USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 808 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -141:sc= 0 (180deg=-0.0254) USER MOD Single : A 7 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.013) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 15 GLN : amide:sc= -1.91 K(o=-1.9,f=-4.8!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 20 THR OG1 : rot -100:sc= -0.786 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 144:sc= -0.13 (180deg=-0.583) USER MOD Single : A 34 SER OG : rot 73:sc= 0.691 USER MOD Single : A 36 SER OG : rot -18:sc= 0.23 USER MOD Single : A 38 ASN : amide:sc= 0.235 K(o=0.24,f=-4.9!) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 151:sc= -0.137 (180deg=-0.768) USER MOD Single : A 49 SER OG : rot 76:sc= -0.919 USER MOD Single : A 50 HIS : no HD1:sc= -0.0501 X(o=-0.05,f=0) USER MOD Single : A 51 ASN : amide:sc= -1.1 X(o=-1.1,f=-0.8) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.83 F(o=-2.2,f=-0.83) USER MOD Single : A 65 GLN : amide:sc= -3.72! C(o=-3.7!,f=-8.7!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 176:sc= -0.72 (180deg=-0.884) USER MOD Single : A 73 GLN : amide:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.817 F(o=-1.9!,f=-0.82) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.1 K(o=-0.1,f=-1.7) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0068 USER MOD Single : A 91 ASN : amide:sc= -0.122 K(o=-0.12,f=-0.86!) USER MOD Single : A 92 ASN : amide:sc= -2.58 K(o=-2.6,f=-3.5!) USER MOD Single : A 95 HIS : no HE2:sc= -2.53 K(o=-2.5,f=-6.9!) USER MOD Single : A 97 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0484) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.460 -0.108 -16.221 1.00 73.32 N ATOM 2 CA GLY A 1 4.765 0.094 -14.816 1.00 74.42 C ATOM 3 C GLY A 1 5.937 1.031 -14.606 1.00 41.14 C ATOM 4 O GLY A 1 6.868 0.716 -13.864 1.00 32.12 O ATOM 0 H1 GLY A 1 3.652 -0.756 -16.311 1.00 73.32 H new ATOM 0 H2 GLY A 1 4.223 0.805 -16.659 1.00 73.32 H new ATOM 0 H3 GLY A 1 5.287 -0.518 -16.700 1.00 73.32 H new ATOM 0 HA2 GLY A 1 3.887 0.497 -14.311 1.00 74.42 H new ATOM 0 HA3 GLY A 1 4.986 -0.868 -14.353 1.00 74.42 H new ATOM 8 N ALA A 2 5.895 2.186 -15.261 1.00 22.42 N ATOM 9 CA ALA A 2 6.961 3.172 -15.142 1.00 14.31 C ATOM 10 C ALA A 2 6.743 4.074 -13.932 1.00 21.20 C ATOM 11 O ALA A 2 6.433 5.256 -14.076 1.00 54.32 O ATOM 12 CB ALA A 2 7.056 4.004 -16.412 1.00 30.43 C ATOM 0 H ALA A 2 5.133 2.462 -15.880 1.00 22.42 H new ATOM 0 HA ALA A 2 7.900 2.638 -15.000 1.00 14.31 H new ATOM 0 HB1 ALA A 2 7.857 4.736 -16.308 1.00 30.43 H new ATOM 0 HB2 ALA A 2 7.268 3.352 -17.259 1.00 30.43 H new ATOM 0 HB3 ALA A 2 6.111 4.521 -16.580 1.00 30.43 H new ATOM 18 N MET A 3 6.905 3.508 -12.740 1.00 21.15 N ATOM 19 CA MET A 3 6.725 4.262 -11.505 1.00 32.52 C ATOM 20 C MET A 3 8.067 4.524 -10.828 1.00 1.14 C ATOM 21 O MET A 3 8.781 3.592 -10.460 1.00 34.44 O ATOM 22 CB MET A 3 5.799 3.507 -10.551 1.00 70.51 C ATOM 23 CG MET A 3 4.324 3.663 -10.886 1.00 63.43 C ATOM 24 SD MET A 3 3.781 2.531 -12.179 1.00 73.22 S ATOM 25 CE MET A 3 3.602 1.012 -11.247 1.00 34.44 C ATOM 0 H MET A 3 7.161 2.530 -12.604 1.00 21.15 H new ATOM 0 HA MET A 3 6.271 5.220 -11.757 1.00 32.52 H new ATOM 0 HB2 MET A 3 6.057 2.448 -10.569 1.00 70.51 H new ATOM 0 HB3 MET A 3 5.972 3.860 -9.534 1.00 70.51 H new ATOM 0 HG2 MET A 3 3.731 3.492 -9.987 1.00 63.43 H new ATOM 0 HG3 MET A 3 4.134 4.688 -11.203 1.00 63.43 H new ATOM 0 HE1 MET A 3 3.952 0.173 -11.848 1.00 34.44 H new ATOM 0 HE2 MET A 3 4.192 1.074 -10.333 1.00 34.44 H new ATOM 0 HE3 MET A 3 