARG A 15 -11.733 11.399 -14.023 1.00 0.00 C ATOM 229 NH1 ARG A 15 -11.841 10.623 -15.097 1.00 0.00 N ATOM 230 NH2 ARG A 15 -12.591 12.392 -13.843 1.00 0.00 N ATOM 0 H ARG A 15 -6.748 10.531 -10.621 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.272 9.108 -12.568 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.363 9.035 -13.800 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.659 8.723 -12.101 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.464 11.017 -11.778 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.064 11.423 -13.435 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.707 9.778 -14.263 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.072 9.286 -12.621 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.710 11.826 -12.336 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.176 9.865 -15.247 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.589 10.786 -15.771 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.505 12.998 -13.027 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.337 12.550 -14.520 1.00 0.00 H new ATOM 244 N SER A 16 -5.790 12.297 -13.104 1.00 0.00 N ATOM 245 CA SER A 16 -5.409 13.436 -13.910 1.00 0.00 C ATOM 246 C SER A 16 -3.891 13.596 -13.911 1.00 0.00 C ATOM 247 O SER A 16 -3.294 14.006 -14.906 1.00 0.00 O ATOM 248 CB SER A 16 -6.069 14.677 -13.329 1.00 0.00 C ATOM 249 OG SER A 16 -7.376 14.375 -12.869 1.00 0.00 O ATOM 0 H SER A 16 -6.290 12.541 -12.249 1.00 0.00 H new ATOM 0 HA SER A 16 -5.735 13.290 -14.940 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.468 15.064 -12.506 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.115 15.460 -14.086 1.00 0.00 H new ATOM 0 HG SER A 16 -7.787 15.183 -12.497 1.00 0.00 H new ATOM 255 N SER A 17 -3.281 13.262 -12.779 1.00 0.00 N ATOM 256 CA SER A 17 -1.840 13.335 -12.625 1.00 0.00 C ATOM 257 C SER A 17 -1.168 12.204 -13.399 1.00 0.00 C ATOM 258 O SER A 17 -0.090 12.375 -13.965 1.00 0.00 O ATOM 259 CB SER A 17 -1.488 13.235 -11.141 1.00 0.00 C ATOM 260 OG SER A 17 -2.402 13.986 -10.353 1.00 0.00 O ATOM 0 H SER A 17 -3.773 12.935 -11.948 1.00 0.00 H new ATOM 0 HA SER A 17 -1.482 14.285 -13.022 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.504 12.191 -10.828 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.474 13.601 -10.978 1.00 0.00 H new ATOM 0 HG SER A 17 -2.160 13.907 -9.407 1.00 0.00 H new ATOM 266 N TRP A 18 -1.828 11.054 -13.428 1.00 0.00 N ATOM 267 CA TRP A 18 -1.303 9.874 -14.101 1.00 0.00 C ATOM 268 C TRP A 18 -1.912 9.723 -15.492 1.00 0.00 C ATOM 269 O TRP A 18 -2.067 8.607 -15.990 1.00 0.00 O ATOM 270 CB TRP A 18 -1.605 8.619 -13.282 1.00 0.00 C ATOM 271 CG TRP A 18 -1.027 8.628 -11.895 1.00 0.00 C ATOM 272 CD1 TRP A 18 0.083 9.294 -11.460 1.00 0.00 C ATOM 273 CD2 TRP A 18 -1.531 7.911 -10.765 1.00 0.00 C ATOM 274 NE1 TRP A 18 0.290 9.040 -10.125 1.00 0.00 N ATOM 275 CE2 TRP A 18 -0.686 8.192 -9.677 1.00 0.00 C ATOM 276 CE3 TRP A 18 -2.619 7.061 -10.570 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -0.893 7.649 -8.412 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -2.824 6.521 -9.315 1.00 0.00 C ATOM 279 CH2 TRP A 18 -1.966 6.816 -8.252 1.00 0.00 C ATOM 0 H TRP A 18 -2.737 10.913 -12.988 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.224 9.998 -14.198 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.686 8.498 -13.211 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.221 7.750 -13.817 1.00 0.00 H new ATOM 0 HD1 TRP A 18 0.706 9.927 -12.074 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.048 9.422 -9.560 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.289 6.829 -11.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.232 7.877 -7.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.662 5.859 -9.153 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.154 6.377 -7.283 1.00 0.00 H new ATOM 290 N LYS A 19 -2.215 10.839 -16.134 1.00 0.00 N ATOM 291 CA LYS A 19 -2.842 10.816 -17.437 1.00 0.00 C ATOM 292 C LYS A 19 -1.887 11.387 -18.440 1.00 0.00 C ATOM 293 O LYS A 19 -1.516 12.560 -18.384 1.00 0.00 O ATOM 294 CB LYS A 19 -4.177 11.572 -17.433 1.00 0.00 C ATOM 295 CG LYS A 19 -4.946 11.469 -18.743 1.00 0.00 C ATOM 296 CD LYS A 19 -6.378 11.956 -18.590 1.00 0.00 C ATOM 297 CE LYS A 19 -7.135 11.926 -19.912 1.00 0.00 C ATOM 298 NZ LYS A 19 -7.128 10.576 -20.544 1.00 0.00 N ATOM 0 H LYS A 19 -2.034 11.774 -15.769 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.075 9.786 -17.708 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.800 11.186 -16.626 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.988 12.623 -17.215 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.441 12.057 -19.509 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.947 10.434 -19.085 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.897 11.334 -17.861 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.375 12.973 -18.197 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.165 12.239 -19.744 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.690 12.647 -20.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.778 10.569 -21.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.166 10.350 -20.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.435 9.866 -19.849 1.00 0.00 H new ATOM 312 N ASN A 20 -1.465 10.538 -19.342 1.00 0.00 N ATOM 313 CA ASN A 20 -2.013 9.196 -19.453 1.00 0.00 C ATOM 314 C ASN A 20 -0.914 8.155 -19.332 1.00 0.00 C ATOM 315 O ASN A 20 -0.119 7.946 -20.249 1.00 0.00 O ATOM 316 CB ASN A 20 -2.763 9.010 -20.772 1.00 0.00 C ATOM 317 CG ASN A 20 -3.443 7.656 -20.858 1.00 0.00 C ATOM 318 OD1 ASN A 20 -3.853 7.091 -19.848 1.00 0.00 O ATOM 319 ND2 ASN A 20 -3.578 7.130 -22.065 1.00 0.00 N ATOM 0 H ASN A 20 -0.734 10.749 -20.022 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.720 9.062 -18.634 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.510 9.797 -20.878 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.066 9.118 -21.603 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.036 6.226 -22.179 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.225 7.629 -22.881 1.00 0.00 H new ATOM 326 N THR A 21 -0.866 7.539 -18.173 1.00 0.00 N ATOM 327 CA THR A 21 0.057 6.452 -17.906 1.00 0.00 C ATOM 328 C THR A 21 -0.715 5.204 -17.490 1.00 0.00 C ATOM 329 O THR A 21 -1.815 5.303 -16.945 1.00 0.00 O ATOM 330 CB THR A 21 1.046 6.823 -16.775 1.00 0.00 C ATOM 331 OG1 THR A 21 0.325 7.133 -15.574 1.00 0.00 O ATOM 332 CG2 THR A 21 1.907 8.014 -17.155 1.00 0.00 C ATOM 0 H THR A 21 -1.467 7.776 -17.384 1.00 0.00 H new ATOM 0 HA THR A 21 0.619 6.261 -18.821 1.00 0.00 H new ATOM 0 HB THR A 21 1.695 5.963 -16.612 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.448 7.695 -15.792 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.589 8.246 -16.337 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.482 7.777 -18.050 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.269 8.876 -17.351 1.00 0.00 H new ATOM 340 N LYS A 22 -0.140 4.028 -17.727 1.00 0.00 N ATOM 341 CA LYS A 22 -0.743 2.788 -17.247 1.00 0.00 C ATOM 342 C LYS A 22 -0.331 2.561 -15.798 1.00 0.00 C ATOM 343 O LYS A 22 -0.688 1.566 -15.167 1.00 0.00 O ATOM 344 CB LYS A 22 -0.337 1.602 -18.125 1.00 0.00 C ATOM 345 CG LYS A 22 -0.851 1.714 -19.554 1.00 0.00 C ATOM 346 CD LYS A 22 -0.706 0.411 -20.325 1.00 0.00 C ATOM 347 CE LYS A 22 0.746 -0.005 -20.474 1.00 0.00 C ATOM 348 NZ LYS A 22 0.878 -1.240 -21.286 1.00 0.00 N ATOM 0 H LYS A 22 0.732 3.908 -18.242 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.828 2.873 -17.303 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.750 1.525 -18.141 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.715 0.682 -17.680 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.900 2.009 -19.538 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.306 2.503 -20.073 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.258 -0.377 -19.812 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.154 0.523 -21.312 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.310 0.801 -20.942 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.182 -0.168 -19.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.883 -1.496 -21.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.360 -2.015 -20.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.484 -1.076 -22.234 1.00 0.00 H new ATOM 362 N HIS A 23 0.418 3.531 -15.295 1.00 0.00 N ATOM 363 CA HIS A 23 0.859 3.593 -13.908 1.00 0.00 C ATOM 364 C HIS A 23 -0.336 3.509 -12.952 1.00 0.00 C ATOM 365 O HIS A 23 -0.234 2.935 -11.875 1.00 0.00 O ATOM 366 CB HIS A 23 1.630 4.911 -13.731 1.00 0.00 C ATOM 367 CG HIS A 23 2.163 5.202 -12.359 1.00 0.00 C ATOM 368 ND1 HIS A 23 3.426 4.840 -11.956 1.00 0.00 N ATOM 369 CD2 HIS A 23 1.624 5.887 -11.325 1.00 0.00 C ATOM 370 CE1 HIS A 23 3.644 5.294 -10.739 1.00 0.00 C ATOM 371 NE2 HIS A 23 2.566 5.936 -10.328 1.00 0.00 N ATOM 0 H HIS A 23 0.745 4.318 -15.855 1.00 0.00 H new ATOM 0 HA HIS A 23 1.505 2.748 -13.671 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.468 4.911 -14.428 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.973 5.731 -14.022 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.634 6.317 -11.290 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.553 5.163 -10.172 1.00 0.00 H new ATOM 0 HE2 HIS A 23 2.452 6.391 -9.422 1.00 0.00 H new ATOM 380 N ALA A 24 -1.467 4.074 -13.364 1.00 0.00 N ATOM 381 CA ALA A 24 -2.694 4.026 -12.567 1.00 0.00 C ATOM 382 C ALA A 24 -3.261 2.605 -12.512 1.00 0.00 C ATOM 383 O ALA A 24 -3.613 2.100 -11.443 1.00 0.00 O ATOM 384 CB ALA A 24 -3.728 4.982 -13.147 1.00 0.00 C ATOM 0 H ALA A 24 -1.562 4.573 -14.249 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.452 4.332 -11.549 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.638 4.940 -12.548 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.332 5.997 -13.135 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.955 4.693 -14.173 1.00 0.00 H new ATOM 390 N ASP A 25 -3.333 1.963 -13.672 1.00 0.00 N ATOM 391 CA ASP A 25 -3.887 0.614 -13.782 1.00 0.00 C ATOM 392 C ASP A 25 -3.014 -0.391 -13.038 1.00 0.00 C ATOM 393 O ASP A 25 -3.512 -1.223 -12.277 1.00 0.00 O ATOM 394 CB ASP A 25 -4.011 0.216 -15.254 1.00 0.00 C ATOM 395 CG ASP A 25 -4.659 -1.143 -15.438 1.00 0.00 C ATOM 396 OD1 ASP A 25 -5.893 -1.243 -15.278 1.00 0.00 O ATOM 397 OD2 ASP A 25 -3.941 -2.111 -15.761 1.00 0.00 O ATOM 0 H ASP A 25 -3.013 2.356 -14.557 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.878 0.610 -13.328 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.597 0.968 -15.782 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.020 0.207 -15.709 1.00 0.00 H new ATOM 402 N GLN A 26 -1.712 -0.289 -13.257 1.00 0.00 N ATOM 403 CA GLN A 26 -0.735 -1.134 -12.586 1.00 0.00 C ATOM 404 C GLN A 26 -0.817 -0.982 -11.068 1.00 0.00 C ATOM 405 O GLN A 26 -0.700 -1.963 -10.331 1.00 0.00 O ATOM 406 CB GLN A 26 0.661 -0.772 -13.092 1.00 0.00 C ATOM 407 CG GLN A 26 0.941 -1.292 -14.491 1.00 0.00 C ATOM 408 CD GLN A 26 2.238 -0.764 -15.075 1.00 0.00 C ATOM 409 OE1 GLN A 26 3.183 -0.440 -14.354 1.00 0.00 O ATOM 410 NE2 GLN A 26 2.297 -0.700 -16.395 1.00 0.00 N ATOM 0 H GLN A 26 -1.302 0.383 -13.906 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.950 -2.178 -12.815 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.774 0.312 -13.084 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.406 -1.175 -12.405 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.978 -2.381 -14.467 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.115 -1.015 -15.147 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.491 -0.978 -16.956 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.148 -0.373 -16.852 1.00 0.00 H new ATOM 419 N TRP A 27 -1.023 0.246 -10.606 1.00 0.00 N ATOM 420 CA TRP A 27 -1.212 0.502 -9.184 1.00 0.00 C ATOM 421 C TRP A 27 -2.435 -0.242 -8.663 1.00 0.00 C ATOM 422 O TRP A 27 -2.358 -0.948 -7.655 1.00 0.00 O ATOM 423 CB TRP A 27 -1.357 2.001 -8.924 1.00 0.00 C ATOM 424 CG TRP A 27 -0.080 2.656 -8.490 1.00 0.00 C ATOM 425 CD1 TRP A 27 1.121 2.641 -9.140 1.00 0.00 C ATOM 426 CD2 TRP A 27 0.116 3.432 -7.304 1.00 0.00 C ATOM 427 NE1 TRP A 27 2.053 3.350 -8.421 1.00 0.00 N ATOM 428 CE2 TRP A 27 1.458 3.853 -7.295 1.00 0.00 C ATOM 429 CE3 TRP A 27 -0.716 3.813 -6.250 1.00 0.00 C ATOM 430 CZ2 TRP A 27 1.986 4.634 -6.271 1.00 0.00 C ATOM 431 CZ3 TRP A 27 -0.191 4.589 -5.234 1.00 0.00 C ATOM 432 CH2 TRP A 27 1.149 4.993 -5.252 1.00 0.00 C ATOM 0 H TRP A 27 -1.063 1.078 -11.194 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.332 0.139 -8.653 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -1.716 2.487 -9.832 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.116 2.158 -8.157 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.310 2.145 -10.080 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.030 3.480 -8.684 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.751 3.507 -6.