USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 755 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 84 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 86 SER OG : rot 52:sc= 0.75 USER MOD Set 2.1: A 41 SER OG : rot 80:sc= 0.0373 USER MOD Set 2.2: A 62 SER OG : rot 144:sc= 0.248 USER MOD Set 2.3: A 67 ASN : amide:sc= 1.13 K(o=2.6,f=-3.4) USER MOD Set 2.4: A 70 LYS NZ :NH3+ 174:sc= 1.14 (180deg=0) USER MOD Set 3.1: A 32 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.19) USER MOD Set 3.2: A 34 HIS : no HD1:sc= 0 X(o=-0.18,f=-0.18) USER MOD Single : A 1 MET CE :methyl -133:sc= -0.493 (180deg=-2.52!) USER MOD Single : A 1 MET N :NH3+ -148:sc= 1.28 (180deg=0.982) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.448) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -179:sc= 1.16 (180deg=1.12) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 177:sc= 0.184 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -105:sc= -2.18! USER MOD Single : A 39 HIS : no HD1:sc= -0.0745 X(o=-0.075,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 1.19 (180deg=1.16) USER MOD Single : A 78 LYS NZ :NH3+ 162:sc= -0.0782 (180deg=-0.405) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -170:sc= -0.0037 (180deg=-0.127) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.224 -1.404 -0.416 1.00 4.33 N1+ ATOM 2 CA MET A 1 0.855 -1.632 0.570 1.00 25.33 C ATOM 3 C MET A 1 1.626 -2.890 0.208 1.00 64.11 C ATOM 4 O MET A 1 1.535 -3.374 -0.924 1.00 72.45 O ATOM 5 CB MET A 1 0.268 -1.769 1.979 1.00 21.25 C ATOM 6 CG MET A 1 -0.414 -0.510 2.488 1.00 43.53 C ATOM 7 SD MET A 1 -1.116 -0.720 4.139 1.00 73.21 S ATOM 8 CE MET A 1 -2.338 -1.993 3.827 1.00 23.00 C ATOM 0 H1 MET A 1 -0.382 -0.382 -0.528 1.00 4.33 H new ATOM 0 H2 MET A 1 0.050 -1.814 -1.332 1.00 4.33 H new ATOM 0 H3 MET A 1 -1.100 -1.855 -0.083 1.00 4.33 H new ATOM 0 HA MET A 1 1.532 -0.778 0.554 1.00 25.33 H new ATOM 0 HB2 MET A 1 -0.452 -2.587 1.984 1.00 21.25 H new ATOM 0 HB3 MET A 1 1.066 -2.042 2.669 1.00 21.25 H new ATOM 0 HG2 MET A 1 0.307 0.308 2.505 1.00 43.53 H new ATOM 0 HG3 MET A 1 -1.205 -0.224 1.795 1.00 43.53 H new ATOM 0 HE1 MET A 1 -3.284 -1.710 4.289 1.00 23.00 H new ATOM 0 HE2 MET A 1 -2.478 -2.107 2.752 1.00 23.00 H new ATOM 0 HE3 MET A 1 -1.996 -2.937 4.250 1.00 23.00 H new ATOM 20 N VAL A 2 2.392 -3.414 1.160 1.00 62.34 N ATOM 21 CA VAL A 2 3.152 -4.632 0.931 1.00 53.42 C ATOM 22 C VAL A 2 2.198 -5.807 0.774 1.00 74.33 C ATOM 23 O VAL A 2 2.378 -6.655 -0.108 1.00 35.24 O ATOM 24 CB VAL A 2 4.144 -4.922 2.079 1.00 44.51 C ATOM 25 CG1 VAL A 2 4.957 -6.178 1.788 1.00 23.54 C ATOM 26 CG2 VAL A 2 5.066 -3.732 2.312 1.00 13.42 C ATOM 0 H VAL A 2 2.501 -3.014 2.092 1.00 62.34 H new ATOM 0 HA VAL A 2 3.732 -4.492 0.019 1.00 53.42 H new ATOM 0 HB VAL A 2 3.566 -5.091 2.988 1.00 44.51 H new ATOM 0 HG11 VAL A 2 5.649 -6.362 2.610 1.00 23.54 H new ATOM 0 HG12 VAL A 2 4.285 -7.030 1.681 1.00 23.54 H new ATOM 0 HG13 VAL A 2 5.519 -6.041 0.864 1.00 23.54 H new ATOM 0 HG21 VAL A 2 5.756 -3.960 3.125 1.00 13.42 H new ATOM 0 HG22 VAL A 2 5.632 -3.527 1.403 1.00 13.42 H new ATOM 0 HG23 VAL A 2 4.471 -2.857 2.575 1.00 13.42 H new ATOM 36 N LYS A 3 1.161 -5.837 1.611 1.00 34.31 N ATOM 37 CA LYS A 3 0.148 -6.879 1.510 1.00 21.23 C ATOM 38 C LYS A 3 -0.854 -6.488 0.426 1.00 42.31 C ATOM 39 O LYS A 3 -2.044 -6.322 0.690 1.00 74.15 O ATOM 40 CB LYS A 3 -0.592 -7.052 2.846 1.00 41.10 C ATOM 41 CG LYS A 3 0.224 -6.701 4.083 1.00 5.04 C ATOM 42 CD LYS A 3 1.381 -7.661 4.317 1.00 73.11 C ATOM 43 CE LYS A 3 2.122 -7.311 5.598 1.00 22.24 C ATOM 44 NZ LYS A 3 3.232 -8.256 5.887 1.00 64.24 N1+ ATOM 0 H LYS A 3 1.004 -5.159 2.357 1.00 34.31 H new ATOM 0 HA LYS A 3 0.634 -7.822 1.259 1.00 21.23 H new ATOM 0 HB2 LYS A 3 -1.487 -6.431 2.831 1.00 41.10 H new ATOM 0 HB3 LYS A 3 -0.923 -8.087 2.929 1.00 41.10 H new ATOM 0 HG2 LYS A 3 0.613 -5.688 3.981 1.00 5.04 H new ATOM 0 HG3 LYS A 3 -0.428 -6.705 4.956 1.00 5.04 H new ATOM 0 HD2 LYS A 3 1.006 -8.683 4.376 1.00 73.11 H new ATOM 0 HD3 LYS A 3 2.068 -7.622 3.472 1.00 73.11 H new ATOM 0 HE2 LYS A 3 2.521 -6.300 5.519 1.00 22.24 H new ATOM 0 HE3 LYS A 3 1.421 -7.313 6.432 1.00 22.24 H new ATOM 0 HZ1 LYS A 3 3.706 -7.975 6.769 1.00 64.24 H new ATOM 0 HZ2 LYS A 3 2.851 -9.218 5.990 1.00 64.24 H new ATOM 0 HZ3 LYS A 3 3.917 -8.237 5.105 1.00 64.24 H new ATOM 58 N ASP A 4 -0.345 -6.414 -0.798 1.00 12.24 N ATOM 59 CA ASP A 4 -1.099 -6.006 -1.987 1.00 53.10 C ATOM 60 C ASP A 4 -0.228 -6.302 -3.195 1.00 0.25 C ATOM 61 O ASP A 4 -0.577 -7.102 -4.064 1.00 34.43 O ATOM 62 CB ASP A 4 -1.429 -4.495 -2.007 1.00 60.43 C ATOM 63 CG ASP A 4 -2.454 -4.039 -0.982 1.00 64.14 C ATOM 64 OD1 ASP A 4 -3.642 -4.422 -1.098 1.00 11.20 O ATOM 65 OD2 ASP A 4 -2.069 -3.264 -0.072 1.00 44.31 O ATOM 0 H ASP A 4 0.628 -6.641 -1.001 1.00 12.24 H new ATOM 0 HA ASP A 4 -2.044 -6.550 -1.990 1.00 53.10 H new ATOM 0 HB2 ASP A 4 -0.507 -3.937 -1.847 1.00 60.43 H new ATOM 0 HB3 ASP A 4 -1.792 -4.233 -3.001 1.00 60.43 H new ATOM 70 N GLU A 5 0.933 -5.647 -3.202 1.00 43.43 N ATOM 71 CA GLU A 5 1.939 -5.800 -4.248 1.00 34.53 C ATOM 72 C GLU A 5 2.395 -7.247 -4.379 1.00 41.40 C ATOM 73 O GLU A 5 2.274 -7.857 -5.440 1.00 12.41 O ATOM 74 CB GLU A 5 3.147 -4.919 -3.923 1.00 41.21 C ATOM 75 CG GLU A 5 3.031 -3.494 -4.428 1.00 44.43 C ATOM 76 CD GLU A 5 3.250 -3.406 -5.922 1.00 64.50 C ATOM 77 OE1 GLU A 5 2.366 -2.885 -6.633 1.00 2.20 O ATOM 78 OE2 GLU A 5 4.305 -3.874 -6.395 1.00 22.03 O ATOM 0 H GLU A 5 1.203 -4.988 -2.472 1.00 43.43 H new ATOM 0 HA GLU A 5 1.491 -5.497 -5.194 1.00 34.53 H new ATOM 0 HB2 GLU A 5 3.288 -4.899 -2.842 1.00 41.21 H new ATOM 0 HB3 GLU A 5 4.040 -5.373 -4.353 1.00 41.21 H new ATOM 0 HG2 GLU A 5 2.045 -3.101 -4.182 1.00 44.43 H new ATOM 0 HG3 GLU A 5 3.761 -2.867 -3.916 1.00 44.43 H new ATOM 85 N LYS A 6 2.902 -7.798 -3.288 1.00 42.41 N ATOM 86 CA LYS A 6 3.470 -9.140 -3.302 1.00 21.35 C ATOM 87 C LYS A 6 2.389 -10.183 -3.049 1.00 72.41 C ATOM 88 O LYS A 6 2.650 -11.257 -2.511 1.00 25.44 O ATOM 89 CB LYS A 6 4.605 -9.261 -2.272 1.00 54.02 C ATOM 90 CG LYS A 6 5.916 -8.620 -2.724 1.00 63.43 C ATOM 91 CD LYS A 6 5.775 -7.119 -2.933 1.00 62.53 C ATOM 92 CE LYS A 6 6.964 -6.533 -3.680 1.00 40.04 C ATOM 93 NZ LYS A 6 6.762 -5.092 -3.995 1.00 24.31 N1+ ATOM 0 H LYS A 6 2.933 -7.337 -2.379 1.00 42.41 H new ATOM 0 HA LYS A 6 3.892 -9.324 -4.290 1.00 21.35 H new ATOM 0 HB2 LYS A 6 4.287 -8.797 -1.338 1.00 54.02 H new ATOM 0 HB3 LYS A 6 4.781 -10.316 -2.060 1.00 54.02 H new ATOM 0 HG2 LYS A 6 6.689 -8.811 -1.979 1.00 63.43 H new ATOM 0 HG3 LYS A 6 6.246 -9.086 -3.653 1.00 63.43 H new ATOM 0 HD2 LYS A 6 4.861 -6.915 -3.490 1.00 62.53 H new ATOM 0 HD3 LYS A 6 5.676 -6.626 -1.966 1.00 62.53 H new ATOM 0 HE2 LYS A 6 7.865 -6.651 -3.079 1.00 40.04 H new ATOM 0 HE3 LYS A 6 7.123 -7.089 -4.604 1.00 40.04 H new ATOM 0 HZ1 LYS A 6 7.678 -4.654 -4.219 1.00 24.31 H new ATOM 0 HZ2 LYS A 6 6.126 -5.001 -4.813 1.00 24.31 H new ATOM 0 HZ3 LYS A 6 6.341 -4.613 -3.174 1.00 24.31 H new ATOM 107 N SER A 7 1.170 -9.852 -3.452 1.00 54.24 N ATOM 108 CA SER A 7 0.044 -10.761 -3.343 1.00 10.43 C ATOM 109 C SER A 7 -0.849 -10.641 -4.580 1.00 71.10 C ATOM 110 O SER A 7 -2.031 -10.976 -4.541 1.00 4.34 O ATOM 111 CB SER A 7 -0.751 -10.451 -2.071 1.00 13.41 C ATOM 112 OG SER A 7 0.085 -10.496 -0.925 1.00 72.41 O ATOM 0 H SER A 7 0.937 -8.948 -3.862 1.00 54.24 H new ATOM 0 HA SER A 7 0.413 -11.785 -3.283 1.00 10.43 H new ATOM 0 HB2 SER A 7 -1.207 -9.465 -2.154 1.00 13.41 H new ATOM 0 HB3 SER A 7 -1.563 -11.169 -1.961 1.00 13.41 H new ATOM 0 HG SER A 7 -0.445 -10.293 -0.126 1.00 72.41 H new ATOM 118 N LYS A 8 -0.269 -10.160 -5.683 1.00 73.55 N ATOM 119 CA LYS A 8 -1.008 -10.014 -6.937 1.00 64.34 C ATOM 120 C LYS A 8 -1.282 -11.377 -7.564 1.00 61.35 C ATOM 121 O LYS A 8 -2.342 -11.601 -8.145 1.00 51.24 O ATOM 122 CB LYS A 8 -0.235 -9.131 -7.920 1.00 25.44 C ATOM 123 CG LYS A 8 -0.110 -7.688 -7.462 1.00 31.34 C ATOM 124 CD LYS A 8 0.790 -6.877 -8.378 1.00 12.41 C ATOM 125 CE LYS A 8 0.996 -5.476 -7.830 1.00 14.11 C ATOM 126 NZ LYS A 8 2.018 -4.710 -8.591 1.00 72.33 N1+ ATOM 0 H LYS A 8 0.707 -9.866 -5.732 1.00 73.55 H new ATOM 0 HA LYS A 8 -1.961 -9.536 -6.712 1.00 64.34 H new ATOM 0 HB2 LYS A 8 0.762 -9.547 -8.064 1.00 25.44 H new ATOM 0 HB3 LYS A 8 -0.734 -9.155 -8.889 1.00 25.44 H new ATOM 0 HG2 LYS A 8 -1.099 -7.231 -7.428 1.00 31.34 H new ATOM 0 HG3 LYS A 8 0.288 -7.663 -6.447 1.00 31.34 H new ATOM 0 HD2 LYS A 8 1.753 -7.376 -8.484 1.00 12.41 H new ATOM 0 HD3 LYS A 8 0.349 -6.822 -9.373 1.00 12.41 H new ATOM 0 HE2 LYS A 8 0.049 -4.937 -7.856 1.00 14.11 H new ATOM 0 HE3 LYS A 8 1.298 -5.539 -6.785 1.00 14.11 H new ATOM 0 HZ1 LYS A 8 2.133 -3.768 -8.166 1.00 72.33 H new ATOM 0 HZ2 LYS A 8 2.926 -5.217 -8.560 1.00 72.33 H new ATOM 0 HZ3 LYS A 8 1.711 -4.609 -9.580 1.00 72.33 H new ATOM 140 N THR A 9 -0.323 -12.282 -7.445 1.00 43.31 N ATOM 141 CA THR A 9 -0.502 -13.642 -7.921 1.00 4.31 C ATOM 142 C THR A 9 -0.918 -14.541 -6.765 1.00 75.54 C ATOM 143 O THR A 9 -0.097 -14.912 -5.927 1.00 23.13 O ATOM 144 CB THR A 9 0.785 -14.183 -8.572 1.00 12.55 C ATOM 145 OG1 THR A 9 1.225 -13.274 -9.589 1.00 25.24 O ATOM 146 CG2 THR A 9 0.554 -15.562 -9.178 1.00 63.30 C ATOM 0 H THR A 9 0.587 -12.098 -7.023 1.00 43.31 H new ATOM 0 HA THR A 9 -1.285 -13.636 -8.680 1.00 4.31 H new ATOM 0 HB THR A 9 1.551 -14.274 -7.801 1.00 12.55 H new ATOM 0 HG1 THR A 9 2.045 -13.617 -10.002 1.00 25.24 H new ATOM 0 HG21 THR A 9 1.479 -15.920 -9.631 1.00 63.30 H new ATOM 0 HG22 THR A 9 0.240 -16.255 -8.397 1.00 63.30 H new ATOM 0 HG23 THR A 9 -0.223 -15.499 -9.940 1.00 63.30 H new ATOM 154 N LEU A 10 -2.201 -14.852 -6.704 1.00 20.55 N ATOM 155 CA LEU A 10 -2.745 -15.647 -5.617 1.00 31.53 C ATOM 156 C LEU A 10 -3.952 -16.437 -6.104 1.00 14.03 C ATOM 157 O LEU A 10 -4.312 -16.355 -7.281 1.00 32.21 O ATOM 158 CB LEU A 10 -3.117 -14.746 -4.424 1.00 40.40 C ATOM 159 CG LEU A 10 -4.381 -13.875 -4.562 1.00 3.53 C ATOM 160 CD1 LEU A 10 -4.550 -13.017 -3.320 1.00 14.24 C ATOM 161 CD2 LEU A 10 -4.334 -12.988 -5.800 1.00 33.31 C ATOM 0 H LEU A 10 -2.889 -14.564 -7.399 1.00 20.55 H new ATOM 0 HA LEU A 10 -1.986 -16.353 -5.279 1.00 31.53 H new ATOM 0 HB2 LEU A 10 -3.240 -15.381 -3.547 1.00 40.40 H new ATOM 0 HB3 LEU A 10 -2.273 -14.086 -4.224 1.00 40.40 H new ATOM 0 HG LEU A 10 -5.233 -14.546 -4.671 1.00 3.53 H new ATOM 0 HD11 LEU A 10 -5.445 -12.403 -3.421 1.00 14.24 H new ATOM 0 HD12 LEU A 10 -4.648 -13.659 -2.445 1.00 14.24 H new ATOM 0 HD13 LEU A 10 -3.679 -12.373 -3.202 1.00 14.24 H new ATOM 0 HD21 LEU A 