2.553 0.863 -10.992 1.00 34.44 H new ATOM 35 N GLY A 4 8.404 5.801 -10.667 1.00 71.02 N ATOM 36 CA GLY A 4 9.660 6.161 -10.035 1.00 21.21 C ATOM 37 C GLY A 4 9.480 7.181 -8.928 1.00 32.32 C ATOM 38 O GLY A 4 8.388 7.321 -8.376 1.00 73.13 O ATOM 0 H GLY A 4 7.830 6.591 -10.963 1.00 71.02 H new ATOM 0 HA2 GLY A 4 10.128 5.265 -9.627 1.00 21.21 H new ATOM 0 HA3 GLY A 4 10.340 6.561 -10.787 1.00 21.21 H new ATOM 42 N ILE A 5 10.553 7.895 -8.602 1.00 25.33 N ATOM 43 CA ILE A 5 10.507 8.906 -7.554 1.00 35.52 C ATOM 44 C ILE A 5 11.197 10.190 -7.999 1.00 41.41 C ATOM 45 O ILE A 5 11.820 10.238 -9.061 1.00 32.33 O ATOM 46 CB ILE A 5 11.169 8.403 -6.257 1.00 44.05 C ATOM 47 CG1 ILE A 5 12.612 7.972 -6.530 1.00 32.31 C ATOM 48 CG2 ILE A 5 10.370 7.251 -5.667 1.00 63.14 C ATOM 49 CD1 ILE A 5 13.352 7.521 -5.291 1.00 72.53 C ATOM 0 H ILE A 5 11.464 7.791 -9.049 1.00 25.33 H new ATOM 0 HA ILE A 5 9.454 9.111 -7.359 1.00 35.52 H new ATOM 0 HB ILE A 5 11.183 9.218 -5.534 1.00 44.05 H new ATOM 0 HG12 ILE A 5 12.609 7.160 -7.257 1.00 32.31 H new ATOM 0 HG13 ILE A 5 13.152 8.804 -6.983 1.00 32.31 H new ATOM 0 HG21 ILE A 5 10.850 6.907 -4.751 1.00 63.14 H new ATOM 0 HG22 ILE A 5 9.358 7.588 -5.442 1.00 63.14 H new ATOM 0 HG23 ILE A 5 10.328 6.432 -6.385 1.00 63.14 H new ATOM 0 HD11 ILE A 5 14.368 7.230 -5.559 1.00 72.53 H new ATOM 0 HD12 ILE A 5 13.387 8.338 -4.570 1.00 72.53 H new ATOM 0 HD13 ILE A 5 12.836 6.669 -4.849 1.00 72.53 H new ATOM 61 N ARG A 6 11.085 11.230 -7.180 1.00 74.21 N ATOM 62 CA ARG A 6 11.699 12.517 -7.488 1.00 35.21 C ATOM 63 C ARG A 6 13.028 12.674 -6.755 1.00 33.14 C ATOM 64 O ARG A 6 14.081 12.803 -7.379 1.00 23.44 O ATOM 65 CB ARG A 6 10.756 13.660 -7.110 1.00 14.54 C ATOM 66 CG ARG A 6 9.603 13.845 -8.081 1.00 13.20 C ATOM 67 CD ARG A 6 10.044 14.582 -9.336 1.00 32.21 C ATOM 68 NE ARG A 6 10.572 13.670 -10.348 1.00 15.01 N ATOM 69 CZ ARG A 6 11.238 14.073 -11.425 1.00 41.31 C ATOM 70 NH1 ARG A 6 11.458 15.365 -11.628 1.00 20.30 N1+ ATOM 71 NH2 ARG A 6 11.687 13.183 -12.300 1.00 20.21 N ATOM 0 H ARG A 6 10.575 11.207 -6.297 1.00 74.21 H new ATOM 0 HA ARG A 6 11.889 12.553 -8.561 1.00 35.21 H new ATOM 0 HB2 ARG A 6 10.355 13.474 -6.114 1.00 14.54 H new ATOM 0 HB3 ARG A 6 11.326 14.587 -7.056 1.00 14.54 H new ATOM 0 HG2 ARG A 6 9.196 12.871 -8.354 1.00 13.20 H new ATOM 0 HG3 ARG A 6 8.802 14.401 -7.594 1.00 13.20 H new ATOM 0 HD2 ARG A 6 9.199 15.132 -9.749 1.00 32.21 H new ATOM 0 HD3 ARG A 6 10.806 15.316 -9.076 1.00 32.21 H new ATOM 0 HE ARG A 6 10.421 12.669 -10.221 1.00 15.01 H new ATOM 0 HH11 ARG A 6 11.116 16.052 -10.957 1.00 20.30 H new ATOM 0 HH12 ARG A 6 11.970 15.671 -12.456 1.00 20.30 H new ATOM 0 HH21 ARG A 6 11.521 12.188 -12.146 1.00 20.21 H new ATOM 0 HH22 ARG A 6 12.198 13.493 -13.126 1.00 20.21 H new ATOM 85 N ASN A 7 12.971 12.664 -5.428 1.00 22.05 N ATOM 86 CA ASN A 7 14.169 12.807 -4.609 1.00 41.24 C ATOM 87 C ASN A 7 14.821 14.169 -4.833 1.00 31.14 C ATOM 88 O ASN A 7 16.020 14.258 -5.098 1.00 14.33 O ATOM 89 CB ASN A 7 15.167 11.692 -4.930 1.00 62.11 C ATOM 90 CG ASN A 7 16.193 11.501 -3.830 1.00 21.54 C ATOM 91 OD1 ASN A 7 15.861 11.079 -2.723 1.00 44.51 O ATOM 92 ND2 ASN A 7 17.449 11.813 -4.132 1.00 3.12 N ATOM 0 H ASN A 7 12.107 12.558 -4.896 1.00 22.05 H new ATOM 0 HA ASN A 7 13.875 12.732 -3.562 1.00 41.24 H new ATOM 0 HB2 ASN A 7 14.627 10.758 -5.086 1.00 62.11 H new ATOM 0 HB3 ASN A 7 15.679 11.924 -5.864 1.00 62.11 H new ATOM 0 HD21 ASN A 7 18.183 11.706 -3.432 1.00 3.12 H new ATOM 0 HD22 ASN A 7 17.679 12.160 -5.063 1.00 3.12 H new ATOM 99 N SER A 8 14.023 15.226 -4.724 1.00 24.22 N ATOM 100 CA SER A 8 14.522 16.583 -4.916 1.00 22.12 C ATOM 101 C SER A 8 14.111 17.482 -3.755 1.00 52.21 C ATOM 102 O SER A 8 13.003 17.372 -3.231 1.00 13.32 O ATOM 103 CB SER A 8 13.996 17.159 -6.233 1.00 33.23 C ATOM 104 OG SER A 8 12.582 17.242 -6.225 1.00 33.12 O ATOM 0 H SER A 8 13.029 15.169 -4.504 1.00 24.22 H new ATOM 0 HA SER A 8 15.611 16.543 -4.953 1.00 22.12 H new ATOM 0 HB2 SER A 8 14.421 18.150 -6.395 1.00 33.23 H new ATOM 0 HB3 SER A 8 14.322 16.533 -7.063 1.00 33.23 H new ATOM 0 HG SER A 8 12.271 17.615 -7.077 1.00 33.12 H new ATOM 110 N ASP A 9 15.014 18.372 -3.358 1.00 22.51 N ATOM 111 CA ASP A 9 14.747 19.293 -2.259 1.00 21.32 C ATOM 112 C ASP A 9 15.696 20.487 -2.307 1.00 15.34 C ATOM 113 O ASP A 9 16.675 20.484 -3.053 1.00 53.40 O ATOM 114 CB ASP A 9 14.882 18.573 -0.917 1.00 63.52 C ATOM 115 CG ASP A 9 14.207 19.322 0.214 1.00 15.42 C ATOM 116 OD1 ASP A 9 12.959 19.332 0.258 1.00 63.00 O ATOM 117 OD2 ASP A 9 14.926 19.898 1.057 1.00 72.34 O1- ATOM 0 H ASP A 9 15.937 18.475 -3.780 1.00 22.51 H new ATOM 0 HA ASP A 9 13.726 19.659 -2.365 1.00 21.32 H new ATOM 0 HB2 ASP A 9 14.448 17.576 -0.998 1.00 63.52 H new ATOM 0 HB3 ASP A 9 15.939 18.443 -0.683 1.00 63.52 H new ATOM 122 N SER A 10 15.398 21.506 -1.508 1.00 51.35 N ATOM 123 CA SER A 10 16.221 22.709 -1.463 1.00 53.41 C ATOM 124 C SER A 10 15.815 23.603 -0.296 1.00 5.23 C ATOM 125 O SER A 10 14.652 23.623 0.111 1.00 2.34 O ATOM 126 CB SER A 10 16.103 23.482 -2.778 1.00 3.51 C ATOM 127 OG SER A 10 14.825 24.081 -2.905 1.00 14.25 O ATOM 0 H SER A 10 14.592 21.523 -0.883 1.00 51.35 H new ATOM 0 HA SER A 10 17.258 22.405 -1.320 1.00 53.41 H new ATOM 0 HB2 SER A 10 16.874 24.251 -2.822 1.00 3.51 H new ATOM 0 HB3 SER A 10 16.277 22.808 -3.617 1.00 3.51 H new ATOM 0 HG SER A 10 14.776 24.570 -3.753 1.00 14.25 H new ATOM 133 N VAL A 11 16.781 24.342 0.240 1.00 42.41 N ATOM 134 CA VAL A 11 16.525 25.239 1.361 1.00 30.25 C ATOM 135 C VAL A 11 16.640 26.698 0.934 1.00 41.31 C ATOM 136 O VAL A 11 17.739 27.205 0.704 1.00 21.42 O ATOM 137 CB VAL A 11 17.501 24.978 2.523 1.00 54.01 C ATOM 138 CG1 VAL A 11 17.146 25.843 3.723 1.00 73.13 C ATOM 139 CG2 VAL A 11 17.498 23.504 2.900 1.00 11.35 C ATOM 0 H VAL A 11 17.748 24.337 -0.084 1.00 42.41 H new ATOM 0 HA VAL A 11 15.508 25.041 1.699 1.00 30.25 H new ATOM 0 HB VAL A 11 18.506 25.245 2.197 1.00 54.01 H new ATOM 0 HG11 VAL A 11 17.846 25.645 4.534 1.00 73.13 H new ATOM 0 HG12 VAL A 11 17.203 26.895 3.443 1.00 73.13 H new ATOM 0 HG13 VAL A 11 16.134 25.610 4.053 1.00 73.13 H new ATOM 0 HG21 VAL A 11 18.193 23.337 3.723 1.00 11.35 H new ATOM 0 HG22 VAL A 11 16.495 23.209 3.207 1.00 11.35 H new ATOM 0 HG23 VAL A 11 17.804 22.908 2.040 1.00 11.35 H new ATOM 149 N LYS A 12 15.498 27.369 0.828 1.00 62.13 N ATOM 150 CA LYS A 12 15.469 28.771 0.430 1.00 73.34 C ATOM 151 C LYS A 12 16.138 29.650 1.483 1.00 3.33 C ATOM 152 O LYS A 12 16.268 29.274 2.648 1.00 14.33 O ATOM 153 CB LYS A 12 14.026 29.231 0.211 1.00 2.21 C ATOM 154 CG LYS A 12 13.459 28.829 -1.139 1.00 61.00 C ATOM 155 CD LYS A 12 14.211 29.492 -2.281 1.00 54.34 C ATOM 156 CE LYS A 12 13.534 29.236 -3.618 1.00 72.12 C ATOM 157 NZ LYS A 12 12.381 30.151 -3.841 1.00 15.34 N1+ ATOM 0 H LYS A 12 14.580 26.964 1.012 1.00 62.13 H new ATOM 0 HA LYS A 12 16.021 28.868 -0.505 1.00 73.34 H new ATOM 0 HB2 LYS A 12 13.397 28.815 0.998 1.00 2.21 H new ATOM 0 HB3 LYS A 12 13.981 30.316 0.306 1.00 2.21 H new ATOM 0 HG2 LYS A 12 13.511 27.746 -1.248 1.00 61.00 H new ATOM 0 HG3 LYS A 12 12.405 29.104 -1.188 1.00 61.00 H new ATOM 0 HD2 LYS A 12 