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.020 4.945 -6.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.825 4.889 -4.413 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.529 5.601 -4.444 1.00 0.00 H new ATOM 443 N THR A 28 -3.542 -0.099 -9.376 1.00 0.00 N ATOM 444 CA THR A 28 -4.805 -0.719 -8.991 1.00 0.00 C ATOM 445 C THR A 28 -4.689 -2.244 -8.932 1.00 0.00 C ATOM 446 O THR A 28 -5.066 -2.872 -7.939 1.00 0.00 O ATOM 447 CB THR A 28 -5.921 -0.344 -9.991 1.00 0.00 C ATOM 448 OG1 THR A 28 -5.908 1.070 -10.235 1.00 0.00 O ATOM 449 CG2 THR A 28 -7.289 -0.752 -9.465 1.00 0.00 C ATOM 0 H THR A 28 -3.592 0.448 -10.235 1.00 0.00 H new ATOM 0 HA THR A 28 -5.054 -0.345 -7.998 1.00 0.00 H new ATOM 0 HB THR A 28 -5.732 -0.880 -10.921 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.138 1.298 -10.797 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.055 -0.476 -10.190 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.311 -1.830 -9.307 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.482 -0.243 -8.521 1.00 0.00 H new ATOM 457 N ASN A 29 -4.137 -2.820 -9.995 1.00 0.00 N ATOM 458 CA ASN A 29 -4.061 -4.265 -10.162 1.00 0.00 C ATOM 459 C ASN A 29 -3.283 -4.942 -9.038 1.00 0.00 C ATOM 460 O ASN A 29 -3.754 -5.922 -8.453 1.00 0.00 O ATOM 461 CB ASN A 29 -3.419 -4.583 -11.513 1.00 0.00 C ATOM 462 CG ASN A 29 -4.432 -4.671 -12.636 1.00 0.00 C ATOM 463 OD1 ASN A 29 -4.986 -5.734 -12.913 1.00 0.00 O ATOM 464 ND2 ASN A 29 -4.670 -3.558 -13.301 1.00 0.00 N ATOM 0 H ASN A 29 -3.728 -2.294 -10.768 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.077 -4.659 -10.125 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.684 -3.814 -11.751 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.880 -5.527 -11.441 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.334 -3.559 -14.076 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.191 -2.696 -13.041 1.00 0.00 H new ATOM 471 N THR A 30 -2.103 -4.419 -8.732 1.00 0.00 N ATOM 472 CA THR A 30 -1.241 -5.024 -7.726 1.00 0.00 C ATOM 473 C THR A 30 -1.899 -5.005 -6.347 1.00 0.00 C ATOM 474 O THR A 30 -1.885 -6.008 -5.626 1.00 0.00 O ATOM 475 CB THR A 30 0.112 -4.294 -7.661 1.00 0.00 C ATOM 476 OG1 THR A 30 0.640 -4.139 -8.984 1.00 0.00 O ATOM 477 CG2 THR A 30 1.112 -5.054 -6.802 1.00 0.00 C ATOM 0 H THR A 30 -1.721 -3.578 -9.165 1.00 0.00 H new ATOM 0 HA THR A 30 -1.076 -6.061 -8.018 1.00 0.00 H new ATOM 0 HB THR A 30 -0.053 -3.316 -7.208 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.098 -3.490 -9.479 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.057 -4.511 -6.777 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.722 -5.150 -5.789 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.274 -6.046 -7.224 1.00 0.00 H new ATOM 485 N ILE A 31 -2.496 -3.872 -5.996 1.00 0.00 N ATOM 486 CA ILE A 31 -3.127 -3.715 -4.692 1.00 0.00 C ATOM 487 C ILE A 31 -4.326 -4.649 -4.555 1.00 0.00 C ATOM 488 O ILE A 31 -4.493 -5.312 -3.530 1.00 0.00 O ATOM 489 CB ILE A 31 -3.575 -2.255 -4.449 1.00 0.00 C ATOM 490 CG1 ILE A 31 -2.367 -1.313 -4.489 1.00 0.00 C ATOM 491 CG2 ILE A 31 -4.301 -2.131 -3.114 1.00 0.00 C ATOM 492 CD1 ILE A 31 -2.724 0.154 -4.344 1.00 0.00 C ATOM 0 H ILE A 31 -2.556 -3.049 -6.596 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.382 -3.975 -3.940 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.265 -1.970 -5.243 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.677 -1.589 -3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.838 -1.456 -5.431 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.608 -1.096 -2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.181 -2.774 -3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.633 -2.434 -2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.815 0.755 -4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.389 0.449 -5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.225 0.314 -3.389 1.00 0.00 H new ATOM 504 N LYS A 32 -5.136 -4.723 -5.605 1.00 0.00 N ATOM 505 CA LYS A 32 -6.343 -5.541 -5.584 1.00 0.00 C ATOM 506 C LYS A 32 -5.993 -7.019 -5.439 1.00 0.00 C ATOM 507 O LYS A 32 -6.744 -7.792 -4.846 1.00 0.00 O ATOM 508 CB LYS A 32 -7.153 -5.334 -6.865 1.00 0.00 C ATOM 509 CG LYS A 32 -8.569 -5.886 -6.778 1.00 0.00 C ATOM 510 CD LYS A 32 -9.323 -5.737 -8.090 1.00 0.00 C ATOM 511 CE LYS A 32 -10.716 -6.343 -7.997 1.00 0.00 C ATOM 512 NZ LYS A 32 -11.422 -6.326 -9.305 1.00 0.00 N ATOM 0 H LYS A 32 -4.979 -4.226 -6.482 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.941 -5.232 -4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.199 -4.268 -7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.634 -5.812 -7.696 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.530 -6.939 -6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.112 -5.368 -5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.400 -4.681 -8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.765 -6.223 -8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.641 -7.370 -7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.302 -5.792 -7.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.366 -6.748 -9.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.518 -5.344 -9.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.877 -6.874 -10.001 1.00 0.00 H new ATOM 526 N THR A 33 -4.842 -7.401 -5.972 1.00 0.00 N ATOM 527 CA THR A 33 -4.440 -8.799 -5.976 1.00 0.00 C ATOM 528 C THR A 33 -3.853 -9.229 -4.627 1.00 0.00 C ATOM 529 O THR A 33 -4.307 -10.205 -4.027 1.00 0.00 O ATOM 530 CB THR A 33 -3.405 -9.062 -7.091 1.00 0.00 C ATOM 531 OG1 THR A 33 -3.952 -8.687 -8.365 1.00 0.00 O ATOM 532 CG2 THR A 33 -2.990 -10.528 -7.127 1.00 0.00 C ATOM 0 H THR A 33 -4.173 -6.765 -6.406 1.00 0.00 H new ATOM 0 HA THR A 33 -5.338 -9.388 -6.162 1.00 0.00 H new ATOM 0 HB THR A 33 -2.522 -8.460 -6.877 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.915 -7.713 -8.463 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.261 -10.680 -7.923 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.546 -10.804 -6.170 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.866 -11.150 -7.314 1.00 0.00 H new ATOM 540 N TYR A 34 -2.853 -8.498 -4.150 1.00 0.00 N ATOM 541 CA TYR A 34 -2.163 -8.877 -2.920 1.00 0.00 C ATOM 542 C TYR A 34 -2.933 -8.457 -1.671 1.00 0.00 C ATOM 543 O TYR A 34 -3.168 -9.267 -0.774 1.00 0.00 O ATOM 544 CB TYR A 34 -0.750 -8.293 -2.887 1.00 0.00 C ATOM 545 CG TYR A 34 0.170 -8.880 -3.932 1.00 0.00 C ATOM 546 CD1 TYR A 34 0.597 -10.200 -3.843 1.00 0.00 C ATOM 547 CD2 TYR A 34 0.606 -8.123 -5.008 1.00 0.00 C ATOM 548 CE1 TYR A 34 1.437 -10.744 -4.795 1.00 0.00 C ATOM 549 CE2 TYR A 34 1.445 -8.659 -5.965 1.00 0.00 C ATOM 550 CZ TYR A 34 1.855 -9.970 -5.855 1.00 0.00 C ATOM 551 OH TYR A 34 2.690 -10.508 -6.807 1.00 0.00 O ATOM 0 H TYR A 34 -2.503 -7.647 -4.590 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.100 -9.965 -2.917 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.808 -7.214 -3.030 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.319 -8.461 -1.900 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.266 -10.810 -3.016 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.284 -7.096 -5.100 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.764 -11.770 -4.709 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.778 -8.054 -6.795 1.00 0.00 H new ATOM 0 HH TYR A 34 2.890 -9.831 -7.487 1.00 0.00 H new ATOM 561 N CYS A 35 -3.339 -7.198 -1.623 1.00 0.00 N ATOM 562 CA CYS A 35 -3.944 -6.640 -0.420 1.00 0.00 C ATOM 563 C CYS A 35 -5.431 -6.976 -0.334 1.00 0.00 C ATOM 564 O CYS A 35 -5.993 -7.034 0.759 1.00 0.00 O ATOM 565 CB CYS A 35 -3.750 -5.124 -0.398 1.00 0.00 C ATOM 566 SG CYS A 35 -2.030 -4.601 -0.580 1.00 0.00 S ATOM 0 H CYS A 35 -3.262 -6.543 -2.401 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.450 -7.085 0.444 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.341 -4.681 -1.200 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.141 -4.731 0.541 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.966 -3.303 -0.552 1.00 0.00 H new ATOM 572 N GLY A 36 -6.042 -7.213 -1.493 1.00 0.00 N ATOM 573 CA GLY A 36 -7.477 -7.455 -1.578 1.00 0.00 C ATOM 574 C GLY A 36 -8.002 -8.467 -0.570 1.00 0.00 C ATOM 575 O GLY A 36 -8.764 -8.106 0.320 1.00 0.00 O ATOM 0 H GLY A 36 -5.560 -7.242 -2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.002 -6.511 -1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.716 -7.803 -2.583 1.00 0.00 H new ATOM 579 N PRO A 37 -7.602 -9.744 -0.674 1.00 0.00 N ATOM 580 CA PRO A 37 -8.132 -10.818 0.186 1.00 0.00 C ATOM 581 C PRO A 37 -7.826 -10.638 1.677 1.00 0.00 C ATOM 582 O PRO A 37 -8.558 -11.140 2.532 1.00 0.00 O ATOM 583 CB PRO A 37 -7.435 -12.077 -0.346 1.00 0.00 C ATOM 584 CG PRO A 37 -6.224 -11.575 -1.055 1.00 0.00 C ATOM 585 CD PRO A 37 -6.614 -10.256 -1.642 1.00 0.00 C ATOM 0 HA PRO A 37 -9.221 -10.845 0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.166 -12.752 0.466 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.086 -12.633 -1.021 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.386 -11.465 -0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.909 -12.271 -1.832 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.758 -9.588 -1.738 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.044 -10.368 -2.637 1.00 0.00 H new ATOM 593 N VAL A 38 -6.762 -9.911 1.993 1.00 0.00 N ATOM 594 CA VAL A 38 -6.304 -9.811 3.373 1.00 0.00 C ATOM 595 C VAL A 38 -6.853 -8.567 4.066 1.00 0.00 C ATOM 596 O VAL A 38 -7.415 -8.658 5.157 1.00 0.00 O ATOM 597 CB VAL A 38 -4.766 -9.798 3.459 1.00 0.00 C ATOM 598 CG1 VAL A 38 -4.304 -9.846 