10 -5.245 -12.392 -5.856 1.00 33.31 H new ATOM 0 HD22 LEU A 10 -3.471 -12.325 -5.740 1.00 33.31 H new ATOM 0 HD23 LEU A 10 -4.253 -13.611 -6.691 1.00 33.31 H new ATOM 173 N PHE A 11 -4.577 -17.198 -5.215 1.00 0.31 N ATOM 174 CA PHE A 11 -5.717 -18.009 -5.602 1.00 75.33 C ATOM 175 C PHE A 11 -7.010 -17.293 -5.234 1.00 2.51 C ATOM 176 O PHE A 11 -7.218 -16.912 -4.083 1.00 14.31 O ATOM 177 CB PHE A 11 -5.649 -19.385 -4.933 1.00 73.43 C ATOM 178 CG PHE A 11 -6.584 -20.402 -5.533 1.00 63.24 C ATOM 179 CD1 PHE A 11 -6.775 -20.461 -6.907 1.00 53.54 C ATOM 180 CD2 PHE A 11 -7.258 -21.308 -4.729 1.00 65.43 C ATOM 181 CE1 PHE A 11 -7.617 -21.404 -7.466 1.00 23.13 C ATOM 182 CE2 PHE A 11 -8.103 -22.252 -5.284 1.00 60.02 C ATOM 183 CZ PHE A 11 -8.284 -22.298 -6.653 1.00 51.14 C ATOM 0 H PHE A 11 -4.315 -17.269 -4.232 1.00 0.31 H new ATOM 0 HA PHE A 11 -5.695 -18.158 -6.682 1.00 75.33 H new ATOM 0 HB2 PHE A 11 -4.628 -19.761 -5.000 1.00 73.43 H new ATOM 0 HB3 PHE A 11 -5.879 -19.275 -3.873 1.00 73.43 H new ATOM 0 HD1 PHE A 11 -6.259 -19.761 -7.547 1.00 53.54 H new ATOM 0 HD2 PHE A 11 -7.122 -21.276 -3.658 1.00 65.43 H new ATOM 0 HE1 PHE A 11 -7.753 -21.441 -8.537 1.00 23.13 H new ATOM 0 HE2 PHE A 11 -8.621 -22.953 -4.647 1.00 60.02 H new ATOM 0 HZ PHE A 11 -8.947 -23.033 -7.086 1.00 51.14 H new ATOM 193 N GLU A 12 -7.865 -17.106 -6.222 1.00 71.15 N ATOM 194 CA GLU A 12 -9.096 -16.357 -6.040 1.00 34.10 C ATOM 195 C GLU A 12 -10.300 -17.279 -6.156 1.00 14.21 C ATOM 196 O GLU A 12 -10.573 -17.826 -7.225 1.00 51.31 O ATOM 197 CB GLU A 12 -9.176 -15.261 -7.099 1.00 40.40 C ATOM 198 CG GLU A 12 -7.927 -14.398 -7.159 1.00 11.14 C ATOM 199 CD GLU A 12 -7.774 -13.695 -8.485 1.00 21.10 C ATOM 200 OE1 GLU A 12 -7.372 -14.360 -9.462 1.00 61.13 O ATOM 201 OE2 GLU A 12 -8.052 -12.480 -8.562 1.00 1.42 O ATOM 0 H GLU A 12 -7.728 -17.466 -7.167 1.00 71.15 H new ATOM 0 HA GLU A 12 -9.100 -15.909 -5.046 1.00 34.10 H new ATOM 0 HB2 GLU A 12 -9.342 -15.718 -8.075 1.00 40.40 H new ATOM 0 HB3 GLU A 12 -10.039 -14.627 -6.893 1.00 40.40 H new ATOM 0 HG2 GLU A 12 -7.963 -13.657 -6.360 1.00 11.14 H new ATOM 0 HG3 GLU A 12 -7.050 -15.020 -6.978 1.00 11.14 H new ATOM 208 N VAL A 13 -11.015 -17.459 -5.060 1.00 74.53 N ATOM 209 CA VAL A 13 -12.184 -18.324 -5.054 1.00 41.43 C ATOM 210 C VAL A 13 -13.437 -17.548 -4.679 1.00 0.22 C ATOM 211 O VAL A 13 -13.366 -16.485 -4.063 1.00 25.13 O ATOM 212 CB VAL A 13 -12.014 -19.524 -4.097 1.00 55.35 C ATOM 213 CG1 VAL A 13 -10.962 -20.485 -4.620 1.00 72.50 C ATOM 214 CG2 VAL A 13 -11.656 -19.063 -2.693 1.00 30.13 C ATOM 0 H VAL A 13 -10.808 -17.019 -4.163 1.00 74.53 H new ATOM 0 HA VAL A 13 -12.290 -18.710 -6.068 1.00 41.43 H new ATOM 0 HB VAL A 13 -12.970 -20.046 -4.049 1.00 55.35 H new ATOM 0 HG11 VAL A 13 -10.859 -21.322 -3.930 1.00 72.50 H new ATOM 0 HG12 VAL A 13 -11.263 -20.857 -5.599 1.00 72.50 H new ATOM 0 HG13 VAL A 13 -10.007 -19.967 -4.707 1.00 72.50 H new ATOM 0 HG21 VAL A 13 -11.543 -19.931 -2.043 1.00 30.13 H new ATOM 0 HG22 VAL A 13 -10.719 -18.506 -2.721 1.00 30.13 H new ATOM 0 HG23 VAL A 13 -12.448 -18.421 -2.308 1.00 30.13 H new ATOM 224 N GLU A 14 -14.581 -18.075 -5.070 1.00 34.44 N ATOM 225 CA GLU A 14 -15.852 -17.448 -4.759 1.00 12.31 C ATOM 226 C GLU A 14 -16.631 -18.325 -3.790 1.00 32.13 C ATOM 227 O GLU A 14 -16.965 -19.467 -4.104 1.00 15.03 O ATOM 228 CB GLU A 14 -16.646 -17.209 -6.046 1.00 1.41 C ATOM 229 CG GLU A 14 -15.851 -16.445 -7.095 1.00 34.11 C ATOM 230 CD GLU A 14 -16.628 -16.186 -8.367 1.00 4.34 C ATOM 231 OE1 GLU A 14 -16.624 -15.030 -8.846 1.00 51.05 O ATOM 232 OE2 GLU A 14 -17.237 -17.136 -8.903 1.00 5.24 O ATOM 0 H GLU A 14 -14.657 -18.940 -5.606 1.00 34.44 H new ATOM 0 HA GLU A 14 -15.677 -16.482 -4.285 1.00 12.31 H new ATOM 0 HB2 GLU A 14 -16.957 -18.168 -6.459 1.00 1.41 H new ATOM 0 HB3 GLU A 14 -17.554 -16.655 -5.810 1.00 1.41 H new ATOM 0 HG2 GLU A 14 -15.530 -15.492 -6.674 1.00 34.11 H new ATOM 0 HG3 GLU A 14 -14.949 -17.007 -7.337 1.00 34.11 H new ATOM 239 N GLY A 15 -16.894 -17.797 -2.606 1.00 45.21 N ATOM 240 CA GLY A 15 -17.552 -18.577 -1.579 1.00 23.51 C ATOM 241 C GLY A 15 -18.620 -17.785 -0.869 1.00 3.54 C ATOM 242 O GLY A 15 -18.964 -16.685 -1.295 1.00 44.44 O ATOM 0 H GLY A 15 -16.663 -16.841 -2.337 1.00 45.21 H new ATOM 0 HA2 GLY A 15 -17.997 -19.466 -2.027 1.00 23.51 H new ATOM 0 HA3 GLY A 15 -16.813 -18.921 -0.855 1.00 23.51 H new ATOM 246 N ALA A 16 -19.147 -18.329 0.213 1.00 3.40 N ATOM 247 CA ALA A 16 -20.199 -17.662 0.957 1.00 72.41 C ATOM 248 C ALA A 16 -19.799 -17.483 2.408 1.00 11.34 C ATOM 249 O ALA A 16 -19.135 -18.341 2.985 1.00 23.11 O ATOM 250 CB ALA A 16 -21.493 -18.453 0.868 1.00 41.33 C ATOM 0 H ALA A 16 -18.863 -19.231 0.596 1.00 3.40 H new ATOM 0 HA ALA A 16 -20.356 -16.677 0.516 1.00 72.41 H new ATOM 0 HB1 ALA A 16 -22.273 -17.940 1.431 1.00 41.33 H new ATOM 0 HB2 ALA A 16 -21.796 -18.539 -0.176 1.00 41.33 H new ATOM 0 HB3 ALA A 16 -21.340 -19.449 1.285 1.00 41.33 H new ATOM 256 N VAL A 17 -20.198 -16.367 2.990 1.00 35.01 N ATOM 257 CA VAL A 17 -19.935 -16.110 4.396 1.00 73.40 C ATOM 258 C VAL A 17 -20.801 -17.014 5.273 1.00 31.41 C ATOM 259 O VAL A 17 -21.964 -17.278 4.954 1.00 14.34 O ATOM 260 CB VAL A 17 -20.173 -14.623 4.750 1.00 15.33 C ATOM 261 CG1 VAL A 17 -21.596 -14.209 4.416 1.00 4.21 C ATOM 262 CG2 VAL A 17 -19.860 -14.350 6.217 1.00 62.33 C ATOM 0 H VAL A 17 -20.706 -15.623 2.511 1.00 35.01 H new ATOM 0 HA VAL A 17 -18.886 -16.335 4.588 1.00 73.40 H new ATOM 0 HB VAL A 17 -19.493 -14.023 4.145 1.00 15.33 H new ATOM 0 HG11 VAL A 17 -21.740 -13.160 4.674 1.00 4.21 H new ATOM 0 HG12 VAL A 17 -21.775 -14.349 3.350 1.00 4.21 H new ATOM 0 HG13 VAL A 17 -22.296 -14.821 4.985 1.00 4.21 H new ATOM 0 HG21 VAL A 17 -20.036 -13.297 6.437 1.00 62.33 H new ATOM 0 HG22 VAL A 17 -20.503 -14.965 6.847 1.00 62.33 H new ATOM 0 HG23 VAL A 17 -18.816 -14.593 6.418 1.00 62.33 H new ATOM 272 N THR A 18 -20.221 -17.522 6.347 1.00 23.54 N ATOM 273 CA THR A 18 -20.940 -18.387 7.265 1.00 20.12 C ATOM 274 C THR A 18 -21.349 -17.618 8.515 1.00 2.20 C ATOM 275 O THR A 18 -22.496 -17.687 8.961 1.00 43.40 O ATOM 276 CB THR A 18 -20.070 -19.584 7.680 1.00 62.53 C ATOM 277 OG1 THR A 18 -19.244 -19.990 6.582 1.00 12.00 O ATOM 278 CG2 THR A 18 -20.935 -20.753 8.113 1.00 40.44 C ATOM 0 H THR A 18 -19.249 -17.349 6.605 1.00 23.54 H new ATOM 0 HA THR A 18 -21.830 -18.748 6.750 1.00 20.12 H new ATOM 0 HB THR A 18 -19.445 -19.277 8.519 1.00 62.53 H new ATOM 0 HG1 THR A 18 -18.659 -20.723 6.866 1.00 12.00 H new ATOM 0 HG21 THR A 18 -20.298 -21.589 8.402 1.00 40.44 H new ATOM 0 HG22 THR A 18 -21.551 -20.455 8.962 1.00 40.44 H new ATOM 0 HG23 THR A 18 -21.578 -21.056 7.286 1.00 40.44 H new ATOM 286 N ALA A 19 -20.394 -16.875 9.062 1.00 30.31 N ATOM 287 CA ALA A 19 -20.598 -16.115 10.285 1.00 40.53 C ATOM 288 C ALA A 19 -19.511 -15.057 10.422 1.00 52.44 C ATOM 289 O ALA A 19 -18.523 -15.076 9.682 1.00 13.01 O ATOM 290 CB ALA A 19 -20.594 -17.044 11.493 1.00 63.40 C ATOM 0 H ALA A 19 -19.457 -16.784 8.669 1.00 30.31 H new ATOM 0 HA ALA A 19 -21.568 -15.620 10.238 1.00 40.53 H new ATOM 0 HB1 ALA A 19 -20.748 -16.461 12.401 1.00 63.40 H new ATOM 0 HB2 ALA A 19 -21.395 -17.776 11.392 1.00 63.40 H new ATOM 0 HB3 ALA A 19 -19.636 -17.561 11.552 1.00 63.40 H new ATOM 296 N LEU A 20 -19.691 -14.135 11.355 1.00 52.24 N ATOM 297 CA LEU A 20 -18.706 -13.090 11.584 1.00 62.34 C ATOM 298 C LEU A 20 -18.308 -13.038 13.052 1.00 42.14 C ATOM 299 O LEU A 20 -19.061 -13.467 13.934 1.00 41.23 O ATOM 300 CB LEU A 20 -19.215 -11.713 11.130 1.00 63.13 C ATOM 301 CG LEU A 20 -20.337 -11.088 11.971 1.00 52.52 C ATOM 302 CD1 LEU A 20 -20.457 -9.603 11.669 1.00 21.22 C ATOM 303 CD2 LEU A 20 -21.666 -11.773 11.705 1.00 70.34 C ATOM 0 H LEU A 20 -20.508 -14.089 11.964 1.00 52.24 H new ATOM 0 HA LEU A 20 -17.830 -13.338 10.984 1.00 62.34 H new ATOM 0 HB2 LEU A 20 -18.371 -11.023 11.120 1.00 63.13 H new ATOM 0 HB3 LEU A 20 -19.567 -11.801 10.102 1.00 63.13 H new ATOM 0 HG LEU A 20 -20.082 -11.223 13.022 1.00 52.52 H new ATOM 0 HD11 LEU A 20 -21.256 -9.172 12.272 1.00 21.22 H new ATOM 0 HD12 LEU A 20 -19.516 -9.106 11.906 1.00 21.22 H new ATOM 0 HD13 LEU A 20 -20.685 -9.464 10.612 1.00 21.22 H new ATOM 0 HD21 LEU A 20 -22.442 -11.310 12.314 1.00 70.34 H new ATOM 0 HD22 LEU A 20 -21.923 -11.671 10.651 1.00 70.34 H new ATOM 0 HD23 LEU A 20 -21.588 -12.830 11.959 1.00 70.34 H new ATOM 315 N LEU A 21 -17.118 -12.522 13.300 1.00 32.12 N ATOM 316 CA LEU A 21 -16.590 -12.398 14.646 1.00 61.44 C ATOM 317 C LEU A 21 -16.593 -10.928 15.062 1.00 73.40 C ATOM 318 O LEU A 21 -16.437 -10.040 14.222 1.00 34.42 O ATOM 319 CB LEU A 21 -15.166 -12.974 14.730 1.00 2.23 C ATOM 320 CG LEU A 21 -15.037 -14.481 14.447 1.00 32.01 C ATOM 321 CD1 LEU A 21 -15.108 -14.776 12.954 1.00 52.44 C ATOM 322 CD2 LEU A 21 -13.746 -15.025 15.031 1.00 51.55 C ATOM 0 H LEU A 21 -16.490 -12.177 12.574 1.00 32.12 H new ATOM 0 HA LEU A 21 -17.224 -12.967 15.326 1.00 61.44 H new ATOM 0 HB2 LEU A 21 -14.534 -12.435 14.024 1.00 2.23 H new ATOM 0 HB3 LEU A 21 -14.772 -12.775 15.727 1.00 2.23 H new ATOM 0 HG LEU A 21 -15.878 -14.980 14.928 1.00 32.01 H new ATOM 0 HD11 LEU A 21 -15.014 -15.849 12.790 1.00 52.44 H new ATOM 0 HD12 LEU A 21 -16.064 -14.432 12.560 1.00 52.44 H new ATOM 0 HD13 LEU A 21 -14.297 -14.258 12.442 1.00 52.44 H new ATOM 0 HD21 LEU A 21 -13.673 -16.092 14.821 1.00 51.55 H new ATOM 0 HD22 LEU A 21 -12.898 -14.508 14.583 1.00 51.55 H new ATOM 0 HD23 LEU A 21 -13.739 -14.866 16.109 1.00 51.55 H new ATOM 334 N PRO A 22 -16.758 -10.651 16.363 1.00 14.13 N ATOM 335 CA PRO A 22 -16.862 -9.280 16.891 1.00 64.31 C ATOM 336 C PRO A 22 -15.545 -8.500 16.820 1.00 31.42 C ATOM 337 O PRO A 22 -15.404 -7.441 17.430 1.00 34.11 O ATOM 338 CB PRO A 22 -17.271 -9.479 18.354 1.00 62.51 C ATOM 339 CG PRO A 22 -17.643 -10.918 18.483 1.00 53.24 C ATOM 340 CD PRO A 22 -16.871 -11.649 17.430 1.00 71.42 C ATOM 0 HA PRO A 22 -17.569 -8.692 16.305 1.00 64.31 H new ATOM 0 HB2 PRO A 22 -16.451 -9.226 19.026 1.00 62.51 H new ATOM 0 HB3 PRO A 22 -18.110 -8.834 18.616 1.00 62.51 H new ATOM 0 HG2 PRO A 22 -17.398 -11.295 19.476 1.00 53.24 H new ATOM 0 HG3 PRO A 22 -18.715 -11.056 18.345 1.00 53.24 H new ATOM 0 HD2 PRO A 22 -15.893 -11.967 17.792 1.00 71.42 H new ATOM 0 HD3 PRO A 22 -17.393 -12.545 17.093 1.00 71.42 H new ATOM 348 N ALA A 23 -14.588 -9.027 16.078 1.00 74.52 N ATOM 349 CA ALA A 23 -13.300 -8.373 15.906 1.00 3.30 C ATOM 350 C ALA A 23 -13.202 -7.753 14.518 1.00 51.12 C ATOM 351 O ALA A 23 -12.103 -7.539 14.002 1.00 13.52 O ATOM 352 CB