14.272 30.566 -2.103 1.00 54.34 H new ATOM 0 HD3 LYS A 12 15.233 29.115 -2.312 1.00 54.34 H new ATOM 0 HE2 LYS A 12 14.259 29.363 -4.422 1.00 72.12 H new ATOM 0 HE3 LYS A 12 13.190 28.202 -3.659 1.00 72.12 H new ATOM 0 HZ1 LYS A 12 11.947 29.944 -4.763 1.00 15.34 H new ATOM 0 HZ2 LYS A 12 11.677 30.012 -3.088 1.00 15.34 H new ATOM 0 HZ3 LYS A 12 12.712 31.137 -3.828 1.00 15.34 H new ATOM 171 N PRO A 13 16.572 30.849 1.065 1.00 65.41 N ATOM 172 CA PRO A 13 17.234 31.806 1.957 1.00 11.50 C ATOM 173 C PRO A 13 16.274 32.401 2.982 1.00 11.34 C ATOM 174 O PRO A 13 15.131 31.960 3.108 1.00 73.15 O ATOM 175 CB PRO A 13 17.736 32.891 1.003 1.00 0.34 C ATOM 176 CG PRO A 13 16.827 32.812 -0.174 1.00 53.31 C ATOM 177 CD PRO A 13 16.450 31.362 -0.309 1.00 75.22 C ATOM 0 HA PRO A 13 18.024 31.337 2.544 1.00 11.50 H new ATOM 0 HB2 PRO A 13 17.696 33.876 1.468 1.00 0.34 H new ATOM 0 HB3 PRO A 13 18.773 32.716 0.715 1.00 0.34 H new ATOM 0 HG2 PRO A 13 15.943 33.433 -0.027 1.00 53.31 H new ATOM 0 HG3 PRO A 13 17.323 33.172 -1.075 1.00 53.31 H new ATOM 0 HD2 PRO A 13 15.437 31.244 -0.693 1.00 75.22 H new ATOM 0 HD3 PRO A 13 17.114 30.836 -0.995 1.00 75.22 H new ATOM 185 N THR A 14 16.746 33.406 3.714 1.00 50.15 N ATOM 186 CA THR A 14 15.930 34.061 4.729 1.00 1.34 C ATOM 187 C THR A 14 14.922 35.012 4.095 1.00 54.32 C ATOM 188 O THR A 14 14.869 35.150 2.872 1.00 63.22 O ATOM 189 CB THR A 14 16.800 34.845 5.729 1.00 4.25 C ATOM 190 OG1 THR A 14 17.784 35.612 5.025 1.00 32.32 O ATOM 191 CG2 THR A 14 17.488 33.903 6.705 1.00 71.31 C ATOM 0 H THR A 14 17.689 33.784 3.623 1.00 50.15 H new ATOM 0 HA THR A 14 15.397 33.274 5.262 1.00 1.34 H new ATOM 0 HB THR A 14 16.151 35.515 6.293 1.00 4.25 H new ATOM 0 HG1 THR A 14 18.332 36.109 5.667 1.00 32.32 H new ATOM 0 HG21 THR A 14 18.096 34.481 7.401 1.00 71.31 H new ATOM 0 HG22 THR A 14 16.736 33.342 7.260 1.00 71.31 H new ATOM 0 HG23 THR A 14 18.125 33.211 6.155 1.00 71.31 H new ATOM 199 N GLN A 15 14.124 35.667 4.932 1.00 40.52 N ATOM 200 CA GLN A 15 13.118 36.606 4.451 1.00 43.15 C ATOM 201 C GLN A 15 12.802 37.655 5.511 1.00 33.21 C ATOM 202 O GLN A 15 13.249 37.551 6.653 1.00 53.53 O ATOM 203 CB GLN A 15 11.841 35.860 4.059 1.00 31.55 C ATOM 204 CG GLN A 15 11.908 35.224 2.679 1.00 43.34 C ATOM 205 CD GLN A 15 12.389 33.788 2.722 1.00 4.04 C ATOM 206 OE1 GLN A 15 12.324 33.130 3.761 1.00 13.04 O ATOM 207 NE2 GLN A 15 12.876 33.292 1.590 1.00 54.10 N ATOM 0 H GLN A 15 14.155 35.565 5.946 1.00 40.52 H new ATOM 0 HA GLN A 15 13.520 37.112 3.573 1.00 43.15 H new ATOM 0 HB2 GLN A 15 11.642 35.084 4.798 1.00 31.55 H new ATOM 0 HB3 GLN A 15 11.001 36.554 4.090 1.00 31.55 H new ATOM 0 HG2 GLN A 15 10.921 35.259 2.219 1.00 43.34 H new ATOM 0 HG3 GLN A 15 12.576 35.808 2.046 1.00 43.34 H new ATOM 0 HE21 GLN A 15 12.911 33.873 0.752 1.00 54.10 H new ATOM 0 HE22 GLN A 15 13.215 32.330 1.559 1.00 54.10 H new ATOM 216 N GLN A 16 12.029 38.666 5.125 1.00 34.12 N ATOM 217 CA GLN A 16 11.655 39.735 6.043 1.00 54.22 C ATOM 218 C GLN A 16 10.291 39.464 6.667 1.00 30.53 C ATOM 219 O GLN A 16 10.060 39.771 7.837 1.00 42.22 O ATOM 220 CB GLN A 16 11.638 41.079 5.313 1.00 60.44 C ATOM 221 CG GLN A 16 12.768 41.241 4.310 1.00 73.51 C ATOM 222 CD GLN A 16 14.137 41.193 4.958 1.00 50.44 C ATOM 223 OE1 GLN A 16 14.334 41.711 6.059 1.00 75.13 O ATOM 224 NE2 GLN A 16 15.093 40.569 4.280 1.00 74.11 N ATOM 0 H GLN A 16 11.650 38.767 4.183 1.00 34.12 H new ATOM 0 HA GLN A 16 12.397 39.772 6.840 1.00 54.22 H new ATOM 0 HB2 GLN A 16 10.685 41.190 4.795 1.00 60.44 H new ATOM 0 HB3 GLN A 16 11.697 41.883 6.047 