4.910 1.00 0.00 C ATOM 599 CG2 VAL A 38 -4.172 -10.956 2.673 1.00 0.00 C ATOM 0 H VAL A 38 -6.204 -9.386 1.319 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.684 -10.695 3.885 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.412 -8.866 3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.215 -9.836 4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.693 -8.979 5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.674 -10.757 5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.085 -10.927 2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.539 -11.898 3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.466 -10.874 1.627 1.00 0.00 H new ATOM 609 N ILE A 39 -6.691 -7.407 3.438 1.00 0.00 N ATOM 610 CA ILE A 39 -7.075 -6.143 4.067 1.00 0.00 C ATOM 611 C ILE A 39 -7.956 -5.294 3.161 1.00 0.00 C ATOM 612 O ILE A 39 -8.291 -4.163 3.502 1.00 0.00 O ATOM 613 CB ILE A 39 -5.838 -5.312 4.465 1.00 0.00 C ATOM 614 CG1 ILE A 39 -4.930 -5.087 3.246 1.00 0.00 C ATOM 615 CG2 ILE A 39 -5.078 -5.994 5.595 1.00 0.00 C ATOM 616 CD1 ILE A 39 -3.713 -4.234 3.529 1.00 0.00 C ATOM 0 H ILE A 39 -6.300 -7.313 2.501 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.640 -6.413 4.959 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.172 -4.338 4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.601 -6.055 2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.513 -4.617 2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.208 -5.394 5.863 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.730 -6.096 6.463 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.751 -6.981 5.269 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.126 -4.124 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.031 -3.251 3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.105 -4.712 4.297 1.00 0.00 H new ATOM 628 N GLY A 40 -8.332 -5.847 2.022 1.00 0.00 N ATOM 629 CA GLY A 40 -9.121 -5.117 1.041 1.00 0.00 C ATOM 630 C GLY A 40 -10.466 -4.637 1.570 1.00 0.00 C ATOM 631 O GLY A 40 -10.704 -3.429 1.652 1.00 0.00 O ATOM 0 H GLY A 40 -8.103 -6.803 1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.549 -4.256 0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.289 -5.757 0.175 1.00 0.00 H new ATOM 635 N PRO A 41 -11.378 -5.562 1.920 1.00 0.00 N ATOM 636 CA PRO A 41 -12.706 -5.213 2.421 1.00 0.00 C ATOM 637 C PRO A 41 -12.681 -4.750 3.879 1.00 0.00 C ATOM 638 O PRO A 41 -13.731 -4.525 4.485 1.00 0.00 O ATOM 639 CB PRO A 41 -13.509 -6.519 2.288 1.00 0.00 C ATOM 640 CG PRO A 41 -12.616 -7.476 1.564 1.00 0.00 C ATOM 641 CD PRO A 41 -11.216 -7.014 1.831 1.00 0.00 C ATOM 0 HA PRO A 41 -13.134 -4.379 1.865 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.787 -6.908 3.267 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.434 -6.354 1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.765 -8.495 1.920 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.830 -7.477 0.495 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.818 -7.436 2.754 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.534 -7.299 1.030 1.00 0.00 H new ATOM 649 N LEU A 42 -11.486 -4.623 4.441 1.00 0.00 N ATOM 650 CA LEU A 42 -11.341 -4.109 5.791 1.00 0.00 C ATOM 651 C LEU A 42 -11.275 -2.588 5.760 1.00 0.00 C ATOM 652 O LEU A 42 -10.985 -1.994 4.721 1.00 0.00 O ATOM 653 CB LEU A 42 -10.090 -4.680 6.464 1.00 0.00 C ATOM 654 CG LEU A 42 -10.062 -6.203 6.614 1.00 0.00 C ATOM 655 CD1 LEU A 42 -8.824 -6.632 7.383 1.00 0.00 C ATOM 656 CD2 LEU A 42 -11.320 -6.703 7.313 1.00 0.00 C ATOM 0 H LEU A 42 -10.608 -4.868 3.983 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.209 -4.419 6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.216 -4.372 5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.994 -4.233 7.453 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.029 -6.645 5.618 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.816 -7.717 7.483 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.932 -6.310 6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.835 -6.176 8.373 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.277 -7.788 7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.388 -6.255 8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.196 -6.425 6.728 1.00 0.00 H new ATOM 668 N SER A 43 -11.559 -1.962 6.890 1.00 0.00 N ATOM 669 CA SER A 43 -11.522 -0.512 6.983 1.00 0.00 C ATOM 670 C SER A 43 -10.104 0.000 6.777 1.00 0.00 C ATOM 671 O SER A 43 -9.141 -0.608 7.246 1.00 0.00 O ATOM 672 CB SER A 43 -12.037 -0.046 8.341 1.00 0.00 C ATOM 673 OG SER A 43 -12.220 1.357 8.361 1.00 0.00 O ATOM 0 H SER A 43 -11.818 -2.435 7.756 1.00 0.00 H new ATOM 0 HA SER A 43 -12.166 -0.109 6.201 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.981 -0.542 8.566 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.332 -0.335 9.120 1.00 0.00 H new ATOM 0 HG SER A 43 -12.881 1.591 9.046 1.00 0.00 H new ATOM 679 N VAL A 44 -9.981 1.126 6.091 1.00 0.00 N ATOM 680 CA VAL A 44 -8.684 1.741 5.856 1.00 0.00 C ATOM 681 C VAL A 44 -8.055 2.194 7.178 1.00 0.00 C ATOM 682 O VAL A 44 -6.838 2.328 7.291 1.00 0.00 O ATOM 683 CB VAL A 44 -8.804 2.934 4.877 1.00 0.00 C ATOM 684 CG1 VAL A 44 -9.648 4.055 5.472 1.00 0.00 C ATOM 685 CG2 VAL A 44 -7.432 3.448 4.473 1.00 0.00 C ATOM 0 H VAL A 44 -10.767 1.634 5.686 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.035 0.993 5.401 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.309 2.575 3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.713 4.878 4.760 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.649 3.681 5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.186 4.408 6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.545 4.286 3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.891 3.778 5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.874 2.650 3.984 1.00 0.00 H new ATOM 695 N GLN A 45 -8.896 2.414 8.184 1.00 0.00 N ATOM 696 CA GLN A 45 -8.427 2.798 9.496 1.00 0.00 C ATOM 697 C GLN A 45 -8.119 1.564 10.340 1.00 0.00 C ATOM 698 O GLN A 45 -7.414 1.652 11.343 1.00 0.00 O ATOM 699 CB GLN A 45 -9.480 3.665 10.185 1.00 0.00 C ATOM 700 CG GLN A 45 -10.769 2.932 10.503 1.00 0.00 C ATOM 701 CD GLN A 45 -11.826 3.823 11.121 1.00 0.00 C ATOM 702 OE1 GLN A 45 -12.632 3.367 11.930 1.00 0.00 O ATOM 703 NE2 GLN A 45 -11.854 5.089 10.736 1.00 0.00 N ATOM 0 H GLN A 45 -9.910 2.330 8.107 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.507 3.372 9.387 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.061 4.061 11.110 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.707 4.519 9.547 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.164 2.492 9.588 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.553 2.109 11.185 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.169 5.433 10.063 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.560 5.721 11.113 1.00 0.00 H new ATOM 712 N ASP A 46 -8.646 0.410 9.929 1.00 0.00 N ATOM 713 CA ASP A 46 -8.460 -0.827 10.686 1.00 0.00 C ATOM 714 C ASP A 46 -7.203 -1.574 10.239 1.00 0.00 C ATOM 715 O ASP A 46 -6.710 -2.459 10.941 1.00 0.00 O ATOM 716 CB ASP A 46 -9.686 -1.725 10.533 1.00 0.00 C ATOM 717 CG ASP A 46 -9.678 -2.887 11.503 1.00 0.00 C ATOM 718 OD1 ASP A 46 -9.560 -2.642 12.720 1.00 0.00 O ATOM 719 OD2 ASP A 46 -9.829 -4.047 11.060 1.00 0.00 O ATOM 0 H ASP A 46 -9.202 0.307 9.080 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.336 -0.561 11.736 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.588 -1.133 10.688 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.727 -2.107 9.513 1.00 0.00 H new ATOM 724 N VAL A 47 -6.693 -1.222 9.065 1.00 0.00 N ATOM 725 CA VAL A 47 -5.475 -1.835 8.543 1.00 0.00 C ATOM 726 C VAL A 47 -4.261 -1.399 9.359 1.00 0.00 C ATOM 727 O VAL A 47 -3.911 -0.220 9.379 1.00 0.00 O ATOM 728 CB VAL A 47 -5.244 -1.472 7.059 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.949 -2.087 6.546 1.00 0.00 C ATOM 730 CG2 VAL A 47 -6.422 -1.925 6.207 1.00 0.00 C ATOM 0 H VAL A 47 -7.103 -0.515 8.455 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.602 -2.915 8.621 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.160 -0.388 6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.808 -1.818 5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.111 -1.712 7.133 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.000 -3.172 6.638 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.241 -1.660 5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.538 -3.005 6.292 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.331 -1.434 6.553 1.00 0.00 H new ATOM 740 N ASP A 48 -3.633 -2.352 10.036 1.00 0.00 N ATOM 741 CA ASP A 48 -2.466 -2.057 10.868 1.00 0.00 C ATOM 742 C ASP A 48 -1.214 -2.710 10.298 1.00 0.00 C ATOM 743 O ASP A 48 -1.292 -3.490 9.346 1.00 0.00 O ATOM 744 CB ASP A 48 -2.679 -2.527 12.312 1.00 0.00 C ATOM 745 CG ASP A 48 -3.776 -1.765 13.026 1.00 0.00 C ATOM 746 OD1 ASP A 48 -3.637 -0.536 13.205 1.00 0.00 O ATOM 747 OD2 ASP A 48 -4.774 -2.395 13.437 1.00 0.00 O ATOM 0 H ASP A 48 -3.909 -3.334 10.028 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.334 -0.975 10.869 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.924 -3.589 12.310 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.747 -2.416 12.866 1.00 0.00 H new ATOM 752 N THR A 49 -0.065 -2.398 10.894 1.00 0.00 N ATOM 753 CA THR A 49 1.218 -2.932 10.452 1.00 0.00 C ATOM 754 C THR A 49 1.233 -4.456 10.545 1.00 0.00 C ATOM 755 O THR A 49 1.787 -5.138 9.681 1.00 0.00 O ATOM 756 CB THR A 49 2.365 -2.354 11.303 1.00 0.00 C ATOM 757 OG1 THR A 49 2.249 -0.927 11.356 1.00 0.00 O ATOM 758 CG2 THR A 49 3.722 -2.733 10.729 1.00 0.00 C ATOM 0 H THR A 49 0.001 -1.769 11.695 1.00 0.00 H new ATOM 0 HA THR A 49 1.361 -2.640 9.411 1.00 0.00 H new ATOM 0 HB THR A 49 2.290 -2.772 12.307 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.472 -0.548 10.480 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.511 -2.311 11.351 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.818 -3.819 10.708 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.811 -2.342 9.716 1.00 0.00 H new ATOM 766 N LYS A 50 0.600 -4.972 11.591 1.00 0.00 N ATOM 767 CA LYS A 50 0.474 -6.406 11.805 1.00 0.00 C ATOM 768 C LYS A 50 -0.141 -7.081 10.587 1.00 0.00 C ATOM 769 O LYS A 50 0.337 -8.117 10.123 1.00 0.00 O ATOM 770 CB LYS A 50 -0.407 -6.650 13.024 1.00 0.00 C ATOM 771 CG LYS A 50 -0.516 -8.105 13.444 1.00 0.00 C ATOM 772 CD LYS A 50 -1.475 -8.253 14.612 1.00 0.00 C ATOM 773 CE LYS A 50 -1.045 -7.388 15.783 1.00 0.00 C ATOM 774 NZ LYS A 50 -2.131 -7.210 16.778 1.00 0.00 N ATOM 0 H LYS A 50 0.159 -4.406 12.316 1.00 0.00 H new ATOM 0 HA LYS A 50 1.465 -6.829 11.968 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.015 -6.072 13.861 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.407 -6.270 12.815 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.862 -8.707 12.604 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.467 -8.483 13.723 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.481 -7.973 14.299 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.517 -9.297 14.923 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.181 -7.841 16.269 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.729 -6.412 15.