ALA A 23 -12.175 -9.371 16.120 1.00 45.52 C ATOM 0 H ALA A 23 -14.678 -9.913 15.581 1.00 74.52 H new ATOM 0 HA ALA A 23 -13.209 -7.578 16.647 1.00 3.30 H new ATOM 0 HB1 ALA A 23 -11.215 -8.871 15.989 1.00 45.52 H new ATOM 0 HB2 ALA A 23 -12.237 -9.778 17.129 1.00 45.52 H new ATOM 0 HB3 ALA A 23 -12.264 -10.181 15.396 1.00 45.52 H new ATOM 358 N ALA A 24 -14.367 -7.461 13.928 1.00 65.54 N ATOM 359 CA ALA A 24 -14.446 -6.953 12.554 1.00 1.02 C ATOM 360 C ALA A 24 -13.856 -7.981 11.598 1.00 62.23 C ATOM 361 O ALA A 24 -13.282 -7.648 10.559 1.00 44.10 O ATOM 362 CB ALA A 24 -13.732 -5.612 12.423 1.00 21.12 C ATOM 0 H ALA A 24 -15.273 -7.569 14.384 1.00 65.54 H new ATOM 0 HA ALA A 24 -15.493 -6.790 12.298 1.00 1.02 H new ATOM 0 HB1 ALA A 24 -13.806 -5.259 11.394 1.00 21.12 H new ATOM 0 HB2 ALA A 24 -14.196 -4.886 13.090 1.00 21.12 H new ATOM 0 HB3 ALA A 24 -12.682 -5.731 12.691 1.00 21.12 H new ATOM 368 N GLU A 25 -14.037 -9.238 11.963 1.00 62.11 N ATOM 369 CA GLU A 25 -13.439 -10.352 11.259 1.00 21.13 C ATOM 370 C GLU A 25 -14.538 -11.285 10.764 1.00 62.42 C ATOM 371 O GLU A 25 -15.552 -11.459 11.432 1.00 43.23 O ATOM 372 CB GLU A 25 -12.488 -11.077 12.215 1.00 43.41 C ATOM 373 CG GLU A 25 -11.624 -12.143 11.571 1.00 65.25 C ATOM 374 CD GLU A 25 -10.591 -12.686 12.537 1.00 21.50 C ATOM 375 OE1 GLU A 25 -9.443 -12.193 12.526 1.00 62.14 O ATOM 376 OE2 GLU A 25 -10.925 -13.590 13.325 1.00 53.42 O ATOM 0 H GLU A 25 -14.608 -9.513 12.762 1.00 62.11 H new ATOM 0 HA GLU A 25 -12.874 -10.004 10.394 1.00 21.13 H new ATOM 0 HB2 GLU A 25 -11.838 -10.339 12.686 1.00 43.41 H new ATOM 0 HB3 GLU A 25 -13.076 -11.537 13.009 1.00 43.41 H new ATOM 0 HG2 GLU A 25 -12.255 -12.958 11.217 1.00 65.25 H new ATOM 0 HG3 GLU A 25 -11.122 -11.726 10.698 1.00 65.25 H new ATOM 383 N PHE A 26 -14.352 -11.871 9.595 1.00 55.20 N ATOM 384 CA PHE A 26 -15.383 -12.713 9.006 1.00 45.34 C ATOM 385 C PHE A 26 -14.880 -14.133 8.805 1.00 33.35 C ATOM 386 O PHE A 26 -13.677 -14.389 8.843 1.00 54.14 O ATOM 387 CB PHE A 26 -15.853 -12.137 7.666 1.00 1.31 C ATOM 388 CG PHE A 26 -16.481 -10.777 7.775 1.00 33.01 C ATOM 389 CD1 PHE A 26 -17.841 -10.646 8.009 1.00 72.44 C ATOM 390 CD2 PHE A 26 -15.715 -9.631 7.641 1.00 44.11 C ATOM 391 CE1 PHE A 26 -18.422 -9.397 8.112 1.00 15.23 C ATOM 392 CE2 PHE A 26 -16.291 -8.380 7.743 1.00 70.44 C ATOM 393 CZ PHE A 26 -17.646 -8.263 7.977 1.00 42.24 C ATOM 0 H PHE A 26 -13.503 -11.782 9.036 1.00 55.20 H new ATOM 0 HA PHE A 26 -16.225 -12.736 9.698 1.00 45.34 H new ATOM 0 HB2 PHE A 26 -15.002 -12.080 6.988 1.00 1.31 H new ATOM 0 HB3 PHE A 26 -16.572 -12.824 7.219 1.00 1.31 H new ATOM 0 HD1 PHE A 26 -18.453 -11.530 8.112 1.00 72.44 H new ATOM 0 HD2 PHE A 26 -14.655 -9.717 7.455 1.00 44.11 H new ATOM 0 HE1 PHE A 26 -19.482 -9.308 8.298 1.00 15.23 H new ATOM 0 HE2 PHE A 26 -15.682 -7.494 7.640 1.00 70.44 H new ATOM 0 HZ PHE A 26 -18.099 -7.286 8.054 1.00 42.24 H new ATOM 403 N ARG A 27 -15.810 -15.052 8.613 1.00 35.14 N ATOM 404 CA ARG A 27 -15.482 -16.432 8.298 1.00 43.42 C ATOM 405 C ARG A 27 -16.360 -16.928 7.163 1.00 4.20 C ATOM 406 O ARG A 27 -17.585 -17.005 7.297 1.00 3.43 O ATOM 407 CB ARG A 27 -15.655 -17.314 9.529 1.00 50.35 C ATOM 408 CG ARG A 27 -14.375 -17.513 10.321 1.00 15.40 C ATOM 409 CD ARG A 27 -13.517 -18.610 9.715 1.00 14.23 C ATOM 410 NE ARG A 27 -12.427 -19.009 10.605 1.00 2.41 N ATOM 411 CZ ARG A 27 -11.521 -19.937 10.310 1.00 31.14 C ATOM 412 NH1 ARG A 27 -11.566 -20.576 9.149 1.00 14.23 N ATOM 413 NH2 ARG A 27 -10.575 -20.242 11.189 1.00 32.34 N ATOM 0 H ARG A 27 -16.811 -14.864 8.671 1.00 35.14 H new ATOM 0 HA ARG A 27 -14.440 -16.482 7.983 1.00 43.42 H new ATOM 0 HB2 ARG A 27 -16.409 -16.871 10.179 1.00 50.35 H new ATOM 0 HB3 ARG A 27 -16.034 -18.287 9.218 1.00 50.35 H new ATOM 0 HG2 ARG A 27 -13.812 -16.580 10.347 1.00 15.40 H new ATOM 0 HG3 ARG A 27 -14.619 -17.767 11.353 1.00 15.40 H new ATOM 0 HD2 ARG A 27 -14.140 -19.477 9.494 1.00 14.23 H new ATOM 0 HD3 ARG A 27 -13.103 -18.265 8.768 1.00 14.23 H new ATOM 0 HE ARG A 27 -12.357 -18.545 11.511 1.00 2.41 H new ATOM 0 HH11 ARG A 27 -12.299 -20.357 8.474 1.00 14.23 H new ATOM 0 HH12 ARG A 27 -10.867 -21.286 8.930 1.00 14.23 H new ATOM 0 HH21 ARG A 27 -10.543 -19.765 12.090 1.00 32.34 H new ATOM 0 HH22 ARG A 27 -9.880 -20.954 10.964 1.00 32.34 H new ATOM 427 N VAL A 28 -15.732 -17.244 6.043 1.00 2.31 N ATOM 428 CA VAL A 28 -16.456 -17.666 4.856 1.00 63.45 C ATOM 429 C VAL A 28 -15.984 -19.038 4.402 1.00 74.35 C ATOM 430 O VAL A 28 -14.865 -19.451 4.713 1.00 45.43 O ATOM 431 CB VAL A 28 -16.282 -16.663 3.693 1.00 32.51 C ATOM 432 CG1 VAL A 28 -16.663 -15.255 4.125 1.00 24.10 C ATOM 433 CG2 VAL A 28 -14.856 -16.687 3.156 1.00 63.20 C ATOM 0 H VAL A 28 -14.719 -17.216 5.931 1.00 2.31 H new ATOM 0 HA VAL A 28 -17.512 -17.708 5.124 1.00 63.45 H new ATOM 0 HB VAL A 28 -16.954 -16.969 2.891 1.00 32.51 H new ATOM 0 HG11 VAL A 28 -16.531 -14.569 3.288 1.00 24.10 H new ATOM 0 HG12 VAL A 28 -17.705 -15.242 4.444 1.00 24.10 H new ATOM 0 HG13 VAL A 28 -16.026 -14.943 4.953 1.00 24.10 H new ATOM 0 HG21 VAL A 28 -14.763 -15.972 2.339 1.00 63.20 H new ATOM 0 HG22 VAL A 28 -14.162 -16.419 3.953 1.00 63.20 H new ATOM 0 HG23 VAL A 28 -14.621 -17.687 2.791 1.00 63.20 H new ATOM 443 N LYS A 29 -16.837 -19.742 3.677 1.00 13.15 N ATOM 444 CA LYS A 29 -16.477 -21.046 3.153 1.00 1.54 C ATOM 445 C LYS A 29 -16.688 -21.093 1.648 1.00 43.32 C ATOM 446 O LYS A 29 -17.639 -20.507 1.122 1.00 23.44 O ATOM 447 CB LYS A 29 -17.275 -22.176 3.827 1.00 12.25 C ATOM 448 CG LYS A 29 -18.700 -22.361 3.316 1.00 73.44 C ATOM 449 CD LYS A 29 -19.652 -21.313 3.865 1.00 25.10 C ATOM 450 CE LYS A 29 -21.033 -21.444 3.248 1.00 35.21 C ATOM 451 NZ LYS A 29 -22.018 -20.529 3.883 1.00 14.24 N1+ ATOM 0 H LYS A 29 -17.780 -19.433 3.439 1.00 13.15 H new ATOM 0 HA LYS A 29 -15.421 -21.202 3.375 1.00 1.54 H new ATOM 0 HB2 LYS A 29 -16.733 -23.112 3.691 1.00 12.25 H new ATOM 0 HB3 LYS A 29 -17.313 -21.982 4.899 1.00 12.25 H new ATOM 0 HG2 LYS A 29 -18.702 -22.315 2.227 1.00 73.44 H new ATOM 0 HG3 LYS A 29 -19.057 -23.353 3.593 1.00 73.44 H new ATOM 0 HD2 LYS A 29 -19.724 -21.416 4.948 1.00 25.10 H new ATOM 0 HD3 LYS A 29 -19.255 -20.318 3.665 1.00 25.10 H new ATOM 0 HE2 LYS A 29 -20.975 -21.229 2.181 1.00 35.21 H new ATOM 0 HE3 LYS A 29 -21.378 -22.473 3.348 1.00 35.21 H new ATOM 0 HZ1 LYS A 29 -22.947 -20.651 3.431 1.00 14.24 H new ATOM 0 HZ2 LYS A 29 -22.094 -20.750 4.896 1.00 14.24 H new ATOM 0 HZ3 LYS A 29 -21.703 -19.545 3.766 1.00 14.24 H new ATOM 465 N LEU A 30 -15.774 -21.757 0.958 1.00 2.10 N ATOM 466 CA LEU A 30 -15.962 -22.077 -0.449 1.00 21.00 C ATOM 467 C LEU A 30 -17.180 -22.989 -0.578 1.00 25.11 C ATOM 468 O LEU A 30 -17.574 -23.620 0.400 1.00 11.53 O ATOM 469 CB LEU A 30 -14.706 -22.770 -0.994 1.00 2.22 C ATOM 470 CG LEU A 30 -14.726 -23.115 -2.485 1.00 22.44 C ATOM 471 CD1 LEU A 30 -14.801 -21.853 -3.329 1.00 23.40 C ATOM 472 CD2 LEU A 30 -13.498 -23.932 -2.856 1.00 11.22 C ATOM 0 H LEU A 30 -14.892 -22.086 1.351 1.00 2.10 H new ATOM 0 HA LEU A 30 -16.127 -21.168 -1.027 1.00 21.00 H new ATOM 0 HB2 LEU A 30 -13.847 -22.127 -0.801 1.00 2.22 H new ATOM 0 HB3 LEU A 30 -14.548 -23.690 -0.430 1.00 2.22 H new ATOM 0 HG LEU A 30 -15.615 -23.713 -2.687 1.00 22.44 H new ATOM 0 HD11 LEU A 30 -14.814 -22.122 -4.385 1.00 23.40 H new ATOM 0 HD12 LEU A 30 -15.710 -21.304 -3.083 1.00 23.40 H new ATOM 0 HD13 LEU A 30 -13.933 -21.227 -3.125 1.00 23.40 H new ATOM 0 HD21 LEU A 30 -13.527 -24.170 -3.919 1.00 11.22 H new ATOM 0 HD22 LEU A 30 -12.598 -23.357 -2.637 1.00 11.22 H new ATOM 0 HD23 LEU A 30 -13.488 -24.856 -2.278 1.00 11.22 H new ATOM 484 N ASP A 31 -17.774 -23.074 -1.760 1.00 34.21 N ATOM 485 CA ASP A 31 -18.979 -23.885 -1.937 1.00 34.24 C ATOM 486 C ASP A 31 -18.696 -25.379 -1.770 1.00 35.41 C ATOM 487 O ASP A 31 -19.617 -26.187 -1.698 1.00 0.35 O ATOM 488 CB ASP A 31 -19.637 -23.612 -3.290 1.00 11.13 C ATOM 489 CG ASP A 31 -20.839 -22.697 -3.157 1.00 42.42 C ATOM 490 OD1 ASP A 31 -21.888 -23.161 -2.657 1.00 3.22 O ATOM 491 OD2 ASP A 31 -20.745 -21.514 -3.541 1.00 63.32 O ATOM 0 H ASP A 31 -17.450 -22.600 -2.603 1.00 34.21 H new ATOM 0 HA ASP A 31 -19.674 -23.592 -1.150 1.00 34.24 H new ATOM 0 HB2 ASP A 31 -18.909 -23.160 -3.964 1.00 11.13 H new ATOM 0 HB3 ASP A 31 -19.946 -24.555 -3.741 1.00 11.13 H new ATOM 496 N ASN A 32 -17.419 -25.736 -1.696 1.00 11.53 N ATOM 497 CA ASN A 32 -17.017 -27.111 -1.398 1.00 44.23 C ATOM 498 C ASN A 32 -16.842 -27.280 0.118 1.00 63.20 C ATOM 499 O ASN A 32 -16.431 -28.329 0.611 1.00 53.12 O ATOM 500 CB ASN A 32 -15.721 -27.450 -2.151 1.00 50.44 C ATOM 501 CG ASN A 32 -15.307 -28.906 -2.013 1.00 50.31 C ATOM 502 OD1 ASN A 32 -14.495 -29.257 -1.159 1.00 51.12 O ATOM 503 ND2 ASN A 32 -15.860 -29.765 -2.855 1.00 0.42 N ATOM 0 H ASN A 32 -16.640 -25.093 -1.838 1.00 11.53 H new ATOM 0 HA ASN A 32 -17.791 -27.802 -1.731 1.00 44.23 H new ATOM 0 HB2 ASN A 32 -15.851 -27.215 -3.207 1.00 50.44 H new ATOM 0 HB3 ASN A 32 -14.917 -26.814 -1.780 1.00 50.44 H new ATOM 0 HD21 ASN A 32 -15.616 -30.754 -2.808 1.00 0.42 H new ATOM 0 HD22 ASN A 32 -16.530 -29.438 -3.551 1.00 0.42 H new ATOM 510 N GLU A 33 -17.173 -26.214 0.840 1.00 14.04 N ATOM 511 CA GLU A 33 -17.124 -26.171 2.300 1.00 23.12 C ATOM 512 C GLU A 33 -15.707 -26.302 2.847 1.00 5.41 C ATOM 513 O GLU A 33 -15.330 -27.321 3.424 1.00 20.54 O ATOM 514 CB GLU A 33 -18.051 -27.205 2.934 1.00 62.34 C ATOM 515 CG GLU A 33 -19.520 -26.923 2.677 1.00 33.32 C ATOM 516 CD GLU A 33 -20.425 -27.613 3.669 1.00 53.00 C ATOM 517 OE1 GLU A 33 -20.795 -28.779 3.432 1.00 12.44 O ATOM 518 OE2 GLU A 33 -20.778 -26.985 4.690 1.00 14.14 O ATOM 0 H GLU A 33 -17.489 -25.339 0.421 1.00 14.04 H new ATOM 0 HA GLU A 33 -17.484 -25.181 2.581 1.00 23.12 H new ATOM 0 HB2 GLU A 33 -17.803 -28.193 2.546 1.00 62.34 H new ATOM 0 HB3 GLU A 33 -17.875 -27.232 4.009 1.00 62.34 H new ATOM 0 HG2 GLU A 33 -19.693 -25.848 2.720 1.00 33.32 H new ATOM 0 HG3 GLU A 33 -19.778 -27.247 1.669 1.00 33.32 H new ATOM 525 N HIS A 34 -14.916 -25.272 2.599 1.00 43.04 N ATOM 526 CA HIS A 34 -13.655 -25.066 3.296 1.00 3.31 C ATOM 527 C HIS A 34 -13.631 -23.634 3.801 1.00 51.51 C ATOM 528 O HIS A 34 -13.723 -22.698 3.004 1.00 70.55 O ATOM 529 CB HIS A 34 -12.449 -25.334 2.389 1.00 31.12 C ATOM 530 CG HIS A 34 -12.211 -26.788 2.100 1.00 23.22 C ATOM 531 ND1 HIS A 34 -11.374 -27.581 2.859 1.00 22.32 N ATOM 532 CD2 HIS A 34 -12.699 -27.593 1.126 1.00 1.22 C ATOM 533 CE1 HIS A 34 -11.358 -28.802 2.362 1.00 51.31 C ATOM 534 NE2 HIS A 34 -12.152 -28.839 1.312 1.00 24.21 