1.00 60.44 H new ATOM 0 HG2 GLN A 16 12.698 40.453 3.560 1.00 73.51 H new ATOM 0 HG3 GLN A 16 12.651 42.190 3.787 1.00 73.51 H new ATOM 0 HE21 GLN A 16 14.886 40.154 3.371 1.00 74.11 H new ATOM 0 HE22 GLN A 16 16.034 40.505 4.668 1.00 74.11 H new ATOM 233 N ALA A 17 9.389 38.889 5.878 1.00 72.44 N ATOM 234 CA ALA A 17 8.047 38.575 6.354 1.00 21.42 C ATOM 235 C ALA A 17 8.096 37.644 7.561 1.00 22.12 C ATOM 236 O ALA A 17 8.736 36.593 7.521 1.00 4.12 O ATOM 237 CB ALA A 17 7.223 37.951 5.238 1.00 42.13 C ATOM 0 H ALA A 17 9.563 38.631 4.907 1.00 72.44 H new ATOM 0 HA ALA A 17 7.572 39.506 6.665 1.00 21.42 H new ATOM 0 HB1 ALA A 17 6.224 37.722 5.608 1.00 42.13 H new ATOM 0 HB2 ALA A 17 7.150 38.650 4.405 1.00 42.13 H new ATOM 0 HB3 ALA A 17 7.704 37.033 4.900 1.00 42.13 H new ATOM 243 N ARG A 18 7.417 38.036 8.634 1.00 33.52 N ATOM 244 CA ARG A 18 7.385 37.238 9.853 1.00 13.22 C ATOM 245 C ARG A 18 7.006 35.793 9.546 1.00 32.13 C ATOM 246 O ARG A 18 5.862 35.482 9.210 1.00 45.04 O ATOM 247 CB ARG A 18 6.393 37.835 10.853 1.00 74.21 C ATOM 248 CG ARG A 18 6.763 37.578 12.304 1.00 51.14 C ATOM 249 CD ARG A 18 6.503 36.132 12.698 1.00 72.54 C ATOM 250 NE ARG A 18 6.764 35.896 14.115 1.00 24.34 N ATOM 251 CZ ARG A 18 6.330 34.827 14.774 1.00 34.35 C ATOM 252 NH1 ARG A 18 5.619 33.901 14.147 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 6.608 34.683 16.064 1.00 44.41 N ATOM 0 H ARG A 18 6.881 38.902 8.684 1.00 33.52 H new ATOM 0 HA ARG A 18 8.383 37.249 10.291 1.00 13.22 H new ATOM 0 HB2 ARG A 18 6.327 38.911 10.689 1.00 74.21 H new ATOM 0 HB3 ARG A 18 5.403 37.422 10.661 1.00 74.21 H new ATOM 0 HG2 ARG A 18 7.815 37.815 12.460 1.00 51.14 H new ATOM 0 HG3 ARG A 18 6.188 38.241 12.950 1.00 51.14 H new ATOM 0 HD2 ARG A 18 5.468 35.875 12.472 1.00 72.54 H new ATOM 0 HD3 ARG A 18 7.133 35.474 12.099 1.00 72.54 H new ATOM 0 HE ARG A 18 7.309 36.590 14.627 1.00 24.34 H new ATOM 0 HH11 ARG A 18 5.404 34.008 13.156 1.00 13.44 H new ATOM 0 HH12 ARG A 18 5.287 33.081 14.656 1.00 13.44 H new ATOM 0 HH21 ARG A 18 7.155 35.393 16.550 1.00 44.41 H new ATOM 0 HH22 ARG A 18 6.274 33.862 16.569 1.00 44.41 H new ATOM 267 N PRO A 19 7.987 34.885 9.661 1.00 42.30 N ATOM 268 CA PRO A 19 7.781 33.458 9.401 1.00 72.54 C ATOM 269 C PRO A 19 6.909 32.794 10.462 1.00 40.44 C ATOM 270 O PRO A 19 7.087 33.023 11.659 1.00 14.01 O ATOM 271 CB PRO A 19 9.199 32.882 9.438 1.00 10.11 C ATOM 272 CG PRO A 19 9.968 33.824 10.298 1.00 63.22 C ATOM 273 CD PRO A 19 9.374 35.184 10.057 1.00 44.21 C ATOM 0 HA PRO A 19 7.261 33.287 8.458 1.00 72.54 H new ATOM 0 HB2 PRO A 19 9.206 31.873 9.851 1.00 10.11 H new ATOM 0 HB3 PRO A 19 9.627 32.820 8.438 1.00 10.11 H new ATOM 0 HG2 PRO A 19 9.890 33.545 11.349 1.00 63.22 H new ATOM 0 HG3 PRO A 19 11.027 33.810 10.042 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.411 35.803 10.953 1.00 44.21 H new ATOM 0 HD3 PRO A 19 9.908 35.723 9.274 1.00 44.21 H new ATOM 281 N THR A 20 5.965 31.971 10.016 1.00 65.22 N ATOM 282 CA THR A 20 5.065 31.275 10.927 1.00 1.42 C ATOM 283 C THR A 20 5.305 29.770 10.893 1.00 44.04 C ATOM 284 O THR A 20 5.191 29.137 9.844 1.00 14.52 O ATOM 285 CB THR A 20 3.591 31.557 10.584 1.00 74.14 C ATOM 286 OG1 THR A 20 3.333 32.964 10.648 1.00 14.13 O ATOM 287 CG2 THR A 20 2.663 30.822 11.540 1.00 21.30 C ATOM 0 H THR A 20 5.804 31.770 9.029 1.00 65.22 H new ATOM 0 HA THR A 20 5.275 31.651 11.928 1.00 1.42 H new ATOM 0 HB THR A 20 3.402 31.199 9.572 1.00 74.14 H new ATOM 0 HG1 THR A 20 2.900 33.179 11.500 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.627 31.036 11.278 1.00 