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 80 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 81 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 67 ASN : amide:sc= 1.08 K(o=2.3,f=-3.7) USER MOD Set 2.2: A 70 LYS NZ :NH3+ 177:sc= 1.2 (180deg=0) USER MOD Set 3.1: A 39 HIS : no HE2:sc= 0.49 K(o=1.9,f=-3.4!) USER MOD Set 3.2: A 41 SER OG : rot -19:sc= 1.37 USER MOD Set 4.1: A 18 THR OG1 : rot 140:sc= 0.356 USER MOD Set 4.2: A 29 LYS NZ :NH3+ -145:sc= 1.11 (180deg=0.0965) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -98:sc= 0.108 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -174:sc=-0.00109 (180deg=-0.0476) USER MOD Single : A 7 SER OG : rot 45:sc= 1.18 USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.22) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0521 K(o=-0.052,f=-0.72) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 CYS SG : rot 32:sc= -0.614 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -36:sc= 0.226 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 131:sc= -0.636 (180deg=-1.3) USER MOD Single : A 62 SER OG : rot 180:sc= -0.103 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 0.914 (180deg=0.741) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.815 -1.678 2.297 1.00 53.00 N1+ ATOM 2 CA MET A 1 -2.174 -2.574 3.288 1.00 41.23 C ATOM 3 C MET A 1 -0.685 -2.256 3.370 1.00 63.35 C ATOM 4 O MET A 1 -0.136 -1.651 2.455 1.00 22.14 O ATOM 5 CB MET A 1 -2.384 -4.037 2.872 1.00 34.01 C ATOM 6 CG MET A 1 -1.884 -5.055 3.887 1.00 30.43 C ATOM 7 SD MET A 1 -2.030 -6.754 3.300 1.00 64.11 S ATOM 8 CE MET A 1 -1.342 -7.660 4.689 1.00 25.42 C ATOM 0 H1 MET A 1 -3.263 -0.879 2.790 1.00 53.00 H new ATOM 0 H2 MET A 1 -2.096 -1.319 1.637 1.00 53.00 H new ATOM 0 H3 MET A 1 -3.537 -2.206 1.767 1.00 53.00 H new ATOM 0 HA MET A 1 -2.625 -2.419 4.268 1.00 41.23 H new ATOM 0 HB2 MET A 1 -3.447 -4.205 2.700 1.00 34.01 H new ATOM 0 HB3 MET A 1 -1.877 -4.209 1.923 1.00 34.01 H new ATOM 0 HG2 MET A 1 -0.841 -4.845 4.122 1.00 30.43 H new ATOM 0 HG3 MET A 1 -2.448 -4.945 4.813 1.00 30.43 H new ATOM 0 HE1 MET A 1 -1.365 -8.728 4.474 1.00 25.42 H new ATOM 0 HE2 MET A 1 -0.312 -7.345 4.855 1.00 25.42 H new ATOM 0 HE3 MET A 1 -1.931 -7.458 5.583 1.00 25.42 H new ATOM 20 N VAL A 2 -0.036 -2.638 4.469 1.00 44.52 N ATOM 21 CA VAL A 2 1.412 -2.487 4.582 1.00 52.20 C ATOM 22 C VAL A 2 2.119 -3.307 3.502 1.00 24.12 C ATOM 23 O VAL A 2 3.012 -2.814 2.815 1.00 12.22 O ATOM 24 CB VAL A 2 1.927 -2.886 5.986 1.00 13.01 C ATOM 25 CG1 VAL A 2 1.517 -1.844 7.013 1.00 61.54 C ATOM 26 CG2 VAL A 2 1.411 -4.262 6.399 1.00 54.33 C ATOM 0 H VAL A 2 -0.486 -3.051 5.286 1.00 44.52 H new ATOM 0 HA VAL A 2 1.643 -1.432 4.437 1.00 52.20 H new ATOM 0 HB VAL A 2 3.015 -2.935 5.940 1.00 13.01 H new ATOM 0 HG11 VAL A 2 1.886 -2.137 7.996 1.00 61.54 H new ATOM 0 HG12 VAL A 2 1.941 -0.878 6.740 1.00 61.54 H new ATOM 0 HG13 VAL A 2 0.430 -1.769 7.041 1.00 61.54 H new ATOM 0 HG21 VAL A 2 1.792 -4.511 7.390 1.00 54.33 H new ATOM 0 HG22 VAL A 2 0.321 -4.250 6.421 1.00 54.33 H new ATOM 0 HG23 VAL A 2 1.751 -5.009 5.681 1.00 54.33 H new ATOM 36 N LYS A 3 1.695 -4.555 3.341 1.00 35.41 N ATOM 37 CA LYS A 3 2.153 -5.380 2.238 1.00 0.30 C ATOM 38 C LYS A 3 1.227 -5.171 1.047 1.00 53.44 C ATOM 39 O LYS A 3 0.363 -5.996 0.761 1.00 41.31 O ATOM 40 CB LYS A 3 2.188 -6.861 2.639 1.00 51.43 C ATOM 41 CG LYS A 3 3.232 -7.186 3.695 1.00 23.50 C ATOM 42 CD LYS A 3 4.640 -6.986 3.162 1.00 41.31 C ATOM 43 CE LYS A 3 5.689 -7.389 4.187 1.00 61.42 C ATOM 44 NZ LYS A 3 7.068 -7.257 3.649 1.00 1.32 N1+ ATOM 0 H LYS A 3 1.032 -5.016 3.965 1.00 35.41 H new ATOM 0 HA LYS A 3 3.168 -5.088 1.969 1.00 0.30 H new ATOM 0 HB2 LYS A 3 1.205 -7.150 3.012 1.00 51.43 H new ATOM 0 HB3 LYS A 3 2.382 -7.464 1.752 1.00 51.43 H new ATOM 0 HG2 LYS A 3 3.078 -6.552 4.568 1.00 23.50 H new ATOM 0 HG3 LYS A 3 3.109 -8.218 4.025 1.00 23.50 H new ATOM 0 HD2 LYS A 3 4.773 -7.574 2.254 1.00 41.31 H new ATOM 0 HD3 LYS A 3 4.781 -5.940 2.888 1.00 41.31 H new ATOM 0 HE2 LYS A 3 5.585 -6.768 5.076 1.00 61.42 H new ATOM 0 HE3 LYS A 3 5.517 -8.420 4.497 1.00 61.42 H new ATOM 0 HZ1 LYS A 3 7.754 -7.541 4.378 1.00 1.32 H new ATOM 0 HZ2 LYS A 3 7.175 -7.869 2.815 1.00 1.32 H new ATOM 0 HZ3 LYS A 3 7.241 -6.268 3.377 1.00 1.32 H new ATOM 58 N ASP A 4 1.379 -4.028 0.397 1.00 23.40 N ATOM 59 CA ASP A 4 0.506 -3.645 -0.707 1.00 52.24 C ATOM 60 C ASP A 4 1.230 -3.804 -2.033 1.00 51.30 C ATOM 61 O ASP A 4 0.766 -4.502 -2.935 1.00 11.21 O ATOM 62 CB ASP A 4 0.067 -2.188 -0.532 1.00 21.32 C ATOM 63 CG ASP A 4 -0.998 -1.762 -1.518 1.00 23.12 C ATOM 64 OD1 ASP A 4 -0.671 -1.543 -2.700 1.00 55.42 O ATOM 65 OD2 ASP A 4 -2.174 -1.625 -1.102 1.00 65.32 O ATOM 0 H ASP A 4 2.103 -3.344 0.615 1.00 23.40 H new ATOM 0 HA ASP A 4 -0.370 -4.294 -0.705 1.00 52.24 H new ATOM 0 HB2 ASP A 4 -0.309 -2.048 0.481 1.00 21.32 H new ATOM 0 HB3 ASP A 4 0.935 -1.538 -0.642 1.00 21.32 H new ATOM 70 N GLU A 5 2.388 -3.168 -2.122 1.00 50.14 N ATOM 71 CA GLU A 5 3.174 -3.141 -3.348 1.00 33.50 C ATOM 72 C GLU A 5 3.697 -4.528 -3.714 1.00 64.33 C ATOM 73 O GLU A 5 3.945 -4.820 -4.880 1.00 50.44 O ATOM 74 CB GLU A 5 4.349 -2.177 -3.173 1.00 1.02 C ATOM 75 CG GLU A 5 5.134 -1.913 -4.447 1.00 62.35 C ATOM 76 CD GLU A 5 4.340 -1.137 -5.475 1.00 61.32 C ATOM 77 OE1 GLU A 5 3.680 -1.762 -6.324 1.00 34.43 O ATOM 78 OE2 GLU A 5 4.384 0.109 -5.443 1.00 71.23 O ATOM 0 H GLU A 5 2.810 -2.656 -1.347 1.00 50.14 H new ATOM 0 HA GLU A 5 2.528 -2.805 -4.159 1.00 33.50 H new ATOM 0 HB2 GLU A 5 3.972 -1.229 -2.789 1.00 1.02 H new ATOM 0 HB3 GLU A 5 5.026 -2.580 -2.420 1.00 1.02 H new ATOM 0 HG2 GLU A 5 6.041 -1.360 -4.202 1.00 62.35 H new ATOM 0 HG3 GLU A 5 5.448 -2.864 -4.879 1.00 62.35 H new ATOM 85 N LYS A 6 3.857 -5.388 -2.720 1.00 13.50 N ATOM 86 CA LYS A 6 4.486 -6.678 -2.947 1.00 35.25 C ATOM 87 C LYS A 6 3.457 -7.790 -3.142 1.00 23.15 C ATOM 88 O LYS A 6 3.822 -8.946 -3.360 1.00 63.42 O ATOM 89 CB LYS A 6 5.421 -7.018 -1.786 1.00 54.34 C ATOM 90 CG LYS A 6 6.651 -7.792 -2.224 1.00 63.13 C ATOM 91 CD LYS A 6 7.429 -7.015 -3.274 1.00 24.31 C ATOM 92 CE LYS A 6 8.615 -7.800 -3.803 1.00 72.11 C ATOM 93 NZ LYS A 6 9.620 -8.086 -2.745 1.00 50.35 N1+ ATOM 0 H LYS A 6 3.563 -5.218 -1.758 1.00 13.50 H new ATOM 0 HA LYS A 6 5.065 -6.605 -3.868 1.00 35.25 H new ATOM 0 HB2 LYS A 6 5.734 -6.096 -1.296 1.00 54.34 H new ATOM 0 HB3 LYS A 6 4.875 -7.603 -1.046 1.00 54.34 H new ATOM 0 HG2 LYS A 6 7.289 -7.988 -1.362 1.00 63.13 H new ATOM 0 HG3 LYS A 6 6.353 -8.760 -2.627 1.00 63.13 H new ATOM 0 HD2 LYS A 6 6.766 -6.760 -4.101 1.00 24.31 H new ATOM 0 HD3 LYS A 6 7.779 -6.076 -2.844 1.00 24.31 H new ATOM 0 HE2 LYS A 6 8.264 -8.739 -4.231 1.00 72.11 H new ATOM 0 HE3 LYS A 6 9.089 -7.239 -4.609 1.00 72.11 H new ATOM 0 HZ1 LYS A 6 10.456 -8.533 -3.172 1.00 50.35 H new ATOM 0 HZ2 LYS A 6 9.901 -7.197 -2.283 1.00 50.35 H new ATOM 0 HZ3 LYS A 6 9.207 -8.728 -2.038 1.00 50.35 H new ATOM 107 N SER A 7 2.178 -7.450 -3.068 1.00 44.13 N ATOM 108 CA SER A 7 1.130 -8.440 -3.261 1.00 11.31 C ATOM 109 C SER A 7 0.484 -8.283 -4.634 1.00 5.12 C ATOM 110 O SER A 7 -0.413 -7.460 -4.819 1.00 4.33 O ATOM 111 CB SER A 7 0.080 -8.338 -2.149 1.00 31.12 C ATOM 112 OG SER A 7 -0.420 -7.014 -2.019 1.00 72.22 O ATOM 0 H SER A 7 1.844 -6.505 -2.878 1.00 44.13 H new ATOM 0 HA SER A 7 1.582 -9.431 -3.212 1.00 11.31 H new ATOM 0 HB2 SER A 7 -0.744 -9.019 -2.363 1.00 31.12 H new ATOM 0 HB3 SER A 7 0.519 -8.656 -1.203 1.00 31.12 H new ATOM 0 HG SER A 7 -0.611 -6.648 -2.908 1.00 72.22 H new ATOM 118 N LYS A 8 0.974 -9.052 -5.599 1.00 33.40 N ATOM 119 CA LYS A 8 0.462 -8.999 -6.961 1.00 13.53 C ATOM 120 C LYS A 8 0.278 -10.405 -7.528 1.00 70.15 C ATOM 121 O LYS A 8 -0.587 -10.637 -8.372 1.00 13.33 O ATOM 122 CB LYS A 8 1.406 -8.177 -7.843 1.00 2.34 C ATOM 123 CG LYS A 8 1.443 -6.706 -7.462 1.00 62.55 C ATOM 124 CD LYS A 8 2.635 -5.981 -8.064 1.00 51.24 C ATOM 125 CE LYS A 8 2.663 -4.531 -7.613 1.00 23.34 C ATOM 126 NZ LYS A 8 3.949 -3.862 -7.937 1.00 65.43 N1+ ATOM 0 H LYS A 8 1.730 -9.723 -5.461 1.00 33.40 H new ATOM 0 HA LYS A 8 -0.514 -8.515 -6.947 1.00 13.53 H new ATOM 0 HB2 LYS A 8 2.412 -8.590 -7.773 1.00 2.34 H new ATOM 0 HB3 LYS A 8 1.095 -8.270 -8.884 1.00 2.34 H new ATOM 0 HG2 LYS A 8 0.523 -6.224 -7.794 1.00 62.55 H new ATOM 0 HG3 LYS A 8 1.477 -6.616 -6.376 1.00 62.55 H new ATOM 0 HD2 LYS A 8 3.558 -6.478 -7.766 1.00 51.24 H new ATOM 0 HD3 LYS A 8 2.585 -6.028 -9.152 1.00 51.24 H new ATOM 0 HE2 LYS A 8 1.845 -3.990 -8.088 1.00 23.34 H new ATOM 0 HE3 LYS A 8 2.493 -4.485 -6.537 1.00 23.34 H new ATOM 0 HZ1 LYS A 8 3.913 -2.871 -7.625 1.00 65.43 H new ATOM 0 HZ2 LYS A 8 4.727 -4.350 -7.449 1.00 65.43 H new ATOM 0 HZ3 LYS A 8 4.109 -3.896 -8.964 1.00 65.43 H new ATOM 140 N THR A 9 1.092 -11.340 -7.062 1.00 74.01 N ATOM 141 CA THR A 9 0.948 -12.733 -7.452 1.00 1.41 C ATOM 142 C THR A 9 0.128 -13.489 -6.407 1.00 62.14 C ATOM 143 O THR A 9 0.663 -13.967 -5.405 1.00 2.31 O ATOM 144 CB THR A 9 2.324 -13.404 -7.631 1.00 2.23 C ATOM 145 OG1 THR A 9 3.134 -12.616 -8.517 1.00 1.21 O ATOM 146 CG2 THR A 9 2.181 -14.809 -8.198 1.00 41.14 C ATOM 0 H THR A 9 1.858 -11.159 -6.414 1.00 74.01 H new ATOM 0 HA THR A 9 0.427 -12.765 -8.409 1.00 1.41 H new ATOM 0 HB THR A 9 2.798 -13.472 -6.652 1.00 2.23 H new ATOM 0 HG1 THR A 9 4.009 -13.044 -8.628 1.00 1.21 H new ATOM 0 HG21 THR A 9 3.168 -15.257 -8.313 1.00 41.14 H new ATOM 0 HG22 THR A 9 1.584 -15.417 -7.518 1.00 41.14 H new ATOM 0 HG23 THR A 9 1.689 -14.761 -9.169 1.00 41.14 H new ATOM 154 N LEU A 10 -1.178 -13.562 -6.626 1.00 25.14 N ATOM 155 CA LEU A 10 -2.069 -14.207 -5.673 1.00 32.34 C ATOM 156 C LEU A 10 -3.286 -14.801 -6.379 1.00 62.24 C ATOM 157 O LEU A 10 -3.527 -14.524 -7.557 1.00 45.33 O ATOM 158 CB LEU A 10 -2.497 -13.221 -4.568 1.00 23.43 C ATOM 159 CG LEU A 10 -3.501 -12.125 -4.957 1.00 52.11 C ATOM 160 CD1 LEU A 10 -3.908 -11.343 -3.720 1.00 33.24 C ATOM 161 CD2 LEU A 10 -2.925 -11.178 -6.000 1.00 35.05 C ATOM 0 H LEU A 10 -1.642 -13.184 -7.452 1.00 25.14 H new ATOM 0 HA LEU A 10 -1.524 -15.025 -5.201 1.00 32.34 H new ATOM 0 HB2 LEU A 10 -2.926 -13.797 -3.748 1.00 23.43 H new ATOM 0 HB3 LEU A 10 -1.600 -12.736 -4.181 1.00 23.43 H new ATOM 0 HG LEU A 10 -4.374 -12.609 -5.394 1.00 52.11 H new ATOM 0 HD11 LEU A 10 -4.620 -10.566 -3.999 1.00 33.24 H new ATOM 0 HD12 LEU A 10 -4.370 -12.017 -2.999 1.00 33.24 H new ATOM 0 HD13 LEU A 10 -3.026 -10.884 -3.274 1.00 33.24 H new ATOM 0 HD21 LEU A 10 -3.665 -10.417 -6.249 1.00 35.05 H new ATOM 0 HD22 LEU A 10 -2.031 -10.698 -5.602 1.00 35.05 H new