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.792 -6.613 17.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.947 -6.754 16.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.416 -8.138 17.150 1.00 0.00 H new ATOM 788 N LEU A 51 -1.198 -6.474 10.070 1.00 0.00 N ATOM 789 CA LEU A 51 -1.893 -6.991 8.906 1.00 0.00 C ATOM 790 C LEU A 51 -1.015 -6.892 7.665 1.00 0.00 C ATOM 791 O LEU A 51 -0.971 -7.810 6.849 1.00 0.00 O ATOM 792 CB LEU A 51 -3.193 -6.215 8.696 1.00 0.00 C ATOM 793 CG LEU A 51 -4.209 -6.326 9.829 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.462 -5.533 9.496 1.00 0.00 C ATOM 795 CD2 LEU A 51 -4.558 -7.783 10.098 1.00 0.00 C ATOM 0 H LEU A 51 -1.595 -5.613 10.445 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.125 -8.042 9.076 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.949 -5.163 8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.661 -6.564 7.775 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.763 -5.909 10.732 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.177 -5.622 10.314 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.202 -4.484 9.354 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.907 -5.923 8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.284 -7.839 10.909 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.984 -8.227 9.198 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.656 -8.327 10.379 1.00 0.00 H new ATOM 807 N ILE A 52 -0.307 -5.776 7.543 1.00 0.00 N ATOM 808 CA ILE A 52 0.549 -5.523 6.390 1.00 0.00 C ATOM 809 C ILE A 52 1.699 -6.529 6.311 1.00 0.00 C ATOM 810 O ILE A 52 2.030 -7.018 5.230 1.00 0.00 O ATOM 811 CB ILE A 52 1.122 -4.090 6.427 1.00 0.00 C ATOM 812 CG1 ILE A 52 -0.016 -3.066 6.379 1.00 0.00 C ATOM 813 CG2 ILE A 52 2.095 -3.867 5.277 1.00 0.00 C ATOM 814 CD1 ILE A 52 0.447 -1.631 6.494 1.00 0.00 C ATOM 0 H ILE A 52 -0.309 -5.026 8.234 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.074 -5.636 5.503 1.00 0.00 H new ATOM 0 HB ILE A 52 1.669 -3.960 7.361 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.562 -3.188 5.444 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.717 -3.278 7.187 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.486 -2.851 5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.919 -4.577 5.355 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.578 -4.014 4.329 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.416 -0.966 6.452 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.967 -1.491 7.442 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.124 -1.400 5.671 1.00 0.00 H new ATOM 826 N MET A 53 2.299 -6.839 7.456 1.00 0.00 N ATOM 827 CA MET A 53 3.417 -7.782 7.505 1.00 0.00 C ATOM 828 C MET A 53 2.984 -9.165 7.033 1.00 0.00 C ATOM 829 O MET A 53 3.760 -9.885 6.401 1.00 0.00 O ATOM 830 CB MET A 53 3.999 -7.871 8.919 1.00 0.00 C ATOM 831 CG MET A 53 4.682 -6.593 9.378 1.00 0.00 C ATOM 832 SD MET A 53 5.441 -6.746 11.004 1.00 0.00 S ATOM 833 CE MET A 53 4.001 -7.057 12.022 1.00 0.00 C ATOM 0 H MET A 53 2.032 -6.453 8.362 1.00 0.00 H new ATOM 0 HA MET A 53 4.191 -7.410 6.833 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.199 -8.116 9.617 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.717 -8.690 8.956 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.445 -6.314 8.652 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.951 -5.784 9.399 1.00 0.00 H new ATOM 0 HE1 MET A 53 4.314 -7.228 13.052 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.335 -6.195 11.983 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.477 -7.938 11.651 1.00 0.00 H new ATOM 843 N LYS A 54 1.742 -9.525 7.335 1.00 0.00 N ATOM 844 CA LYS A 54 1.189 -10.801 6.902 1.00 0.00 C ATOM 845 C LYS A 54 1.071 -10.849 5.382 1.00 0.00 C ATOM 846 O LYS A 54 1.306 -11.885 4.766 1.00 0.00 O ATOM 847 CB LYS A 54 -0.180 -11.042 7.541 1.00 0.00 C ATOM 848 CG LYS A 54 -0.145 -11.113 9.059 1.00 0.00 C ATOM 849 CD LYS A 54 -1.513 -11.440 9.638 1.00 0.00 C ATOM 850 CE LYS A 54 -1.976 -12.831 9.234 1.00 0.00 C ATOM 851 NZ LYS A 54 -3.299 -13.167 9.818 1.00 0.00 N ATOM 0 H LYS A 54 1.099 -8.950 7.879 1.00 0.00 H new ATOM 0 HA LYS A 54 1.869 -11.589 7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.857 -10.243 7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.593 -11.973 7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.573 -11.871 9.371 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.202 -10.161 9.460 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.474 -11.371 10.725 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.239 -10.701 9.297 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.033 -12.893 8.147 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.239 -13.567 9.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.578 -14.123 9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.239 -13.133 10.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.008 -12.481 9.490 1.00 0.00 H new ATOM 865 N VAL A 55 0.702 -9.719 4.791 1.00 0.00 N ATOM 866 CA VAL A 55 0.547 -9.621 3.344 1.00 0.00 C ATOM 867 C VAL A 55 1.899 -9.690 2.637 1.00 0.00 C ATOM 868 O VAL A 55 2.062 -10.414 1.658 1.00 0.00 O ATOM 869 CB VAL A 55 -0.153 -8.303 2.940 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.395 -8.251 1.438 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.458 -8.127 3.696 1.00 0.00 C ATOM 0 H VAL A 55 0.504 -8.854 5.294 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.069 -10.467 3.038 1.00 0.00 H new ATOM 0 HB VAL A 55 0.510 -7.480 3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.888 -7.314 1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.558 -8.315 0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.028 -9.087 1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.930 -7.192 3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.124 -8.960 3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.257 -8.102 4.767 1.00 0.00 H new ATOM 881 N LEU A 56 2.865 -8.939 3.147 1.00 0.00 N ATOM 882 CA LEU A 56 4.156 -8.790 2.481 1.00 0.00 C ATOM 883 C LEU A 56 5.007 -10.056 2.564 1.00 0.00 C ATOM 884 O LEU A 56 5.770 -10.346 1.643 1.00 0.00 O ATOM 885 CB LEU A 56 4.925 -7.609 3.079 1.00 0.00 C ATOM 886 CG LEU A 56 4.284 -6.234 2.871 1.00 0.00 C ATOM 887 CD1 LEU A 56 5.142 -5.150 3.502 1.00 0.00 C ATOM 888 CD2 LEU A 56 4.084 -5.956 1.388 1.00 0.00 C ATOM 0 H LEU A 56 2.781 -8.421 4.022 1.00 0.00 H new ATOM 0 HA LEU A 56 3.951 -8.604 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.042 -7.778 4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.926 -7.593 2.648 1.00 0.00 H new ATOM 0 HG LEU A 56 3.308 -6.232 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.674 -4.178 3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.239 -5.339 4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.130 -5.154 3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.627 -4.975 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.049 -5.976 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.433 -6.718 0.960 1.00 0.00 H new ATOM 900 N ASP A 57 4.863 -10.808 3.655 1.00 0.00 N ATOM 901 CA ASP A 57 5.710 -11.982 3.917 1.00 0.00 C ATOM 902 C ASP A 57 5.788 -12.933 2.712 1.00 0.00 C ATOM 903 O ASP A 57 6.883 -13.206 2.213 1.00 0.00 O ATOM 904 CB ASP A 57 5.207 -12.749 5.143 1.00 0.00 C ATOM 905 CG ASP A 57 6.225 -13.750 5.660 1.00 0.00 C ATOM 906 OD1 ASP A 57 7.205 -13.327 6.308 1.00 0.00 O ATOM 907 OD2 ASP A 57 6.040 -14.967 5.436 1.00 0.00 O ATOM 0 H ASP A 57 4.166 -10.628 4.377 1.00 0.00 H new ATOM 0 HA ASP A 57 6.714 -11.603 4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.963 -12.041 5.935 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.285 -13.272 4.888 1.00 0.00 H new ATOM 912 N PRO A 58 4.639 -13.443 2.210 1.00 0.00 N ATOM 913 CA PRO A 58 4.628 -14.385 1.084 1.00 0.00 C ATOM 914 C PRO A 58 5.024 -13.738 -0.244 1.00 0.00 C ATOM 915 O PRO A 58 5.324 -14.434 -1.211 1.00 0.00 O ATOM 916 CB PRO A 58 3.177 -14.869 1.028 1.00 0.00 C ATOM 917 CG PRO A 58 2.382 -13.779 1.659 1.00 0.00 C ATOM 918 CD PRO A 58 3.273 -13.163 2.701 1.00 0.00 C ATOM 0 HA PRO A 58 5.355 -15.184 1.231 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.859 -15.045 0.000 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.054 -15.809 1.565 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.079 -13.039 0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.470 -14.172 2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.095 -12.092 2.797 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.103 -13.604 3.683 1.00 0.00 H new ATOM 926 N ILE A 59 5.037 -12.412 -0.290 1.00 0.00 N ATOM 927 CA ILE A 59 5.379 -11.712 -1.521 1.00 0.00 C ATOM 928 C ILE A 59 6.890 -11.739 -1.741 1.00 0.00 C ATOM 929 O ILE A 59 7.354 -11.843 -2.876 1.00 0.00 O ATOM 930 CB ILE A 59 4.882 -10.248 -1.528 1.00 0.00 C ATOM 931 CG1 ILE A 59 3.395 -10.182 -1.174 1.00 0.00 C ATOM 932 CG2 ILE A 59 5.122 -9.620 -2.896 1.00 0.00 C ATOM 933 CD1 ILE A 59 2.842 -8.771 -1.125 1.00 0.00 C ATOM 0 H ILE A 59 4.818 -11.806 0.500 1.00 0.00 H new ATOM 0 HA ILE A 59 4.874 -12.235 -2.333 1.00 0.00 H new ATOM 0 HB ILE A 59 5.441 -9.690 -0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.830 -10.759 -1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.240 -10.657 -0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.768 -8.589 -2.890 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.188 -9.637 -3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.581 -10.185 -3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.783 -8.804 -0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.380 -8.195 -0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.964 -8.298 -2.099 1.00 0.00 H new ATOM 945 N TRP A 60 7.654 -11.672 -0.648 1.00 0.00 N ATOM 946 CA TRP A 60 9.119 -11.737 -0.720 1.00 0.00 C ATOM 947 C TRP A 60 9.570 -13.065 -1.318 1.00 0.00 C ATOM 948 O TRP A 60 10.623 -13.153 -1.953 1.00 0.00 O ATOM 949 CB TRP A 60 9.747 -11.557 0.669 1.00 0.00 C ATOM 950 CG TRP A 60 9.510 -10.207 1.271 1.00 0.00 C ATOM 951 CD1 TRP A 60 8.674 -9.908 2.307 1.00 0.00 C ATOM 952 CD2 TRP A 60 10.120 -8.974 0.880 1.00 0.00 C ATOM 953 NE1 TRP A 60 8.723 -8.565 2.581 1.00 0.00 N ATOM 954 CE2 TRP A 60 9.605 -7.969 1.719 1.00 0.00 C ATOM 955 CE3 TRP A 60 11.053 -8.622 -0.099 1.00 0.00 C ATOM 956 CZ2 TRP A 60 9.990 -6.637 1.610 1.00 0.00 C ATOM 957 CZ3 TRP A 60 11.436 -7.299 -0.208 1.00 0.00 C ATOM 958 CH2 TRP A 60 10.905 -6.321 0.643 1.00 0.00 C ATOM 0 H TRP A 60 7.285 -11.573 0.298 1.00 0.00 H new ATOM 0 HA TRP A 60 9.455 -10.924 -1.364 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.347 -12.318 1.339 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.821 -11.728 0.596 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.062 -10.625 2.835 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.190 -8.088 3.308 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.467 -9.370 -0.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.582 -5.881 2.