21.30 H new ATOM 0 HG22 THR A 20 2.841 29.749 11.467 1.00 21.30 H new ATOM 0 HG23 THR A 20 2.855 31.153 12.560 1.00 21.30 H new ATOM 295 N VAL A 21 5.636 29.202 12.049 1.00 72.24 N ATOM 296 CA VAL A 21 5.889 27.770 12.151 1.00 21.13 C ATOM 297 C VAL A 21 4.656 27.029 12.653 1.00 13.22 C ATOM 298 O VAL A 21 4.126 27.337 13.721 1.00 54.24 O ATOM 299 CB VAL A 21 7.070 27.475 13.094 1.00 64.20 C ATOM 300 CG1 VAL A 21 6.828 28.092 14.464 1.00 41.02 C ATOM 301 CG2 VAL A 21 7.299 25.975 13.209 1.00 62.22 C ATOM 0 H VAL A 21 5.735 29.712 12.927 1.00 72.24 H new ATOM 0 HA VAL A 21 6.137 27.420 11.149 1.00 21.13 H new ATOM 0 HB VAL A 21 7.969 27.926 12.673 1.00 64.20 H new ATOM 0 HG11 VAL A 21 7.673 27.873 15.116 1.00 41.02 H new ATOM 0 HG12 VAL A 21 6.718 29.172 14.363 1.00 41.02 H new ATOM 0 HG13 VAL A 21 5.919 27.674 14.896 1.00 41.02 H new ATOM 0 HG21 VAL A 21 8.137 25.785 13.879 1.00 62.22 H new ATOM 0 HG22 VAL A 21 6.402 25.499 13.606 1.00 62.22 H new ATOM 0 HG23 VAL A 21 7.522 25.564 12.224 1.00 62.22 H new ATOM 311 N ILE A 22 4.203 26.050 11.876 1.00 3.43 N ATOM 312 CA ILE A 22 3.033 25.262 12.243 1.00 12.44 C ATOM 313 C ILE A 22 3.415 23.818 12.548 1.00 32.43 C ATOM 314 O ILE A 22 4.201 23.207 11.822 1.00 24.12 O ATOM 315 CB ILE A 22 1.972 25.277 11.127 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.713 26.710 10.659 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.683 24.631 11.612 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.694 26.807 9.545 1.00 60.50 C ATOM 0 H ILE A 22 4.629 25.784 10.988 1.00 3.43 H new ATOM 0 HA ILE A 22 2.613 25.720 13.139 1.00 12.44 H new ATOM 0 HB ILE A 22 2.348 24.701 10.281 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.371 27.304 11.506 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.652 27.148 10.321 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.057 24.649 10.812 1.00 52.15 H new ATOM 0 HG22 ILE A 22 0.880 23.598 11.901 1.00 52.15 H new ATOM 0 HG23 ILE A 22 0.301 25.182 12.472 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.561 27.852 9.264 1.00 60.50 H new ATOM 0 HD12 ILE A 22 1.044 26.241 8.682 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.257 26.399 9.886 1.00 60.50 H new ATOM 330 N ARG A 23 2.852 23.276 13.623 1.00 11.32 N ATOM 331 CA ARG A 23 3.133 21.903 14.022 1.00 71.41 C ATOM 332 C ARG A 23 1.934 20.999 13.745 1.00 72.25 C ATOM 333 O ARG A 23 0.789 21.449 13.764 1.00 15.13 O ATOM 334 CB ARG A 23 3.496 21.845 15.508 1.00 10.01 C ATOM 335 CG ARG A 23 3.765 20.438 16.014 1.00 51.15 C ATOM 336 CD ARG A 23 4.294 20.451 17.440 1.00 13.14 C ATOM 337 NE ARG A 23 5.684 20.893 17.505 1.00 73.24 N ATOM 338 CZ ARG A 23 6.422 20.841 18.608 1.00 1.22 C ATOM 339 NH1 ARG A 23 5.904 20.369 19.733 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 7.680 21.262 18.588 1.00 60.42 N ATOM 0 H ARG A 23 2.199 23.767 14.233 1.00 11.32 H new ATOM 0 HA ARG A 23 3.979 21.547 13.434 1.00 71.41 H new ATOM 0 HB2 ARG A 23 4.379 22.460 15.682 1.00 10.01 H new ATOM 0 HB3 ARG A 23 2.684 22.282 16.089 1.00 10.01 H new ATOM 0 HG2 ARG A 23 2.847 19.853 15.971 1.00 51.15 H new ATOM 0 HG3 ARG A 23 4.487 19.947 15.361 1.00 51.15 H new ATOM 0 HD2 ARG A 23 3.676 21.110 18.050 1.00 13.14 H new ATOM 0 HD3 ARG A 23 4.211 19.451 17.866 1.00 13.14 H new ATOM 0 HE ARG A 23 6.112 21.262 16.656 1.00 73.24 H new ATOM 0 HH11 ARG A 23 4.937 20.045 19.753 1.00 61.23 H new ATOM 0 HH12 ARG A 23 6.472 20.330 20.579 1.00 61.23 H new ATOM 0 HH21 ARG A 23 8.082 21.627 17.724 1.00 60.42 H new ATOM 0 HH22 ARG A 23 8.245 21.221 19.436 1.00 60.42 H new ATOM 354 N TRP