N1+ ATOM 0 H HIS A 34 -15.129 -24.553 1.908 1.00 43.04 H new ATOM 0 HA HIS A 34 -13.583 -25.770 4.125 1.00 3.31 H new ATOM 0 HB2 HIS A 34 -12.592 -24.806 1.446 1.00 31.12 H new ATOM 0 HB3 HIS A 34 -11.557 -24.917 2.856 1.00 31.12 H new ATOM 0 HD2 HIS A 34 -13.391 -27.308 0.347 1.00 1.22 H new ATOM 0 HE1 HIS A 34 -10.789 -29.633 2.751 1.00 51.31 H new ATOM 0 HE2 HIS A 34 -12.331 -29.659 0.732 1.00 24.21 H new ATOM 543 N GLU A 35 -13.541 -23.457 5.108 1.00 5.35 N ATOM 544 CA GLU A 35 -13.684 -22.133 5.695 1.00 3.43 C ATOM 545 C GLU A 35 -12.339 -21.486 5.971 1.00 22.42 C ATOM 546 O GLU A 35 -11.413 -22.129 6.463 1.00 74.31 O ATOM 547 CB GLU A 35 -14.495 -22.199 6.987 1.00 62.54 C ATOM 548 CG GLU A 35 -15.889 -22.761 6.793 1.00 12.11 C ATOM 549 CD GLU A 35 -16.787 -22.511 7.982 1.00 54.12 C ATOM 550 OE1 GLU A 35 -16.787 -23.334 8.919 1.00 72.11 O ATOM 551 OE2 GLU A 35 -17.512 -21.494 7.978 1.00 63.40 O ATOM 0 H GLU A 35 -13.371 -24.206 5.779 1.00 5.35 H new ATOM 0 HA GLU A 35 -14.213 -21.519 4.966 1.00 3.43 H new ATOM 0 HB2 GLU A 35 -13.961 -22.813 7.712 1.00 62.54 H new ATOM 0 HB3 GLU A 35 -14.570 -21.198 7.412 1.00 62.54 H new ATOM 0 HG2 GLU A 35 -16.336 -22.315 5.905 1.00 12.11 H new ATOM 0 HG3 GLU A 35 -15.822 -23.834 6.612 1.00 12.11 H new ATOM 558 N ILE A 36 -12.248 -20.205 5.653 1.00 24.31 N ATOM 559 CA ILE A 36 -11.057 -19.419 5.930 1.00 73.43 C ATOM 560 C ILE A 36 -11.442 -18.119 6.623 1.00 73.13 C ATOM 561 O ILE A 36 -12.623 -17.761 6.677 1.00 12.22 O ATOM 562 CB ILE A 36 -10.261 -19.099 4.647 1.00 34.10 C ATOM 563 CG1 ILE A 36 -11.173 -18.465 3.592 1.00 15.23 C ATOM 564 CG2 ILE A 36 -9.596 -20.359 4.111 1.00 31.21 C ATOM 565 CD1 ILE A 36 -10.458 -18.097 2.311 1.00 73.33 C ATOM 0 H ILE A 36 -12.995 -19.682 5.197 1.00 24.31 H new ATOM 0 HA ILE A 36 -10.418 -20.016 6.581 1.00 73.43 H new ATOM 0 HB ILE A 36 -9.480 -18.379 4.890 1.00 34.10 H new ATOM 0 HG12 ILE A 36 -11.982 -19.158 3.360 1.00 15.23 H new ATOM 0 HG13 ILE A 36 -11.631 -17.570 4.012 1.00 15.23 H new ATOM 0 HG21 ILE A 36 -9.038 -20.119 3.206 1.00 31.21 H new ATOM 0 HG22 ILE A 36 -8.915 -20.759 4.862 1.00 31.21 H new ATOM 0 HG23 ILE A 36 -10.359 -21.103 3.880 1.00 31.21 H new ATOM 0 HD11 ILE A 36 -11.168 -17.654 1.613 1.00 73.33 H new ATOM 0 HD12 ILE A 36 -9.667 -17.379 2.529 1.00 73.33 H new ATOM 0 HD13 ILE A 36 -10.023 -18.992 1.867 1.00 73.33 H new ATOM 577 N ILE A 37 -10.452 -17.426 7.155 1.00 24.12 N ATOM 578 CA ILE A 37 -10.687 -16.177 7.861 1.00 43.14 C ATOM 579 C ILE A 37 -10.806 -15.030 6.863 1.00 22.53 C ATOM 580 O ILE A 37 -10.231 -15.081 5.777 1.00 60.11 O ATOM 581 CB ILE A 37 -9.539 -15.878 8.859 1.00 41.34 C ATOM 582 CG1 ILE A 37 -9.323 -17.071 9.795 1.00 14.22 C ATOM 583 CG2 ILE A 37 -9.830 -14.620 9.666 1.00 22.32 C ATOM 584 CD1 ILE A 37 -8.147 -16.908 10.738 1.00 2.31 C ATOM 0 H ILE A 37 -9.473 -17.708 7.112 1.00 24.12 H new ATOM 0 HA ILE A 37 -11.617 -16.274 8.421 1.00 43.14 H new ATOM 0 HB ILE A 37 -8.627 -15.710 8.286 1.00 41.34 H new ATOM 0 HG12 ILE A 37 -10.228 -17.228 10.382 1.00 14.22 H new ATOM 0 HG13 ILE A 37 -9.173 -17.968 9.195 1.00 14.22 H new ATOM 0 HG21 ILE A 37 -9.009 -14.434 10.358 1.00 22.32 H new ATOM 0 HG22 ILE A 37 -9.935 -13.771 8.991 1.00 22.32 H new ATOM 0 HG23 ILE A 37 -10.755 -14.754 10.228 1.00 22.32 H new ATOM 0 HD11 ILE A 37 -8.060 -17.794 11.368 1.00 2.31 H new ATOM 0 HD12 ILE A 37 -7.232 -16.783 10.160 1.00 2.31 H new ATOM 0 HD13 ILE A 37 -8.303 -16.031 11.366 1.00 2.31 H new ATOM 596 N CYS A 38 -11.575 -14.014 7.209 1.00 14.31 N ATOM 597 CA CYS A 38 -11.675 -12.836 6.376 1.00 12.24 C ATOM 598 C CYS A 38 -11.382 -11.580 7.184 1.00 73.23 C ATOM 599 O CYS A 38 -11.804 -11.458 8.336 1.00 20.32 O ATOM 600 CB CYS A 38 -13.063 -12.738 5.745 1.00 71.53 C ATOM 601 SG CYS A 38 -13.350 -11.206 4.830 1.00 30.32 S ATOM 0 H CYS A 38 -12.137 -13.983 8.060 1.00 14.31 H new ATOM 0 HA CYS A 38 -10.934 -12.922 5.581 1.00 12.24 H new ATOM 0 HB2 CYS A 38 -13.205 -13.583 5.071 1.00 71.53 H new ATOM 0 HB3 CYS A 38 -13.814 -12.826 6.530 1.00 71.53 H new ATOM 0 HG CYS A 38 -14.134 -10.430 5.518 1.00 30.32 H new ATOM 607 N HIS A 39 -10.670 -10.649 6.570 1.00 71.23 N ATOM 608 CA HIS A 39 -10.344 -9.381 7.203 1.00 23.11 C ATOM 609 C HIS A 39 -10.056 -8.341 6.132 1.00 3.32 C ATOM 610 O HIS A 39 -9.683 -8.689 5.006 1.00 62.33 O ATOM 611 CB HIS A 39 -9.132 -9.529 8.131 1.00 13.44 C ATOM 612 CG HIS A 39 -9.383 -9.074 9.540 1.00 71.24 C ATOM 613 ND1 HIS A 39 -8.907 -9.749 10.643 1.00 61.31 N ATOM 614 CD2 HIS A 39 -10.056 -8.003 10.023 1.00 64.54 C ATOM 615 CE1 HIS A 39 -9.273 -9.113 11.739 1.00 52.31 C ATOM 616 NE2 HIS A 39 -9.971 -8.047 11.392 1.00 51.54 N1+ ATOM 0 H HIS A 39 -10.303 -10.750 5.624 1.00 71.23 H new ATOM 0 HA HIS A 39 -11.195 -9.061 7.805 1.00 23.11 H new ATOM 0 HB2 HIS A 39 -8.825 -10.575 8.147 1.00 13.44 H new ATOM 0 HB3 HIS A 39 -8.300 -8.959 7.719 1.00 13.44 H new ATOM 0 HD2 HIS A 39 -10.566 -7.252 9.438 1.00 64.54 H new ATOM 0 HE1 HIS A 39 -9.041 -9.413 12.750 1.00 52.31 H new ATOM 0 HE2 HIS A 39 -10.379 -7.369 12.035 1.00 51.54 H new ATOM 625 N VAL A 40 -10.232 -7.074 6.471 1.00 61.24 N ATOM 626 CA VAL A 40 -9.957 -5.999 5.534 1.00 11.23 C ATOM 627 C VAL A 40 -8.454 -5.841 5.318 1.00 31.33 C ATOM 628 O VAL A 40 -7.673 -5.818 6.267 1.00 50.21 O ATOM 629 CB VAL A 40 -10.568 -4.658 6.003 1.00 31.15 C ATOM 630 CG1 VAL A 40 -12.088 -4.731 5.980 1.00 22.24 C ATOM 631 CG2 VAL A 40 -10.074 -4.288 7.397 1.00 50.32 C ATOM 0 H VAL A 40 -10.563 -6.766 7.385 1.00 61.24 H new ATOM 0 HA VAL A 40 -10.426 -6.269 4.588 1.00 11.23 H new ATOM 0 HB VAL A 40 -10.244 -3.879 5.313 1.00 31.15 H new ATOM 0 HG11 VAL A 40 -12.503 -3.780 6.313 1.00 22.24 H new ATOM 0 HG12 VAL A 40 -12.427 -4.940 4.965 1.00 22.24 H new ATOM 0 HG13 VAL A 40 -12.424 -5.526 6.646 1.00 22.24 H new ATOM 0 HG21 VAL A 40 -10.520 -3.341 7.701 1.00 50.32 H new ATOM 0 HG22 VAL A 40 -10.360 -5.067 8.103 1.00 50.32 H new ATOM 0 HG23 VAL A 40 -8.988 -4.191 7.384 1.00 50.32 H new ATOM 641 N SER A 41 -8.054 -5.781 4.059 1.00 51.50 N ATOM 642 CA SER A 41 -6.656 -5.595 3.710 1.00 3.13 C ATOM 643 C SER A 41 -6.483 -4.297 2.922 1.00 53.13 C ATOM 644 O SER A 41 -7.395 -3.471 2.906 1.00 25.22 O ATOM 645 CB SER A 41 -6.161 -6.798 2.902 1.00 3.45 C ATOM 646 OG SER A 41 -6.394 -8.012 3.606 1.00 33.15 O ATOM 0 H SER A 41 -8.681 -5.859 3.258 1.00 51.50 H new ATOM 0 HA SER A 41 -6.060 -5.522 4.620 1.00 3.13 H new ATOM 0 HB2 SER A 41 -6.670 -6.828 1.938 1.00 3.45 H new ATOM 0 HB3 SER A 41 -5.096 -6.690 2.697 1.00 3.45 H new ATOM 0 HG SER A 41 -7.330 -8.279 3.496 1.00 33.15 H new ATOM 652 N GLY A 42 -5.322 -4.147 2.276 1.00 4.31 N ATOM 653 CA GLY A 42 -4.978 -2.945 1.515 1.00 22.52 C ATOM 654 C GLY A 42 -6.129 -2.335 0.731 1.00 32.31 C ATOM 655 O GLY A 42 -6.847 -1.469 1.239 1.00 52.52 O ATOM 0 H GLY A 42 -4.593 -4.860 2.267 1.00 4.31 H new ATOM 0 HA2 GLY A 42 -4.588 -2.195 2.204 1.00 22.52 H new ATOM 0 HA3 GLY A 42 -4.174 -3.189 0.821 1.00 22.52 H new ATOM 659 N LYS A 43 -6.253 -2.745 -0.526 1.00 31.31 N ATOM 660 CA LYS A 43 -7.289 -2.239 -1.435 1.00 43.12 C ATOM 661 C LYS A 43 -8.674 -2.158 -0.773 1.00 33.12 C ATOM 662 O LYS A 43 -9.416 -1.199 -0.986 1.00 0.13 O ATOM 663 CB LYS A 43 -7.366 -3.134 -2.675 1.00 44.31 C ATOM 664 CG LYS A 43 -8.383 -2.669 -3.702 1.00 63.14 C ATOM 665 CD LYS A 43 -8.476 -3.625 -4.882 1.00 34.32 C ATOM 666 CE LYS A 43 -8.998 -4.991 -4.466 1.00 55.54 C ATOM 667 NZ LYS A 43 -9.110 -5.912 -5.627 1.00 13.13 N1+ ATOM 0 H LYS A 43 -5.639 -3.440 -0.950 1.00 31.31 H new ATOM 0 HA LYS A 43 -7.005 -1.224 -1.713 1.00 43.12 H new ATOM 0 HB2 LYS A 43 -6.383 -3.176 -3.144 1.00 44.31 H new ATOM 0 HB3 LYS A 43 -7.614 -4.149 -2.365 1.00 44.31 H new ATOM 0 HG2 LYS A 43 -9.361 -2.579 -3.229 1.00 63.14 H new ATOM 0 HG3 LYS A 43 -8.110 -1.676 -4.060 1.00 63.14 H new ATOM 0 HD2 LYS A 43 -9.133 -3.201 -5.641 1.00 34.32 H new ATOM 0 HD3 LYS A 43 -7.492 -3.736 -5.338 1.00 34.32 H new ATOM 0 HE2 LYS A 43 -8.331 -5.424 -3.721 1.00 55.54 H new ATOM 0 HE3 LYS A 43 -9.974 -4.880 -3.994 1.00 55.54 H new ATOM 0 HZ1 LYS A 43 -9.469 -6.834 -5.306 1.00 13.13 H new ATOM 0 HZ2 LYS A 43 -9.766 -5.510 -6.327 1.00 13.13 H new ATOM 0 HZ3 LYS A 43 -8.174 -6.038 -6.062 1.00 13.13 H new ATOM 681 N VAL A 44 -9.012 -3.152 0.037 1.00 0.25 N ATOM 682 CA VAL A 44 -10.333 -3.216 0.660 1.00 54.23 C ATOM 683 C VAL A 44 -10.553 -2.056 1.639 1.00 52.11 C ATOM 684 O VAL A 44 -11.634 -1.468 1.680 1.00 1.33 O ATOM 685 CB VAL A 44 -10.541 -4.558 1.400 1.00 5.41 C ATOM 686 CG1 VAL A 44 -11.915 -4.614 2.047 1.00 51.32 C ATOM 687 CG2 VAL A 44 -10.356 -5.732 0.449 1.00 12.20 C ATOM 0 H VAL A 44 -8.393 -3.925 0.280 1.00 0.25 H new ATOM 0 HA VAL A 44 -11.063 -3.137 -0.146 1.00 54.23 H new ATOM 0 HB VAL A 44 -9.789 -4.627 2.186 1.00 5.41 H new ATOM 0 HG11 VAL A 44 -12.037 -5.568 2.561 1.00 51.32 H new ATOM 0 HG12 VAL A 44 -12.013 -3.800 2.765 1.00 51.32 H new ATOM 0 HG13 VAL A 44 -12.683 -4.515 1.280 1.00 51.32 H new ATOM 0 HG21 VAL A 44 -10.507 -6.666 0.990 1.00 12.20 H new ATOM 0 HG22 VAL A 44 -11.081 -5.661 -0.362 1.00 12.20 H new ATOM 0 HG23 VAL A 44 -9.347 -5.711 0.036 1.00 12.20 H new ATOM 697 N ARG A 45 -9.512 -1.712 2.391 1.00 32.41 N ATOM 698 CA ARG A 45 -9.618 -0.737 3.474 1.00 74.43 C ATOM 699 C ARG A 45 -10.118 0.616 2.967 1.00 0.25 C ATOM 700 O ARG A 45 -11.081 1.163 3.503 1.00 63.42 O ATOM 701 CB ARG A 45 -8.258 -0.581 4.178 1.00 71.14 C ATOM 702 CG ARG A 45 -8.311 0.143 5.524 1.00 4.24 C ATOM 703 CD ARG A 45 -8.549 1.640 5.368 1.00 64.13 C ATOM 704 NE ARG A 45 -8.648 2.327 6.651 1.00 4.41 N ATOM 705 CZ ARG A 45 -9.759 2.913 7.098 1.00 63.30 C ATOM 706 NH1 ARG A 45 -10.887 2.837 6.397 1.00 30.15 N ATOM 707 NH2 ARG A 45 -9.744 3.561 8.255 1.00 33.43 N ATOM 0 H ARG A 45 -8.576 -2.098 2.269 1.00 32.41 H new ATOM 0 HA ARG A 45 -10.350 -1.108 4.191 1.00 74.43 H new ATOM 0 HB2 ARG A 45 -7.828 -1.571 4.331 1.00 71.14 H new ATOM 0 HB3 ARG A 45 -7.582 -0.039 3.516 1.00 71.14 H new ATOM 0 HG2 ARG A 45 -9.105 -0.287 6.134 1.00 4.24 H new ATOM 0 HG3 ARG A 45 -7.375 -0.020 6.058 1.00 4.24 H new ATOM 0 HD2 ARG A 45 -7.735 2.075 4.788 1.00 64.13 H new ATOM 0 HD3 ARG A 45 -9.466 1.802 4.801 1.00 64.13 H new ATOM 0 HE ARG A 45 -7.817 2.361 7.242 1.00 4.41 H new ATOM 0 HH11 ARG A 45 -10.905 2.329 5.513 1.00 30.15 H new ATOM 0 HH12 ARG A 45 -11.734 3.287 6.744 1.00 30.15 H new ATOM 0 HH21 ARG A 45 -8.884 3.610 8.801 1.00 33.43 H new ATOM 0 HH22 ARG A 45 -10.593 4.010 8.599 1.00 33.43 H new ATOM 721 N ARG A 46 -9.472 1.162 1.943 1.00 65.52 N ATOM 722 CA ARG A 46 -9.802 2.516 1.498 1.00 12.03 C ATOM 723 C ARG