ATOM 0 HD23 LEU A 10 -2.666 -11.739 -6.898 1.00 35.05 H new ATOM 173 N PHE A 11 -4.049 -15.606 -5.652 1.00 21.44 N ATOM 174 CA PHE A 11 -5.166 -16.339 -6.228 1.00 51.03 C ATOM 175 C PHE A 11 -6.492 -15.717 -5.797 1.00 5.42 C ATOM 176 O PHE A 11 -6.714 -15.460 -4.613 1.00 70.31 O ATOM 177 CB PHE A 11 -5.089 -17.805 -5.798 1.00 75.42 C ATOM 178 CG PHE A 11 -6.028 -18.716 -6.531 1.00 73.01 C ATOM 179 CD1 PHE A 11 -5.935 -18.868 -7.904 1.00 30.00 C ATOM 180 CD2 PHE A 11 -6.992 -19.434 -5.845 1.00 72.42 C ATOM 181 CE1 PHE A 11 -6.787 -19.718 -8.581 1.00 32.10 C ATOM 182 CE2 PHE A 11 -7.849 -20.285 -6.516 1.00 53.13 C ATOM 183 CZ PHE A 11 -7.747 -20.427 -7.885 1.00 35.33 C ATOM 0 H PHE A 11 -3.912 -15.768 -4.654 1.00 21.44 H new ATOM 0 HA PHE A 11 -5.109 -16.286 -7.315 1.00 51.03 H new ATOM 0 HB2 PHE A 11 -4.069 -18.161 -5.944 1.00 75.42 H new ATOM 0 HB3 PHE A 11 -5.299 -17.869 -4.730 1.00 75.42 H new ATOM 0 HD1 PHE A 11 -5.187 -18.315 -8.452 1.00 30.00 H new ATOM 0 HD2 PHE A 11 -7.075 -19.328 -4.773 1.00 72.42 H new ATOM 0 HE1 PHE A 11 -6.703 -19.828 -9.652 1.00 32.10 H new ATOM 0 HE2 PHE A 11 -8.598 -20.839 -5.970 1.00 53.13 H new ATOM 0 HZ PHE A 11 -8.416 -21.091 -8.411 1.00 35.33 H new ATOM 193 N GLU A 12 -7.359 -15.474 -6.769 1.00 1.23 N ATOM 194 CA GLU A 12 -8.626 -14.790 -6.533 1.00 62.32 C ATOM 195 C GLU A 12 -9.807 -15.688 -6.903 1.00 31.21 C ATOM 196 O GLU A 12 -9.864 -16.220 -8.017 1.00 54.10 O ATOM 197 CB GLU A 12 -8.670 -13.511 -7.372 1.00 51.23 C ATOM 198 CG GLU A 12 -7.479 -12.591 -7.146 1.00 62.23 C ATOM 199 CD GLU A 12 -7.148 -11.765 -8.372 1.00 43.54 C ATOM 200 OE1 GLU A 12 -6.357 -12.245 -9.217 1.00 13.41 O ATOM 201 OE2 GLU A 12 -7.678 -10.643 -8.510 1.00 2.02 O ATOM 0 H GLU A 12 -7.207 -15.744 -7.741 1.00 1.23 H new ATOM 0 HA GLU A 12 -8.701 -14.545 -5.474 1.00 62.32 H new ATOM 0 HB2 GLU A 12 -8.715 -13.780 -8.427 1.00 51.23 H new ATOM 0 HB3 GLU A 12 -9.587 -12.968 -7.142 1.00 51.23 H new ATOM 0 HG2 GLU A 12 -7.691 -11.926 -6.309 1.00 62.23 H new ATOM 0 HG3 GLU A 12 -6.610 -13.187 -6.867 1.00 62.23 H new ATOM 208 N VAL A 13 -10.743 -15.855 -5.971 1.00 43.32 N ATOM 209 CA VAL A 13 -11.938 -16.665 -6.208 1.00 61.25 C ATOM 210 C VAL A 13 -13.171 -16.042 -5.561 1.00 20.13 C ATOM 211 O VAL A 13 -13.085 -15.004 -4.900 1.00 72.34 O ATOM 212 CB VAL A 13 -11.781 -18.114 -5.689 1.00 33.51 C ATOM 213 CG1 VAL A 13 -10.921 -18.938 -6.633 1.00 3.11 C ATOM 214 CG2 VAL A 13 -11.192 -18.130 -4.286 1.00 50.33 C ATOM 0 H VAL A 13 -10.697 -15.439 -5.041 1.00 43.32 H new ATOM 0 HA VAL A 13 -12.067 -16.695 -7.290 1.00 61.25 H new ATOM 0 HB VAL A 13 -12.774 -18.562 -5.649 1.00 33.51 H new ATOM 0 HG11 VAL A 13 -10.826 -19.953 -6.246 1.00 3.11 H new ATOM 0 HG12 VAL A 13 -11.387 -18.967 -7.618 1.00 3.11 H new ATOM 0 HG13 VAL A 13 -9.932 -18.486 -6.713 1.00 3.11 H new ATOM 0 HG21 VAL A 13 -11.092 -19.160 -3.945 1.00 50.33 H new ATOM 0 HG22 VAL A 13 -10.211 -17.655 -4.298 1.00 50.33 H new ATOM 0 HG23 VAL A 13 -11.850 -17.586 -3.609 1.00 50.33 H new ATOM 224 N GLU A 14 -14.318 -16.680 -5.770 1.00 64.10 N ATOM 225 CA GLU A 14 -15.579 -16.216 -5.208 1.00 64.10 C ATOM 226 C GLU A 14 -15.891 -16.918 -3.892 1.00 1.04 C ATOM 227 O GLU A 14 -15.202 -17.855 -3.488 1.00 11.33 O ATOM 228 CB GLU A 14 -16.732 -16.476 -6.180 1.00 4.24 C ATOM 229 CG GLU A 14 -16.759 -15.567 -7.394 1.00 23.53 C ATOM 230 CD GLU A 14 -18.005 -15.786 -8.229 1.00 4.00 C ATOM 231 OE1 GLU A 14 -17.881 -16.010 -9.450 1.00 64.31 O ATOM 232 OE2 GLU A 14 -19.115 -15.755 -7.654 1.00 11.14 O ATOM 0 H GLU A 14 -14.399 -17.528 -6.331 1.00 64.10 H new ATOM 0 HA GLU A 14 -15.475 -15.146 -5.030 1.00 64.10 H new ATOM 0 HB2 GLU A 14 -16.676 -17.510 -6.519 1.00 4.24 H new ATOM 0 HB3 GLU A 14 -17.674 -16.368 -5.642 1.00 4.24 H new ATOM 0 HG2 GLU A 14 -16.715 -14.527 -7.071 1.00 23.53 H new ATOM 0 HG3 GLU A 14 -15.875 -15.749 -8.005 1.00 23.53 H new ATOM 239 N GLY A 15 -16.950 -16.459 -3.244 1.00 43.41 N ATOM 240 CA GLY A 15 -17.425 -17.073 -2.025 1.00 12.42 C ATOM 241 C GLY A 15 -18.693 -16.399 -1.543 1.00 31.32 C ATOM 242 O GLY A 15 -19.119 -15.402 -2.122 1.00 35.33 O ATOM 0 H GLY A 15 -17.498 -15.655 -3.550 1.00 43.41 H new ATOM 0 HA2 GLY A 15 -17.613 -18.133 -2.196 1.00 12.42 H new ATOM 0 HA3 GLY A 15 -16.656 -17.006 -1.255 1.00 12.42 H new ATOM 246 N ALA A 16 -19.303 -16.935 -0.498 1.00 62.44 N ATOM 247 CA ALA A 16 -20.504 -16.335 0.071 1.00 44.05 C ATOM 248 C ALA A 16 -20.369 -16.198 1.581 1.00 33.42 C ATOM 249 O ALA A 16 -20.135 -17.184 2.283 1.00 20.52 O ATOM 250 CB ALA A 16 -21.734 -17.161 -0.283 1.00 42.34 C ATOM 0 H ALA A 16 -18.989 -17.783 -0.026 1.00 62.44 H new ATOM 0 HA ALA A 16 -20.625 -15.339 -0.355 1.00 44.05 H new ATOM 0 HB1 ALA A 16 -22.620 -16.698 0.150 1.00 42.34 H new ATOM 0 HB2 ALA A 16 -21.842 -17.207 -1.367 1.00 42.34 H new ATOM 0 HB3 ALA A 16 -21.621 -18.170 0.114 1.00 42.34 H new ATOM 256 N VAL A 17 -20.524 -14.976 2.072 1.00 34.30 N ATOM 257 CA VAL A 17 -20.375 -14.695 3.495 1.00 43.13 C ATOM 258 C VAL A 17 -21.552 -15.257 4.289 1.00 71.50 C ATOM 259 O VAL A 17 -22.711 -15.119 3.891 1.00 64.21 O ATOM 260 CB VAL A 17 -20.222 -13.177 3.756 1.00 33.33 C ATOM 261 CG1 VAL A 17 -21.403 -12.405 3.195 1.00 64.24 C ATOM 262 CG2 VAL A 17 -20.048 -12.890 5.241 1.00 72.20 C ATOM 0 H VAL A 17 -20.754 -14.160 1.504 1.00 34.30 H new ATOM 0 HA VAL A 17 -19.464 -15.189 3.833 1.00 43.13 H new ATOM 0 HB VAL A 17 -19.322 -12.842 3.240 1.00 33.33 H new ATOM 0 HG11 VAL A 17 -21.269 -11.341 3.392 1.00 64.24 H new ATOM 0 HG12 VAL A 17 -21.467 -12.569 2.119 1.00 64.24 H new ATOM 0 HG13 VAL A 17 -22.322 -12.750 3.670 1.00 64.24 H new ATOM 0 HG21 VAL A 17 -19.943 -11.816 5.394 1.00 72.20 H new ATOM 0 HG22 VAL A 17 -20.920 -13.251 5.786 1.00 72.20 H new ATOM 0 HG23 VAL A 17 -19.156 -13.398 5.608 1.00 72.20 H new ATOM 272 N THR A 18 -21.244 -15.921 5.394 1.00 50.43 N ATOM 273 CA THR A 18 -22.270 -16.524 6.227 1.00 63.53 C ATOM 274 C THR A 18 -22.512 -15.692 7.485 1.00 75.23 C ATOM 275 O THR A 18 -23.654 -15.397 7.839 1.00 12.21 O ATOM 276 CB THR A 18 -21.874 -17.954 6.636 1.00 22.03 C ATOM 277 OG1 THR A 18 -21.170 -18.588 5.564 1.00 4.42 O ATOM 278 CG2 THR A 18 -23.103 -18.776 6.970 1.00 15.42 C ATOM 0 H THR A 18 -20.291 -16.055 5.733 1.00 50.43 H new ATOM 0 HA THR A 18 -23.187 -16.559 5.639 1.00 63.53 H new ATOM 0 HB THR A 18 -21.235 -17.892 7.517 1.00 22.03 H new ATOM 0 HG1 THR A 18 -20.426 -19.113 5.926 1.00 4.42 H new ATOM 0 HG21 THR A 18 -22.800 -19.783 7.256 1.00 15.42 H new ATOM 0 HG22 THR A 18 -23.639 -18.309 7.796 1.00 15.42 H new ATOM 0 HG23 THR A 18 -23.755 -18.827 6.098 1.00 15.42 H new ATOM 286 N ALA A 19 -21.429 -15.309 8.153 1.00 10.32 N ATOM 287 CA ALA A 19 -21.522 -14.536 9.384 1.00 14.24 C ATOM 288 C ALA A 19 -20.256 -13.720 9.601 1.00 50.24 C ATOM 289 O ALA A 19 -19.249 -13.933 8.919 1.00 42.23 O ATOM 290 CB ALA A 19 -21.771 -15.456 10.572 1.00 63.24 C ATOM 0 H ALA A 19 -20.475 -15.522 7.861 1.00 10.32 H new ATOM 0 HA ALA A 19 -22.363 -13.849 9.295 1.00 14.24 H new ATOM 0 HB1 ALA A 19 -21.838 -14.863 11.484 1.00 63.24 H new ATOM 0 HB2 ALA A 19 -22.705 -15.998 10.423 1.00 63.24 H new ATOM 0 HB3 ALA A 19 -20.949 -16.166 10.661 1.00 63.24 H new ATOM 296 N LEU A 20 -20.309 -12.794 10.550 1.00 12.23 N ATOM 297 CA LEU A 20 -19.167 -11.945 10.855 1.00 50.13 C ATOM 298 C LEU A 20 -18.959 -11.837 12.357 1.00 64.25 C ATOM 299 O LEU A 20 -19.887 -12.036 13.141 1.00 34.04 O ATOM 300 CB LEU A 20 -19.331 -10.538 10.262 1.00 31.23 C ATOM 301 CG LEU A 20 -20.292 -9.587 10.997 1.00 42.05 C ATOM 302 CD1 LEU A 20 -20.178 -8.183 10.427 1.00 41.44 C ATOM 303 CD2 LEU A 20 -21.730 -10.071 10.903 1.00 52.54 C ATOM 0 H LEU A 20 -21.133 -12.612 11.122 1.00 12.23 H new ATOM 0 HA LEU A 20 -18.293 -12.413 10.401 1.00 50.13 H new ATOM 0 HB2 LEU A 20 -18.348 -10.067 10.225 1.00 31.23 H new ATOM 0 HB3 LEU A 20 -19.674 -10.640 9.233 1.00 31.23 H new ATOM 0 HG LEU A 20 -20.008 -9.573 12.049 1.00 42.05 H new ATOM 0 HD11 LEU A 20 -20.863 -7.519 10.955 1.00 41.44 H new ATOM 0 HD12 LEU A 20 -19.157 -7.823 10.549 1.00 41.44 H new ATOM 0 HD13 LEU A 20 -20.433 -8.199 9.367 1.00 41.44 H new ATOM 0 HD21 LEU A 20 -22.383 -9.377 11.432 1.00 52.54 H new ATOM 0 HD22 LEU A 20 -22.029 -10.123 9.856 1.00 52.54 H new ATOM 0 HD23 LEU A 20 -21.811 -11.060 11.353 1.00 52.54 H new ATOM 315 N LEU A 21 -17.731 -11.539 12.741 1.00 44.24 N ATOM 316 CA LEU A 21 -17.384 -11.301 14.127 1.00 35.51 C ATOM 317 C LEU A 21 -16.858 -9.870 14.254 1.00 33.02 C ATOM 318 O LEU A 21 -16.126 -9.405 13.378 1.00 60.41 O ATOM 319 CB LEU A 21 -16.322 -12.314 14.579 1.00 2.21 C ATOM 320 CG LEU A 21 -16.106 -12.424 16.090 1.00 42.31 C ATOM 321 CD1 LEU A 21 -17.335 -13.014 16.769 1.00 31.35 C ATOM 322 CD2 LEU A 21 -14.876 -13.267 16.389 1.00 73.01 C ATOM 0 H LEU A 21 -16.945 -11.455 12.097 1.00 44.24 H new ATOM 0 HA LEU A 21 -18.260 -11.424 14.765 1.00 35.51 H new ATOM 0 HB2 LEU A 21 -16.600 -13.297 14.198 1.00 2.21 H new ATOM 0 HB3 LEU A 21 -15.373 -12.048 14.114 1.00 2.21 H new ATOM 0 HG LEU A 21 -15.945 -11.422 16.487 1.00 42.31 H new ATOM 0 HD11 LEU A 21 -17.160 -13.083 17.843 1.00 31.35 H new ATOM 0 HD12 LEU A 21 -18.197 -12.373 16.583 1.00 31.35 H new ATOM 0 HD13 LEU A 21 -17.530 -14.009 16.368 1.00 31.35 H new ATOM 0 HD21 LEU A 21 -14.736 -13.336 17.468 1.00 73.01 H new ATOM 0 HD22 LEU A 21 -15.011 -14.267 15.976 1.00 73.01 H new ATOM 0 HD23 LEU A 21 -13.999 -12.803 15.938 1.00 73.01 H new ATOM 334 N PRO A 22 -17.229 -9.146 15.330 1.00 62.10 N ATOM 335 CA PRO A 22 -16.838 -7.733 15.533 1.00 2.32 C ATOM 336 C PRO A 22 -15.324 -7.517 15.640 1.00 40.22 C ATOM 337 O PRO A 22 -14.862 -6.404 15.888 1.00 4.22 O ATOM 338 CB PRO A 22 -17.512 -7.359 16.856 1.00 75.04 C ATOM 339 CG PRO A 22 -18.595 -8.361 17.038 1.00 41.35 C ATOM 340 CD PRO A 22 -18.089 -9.629 16.421 1.00 34.22 C ATOM 0 HA PRO A 22 -17.141 -7.124 14.681 1.00 2.32 H new ATOM 0 HB2 PRO A 22 -16.802 -7.392 17.683 1.00 75.04 H new ATOM 0 HB3 PRO A 22 -17.914 -6.346 16.821 1.00 75.04 H new ATOM 0 HG2 PRO A 22 -18.821 -8.504 18.095 1.00 41.35 H new ATOM 0 HG3 PRO A 22 -19.516 -8.033 16.556 1.00 41.35 H new ATOM 0 HD2 PRO A 22 -17.531 -10.232 17.138 1.00 34.22 H new ATOM 0 HD3 PRO A 22 -18.904 -10.250 16.048 1.00 34.22 H new ATOM 348 N ALA A 23 -14.558 -8.577 15.446 1.00 52.31 N ATOM 349 CA ALA A 23 -13.107 -8.495 15.458 1.00 1.51 C ATOM 350 C ALA A 23 -12.576 -8.268 14.043 1.00 44.12 C ATOM 351 O ALA A 23 -11.453 -8.667 13.724 1.00 64.25 O ATOM 352 CB ALA A 23 -12.526 -9.772 16.043 1.00 63.23 C ATOM 0 H ALA A 23 -14.922 -9.515 15.276 1.00 52.31 H new ATOM 0 HA