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 12.156 -7.014 -0.961 1.00 0.00 H new ATOM 0 HH2 TRP A 60 11.225 -5.295 0.533 1.00 0.00 H new ATOM 969 N GLU A 61 8.752 -14.090 -1.121 1.00 0.00 N ATOM 970 CA GLU A 61 9.015 -15.412 -1.641 1.00 0.00 C ATOM 971 C GLU A 61 8.980 -15.417 -3.166 1.00 0.00 C ATOM 972 O GLU A 61 9.797 -16.071 -3.817 1.00 0.00 O ATOM 973 CB GLU A 61 7.956 -16.363 -1.096 1.00 0.00 C ATOM 974 CG GLU A 61 8.189 -16.802 0.341 1.00 0.00 C ATOM 975 CD GLU A 61 9.027 -18.063 0.434 1.00 0.00 C ATOM 976 OE1 GLU A 61 10.016 -18.188 -0.320 1.00 0.00 O ATOM 977 OE2 GLU A 61 8.680 -18.947 1.238 1.00 0.00 O ATOM 0 H GLU A 61 7.883 -14.020 -0.591 1.00 0.00 H new ATOM 0 HA GLU A 61 10.010 -15.730 -1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.981 -15.879 -1.162 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.917 -17.247 -1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.684 -15.999 0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.228 -16.972 0.826 1.00 0.00 H new ATOM 984 N GLN A 62 8.045 -14.669 -3.731 1.00 0.00 N ATOM 985 CA GLN A 62 7.803 -14.703 -5.162 1.00 0.00 C ATOM 986 C GLN A 62 8.420 -13.507 -5.878 1.00 0.00 C ATOM 987 O GLN A 62 9.201 -13.667 -6.821 1.00 0.00 O ATOM 988 CB GLN A 62 6.302 -14.739 -5.417 1.00 0.00 C ATOM 989 CG GLN A 62 5.623 -15.986 -4.877 1.00 0.00 C ATOM 990 CD GLN A 62 4.132 -16.000 -5.154 1.00 0.00 C ATOM 991 OE1 GLN A 62 3.489 -14.954 -5.213 1.00 0.00 O ATOM 992 NE2 GLN A 62 3.577 -17.185 -5.340 1.00 0.00 N ATOM 0 H GLN A 62 7.440 -14.029 -3.217 1.00 0.00 H new ATOM 0 HA GLN A 62 8.277 -15.600 -5.561 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.844 -13.860 -4.963 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.123 -14.674 -6.490 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.081 -16.868 -5.324 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.790 -16.051 -3.802 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.146 -18.029 -5.283 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.579 -17.255 -5.541 1.00 0.00 H new ATOM 1001 N LYS A 63 8.078 -12.312 -5.426 1.00 0.00 N ATOM 1002 CA LYS A 63 8.456 -11.090 -6.122 1.00 0.00 C ATOM 1003 C LYS A 63 8.877 -10.003 -5.132 1.00 0.00 C ATOM 1004 O LYS A 63 8.065 -9.167 -4.728 1.00 0.00 O ATOM 1005 CB LYS A 63 7.293 -10.587 -6.985 1.00 0.00 C ATOM 1006 CG LYS A 63 6.882 -11.538 -8.102 1.00 0.00 C ATOM 1007 CD LYS A 63 5.751 -10.954 -8.934 1.00 0.00 C ATOM 1008 CE LYS A 63 5.337 -11.881 -10.068 1.00 0.00 C ATOM 1009 NZ LYS A 63 4.732 -13.146 -9.572 1.00 0.00 N ATOM 0 H LYS A 63 7.536 -12.160 -4.575 1.00 0.00 H new ATOM 0 HA LYS A 63 9.306 -11.318 -6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.431 -10.406 -6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.570 -9.628 -7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.740 -11.743 -8.743 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.568 -12.491 -7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.892 -10.761 -8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.063 -9.994 -9.346 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.623 -11.367 -10.712 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.208 -12.113 -10.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.374 -13.699 -10.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.452 -13.699 -9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.946 -12.926 -8.927 1.00 0.00 H new ATOM 1023 N PRO A 64 10.151 -10.016 -4.717 1.00 0.00 N ATOM 1024 CA PRO A 64 10.685 -9.048 -3.746 1.00 0.00 C ATOM 1025 C PRO A 64 10.586 -7.598 -4.223 1.00 0.00 C ATOM 1026 O PRO A 64 10.275 -6.694 -3.440 1.00 0.00 O ATOM 1027 CB PRO A 64 12.155 -9.456 -3.597 1.00 0.00 C ATOM 1028 CG PRO A 64 12.219 -10.866 -4.071 1.00 0.00 C ATOM 1029 CD PRO A 64 11.170 -10.992 -5.137 1.00 0.00 C ATOM 0 HA PRO A 64 10.119 -9.073 -2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 64 12.804 -8.812 -4.189 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.483 -9.374 -2.561 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.207 -11.100 -4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.030 -11.562 -3.253 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.568 -10.760 -6.125 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.765 -12.003 -5.187 1.00 0.00 H new ATOM 1037 N GLU A 65 10.842 -7.376 -5.506 1.00 0.00 N ATOM 1038 CA GLU A 65 10.802 -6.031 -6.068 1.00 0.00 C ATOM 1039 C GLU A 65 9.371 -5.505 -6.064 1.00 0.00 C ATOM 1040 O GLU A 65 9.122 -4.334 -5.769 1.00 0.00 O ATOM 1041 CB GLU A 65 11.364 -6.030 -7.489 1.00 0.00 C ATOM 1042 CG GLU A 65 11.405 -4.653 -8.130 1.00 0.00 C ATOM 1043 CD GLU A 65 12.029 -4.677 -9.507 1.00 0.00 C ATOM 1044 OE1 GLU A 65 13.276 -4.664 -9.598 1.00 0.00 O ATOM 1045 OE2 GLU A 65 11.284 -4.710 -10.505 1.00 0.00 O ATOM 0 H GLU A 65 11.079 -8.108 -6.176 1.00 0.00 H new ATOM 0 HA GLU A 65 11.419 -5.376 -5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.373 -6.443 -7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.760 -6.692 -8.109 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.392 -4.257 -8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.969 -3.974 -7.490 1.00 0.00 H new ATOM 1052 N THR A 66 8.431 -6.390 -6.359 1.00 0.00 N ATOM 1053 CA THR A 66 7.024 -6.029 -6.391 1.00 0.00 C ATOM 1054 C THR A 66 6.529 -5.700 -4.986 1.00 0.00 C ATOM 1055 O THR A 66 5.712 -4.800 -4.801 1.00 0.00 O ATOM 1056 CB THR A 66 6.177 -7.170 -6.982 1.00 0.00 C ATOM 1057 OG1 THR A 66 6.823 -7.686 -8.152 1.00 0.00 O ATOM 1058 CG2 THR A 66 4.780 -6.686 -7.345 1.00 0.00 C ATOM 0 H THR A 66 8.620 -7.368 -6.580 1.00 0.00 H new ATOM 0 HA THR A 66 6.918 -5.149 -7.026 1.00 0.00 H new ATOM 0 HB THR A 66 6.083 -7.953 -6.230 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.151 -7.880 -8.838 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.205 -7.514 -7.760 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.282 -6.310 -6.452 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.852 -5.888 -8.084 1.00 0.00 H new ATOM 1066 N ALA A 67 7.052 -6.426 -4.003 1.00 0.00 N ATOM 1067 CA ALA A 67 6.731 -6.174 -2.603 1.00 0.00 C ATOM 1068 C ALA A 67 7.196 -4.784 -2.189 1.00 0.00 C ATOM 1069 O ALA A 67 6.476 -4.053 -1.510 1.00 0.00 O ATOM 1070 CB ALA A 67 7.373 -7.229 -1.711 1.00 0.00 C ATOM 0 H ALA A 67 7.703 -7.197 -4.152 1.00 0.00 H new ATOM 0 HA ALA A 67 5.649 -6.228 -2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.123 -7.026 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.000 -8.215 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.455 -7.202 -1.837 1.00 0.00 H new ATOM 1076 N SER A 68 8.399 -4.423 -2.617 1.00 0.00 N ATOM 1077 CA SER A 68 8.968 -3.118 -2.310 1.00 0.00 C ATOM 1078 C SER A 68 8.152 -2.005 -2.972 1.00 0.00 C ATOM 1079 O SER A 68 7.870 -0.971 -2.360 1.00 0.00 O ATOM 1080 CB SER A 68 10.423 -3.066 -2.780 1.00 0.00 C ATOM 1081 OG SER A 68 11.176 -4.132 -2.225 1.00 0.00 O ATOM 0 H SER A 68 9.003 -5.021 -3.182 1.00 0.00 H new ATOM 0 HA SER A 68 8.937 -2.965 -1.231 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.459 -3.119 -3.868 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.868 -2.114 -2.492 1.00 0.00 H new ATOM 0 HG SER A 68 10.917 -4.974 -2.654 1.00 0.00 H new ATOM 1087 N ARG A 69 7.762 -2.234 -4.222 1.00 0.00 N ATOM 1088 CA ARG A 69 6.959 -1.281 -4.967 1.00 0.00 C ATOM 1089 C ARG A 69 5.576 -1.120 -4.342 1.00 0.00 C ATOM 1090 O ARG A 69 5.094 -0.002 -4.157 1.00 0.00 O ATOM 1091 CB ARG A 69 6.840 -1.735 -6.418 1.00 0.00 C ATOM 1092 CG ARG A 69 8.087 -1.468 -7.237 1.00 0.00 C ATOM 1093 CD ARG A 69 7.901 -1.877 -8.688 1.00 0.00 C ATOM 1094 NE ARG A 69 9.010 -1.430 -9.527 1.00 0.00 N ATOM 1095 CZ ARG A 69 9.100 -1.678 -10.829 1.00 0.00 C ATOM 1096 NH1 ARG A 69 8.163 -2.392 -11.441 1.00 0.00 N ATOM 1097 NH2 ARG A 69 10.125 -1.201 -11.523 1.00 0.00 N ATOM 0 H ARG A 69 7.994 -3.081 -4.741 1.00 0.00 H new ATOM 0 HA ARG A 69 7.453 -0.310 -4.934 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.622 -2.803 -6.440 1.00 0.00 H new ATOM 0 HB3 ARG A 69 5.994 -1.227 -6.882 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.336 -0.408 -7.186 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.928 -2.014 -6.809 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.813 -2.962 -8.751 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.968 -1.459 -9.066 1.00 0.00 H new ATOM 0 HE ARG A 69 9.760 -0.896 -9.087 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.369 -2.753 -10.911 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.237 -2.580 -12.441 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.842 -0.645 -11.057 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.196 -1.390 -12.523 1.00 0.00 H new ATOM 1111 N LEU A 70 4.953 -2.242 -3.998 1.00 0.00 N ATOM 1112 CA LEU A 70 3.642 -2.231 -3.360 1.00 0.00 C ATOM 1113 C LEU A 70 3.719 -1.544 -2.001 1.00 0.00 C ATOM 1114 O LEU A 70 2.785 -0.854 -1.586 1.00 0.00 O ATOM 1115 CB LEU A 70 3.116 -3.661 -3.198 1.00 0.00 C ATOM 1116 CG LEU A 70 1.732 -3.778 -2.554 1.00 0.00 C ATOM 1117 CD1 LEU A 70 0.676 -3.126 -3.432 1.00 0.00 C ATOM 1118 CD2 LEU A 70 1.392 -5.236 -2.290 1.00 0.00 C ATOM 0 H LEU A 70 5.337 -3.174 -4.151 1.00 0.00 H new ATOM 0 HA LEU A 70 2.953 -1.674 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.083 -4.132 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.828 -4.227 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 70 1.749 -3.253 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.301 -3.220 -2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.915 -2.071 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.656 -3.619 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.405 -5.302 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.393 -5.786 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.134 -5.667 -1.617 1.00 0.00 H new ATOM 1130 N ARG A 71 4.848 -1.729 -1.325 1.00 0.00 N ATOM 1131 CA ARG A 71 5.070 -1.154 -0.007 1.00 0.00 C ATOM 1132 C ARG A 71 4.895 0.361 -0.048 1.00 0.00 C ATOM 1133 O ARG A 71 4.170 0.930 0.774 1.00 0.00 O ATOM 1134 CB ARG A 71 6.478 -1.506 0.495 1.00 0.00 C ATOM 1135 CG ARG A 71 6.581 -1.638 2.007 1.00 0.00 C ATOM 1136 CD ARG A 71 6.204 -0.350 2.721 1.00 0.00 C ATOM 1137 NE ARG A 71 5.673 -0.613 4.052 1.00 0.00 N ATOM 1138 CZ ARG A 71 4.394 -0.897 4.293 1.00 0.00 C ATOM 1139 NH1 ARG A 71 3.506 -0.876 3.302 1.00 0.00 N ATOM 1140 NH2 ARG A 71 4.000 -1.181 5.528 1.00 0.00 N ATOM 0 H ARG A 71 5.631 -2.280 -1.676 1.00 0.00 H new ATOM 0 HA ARG A 71 4.334 -1.572 0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.792 -2.444 0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.175 -0.738 0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.929 -2.444 2.345 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.599 -1.917 2.277 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.080 0.294 2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.462 0.190 2.132 1.00 0.00 H new ATOM 0 HE ARG A 71 6.316 -0.578 4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.804 -0.642 2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.527 -1.094 3.489 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.676 -1.182 6.292 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.021 -1.399 5.714 1.00 0.00 H new ATOM 1154 N GLY A 72 5.546 1.001 -1.013 1.00 0.00 N ATOM 1155 CA GLY A 72 5.492 2.447 -1.122 1.00 0.00 C ATOM 1156 C GLY A 72 4.095 2.955 -1.417 1.00 0.00 C ATOM 1157 O GLY A 72 3.696 4.010 -0.924 1.00 0.00 O ATOM 0 H GLY A 72 6.113 0.541 -1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.848 2.892 -0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.168 2.774 -1.912 1.00 0.00 H new ATOM 1161 N ARG A 73 3.349 2.185 -2.204 1.00 0.00 N ATOM 1162 CA ARG A 73 1.990 2.555 -2.588 1.00 0.00 C ATOM 1163 C ARG A 73 1.090 2.668 -1.363 1.00 0.00 C ATOM 1164 O ARG A 73 0.350 3.637 -1.213 1.00 0.00 O ATOM 1165 CB ARG A 73 1.410 1.527 -3.563 1.00 0.00 C ATOM 1166 CG ARG A 73 2.269 1.309 -4.796 1.00 0.00 C ATOM 1167 CD ARG A 73 1.619 0.332 -5.761 1.00 0.00 C ATOM 1168 NE ARG A 73 2.485 0.044 -6.903 1.00 0.00 N ATOM 1169 CZ ARG A 73 2.157 -0.759 -7.914 1.00 0.00 C ATOM 1170 NH1 ARG A 73 0.974 -1.358 -7.940 1.00 0.00 N ATOM 1171 NH2 ARG A 73 3.016 -0.949 -8.907 1.00 0.00 N ATOM 0 H ARG A 73 3.665 1.296 -2.590 1.00 0.00 H new ATOM 0 HA ARG A 73 2.034 3.527 -3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.285 0.576 -3.044 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.418 1.853 -3.874 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.435 2.262 -5.298 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.247 0.931 -4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.386 -0.595 -5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.674 0.744 -6.115 1.00 0.00 H new ATOM 0 HE ARG A 73 3.403 0.488 -6.927 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.308 -1.205 -7.183 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.730 -1.971 -8.717 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.922 -0.481 -8.894 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.770 -1.563 -9.684 1.00 0.00 H new ATOM 1185 N ILE A 74 1.173 1.673 -0.487 1.00 0.00 N ATOM 1186 CA ILE A 74 0.363 1.643 0.726 1.00 0.00 C ATOM 1187 C ILE A 74 0.643 2.873 1.591 1.00 0.00 C ATOM 1188 O ILE A 74 -0.272 3.486 2.139 1.00 0.00 O ATOM 1189 CB ILE A 74 0.636 0.357 1.539 1.00 0.00 C ATOM 1190 CG1 ILE A 74 0.421 -0.882 0.659 1.00 0.00 C ATOM 1191 CG2 ILE A 74 -0.261 0.297 2.766 1.00 0.00 C ATOM 1192 CD1 ILE A 74 0.741 -2.191 1.355 1.00 0.00 C ATOM 0 H ILE A 74 1.796 0.873 -0.595 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.685 1.651 0.428 1.00 0.00 H new ATOM 0 HB ILE A 74 1.673 0.374 1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.616 -0.903 0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.041 -0.795 -0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.053 -0.616 3.324 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.068 1.162 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.305 0.301 2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.565 -3.020 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.786 -2.192 1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.103 -2.303 2.231 1.00 0.00 H new ATOM 1204 N GLU A 75 1.915 3.242 1.677 1.00 0.00 N ATOM 1205 CA GLU A 75 2.341 4.415 2.437 1.00 0.00 C ATOM 1206 C GLU A 75 1.694 5.676 1.875 1.00 0.00 C ATOM 1207 O GLU A 75 1.136 6.480 2.623 1.00 0.00 O ATOM 1208 CB GLU A 75 3.860 4.532 2.369 1.00 0.00 C ATOM 1209 CG GLU A 75 4.445 5.605 3.269 1.00 0.00 C ATOM 1210 CD GLU A 75 5.905 5.848 2.970 1.00 0.00 C ATOM 1211 OE1 GLU A 75 6.744 5.010 3.354 1.00 0.00 O ATOM 1212 OE2 GLU A 75 6.217 6.870 2.322 1.00 0.00 O ATOM 0 H GLU A 75 2.679 2.740 1.225 1.00 0.00 H new ATOM 0 HA GLU A 75 2.029 4.303 3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.299 3.571 2.637 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.151 4.740 1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.887 6.533 3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.331 5.308 4.311 1.00 0.00 H new ATOM 1219 N SER A 76 1.746 5.827 0.556 1.00 0.00 N ATOM 1220 CA SER A 76 1.181 6.997 -0.105 1.00 0.00 C ATOM 1221 C SER A 76 -0.331 7.087 0.125 1.00 0.00 C ATOM 1222 O SER A 76 -0.865 8.169 0.380 1.00 0.00 O ATOM 1223 CB SER A 76 1.482 6.950 -1.601 1.00 0.00 C ATOM 1224 OG SER A 76 2.876 6.820 -1.842 1.00 0.00 O ATOM 0 H SER A 76 2.175 5.152 -0.077 1.00 0.00 H new ATOM 0 HA SER A 76 1.642 7.885 0.327 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.952 6.112 -2.055 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.111 7.857 -2.078 1.00 0.00 H new ATOM 0 HG SER A 76 3.163 5.910 -1.618 1.00 0.00 H new ATOM 1230 N VAL A 77 -1.013 5.946 0.041 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.463 5.904 0.218 1.00 0.00 C ATOM 1232 C VAL A 77 -2.854 6.190 1.665 1.00 0.00 C ATOM 1233 O VAL A 77 -3.741 7.004 1.925 1.00 0.00 O ATOM 1234 CB VAL A 77 -3.057 4.540 -0.208 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.558 4.500 0.026 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -2.738 4.252 -1.667 1.00 0.00 C ATOM 0 H VAL A 77 -0.585 5.040 -0.148 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.874 6.681 -0.427 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.599 3.766 0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.949 3.530 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.765 4.655 1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.038 5.286 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.163 3.289 -1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.165 5.035 -2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.657 4.226 -1.805 1.00 0.00 H new ATOM 1246 N LEU A 78 -2.191 5.528 2.608 1.00 0.00 N ATOM 1247 CA LEU A 78 -2.534 5.674 4.020 1.00 0.00 C ATOM 1248 C LEU A 78 -2.288 7.095 4.513 1.00 0.00 C ATOM 1249 O LEU A 78 -3.085 7.635 5.287 1.00 0.00 O ATOM 1250 CB LEU A 78 -1.761 4.672 4.880 1.00 0.00 C ATOM 1251 CG LEU A 78 -2.155 3.205 4.682 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -1.340 2.307 5.598 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -3.643 3.010 4.933 1.00 0.00 C ATOM 0 H LEU A 78 -1.418 4.889 2.423 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.599 5.464 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.697 4.778 4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.903 4.932 5.929 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.943 2.930 3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.633 1.268 5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.280 2.422 5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.522 2.585 6.636 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.902 1.961 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.881 3.304 5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.213 3.625 4.237 1.00 0.00 H new ATOM 1265 N ASP A 79 -1.194 7.703 4.067 1.00 0.00 N ATOM 1266 CA ASP A 79 -0.890 9.089 4.425 1.00 0.00 C ATOM 1267 C ASP A 79 -1.996 10.005 3.911 1.00 0.00 C ATOM 1268 O ASP A 79 -2.515 10.851 4.640 1.00 0.00 O ATOM 1269 CB ASP A 79 0.459 9.515 3.836 1.00 0.00 C ATOM 1270 CG ASP A 79 0.907 10.885 4.313 1.00 0.00 C ATOM 1271 OD1 ASP A 79 1.531 10.961 5.396 1.00 0.00 O ATOM 1272 OD2 ASP A 79 0.656 11.883 3.604 1.00 0.00 O ATOM 0 H ASP A 79 -0.504 7.262 3.459 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.831 9.166 5.511 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.216 8.777 4.104 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.389 9.520 2.748 1.00 0.00 H new ATOM 1277 N TRP A 80 -2.369 9.781 2.656 1.00 0.00 N ATOM 1278 CA TRP A 80 -3.441 10.525 2.005 1.00 0.00 C ATOM 1279 C TRP A 80 -4.755 10.364 2.771 1.00 0.00 C ATOM 1280 O TRP A 80 -5.404 11.349 3.124 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.587 10.016 0.567 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.673 10.671 -0.233 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.611 11.876 -0.869 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -5.973 10.133 -0.515 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -5.790 12.124 -1.527 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -6.645 11.071 -1.322 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.635 8.953 -0.160 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -7.944 10.863 -1.780 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -7.923 8.750 -0.616 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.565 9.700 -1.419 1.00 0.00 C ATOM 0 H TRP A 80 -1.935 9.076 2.060 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.195 11.587 1.995 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.639 10.160 0.049 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.775 8.943 0.595 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.758 12.539 -0.857 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.997 12.956 -2.079 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.148 8.214 0.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.443 11.595 -2.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.444 7.843 -0.348 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.572 9.510 -1.760 1.00 0.00 H new ATOM 1301 N ALA A 81 -5.119 9.118 3.051 1.00 0.00 N ATOM 1302 CA ALA A 81 -6.368 8.810 3.742 1.00 0.00 C ATOM 1303 C ALA A 81 -6.438 9.481 5.110 1.00 0.00 C ATOM 1304 O ALA A 81 -7.506 9.921 5.541 1.00 0.00 O ATOM 1305 CB ALA A 81 -6.525 7.307 3.888 1.00 0.00 C ATOM 0 H ALA A 81 -4.563 8.298 2.808 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.187 9.203 3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.459 7.087 4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.539 6.845 2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.690 6.908 4.464 1.00 0.00 H new ATOM 1311 N THR A 82 -5.301 9.562 5.785 1.00 0.00 N ATOM 1312 CA THR A 82 -5.247 10.156 7.112 1.00 0.00 C ATOM 1313 C THR A 82 -5.527 11.660 7.049 1.00 0.00 C ATOM 1314 O THR A 82 -6.221 12.210 7.905 1.00 0.00 O ATOM 1315 CB THR A 82 -3.877 9.900 7.770 1.00 0.00 C ATOM 1316 OG1 THR A 82 -3.570 8.498 7.716 1.00 0.00 O ATOM 1317 CG2 THR A 82 -3.867 10.363 9.218 1.00 0.00 C ATOM 0 H THR A 82 -4.404 9.224 5.436 1.00 0.00 H new ATOM 0 HA THR A 82 -6.019 9.685 7.720 1.00 0.00 H new ATOM 0 HB THR A 82 -3.126 10.468 7.222 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.262 8.265 6.815 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.888 10.169 9.655 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.078 11.432 9.260 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.628 9.821 9.779 1.00 0.00 H new ATOM 1325 N VAL A 83 -5.012 12.317 6.019 1.00 0.00 N ATOM 1326 CA VAL A 83 -5.212 13.752 5.856 1.00 0.00 C ATOM 1327 C VAL A 83 -6.611 14.046 5.308 1.00 0.00 C ATOM 1328 O VAL A 83 -7.226 15.059 5.651 1.00 0.00 O ATOM 1329 CB VAL A 83 -4.152 14.367 4.916 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -4.311 15.881 4.831 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -2.749 14.002 5.381 1.00 0.00 C ATOM 0 H VAL A 83 -4.454 11.881 5.285 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.108 14.206 6.841 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.304 13.954 3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.553 16.290 4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.302 16.122 4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.192 16.316 5.824 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.016 14.444 4.707 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.590 14.382 6.390 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.636 12.918 5.380 1.00 0.00 H new ATOM 1341 N ARG A 84 -7.113 13.147 4.464 1.00 0.00 N ATOM 1342 CA ARG A 84 -8.437 13.306 3.862 1.00 0.00 C ATOM 1343 C ARG A 84 -9.549 13.093 4.886 1.00 0.00 C ATOM 1344 O ARG A 84 -10.657 13.607 4.725 1.00 0.00 O ATOM 1345 CB ARG A 