A 46 -11.020 2.516 0.578 1.00 60.11 C ATOM 724 O ARG A 46 -11.520 3.572 0.197 1.00 42.32 O ATOM 725 CB ARG A 46 -8.609 3.194 0.802 1.00 14.51 C ATOM 726 CG ARG A 46 -8.502 2.926 -0.696 1.00 62.53 C ATOM 727 CD ARG A 46 -7.950 1.547 -1.004 1.00 4.21 C ATOM 728 NE ARG A 46 -7.931 1.286 -2.442 1.00 32.22 N ATOM 729 CZ ARG A 46 -6.920 1.610 -3.248 1.00 74.25 C ATOM 730 NH1 ARG A 46 -5.837 2.208 -2.760 1.00 42.20 N ATOM 731 NH2 ARG A 46 -6.996 1.338 -4.542 1.00 44.44 N ATOM 0 H ARG A 46 -8.732 0.702 1.413 1.00 65.52 H new ATOM 0 HA ARG A 46 -10.043 3.093 2.391 1.00 12.03 H new ATOM 0 HB2 ARG A 46 -8.679 4.270 0.960 1.00 14.51 H new ATOM 0 HB3 ARG A 46 -7.689 2.861 1.283 1.00 14.51 H new ATOM 0 HG2 ARG A 46 -9.487 3.029 -1.151 1.00 62.53 H new ATOM 0 HG3 ARG A 46 -7.860 3.680 -1.151 1.00 62.53 H new ATOM 0 HD2 ARG A 46 -6.940 1.461 -0.604 1.00 4.21 H new ATOM 0 HD3 ARG A 46 -8.556 0.791 -0.504 1.00 4.21 H new ATOM 0 HE ARG A 46 -8.743 0.827 -2.855 1.00 32.22 H new ATOM 0 HH11 ARG A 46 -5.777 2.421 -1.764 1.00 42.20 H new ATOM 0 HH12 ARG A 46 -5.066 2.454 -3.381 1.00 42.20 H new ATOM 0 HH21 ARG A 46 -7.827 0.882 -4.919 1.00 44.44 H new ATOM 0 HH22 ARG A 46 -6.224 1.585 -5.161 1.00 44.44 H new ATOM 745 N SER A 47 -11.500 1.331 0.232 1.00 34.12 N ATOM 746 CA SER A 47 -12.639 1.210 -0.663 1.00 61.04 C ATOM 747 C SER A 47 -13.947 1.285 0.119 1.00 13.43 C ATOM 748 O SER A 47 -14.994 1.604 -0.449 1.00 70.23 O ATOM 749 CB SER A 47 -12.565 -0.103 -1.451 1.00 22.53 C ATOM 750 OG SER A 47 -13.599 -0.183 -2.421 1.00 4.01 O ATOM 0 H SER A 47 -11.119 0.442 0.557 1.00 34.12 H new ATOM 0 HA SER A 47 -12.610 2.041 -1.368 1.00 61.04 H new ATOM 0 HB2 SER A 47 -11.595 -0.180 -1.943 1.00 22.53 H new ATOM 0 HB3 SER A 47 -12.642 -0.946 -0.764 1.00 22.53 H new ATOM 0 HG SER A 47 -13.525 -1.030 -2.909 1.00 4.01 H new ATOM 756 N LYS A 48 -13.865 1.014 1.425 1.00 54.15 N ATOM 757 CA LYS A 48 -15.039 0.960 2.296 1.00 10.02 C ATOM 758 C LYS A 48 -16.020 -0.090 1.793 1.00 13.34 C ATOM 759 O LYS A 48 -17.009 0.222 1.123 1.00 32.52 O ATOM 760 CB LYS A 48 -15.722 2.326 2.396 1.00 2.12 C ATOM 761 CG LYS A 48 -14.822 3.420 2.945 1.00 64.02 C ATOM 762 CD LYS A 48 -15.499 4.777 2.871 1.00 5.31 C ATOM 763 CE LYS A 48 -14.581 5.885 3.350 1.00 73.40 C ATOM 764 NZ LYS A 48 -15.154 7.228 3.082 1.00 75.52 N1+ ATOM 0 H LYS A 48 -12.985 0.827 1.905 1.00 54.15 H new ATOM 0 HA LYS A 48 -14.704 0.682 3.295 1.00 10.02 H new ATOM 0 HB2 LYS A 48 -16.074 2.620 1.407 1.00 2.12 H new ATOM 0 HB3 LYS A 48 -16.601 2.237 3.034 1.00 2.12 H new ATOM 0 HG2 LYS A 48 -14.563 3.196 3.980 1.00 64.02 H new ATOM 0 HG3 LYS A 48 -13.890 3.445 2.381 1.00 64.02 H new ATOM 0 HD2 LYS A 48 -15.805 4.976 1.844 1.00 5.31 H new ATOM 0 HD3 LYS A 48 -16.405 4.766 3.478 1.00 5.31 H new ATOM 0 HE2 LYS A 48 -14.402 5.773 4.419 1.00 73.40 H new ATOM 0 HE3 LYS A 48 -13.614 5.796 2.854 1.00 73.40 H new ATOM 0 HZ1 LYS A 48 -14.498 7.960 3.423 1.00 75.52 H new ATOM 0 HZ2 LYS A 48 -15.301 7.345 2.059 1.00 75.52 H new ATOM 0 HZ3 LYS A 48 -16.065 7.322 3.576 1.00 75.52 H new ATOM 778 N ILE A 49 -15.723 -1.337 2.107 1.00 13.45 N ATOM 779 CA ILE A 49 -16.494 -2.461 1.603 1.00 24.41 C ATOM 780 C ILE A 49 -17.382 -3.053 2.693 1.00 44.53 C ATOM 781 O ILE A 49 -16.964 -3.187 3.845 1.00 23.22 O ATOM 782 CB ILE A 49 -15.559 -3.553 1.031 1.00 24.52 C ATOM 783 CG1 ILE A 49 -14.826 -3.030 -0.209 1.00 53.51 C ATOM 784 CG2 ILE A 49 -16.331 -4.821 0.702 1.00 62.01 C ATOM 785 CD1 ILE A 49 -15.752 -2.612 -1.333 1.00 24.21 C ATOM 0 H ILE A 49 -14.947 -1.600 2.714 1.00 13.45 H new ATOM 0 HA ILE A 49 -17.134 -2.090 0.802 1.00 24.41 H new ATOM 0 HB ILE A 49 -14.821 -3.801 1.794 1.00 24.52 H new ATOM 0 HG12 ILE A 49 -14.209 -2.178 0.077 1.00 53.51 H new ATOM 0 HG13 ILE A 49 -14.151 -3.804 -0.575 1.00 53.51 H new ATOM 0 HG21 ILE A 49 -15.647 -5.570 0.302 1.00 62.01 H new ATOM 0 HG22 ILE A 49 -16.801 -5.206 1.607 1.00 62.01 H new ATOM 0 HG23 ILE A 49 -17.098 -4.598 -0.039 1.00 62.01 H new ATOM 0 HD11 ILE A 49 -15.162 -2.253 -2.176 1.00 24.21 H new ATOM 0 HD12 ILE A 49 -16.352 -3.466 -1.647 1.00 24.21 H new ATOM 0 HD13 ILE A 49 -16.410 -1.815 -0.985 1.00 24.21 H new ATOM 797 N ARG A 50 -18.612 -3.390 2.318 1.00 23.43 N ATOM 798 CA ARG A 50 -19.562 -4.001 3.234 1.00 1.12 C ATOM 799 C ARG A 50 -19.773 -5.466 2.870 1.00 45.41 C ATOM 800 O ARG A 50 -20.393 -5.779 1.852 1.00 52.04 O ATOM 801 CB ARG A 50 -20.902 -3.259 3.186 1.00 44.44 C ATOM 802 CG ARG A 50 -21.923 -3.775 4.185 1.00 74.11 C ATOM 803 CD ARG A 50 -23.280 -3.133 3.960 1.00 64.52 C ATOM 804 NE ARG A 50 -24.256 -3.531 4.976 1.00 4.11 N ATOM 805 CZ ARG A 50 -25.536 -3.165 4.962 1.00 4.11 C ATOM 806 NH1 ARG A 50 -26.020 -2.451 3.952 1.00 34.05 N ATOM 807 NH2 ARG A 50 -26.334 -3.541 5.952 1.00 52.22 N ATOM 0 H ARG A 50 -18.974 -3.247 1.375 1.00 23.43 H new ATOM 0 HA ARG A 50 -19.158 -3.937 4.244 1.00 1.12 H new ATOM 0 HB2 ARG A 50 -20.727 -2.200 3.373 1.00 44.44 H new ATOM 0 HB3 ARG A 50 -21.317 -3.341 2.181 1.00 44.44 H new ATOM 0 HG2 ARG A 50 -22.010 -4.858 4.095 1.00 74.11 H new ATOM 0 HG3 ARG A 50 -21.582 -3.566 5.199 1.00 74.11 H new ATOM 0 HD2 ARG A 50 -23.172 -2.048 3.967 1.00 64.52 H new ATOM 0 HD3 ARG A 50 -23.652 -3.410 2.973 1.00 64.52 H new ATOM 0 HE ARG A 50 -23.936 -4.125 5.741 1.00 4.11 H new ATOM 0 HH11 ARG A 50 -25.410 -2.180 3.181 1.00 34.05 H new ATOM 0 HH12 ARG A 50 -27.002 -2.174 3.948 1.00 34.05 H new ATOM 0 HH21 ARG A 50 -25.966 -4.107 6.717 1.00 52.22 H new ATOM 0 HH22 ARG A 50 -27.316 -3.265 5.949 1.00 52.22 H new ATOM 821 N ILE A 51 -19.235 -6.355 3.687 1.00 1.43 N ATOM 822 CA ILE A 51 -19.404 -7.785 3.474 1.00 72.02 C ATOM 823 C ILE A 51 -20.657 -8.264 4.205 1.00 40.40 C ATOM 824 O ILE A 51 -20.708 -8.267 5.435 1.00 35.11 O ATOM 825 CB ILE A 51 -18.164 -8.570 3.960 1.00 52.13 C ATOM 826 CG1 ILE A 51 -16.895 -7.984 3.329 1.00 54.02 C ATOM 827 CG2 ILE A 51 -18.291 -10.047 3.611 1.00 33.32 C ATOM 828 CD1 ILE A 51 -15.615 -8.623 3.819 1.00 4.20 C ATOM 0 H ILE A 51 -18.676 -6.113 4.505 1.00 1.43 H new ATOM 0 HA ILE A 51 -19.515 -7.968 2.405 1.00 72.02 H new ATOM 0 HB ILE A 51 -18.098 -8.479 5.044 1.00 52.13 H new ATOM 0 HG12 ILE A 51 -16.954 -8.096 2.246 1.00 54.02 H new ATOM 0 HG13 ILE A 51 -16.858 -6.915 3.537 1.00 54.02 H new ATOM 0 HG21 ILE A 51 -17.408 -10.581 3.962 1.00 33.32 H new ATOM 0 HG22 ILE A 51 -19.179 -10.459 4.091 1.00 33.32 H new ATOM 0 HG23 ILE A 51 -18.377 -10.159 2.530 1.00 33.32 H new ATOM 0 HD11 ILE A 51 -14.763 -8.155 3.327 1.00 4.20 H new ATOM 0 HD12 ILE A 51 -15.530 -8.488 4.897 1.00 4.20 H new ATOM 0 HD13 ILE A 51 -15.628 -9.688 3.587 1.00 4.20 H new ATOM 840 N ILE A 52 -21.670 -8.652 3.440 1.00 22.03 N ATOM 841 CA ILE A 52 -22.980 -8.972 4.001 1.00 54.41 C ATOM 842 C ILE A 52 -23.191 -10.479 4.138 1.00 52.14 C ATOM 843 O ILE A 52 -22.629 -11.271 3.379 1.00 63.42 O ATOM 844 CB ILE A 52 -24.139 -8.365 3.165 1.00 24.55 C ATOM 845 CG1 ILE A 52 -24.195 -8.964 1.747 1.00 1.25 C ATOM 846 CG2 ILE A 52 -24.006 -6.847 3.103 1.00 21.22 C ATOM 847 CD1 ILE A 52 -23.102 -8.481 0.810 1.00 65.30 C ATOM 0 H ILE A 52 -21.611 -8.753 2.427 1.00 22.03 H new ATOM 0 HA ILE A 52 -22.995 -8.523 4.994 1.00 54.41 H new ATOM 0 HB ILE A 52 -25.076 -8.618 3.662 1.00 24.55 H new ATOM 0 HG12 ILE A 52 -24.136 -10.050 1.823 1.00 1.25 H new ATOM 0 HG13 ILE A 52 -25.163 -8.728 1.306 1.00 1.25 H new ATOM 0 HG21 ILE A 52 -24.825 -6.434 2.514 1.00 21.22 H new ATOM 0 HG22 ILE A 52 -24.042 -6.437 4.112 1.00 21.22 H new ATOM 0 HG23 ILE A 52 -23.056 -6.584 2.638 1.00 21.22 H new ATOM 0 HD11 ILE A 52 -23.222 -8.956 -0.164 1.00 65.30 H new ATOM 0 HD12 ILE A 52 -23.171 -7.399 0.697 1.00 65.30 H new ATOM 0 HD13 ILE A 52 -22.127 -8.741 1.223 1.00 65.30 H new ATOM 859 N ILE A 53 -24.003 -10.860 5.117 1.00 13.33 N ATOM 860 CA ILE A 53 -24.271 -12.265 5.400 1.00 21.32 C ATOM 861 C ILE A 53 -25.279 -12.850 4.413 1.00 1.43 C ATOM 862 O ILE A 53 -26.356 -12.288 4.207 1.00 10.53 O ATOM 863 CB ILE A 53 -24.804 -12.456 6.838 1.00 0.10 C ATOM 864 CG1 ILE A 53 -23.820 -11.864 7.849 1.00 34.45 C ATOM 865 CG2 ILE A 53 -25.041 -13.934 7.127 1.00 13.51 C ATOM 866 CD1 ILE A 53 -24.293 -11.971 9.282 1.00 11.34 C ATOM 0 H ILE A 53 -24.491 -10.209 5.733 1.00 13.33 H new ATOM 0 HA ILE A 53 -23.323 -12.793 5.296 1.00 21.32 H new ATOM 0 HB ILE A 53 -25.755 -11.932 6.930 1.00 0.10 H new ATOM 0 HG12 ILE A 53 -22.861 -12.373 7.752 1.00 34.45 H new ATOM 0 HG13 ILE A 53 -23.650 -10.815 7.608 1.00 34.45 H new ATOM 0 HG21 ILE A 53 -25.416 -14.050 8.144 1.00 13.51 H new ATOM 0 HG22 ILE A 53 -25.773 -14.330 6.423 1.00 13.51 H new ATOM 0 HG23 ILE A 53 -24.104 -14.480 7.021 1.00 13.51 H new ATOM 0 HD11 ILE A 53 -23.547 -11.532 9.945 1.00 11.34 H new ATOM 0 HD12 ILE A 53 -25.237 -11.438 9.394 1.00 11.34 H new ATOM 0 HD13 ILE A 53 -24.436 -13.020 9.541 1.00 11.34 H new ATOM 878 N GLY A 54 -24.918 -13.974 3.802 1.00 23.22 N ATOM 879 CA GLY A 54 -25.842 -14.684 2.938 1.00 52.32 C ATOM 880 C GLY A 54 -25.429 -14.647 1.481 1.00 44.52 C ATOM 881 O GLY A 54 -25.681 -15.592 0.729 1.00 42.24 O ATOM 0 H GLY A 54 -23.999 -14.407 3.891 1.00 23.22 H new ATOM 0 HA2 GLY A 54 -25.913 -15.721 3.264 1.00 52.32 H new ATOM 0 HA3 GLY A 54 -26.836 -14.248 3.040 1.00 52.32 H new ATOM 885 N ASP A 55 -24.777 -13.565 1.092 1.00 21.04 N ATOM 886 CA ASP A 55 -24.397 -13.346 -0.297 1.00 10.12 C ATOM 887 C ASP A 55 -23.064 -14.024 -0.609 1.00 52.14 C ATOM 888 O ASP A 55 -22.227 -14.203 0.280 1.00 75.12 O ATOM 889 CB ASP A 55 -24.317 -11.837 -0.561 1.00 0.11 C ATOM 890 CG ASP A 55 -23.939 -11.478 -1.985 1.00 2.43 C ATOM 891 OD1 ASP A 55 -24.688 -11.840 -2.919 1.00 15.41 O ATOM 892 OD2 ASP A 55 -22.927 -10.780 -2.174 1.00 25.14 O ATOM 0 H ASP A 55 -24.496 -12.816 1.725 1.00 21.04 H new ATOM 0 HA ASP A 55 -25.149 -13.787 -0.951 1.00 10.12 H new ATOM 0 HB2 ASP A 55 -25.282 -11.386 -0.328 1.00 0.11 H new ATOM 0 HB3 ASP A 55 -23.587 -11.398 0.119 1.00 0.11 H new ATOM 897 N ARG A 56 -22.883 -14.428 -1.863 1.00 25.24 N ATOM 898 CA ARG A 56 -21.617 -14.995 -2.303 1.00 33.31 C ATOM 899 C ARG A 56 -20.587 -13.887 -2.465 1.00 14.31 C ATOM 900 O ARG A 56 -20.887 -12.821 -2.993 1.00 41.51 O ATOM 901 CB ARG A 56 -21.777 -15.751 -3.629 1.00 13.23 C ATOM 902 CG ARG A 56 -22.452 -17.112 -3.504 1.00 54.04 C ATOM 903 CD ARG A 56 -21.642 -18.055 -2.623 1.00 2.33 C ATOM 904 NE ARG A 56 -22.148 -19.432 -2.624 1.00 30.41 N ATOM 905 CZ ARG A 56 -23.222 -19.844 -1.947 1.00 3.42 C ATOM 906 NH1 ARG A 56 -23.990 -18.966 -1.309 1.00 31.21 N ATOM 907 NH2 ARG A 56 -23.531 -21.135 -1.918 1.00 23.25 N ATOM 0 H ARG A 56 -23.597 -14.373 -2.589 1.00 25.24 H