ALA A 23 -12.804 -7.651 16.078 1.00 1.51 H new ATOM 0 HB1 ALA A 23 -11.438 -9.707 16.050 1.00 63.23 H new ATOM 0 HB2 ALA A 23 -12.889 -9.903 17.063 1.00 63.23 H new ATOM 0 HB3 ALA A 23 -12.834 -10.623 15.436 1.00 63.23 H new ATOM 358 N ALA A 24 -13.397 -7.618 13.208 1.00 21.03 N ATOM 359 CA ALA A 24 -13.074 -7.391 11.796 1.00 50.21 C ATOM 360 C ALA A 24 -12.896 -8.722 11.079 1.00 31.54 C ATOM 361 O ALA A 24 -12.200 -8.820 10.065 1.00 34.51 O ATOM 362 CB ALA A 24 -11.826 -6.526 11.656 1.00 61.32 C ATOM 0 H ALA A 24 -14.300 -7.237 13.492 1.00 21.03 H new ATOM 0 HA ALA A 24 -13.903 -6.856 11.332 1.00 50.21 H new ATOM 0 HB1 ALA A 24 -11.607 -6.372 10.599 1.00 61.32 H new ATOM 0 HB2 ALA A 24 -11.996 -5.562 12.136 1.00 61.32 H new ATOM 0 HB3 ALA A 24 -10.982 -7.025 12.132 1.00 61.32 H new ATOM 368 N GLU A 25 -13.571 -9.734 11.598 1.00 5.42 N ATOM 369 CA GLU A 25 -13.397 -11.097 11.140 1.00 10.10 C ATOM 370 C GLU A 25 -14.666 -11.585 10.451 1.00 70.40 C ATOM 371 O GLU A 25 -15.772 -11.344 10.927 1.00 72.30 O ATOM 372 CB GLU A 25 -13.061 -11.983 12.341 1.00 0.33 C ATOM 373 CG GLU A 25 -12.640 -13.396 11.988 1.00 20.52 C ATOM 374 CD GLU A 25 -12.191 -14.170 13.211 1.00 44.44 C ATOM 375 OE1 GLU A 25 -12.986 -14.976 13.733 1.00 21.11 O ATOM 376 OE2 GLU A 25 -11.046 -13.958 13.661 1.00 0.42 O ATOM 0 H GLU A 25 -14.254 -9.631 12.348 1.00 5.42 H new ATOM 0 HA GLU A 25 -12.582 -11.143 10.418 1.00 10.10 H new ATOM 0 HB2 GLU A 25 -12.260 -11.511 12.910 1.00 0.33 H new ATOM 0 HB3 GLU A 25 -13.932 -12.031 12.995 1.00 0.33 H new ATOM 0 HG2 GLU A 25 -13.473 -13.916 11.514 1.00 20.52 H new ATOM 0 HG3 GLU A 25 -11.829 -13.363 11.260 1.00 20.52 H new ATOM 383 N PHE A 26 -14.503 -12.258 9.328 1.00 53.23 N ATOM 384 CA PHE A 26 -15.631 -12.791 8.583 1.00 25.03 C ATOM 385 C PHE A 26 -15.444 -14.278 8.343 1.00 71.34 C ATOM 386 O PHE A 26 -14.336 -14.801 8.473 1.00 73.41 O ATOM 387 CB PHE A 26 -15.783 -12.078 7.233 1.00 62.12 C ATOM 388 CG PHE A 26 -16.067 -10.609 7.337 1.00 45.10 C ATOM 389 CD1 PHE A 26 -17.362 -10.157 7.509 1.00 1.13 C ATOM 390 CD2 PHE A 26 -15.043 -9.680 7.254 1.00 24.42 C ATOM 391 CE1 PHE A 26 -17.633 -8.807 7.604 1.00 4.41 C ATOM 392 CE2 PHE A 26 -15.307 -8.328 7.349 1.00 24.32 C ATOM 393 CZ PHE A 26 -16.605 -7.892 7.522 1.00 71.54 C ATOM 0 H PHE A 26 -13.594 -12.450 8.908 1.00 53.23 H new ATOM 0 HA PHE A 26 -16.532 -12.624 9.174 1.00 25.03 H new ATOM 0 HB2 PHE A 26 -14.869 -12.219 6.656 1.00 62.12 H new ATOM 0 HB3 PHE A 26 -16.589 -12.553 6.674 1.00 62.12 H new ATOM 0 HD1 PHE A 26 -18.172 -10.869 7.570 1.00 1.13 H new ATOM 0 HD2 PHE A 26 -14.027 -10.017 7.113 1.00 24.42 H new ATOM 0 HE1 PHE A 26 -18.649 -8.468 7.742 1.00 4.41 H new ATOM 0 HE2 PHE A 26 -14.500 -7.613 7.288 1.00 24.32 H new ATOM 0 HZ PHE A 26 -16.815 -6.835 7.593 1.00 71.54 H new ATOM 403 N ARG A 27 -16.525 -14.960 8.003 1.00 41.12 N ATOM 404 CA ARG A 27 -16.447 -16.360 7.631 1.00 31.53 C ATOM 405 C ARG A 27 -17.312 -16.645 6.423 1.00 64.40 C ATOM 406 O ARG A 27 -18.542 -16.530 6.473 1.00 32.41 O ATOM 407 CB ARG A 27 -16.829 -17.270 8.797 1.00 32.20 C ATOM 408 CG ARG A 27 -15.699 -17.438 9.790 1.00 12.00 C ATOM 409 CD ARG A 27 -16.080 -18.335 10.955 1.00 63.21 C ATOM 410 NE ARG A 27 -14.934 -18.593 11.825 1.00 33.43 N ATOM 411 CZ ARG A 27 -14.328 -17.661 12.561 1.00 21.31 C ATOM 412 NH1 ARG A 27 -14.799 -16.422 12.602 1.00 72.24 N ATOM 413 NH2 ARG A 27 -13.251 -17.971 13.267 1.00 61.15 N ATOM 0 H ARG A 27 -17.466 -14.566 7.977 1.00 41.12 H new ATOM 0 HA ARG A 27 -15.411 -16.574 7.369 1.00 31.53 H new ATOM 0 HB2 ARG A 27 -17.699 -16.857 9.307 1.00 32.20 H new ATOM 0 HB3 ARG A 27 -17.119 -18.247 8.412 1.00 32.20 H new ATOM 0 HG2 ARG A 27 -14.831 -17.857 9.281 1.00 12.00 H new ATOM 0 HG3 ARG A 27 -15.404 -16.460 10.170 1.00 12.00 H new ATOM 0 HD2 ARG A 27 -16.878 -17.867 11.531 1.00 63.21 H new ATOM 0 HD3 ARG A 27 -16.472 -19.279 10.577 1.00 63.21 H new ATOM 0 HE ARG A 27 -14.575 -19.547 11.872 1.00 33.43 H new ATOM 0 HH11 ARG A 27 -15.632 -16.175 12.068 1.00 72.24 H new ATOM 0 HH12 ARG A 27 -14.328 -15.716 13.168 1.00 72.24 H new ATOM 0 HH21 ARG A 27 -12.885 -18.923 13.248 1.00 61.15 H new ATOM 0 HH22 ARG A 27 -12.788 -17.258 13.830 1.00 61.15 H new ATOM 427 N VAL A 28 -16.654 -16.975 5.329 1.00 13.30 N ATOM 428 CA VAL A 28 -17.332 -17.351 4.108 1.00 41.40 C ATOM 429 C VAL A 28 -16.959 -18.783 3.747 1.00 61.25 C ATOM 430 O VAL A 28 -15.908 -19.281 4.163 1.00 3.33 O ATOM 431 CB VAL A 28 -16.973 -16.408 2.934 1.00 24.42 C ATOM 432 CG1 VAL A 28 -17.056 -14.949 3.361 1.00 2.11 C ATOM 433 CG2 VAL A 28 -15.594 -16.718 2.367 1.00 23.34 C ATOM 0 H VAL A 28 -15.636 -16.989 5.263 1.00 13.30 H new ATOM 0 HA VAL A 28 -18.405 -17.270 4.280 1.00 41.40 H new ATOM 0 HB VAL A 28 -17.705 -16.580 2.145 1.00 24.42 H new ATOM 0 HG11 VAL A 28 -16.799 -14.308 2.518 1.00 2.11 H new ATOM 0 HG12 VAL A 28 -18.070 -14.724 3.692 1.00 2.11 H new ATOM 0 HG13 VAL A 28 -16.359 -14.769 4.179 1.00 2.11 H new ATOM 0 HG21 VAL A 28 -15.377 -16.036 1.545 1.00 23.34 H new ATOM 0 HG22 VAL A 28 -14.844 -16.596 3.148 1.00 23.34 H new ATOM 0 HG23 VAL A 28 -15.573 -17.745 2.002 1.00 23.34 H new ATOM 443 N LYS A 29 -17.815 -19.448 2.996 1.00 12.32 N ATOM 444 CA LYS A 29 -17.537 -20.810 2.581 1.00 33.22 C ATOM 445 C LYS A 29 -17.437 -20.901 1.069 1.00 43.11 C ATOM 446 O LYS A 29 -18.284 -20.380 0.338 1.00 0.11 O ATOM 447 CB LYS A 29 -18.600 -21.797 3.106 1.00 42.21 C ATOM 448 CG LYS A 29 -20.008 -21.590 2.555 1.00 55.22 C ATOM 449 CD LYS A 29 -20.644 -20.336 3.118 1.00 2.32 C ATOM 450 CE LYS A 29 -22.060 -20.133 2.612 1.00 42.32 C ATOM 451 NZ LYS A 29 -22.662 -18.895 3.171 1.00 61.03 N1+ ATOM 0 H LYS A 29 -18.702 -19.072 2.663 1.00 12.32 H new ATOM 0 HA LYS A 29 -16.578 -21.091 3.016 1.00 33.22 H new ATOM 0 HB2 LYS A 29 -18.280 -22.811 2.868 1.00 42.21 H new ATOM 0 HB3 LYS A 29 -18.638 -21.721 4.193 1.00 42.21 H new ATOM 0 HG2 LYS A 29 -19.968 -21.523 1.468 1.00 55.22 H new ATOM 0 HG3 LYS A 29 -20.626 -22.454 2.799 1.00 55.22 H new ATOM 0 HD2 LYS A 29 -20.654 -20.393 4.206 1.00 2.32 H new ATOM 0 HD3 LYS A 29 -20.037 -19.471 2.850 1.00 2.32 H new ATOM 0 HE2 LYS A 29 -22.055 -20.078 1.523 1.00 42.32 H new ATOM 0 HE3 LYS A 29 -22.672 -20.993 2.885 1.00 42.32 H new ATOM 0 HZ1 LYS A 29 -23.678 -19.046 3.333 1.00 61.03 H new ATOM 0 HZ2 LYS A 29 -22.199 -18.660 4.072 1.00 61.03 H new ATOM 0 HZ3 LYS A 29 -22.531 -18.111 2.500 1.00 61.03 H new ATOM 465 N LEU A 30 -16.369 -21.523 0.610 1.00 34.32 N ATOM 466 CA LEU A 30 -16.225 -21.860 -0.786 1.00 62.32 C ATOM 467 C LEU A 30 -17.207 -22.979 -1.106 1.00 24.55 C ATOM 468 O LEU A 30 -17.449 -23.849 -0.264 1.00 62.12 O ATOM 469 CB LEU A 30 -14.786 -22.306 -1.072 1.00 40.53 C ATOM 470 CG LEU A 30 -14.446 -22.548 -2.545 1.00 50.51 C ATOM 471 CD1 LEU A 30 -14.444 -21.237 -3.316 1.00 25.21 C ATOM 472 CD2 LEU A 30 -13.101 -23.243 -2.671 1.00 43.00 C ATOM 0 H LEU A 30 -15.582 -21.806 1.194 1.00 34.32 H new ATOM 0 HA LEU A 30 -16.437 -20.992 -1.411 1.00 62.32 H new ATOM 0 HB2 LEU A 30 -14.106 -21.549 -0.681 1.00 40.53 H new ATOM 0 HB3 LEU A 30 -14.593 -23.225 -0.518 1.00 40.53 H new ATOM 0 HG LEU A 30 -15.211 -23.196 -2.973 1.00 50.51 H new ATOM 0 HD11 LEU A 30 -14.200 -21.430 -4.361 1.00 25.21 H new ATOM 0 HD12 LEU A 30 -15.430 -20.776 -3.252 1.00 25.21 H new ATOM 0 HD13 LEU A 30 -13.701 -20.564 -2.888 1.00 25.21 H new ATOM 0 HD21 LEU A 30 -12.874 -23.408 -3.724 1.00 43.00 H new ATOM 0 HD22 LEU A 30 -12.326 -22.619 -2.226 1.00 43.00 H new ATOM 0 HD23 LEU A 30 -13.137 -24.202 -2.153 1.00 43.00 H new ATOM 484 N ASP A 31 -17.764 -22.969 -2.308 1.00 71.12 N ATOM 485 CA ASP A 31 -18.786 -23.946 -2.684 1.00 52.20 C ATOM 486 C ASP A 31 -18.201 -25.352 -2.803 1.00 35.35 C ATOM 487 O ASP A 31 -18.910 -26.304 -3.120 1.00 55.32 O ATOM 488 CB ASP A 31 -19.466 -23.542 -3.996 1.00 63.24 C ATOM 489 CG ASP A 31 -20.367 -22.328 -3.846 1.00 43.13 C ATOM 490 OD1 ASP A 31 -19.856 -21.186 -3.894 1.00 73.31 O ATOM 491 OD2 ASP A 31 -21.593 -22.506 -3.690 1.00 3.25 O ATOM 0 H ASP A 31 -17.529 -22.299 -3.041 1.00 71.12 H new ATOM 0 HA ASP A 31 -19.533 -23.959 -1.890 1.00 52.20 H new ATOM 0 HB2 ASP A 31 -18.703 -23.331 -4.745 1.00 63.24 H new ATOM 0 HB3 ASP A 31 -20.054 -24.381 -4.368 1.00 63.24 H new ATOM 496 N ASN A 32 -16.905 -25.473 -2.534 1.00 45.23 N ATOM 497 CA ASN A 32 -16.232 -26.766 -2.531 1.00 23.12 C ATOM 498 C ASN A 32 -15.888 -27.171 -1.093 1.00 12.12 C ATOM 499 O ASN A 32 -14.848 -27.774 -0.828 1.00 13.43 O ATOM 500 CB ASN A 32 -14.967 -26.707 -3.396 1.00 74.51 C ATOM 501 CG ASN A 32 -14.512 -28.079 -3.877 1.00 34.24 C ATOM 502 OD1 ASN A 32 -14.725 -29.093 -3.216 1.00 21.23 O ATOM 503 ND2 ASN A 32 -13.882 -28.116 -5.041 1.00 45.22 N ATOM 0 H ASN A 32 -16.297 -24.685 -2.314 1.00 45.23 H new ATOM 0 HA ASN A 32 -16.899 -27.517 -2.953 1.00 23.12 H new ATOM 0 HB2 ASN A 32 -15.153 -26.068 -4.259 1.00 74.51 H new ATOM 0 HB3 ASN A 32 -14.163 -26.243 -2.824 1.00 74.51 H new ATOM 0 HD21 ASN A 32 -13.556 -29.007 -5.416 1.00 45.22 H new ATOM 0 HD22 ASN A 32 -13.723 -27.254 -5.562 1.00 45.22 H new ATOM 510 N GLU A 33 -16.770 -26.799 -0.165 1.00 5.50 N ATOM 511 CA GLU A 33 -16.699 -27.255 1.230 1.00 10.14 C ATOM 512 C GLU A 33 -15.478 -26.717 1.978 1.00 41.03 C ATOM 513 O GLU A 33 -14.889 -27.425 2.796 1.00 74.13 O ATOM 514 CB GLU A 33 -16.686 -28.785 1.288 1.00 33.41 C ATOM 515 CG GLU A 33 -17.951 -29.436 0.765 1.00 32.10 C ATOM 516 CD GLU A 33 -17.895 -30.941 0.867 1.00 31.12 C ATOM 517 OE1 GLU A 33 -17.661 -31.605 -0.162 1.00 13.53 O ATOM 518 OE2 GLU A 33 -18.075 -31.471 1.983 1.00 43.45 O ATOM 0 H GLU A 33 -17.554 -26.174 -0.355 1.00 5.50 H new ATOM 0 HA GLU A 33 -17.587 -26.860 1.724 1.00 10.14 H new ATOM 0 HB2 GLU A 33 -15.837 -29.152 0.712 1.00 33.41 H new ATOM 0 HB3 GLU A 33 -16.530 -29.097 2.321 1.00 33.41 H new ATOM 0 HG2 GLU A 33 -18.808 -29.066 1.327 1.00 32.10 H new ATOM 0 HG3 GLU A 33 -18.104 -29.148 -0.275 1.00 32.10 H new ATOM 525 N HIS A 34 -15.106 -25.471 1.735 1.00 44.43 N ATOM 526 CA HIS A 34 -13.977 -24.885 2.451 1.00 55.10 C ATOM 527 C HIS A 34 -14.348 -23.543 3.061 1.00 53.40 C ATOM 528 O HIS A 34 -14.697 -22.605 2.351 1.00 14.30 O ATOM 529 CB HIS A 34 -12.759 -24.727 1.534 1.00 42.04 C ATOM 530 CG HIS A 34 -12.022 -26.007 1.283 1.00 42.00 C ATOM 531 ND1 HIS A 34 -11.131 -26.549 2.184 1.00 21.22 N ATOM 532 CD2 HIS A 34 -12.049 -26.859 0.230 1.00 2.52 C ATOM 533 CE1 HIS A 34 -10.643 -27.673 1.697 1.00 35.41 C ATOM 534 NE2 HIS A 34 -11.184 -27.885 0.514 1.00 5.25 N1+ ATOM 0 H HIS A 34 -15.557 -24.853 1.061 1.00 44.43 H new ATOM 0 HA HIS A 34 -13.716 -25.570 3.257 1.00 55.10 H new ATOM 0 HB2 HIS A 34 -13.085 -24.313 0.580 1.00 42.04 H new ATOM 0 HB3 HIS A 34 -12.073 -24.005 1.977 1.00 42.04 H new ATOM 0 HD2 HIS A 34 -12.641 -26.751 -0.666 1.00 2.52 H new ATOM 0 HE1 HIS A 34 -9.922 -28.312 2.185 1.00 35.41 H new ATOM 0 HE2 HIS A 34 -10.991 -28.682 -0.092 1.00 5.25 H new ATOM 543 N GLU A 35 -14.267 -23.458 4.378 1.00 70.32 N ATOM 544 CA GLU A 35 -14.530 -22.211 5.081 1.00 62.44 C ATOM 545 C GLU A 35 -13.215 -21.593 5.529 1.00 14.41 C ATOM 546 O GLU A 35 -12.396 -22.254 6.168 1.00 21.42 O ATOM 547 CB GLU A 35 -15.439 -22.450 6.289 1.00 31.35 C ATOM 548 CG GLU A 35 -16.818 -22.972 5.920 1.00 23.11 C ATOM 549 CD GLU A 35 -17.709 -23.171 7.127 1.00 43.21 C ATOM 550 OE1 GLU A 35 -17.761 -24.302 7.652 1.00 42.15 O ATOM 551 OE2 GLU A 35 -18.356 -22.198 7.563 1.00 11.04 O ATOM 0 H GLU A 35 -14.020 -24.240 4.985 1.00 70.32 H new ATOM 0 HA GLU A 35 -15.040 -21.527 4.403 1.00 62.44 H new ATOM 0 HB2 GLU A 35 -14.958 -23.162 6.960 1.00 31.35 H new ATOM 0 HB3 GLU A 35 -15.549 -21.516 6.841 1.00 31.35 H new ATOM 0 HG2 GLU A 35 -17.295 -22.273 5.233 1.00 23.11 H new ATOM 0 HG3 GLU A 35 -16.714 -23.919 5.390 1.00 23.11 H new ATOM 558 N ILE A 36 -13.008 -20.336 5.185 1.00 14.01 N ATOM 559 CA ILE A 36 -11.749 -19.670 5.483 1.00 55.41 C ATOM 560 C ILE A 36 -11.955 -18.492 6.424 1.00 52.54 C ATOM 561 O ILE A 36 -13.002 -17.836 6.402 1.00 65.25 O ATOM 562 CB ILE A 36 -11.045 -19.178 4.199 1.00 32.51 C ATOM 563 CG1 ILE A 36 -11.970 -18.253 3.398 1.00 51.05 C ATOM 564 CG2 ILE A 36 -10.602 -20.362 3.351 1.00 43.21 C ATOM 565 CD1 ILE A 36 -11.329 -17.665 2.159 1.00 1.15 C ATOM 0 H ILE A 36 -13.692 -19.755 4.700 1.00 14.01 H new ATOM 0 HA ILE A 36 -11.114 -20.410 5.970 1.00 55.41 H new ATOM 0 HB ILE A 36 -10.160 -18.609 4.485 1.00 32.51 H new ATOM 0 HG12 ILE A 36 -12.859 -18.811 3.105 1.00 51.05 H new ATOM 0 HG13 ILE A 36 -12.302 -17.440 4.044 1.00 51.05 H new ATOM 0 HG21 ILE A 36 -10.108 -19.999 2.450 1.00 43.21 H new ATOM 0 HG22 ILE A 36 -9.908 -20.979 3.922 1.00 43.21 H new ATOM 0 HG23 ILE A 36 -11.472 -20.956 3.073 1.00 43.21 H new ATOM 0 HD11 ILE A 36 -12.046 -17.023 1.648 1.00 1.15 H new ATOM 0 HD12 ILE A 36 -10.456 -17.078 2.445 1.00 1.15 H new ATOM 0 HD13 ILE A 36 -11.022 -18.470 1.491 1.00 1.15 H new ATOM 577 N ILE A 37 -10.955 -18.235 7.257 1.00 12.11 N ATOM 578 CA ILE A 37 -10.992 -17.101 8.166 1.00 13.21 C ATOM 579 C ILE A 37 -10.773 -15.817 7.380 1.00 34.11 C ATOM 580 O ILE A 37 -9.695 -15.587 6.835 1.00 13.21 O ATOM 581 CB ILE A 37 -9.917 -17.222 9.267 1.00 21.25 C ATOM 582 CG1 ILE A 37 -10.068 -18.554 10.009 1.00 43.33 C ATOM 583 CG2 ILE A 37 -10.015 -16.053 10.240 1.00 12.53 C ATOM 584 CD1 ILE A 37 -8.993 -18.797 11.045 1.00 64.25 C ATOM 0 H ILE A 37 -10.107 -18.799 7.321 1.00 12.11 H new ATOM 0 HA ILE A 37 -11.969 -17.085 8.649 1.00 13.21 H new ATOM 0 HB ILE A 37 -8.933 -17.195 8.798 1.00 21.25 H new ATOM 0 HG12 ILE A 37 -11.043 -18.580 10.496 1.00 43.33 H new ATOM 0 HG13 ILE A 37 -10.052 -19.368 9.284 1.00 43.33 H new ATOM 0 HG21 ILE A 37 -9.250 -16.155 11.009 1.00 12.53 H new ATOM 0 HG22 ILE A 37 -9.865 -15.117 9.701 1.00 12.53 H new ATOM 0 HG23 ILE A 37 -11.000 -16.049 10.706 1.00 12.53 H new ATOM 0 HD11 ILE A 37 -9.165 -19.758 11.529 1.00 64.25 H new ATOM 0 HD12 ILE A 37 -8.016 -18.804 10.561 1.00 64.25 H new ATOM 0 HD13 ILE A 37 -9.022 -18.004 11.792 1.00 64.25 H new ATOM 596 N CYS A 38 -11.800 -14.997 7.306 1.00 21.45 N ATOM 597 CA CYS A 38 -11.747 -13.803 6.490 1.00 21.32 C ATOM 598 C CYS A 38 -11.419 -12.580 7.341 1.00 30.04 C ATOM 599 O CYS A 38 -11.890 -12.454 8.471 1.00 21.42 O ATOM 600 CB CYS A 38 -13.082 -13.614 5.777 1.00 45.42 C ATOM 601 SG CYS A 38 -13.710 -15.122 4.996 1.00 3.52 S ATOM 0 H CYS A 38 -12.681 -15.135 7.801 1.00 21.45 H new ATOM 0 HA CYS A 38 -10.957 -13.917 5.748 1.00 21.32 H new ATOM 0 HB2 CYS A 38 -13.819 -13.253 6.494 1.00 45.42 H new ATOM 0 HB3 CYS A 38 -12.972 -12.841 5.017 1.00 45.42 H new ATOM 0 HG CYS A 38 -13.336 -16.157 5.688 1.00 3.52 H new ATOM 607 N HIS A 39 -10.613 -11.685 6.794 1.00 72.21 N ATOM 608 CA HIS A 39 -10.233 -10.467 7.493 1.00 13.34 C ATOM 609 C HIS A 39 -9.948 -9.371 6.477 1.00 21.14 C ATOM 610 O HIS A 39 -9.174 -9.573 5.542 1.00 44.42 O ATOM 611 CB HIS A 39 -8.996 -10.717 8.366 1.00 34.01 C ATOM 612 CG HIS A 39 -8.626 -9.560 9.244 1.00 44.22 C ATOM 613 ND1 HIS A 39 -7.652 -8.643 8.915 1.00 43.12 N ATOM 614 CD2 HIS A 39 -9.101 -9.179 10.455 1.00 24.12 C ATOM 615 CE1 HIS A 39 -7.544 -7.753 9.882 1.00 51.20 C ATOM 616 NE2 HIS A 39 -8.412 -8.053 10.828 1.00 44.35 N1+ ATOM 0 H HIS A 39 -10.207 -11.779 5.863 1.00 72.21 H new ATOM 0 HA HIS A 39 -11.052 -10.154 8.141 1.00 13.34 H new ATOM 0 HB2 HIS A 39 -9.176 -11.591 8.991 1.00 34.01 H new ATOM 0 HB3 HIS A 39 -8.151 -10.955 7.721 1.00 34.01 H new ATOM 0 HD1 HIS A 39 -7.100 -8.651 8.057 1.00 43.12 H new ATOM 0 HD2 HIS A 39 -9.878 -9.671 11.021 1.00 24.12 H new ATOM 0 HE1 HIS A 39 -6.859 -6.918 9.897 1.00 51.20 H new ATOM 625 N VAL A 40 -10.580 -8.220 6.648 1.00 23.42 N ATOM 626 CA VAL A 40 -10.382 -7.114 5.725 1.00 33.23 C ATOM 627 C VAL A 40 -8.999 -6.491 5.909 1.00 14.24 C ATOM 628 O VAL A 40 -8.668 -5.978 6.979 1.00 70.11 O ATOM 629 CB VAL A 40 -11.476 -6.034 5.882 1.00 53.13 C ATOM 630 CG1 VAL A 40 -12.795 -6.536 5.324 1.00 64.20 C ATOM 631 CG2 VAL A 40 -11.643 -5.627 7.340 1.00 4.00 C ATOM 0 H VAL A 40 -11.229 -8.028 7.411 1.00 23.42 H new ATOM 0 HA VAL A 40 -10.454 -7.521 4.717 1.00 33.23 H new ATOM 0 HB VAL A 40 -11.164 -5.155 5.319 1.00 53.13 H new ATOM 0 HG11 VAL A 40 -13.557 -5.765 5.441 1.00 64.20 H new ATOM 0 HG12 VAL A 40 -12.677 -6.771 4.266 1.00 64.20 H new ATOM 0 HG13 VAL A 40 -13.100 -7.433 5.863 1.00 64.20 H new ATOM 0 HG21 VAL A 40 -12.419 -4.866 7.419 1.00 4.00 H new ATOM 0 HG22 VAL A 40 -11.927 -6.498 7.931 1.00 4.00 H new ATOM 0 HG23 VAL A 40 -10.702 -5.225 7.716 1.00 4.00 H new ATOM 641 N SER A 41 -8.188 -6.562 4.859 1.00 44.34 N ATOM 642 CA SER A 41 -6.836 -6.007 4.874 1.00 31.22 C ATOM 643 C SER A 41 -6.335 -5.805 3.447 1.00 12.00 C ATOM 644 O SER A 41 -5.288 -6.329 3.068 1.00 23.54 O ATOM 645 CB SER A 41 -5.875 -6.944 5.623 1.00 32.01 C ATOM 646 OG SER A 41 -6.319 -7.195 6.946 1.00 31.10 O ATOM 0 H SER A 41 -8.446 -7.003 3.976 1.00 44.34 H new ATOM 0 HA SER A 41 -6.868 -5.046 5.388 1.00 31.22 H new ATOM 0 HB2 SER A 41 -5.789 -7.886 5.082 1.00 32.01 H new ATOM 0 HB3 SER A 41 -4.880 -6.500 5.650 1.00 32.01 H new ATOM 0 HG SER A 41 -6.964 -6.507 7.211 1.00 31.10 H new ATOM 652 N GLY A 42 -7.086 -5.058 2.650 1.00 62.14 N ATOM 653 CA GLY A 42 -6.693 -4.859 1.270 1.00 11.41 C ATOM 654 C GLY A 42 -7.421 -3.716 0.597 1.00 0.43 C ATOM 655 O GLY A 42 -7.604 -2.647 1.182 1.00 52.01 O ATOM 0 H GLY A 42 -7.949 -4.592 2.929 1.00 62.14 H new ATOM 0 HA2 GLY A 42 -5.620 -4.671 1.229 1.00 11.41 H new ATOM 0 HA3 GLY A 42 -6.877 -5.777 0.711 1.00 11.41 H new ATOM 659 N LYS A 43 -7.862 -3.970 -0.631 1.00 52.34 N ATOM 660 CA LYS A 43 -8.498 -2.968 -1.480 1.00 14.32 C ATOM 661 C LYS A 43 -9.794 -2.442 -0.858 1.00 24.23 C ATOM 662 O LYS A 43 -10.288 -1.379 -1.238 1.00 53.11 O ATOM 663 CB LYS A 43 -8.765 -3.584 -2.856 1.00 3.13 C ATOM 664 CG LYS A 43 -9.146 -2.588 -3.933 1.00 40.43 C ATOM 665 CD LYS A 43 -9.088 -3.229 -5.312 1.00 31.41 C ATOM 666 CE LYS A 43 -10.092 -4.364 -5.451 1.00 74.02 C ATOM 667 NZ LYS A 43 -9.873 -5.153 -6.692 1.00 71.02 N1+ ATOM 0 H LYS A 43 -7.787 -4.888 -1.070 1.00 52.34 H new ATOM 0 HA LYS A 43 -7.828 -2.114 -1.582 1.00 14.32 H new ATOM 0 HB2 LYS A 43 -7.873 -4.122 -3.177 1.00 3.13 H new ATOM 0 HB3 LYS A 43 -9.564 -4.319 -2.761 1.00 3.13 H new ATOM 0 HG2 LYS A 43 -10.151 -2.210 -3.745 1.00 40.43 H new ATOM 0 HG3 LYS A 43 -8.472 -1.732 -3.897 1.00 40.43 H new ATOM 0 HD2 LYS A 43 -9.286 -2.474 -6.072 1.00 31.41 H new ATOM 0 HD3 LYS A 43 -8.083 -3.609 -5.494 1.00 31.41 H new ATOM 0 HE2 LYS A 43 -10.017 -5.022 -4.585 1.00 74.02 H new ATOM 0 HE3 LYS A 43 -11.103 -3.956 -5.455 1.00 74.02 H new ATOM 0 HZ1 LYS A 43 -10.578 -5.916 -6.747 1.00 71.02 H new ATOM 0 HZ2 LYS A 43 -9.970 -4.531 -7.520 1.00 71.02 H new ATOM 0 HZ3 LYS A 43 -8.918 -5.565 -6.678 1.00 71.02 H new ATOM 681 N VAL A 44 -10.333 -3.192 0.100 1.00 20.14 N ATOM 682 CA VAL A 44 -11.524 -2.777 0.837 1.00 32.12 C ATOM 683 C VAL A 44 -11.317 -1.393 1.451 1.00 31.35 C ATOM 684 O VAL A 44 -12.218 -0.556 1.450 1.00 5.44 O ATOM 685 CB VAL A 44 -11.854 -3.771 1.970 1.00 21.22 C ATOM 686 CG1 VAL A 44 -13.236 -3.498 2.546 1.00 13.34 C ATOM 687 CG2 VAL A 44 -11.743 -5.209 1.483 1.00 43.34 C ATOM 0 H VAL A 44 -9.960 -4.097 0.386 1.00 20.14 H new ATOM 0 HA VAL A 44 -12.351 -2.752 0.128 1.00 32.12 H new ATOM 0 HB VAL A 44 -11.123 -3.629 2.766 1.00 21.22 H new ATOM 0 HG11 VAL A 44 -13.446 -4.212 3.343 1.00 13.34 H new ATOM 0 HG12 VAL A 44 -13.269 -2.485 2.948 1.00 13.34 H new ATOM 0 HG13 VAL A 44 -13.985 -3.601 1.760 1.00 13.34 H new ATOM 0 HG21 VAL A 44 -11.981 -5.889 2.301 1.00 43.34 H new ATOM 0 HG22 VAL A 44 -12.442 -5.370 0.662 1.00 43.34 H new ATOM 0 HG23 VAL A 44 -10.727 -5.399 1.137 1.00 43.34 H new ATOM 697 N ARG A 45 -10.105 -1.159 1.942 1.00 63.35 N ATOM 698 CA ARG A 45 -9.763 0.087 2.619 1.00 61.30 C ATOM 699 C ARG A 45 -9.703 1.244 1.621 1.00 74.15 C ATOM 700 O ARG A 45 -9.964 2.393 1.973 1.00 65.35 O ATOM 701 CB ARG A 45 -8.418 -0.090 3.347 1.00 20.32 C ATOM 702 CG ARG A 45 -8.031 1.048 4.289 1.00 42.31 C ATOM 703 CD ARG A 45 -7.328 2.184 3.560 1.00 1.35 C ATOM 704 NE ARG A 45 -6.827 3.197 4.485 1.00 74.22 N ATOM 705 CZ ARG A 45 -6.431 4.414 4.124 1.00 51.51 C ATOM 706 NH1 ARG A 45 -6.496 4.794 2.852 1.00 11.44 N ATOM 707 NH2 ARG A 45 -5.982 5.255 5.046 1.00 43.24 N ATOM 0 H ARG A 45 -9.334 -1.825 1.882 1.00 63.35 H new ATOM 0 HA ARG A 45 -10.534 0.329 3.351 1.00 61.30 H new ATOM 0 HB2 ARG A 45 -8.453 -1.017 3.919 1.00 20.32 H new ATOM 0 HB3 ARG A 45 -7.632 -0.205 2.601 1.00 20.32 H new ATOM 0 HG2 ARG A 45 -8.926 1.432 4.779 1.00 42.31 H new ATOM 0 HG3 ARG A 45 -7.379 0.663 5.073 1.00 42.31 H new ATOM 0 HD2 ARG A 45 -6.499 1.783 2.977 1.00 1.35 H new ATOM 0 HD3 ARG A 45 -8.019 2.646 2.855 1.00 1.35 H new ATOM 0 HE ARG A 45 -6.778 2.955 5.475 1.00 74.22 H new ATOM 0 HH11 ARG A 45 -6.852 4.150 2.145 1.00 11.44 H new ATOM 0 HH12 ARG A 45 -6.190 5.729 2.583 1.00 11.44 H new ATOM 0 HH21 ARG A 45 -5.942 4.966 6.024 1.00 43.24 H new ATOM 0 HH22 ARG A 45 -5.676 6.190 4.778 1.00 43.24 H new ATOM 721 N ARG A 46 -9.374 0.927 0.375 1.00 55.02 N ATOM 722 CA ARG A 46 -9.242 1.943 -0.663 1.00 4.02 C ATOM 723 C ARG A 46 -10.610 2.427 -1.125 1.00 34.13 C ATOM 724 O ARG A 46 -10.894 