84 -8.615 12.335 2.691 1.00 0.00 C ATOM 1346 CG ARG A 84 -7.709 12.633 1.506 1.00 0.00 C ATOM 1347 CD ARG A 84 -7.950 14.026 0.952 1.00 0.00 C ATOM 1348 NE ARG A 84 -9.332 14.217 0.510 1.00 0.00 N ATOM 1349 CZ ARG A 84 -10.007 15.354 0.665 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -9.428 16.393 1.255 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -11.254 15.455 0.225 1.00 0.00 N ATOM 0 H ARG A 84 -6.622 12.299 4.180 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.507 14.329 3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.421 11.320 3.039 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.653 12.365 2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.667 12.538 1.811 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.880 11.895 0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.710 14.765 1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.275 14.203 0.114 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.805 13.435 0.058 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.467 16.320 1.589 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.944 17.265 1.374 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.699 14.660 -0.234 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.768 16.328 0.345 1.00 0.00 H new ATOM 1365 N GLY A 85 -9.255 12.333 5.932 1.00 0.00 N ATOM 1366 CA GLY A 85 -10.227 12.129 6.988 1.00 0.00 C ATOM 1367 C GLY A 85 -10.917 10.783 6.904 1.00 0.00 C ATOM 1368 O GLY A 85 -12.028 10.616 7.407 1.00 0.00 O ATOM 0 H GLY A 85 -8.364 11.855 6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.730 12.217 7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.977 12.919 6.942 1.00 0.00 H new ATOM 1372 N TYR A 86 -10.267 9.818 6.268 1.00 0.00 N ATOM 1373 CA TYR A 86 -10.818 8.471 6.186 1.00 0.00 C ATOM 1374 C TYR A 86 -10.266 7.608 7.313 1.00 0.00 C ATOM 1375 O TYR A 86 -10.758 6.508 7.573 1.00 0.00 O ATOM 1376 CB TYR A 86 -10.504 7.837 4.829 1.00 0.00 C ATOM 1377 CG TYR A 86 -11.114 8.582 3.662 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -12.492 8.681 3.522 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -10.315 9.187 2.702 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -13.056 9.369 2.466 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -10.872 9.875 1.639 1.00 0.00 C ATOM 1382 CZ TYR A 86 -12.242 9.961 1.527 1.00 0.00 C ATOM 1383 OH TYR A 86 -12.801 10.655 0.479 1.00 0.00 O ATOM 0 H TYR A 86 -9.366 9.940 5.805 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.901 8.536 6.290 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.423 7.794 4.698 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.867 6.809 4.824 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -13.134 8.211 4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.240 9.120 2.786 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.130 9.442 2.377 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.236 10.342 0.901 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.090 11.012 -0.093 1.00 0.00 H new ATOM 1393 N ARG A 87 -9.241 8.125 7.977 1.00 0.00 N ATOM 1394 CA ARG A 87 -8.613 7.437 9.092 1.00 0.00 C ATOM 1395 C ARG A 87 -7.754 8.417 9.882 1.00 0.00 C ATOM 1396 O ARG A 87 -7.282 9.415 9.335 1.00 0.00 O ATOM 1397 CB ARG A 87 -7.752 6.269 8.595 1.00 0.00 C ATOM 1398 CG ARG A 87 -6.564 6.697 7.749 1.00 0.00 C ATOM 1399 CD ARG A 87 -5.728 5.505 7.311 1.00 0.00 C ATOM 1400 NE ARG A 87 -5.344 4.655 8.438 1.00 0.00 N ATOM 1401 CZ ARG A 87 -4.362 4.943 9.295 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -3.673 6.073 9.172 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -4.072 4.106 10.285 1.00 0.00 N ATOM 0 H ARG A 87 -8.824 9.030 7.757 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.394 7.037 9.738 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.389 5.706 9.455 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.376 5.593 8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.918 7.236 6.870 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.942 7.388 8.318 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.291 4.915 6.588 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.831 5.859 6.803 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.860 3.786 8.578 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.894 6.726 8.420 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.924 6.288 9.830 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.600 3.240 10.392 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.321 4.329 10.938 1.00 0.00 H new ATOM 1417 N GLU A 88 -7.576 8.145 11.162 1.00 0.00 N ATOM 1418 CA GLU A 88 -6.723 8.966 12.004 1.00 0.00 C ATOM 1419 C GLU A 88 -5.610 8.115 12.603 1.00 0.00 C ATOM 1420 O GLU A 88 -5.614 6.892 12.464 1.00 0.00 O ATOM 1421 CB GLU A 88 -7.543 9.638 13.108 1.00 0.00 C ATOM 1422 CG GLU A 88 -8.522 10.684 12.591 1.00 0.00 C ATOM 1423 CD GLU A 88 -9.355 11.303 13.694 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -8.773 11.837 14.658 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -10.603 11.244 13.612 1.00 0.00 O ATOM 0 H GLU A 88 -8.012 7.359 11.643 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.274 9.749 11.392 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.096 8.874 13.654 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.863 10.109 13.818 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.969 11.469 12.075 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.183 10.225 11.856 1.00 0.00 H new ATOM 1432 N GLY A 89 -4.660 8.762 13.257 1.00 0.00 N ATOM 1433 CA GLY A 89 -3.546 8.046 13.838 1.00 0.00 C ATOM 1434 C GLY A 89 -2.289 8.205 13.011 1.00 0.00 C ATOM 1435 O GLY A 89 -2.079 9.250 12.396 1.00 0.00 O ATOM 0 H GLY A 89 -4.640 9.772 13.396 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.366 8.411 14.849 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.796 6.988 13.921 1.00 0.00 H new ATOM 1439 N ASP A 90 -1.455 7.176 12.983 1.00 0.00 N ATOM 1440 CA ASP A 90 -0.212 7.233 12.221 1.00 0.00 C ATOM 1441 C ASP A 90 -0.348 6.402 10.946 1.00 0.00 C ATOM 1442 O ASP A 90 -1.435 5.922 10.626 1.00 0.00 O ATOM 1443 CB ASP A 90 0.959 6.714 13.065 1.00 0.00 C ATOM 1444 CG ASP A 90 2.274 7.411 12.751 1.00 0.00 C ATOM 1445 OD1 ASP A 90 2.768 7.301 11.606 1.00 0.00 O ATOM 1446 OD2 ASP A 90 2.816 8.085 13.653 1.00 0.00 O ATOM 0 H ASP A 90 -1.613 6.296 13.475 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.012 8.270 11.953 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.726 6.849 14.121 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.073 5.643 12.898 1.00 0.00 H new ATOM 1451 N ASN A 91 0.754 6.231 10.236 1.00 0.00 N ATOM 1452 CA ASN A 91 0.790 5.467 8.994 1.00 0.00 C ATOM 1453 C ASN A 91 1.408 4.093 9.244 1.00 0.00 C ATOM 1454 O ASN A 91 2.624 3.971 9.286 1.00 0.00 O ATOM 1455 CB ASN A 91 1.577 6.192 7.893 1.00 0.00 C ATOM 1456 CG ASN A 91 1.430 5.509 6.535 1.00 0.00 C ATOM 1457 OD1 ASN A 91 1.096 4.331 6.454 1.00 0.00 O ATOM 1458 ND2 ASN A 91 1.703 6.230 5.460 1.00 0.00 N ATOM 0 H ASN A 91 1.658 6.620 10.505 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.239 5.356 8.651 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.230 7.223 7.819 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.631 6.230 8.167 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.638 5.809 4.533 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.978 7.207 5.558 1.00 0.00 H new ATOM 1465 N PRO A 92 0.590 3.058 9.493 1.00 0.00 N ATOM 1466 CA PRO A 92 1.079 1.690 9.751 1.00 0.00 C ATOM 1467 C PRO A 92 2.014 1.152 8.649 1.00 0.00 C ATOM 1468 O PRO A 92 2.655 0.113 8.824 1.00 0.00 O ATOM 1469 CB PRO A 92 -0.206 0.851 9.815 1.00 0.00 C ATOM 1470 CG PRO A 92 -1.263 1.704 9.205 1.00 0.00 C ATOM 1471 CD PRO A 92 -0.874 3.119 9.506 1.00 0.00 C ATOM 0 HA PRO A 92 1.681 1.656 10.659 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.092 -0.085 9.268 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.455 0.591 10.844 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.327 1.537 8.130 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.242 1.471 9.623 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.257 3.813 8.758 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.257 3.448 10.472 1.00 0.00 H new ATOM 1479 N ALA A 93 2.084 1.849 7.515 1.00 0.00 N ATOM 1480 CA ALA A 93 2.989 1.472 6.433 1.00 0.00 C ATOM 1481 C ALA A 93 4.370 2.089 6.638 1.00 0.00 C ATOM 1482 O ALA A 93 5.334 1.737 5.957 1.00 0.00 O ATOM 1483 CB ALA A 93 2.413 1.892 5.090 1.00 0.00 C ATOM 0 H ALA A 93 1.523 2.679 7.323 1.00 0.00 H new ATOM 0 HA ALA A 93 3.098 0.387 6.442 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.099 1.604 4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.452 1.401 4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.274 2.973 5.076 1.00 0.00 H new ATOM 1489 N ARG A 94 4.444 3.004 7.584 1.00 0.00 N ATOM 1490 CA ARG A 94 5.683 3.687 7.931 1.00 0.00 C ATOM 1491 C ARG A 94 6.511 2.802 8.850 1.00 0.00 C ATOM 1492 O ARG A 94 5.993 2.230 9.811 1.00 0.00 O ATOM 1493 CB ARG A 94 5.323 5.003 8.614 1.00 0.00 C ATOM 1494 CG ARG A 94 6.471 5.906 9.023 1.00 0.00 C ATOM 1495 CD ARG A 94 5.913 7.112 9.766 1.00 0.00 C ATOM 1496 NE ARG A 94 6.923 8.106 10.117 1.00 0.00 N ATOM 1497 CZ ARG A 94 6.733 9.041 11.051 1.00 0.00 C ATOM 1498 NH1 ARG A 94 5.593 9.077 11.736 1.00 0.00 N ATOM 1499 NH2 ARG A 94 7.671 9.944 11.293 1.00 0.00 N ATOM 0 H ARG A 94 3.642 3.300 8.140 1.00 0.00 H new ATOM 0 HA ARG A 94 6.276 3.893 7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 94 4.673 5.565 7.944 1.00 0.00 H new ATOM 0 HB3 ARG A 94 4.739 4.773 9.505 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.169 5.362 9.659 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.027 6.230 8.143 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.149 7.586 9.149 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.421 6.770 10.677 1.00 0.00 H new ATOM 0 HE ARG A 94 7.816 8.085 9.625 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.863 8.390 11.548 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.449 9.792 12.449 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.543 9.927 10.765 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.521 10.656 12.008 1.00 0.00 H new ATOM 1513 N TRP A 95 7.788 2.688 8.549 1.00 0.00 N ATOM 1514 CA TRP A 95 8.663 1.787 9.290 1.00 0.00 C ATOM 1515 C TRP A 95 9.928 2.485 9.758 1.00 0.00 C ATOM 1516 O TRP A 95 10.355 2.291 10.898 1.00 0.00 O ATOM 1517 CB TRP A 95 9.045 0.574 8.438 1.00 0.00 C ATOM 1518 CG TRP A 95 8.409 -0.706 8.897 1.00 0.00 C ATOM 1519 CD1 TRP A 95 8.434 -1.230 10.161 1.00 0.00 C ATOM 1520 CD2 TRP A 95 7.671 -1.632 8.093 1.00 0.00 C ATOM 1521 NE1 TRP A 95 7.746 -2.419 10.191 1.00 0.00 N ATOM 1522 CE2 TRP A 95 7.271 -2.688 8.934 1.00 0.00 C ATOM 1523 CE3 TRP A 95 7.307 -1.670 6.745 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 6.525 -3.767 8.467 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 6.568 -2.742 6.286 1.00 0.00 C ATOM 1526 CH2 TRP A 95 6.182 -3.777 7.144 1.00 0.00 C ATOM 0 H TRP A 95 8.248 3.204 7.799 1.00 0.00 H new ATOM 0 HA TRP A 95 8.104 1.457 10.166 1.00 0.00 H new ATOM 0 HB2 TRP A 95 8.758 0.762 7.403 1.00 0.00 H new ATOM 0 HB3 TRP A 95 10.129 0.457 8.452 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.923 -0.776 11.010 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.611 -3.006 11.014 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.598 -0.875 6.