new ATOM 0 HA ARG A 56 -21.280 -15.703 -1.546 1.00 33.31 H new ATOM 0 HB2 ARG A 56 -22.356 -15.134 -4.316 1.00 13.23 H new ATOM 0 HB3 ARG A 56 -20.792 -15.888 -4.076 1.00 13.23 H new ATOM 0 HG2 ARG A 56 -23.450 -16.988 -3.085 1.00 54.04 H new ATOM 0 HG3 ARG A 56 -22.574 -17.552 -4.494 1.00 54.04 H new ATOM 0 HD2 ARG A 56 -20.606 -18.056 -2.961 1.00 2.33 H new ATOM 0 HD3 ARG A 56 -21.643 -17.676 -1.601 1.00 2.33 H new ATOM 0 HE ARG A 56 -21.644 -20.122 -3.181 1.00 30.41 H new ATOM 0 HH11 ARG A 56 -23.759 -17.973 -1.336 1.00 31.21 H new ATOM 0 HH12 ARG A 56 -24.810 -19.286 -0.793 1.00 31.21 H new ATOM 0 HH21 ARG A 56 -22.948 -21.810 -2.413 1.00 23.25 H new ATOM 0 HH22 ARG A 56 -24.351 -21.452 -1.401 1.00 23.25 H new ATOM 921 N VAL A 57 -19.375 -14.144 -2.013 1.00 3.33 N ATOM 922 CA VAL A 57 -18.327 -13.146 -2.044 1.00 52.12 C ATOM 923 C VAL A 57 -17.103 -13.661 -2.790 1.00 24.11 C ATOM 924 O VAL A 57 -16.970 -14.859 -3.041 1.00 33.31 O ATOM 925 CB VAL A 57 -17.917 -12.706 -0.621 1.00 3.33 C ATOM 926 CG1 VAL A 57 -19.056 -11.961 0.063 1.00 32.24 C ATOM 927 CG2 VAL A 57 -17.490 -13.908 0.210 1.00 24.41 C ATOM 0 H VAL A 57 -19.092 -15.041 -1.618 1.00 3.33 H new ATOM 0 HA VAL A 57 -18.729 -12.281 -2.571 1.00 52.12 H new ATOM 0 HB VAL A 57 -17.068 -12.028 -0.707 1.00 3.33 H new ATOM 0 HG11 VAL A 57 -18.745 -11.661 1.064 1.00 32.24 H new ATOM 0 HG12 VAL A 57 -19.313 -11.075 -0.518 1.00 32.24 H new ATOM 0 HG13 VAL A 57 -19.927 -12.613 0.134 1.00 32.24 H new ATOM 0 HG21 VAL A 57 -17.205 -13.577 1.209 1.00 24.41 H new ATOM 0 HG22 VAL A 57 -18.319 -14.612 0.284 1.00 24.41 H new ATOM 0 HG23 VAL A 57 -16.640 -14.396 -0.267 1.00 24.41 H new ATOM 937 N LEU A 58 -16.217 -12.747 -3.143 1.00 64.30 N ATOM 938 CA LEU A 58 -14.992 -13.095 -3.835 1.00 45.44 C ATOM 939 C LEU A 58 -13.817 -12.962 -2.883 1.00 22.32 C ATOM 940 O LEU A 58 -13.499 -11.861 -2.428 1.00 53.24 O ATOM 941 CB LEU A 58 -14.793 -12.186 -5.050 1.00 2.24 C ATOM 942 CG LEU A 58 -13.492 -12.402 -5.831 1.00 1.10 C ATOM 943 CD1 LEU A 58 -13.432 -13.805 -6.417 1.00 3.25 C ATOM 944 CD2 LEU A 58 -13.352 -11.358 -6.928 1.00 45.22 C ATOM 0 H LEU A 58 -16.326 -11.750 -2.959 1.00 64.30 H new ATOM 0 HA LEU A 58 -15.058 -14.126 -4.182 1.00 45.44 H new ATOM 0 HB2 LEU A 58 -15.632 -12.329 -5.730 1.00 2.24 H new ATOM 0 HB3 LEU A 58 -14.827 -11.149 -4.715 1.00 2.24 H new ATOM 0 HG LEU A 58 -12.658 -12.292 -5.137 1.00 1.10 H new ATOM 0 HD11 LEU A 58 -12.499 -13.931 -6.966 1.00 3.25 H new ATOM 0 HD12 LEU A 58 -13.481 -14.538 -5.612 1.00 3.25 H new ATOM 0 HD13 LEU A 58 -14.273 -13.953 -7.094 1.00 3.25 H new ATOM 0 HD21 LEU A 58 -12.423 -11.525 -7.473 1.00 45.22 H new ATOM 0 HD22 LEU A 58 -14.195 -11.436 -7.615 1.00 45.22 H new ATOM 0 HD23 LEU A 58 -13.338 -10.363 -6.484 1.00 45.22 H new ATOM 956 N VAL A 59 -13.193 -14.082 -2.569 1.00 15.30 N ATOM 957 CA VAL A 59 -12.077 -14.092 -1.649 1.00 24.22 C ATOM 958 C VAL A 59 -10.806 -14.547 -2.354 1.00 12.11 C ATOM 959 O VAL A 59 -10.716 -15.670 -2.852 1.00 24.00 O ATOM 960 CB VAL A 59 -12.358 -14.980 -0.410 1.00 52.44 C ATOM 961 CG1 VAL A 59 -12.848 -16.362 -0.812 1.00 34.32 C ATOM 962 CG2 VAL A 59 -11.118 -15.086 0.470 1.00 15.14 C ATOM 0 H VAL A 59 -13.443 -14.998 -2.940 1.00 15.30 H new ATOM 0 HA VAL A 59 -11.937 -13.071 -1.295 1.00 24.22 H new ATOM 0 HB VAL A 59 -13.152 -14.501 0.164 1.00 52.44 H new ATOM 0 HG11 VAL A 59 -13.035 -16.956 0.082 1.00 34.32 H new ATOM 0 HG12 VAL A 59 -13.771 -16.269 -1.385 1.00 34.32 H new ATOM 0 HG13 VAL A 59 -12.090 -16.853 -1.423 1.00 34.32 H new ATOM 0 HG21 VAL A 59 -11.337 -15.714 1.334 1.00 15.14 H new ATOM 0 HG22 VAL A 59 -10.303 -15.528 -0.102 1.00 15.14 H new ATOM 0 HG23 VAL A 59 -10.826 -14.092 0.809 1.00 15.14 H new ATOM 972 N GLU A 60 -9.842 -13.649 -2.429 1.00 64.45 N ATOM 973 CA GLU A 60 -8.550 -13.974 -2.994 1.00 25.00 C ATOM 974 C GLU A 60 -7.509 -14.031 -1.885 1.00 54.23 C ATOM 975 O GLU A 60 -7.265 -13.040 -1.185 1.00 11.45 O ATOM 976 CB GLU A 60 -8.162 -12.965 -4.087 1.00 74.34 C ATOM 977 CG GLU A 60 -8.242 -11.507 -3.662 1.00 31.24 C ATOM 978 CD GLU A 60 -7.914 -10.550 -4.792 1.00 0.43 C ATOM 979 OE1 GLU A 60 -8.846 -9.908 -5.324 1.00 41.43 O ATOM 980 OE2 GLU A 60 -6.723 -10.424 -5.142 1.00 12.40 O ATOM 0 H GLU A 60 -9.932 -12.686 -2.104 1.00 64.45 H new ATOM 0 HA GLU A 60 -8.601 -14.954 -3.468 1.00 25.00 H new ATOM 0 HB2 GLU A 60 -7.145 -13.179 -4.415 1.00 74.34 H new ATOM 0 HB3 GLU A 60 -8.813 -13.115 -4.948 1.00 74.34 H new ATOM 0 HG2 GLU A 60 -9.245 -11.295 -3.291 1.00 31.24 H new ATOM 0 HG3 GLU A 60 -7.554 -11.336 -2.835 1.00 31.24 H new ATOM 987 N MET A 61 -6.923 -15.204 -1.705 1.00 41.33 N ATOM 988 CA MET A 61 -5.941 -15.415 -0.657 1.00 3.10 C ATOM 989 C MET A 61 -4.727 -16.154 -1.208 1.00 41.53 C ATOM 990 O MET A 61 -4.805 -16.846 -2.228 1.00 14.41 O ATOM 991 CB MET A 61 -6.548 -16.195 0.521 1.00 3.35 C ATOM 992 CG MET A 61 -6.812 -17.670 0.237 1.00 63.21 C ATOM 993 SD MET A 61 -8.090 -17.945 -1.008 1.00 35.12 S ATOM 994 CE MET A 61 -8.113 -19.734 -1.078 1.00 51.33 C ATOM 0 H MET A 61 -7.113 -16.028 -2.275 1.00 41.33 H new ATOM 0 HA MET A 61 -5.624 -14.438 -0.291 1.00 3.10 H new ATOM 0 HB2 MET A 61 -5.876 -16.118 1.376 1.00 3.35 H new ATOM 0 HB3 MET A 61 -7.486 -15.720 0.809 1.00 3.35 H new ATOM 0 HG2 MET A 61 -5.886 -18.140 -0.094 1.00 63.21 H new ATOM 0 HG3 MET A 61 -7.106 -18.163 1.163 1.00 63.21 H new ATOM 0 HE1 MET A 61 -8.856 -20.060 -1.806 1.00 51.33 H new ATOM 0 HE2 MET A 61 -7.130 -20.099 -1.374 1.00 51.33 H new ATOM 0 HE3 MET A 61 -8.368 -20.133 -0.096 1.00 51.33 H new ATOM 1004 N SER A 62 -3.600 -15.992 -0.546 1.00 22.20 N ATOM 1005 CA SER A 62 -2.378 -16.644 -0.963 1.00 32.42 C ATOM 1006 C SER A 62 -2.144 -17.882 -0.110 1.00 51.22 C ATOM 1007 O SER A 62 -1.957 -17.778 1.096 1.00 0.01 O ATOM 1008 CB SER A 62 -1.208 -15.671 -0.823 1.00 23.11 C ATOM 1009 OG SER A 62 -1.524 -14.409 -1.392 1.00 64.10 O ATOM 0 H SER A 62 -3.506 -15.411 0.287 1.00 22.20 H new ATOM 0 HA SER A 62 -2.461 -16.948 -2.007 1.00 32.42 H new ATOM 0 HB2 SER A 62 -0.958 -15.546 0.231 1.00 23.11 H new ATOM 0 HB3 SER A 62 -0.326 -16.084 -1.313 1.00 23.11 H new ATOM 0 HG SER A 62 -1.117 -13.697 -0.855 1.00 64.10 H new ATOM 1015 N ILE A 63 -2.109 -19.045 -0.745 1.00 21.34 N ATOM 1016 CA ILE A 63 -1.997 -20.318 -0.030 1.00 65.23 C ATOM 1017 C ILE A 63 -0.577 -20.515 0.518 1.00 4.21 C ATOM 1018 O ILE A 63 -0.257 -21.540 1.118 1.00 73.31 O ATOM 1019 CB ILE A 63 -2.364 -21.500 -0.960 1.00 71.54 C ATOM 1020 CG1 ILE A 63 -3.621 -21.165 -1.768 1.00 53.44 C ATOM 1021 CG2 ILE A 63 -2.589 -22.777 -0.159 1.00 60.33 C ATOM 1022 CD1 ILE A 63 -3.992 -22.230 -2.779 1.00 10.54 C ATOM 0 H ILE A 63 -2.157 -19.138 -1.760 1.00 21.34 H new ATOM 0 HA ILE A 63 -2.696 -20.292 0.806 1.00 65.23 H new ATOM 0 HB ILE A 63 -1.530 -21.665 -1.642 1.00 71.54 H new ATOM 0 HG12 ILE A 63 -4.456 -21.020 -1.082 1.00 53.44 H new ATOM 0 HG13 ILE A 63 -3.468 -20.219 -2.288 1.00 53.44 H new ATOM 0 HG21 ILE A 63 -2.845 -23.591 -0.837 1.00 60.33 H new ATOM 0 HG22 ILE A 63 -1.679 -23.030 0.385 1.00 60.33 H new ATOM 0 HG23 ILE A 63 -3.404 -22.624 0.549 1.00 60.33 H new ATOM 0 HD11 ILE A 63 -4.891 -21.926 -3.314 1.00 10.54 H new ATOM 0 HD12 ILE A 63 -3.174 -22.359 -3.488 1.00 10.54 H new ATOM 0 HD13 ILE A 63 -4.178 -23.172 -2.263 1.00 10.54 H new ATOM 1034 N TYR A 64 0.265 -19.509 0.322 1.00 32.41 N ATOM 1035 CA TYR A 64 1.669 -19.594 0.693 1.00 51.50 C ATOM 1036 C TYR A 64 1.860 -19.601 2.211 1.00 1.31 C ATOM 1037 O TYR A 64 2.145 -20.644 2.797 1.00 53.13 O ATOM 1038 CB TYR A 64 2.453 -18.443 0.058 1.00 33.30 C ATOM 1039 CG TYR A 64 2.302 -18.381 -1.446 1.00 72.45 C ATOM 1040 CD1 TYR A 64 2.690 -19.450 -2.244 1.00 13.12 C ATOM 1041 CD2 TYR A 64 1.761 -17.262 -2.066 1.00 62.33 C ATOM 1042 CE1 TYR A 64 2.544 -19.406 -3.617 1.00 30.21 C ATOM 1043 CE2 TYR A 64 1.614 -17.209 -3.440 1.00 63.41 C ATOM 1044 CZ TYR A 64 2.006 -18.285 -4.210 1.00 14.40 C ATOM 1045 OH TYR A 64 1.855 -18.240 -5.576 1.00 65.23 O ATOM 0 H TYR A 64 -0.004 -18.618 -0.095 1.00 32.41 H new ATOM 0 HA TYR A 64 2.054 -20.541 0.314 1.00 51.50 H new ATOM 0 HB2 TYR A 64 2.117 -17.500 0.490 1.00 33.30 H new ATOM 0 HB3 TYR A 64 3.509 -18.549 0.307 1.00 33.30 H new ATOM 0 HD1 TYR A 64 3.113 -20.330 -1.783 1.00 13.12 H new ATOM 0 HD2 TYR A 64 1.450 -16.420 -1.465 1.00 62.33 H new ATOM 0 HE1 TYR A 64 2.850 -20.246 -4.222 1.00 30.21 H new ATOM 0 HE2 TYR A 64 1.195 -16.330 -3.908 1.00 63.41 H new ATOM 0 HH TYR A 64 1.460 -17.381 -5.833 1.00 65.23 H new ATOM 1055 N ASP A 65 1.695 -18.450 2.858 1.00 25.43 N ATOM 1056 CA ASP A 65 1.992 -18.366 4.288 1.00 15.53 C ATOM 1057 C ASP A 65 1.113 -17.363 5.037 1.00 1.43 C ATOM 1058 O ASP A 65 0.248 -17.749 5.820 1.00 20.44 O ATOM 1059 CB ASP A 65 3.465 -17.998 4.483 1.00 11.14 C ATOM 1060 CG ASP A 65 3.817 -17.777 5.938 1.00 33.54 C ATOM 1061 OD1 ASP A 65 3.950 -18.773 6.679 1.00 2.24 O ATOM 1062 OD2 ASP A 65 3.971 -16.605 6.344 1.00 12.52 O ATOM 0 H ASP A 65 1.367 -17.584 2.431 1.00 25.43 H new ATOM 0 HA ASP A 65 1.776 -19.348 4.710 1.00 15.53 H new ATOM 0 HB2 ASP A 65 4.092 -18.792 4.077 1.00 11.14 H new ATOM 0 HB3 ASP A 65 3.689 -17.094 3.917 1.00 11.14 H new ATOM 1067 N ARG A 66 1.333 -16.082 4.795 1.00 40.42 N ATOM 1068 CA ARG A 66 0.682 -15.037 5.585 1.00 3.23 C ATOM 1069 C ARG A 66 -0.748 -14.781 5.132 1.00 43.53 C ATOM 1070 O ARG A 66 -1.674 -14.799 5.938 1.00 22.21 O ATOM 1071 CB ARG A 66 1.492 -13.730 5.571 1.00 3.31 C ATOM 1072 CG ARG A 66 2.048 -13.320 4.211 1.00 54.41 C ATOM 1073 CD ARG A 66 3.324 -14.076 3.882 1.00 14.25 C ATOM 1074 NE ARG A 66 4.014 -13.531 2.720 1.00 1.32 N ATOM 1075 CZ ARG A 66 5.304 -13.201 2.719 1.00 31.24 C ATOM 1076 NH1 ARG A 66 6.024 -13.331 3.830 1.00 33.33 N ATOM 1077 NH2 ARG A 66 5.866 -12.741 1.609 1.00 31.14 N ATOM 0 H ARG A 66 1.953 -15.736 4.063 1.00 40.42 H new ATOM 0 HA ARG A 66 0.643 -15.405 6.610 1.00 3.23 H new ATOM 0 HB2 ARG A 66 0.858 -12.925 5.943 1.00 3.31 H new ATOM 0 HB3 ARG A 66 2.323 -13.830 6.269 1.00 3.31 H new ATOM 0 HG2 ARG A 66 1.302 -13.510 3.439 1.00 54.41 H new ATOM 0 HG3 ARG A 66 2.247 -12.248 4.206 1.00 54.41 H new ATOM 0 HD2 ARG A 66 3.992 -14.047 4.743 1.00 14.25 H new ATOM 0 HD3 ARG A 66 3.085 -15.124 3.700 1.00 14.25 H new ATOM 0 HE ARG A 66 3.480 -13.395 1.861 1.00 1.32 H new ATOM 0 HH11 ARG A 66 5.588 -13.683 4.682 1.00 33.33 H new ATOM 0 HH12 ARG A 66 7.012 -13.078 3.830 1.00 33.33 H new ATOM 0 HH21 ARG A 66 5.310 -12.641 0.760 1.00 31.14 H new ATOM 0 HH22 ARG A 66 6.854 -12.487 1.605 1.00 31.14 H new ATOM 1091 N ASN A 67 -0.930 -14.579 3.839 1.00 0.32 N ATOM 1092 CA