A 24 2.207 19.726 13.488 1.00 3.23 N ATOM 355 CA TRP A 24 1.152 18.759 13.206 1.00 15.23 C ATOM 356 C TRP A 24 1.283 17.533 14.102 1.00 63.45 C ATOM 357 O TRP A 24 2.372 16.983 14.262 1.00 54.01 O ATOM 358 CB TRP A 24 1.195 18.340 11.736 1.00 72.25 C ATOM 359 CG TRP A 24 0.304 17.176 11.424 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.690 15.886 11.200 1.00 34.04 C ATOM 361 CD2 TRP A 24 -1.122 17.197 11.301 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.412 15.104 10.944 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.535 15.885 11.001 1.00 15.10 C ATOM 364 CE3 TRP A 24 -2.092 18.198 11.415 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -2.874 15.549 10.814 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.419 17.863 11.230 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.801 16.548 10.932 1.00 33.23 C ATOM 0 H TRP A 24 3.150 19.338 13.469 1.00 3.23 H new ATOM 0 HA TRP A 24 0.193 19.235 13.412 1.00 15.23 H new ATOM 0 HB2 TRP A 24 0.904 19.188 11.115 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.220 18.086 11.468 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.710 15.532 11.221 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.395 14.104 10.744 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -1.808 19.215 11.644 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.170 14.536 10.584 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.176 18.628 11.317 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -4.847 16.319 10.793 1.00 33.23 H new ATOM 378 N SER A 25 0.166 17.108 14.685 1.00 32.42 N ATOM 379 CA SER A 25 0.157 15.948 15.568 1.00 61.31 C ATOM 380 C SER A 25 -0.858 14.912 15.094 1.00 1.43 C ATOM 381 O SER A 25 -2.058 15.181 15.046 1.00 0.20 O ATOM 382 CB SER A 25 -0.163 16.374 17.001 1.00 74.14 C ATOM 383 OG SER A 25 0.106 15.327 17.917 1.00 11.02 O ATOM 0 H SER A 25 -0.745 17.550 14.561 1.00 32.42 H new ATOM 0 HA SER A 25 1.149 15.496 15.544 1.00 61.31 H new ATOM 0 HB2 SER A 25 0.428 17.251 17.263 1.00 74.14 H new ATOM 0 HB3 SER A 25 -1.212 16.663 17.072 1.00 74.14 H new ATOM 0 HG SER A 25 -0.105 15.625 18.826 1.00 11.02 H new ATOM 389 N GLU A 26 -0.366 13.727 14.746 1.00 53.04 N ATOM 390 CA GLU A 26 -1.230 12.651 14.275 1.00 60.10 C ATOM 391 C GLU A 26 -0.490 11.317 14.282 1.00 74.23 C ATOM 392 O GLU A 26 -0.966 10.332 14.846 1.00 22.33 O ATOM 393 CB GLU A 26 -1.741 12.956 12.865 1.00 62.15 C ATOM 394 CG GLU A 26 -2.819 11.998 12.388 1.00 12.22 C ATOM 395 CD GLU A 26 -2.287 10.951 11.429 1.00 34.13 C ATOM 396 OE1 GLU A 26 -1.799 11.332 10.345 1.00 23.12 O1- ATOM 397 OE2 GLU A 26 -2.358 9.750 11.765 1.00 61.43 O ATOM 0 H GLU A 26 0.625 13.488 14.781 1.00 53.04 H new ATOM 0 HA GLU A 26 -2.080 12.579 14.954 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -2.134 13.972 12.842 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -0.903 12.922 12.169 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -3.266 11.502 13.250 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -3.612 12.564 11.899 1.00 12.22 H new ATOM 404 N GLY A 27 0.680 11.291 13.649 1.00 15.14 N ATOM 405 CA GLY A 27 1.467 10.074 13.593 1.00 4.13 C ATOM 406 C GLY A 27 1.539 9.493 12.195 1.00 73.25 C ATOM 407 O GLY A 27 1.560 8.276 12.020 1.00 40.05 O ATOM 0 H GLY A 27 1.096 12.092 13.174 1.00 15.14 H new ATOM 0 HA2 GLY A 27 2.476 10.281 13.949 1.00 4.13 H new ATOM 0 HA3 GLY A 27 1.036 9.335 14.268 1.00 4.13 H new ATOM 411 N GLY A 28 1.574 10.368 11.193 1.00 1.41 N ATOM 412 CA GLY A 28 1.641 9.916 9.816 1.00 61.23 C ATOM 413 C GLY A 28 3.067 9.783 9.318 1.00 31.04 C