3.624 -1.130 1.00 41.50 O ATOM 725 CB ARG A 46 -8.499 1.393 -1.883 1.00 23.53 C ATOM 726 CG ARG A 46 -7.114 0.830 -1.609 1.00 21.34 C ATOM 727 CD ARG A 46 -6.484 0.356 -2.907 1.00 64.12 C ATOM 728 NE ARG A 46 -5.198 -0.310 -2.724 1.00 14.33 N ATOM 729 CZ ARG A 46 -4.595 -1.007 -3.689 1.00 72.41 C ATOM 730 NH1 ARG A 46 -5.174 -1.140 -4.878 1.00 53.33 N ATOM 731 NH2 ARG A 46 -3.417 -1.572 -3.476 1.00 61.24 N ATOM 0 H ARG A 46 -9.194 -0.026 0.058 1.00 55.02 H new ATOM 0 HA ARG A 46 -8.679 2.769 -0.228 1.00 4.02 H new ATOM 0 HB2 ARG A 46 -9.108 0.609 -2.334 1.00 23.53 H new ATOM 0 HB3 ARG A 46 -8.408 2.190 -2.621 1.00 23.53 H new ATOM 0 HG2 ARG A 46 -6.487 1.592 -1.147 1.00 21.34 H new ATOM 0 HG3 ARG A 46 -7.181 0.002 -0.903 1.00 21.34 H new ATOM 0 HD2 ARG A 46 -7.170 -0.329 -3.405 1.00 64.12 H new ATOM 0 HD3 ARG A 46 -6.350 1.211 -3.569 1.00 64.12 H new ATOM 0 HE ARG A 46 -4.739 -0.239 -1.816 1.00 14.33 H new ATOM 0 HH11 ARG A 46 -6.081 -0.709 -5.055 1.00 53.33 H new ATOM 0 HH12 ARG A 46 -4.711 -1.673 -5.614 1.00 53.33 H new ATOM 0 HH21 ARG A 46 -2.962 -1.477 -2.568 1.00 61.24 H new ATOM 0 HH22 ARG A 46 -2.964 -2.103 -4.220 1.00 61.24 H new ATOM 745 N SER A 47 -11.455 1.482 -1.510 1.00 1.24 N ATOM 746 CA SER A 47 -12.708 1.807 -2.169 1.00 53.32 C ATOM 747 C SER A 47 -13.849 1.977 -1.169 1.00 52.30 C ATOM 748 O SER A 47 -14.937 2.414 -1.546 1.00 2.25 O ATOM 749 CB SER A 47 -13.047 0.715 -3.187 1.00 24.30 C ATOM 750 OG SER A 47 -14.127 1.102 -4.018 1.00 3.30 O ATOM 0 H SER A 47 -11.294 0.484 -1.377 1.00 1.24 H new ATOM 0 HA SER A 47 -12.585 2.761 -2.682 1.00 53.32 H new ATOM 0 HB2 SER A 47 -12.171 0.503 -3.801 1.00 24.30 H new ATOM 0 HB3 SER A 47 -13.301 -0.207 -2.664 1.00 24.30 H new ATOM 0 HG SER A 47 -14.770 1.627 -3.496 1.00 3.30 H new ATOM 756 N LYS A 48 -13.598 1.628 0.095 1.00 75.43 N ATOM 757 CA LYS A 48 -14.605 1.748 1.153 1.00 52.22 C ATOM 758 C LYS A 48 -15.884 0.996 0.791 1.00 74.22 C ATOM 759 O LYS A 48 -16.986 1.523 0.947 1.00 53.25 O ATOM 760 CB LYS A 48 -14.937 3.218 1.426 1.00 34.54 C ATOM 761 CG LYS A 48 -13.821 4.004 2.094 1.00 52.52 C ATOM 762 CD LYS A 48 -14.238 5.447 2.319 1.00 72.42 C ATOM 763 CE LYS A 48 -13.200 6.224 3.112 1.00 25.01 C ATOM 764 NZ LYS A 48 -13.614 7.636 3.317 1.00 74.43 N1+ ATOM 0 H LYS A 48 -12.702 1.258 0.412 1.00 75.43 H new ATOM 0 HA LYS A 48 -14.182 1.303 2.054 1.00 52.22 H new ATOM 0 HB2 LYS A 48 -15.190 3.701 0.482 1.00 34.54 H new ATOM 0 HB3 LYS A 48 -15.825 3.266 2.056 1.00 34.54 H new ATOM 0 HG2 LYS A 48 -13.565 3.542 3.047 1.00 52.52 H new ATOM 0 HG3 LYS A 48 -12.926 3.972 1.473 1.00 52.52 H new ATOM 0 HD2 LYS A 48 -14.396 5.933 1.356 1.00 72.42 H new ATOM 0 HD3 LYS A 48 -15.191 5.471 2.848 1.00 72.42 H new ATOM 0 HE2 LYS A 48 -13.046 5.745 4.079 1.00 25.01 H new ATOM 0 HE3 LYS A 48 -12.245 6.197 2.587 1.00 25.01 H new ATOM 0 HZ1 LYS A 48 -12.883 8.137 3.861 1.00 74.43 H new ATOM 0 HZ2 LYS A 48 -13.736 8.099 2.394 1.00 74.43 H new ATOM 0 HZ3 LYS A 48 -14.513 7.662 3.839 1.00 74.43 H new ATOM 778 N ILE A 49 -15.740 -0.234 0.318 1.00 4.41 N ATOM 779 CA ILE A 49 -16.895 -1.037 -0.066 1.00 53.00 C ATOM 780 C ILE A 49 -17.505 -1.719 1.156 1.00 32.43 C ATOM 781 O ILE A 49 -16.790 -2.189 2.044 1.00 74.04 O ATOM 782 CB ILE A 49 -16.525 -2.084 -1.144 1.00 25.20 C ATOM 783 CG1 ILE A 49 -16.067 -1.367 -2.421 1.00 73.53 C ATOM 784 CG2 ILE A 49 -17.702 -3.010 -1.438 1.00 62.44 C ATOM 785 CD1 ILE A 49 -15.772 -2.296 -3.580 1.00 60.12 C ATOM 0 H ILE A 49 -14.840 -0.697 0.191 1.00 4.41 H new ATOM 0 HA ILE A 49 -17.637 -0.365 -0.497 1.00 53.00 H new ATOM 0 HB ILE A 49 -15.708 -2.700 -0.767 1.00 25.20 H new ATOM 0 HG12 ILE A 49 -16.839 -0.659 -2.724 1.00 73.53 H new ATOM 0 HG13 ILE A 49 -15.172 -0.786 -2.198 1.00 73.53 H new ATOM 0 HG21 ILE A 49 -17.413 -3.735 -2.199 1.00 62.44 H new ATOM 0 HG22 ILE A 49 -17.988 -3.535 -0.527 1.00 62.44 H new ATOM 0 HG23 ILE A 49 -18.546 -2.422 -1.799 1.00 62.44 H new ATOM 0 HD11 ILE A 49 -15.455 -1.711 -4.443 1.00 60.12 H new ATOM 0 HD12 ILE A 49 -14.978 -2.988 -3.299 1.00 60.12 H new ATOM 0 HD13 ILE A 49 -16.671 -2.859 -3.833 1.00 60.12 H new ATOM 797 N ARG A 50 -18.830 -1.748 1.202 1.00 75.12 N ATOM 798 CA ARG A 50 -19.547 -2.294 2.342 1.00 52.31 C ATOM 799 C ARG A 50 -19.760 -3.798 2.189 1.00 21.33 C ATOM 800 O ARG A 50 -20.289 -4.260 1.178 1.00 74.30 O ATOM 801 CB ARG A 50 -20.896 -1.582 2.501 1.00 54.34 C ATOM 802 CG ARG A 50 -21.665 -1.994 3.744 1.00 21.04 C ATOM 803 CD ARG A 50 -20.870 -1.694 5.004 1.00 11.30 C ATOM 804 NE ARG A 50 -21.556 -2.140 6.214 1.00 2.01 N ATOM 805 CZ ARG A 50 -20.962 -2.825 7.192 1.00 51.34 C ATOM 806 NH1 ARG A 50 -19.676 -3.151 7.091 1.00 40.12 N ATOM 807 NH2 ARG A 50 -21.654 -3.173 8.271 1.00 70.12 N ATOM 0 H ARG A 50 -19.432 -1.397 0.457 1.00 75.12 H new ATOM 0 HA ARG A 50 -18.945 -2.128 3.236 1.00 52.31 H new ATOM 0 HB2 ARG A 50 -20.727 -0.506 2.530 1.00 54.34 H new ATOM 0 HB3 ARG A 50 -21.509 -1.785 1.623 1.00 54.34 H new ATOM 0 HG2 ARG A 50 -22.618 -1.466 3.777 1.00 21.04 H new ATOM 0 HG3 ARG A 50 -21.892 -3.059 3.699 1.00 21.04 H new ATOM 0 HD2 ARG A 50 -19.897 -2.181 4.941 1.00 11.30 H new ATOM 0 HD3 ARG A 50 -20.686 -0.621 5.068 1.00 11.30 H new ATOM 0 HE ARG A 50 -22.545 -1.915 6.317 1.00 2.01 H new ATOM 0 HH11 ARG A 50 -19.144 -2.877 6.265 1.00 40.12 H new ATOM 0 HH12 ARG A 50 -19.222 -3.675 7.839 1.00 40.12 H new ATOM 0 HH21 ARG A 50 -22.638 -2.916 8.351 1.00 70.12 H new ATOM 0 HH22 ARG A 50 -21.201 -3.697 9.020 1.00 70.12 H new ATOM 821 N ILE A 51 -19.330 -4.553 3.191 1.00 0.13 N ATOM 822 CA ILE A 51 -19.535 -5.995 3.212 1.00 62.33 C ATOM 823 C ILE A 51 -20.831 -6.318 3.947 1.00 40.40 C ATOM 824 O ILE A 51 -21.028 -5.880 5.081 1.00 23.14 O ATOM 825 CB ILE A 51 -18.370 -6.748 3.906 1.00 54.30 C ATOM 826 CG1 ILE A 51 -17.012 -6.384 3.292 1.00 73.41 C ATOM 827 CG2 ILE A 51 -18.588 -8.252 3.823 1.00 23.43 C ATOM 828 CD1 ILE A 51 -16.394 -5.122 3.853 1.00 41.11 C ATOM 0 H ILE A 51 -18.834 -4.188 4.004 1.00 0.13 H new ATOM 0 HA ILE A 51 -19.582 -6.327 2.175 1.00 62.33 H new ATOM 0 HB ILE A 51 -18.359 -6.440 4.952 1.00 54.30 H new ATOM 0 HG12 ILE A 51 -16.322 -7.213 3.448 1.00 73.41 H new ATOM 0 HG13 ILE A 51 -17.133 -6.268 2.215 1.00 73.41 H new ATOM 0 HG21 ILE A 51 -17.762 -8.767 4.314 1.00 23.43 H new ATOM 0 HG22 ILE A 51 -19.524 -8.512 4.318 1.00 23.43 H new ATOM 0 HG23 ILE A 51 -18.634 -8.556 2.777 1.00 23.43 H new ATOM 0 HD11 ILE A 51 -15.437 -4.938 3.365 1.00 41.11 H new ATOM 0 HD12 ILE A 51 -17.061 -4.279 3.673 1.00 41.11 H new ATOM 0 HD13 ILE A 51 -16.238 -5.239 4.925 1.00 41.11 H new ATOM 840 N ILE A 52 -21.717 -7.063 3.297 1.00 53.42 N ATOM 841 CA ILE A 52 -22.989 -7.445 3.904 1.00 60.55 C ATOM 842 C ILE A 52 -23.208 -8.952 3.802 1.00 11.21 C ATOM 843 O ILE A 52 -22.757 -9.589 2.851 1.00 22.14 O ATOM 844 CB ILE A 52 -24.206 -6.711 3.270 1.00 13.35 C ATOM 845 CG1 ILE A 52 -24.377 -7.051 1.778 1.00 21.52 C ATOM 846 CG2 ILE A 52 -24.080 -5.207 3.465 1.00 41.23 C ATOM 847 CD1 ILE A 52 -23.370 -6.390 0.856 1.00 42.50 C ATOM 0 H ILE A 52 -21.579 -7.415 2.350 1.00 53.42 H new ATOM 0 HA ILE A 52 -22.925 -7.146 4.950 1.00 60.55 H new ATOM 0 HB ILE A 52 -25.101 -7.062 3.784 1.00 13.35 H new ATOM 0 HG12 ILE A 52 -24.306 -8.132 1.656 1.00 21.52 H new ATOM 0 HG13 ILE A 52 -25.380 -6.760 1.466 1.00 21.52 H new ATOM 0 HG21 ILE A 52 -24.939 -4.709 3.016 1.00 41.23 H new ATOM 0 HG22 ILE A 52 -24.045 -4.980 4.531 1.00 41.23 H new ATOM 0 HG23 ILE A 52 -23.166 -4.854 2.989 1.00 41.23 H new ATOM 0 HD11 ILE A 52 -23.569 -6.688 -0.173 1.00 42.50 H new ATOM 0 HD12 ILE A 52 -23.454 -5.307 0.943 1.00 42.50 H new ATOM 0 HD13 ILE A 52 -22.363 -6.700 1.135 1.00 42.50 H new ATOM 859 N ILE A 53 -23.899 -9.514 4.788 1.00 5.23 N ATOM 860 CA ILE A 53 -24.185 -10.943 4.808 1.00 33.03 C ATOM 861 C ILE A 53 -25.269 -11.291 3.794 1.00 22.34 C ATOM 862 O ILE A 53 -26.243 -10.554 3.632 1.00 64.25 O ATOM 863 CB ILE A 53 -24.626 -11.421 6.215 1.00 2.04 C ATOM 864 CG1 ILE A 53 -23.511 -11.185 7.236 1.00 64.02 C ATOM 865 CG2 ILE A 53 -25.012 -12.894 6.192 1.00 24.01 C ATOM 866 CD1 ILE A 53 -23.863 -11.645 8.635 1.00 30.54 C ATOM 0 H ILE A 53 -24.272 -8.999 5.586 1.00 5.23 H new ATOM 0 HA ILE A 53 -23.261 -11.456 4.543 1.00 33.03 H new ATOM 0 HB ILE A 53 -25.500 -10.840 6.509 1.00 2.04 H new ATOM 0 HG12 ILE A 53 -22.612 -11.706 6.907 1.00 64.02 H new ATOM 0 HG13 ILE A 53 -23.272 -10.122 7.261 1.00 64.02 H new ATOM 0 HG21 ILE A 53 -25.318 -13.206 7.191 1.00 24.01 H new ATOM 0 HG22 ILE A 53 -25.838 -13.043 5.497 1.00 24.01 H new ATOM 0 HG23 ILE A 53 -24.157 -13.489 5.872 1.00 24.01 H new ATOM 0 HD11 ILE A 53 -23.026 -11.446 9.305 1.00 30.54 H new ATOM 0 HD12 ILE A 53 -24.743 -11.106 8.985 1.00 30.54 H new ATOM 0 HD13 ILE A 53 -24.073 -12.715 8.624 1.00 30.54 H new ATOM 878 N GLY A 54 -25.086 -12.410 3.107 1.00 31.41 N ATOM 879 CA GLY A 54 -26.065 -12.855 2.142 1.00 71.44 C ATOM 880 C GLY A 54 -25.617 -12.588 0.725 1.00 1.23 C ATOM 881 O GLY A 54 -26.165 -13.146 -0.228 1.00 71.13 O ATOM 0 H GLY A 54 -24.273 -13.018 3.203 1.00 31.41 H new ATOM 0 HA2 GLY A 54 -26.244 -13.922 2.272 1.00 71.44 H new ATOM 0 HA3 GLY A 54 -27.012 -12.348 2.325 1.00 71.44 H new ATOM 885 N ASP A 55 -24.615 -11.737 0.582 1.00 23.44 N ATOM 886 CA ASP A 55 -24.094 -11.390 -0.729 1.00 31.50 C ATOM 887 C ASP A 55 -22.882 -12.260 -1.044 1.00 54.51 C ATOM 888 O ASP A 55 -22.436 -13.045 -0.200 1.00 62.32 O ATOM 889 CB ASP A 55 -23.707 -9.905 -0.773 1.00 50.33 C ATOM 890 CG ASP A 55 -23.901 -9.283 -2.145 1.00 70.25 C ATOM 891 OD1 ASP A 55 -23.495 -9.893 -3.147 1.00 61.33 O ATOM 892 OD2 ASP A 55 -24.483 -8.178 -2.227 1.00 5.50 O ATOM 0 H ASP A 55 -24.145 -11.273 1.359 1.00 23.44 H new ATOM 0 HA ASP A 55 -24.866 -11.567 -1.478 1.00 31.50 H new ATOM 0 HB2 ASP A 55 -24.304 -9.358 -0.044 1.00 50.33 H new ATOM 0 HB3 ASP A 55 -22.664 -9.798 -0.475 1.00 50.33 H new ATOM 897 N ARG A 56 -22.356 -12.125 -2.247 1.00 61.54 N ATOM 898 CA ARG A 56 -21.175 -12.866 -2.649 1.00 34.24 C ATOM 899 C ARG A 56 -19.936 -12.036 -2.360 1.00 45.14 C ATOM 900 O ARG A 56 -19.997 -10.806 -2.296 1.00 42.15 O ATOM 901 CB ARG A 56 -21.243 -13.236 -4.136 1.00 31.02 C ATOM 902 CG ARG A 56 -22.300 -14.283 -4.456 1.00 43.04 C ATOM 903 CD ARG A 56 -21.831 -15.694 -4.120 1.00 74.25 C ATOM 904 NE ARG A 56 -20.909 -16.225 -5.132 1.00 51.31 N ATOM 905 CZ ARG A 56 -20.530 -17.506 -5.208 1.00 20.42 C ATOM 906 NH1 ARG A 56 -20.927 -18.385 -4.293 1.00 72.44 N ATOM 907 NH2 ARG A 56 -19.745 -17.898 -6.201 1.00 64.22 N ATOM 0 H ARG A 56 -22.730 -11.506 -2.966 1.00 61.54 H new ATOM 0 HA ARG A 56 -21.127 -13.793 -2.078 1.00 34.24 H new ATOM 0 HB2 ARG A 56 -21.447 -12.336 -4.717 1.00 31.02 H new ATOM 0 HB3 ARG A 56 -20.269 -13.606 -4.454 1.00 31.02 H new ATOM 0 HG2 ARG A 56 -23.210 -14.061 -3.898 1.00 43.04 H new ATOM 0 HG3 ARG A 56 -22.554 -14.229 -5.514 1.00 43.04 H new ATOM 0 HD2 ARG A 56 -21.338 -15.690 -3.148 1.00 74.25 H new ATOM 0 HD3 ARG A 56 -22.695 -16.353 -4.036 1.00 74.25 H new ATOM 0 HE ARG A 56 -20.533 -15.575 -5.822 1.00 51.31 H new ATOM 0 HH11 ARG A 56 -21.526 -18.085 -3.524 1.00 72.44 H new ATOM 0 HH12 ARG A 56 -20.632 -19.359 -4.360 1.00 72.44 H new ATOM 0 HH21 ARG A 56 -19.434 -17.225 -6.901 1.00 64.22 H new ATOM 0 HH22 ARG A 56 -19.452 -18.873 -6.265 1.00 64.22 H new ATOM 921 N VAL A 57 -18.818 -12.697 -2.159 1.00 34.34 N ATOM 922 CA VAL A 57 -17.589 -12.000 -1.848 1.00 13.30 C ATOM 923 C VAL A 57 -16.476 -12.415 -2.794 1.00 14.24 C ATOM 924 O VAL A 57 -16.489 -13.516 -3.346 1.00 11.22 O ATOM 925 CB VAL A 57 -17.143 -12.244 -0.389 1.00 50.45 C ATOM 926 CG1 VAL A 57 -18.186 -11.722 0.590 1.00 74.34 C ATOM 927 CG2 VAL A 57 -16.870 -13.719 -0.147 1.00 61.31 C ATOM 0 H VAL A 57 -18.734 -13.712 -2.205 1.00 34.34 H new ATOM 0 HA VAL A 57 -17.790 -10.936 -1.972 1.00 13.30 H new ATOM 0 HB VAL A 57 -16.216 -11.695 -0.223 1.00 50.45 H new ATOM 0 HG11 VAL A 57 -17.850 -11.905 1.611 1.00 74.34 H new ATOM 0 HG12 VAL A 57 -18.323 -10.651 0.439 1.00 74.34 H new ATOM 0 HG13 VAL A 57 -19.132 -12.236 0.422 1.00 74.34 H new ATOM 0 HG21 VAL A 57 -16.557 -13.866 0.887 1.00 61.31 H new ATOM 0 HG22 VAL A 57 -17.777 -14.293 -0.337 1.00 61.31 H new ATOM 0 HG23 VAL A 57 -16.079 -14.057 -0.817 1.00 61.31 H new ATOM 937 N LEU A 58 -15.533 -11.517 -2.993 1.00 2.02 N ATOM 938 CA LEU A 58 -14.350 -11.808 -3.778 1.00 21.13 C ATOM 939 C LEU A 58 -13.164 -11.927 -2.837 1.00 22.22 C ATOM 940 O LEU A 58 -12.880 -11.002 -2.074 1.00 51.54 O ATOM 941 CB LEU A 58 -14.105 -10.703 -4.812 1.00 41.44 C ATOM 942 CG LEU A 58 -12.934 -10.949 -5.768 1.00 10.44 C ATOM 943 CD1 LEU A 58 -13.205 -12.163 -6.644 1.00 35.22 C ATOM 944 CD2 LEU A 58 -12.680 -9.717 -6.621 1.00 14.22 C ATOM 0 H LEU A 58 -15.564 -10.569 -2.617 1.00 2.02 H new ATOM 0 HA LEU A 58 -14.488 -12.744 -4.319 1.00 21.13 H new ATOM 0 HB2 LEU A 58 -15.012 -10.572 -5.401 1.00 41.44 H new ATOM 0 HB3 LEU A 58 -13.930 -9.766 -4.283 1.00 41.44 H new ATOM 0 HG LEU A 58 -12.040 -11.149 -5.177 1.00 10.44 H new ATOM 0 HD11 LEU A 58 -12.362 -12.322 -7.317 1.00 35.22 H new ATOM 0 HD12 LEU A 58 -13.338 -13.043 -6.015 1.00 35.22 H new ATOM 0 HD13 LEU A 58 -14.109 -11.995 -7.229 1.00 35.22 H new ATOM 0 HD21 LEU A 58 -11.845 -9.907 -7.295 1.00 14.22 H new ATOM 0 HD22 LEU A 58 -13.572 -9.488 -7.204 1.00 14.22 H new ATOM 0 HD23 LEU A 58 -12.441 -8.871 -5.976 1.00 14.22 H new ATOM 956 N VAL A 59 -12.501 -13.069 -2.867 1.00 63.31 N ATOM 957 CA VAL A 59 -11.390 -13.317 -1.968 1.00 54.11 C ATOM 958 C VAL A 59 -10.089 -13.505 -2.735 1.00 0.14 C ATOM 959 O VAL A 59 -9.978 -14.374 -3.604 1.00 20.32 O ATOM 960 CB VAL A 59 -11.652 -14.542 -1.054 1.00 5.11 C ATOM 961 CG1 VAL A 59 -12.174 -15.727 -1.851 1.00 43.32 C ATOM 962 CG2 VAL A 59 -10.390 -14.928 -0.291 1.00 52.22 C ATOM 0 H VAL A 59 -12.713 -13.838 -3.503 1.00 63.31 H new ATOM 0 HA VAL A 59 -11.295 -12.436 -1.334 1.00 54.11 H new ATOM 0 HB VAL A 59 -12.419 -14.257 -0.334 1.00 5.11 H new ATOM 0 HG11 VAL A 59 -12.347 -16.569 -1.180 1.00 43.32 H new ATOM 0 HG12 VAL A 59 -13.109 -15.454 -2.339 1.00 43.32 H new ATOM 0 HG13 VAL A 59 -11.440 -16.010 -2.606 1.00 43.32 H new ATOM 0 HG21 VAL A 59 -10.598 -15.790 0.344 1.00 52.22 H new ATOM 0 HG22 VAL A 59 -9.600 -15.180 -0.998 1.00 52.22 H new ATOM 0 HG23 VAL A 59 -10.069 -14.090 0.328 1.00 52.22 H new ATOM 972 N GLU A 60 -9.122 -12.657 -2.422 1.00 64.11 N ATOM 973 CA GLU A 60 -7.786 -12.766 -2.979 1.00 30.13 C ATOM 974 C GLU A 60 -6.807 -13.223 -1.896 1.00 53.34 C ATOM 975 O GLU A 60 -6.574 -12.517 -0.910 1.00 22.54 O ATOM 976 CB GLU A 60 -7.349 -11.423 -3.580 1.00 31.12 C ATOM 977 CG GLU A 60 -7.518 -10.246 -2.632 1.00 71.52 C ATOM 978 CD GLU A 60 -7.000 -8.941 -3.198 1.00 31.13 C ATOM 979 OE1 GLU A 60 -5.813 -8.614 -2.969 1.00 12.25 O ATOM 980 OE2 GLU A 60 -7.785 -8.213 -3.840 1.00 71.11 O ATOM 0 H GLU A 60 -9.242 -11.876 -1.776 1.00 64.11 H new ATOM 0 HA GLU A 60 -7.791 -13.508 -3.777 1.00 30.13 H new ATOM 0 HB2 GLU A 60 -6.303 -11.491 -3.878 1.00 31.12 H new ATOM 0 HB3 GLU A 60 -7.926 -11.235 -4.485 1.00 31.12 H new ATOM 0 HG2 GLU A 60 -8.574 -10.134 -2.388 1.00 71.52 H new ATOM 0 HG3 GLU A 60 -6.996 -10.462 -1.700 1.00 71.52 H new ATOM 987 N MET A 61 -6.259 -14.415 -2.060 1.00 23.51 N ATOM 988 CA MET A 61 -5.332 -14.967 -1.081 1.00 30.43 C ATOM 989 C MET A 61 -4.004 -15.321 -1.735 1.00 1.31 C ATOM 990 O MET A 61 -3.924 -15.483 -2.950 1.00 71.24 O ATOM 991 CB MET A 61 -5.948 -16.180 -0.363 1.00 11.24 C ATOM 992 CG MET A 61 -6.564 -17.235 -1.276 1.00 34.40 C ATOM 993 SD MET A 61 -5.344 -18.251 -2.139 1.00 12.22 S ATOM 994 CE MET A 61 -4.549 -19.068 -0.755 1.00 64.54 C ATOM 0 H MET A 61 -6.438 -15.021 -2.861 1.00 23.51 H new ATOM 0 HA MET A 61 -5.137 -14.204 -0.327 1.00 30.43 H new ATOM 0 HB2 MET A 61 -5.175 -16.654 0.242 1.00 11.24 H new ATOM 0 HB3 MET A 61 -6.716 -15.824 0.323 1.00 11.24 H new ATOM 0 HG2 MET A 61 -7.210 -17.883 -0.683 1.00 34.40 H new ATOM 0 HG3 MET A 61 -7.198 -16.740 -2.012 1.00 34.40 H new ATOM 0 HE1 MET A 61 -4.496 -20.140 -0.947 1.00 64.54 H new ATOM 0 HE2 MET A 61 -3.542 -18.671 -0.628 1.00 64.54 H new ATOM 0 HE3 MET A 61 -5.126 -18.890 0.153 1.00 64.54 H new ATOM 1004 N SER A 62 -2.957 -15.423 -0.932 1.00 74.44 N ATOM 1005 CA SER A 62 -1.623 -15.648 -1.461 1.00 24.14 C ATOM 1006 C SER A 62 -1.240 -17.119 -1.365 1.00 12.41 C ATOM 1007 O SER A 62 -1.356 -17.731 -0.304 1.00 53.55 O ATOM 1008 CB SER A 62 -0.608 -14.795 -0.704 1.00 44.30 C ATOM 1009 OG SER A 62 -1.009 -13.438 -0.675 1.00 3.45 O ATOM 0 H SER A 62 -3.005 -15.354 0.085 1.00 74.44 H new ATOM 0 HA SER A 62 -1.621 -15.361 -2.512 1.00 24.14 H new ATOM 0 HB2 SER A 62 -0.501 -15.168 0.314 1.00 44.30 H new ATOM 0 HB3 SER A 62 0.370 -14.879 -1.179 1.00 44.30 H new ATOM 0 HG SER A 62 -0.345 -12.911 -0.184 1.00 3.45 H new ATOM 1015 N ILE A 63 -0.760 -17.667 -2.474 1.00 64.44 N ATOM 1016 CA ILE A 63 -0.373 -19.074 -2.542 1.00 24.15 C ATOM 1017 C ILE A 63 0.884 -19.343 -1.707 1.00 65.33 C ATOM 1018 O ILE A 63 1.155 -20.481 -1.328 1.00 41.11 O ATOM 1019 CB ILE A 63 -0.130 -19.500 -4.013 1.00 73.33 C ATOM 1020 CG1 ILE A 63 -1.373 -19.206 -4.864 1.00 55.32 C ATOM 1021 CG2 ILE A 63 0.236 -20.977 -4.112 1.00 54.31 C ATOM 1022 CD1 ILE A 63 -2.609 -19.965 -4.422 1.00 74.13 C ATOM 0 H ILE A 63 -0.628 -17.155 -3.346 1.00 64.44 H new ATOM 0 HA ILE A 63 -1.192 -19.664 -2.131 1.00 24.15 H new ATOM 0 HB ILE A 63 0.710 -18.919 -4.394 1.00 73.33 H new ATOM 0 HG12 ILE A 63 -1.582 -18.137 -4.828 1.00 55.32 H new ATOM 0 HG13 ILE A 63 -1.158 -19.454 -5.903 1.00 55.32 H new ATOM 0 HG21 ILE A 63 0.399 -21.242 -5.157 1.00 54.31 H new ATOM 0 HG22 ILE A 63 1.146 -21.165 -3.543 1.00 54.31 H new ATOM 0 HG23 ILE A 63 -0.576 -21.581 -3.707 1.00 54.31 H new ATOM 0 HD11 ILE A 63 -3.446 -19.706 -5.070 1.00 74.13 H new ATOM 0 HD12 ILE A 63 -2.420 -21.037 -4.485 1.00 74.13 H new ATOM 0 HD13 ILE A 63 -2.851 -19.699 -3.393 1.00 74.13 H new ATOM 1034 N TYR A 64 1.629 -18.282 -1.402 1.00 41.32 N ATOM 1035 CA TYR A 64 2.894 -18.401 -0.679 1.00 12.32 C ATOM 1036 C TYR A 64 2.721 -19.029 0.708 1.00 22.40 C ATOM 1037 O TYR A 64 2.829 -20.247 0.867 1.00 14.21 O ATOM 1038 CB TYR A 64 3.570 -17.034 -0.541 1.00 1.33 C ATOM 1039 CG TYR A 64 4.053 -16.445 -1.850 1.00 61.42 C ATOM 1040 CD1 TYR A 64 4.990 -17.114 -2.630 1.00 71.25 C ATOM 1041 CD2 TYR A 64 3.580 -15.219 -2.301 1.00 42.14 C ATOM 1042 CE1 TYR A 64 5.440 -16.578 -3.820 1.00 22.10 C ATOM 1043 CE2 TYR A 64 4.029 -14.676 -3.490 1.00 12.53 C ATOM 1044 CZ TYR A 64 4.959 -15.361 -4.244 1.00 53.03 C ATOM 1045 OH TYR A 64 5.410 -14.827 -5.426 1.00 40.10 O ATOM 0 H TYR A 64 1.376 -17.324 -1.646 1.00 41.32 H new ATOM 0 HA TYR A 64 3.526 -19.065 -1.268 1.00 12.32 H new ATOM 0 HB2 TYR A 64 2.868 -16.339 -0.080 1.00 1.33 H new ATOM 0 HB3 TYR A 64 4.418 -17.127 0.137 1.00 1.33 H new ATOM 0 HD1 TYR A 64 5.372 -18.069 -2.299 1.00 71.25 H new ATOM 0 HD2 TYR A 64 2.850 -14.682 -1.713 1.00 42.14 H new ATOM 0 HE1 TYR A 64 6.166 -17.112 -4.415 1.00 22.10 H new ATOM 0 HE2 TYR A 64 3.654 -13.721 -3.827 1.00 12.53 H new ATOM 0 HH TYR A 64 4.972 -13.964 -5.583 1.00 40.10 H new ATOM 1055 N ASP A 65 2.461 -18.199 1.716 1.00 75.35 N ATOM 1056 CA ASP A 65 2.435 -18.683 3.097 1.00 13.42 C ATOM 1057 C ASP A 65 1.477 -17.889 3.985 1.00 33.14 C ATOM 1058 O ASP A 65 0.451 -18.404 4.417 1.00 30.34 O ATOM 1059 CB ASP A 65 3.848 -18.638 3.685 1.00 63.13 C ATOM 1060 CG ASP A 65 3.870 -18.828 5.187 1.00 42.05 C ATOM 1061 OD1 ASP A 65 3.697 -19.969 5.654 1.00 41.05 O ATOM 1062 OD2 ASP A 65 4.078 -17.835 5.903 1.00 42.31 O ATOM 0 H ASP A 65 2.268 -17.203 1.607 1.00 75.35 H new ATOM 0 HA ASP A 65 2.069 -19.709 3.072 1.00 13.42 H new ATOM 0 HB2 ASP A 65 4.455 -19.413 3.217 1.00 63.13 H new ATOM 0 HB3 ASP A 65 4.308 -17.681 3.439 1.00 63.13 H new ATOM 1067 N ARG A 66 1.831 -16.632 4.248 1.00 31.01 N ATOM 1068 CA ARG A 66 1.109 -15.789 5.206 1.00 15.34 C ATOM 1069 C ARG A 66 -0.395 -15.726 4.911 1.00 30.01 C ATOM 1070 O ARG A 66 -1.219 -15.922 5.801 1.00 25.24 O ATOM 1071 CB ARG A 66 1.717 -14.369 5.246 1.00 10.14 C ATOM 1072 CG ARG A 66 1.793 -13.666 3.891 1.00 74.11 C ATOM 1073 CD ARG A 66 2.991 -14.121 3.064 1.00 73.25 C ATOM 1074 NE ARG A 66 4.220 -13.420 3.431 1.00 74.44 N ATOM 1075 CZ ARG A 66 5.397 -14.014 3.647 1.00 21.14 C ATOM 1076 NH1 ARG A 66 5.496 -15.337 3.671 1.00 2.23 N ATOM 1077 NH2 ARG A 66 6.476 -13.277 3.864 1.00 34.23 N ATOM 0 H ARG A 66 2.624 -16.168 3.805 1.00 31.01 H new ATOM 0 HA ARG A 66 1.222 -16.250 6.187 1.00 15.34 H new ATOM 0 HB2 ARG A 66 1.126 -13.755 5.925 1.00 10.14 H new ATOM 0 HB3 ARG A 66 2.722 -14.431 5.664 1.00 10.14 H new ATOM 0 HG2 ARG A 66 0.876 -13.858 3.333 1.00 74.11 H new ATOM 0 HG3 ARG A 66 1.851 -12.589 4.047 1.00 74.11 H new ATOM 0 HD2 ARG A 66 3.134 -15.193 3.196 1.00 73.25 H new ATOM 0 HD3 ARG A 66 2.783 -13.955 2.007 1.00 73.25 H new ATOM 0 HE ARG A 66 4.176 -12.406 3.529 1.00 74.44 H new ATOM 0 HH11 ARG A 66 4.667 -15.913 3.523 1.00 2.23 H new ATOM 0 HH12 ARG A 66 6.401 -15.778 3.837 1.00 2.23 H new ATOM 0 HH21 ARG A 66 6.407 -12.259 3.866 1.00 34.23 H new ATOM 0 HH22 ARG A 66 7.376 -13.727 4.029 1.00 34.23 H new ATOM 1091 N ASN A 67 -0.748 -15.479 3.660 1.00 42.43 N ATOM 1092 CA ASN A 