ASN A 67 -2.247 -14.284 3.288 1.00 62.33 C ATOM 1093 C ASN A 67 -3.042 -15.580 3.104 1.00 45.31 C ATOM 1094 O ASN A 67 -3.920 -15.666 2.253 1.00 42.13 O ATOM 1095 CB ASN A 67 -2.095 -13.549 1.949 1.00 54.54 C ATOM 1096 CG ASN A 67 -3.348 -12.796 1.534 1.00 53.11 C ATOM 1097 OD1 ASN A 67 -4.082 -12.267 2.373 1.00 64.01 O ATOM 1098 ND2 ASN A 67 -3.596 -12.737 0.234 1.00 54.30 N ATOM 0 H ASN A 67 -0.182 -14.613 3.147 1.00 0.32 H new ATOM 0 HA ASN A 67 -2.792 -13.642 3.980 1.00 62.33 H new ATOM 0 HB2 ASN A 67 -1.264 -12.847 2.019 1.00 54.54 H new ATOM 0 HB3 ASN A 67 -1.839 -14.270 1.173 1.00 54.54 H new ATOM 0 HD21 ASN A 67 -4.419 -12.240 -0.106 1.00 54.30 H new ATOM 0 HD22 ASN A 67 -2.963 -13.188 -0.427 1.00 54.30 H new ATOM 1105 N ALA A 68 -2.707 -16.587 3.910 1.00 4.43 N ATOM 1106 CA ALA A 68 -3.322 -17.906 3.807 1.00 44.00 C ATOM 1107 C ALA A 68 -4.439 -18.079 4.826 1.00 41.52 C ATOM 1108 O ALA A 68 -5.488 -18.635 4.514 1.00 51.43 O ATOM 1109 CB ALA A 68 -2.267 -18.989 3.994 1.00 3.24 C ATOM 0 H ALA A 68 -2.006 -16.511 4.647 1.00 4.43 H new ATOM 0 HA ALA A 68 -3.760 -17.998 2.813 1.00 44.00 H new ATOM 0 HB1 ALA A 68 -2.735 -19.970 3.916 1.00 3.24 H new ATOM 0 HB2 ALA A 68 -1.502 -18.889 3.224 1.00 3.24 H new ATOM 0 HB3 ALA A 68 -1.808 -18.884 4.977 1.00 3.24 H new ATOM 1115 N LYS A 69 -4.207 -17.605 6.047 1.00 24.00 N ATOM 1116 CA LYS A 69 -5.197 -17.745 7.110 1.00 72.43 C ATOM 1117 C LYS A 69 -6.440 -16.941 6.776 1.00 53.33 C ATOM 1118 O LYS A 69 -7.568 -17.405 6.953 1.00 22.21 O ATOM 1119 CB LYS A 69 -4.651 -17.276 8.465 1.00 32.41 C ATOM 1120 CG LYS A 69 -3.409 -18.012 8.944 1.00 10.43 C ATOM 1121 CD LYS A 69 -2.139 -17.396 8.382 1.00 25.44 C ATOM 1122 CE LYS A 69 -0.897 -18.013 9.001 1.00 14.44 C ATOM 1123 NZ LYS A 69 0.341 -17.342 8.529 1.00 40.04 N1+ ATOM 0 H LYS A 69 -3.350 -17.125 6.323 1.00 24.00 H new ATOM 0 HA LYS A 69 -5.442 -18.805 7.184 1.00 72.43 H new ATOM 0 HB2 LYS A 69 -4.423 -16.212 8.400 1.00 32.41 H new ATOM 0 HB3 LYS A 69 -5.434 -17.389 9.215 1.00 32.41 H new ATOM 0 HG2 LYS A 69 -3.372 -17.992 10.033 1.00 10.43 H new ATOM 0 HG3 LYS A 69 -3.469 -19.059 8.646 1.00 10.43 H new ATOM 0 HD2 LYS A 69 -2.114 -17.534 7.301 1.00 25.44 H new ATOM 0 HD3 LYS A 69 -2.143 -16.322 8.566 1.00 25.44 H new ATOM 0 HE2 LYS A 69 -0.958 -17.943 10.087 1.00 14.44 H new ATOM 0 HE3 LYS A 69 -0.854 -19.073 8.752 1.00 14.44 H new ATOM 0 HZ1 LYS A 69 1.158 -17.708 9.059 1.00 40.04 H new ATOM 0 HZ2 LYS A 69 0.473 -17.531 7.515 1.00 40.04 H new ATOM 0 HZ3 LYS A 69 0.260 -16.317 8.682 1.00 40.04 H new ATOM 1137 N LYS A 70 -6.220 -15.733 6.286 1.00 3.32 N ATOM 1138 CA LYS A 70 -7.306 -14.842 5.946 1.00 72.41 C ATOM 1139 C LYS A 70 -7.188 -14.395 4.499 1.00 34.22 C ATOM 1140 O LYS A 70 -6.089 -14.339 3.947 1.00 2.22 O ATOM 1141 CB LYS A 70 -7.330 -13.631 6.899 1.00 64.41 C ATOM 1142 CG LYS A 70 -6.032 -12.823 6.955 1.00 4.22 C ATOM 1143 CD LYS A 70 -5.875 -11.899 5.756 1.00 24.45 C ATOM 1144 CE LYS A 70 -4.535 -11.191 5.766 1.00 53.31 C ATOM 1145 NZ LYS A 70 -4.317 -10.405 4.523 1.00 54.44 N1+ ATOM 0 H LYS A 70 -5.291 -15.349 6.115 1.00 3.32 H new ATOM 0 HA LYS A 70 -8.248 -15.379 6.061 1.00 72.41 H new ATOM 0 HB2 LYS A 70 -8.140 -12.967 6.597 1.00 64.41 H new ATOM 0 HB3 LYS A 70 -7.564 -13.984 7.904 1.00 64.41 H new ATOM 0 HG2 LYS A 70 -6.013 -12.232 7.871 1.00 4.22 H new ATOM 0 HG3 LYS A 70 -5.183 -13.506 6.999 1.00 4.22 H new ATOM 0 HD2 LYS A 70 -5.975 -12.476 4.836 1.00 24.45 H new ATOM 0 HD3 LYS A 70 -6.677 -11.161 5.758 1.00 24.45 H new ATOM 0 HE2 LYS A 70 -4.481 -10.528 6.630 1.00 53.31 H new ATOM 0 HE3 LYS A 70 -3.737 -11.925 5.877 1.00 53.31 H new ATOM 0 HZ1 LYS A 70 -3.438 -9.855 4.609 1.00 54.44 H new ATOM 0 HZ2 LYS A 70 -4.242 -11.052 3.712 1.00 54.44 H new ATOM 0 HZ3 LYS A 70 -5.118 -9.757 4.377 1.00 54.44 H new ATOM 1159 N GLY A 71 -8.315 -14.079 3.893 1.00 11.54 N ATOM 1160 CA GLY A 71 -8.310 -13.566 2.545 1.00 44.14 C ATOM 1161 C GLY A 71 -8.879 -12.169 2.487 1.00 41.25 C ATOM 1162 O GLY A 71 -9.595 -11.750 3.399 1.00 63.11 O ATOM 0 H GLY A 71 -9.240 -14.169 4.313 1.00 11.54 H new ATOM 0 HA2 GLY A 71 -7.291 -13.562 2.159 1.00 44.14 H new ATOM 0 HA3 GLY A 71 -8.892 -14.225 1.901 1.00 44.14 H new ATOM 1166 N ARG A 72 -8.551 -11.437 1.435 1.00 24.23 N ATOM 1167 CA ARG A 72 -9.086 -10.100 1.258 1.00 70.14 C ATOM 1168 C ARG A 72 -10.335 -10.158 0.388 1.00 34.44 C ATOM 1169 O ARG A 72 -10.267 -10.405 -0.820 1.00 54.14 O ATOM 1170 CB ARG A 72 -8.029 -9.162 0.655 1.00 72.00 C ATOM 1171 CG ARG A 72 -7.430 -9.653 -0.653 1.00 72.42 C ATOM 1172 CD ARG A 72 -6.396 -8.683 -1.200 1.00 21.12 C ATOM 1173 NE ARG A 72 -5.945 -9.076 -2.532 1.00 2.10 N ATOM 1174 CZ ARG A 72 -4.835 -8.632 -3.119 1.00 51.30 C ATOM 1175 NH1 ARG A 72 -4.039 -7.770 -2.494 1.00 74.44 N ATOM 1176 NH2 ARG A 72 -4.532 -9.052 -4.339 1.00 41.12 N ATOM 0 H ARG A 72 -7.920 -11.745 0.695 1.00 24.23 H new ATOM 0 HA ARG A 72 -9.360 -9.696 2.232 1.00 70.14 H new ATOM 0 HB2 ARG A 72 -8.480 -8.184 0.490 1.00 72.00 H new ATOM 0 HB3 ARG A 72 -7.226 -9.025 1.380 1.00 72.00 H new ATOM 0 HG2 ARG A 72 -6.967 -10.628 -0.498 1.00 72.42 H new ATOM 0 HG3 ARG A 72 -8.224 -9.790 -1.387 1.00 72.42 H new ATOM 0 HD2 ARG A 72 -6.822 -7.680 -1.240 1.00 21.12 H new ATOM 0 HD3 ARG A 72 -5.542 -8.640 -0.524 1.00 21.12 H new ATOM 0 HE ARG A 72 -6.522 -9.739 -3.050 1.00 2.10 H new ATOM 0 HH11 ARG A 72 -4.276 -7.443 -1.557 1.00 74.44 H new ATOM 0 HH12 ARG A 72 -3.191 -7.435 -2.951 1.00 74.44 H new ATOM 0 HH21 ARG A 72 -5.147 -9.709 -4.819 1.00 41.12 H new ATOM 0 HH22 ARG A 72 -3.684 -8.718 -4.797 1.00 41.12 H new ATOM 1190 N ILE A 73 -11.479 -9.950 1.014 1.00 70.33 N ATOM 1191 CA ILE A 73 -12.752 -10.068 0.324 1.00 42.25 C ATOM 1192 C ILE A 73 -13.355 -8.702 0.047 1.00 61.25 C ATOM 1193 O ILE A 73 -13.362 -7.829 0.913 1.00 30.20 O ATOM 1194 CB ILE A 73 -13.765 -10.900 1.143 1.00 70.31 C ATOM 1195 CG1 ILE A 73 -13.220 -12.305 1.398 1.00 63.31 C ATOM 1196 CG2 ILE A 73 -15.102 -10.974 0.423 1.00 34.41 C ATOM 1197 CD1 ILE A 73 -14.165 -13.198 2.175 1.00 24.11 C ATOM 0 H ILE A 73 -11.553 -9.698 2.000 1.00 70.33 H new ATOM 0 HA ILE A 73 -12.550 -10.575 -0.619 1.00 42.25 H new ATOM 0 HB ILE A 73 -13.917 -10.407 2.103 1.00 70.31 H new ATOM 0 HG12 ILE A 73 -12.995 -12.776 0.441 1.00 63.31 H new ATOM 0 HG13 ILE A 73 -12.280 -12.226 1.943 1.00 63.31 H new ATOM 0 HG21 ILE A 73 -15.802 -11.564 1.015 1.00 34.41 H new ATOM 0 HG22 ILE A 73 -15.499 -9.968 0.288 1.00 34.41 H new ATOM 0 HG23 ILE A 73 -14.965 -11.444 -0.551 1.00 34.41 H new ATOM 0 HD11 ILE A 73 -13.707 -14.177 2.316 1.00 24.11 H new ATOM 0 HD12 ILE A 73 -14.371 -12.751 3.147 1.00 24.11 H new ATOM 0 HD13 ILE A 73 -15.098 -13.310 1.622 1.00 24.11 H new ATOM 1209 N ILE A 74 -13.842 -8.518 -1.170 1.00 63.20 N ATOM 1210 CA ILE A 74 -14.605 -7.331 -1.497 1.00 23.42 C ATOM 1211 C ILE A 74 -16.081 -7.700 -1.680 1.00 61.12 C ATOM 1212 O ILE A 74 -16.915 -7.345 -0.852 1.00 34.41 O ATOM 1213 CB ILE A 74 -14.037 -6.616 -2.757 1.00 33.33 C ATOM 1214 CG1 ILE A 74 -15.023 -5.568 -3.286 1.00 23.42 C ATOM 1215 CG2 ILE A 74 -13.670 -7.621 -3.844 1.00 24.34 C ATOM 1216 CD1 ILE A 74 -14.493 -4.772 -4.462 1.00 44.05 C ATOM 0 H ILE A 74 -13.722 -9.174 -1.942 1.00 63.20 H new ATOM 0 HA ILE A 74 -14.521 -6.625 -0.671 1.00 23.42 H new ATOM 0 HB ILE A 74 -13.124 -6.099 -2.462 1.00 33.33 H new ATOM 0 HG12 ILE A 74 -15.946 -6.067 -3.583 1.00 23.42 H new ATOM 0 HG13 ILE A 74 -15.277 -4.881 -2.479 1.00 23.42 H new ATOM 0 HG21 ILE A 74 -13.276 -7.091 -4.711 1.00 24.34 H new ATOM 0 HG22 ILE A 74 -12.914 -8.308 -3.464 1.00 24.34 H new ATOM 0 HG23 ILE A 74 -14.558 -8.183 -4.134 1.00 24.34 H new ATOM 0 HD11 ILE A 74 -15.245 -4.051 -4.782 1.00 44.05 H new ATOM 0 HD12 ILE A 74 -13.587 -4.244 -4.165 1.00 44.05 H new ATOM 0 HD13 ILE A 74 -14.265 -5.448 -5.286 1.00 44.05 H new ATOM 1228 N ARG A 75 -16.383 -8.459 -2.731 1.00 51.13 N ATOM 1229 CA ARG A 75 -17.726 -8.980 -2.968 1.00 14.11 C ATOM 1230 C ARG A 75 -17.739 -9.689 -4.316 1.00 73.23 C ATOM 1231 O ARG A 75 -16.815 -9.516 -5.110 1.00 34.35 O ATOM 1232 CB ARG A 75 -18.777 -7.853 -2.943 1.00 75.42 C ATOM 1233 CG ARG A 75 -20.200 -8.346 -2.719 1.00 54.35 C ATOM 1234 CD ARG A 75 -21.073 -8.107 -3.938 1.00 43.42 C ATOM 1235 NE ARG A 75 -22.251 -8.971 -3.939 1.00 1.30 N ATOM 1236 CZ ARG A 75 -23.245 -8.884 -4.820 1.00 43.23 C ATOM 1237 NH1 ARG A 75 -23.251 -7.923 -5.736 1.00 64.30 N ATOM 1238 NH2 ARG A 75 -24.241 -9.761 -4.776 1.00 15.24 N ATOM 0 H ARG A 75 -15.703 -8.730 -3.442 1.00 51.13 H new ATOM 0 HA ARG A 75 -17.984 -9.680 -2.174 1.00 14.11 H new ATOM 0 HB2 ARG A 75 -18.519 -7.146 -2.155 1.00 75.42 H new ATOM 0 HB3 ARG A 75 -18.735 -7.309 -3.886 1.00 75.42 H new ATOM 0 HG2 ARG A 75 -20.184 -9.411 -2.485 1.00 54.35 H new ATOM 0 HG3 ARG A 75 -20.631 -7.837 -1.857 1.00 54.35 H new ATOM 0 HD2 ARG A 75 -21.387 -7.064 -3.961 1.00 43.42 H new ATOM 0 HD3 ARG A 75 -20.491 -8.285 -4.842 1.00 43.42 H new ATOM 0 HE ARG A 75 -22.316 -9.688 -3.217 1.00 1.30 H new ATOM 0 HH11 ARG A 75 -22.490 -7.244 -5.768 1.00 64.30 H new ATOM 0 HH12 ARG A 75 -24.016 -7.863 -6.408 1.00 64.30 H new ATOM 0 HH21 ARG A 75 -24.242 -10.497 -4.070 1.00 15.24 H new ATOM 0 HH22 ARG A 75 -25.005 -9.699 -5.449 1.00 15.24 H new ATOM 1252 N ARG A 76 -18.761 -10.489 -4.568 1.00 12.12 N ATOM 1253 CA ARG A 76 -18.929 -11.116 -5.870 1.00 14.05 C ATOM 1254 C ARG A 76 -19.335 -10.064 -6.895 1.00 4.31 C ATOM 1255 O ARG A 76 -20.255 -9.282 -6.653 1.00 70.31 O ATOM 1256 CB ARG A 76 -19.994 -12.222 -5.794 1.00 11.45 C ATOM 1257 CG ARG A 76 -20.584 -12.634 -7.139 1.00 54.05 C ATOM 1258 CD ARG A 76 -19.579 -13.360 -8.017 1.00 35.13 C ATOM 1259 NE ARG A 76 -20.065 -13.497 -9.391 1.00 41.31 N ATOM 1260 CZ ARG A 76 -20.084 -14.644 -10.069 1.00 62.33 C ATOM 1261 NH1 ARG A 76 -19.661 -15.766 -9.501 1.00 0.15 N ATOM 1262 NH2 ARG A 76 -20.527 -14.667 -11.317 1.00 40.33 N ATOM 0 H ARG A 76 -19.487 -10.720 -3.890 1.00 12.12 H new ATOM 0 HA ARG A 76 -17.984 -11.566 -6.174 1.00 14.05 H new ATOM 0 HB2 ARG A 76 -19.553 -13.100 -5.322 1.00 11.45 H new ATOM 0 HB3 ARG A 76 -20.803 -11.884 -5.146 1.00 11.45 H new ATOM 0 HG2 ARG A 76 -21.447 -13.278 -6.971 1.00 54.05 H new ATOM 0 HG3 ARG A 76 -20.944 -11.748 -7.661 1.00 54.05 H new ATOM 0 HD2 ARG A 76 -18.635 -12.816 -8.017 1.00 35.13 H new ATOM 0 HD3 ARG A 76 -19.378 -14.347 -7.601 1.00 35.13 H new ATOM 0 HE ARG A 76 -20.412 -12.660 -9.860 1.00 41.31 H new ATOM 0 HH11 ARG A 76 -19.319 -15.754 -8.540 1.00 0.15 H new ATOM 0 HH12 ARG A 76 -19.678 -16.641 -10.025 1.00 0.15 H new ATOM 0 HH21 ARG A 76 -20.853 -13.807 -11.758 1.00 40.33 