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.228 -4.568 9.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.283 -2.782 5.245 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.602 -4.600 6.754 1.00 0.00 H new ATOM 1537 N ARG A 96 10.502 3.319 8.882 1.00 0.00 N ATOM 1538 CA ARG A 96 11.812 3.931 9.070 1.00 0.00 C ATOM 1539 C ARG A 96 12.951 2.909 9.244 1.00 0.00 C ATOM 1540 O ARG A 96 14.089 3.177 8.864 1.00 0.00 O ATOM 1541 CB ARG A 96 11.762 4.888 10.246 1.00 0.00 C ATOM 1542 CG ARG A 96 10.729 5.995 10.091 1.00 0.00 C ATOM 1543 CD ARG A 96 10.657 6.870 11.332 1.00 0.00 C ATOM 1544 NE ARG A 96 10.069 6.168 12.473 1.00 0.00 N ATOM 1545 CZ ARG A 96 10.686 5.993 13.641 1.00 0.00 C ATOM 1546 NH1 ARG A 96 11.939 6.404 13.803 1.00 0.00 N ATOM 1547 NH2 ARG A 96 10.047 5.399 14.643 1.00 0.00 N ATOM 0 H ARG A 96 10.055 3.589 8.006 1.00 0.00 H new ATOM 0 HA ARG A 96 12.043 4.476 8.155 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.544 4.324 11.153 1.00 0.00 H new ATOM 0 HB3 ARG A 96 12.746 5.338 10.379 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.980 6.609 9.226 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.750 5.556 9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.659 7.208 11.594 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.067 7.760 11.113 1.00 0.00 H new ATOM 0 HE ARG A 96 9.128 5.789 12.368 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.432 6.855 13.032 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.408 6.269 14.698 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.087 5.078 14.517 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.517 5.264 15.538 1.00 0.00 H new ATOM 1561 N GLY A 97 12.644 1.754 9.798 1.00 0.00 N ATOM 1562 CA GLY A 97 13.619 0.698 9.937 1.00 0.00 C ATOM 1563 C GLY A 97 12.986 -0.653 9.696 1.00 0.00 C ATOM 1564 O GLY A 97 12.505 -1.292 10.629 1.00 0.00 O ATOM 0 H GLY A 97 11.719 1.524 10.161 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.434 0.854 9.230 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.054 0.728 10.936 1.00 0.00 H new ATOM 1568 N TYR A 98 12.957 -1.071 8.438 1.00 0.00 N ATOM 1569 CA TYR A 98 12.321 -2.325 8.059 1.00 0.00 C ATOM 1570 C TYR A 98 13.214 -3.524 8.389 1.00 0.00 C ATOM 1571 O TYR A 98 14.263 -3.363 9.009 1.00 0.00 O ATOM 1572 CB TYR A 98 11.945 -2.303 6.569 1.00 0.00 C ATOM 1573 CG TYR A 98 13.108 -2.160 5.604 1.00 0.00 C ATOM 1574 CD1 TYR A 98 13.899 -1.018 5.583 1.00 0.00 C ATOM 1575 CD2 TYR A 98 13.388 -3.164 4.687 1.00 0.00 C ATOM 1576 CE1 TYR A 98 14.939 -0.883 4.684 1.00 0.00 C ATOM 1577 CE2 TYR A 98 14.428 -3.040 3.785 1.00 0.00 C ATOM 1578 CZ TYR A 98 15.201 -1.895 3.787 1.00 0.00 C ATOM 1579 OH TYR A 98 16.240 -1.761 2.891 1.00 0.00 O ATOM 0 H TYR A 98 13.369 -0.557 7.659 1.00 0.00 H new ATOM 0 HA TYR A 98 11.406 -2.434 8.642 1.00 0.00 H new ATOM 0 HB2 TYR A 98 11.411 -3.223 6.333 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.251 -1.480 6.399 1.00 0.00 H new ATOM 0 HD1 TYR A 98 13.697 -0.221 6.283 1.00 0.00 H new ATOM 0 HD2 TYR A 98 12.782 -4.058 4.678 1.00 0.00 H new ATOM 0 HE1 TYR A 98 15.544 0.012 4.684 1.00 0.00 H new ATOM 0 HE2 TYR A 98 14.635 -3.834 3.083 1.00 0.00 H new ATOM 0 HH TYR A 98 16.525 -0.824 2.858 1.00 0.00 H new ATOM 1589 N LEU A 99 12.779 -4.713 7.954 1.00 0.00 N ATOM 1590 CA LEU A 99 13.413 -5.992 8.310 1.00 0.00 C ATOM 1591 C LEU A 99 14.939 -5.931 8.259 1.00 0.00 C ATOM 1592 O LEU A 99 15.607 -6.050 9.287 1.00 0.00 O ATOM 1593 CB LEU A 99 12.917 -7.092 7.367 1.00 0.00 C ATOM 1594 CG LEU A 99 11.401 -7.296 7.340 1.00 0.00 C ATOM 1595 CD1 LEU A 99 11.024 -8.350 6.311 1.00 0.00 C ATOM 1596 CD2 LEU A 99 10.885 -7.688 8.717 1.00 0.00 C ATOM 0 H LEU A 99 11.971 -4.817 7.340 1.00 0.00 H new ATOM 0 HA LEU A 99 13.131 -6.213 9.340 1.00 0.00 H new ATOM 0 HB2 LEU A 99 13.254 -6.861 6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 99 13.388 -8.032 7.653 1.00 0.00 H new ATOM 0 HG LEU A 99 10.935 -6.352 7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.942 -8.482 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.356 -8.029 5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 99 11.504 -9.295 6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 99 9.805 -7.828 8.675 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.359 -8.617 9.032 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.121 -6.900 9.432 1.00 0.00 H new ATOM 1608 N GLU A 100 15.486 -5.758 7.067 1.00 0.00 N ATOM 1609 CA GLU A 100 16.929 -5.674 6.902 1.00 0.00 C ATOM 1610 C GLU A 100 17.265 -4.733 5.758 1.00 0.00 C ATOM 1611 O GLU A 100 16.729 -4.867 4.659 1.00 0.00 O ATOM 1612 CB GLU A 100 17.520 -7.064 6.651 1.00 0.00 C ATOM 1613 CG GLU A 100 19.038 -7.080 6.598 1.00 0.00 C ATOM 1614 CD GLU A 100 19.602 -8.480 6.543 1.00 0.00 C ATOM 1615 OE1 GLU A 100 19.681 -9.132 7.605 1.00 0.00 O ATOM 1616 OE2 GLU A 100 19.972 -8.936 5.441 1.00 0.00 O ATOM 0 H GLU A 100 14.955 -5.673 6.201 1.00 0.00 H new ATOM 0 HA GLU A 100 17.368 -5.279 7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 100 17.185 -7.739 7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 100 17.128 -7.452 5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 100 19.373 -6.522 5.723 1.00 0.00 H new ATOM 0 HG3 GLU A 100 19.434 -6.567 7.474 1.00 0.00 H new ATOM 1623 N HIS A 101 18.152 -3.784 6.019 1.00 0.00 N ATOM 1624 CA HIS A 101 18.475 -2.751 5.043 1.00 0.00 C ATOM 1625 C HIS A 101 19.285 -3.329 3.885 1.00 0.00 C ATOM 1626 O HIS A 101 20.423 -3.758 4.063 1.00 0.00 O ATOM 1627 CB HIS A 101 19.245 -1.607 5.711 1.00 0.00 C ATOM 1628 CG HIS A 101 19.497 -0.439 4.803 1.00 0.00 C ATOM 1629 ND1 HIS A 101 20.758 -0.058 4.400 1.00 0.00 N ATOM 1630 CD2 HIS A 101 18.640 0.437 4.223 1.00 0.00 C ATOM 1631 CE1 HIS A 101 20.667 0.997 3.613 1.00 0.00 C ATOM 1632 NE2 HIS A 101 19.394 1.317 3.489 1.00 0.00 N ATOM 0 H HIS A 101 18.662 -3.707 6.899 1.00 0.00 H new ATOM 0 HA HIS A 101 17.540 -2.358 4.643 1.00 0.00 H new ATOM 0 HB2 HIS A 101 18.686 -1.265 6.582 1.00 0.00 H new ATOM 0 HB3 HIS A 101 20.200 -1.987 6.074 1.00 0.00 H new ATOM 0 HD2 HIS A 101 17.564 0.441 4.321 1.00 0.00 H new ATOM 0 HE1 HIS A 101 21.495 1.512 3.149 1.00 0.00 H new ATOM 0 HE2 HIS A 101 19.029 2.093 2.937 1.00 0.00 H new ATOM 1641 N HIS A 102 18.681 -3.345 2.706 1.00 0.00 N ATOM 1642 CA HIS A 102 19.337 -3.838 1.501 1.00 0.00 C ATOM 1643 C HIS A 102 19.367 -2.744 0.446 1.00 0.00 C ATOM 1644 O HIS A 102 18.420 -1.964 0.332 1.00 0.00 O ATOM 1645 CB HIS A 102 18.614 -5.076 0.954 1.00 0.00 C ATOM 1646 CG HIS A 102 18.949 -6.347 1.675 1.00 0.00 C ATOM 1647 ND1 HIS A 102 19.397 -7.476 1.030 1.00 0.00 N ATOM 1648 CD2 HIS A 102 18.893 -6.668 2.988 1.00 0.00 C ATOM 1649 CE1 HIS A 102 19.599 -8.436 1.911 1.00 0.00 C ATOM 1650 NE2 HIS A 102 19.302 -7.972 3.109 1.00 0.00 N ATOM 0 H HIS A 102 17.726 -3.018 2.556 1.00 0.00 H new ATOM 0 HA HIS A 102 20.358 -4.122 1.755 1.00 0.00 H new ATOM 0 HB2 HIS A 102 17.538 -4.911 1.012 1.00 0.00 H new ATOM 0 HB3 HIS A 102 18.863 -5.193 -0.101 1.00 0.00 H new ATOM 0 HD2 HIS A 102 18.583 -6.018 3.793 1.00 0.00 H new ATOM 0 HE1 HIS A 102 19.949 -9.433 1.689 1.00 0.00 H new ATOM 0 HE2 HIS A 102 19.366 -8.496 3.982 1.00 0.00 H new ATOM 1659 N HIS A 103 20.452 -2.680 -0.315 1.00 0.00 N ATOM 1660 CA HIS A 103 20.620 -1.636 -1.321 1.00 0.00 C ATOM 1661 C HIS A 103 21.810 -1.951 -2.222 1.00 0.00 C ATOM 1662 O HIS A 103 22.948 -2.024 -1.758 1.00 0.00 O ATOM 1663 CB HIS A 103 20.819 -0.276 -0.640 1.00 0.00 C ATOM 1664 CG HIS A 103 20.792 0.892 -1.579 1.00 0.00 C ATOM 1665 ND1 HIS A 103 21.865 1.735 -1.764 1.00 0.00 N ATOM 1666 CD2 HIS A 103 19.800 1.373 -2.364 1.00 0.00 C ATOM 1667 CE1 HIS A 103 21.534 2.684 -2.619 1.00 0.00 C ATOM 1668 NE2 HIS A 103 20.283 2.489 -3.000 1.00 0.00 N ATOM 0 H HIS A 103 21.229 -3.338 -0.256 1.00 0.00 H new ATOM 0 HA HIS A 103 19.720 -1.596 -1.935 1.00 0.00 H new ATOM 0 HB2 HIS A 103 20.041 -0.141 0.112 1.00 0.00 H new ATOM 0 HB3 HIS A 103 21.773 -0.282 -0.113 1.00 0.00 H new ATOM 0 HD2 HIS A 103 18.810 0.955 -2.470 1.00 0.00 H new ATOM 0 HE1 HIS A 103 22.177 3.485 -2.952 1.00 0.00 H new ATOM 0 HE2 HIS A 103 19.764 3.071 -3.657 1.00 0.00 H new ATOM 1677 N HIS A 104 21.545 -2.148 -3.506 1.00 0.00 N ATOM 1678 CA HIS A 104 22.612 -2.413 -4.466 1.00 0.00 C ATOM 1679 C HIS A 104 22.624 -1.332 -5.541 1.00 0.00 C ATOM 1680 O HIS A 104 21.587 -0.741 -5.840 1.00 0.00 O ATOM 1681 CB HIS A 104 22.467 -3.811 -5.096 1.00 0.00 C ATOM 1682 CG HIS A 104 21.330 -3.965 -6.064 1.00 0.00 C ATOM 1683 ND1 HIS A 104 20.090 -4.442 -5.702 1.00 0.00 N ATOM 1684 CD2 HIS A 104 21.261 -3.725 -7.396 1.00 0.00 C ATOM 1685 CE1 HIS A 104 19.311 -4.488 -6.765 1.00 0.00 C ATOM 1686 NE2 HIS A 104 19.996 -4.059 -7.806 1.00 0.00 N ATOM 0 H HIS A 104 20.607 -2.130 -3.907 1.00 0.00 H new ATOM 0 HA HIS A 104 23.564 -2.393 -3.935 1.00 0.00 H new ATOM 0 HB2 HIS A 104 23.396 -4.058 -5.610 1.00 0.00 H new ATOM 0 HB3 HIS A 104 22.342 -4.541 -4.296 1.00 0.00 H new ATOM 0 HD2 HIS A 104 22.055 -3.342 -8.019 1.00 0.00 H new ATOM 0 HE1 HIS A 104 18.284 -4.821 -6.780 1.00 0.00 H new ATOM 0 HE2 HIS A 104 19.643 -3.987 -8.760 1.00 0.00 H new ATOM 1695 N HIS A 105 23.791 -1.073 -6.111 1.00 0.00 N ATOM 1696 CA HIS A 105 23.937 -0.053 -7.143 1.00 0.00 C ATOM 1697 C HIS A 105 25.255 -0.256 -7.878 1.00 0.00 C ATOM 1698 O HIS A 105 26.316 -0.296 -7.253 1.00 0.00 O ATOM 1699 CB HIS A 105 23.901 1.348 -6.518 1.00 0.00 C ATOM 1700 CG HIS A 105 23.689 2.454 -7.508 1.00 0.00 C ATOM 1701 ND1 HIS A 105 24.698 2.996 -8.280 1.00 0.00 N ATOM 1702 CD2 HIS A 105 22.565 3.126 -7.841 1.00 0.00 C ATOM 1703 CE1 HIS A 105 24.198 3.953 -9.042 1.00 0.00 C ATOM 1704 NE2 HIS A 105 22.907 4.047 -8.794 1.00 0.00 N ATOM 0 H HIS A 105 24.657 -1.558 -5.876 1.00 0.00 H new ATOM 0 HA HIS A 105 23.110 -0.142 -7.848 1.00 0.00 H new ATOM 0 HB2 HIS A 105 23.104 1.382 -5.775 1.00 0.00 H new ATOM 0 HB3 HIS A 105 24.838 1.523 -5.989 1.00 0.00 H new ATOM 0 HD2 HIS A 105 21.579 2.966 -7.431 1.00 0.00 H new ATOM 0 HE1 HIS A 105 24.752 4.555 -9.747 1.00 0.00 H new ATOM 0 HE2 HIS A 105 22.265 4.702 -9.241 1.00 0.00 H new ATOM 1713 N HIS A 106 25.194 -0.385 -9.191 1.00 0.00 N ATOM 1714 CA HIS A 106 26.394 -0.620 -9.979 1.00 0.00 C ATOM 1715 C HIS A 106 26.181 -0.153 -11.413 1.00 0.00 C ATOM 1716 O HIS A 106 26.534 1.002 -11.722 1.00 0.00 O ATOM 1717 CB HIS A 106 26.771 -2.109 -9.944 1.00 0.00 C ATOM 1718 CG HIS A 106 28.105 -2.405 -10.557 1.00 0.00 C ATOM 1719 ND1 HIS A 106 29.243 -2.626 -9.812 1.00 0.00 N ATOM 1720 CD2 HIS A 106 28.479 -2.517 -11.851 1.00 0.00 C ATOM 1721 CE1 HIS A 106 30.256 -2.857 -10.623 1.00 0.00 C ATOM 1722 NE2 HIS A 106 29.821 -2.798 -11.865 1.00 0.00 N ATOM 1723 OXT HIS A 106 25.644 -0.935 -12.219 1.00 0.00 O ATOM 0 H HIS A 106 24.332 -0.332 -9.734 1.00 0.00 H new ATOM 0 HA HIS A 106 27.216 -0.048 -9.548 1.00 0.00 H new ATOM 0 HB2 HIS A 106 26.773 -2.450 -8.909 1.00 0.00 H new ATOM 0 HB3 HIS A 106 26.005 -2.681 -10.467 1.00 0.00 H new ATOM 0 HD2 HIS A 106 27.839 -2.406 -12.714 1.00 0.00 H new ATOM 0 HE1 HIS A 106 31.272 -3.061 -10.320 1.00 0.00 H new ATOM 0 HE2 HIS A 106 30.389 -2.938 -12.700 1.00 0.00 H new TER 1732 HIS A 106