67 -2.149 -15.327 3.277 1.00 61.42 C ATOM 1093 C ASN A 67 -2.707 -16.605 2.660 1.00 3.13 C ATOM 1094 O ASN A 67 -3.633 -16.552 1.853 1.00 51.23 O ATOM 1095 CB ASN A 67 -2.313 -14.159 2.302 1.00 11.10 C ATOM 1096 CG ASN A 67 -2.329 -12.812 3.001 1.00 22.25 C ATOM 1097 OD1 ASN A 67 -1.736 -12.641 4.068 1.00 41.42 O ATOM 1098 ND2 ASN A 67 -3.001 -11.841 2.401 1.00 40.25 N ATOM 0 H ASN A 67 -0.087 -15.379 2.890 1.00 42.43 H new ATOM 0 HA ASN A 67 -2.715 -15.119 4.185 1.00 61.42 H new ATOM 0 HB2 ASN A 67 -1.499 -14.178 1.578 1.00 11.10 H new ATOM 0 HB3 ASN A 67 -3.240 -14.285 1.743 1.00 11.10 H new ATOM 0 HD21 ASN A 67 -3.040 -10.913 2.822 1.00 40.25 H new ATOM 0 HD22 ASN A 67 -3.479 -12.022 1.518 1.00 40.25 H new ATOM 1105 N ALA A 68 -2.142 -17.747 3.031 1.00 15.03 N ATOM 1106 CA ALA A 68 -2.601 -19.027 2.500 1.00 14.25 C ATOM 1107 C ALA A 68 -3.918 -19.451 3.150 1.00 22.32 C ATOM 1108 O ALA A 68 -4.838 -19.897 2.468 1.00 73.14 O ATOM 1109 CB ALA A 68 -1.544 -20.103 2.704 1.00 73.25 C ATOM 0 H ALA A 68 -1.369 -17.815 3.694 1.00 15.03 H new ATOM 0 HA ALA A 68 -2.772 -18.902 1.431 1.00 14.25 H new ATOM 0 HB1 ALA A 68 -1.906 -21.049 2.301 1.00 73.25 H new ATOM 0 HB2 ALA A 68 -0.628 -19.816 2.188 1.00 73.25 H new ATOM 0 HB3 ALA A 68 -1.340 -20.216 3.769 1.00 73.25 H new ATOM 1115 N LYS A 69 -4.013 -19.303 4.471 1.00 64.23 N ATOM 1116 CA LYS A 69 -5.218 -19.715 5.191 1.00 44.14 C ATOM 1117 C LYS A 69 -6.228 -18.575 5.277 1.00 13.52 C ATOM 1118 O LYS A 69 -7.398 -18.791 5.595 1.00 44.31 O ATOM 1119 CB LYS A 69 -4.872 -20.213 6.599 1.00 13.22 C ATOM 1120 CG LYS A 69 -4.187 -19.174 7.468 1.00 3.22 C ATOM 1121 CD LYS A 69 -4.110 -19.624 8.917 1.00 44.34 C ATOM 1122 CE LYS A 69 -3.346 -18.629 9.771 1.00 52.22 C ATOM 1123 NZ LYS A 69 -3.387 -18.986 11.214 1.00 62.31 N1+ ATOM 0 H LYS A 69 -3.280 -18.906 5.059 1.00 64.23 H new ATOM 0 HA LYS A 69 -5.668 -20.534 4.630 1.00 44.14 H new ATOM 0 HB2 LYS A 69 -5.787 -20.540 7.093 1.00 13.22 H new ATOM 0 HB3 LYS A 69 -4.225 -21.086 6.516 1.00 13.22 H new ATOM 0 HG2 LYS A 69 -3.182 -18.987 7.090 1.00 3.22 H new ATOM 0 HG3 LYS A 69 -4.731 -18.231 7.407 1.00 3.22 H new ATOM 0 HD2 LYS A 69 -5.117 -19.747 9.314 1.00 44.34 H new ATOM 0 HD3 LYS A 69 -3.625 -20.599 8.971 1.00 44.34 H new ATOM 0 HE2 LYS A 69 -2.309 -18.586 9.438 1.00 52.22 H new ATOM 0 HE3 LYS A 69 -3.767 -17.633 9.632 1.00 52.22 H new ATOM 0 HZ1 LYS A 69 -2.853 -18.281 11.761 1.00 62.31 H new ATOM 0 HZ2 LYS A 69 -4.375 -19.002 11.540 1.00 62.31 H new ATOM 0 HZ3 LYS A 69 -2.962 -19.925 11.351 1.00 62.31 H new ATOM 1137 N LYS A 70 -5.779 -17.364 4.986 1.00 14.42 N ATOM 1138 CA LYS A 70 -6.648 -16.202 5.054 1.00 41.11 C ATOM 1139 C LYS A 70 -6.325 -15.207 3.952 1.00 71.14 C ATOM 1140 O LYS A 70 -5.163 -14.898 3.693 1.00 34.13 O ATOM 1141 CB LYS A 70 -6.581 -15.546 6.441 1.00 52.53 C ATOM 1142 CG LYS A 70 -5.179 -15.396 7.024 1.00 13.51 C ATOM 1143 CD LYS A 70 -4.481 -14.130 6.546 1.00 55.24 C ATOM 1144 CE LYS A 70 -3.130 -13.963 7.222 1.00 24.32 C ATOM 1145 NZ LYS A 70 -2.419 -12.732 6.783 1.00 2.21 N1+ ATOM 0 H LYS A 70 -4.821 -17.162 4.701 1.00 14.42 H new ATOM 0 HA LYS A 70 -7.672 -16.540 4.897 1.00 41.11 H new ATOM 0 HB2 LYS A 70 -7.039 -14.559 6.380 1.00 52.53 H new ATOM 0 HB3 LYS A 70 -7.183 -16.135 7.133 1.00 52.53 H new ATOM 0 HG2 LYS A 70 -5.241 -15.384 8.112 1.00 13.51 H new ATOM 0 HG3 LYS A 70 -4.580 -16.264 6.748 1.00 13.51 H new ATOM 0 HD2 LYS A 70 -4.348 -14.170 5.465 1.00 55.24 H new ATOM 0 HD3 LYS A 70 -5.107 -13.263 6.758 1.00 55.24 H new ATOM 0 HE2 LYS A 70 -3.270 -13.932 8.303 1.00 24.32 H new ATOM 0 HE3 LYS A 70 -2.510 -14.833 7.006 1.00 24.32 H new ATOM 0 HZ1 LYS A 70 -1.528 -12.639 7.311 1.00 2.21 H new ATOM 0 HZ2 LYS A 70 -2.214 -12.794 5.765 1.00 2.21 H new ATOM 0 HZ3 LYS A 70 -3.018 -11.901 6.966 1.00 2.21 H new ATOM 1159 N GLY A 71 -7.364 -14.715 3.304 1.00 11.12 N ATOM 1160 CA GLY A 71 -7.193 -13.823 2.180 1.00 33.43 C ATOM 1161 C GLY A 71 -7.950 -12.531 2.365 1.00 72.31 C ATOM 1162 O GLY A 71 -8.553 -12.301 3.415 1.00 32.33 O ATOM 0 H GLY A 71 -8.335 -14.920 3.539 1.00 11.12 H new ATOM 0 HA2 GLY A 71 -6.133 -13.607 2.047 1.00 33.43 H new ATOM 0 HA3 GLY A 71 -7.534 -14.316 1.270 1.00 33.43 H new ATOM 1166 N ARG A 72 -7.922 -11.684 1.350 1.00 4.11 N ATOM 1167 CA ARG A 72 -8.637 -10.422 1.397 1.00 41.15 C ATOM 1168 C ARG A 72 -10.024 -10.597 0.797 1.00 22.31 C ATOM 1169 O ARG A 72 -10.167 -10.785 -0.409 1.00 62.22 O ATOM 1170 CB ARG A 72 -7.886 -9.342 0.618 1.00 70.42 C ATOM 1171 CG ARG A 72 -6.466 -9.089 1.092 1.00 65.53 C ATOM 1172 CD ARG A 72 -5.755 -8.144 0.140 1.00 62.25 C ATOM 1173 NE ARG A 72 -4.396 -7.820 0.563 1.00 4.21 N ATOM 1174 CZ ARG A 72 -3.384 -7.632 -0.286 1.00 61.43 C ATOM 1175 NH1 ARG A 72 -3.566 -7.812 -1.591 1.00 64.40 N ATOM 1176 NH2 ARG A 72 -2.190 -7.279 0.172 1.00 31.33 N ATOM 0 H ARG A 72 -7.411 -11.849 0.483 1.00 4.11 H new ATOM 0 HA ARG A 72 -8.717 -10.112 2.439 1.00 41.15 H new ATOM 0 HB2 ARG A 72 -7.858 -9.625 -0.434 1.00 70.42 H new ATOM 0 HB3 ARG A 72 -8.448 -8.410 0.682 1.00 70.42 H new ATOM 0 HG2 ARG A 72 -6.480 -8.663 2.095 1.00 65.53 H new ATOM 0 HG3 ARG A 72 -5.922 -10.032 1.154 1.00 65.53 H new ATOM 0 HD2 ARG A 72 -5.723 -8.594 -0.852 1.00 62.25 H new ATOM 0 HD3 ARG A 72 -6.332 -7.223 0.054 1.00 62.25 H new ATOM 0 HE ARG A 72 -4.210 -7.733 1.562 1.00 4.21 H new ATOM 0 HH11 ARG A 72 -4.480 -8.094 -1.944 1.00 64.40 H new ATOM 0 HH12 ARG A 72 -2.791 -7.668 -2.239 1.00 64.40 H new ATOM 0 HH21 ARG A 72 -2.045 -7.151 1.174 1.00 31.33 H new ATOM 0 HH22 ARG A 72 -1.417 -7.135 -0.477 1.00 31.33 H new ATOM 1190 N ILE A 73 -11.032 -10.567 1.650 1.00 21.11 N ATOM 1191 CA ILE A 73 -12.418 -10.661 1.214 1.00 33.11 C ATOM 1192 C ILE A 73 -13.027 -9.267 1.162 1.00 11.10 C ATOM 1193 O ILE A 73 -12.984 -8.537 2.153 1.00 22.25 O ATOM 1194 CB ILE A 73 -13.261 -11.556 2.161 1.00 41.52 C ATOM 1195 CG1 ILE A 73 -12.887 -13.037 2.014 1.00 24.50 C ATOM 1196 CG2 ILE A 73 -14.749 -11.367 1.913 1.00 31.44 C ATOM 1197 CD1 ILE A 73 -11.557 -13.407 2.632 1.00 14.32 C ATOM 0 H ILE A 73 -10.917 -10.477 2.659 1.00 21.11 H new ATOM 0 HA ILE A 73 -12.428 -11.117 0.224 1.00 33.11 H new ATOM 0 HB ILE A 73 -13.036 -11.246 3.181 1.00 41.52 H new ATOM 0 HG12 ILE A 73 -13.668 -13.644 2.471 1.00 24.50 H new ATOM 0 HG13 ILE A 73 -12.865 -13.291 0.954 1.00 24.50 H new ATOM 0 HG21 ILE A 73 -15.315 -12.006 2.591 1.00 31.44 H new ATOM 0 HG22 ILE A 73 -15.018 -10.325 2.088 1.00 31.44 H new ATOM 0 HG23 ILE A 73 -14.983 -11.634 0.882 1.00 31.44 H new ATOM 0 HD11 ILE A 73 -11.370 -14.470 2.483 1.00 14.32 H new ATOM 0 HD12 ILE A 73 -10.763 -12.829 2.159 1.00 14.32 H new ATOM 0 HD13 ILE A 73 -11.578 -13.188 3.700 1.00 14.32 H new ATOM 1209 N ILE A 74 -13.559 -8.877 0.010 1.00 61.25 N ATOM 1210 CA ILE A 74 -14.162 -7.558 -0.104 1.00 62.23 C ATOM 1211 C ILE A 74 -15.657 -7.623 -0.449 1.00 43.13 C ATOM 1212 O ILE A 74 -16.489 -7.347 0.413 1.00 62.14 O ATOM 1213 CB ILE A 74 -13.386 -6.686 -1.130 1.00 21.00 C ATOM 1214 CG1 ILE A 74 -14.102 -5.355 -1.382 1.00 30.55 C ATOM 1215 CG2 ILE A 74 -13.152 -7.439 -2.439 1.00 32.35 C ATOM 1216 CD1 ILE A 74 -13.310 -4.398 -2.248 1.00 42.44 C ATOM 0 H ILE A 74 -13.585 -9.441 -0.839 1.00 61.25 H new ATOM 0 HA ILE A 74 -14.089 -7.087 0.876 1.00 62.23 H new ATOM 0 HB ILE A 74 -12.411 -6.464 -0.697 1.00 21.00 H new ATOM 0 HG12 ILE A 74 -15.063 -5.553 -1.857 1.00 30.55 H new ATOM 0 HG13 ILE A 74 -14.312 -4.878 -0.425 1.00 30.55 H new ATOM 0 HG21 ILE A 74 -12.607 -6.800 -3.134 1.00 32.35 H new ATOM 0 HG22 ILE A 74 -12.571 -8.340 -2.242 1.00 32.35 H new ATOM 0 HG23 ILE A 74 -14.111 -7.715 -2.876 1.00 32.35 H new ATOM 0 HD11 ILE A 74 -13.877 -3.477 -2.385 1.00 42.44 H new ATOM 0 HD12 ILE A 74 -12.360 -4.171 -1.764 1.00 42.44 H new ATOM 0 HD13 ILE A 74 -13.122 -4.856 -3.219 1.00 42.44 H new ATOM 1228 N ARG A 75 -15.998 -8.027 -1.675 1.00 44.15 N ATOM 1229 CA ARG A 75 -17.398 -8.131 -2.099 1.00 30.10 C ATOM 1230 C ARG A 75 -17.466 -8.455 -3.590 1.00 21.44 C ATOM 1231 O ARG A 75 -16.593 -8.041 -4.356 1.00 34.44 O ATOM 1232 CB ARG A 75 -18.147 -6.814 -1.810 1.00 13.21 C ATOM 1233 CG ARG A 75 -19.669 -6.913 -1.867 1.00 23.21 C ATOM 1234 CD ARG A 75 -20.201 -6.716 -3.277 1.00 54.41 C ATOM 1235 NE ARG A 75 -21.641 -6.944 -3.360 1.00 62.30 N ATOM 1236 CZ ARG A 75 -22.393 -6.593 -4.399 1.00 71.15 C ATOM 1237 NH1 ARG A 75 -21.842 -6.021 -5.464 1.00 11.33 N ATOM 1238 NH2 ARG A 75 -23.695 -6.833 -4.378 1.00 12.31 N ATOM 0 H ARG A 75 -15.323 -8.288 -2.394 1.00 44.15 H new ATOM 0 HA ARG A 75 -17.876 -8.933 -1.537 1.00 30.10 H new ATOM 0 HB2 ARG A 75 -17.858 -6.458 -0.821 1.00 13.21 H new ATOM 0 HB3 ARG A 75 -17.819 -6.062 -2.528 1.00 13.21 H new ATOM 0 HG2 ARG A 75 -19.983 -7.888 -1.494 1.00 23.21 H new ATOM 0 HG3 ARG A 75 -20.106 -6.164 -1.207 1.00 23.21 H new ATOM 0 HD2 ARG A 75 -19.975 -5.703 -3.610 1.00 54.41 H new ATOM 0 HD3 ARG A 75 -19.687 -7.397 -3.956 1.00 54.41 H new ATOM 0 HE ARG A 75 -22.099 -7.401 -2.571 1.00 62.30 H new ATOM 0 HH11 ARG A 75 -20.837 -5.849 -5.488 1.00 11.33 H new ATOM 0 HH12 ARG A 75 -22.424 -5.754 -6.258 1.00 11.33 H new ATOM 0 HH21 ARG A 75 -24.117 -7.285 -3.567 1.00 12.31 H new ATOM 0 HH22 ARG A 75 -24.276 -6.565 -5.173 1.00 12.31 H new ATOM 1252 N ARG A 76 -18.489 -9.191 -4.000 1.00 51.14 N ATOM 1253 CA ARG A 76 -18.757 -9.398 -5.416 1.00 72.34 C ATOM 1254 C ARG A 76 -20.249 -9.581 -5.645 1.00 12.13 C ATOM 1255 O ARG A 76 -20.955 -10.091 -4.785 1.00 1.44 O ATOM 1256 CB ARG A 76 -18.015 -10.614 -5.968 1.00 23.11 C ATOM 1257 CG ARG A 76 -17.754 -10.516 -7.466 1.00 55.12 C ATOM 1258 CD ARG A 76 -17.893 -11.859 -8.165 1.00 40.23 C ATOM 1259 NE ARG A 76 -19.277 -12.152 -8.532 1.00 44.12 N ATOM 1260 CZ ARG A 76 -19.625 -12.890 -9.586 1.00 13.34 C ATOM 1261 NH1 ARG A 76 -18.696 -13.362 -10.403 1.00 15.30 N ATOM 1262 NH2 ARG A 76 -20.904 -13.142 -9.833 1.00 4.33 N ATOM 0 H ARG A 76 -19.147 -9.654 -3.373 1.00 51.14 H new ATOM 0 HA ARG A 76 -18.401 -8.513 -5.943 1.00 72.34 H new ATOM 0 HB2 ARG A 76 -17.065 -10.723 -5.445 1.00 23.11 H new ATOM 0 HB3 ARG A 76 -18.597 -11.513 -5.763 1.00 23.11 H new ATOM 0 HG2 ARG A 76 -18.452 -9.805 -7.908 1.00 55.12 H new ATOM 0 HG3 ARG A 76 -16.751 -10.124 -7.633 1.00 55.12 H new ATOM 0 HD2 ARG A 76 -17.273 -11.866 -9.061 1.00 40.23 H new ATOM 0 HD3 ARG A 76 -17.518 -12.647 -7.512 1.00 40.23 H new ATOM 0 HE ARG A 76 -20.020 -11.769 -7.947 1.00 44.12 H new ATOM 0 HH11 ARG A 76 -17.712 -13.161 -10.226 1.00 15.30 H new ATOM 0 HH12 ARG A 76 -18.965 -13.927 -11.209 1.00 15.30 H new ATOM 0 HH21 ARG A 76 -21.626 -12.770 -9.215 1.00 4.33 