H new ATOM 0 HH22 ARG A 76 -20.542 -15.544 -11.837 1.00 40.33 H new ATOM 1276 N LEU A 77 -18.634 -10.027 -8.020 1.00 44.42 N ATOM 1277 CA LEU A 77 -18.999 -9.122 -9.098 1.00 43.45 C ATOM 1278 C LEU A 77 -20.425 -9.415 -9.551 1.00 41.11 C ATOM 1279 O LEU A 77 -20.835 -10.579 -9.607 1.00 4.45 O ATOM 1280 CB LEU A 77 -17.989 -9.215 -10.253 1.00 10.43 C ATOM 1281 CG LEU A 77 -17.553 -10.626 -10.662 1.00 33.53 C ATOM 1282 CD1 LEU A 77 -18.530 -11.233 -11.654 1.00 42.45 C ATOM 1283 CD2 LEU A 77 -16.147 -10.598 -11.244 1.00 23.14 C ATOM 0 H LEU A 77 -17.817 -10.608 -8.208 1.00 44.42 H new ATOM 0 HA LEU A 77 -18.967 -8.094 -8.737 1.00 43.45 H new ATOM 0 HB2 LEU A 77 -18.421 -8.724 -11.125 1.00 10.43 H new ATOM 0 HB3 LEU A 77 -17.100 -8.649 -9.976 1.00 10.43 H new ATOM 0 HG LEU A 77 -17.548 -11.252 -9.770 1.00 33.53 H new ATOM 0 HD11 LEU A 77 -18.196 -12.234 -11.927 1.00 42.45 H new ATOM 0 HD12 LEU A 77 -19.520 -11.291 -11.201 1.00 42.45 H new ATOM 0 HD13 LEU A 77 -18.576 -10.610 -12.547 1.00 42.45 H new ATOM 0 HD21 LEU A 77 -15.851 -11.607 -11.530 1.00 23.14 H new ATOM 0 HD22 LEU A 77 -16.129 -9.952 -12.122 1.00 23.14 H new ATOM 0 HD23 LEU A 77 -15.452 -10.214 -10.497 1.00 23.14 H new ATOM 1295 N LYS A 78 -21.174 -8.352 -9.840 1.00 64.25 N ATOM 1296 CA LYS A 78 -22.615 -8.444 -10.070 1.00 71.43 C ATOM 1297 C LYS A 78 -22.975 -9.581 -11.021 1.00 0.33 C ATOM 1298 O LYS A 78 -22.336 -9.771 -12.061 1.00 31.14 O ATOM 1299 CB LYS A 78 -23.172 -7.111 -10.578 1.00 35.22 C ATOM 1300 CG LYS A 78 -23.407 -6.081 -9.477 1.00 54.44 C ATOM 1301 CD LYS A 78 -22.106 -5.588 -8.858 1.00 25.25 C ATOM 1302 CE LYS A 78 -21.365 -4.630 -9.782 1.00 51.42 C ATOM 1303 NZ LYS A 78 -22.129 -3.373 -10.014 1.00 61.13 N1+ ATOM 0 H LYS A 78 -20.801 -7.406 -9.921 1.00 64.25 H new ATOM 0 HA LYS A 78 -23.079 -8.670 -9.110 1.00 71.43 H new ATOM 0 HB2 LYS A 78 -22.480 -6.695 -11.310 1.00 35.22 H new ATOM 0 HB3 LYS A 78 -24.113 -7.295 -11.097 1.00 35.22 H new ATOM 0 HG2 LYS A 78 -23.956 -5.233 -9.887 1.00 54.44 H new ATOM 0 HG3 LYS A 78 -24.033 -6.520 -8.700 1.00 54.44 H new ATOM 0 HD2 LYS A 78 -22.320 -5.089 -7.913 1.00 25.25 H new ATOM 0 HD3 LYS A 78 -21.466 -6.441 -8.630 1.00 25.25 H new ATOM 0 HE2 LYS A 78 -20.394 -4.389 -9.350 1.00 51.42 H new ATOM 0 HE3 LYS A 78 -21.177 -5.121 -10.737 1.00 51.42 H new ATOM 0 HZ1 LYS A 78 -21.488 -2.640 -10.380 1.00 61.13 H new ATOM 0 HZ2 LYS A 78 -22.885 -3.549 -10.706 1.00 61.13 H new ATOM 0 HZ3 LYS A 78 -22.548 -3.051 -9.118 1.00 61.13 H new ATOM 1317 N GLY A 79 -24.011 -10.322 -10.641 1.00 2.13 N ATOM 1318 CA GLY A 79 -24.358 -11.563 -11.306 1.00 33.21 C ATOM 1319 C GLY A 79 -24.651 -11.415 -12.782 1.00 72.12 C ATOM 1320 O GLY A 79 -25.367 -10.507 -13.205 1.00 32.52 O ATOM 0 H GLY A 79 -24.628 -10.077 -9.867 1.00 2.13 H new ATOM 0 HA2 GLY A 79 -23.539 -12.271 -11.179 1.00 33.21 H new ATOM 0 HA3 GLY A 79 -25.231 -11.993 -10.815 1.00 33.21 H new ATOM 1324 N THR A 80 -24.072 -12.311 -13.562 1.00 40.14 N ATOM 1325 CA THR A 80 -24.342 -12.388 -14.983 1.00 70.05 C ATOM 1326 C THR A 80 -25.585 -13.247 -15.231 1.00 50.33 C ATOM 1327 O THR A 80 -26.404 -12.936 -16.096 1.00 45.23 O ATOM 1328 CB THR A 80 -23.117 -12.960 -15.740 1.00 23.02 C ATOM 1329 OG1 THR A 80 -23.382 -13.065 -17.145 1.00 41.45 O ATOM 1330 CG2 THR A 80 -22.718 -14.326 -15.197 1.00 12.14 C ATOM 0 H THR A 80 -23.403 -13.004 -13.227 1.00 40.14 H new ATOM 0 HA THR A 80 -24.531 -11.384 -15.362 1.00 70.05 H new ATOM 0 HB THR A 80 -22.292 -12.265 -15.584 1.00 23.02 H new ATOM 0 HG1 THR A 80 -22.593 -13.427 -17.600 1.00 41.45 H new ATOM 0 HG21 THR A 80 -21.856 -14.699 -15.749 1.00 12.14 H new ATOM 0 HG22 THR A 80 -22.462 -14.237 -14.141 1.00 12.14 H new ATOM 0 HG23 THR A 80 -23.550 -15.020 -15.311 1.00 12.14 H new ATOM 1338 N SER A 81 -25.729 -14.308 -14.438 1.00 33.01 N ATOM 1339 CA SER A 81 -26.874 -15.204 -14.525 1.00 72.20 C ATOM 1340 C SER A 81 -27.158 -15.802 -13.151 1.00 41.43 C ATOM 1341 O SER A 81 -26.230 -16.069 -12.387 1.00 14.22 O ATOM 1342 CB SER A 81 -26.606 -16.327 -15.532 1.00 22.13 C ATOM 1343 OG SER A 81 -26.325 -15.814 -16.820 1.00 52.41 O ATOM 0 H SER A 81 -25.054 -14.568 -13.719 1.00 33.01 H new ATOM 0 HA SER A 81 -27.739 -14.634 -14.864 1.00 72.20 H new ATOM 0 HB2 SER A 81 -25.766 -16.931 -15.189 1.00 22.13 H new ATOM 0 HB3 SER A 81 -27.473 -16.986 -15.583 1.00 22.13 H new ATOM 0 HG SER A 81 -26.157 -16.556 -17.438 1.00 52.41 H new ATOM 1349 N ASP A 82 -28.429 -15.996 -12.831 1.00 1.12 N ATOM 1350 CA ASP A 82 -28.812 -16.569 -11.541 1.00 32.12 C ATOM 1351 C ASP A 82 -28.961 -18.081 -11.638 1.00 33.15 C ATOM 1352 O ASP A 82 -28.829 -18.787 -10.637 1.00 2.35 O ATOM 1353 CB ASP A 82 -30.119 -15.952 -11.030 1.00 13.35 C ATOM 1354 CG ASP A 82 -29.942 -14.530 -10.535 1.00 45.41 C ATOM 1355 OD1 ASP A 82 -29.871 -13.606 -11.374 1.00 22.41 O ATOM 1356 OD2 ASP A 82 -29.865 -14.327 -9.304 1.00 72.10 O ATOM 0 H ASP A 82 -29.213 -15.767 -13.442 1.00 1.12 H new ATOM 0 HA ASP A 82 -28.016 -16.339 -10.833 1.00 32.12 H new ATOM 0 HB2 ASP A 82 -30.859 -15.964 -11.831 1.00 13.35 H new ATOM 0 HB3 ASP A 82 -30.514 -16.567 -10.222 1.00 13.35 H new ATOM 1361 N ARG A 83 -29.241 -18.562 -12.851 1.00 3.41 N ATOM 1362 CA ARG A 83 -29.452 -19.989 -13.120 1.00 34.22 C ATOM 1363 C ARG A 83 -30.758 -20.478 -12.493 1.00 21.15 C ATOM 1364 O ARG A 83 -31.711 -20.804 -13.200 1.00 71.34 O ATOM 1365 CB ARG A 83 -28.268 -20.838 -12.625 1.00 2.54 C ATOM 1366 CG ARG A 83 -26.975 -20.593 -13.388 1.00 10.33 C ATOM 1367 CD ARG A 83 -25.827 -21.412 -12.819 1.00 10.35 C ATOM 1368 NE ARG A 83 -24.605 -21.269 -13.609 1.00 45.25 N ATOM 1369 CZ ARG A 83 -23.375 -21.363 -13.107 1.00 72.04 C ATOM 1370 NH1 ARG A 83 -23.192 -21.536 -11.800 1.00 40.42 N ATOM 1371 NH2 ARG A 83 -22.326 -21.272 -13.914 1.00 42.21 N ATOM 0 H ARG A 83 -29.328 -17.972 -13.678 1.00 3.41 H new ATOM 0 HA ARG A 83 -29.522 -20.108 -14.201 1.00 34.22 H new ATOM 0 HB2 ARG A 83 -28.100 -20.630 -11.568 1.00 2.54 H new ATOM 0 HB3 ARG A 83 -28.531 -21.893 -12.704 1.00 2.54 H new ATOM 0 HG2 ARG A 83 -27.118 -20.846 -14.439 1.00 10.33 H new ATOM 0 HG3 ARG A 83 -26.723 -19.533 -13.347 1.00 10.33 H new ATOM 0 HD2 ARG A 83 -25.633 -21.100 -11.793 1.00 10.35 H new ATOM 0 HD3 ARG A 83 -26.114 -22.463 -12.784 1.00 10.35 H new ATOM 0 HE ARG A 83 -24.701 -21.086 -14.608 1.00 45.25 H new ATOM 0 HH11 ARG A 83 -23.997 -21.597 -11.176 1.00 40.42 H new ATOM 0 HH12 ARG A 83 -22.247 -21.607 -11.422 1.00 40.42 H new ATOM 0 HH21 ARG A 83 -22.463 -21.131 -14.915 1.00 42.21 H new ATOM 0 HH22 ARG A 83 -21.382 -21.343 -13.534 1.00 42.21 H new ATOM 1385 N THR A 84 -30.802 -20.504 -11.170 1.00 21.12 N ATOM 1386 CA THR A 84 -31.980 -20.949 -10.440 1.00 51.31 C ATOM 1387 C THR A 84 -31.777 -20.740 -8.938 1.00 71.21 C ATOM 1388 O THR A 84 -32.692 -20.299 -8.240 1.00 35.05 O ATOM 1389 CB THR A 84 -32.318 -22.435 -10.743 1.00 70.14 C ATOM 1390 OG1 THR A 84 -33.453 -22.857 -9.978 1.00 13.42 O ATOM 1391 CG2 THR A 84 -31.138 -23.356 -10.451 1.00 60.35 C ATOM 0 H THR A 84 -30.025 -20.218 -10.573 1.00 21.12 H new ATOM 0 HA THR A 84 -32.826 -20.348 -10.773 1.00 51.31 H new ATOM 0 HB THR A 84 -32.548 -22.502 -11.806 1.00 70.14 H new ATOM 0 HG1 THR A 84 -33.654 -23.794 -10.181 1.00 13.42 H new ATOM 0 HG21 THR A 84 -31.416 -24.386 -10.676 1.00 60.35 H new ATOM 0 HG22 THR A 84 -30.288 -23.066 -11.069 1.00 60.35 H new ATOM 0 HG23 THR A 84 -30.865 -23.275 -9.399 1.00 60.35 H new ATOM 1399 N ILE A 85 -30.554 -21.047 -8.470 1.00 31.24 N ATOM 1400 CA ILE A 85 -30.134 -20.882 -7.066 1.00 2.11 C ATOM 1401 C ILE A 85 -31.250 -21.176 -6.059 1.00 22.11 C ATOM 1402 O ILE A 85 -31.444 -20.437 -5.093 1.00 14.44 O ATOM 1403 CB ILE A 85 -29.527 -19.481 -6.790 1.00 25.24 C ATOM 1404 CG1 ILE A 85 -30.471 -18.353 -7.223 1.00 44.33 C ATOM 1405 CG2 ILE A 85 -28.184 -19.353 -7.492 1.00 13.04 C ATOM 1406 CD1 ILE A 85 -29.943 -16.965 -6.917 1.00 32.12 C ATOM 0 H ILE A 85 -29.817 -21.423 -9.067 1.00 31.24 H new ATOM 0 HA ILE A 85 -29.356 -21.631 -6.920 1.00 2.11 H new ATOM 0 HB ILE A 85 -29.383 -19.384 -5.714 1.00 25.24 H new ATOM 0 HG12 ILE A 85 -30.653 -18.435 -8.295 1.00 44.33 H new ATOM 0 HG13 ILE A 85 -31.432 -18.484 -6.726 1.00 44.33 H new ATOM 0 HG21 ILE A 85 -27.763 -18.367 -7.295 1.00 13.04 H new ATOM 0 HG22 ILE A 85 -27.504 -20.119 -7.120 1.00 13.04 H new ATOM 0 HG23 ILE A 85 -28.321 -19.480 -8.566 1.00 13.04 H new ATOM 0 HD11 ILE A 85 -30.664 -16.219 -7.252 1.00 32.12 H new ATOM 0 HD12 ILE A 85 -29.788 -16.863 -5.843 1.00 32.12 H new ATOM 0 HD13 ILE A 85 -28.997 -16.813 -7.436 1.00 32.12 H new ATOM 1418 N SER A 86 -31.972 -22.266 -6.284 1.00 44.42 N ATOM 1419 CA SER A 86 -33.019 -22.692 -5.367 1.00 3.01 C ATOM 1420 C SER A 86 -32.598 -23.977 -4.655 1.00 44.43 C ATOM 1421 O SER A 86 -33.423 -24.692 -4.089 1.00 21.04 O ATOM 1422 CB SER A 86 -34.327 -22.906 -6.133 1.00 34.12 C ATOM 1423 OG SER A 86 -34.690 -21.739 -6.857 1.00 52.25 O ATOM 0 H SER A 86 -31.851 -22.872 -7.096 1.00 44.42 H new ATOM 0 HA SER A 86 -33.177 -21.916 -4.618 1.00 3.01 H new ATOM 0 HB2 SER A 86 -34.217 -23.745 -6.820 1.00 34.12 H new ATOM 0 HB3 SER A 86 -35.123 -23.168 -5.435 1.00 34.12 H new ATOM 0 HG SER A 86 -33.932 -21.445 -7.404 1.00 52.25 H new ATOM 1429 N LYS A 87 -31.301 -24.246 -4.679 1.00 4.30 N ATOM 1430 CA LYS A 87 -30.758 -25.466 -4.110 1.00 1.32 C ATOM 1431 C LYS A 87 -30.158 -25.188 -2.735 1.00 62.43 C ATOM 1432 O LYS A 87 -28.997 -24.731 -2.670 1.00 11.02 O ATOM 1433 CB LYS A 87 -29.700 -26.054 -5.050 1.00 42.24 C ATOM 1434 CG LYS A 87 -29.238 -27.450 -4.662 1.00 54.23 C ATOM 1435 CD LYS A 87 -28.227 -28.005 -5.656 1.00 12.21 C ATOM 1436 CE LYS A 87 -28.814 -28.132 -7.059 1.00 55.22 C ATOM 1437 NZ LYS A 87 -29.990 -29.042 -7.095 1.00 44.54 N1+ ATOM 1438 OXT LYS A 87 -30.855 -25.412 -1.724 1.00 0.00 O ATOM 0 H LYS A 87 -30.601 -23.628 -5.091 1.00 4.30 H new ATOM 0 HA LYS A 87 -31.563 -26.191 -3.992 1.00 1.32 H new ATOM 0 HB2 LYS A 87 -30.104 -26.084 -6.062 1.00 42.24 H new ATOM 0 HB3 LYS A 87 -28.837 -25.389 -5.071 1.00 42.24 H new ATOM 0 HG2 LYS A 87 -28.793 -27.423 -3.667 1.00 54.23 H new ATOM 0 HG3 LYS A 87 -30.099 -28.116 -4.608 1.00 54.23 H new ATOM 0 HD2 LYS A 87 -27.353 -27.354 -5.686 1.00 12.21 H new ATOM 0 HD3 LYS A 87 -27.884 -28.982 -5.317 1.00 12.21 H new ATOM 0 HE2 LYS A 87 -29.108 -27.146 -7.419 1.00 55.22 H new ATOM 0 HE3 LYS A 87 -28.048 -28.504 -7.739 1.00 55.22 H new ATOM 0 HZ1 LYS A 87 -30.251 -29.232 -8.083 1.00 44.54 H new ATOM 0 HZ2 LYS A 87 -29.751 -29.937 -6.621 1.00 44.54 H new ATOM 0 HZ3 LYS A 87 -30.791 -28.594 -6.605 1.00 44.54 H new TER 1452 LYS A 87