H new ATOM 0 HH22 ARG A 76 -21.166 -13.707 -10.641 1.00 4.33 H new ATOM 1276 N LEU A 77 -20.716 -9.134 -6.798 1.00 32.32 N ATOM 1277 CA LEU A 77 -22.095 -9.356 -7.220 1.00 41.22 C ATOM 1278 C LEU A 77 -22.467 -10.842 -7.134 1.00 72.41 C ATOM 1279 O LEU A 77 -21.609 -11.712 -7.298 1.00 40.22 O ATOM 1280 CB LEU A 77 -22.260 -8.850 -8.658 1.00 1.04 C ATOM 1281 CG LEU A 77 -23.513 -9.330 -9.390 1.00 14.25 C ATOM 1282 CD1 LEU A 77 -24.771 -8.737 -8.768 1.00 15.33 C ATOM 1283 CD2 LEU A 77 -23.431 -8.986 -10.869 1.00 21.03 C ATOM 0 H LEU A 77 -20.155 -8.608 -7.468 1.00 32.32 H new ATOM 0 HA LEU A 77 -22.763 -8.810 -6.554 1.00 41.22 H new ATOM 0 HB2 LEU A 77 -22.266 -7.760 -8.642 1.00 1.04 H new ATOM 0 HB3 LEU A 77 -21.386 -9.155 -9.234 1.00 1.04 H new ATOM 0 HG LEU A 77 -23.569 -10.414 -9.290 1.00 14.25 H new ATOM 0 HD11 LEU A 77 -25.647 -9.095 -9.308 1.00 15.33 H new ATOM 0 HD12 LEU A 77 -24.839 -9.042 -7.724 1.00 15.33 H new ATOM 0 HD13 LEU A 77 -24.728 -7.649 -8.827 1.00 15.33 H new ATOM 0 HD21 LEU A 77 -24.331 -9.335 -11.374 1.00 21.03 H new ATOM 0 HD22 LEU A 77 -23.344 -7.906 -10.987 1.00 21.03 H new ATOM 0 HD23 LEU A 77 -22.558 -9.470 -11.307 1.00 21.03 H new ATOM 1295 N LYS A 78 -23.743 -11.128 -6.871 1.00 33.44 N ATOM 1296 CA LYS A 78 -24.238 -12.504 -6.832 1.00 4.21 C ATOM 1297 C LYS A 78 -24.111 -13.171 -8.202 1.00 55.40 C ATOM 1298 O LYS A 78 -23.643 -12.564 -9.167 1.00 30.42 O ATOM 1299 CB LYS A 78 -25.712 -12.570 -6.399 1.00 53.23 C ATOM 1300 CG LYS A 78 -25.995 -12.164 -4.959 1.00 20.11 C ATOM 1301 CD LYS A 78 -26.090 -10.658 -4.801 1.00 65.15 C ATOM 1302 CE LYS A 78 -26.816 -10.283 -3.519 1.00 64.22 C ATOM 1303 NZ LYS A 78 -26.846 -8.813 -3.309 1.00 14.22 N1+ ATOM 0 H LYS A 78 -24.454 -10.422 -6.681 1.00 33.44 H new ATOM 0 HA LYS A 78 -23.625 -13.031 -6.100 1.00 4.21 H new ATOM 0 HB2 LYS A 78 -26.295 -11.928 -7.060 1.00 53.23 H new ATOM 0 HB3 LYS A 78 -26.070 -13.589 -6.547 1.00 53.23 H new ATOM 0 HG2 LYS A 78 -26.927 -12.623 -4.630 1.00 20.11 H new ATOM 0 HG3 LYS A 78 -25.206 -12.547 -4.312 1.00 20.11 H new ATOM 0 HD2 LYS A 78 -25.089 -10.227 -4.794 1.00 65.15 H new ATOM 0 HD3 LYS A 78 -26.615 -10.233 -5.657 1.00 65.15 H new ATOM 0 HE2 LYS A 78 -27.836 -10.666 -3.554 1.00 64.22 H new ATOM 0 HE3 LYS A 78 -26.326 -10.761 -2.671 1.00 64.22 H new ATOM 0 HZ1 LYS A 78 -27.289 -8.602 -2.392 1.00 14.22 H new ATOM 0 HZ2 LYS A 78 -25.875 -8.441 -3.318 1.00 14.22 H new ATOM 0 HZ3 LYS A 78 -27.395 -8.365 -4.070 1.00 14.22 H new ATOM 1317 N GLY A 79 -24.522 -14.429 -8.276 1.00 64.15 N ATOM 1318 CA GLY A 79 -24.554 -15.121 -9.548 1.00 13.45 C ATOM 1319 C GLY A 79 -25.704 -14.642 -10.414 1.00 22.22 C ATOM 1320 O GLY A 79 -26.439 -13.730 -10.028 1.00 2.24 O ATOM 0 H GLY A 79 -24.834 -14.983 -7.478 1.00 64.15 H new ATOM 0 HA2 GLY A 79 -23.612 -14.963 -10.073 1.00 13.45 H new ATOM 0 HA3 GLY A 79 -24.648 -16.193 -9.377 1.00 13.45 H new ATOM 1324 N THR A 80 -25.870 -15.248 -11.574 1.00 23.30 N ATOM 1325 CA THR A 80 -26.920 -14.845 -12.488 1.00 4.43 C ATOM 1326 C THR A 80 -27.743 -16.055 -12.918 1.00 12.34 C ATOM 1327 O THR A 80 -27.242 -17.185 -12.907 1.00 34.22 O ATOM 1328 CB THR A 80 -26.336 -14.124 -13.727 1.00 42.02 C ATOM 1329 OG1 THR A 80 -27.391 -13.649 -14.572 1.00 74.33 O ATOM 1330 CG2 THR A 80 -25.421 -15.045 -14.521 1.00 23.13 C ATOM 0 H THR A 80 -25.292 -16.020 -11.905 1.00 23.30 H new ATOM 0 HA THR A 80 -27.571 -14.144 -11.965 1.00 4.43 H new ATOM 0 HB THR A 80 -25.749 -13.277 -13.371 1.00 42.02 H new ATOM 0 HG1 THR A 80 -27.007 -13.194 -15.350 1.00 74.33 H new ATOM 0 HG21 THR A 80 -25.027 -14.510 -15.385 1.00 23.13 H new ATOM 0 HG22 THR A 80 -24.596 -15.371 -13.888 1.00 23.13 H new ATOM 0 HG23 THR A 80 -25.985 -15.914 -14.859 1.00 23.13 H new ATOM 1338 N SER A 81 -29.007 -15.809 -13.262 1.00 4.52 N ATOM 1339 CA SER A 81 -29.925 -16.855 -13.708 1.00 31.34 C ATOM 1340 C SER A 81 -30.236 -17.849 -12.582 1.00 4.30 C ATOM 1341 O SER A 81 -29.739 -17.720 -11.460 1.00 2.34 O ATOM 1342 CB SER A 81 -29.349 -17.587 -14.925 1.00 64.52 C ATOM 1343 OG SER A 81 -29.027 -16.678 -15.968 1.00 32.21 O ATOM 0 H SER A 81 -29.423 -14.878 -13.239 1.00 4.52 H new ATOM 0 HA SER A 81 -30.861 -16.376 -13.995 1.00 31.34 H new ATOM 0 HB2 SER A 81 -28.456 -18.138 -14.631 1.00 64.52 H new ATOM 0 HB3 SER A 81 -30.071 -18.319 -15.287 1.00 64.52 H new ATOM 0 HG SER A 81 -28.660 -17.172 -16.731 1.00 32.21 H new ATOM 1349 N ASP A 82 -31.067 -18.838 -12.887 1.00 13.04 N ATOM 1350 CA ASP A 82 -31.469 -19.838 -11.902 1.00 64.35 C ATOM 1351 C ASP A 82 -30.544 -21.045 -11.960 1.00 63.03 C ATOM 1352 O ASP A 82 -30.683 -21.988 -11.178 1.00 21.34 O ATOM 1353 CB ASP A 82 -32.920 -20.271 -12.138 1.00 74.41 C ATOM 1354 CG ASP A 82 -33.919 -19.187 -11.783 1.00 1.34 C ATOM 1355 OD1 ASP A 82 -33.906 -18.122 -12.432 1.00 31.24 O ATOM 1356 OD2 ASP A 82 -34.732 -19.398 -10.859 1.00 32.53 O ATOM 0 H ASP A 82 -31.478 -18.970 -13.811 1.00 13.04 H new ATOM 0 HA ASP A 82 -31.396 -19.391 -10.911 1.00 64.35 H new ATOM 0 HB2 ASP A 82 -33.047 -20.548 -13.185 1.00 74.41 H new ATOM 0 HB3 ASP A 82 -33.130 -21.161 -11.545 1.00 74.41 H new ATOM 1361 N ARG A 83 -29.598 -20.999 -12.893 1.00 53.42 N ATOM 1362 CA ARG A 83 -28.615 -22.064 -13.080 1.00 71.10 C ATOM 1363 C ARG A 83 -29.275 -23.368 -13.524 1.00 32.13 C ATOM 1364 O ARG A 83 -29.333 -23.664 -14.718 1.00 43.53 O ATOM 1365 CB ARG A 83 -27.790 -22.290 -11.805 1.00 55.42 C ATOM 1366 CG ARG A 83 -26.852 -21.141 -11.464 1.00 30.01 C ATOM 1367 CD ARG A 83 -26.111 -21.400 -10.163 1.00 4.32 C ATOM 1368 NE ARG A 83 -25.126 -20.360 -9.873 1.00 43.34 N ATOM 1369 CZ ARG A 83 -24.803 -19.958 -8.646 1.00 21.33 C ATOM 1370 NH1 ARG A 83 -25.403 -20.483 -7.584 1.00 42.21 N ATOM 1371 NH2 ARG A 83 -23.872 -19.028 -8.478 1.00 45.45 N ATOM 0 H ARG A 83 -29.490 -20.220 -13.543 1.00 53.42 H new ATOM 0 HA ARG A 83 -27.941 -21.741 -13.873 1.00 71.10 H new ATOM 0 HB2 ARG A 83 -28.470 -22.451 -10.968 1.00 55.42 H new ATOM 0 HB3 ARG A 83 -27.204 -23.202 -11.920 1.00 55.42 H new ATOM 0 HG2 ARG A 83 -26.134 -21.003 -12.272 1.00 30.01 H new ATOM 0 HG3 ARG A 83 -27.422 -20.216 -11.382 1.00 30.01 H new ATOM 0 HD2 ARG A 83 -26.828 -21.458 -9.344 1.00 4.32 H new ATOM 0 HD3 ARG A 83 -25.611 -22.367 -10.218 1.00 4.32 H new ATOM 0 HE ARG A 83 -24.656 -19.914 -10.661 1.00 43.34 H new ATOM 0 HH11 ARG A 83 -26.118 -21.201 -7.705 1.00 42.21 H new ATOM 0 HH12 ARG A 83 -25.149 -20.169 -6.647 1.00 42.21 H new ATOM 0 HH21 ARG A 83 -23.405 -18.622 -9.289 1.00 45.45 H new ATOM 0 HH22 ARG A 83 -23.624 -18.719 -7.538 1.00 45.45 H new ATOM 1385 N THR A 84 -29.797 -24.130 -12.572 1.00 1.14 N ATOM 1386 CA THR A 84 -30.325 -25.454 -12.868 1.00 44.35 C ATOM 1387 C THR A 84 -31.661 -25.710 -12.156 1.00 42.20 C ATOM 1388 O THR A 84 -32.337 -26.707 -12.424 1.00 71.50 O ATOM 1389 CB THR A 84 -29.299 -26.535 -12.458 1.00 71.53 C ATOM 1390 OG1 THR A 84 -27.993 -26.158 -12.919 1.00 41.12 O ATOM 1391 CG2 THR A 84 -29.658 -27.893 -13.044 1.00 60.24 C ATOM 0 H THR A 84 -29.866 -23.855 -11.592 1.00 1.14 H new ATOM 0 HA THR A 84 -30.505 -25.504 -13.942 1.00 44.35 H new ATOM 0 HB THR A 84 -29.310 -26.613 -11.371 1.00 71.53 H new ATOM 0 HG1 THR A 84 -27.343 -26.843 -12.657 1.00 41.12 H new ATOM 0 HG21 THR A 84 -28.916 -28.630 -12.736 1.00 60.24 H new ATOM 0 HG22 THR A 84 -30.641 -28.196 -12.684 1.00 60.24 H new ATOM 0 HG23 THR A 84 -29.674 -27.827 -14.132 1.00 60.24 H new ATOM 1399 N ILE A 85 -32.067 -24.806 -11.266 1.00 50.10 N ATOM 1400 CA ILE A 85 -33.289 -25.020 -10.496 1.00 50.41 C ATOM 1401 C ILE A 85 -34.539 -24.730 -11.333 1.00 1.54 C ATOM 1402 O ILE A 85 -35.117 -23.647 -11.276 1.00 44.32 O ATOM 1403 CB ILE A 85 -33.321 -24.204 -9.179 1.00 4.13 C ATOM 1404 CG1 ILE A 85 -33.073 -22.712 -9.435 1.00 4.14 C ATOM 1405 CG2 ILE A 85 -32.296 -24.757 -8.198 1.00 5.14 C ATOM 1406 CD1 ILE A 85 -33.223 -21.848 -8.199 1.00 51.41 C ATOM 0 H ILE A 85 -31.578 -23.934 -11.063 1.00 50.10 H new ATOM 0 HA ILE A 85 -33.289 -26.075 -10.222 1.00 50.41 H new ATOM 0 HB ILE A 85 -34.316 -24.300 -8.745 1.00 4.13 H new ATOM 0 HG12 ILE A 85 -32.068 -22.584 -9.837 1.00 4.14 H new ATOM 0 HG13 ILE A 85 -33.769 -22.363 -10.198 1.00 4.14 H new ATOM 0 HG21 ILE A 85 -32.326 -24.177 -7.275 1.00 5.14 H new ATOM 0 HG22 ILE A 85 -32.527 -25.799 -7.979 1.00 5.14 H new ATOM 0 HG23 ILE A 85 -31.300 -24.691 -8.636 1.00 5.14 H new ATOM 0 HD11 ILE A 85 -33.033 -20.806 -8.458 1.00 51.41 H new ATOM 0 HD12 ILE A 85 -34.236 -21.946 -7.808 1.00 51.41 H new ATOM 0 HD13 ILE A 85 -32.509 -22.170 -7.441 1.00 51.41 H new ATOM 1418 N SER A 86 -34.940 -25.714 -12.126 1.00 1.32 N ATOM 1419 CA SER A 86 -36.126 -25.594 -12.961 1.00 52.13 C ATOM 1420 C SER A 86 -37.343 -26.186 -12.255 1.00 13.05 C ATOM 1421 O SER A 86 -38.381 -26.436 -12.872 1.00 1.24 O ATOM 1422 CB SER A 86 -35.890 -26.298 -14.296 1.00 70.21 C ATOM 1423 OG SER A 86 -34.735 -25.785 -14.942 1.00 31.42 O ATOM 0 H SER A 86 -34.458 -26.609 -12.208 1.00 1.32 H new ATOM 0 HA SER A 86 -36.321 -24.538 -13.145 1.00 52.13 H new ATOM 0 HB2 SER A 86 -35.774 -27.369 -14.131 1.00 70.21 H new ATOM 0 HB3 SER A 86 -36.760 -26.167 -14.940 1.00 70.21 H new ATOM 0 HG SER A 86 -34.602 -26.251 -15.794 1.00 31.42 H new ATOM 1429 N LYS A 87 -37.206 -26.408 -10.956 1.00 42.20 N ATOM 1430 CA LYS A 87 -38.282 -26.947 -10.149 1.00 62.14 C ATOM 1431 C LYS A 87 -38.404 -26.137 -8.867 1.00 61.45 C ATOM 1432 O LYS A 87 -37.627 -26.393 -7.923 1.00 24.40 O ATOM 1433 CB LYS A 87 -38.027 -28.424 -9.830 1.00 2.12 C ATOM 1434 CG LYS A 87 -39.146 -29.080 -9.036 1.00 71.14 C ATOM 1435 CD LYS A 87 -38.827 -30.530 -8.704 1.00 60.34 C ATOM 1436 CE LYS A 87 -37.565 -30.649 -7.868 1.00 41.32 C ATOM 1437 NZ LYS A 87 -37.287 -32.055 -7.473 1.00 22.34 N1+ ATOM 1438 OXT LYS A 87 -39.259 -25.235 -8.816 1.00 0.00 O ATOM 0 H LYS A 87 -36.348 -26.219 -10.437 1.00 42.20 H new ATOM 0 HA LYS A 87 -39.217 -26.880 -10.706 1.00 62.14 H new ATOM 0 HB2 LYS A 87 -37.888 -28.969 -10.763 1.00 2.12 H new ATOM 0 HB3 LYS A 87 -37.097 -28.510 -9.269 1.00 2.12 H new ATOM 0 HG2 LYS A 87 -39.312 -28.524 -8.113 1.00 71.14 H new ATOM 0 HG3 LYS A 87 -40.073 -29.033 -9.607 1.00 71.14 H new ATOM 0 HD2 LYS A 87 -39.664 -30.973 -8.164 1.00 60.34 H new ATOM 0 HD3 LYS A 87 -38.707 -31.097 -9.627 1.00 60.34 H new ATOM 0 HE2 LYS A 87 -36.719 -30.257 -8.432 1.00 41.32 H new ATOM 0 HE3 LYS A 87 -37.664 -30.034 -6.973 1.00 41.32 H new ATOM 0 HZ1 LYS A 87 -36.417 -32.090 -6.904 1.00 22.34 H new ATOM 0 HZ2 LYS A 87 -38.083 -32.422 -6.913 1.00 22.34 H new ATOM 0 HZ3 LYS A 87 -37.167 -32.638 -8.326 1.00 22.34 H new TER 1452 LYS A 87