ATOM 414 O GLY A 28 4.018 9.994 10.071 1.00 11.20 O ATOM 0 H GLY A 28 1.557 11.381 11.311 1.00 1.41 H new ATOM 0 HA2 GLY A 28 1.137 8.953 9.728 1.00 61.23 H new ATOM 0 HA3 GLY A 28 1.101 10.617 9.180 1.00 61.23 H new ATOM 418 N LYS A 29 3.217 9.429 8.046 1.00 2.02 N ATOM 419 CA LYS A 29 4.536 9.267 7.447 1.00 70.24 C ATOM 420 C LYS A 29 4.849 10.418 6.499 1.00 44.33 C ATOM 421 O LYS A 29 5.997 10.844 6.382 1.00 44.34 O ATOM 422 CB LYS A 29 4.617 7.936 6.696 1.00 33.13 C ATOM 423 CG LYS A 29 3.435 7.684 5.776 1.00 54.20 C ATOM 424 CD LYS A 29 2.406 6.776 6.429 1.00 2.42 C ATOM 425 CE LYS A 29 2.931 5.358 6.583 1.00 32.15 C ATOM 426 NZ LYS A 29 3.217 5.023 8.005 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.440 9.249 7.410 1.00 2.02 H new ATOM 0 HA LYS A 29 5.274 9.271 8.249 1.00 70.24 H new ATOM 0 HB2 LYS A 29 5.535 7.915 6.108 1.00 33.13 H new ATOM 0 HB3 LYS A 29 4.683 7.124 7.420 1.00 33.13 H new ATOM 0 HG2 LYS A 29 2.969 8.633 5.512 1.00 54.20 H new ATOM 0 HG3 LYS A 29 3.785 7.232 4.848 1.00 54.20 H new ATOM 0 HD2 LYS A 29 2.137 7.174 7.408 1.00 2.42 H new ATOM 0 HD3 LYS A 29 1.496 6.765 5.829 1.00 2.42 H new ATOM 0 HE2 LYS A 29 2.200 4.655 6.184 1.00 32.15 H new ATOM 0 HE3 LYS A 29 3.840 5.241 5.993 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 2.978 4.026 8.182 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 4.226 5.177 8.202 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 2.646 5.631 8.626 1.00 31.05 H new ATOM 440 N GLU A 30 3.819 10.920 5.824 1.00 70.41 N ATOM 441 CA GLU A 30 3.984 12.023 4.884 1.00 31.12 C ATOM 442 C GLU A 30 2.966 13.126 5.156 1.00 62.13 C ATOM 443 O GLU A 30 1.758 12.913 5.042 1.00 50.04 O ATOM 444 CB GLU A 30 3.841 11.524 3.445 1.00 52.54 C ATOM 445 CG GLU A 30 5.001 10.658 2.983 1.00 64.11 C ATOM 446 CD GLU A 30 6.310 11.423 2.918 1.00 64.32 C ATOM 447 OE1 GLU A 30 6.266 12.664 2.788 1.00 41.54 O ATOM 448 OE2 GLU A 30 7.378 10.780 2.998 1.00 24.13 O1- ATOM 0 H GLU A 30 2.861 10.580 5.911 1.00 70.41 H new ATOM 0 HA GLU A 30 4.984 12.434 5.019 1.00 31.12 H new ATOM 0 HB2 GLU A 30 2.916 10.954 3.357 1.00 52.54 H new ATOM 0 HB3 GLU A 30 3.751 12.382 2.779 1.00 52.54 H new ATOM 0 HG2 GLU A 30 5.112 9.813 3.662 1.00 64.11 H new ATOM 0 HG3 GLU A 30 4.774 10.248 1.999 1.00 64.11 H new ATOM 455 N VAL A 31 3.461 14.307 5.516 1.00 74.14 N ATOM 456 CA VAL A 31 2.595 15.444 5.802 1.00 50.44 C ATOM 457 C VAL A 31 2.984 16.656 4.964 1.00 42.45 C ATOM 458 O VAL A 31 4.166 16.923 4.750 1.00 5.15 O ATOM 459 CB VAL A 31 2.648 15.826 7.294 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.592 16.875 7.614 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.468 14.593 8.167 1.00 3.42 C ATOM 0 H VAL A 31 4.457 14.500 5.616 1.00 74.14 H new ATOM 0 HA VAL A 31 1.579 15.142 5.547 1.00 50.44 H new ATOM 0 HB VAL A 31 3.628 16.254 7.507 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.644 17.133 8.672 1.00 75.11 H new ATOM 0 HG12 VAL A 31 1.772 17.767 7.014 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.603 16.477 7.386 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.508 14.882 9.217 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.503 14.134 7.954 1.00 3.42 H new ATOM 0 HG23 VAL A 31 3.264 13.879 7.956 1.00 3.42 H new ATOM 471 N PHE A 32 1.980 17.389 4.492 1.00 3.30 N ATOM 472 CA PHE A 32 2.217 18.573 3.676 1.00 33.30 C ATOM 473 C PHE A 32 1.306 19.720 4.105 1.00 0.43 C ATOM 474 O PHE A 32 0.425 19.545 4.948 1.00 64.31 O ATOM 475 CB PHE A 32 1.989 18.253 2.197 1.00 54.22 C ATOM 476 CG PHE A 32 2.676 16.997 1.743 1.00 44.23 C ATOM 477 CD1 PHE A 32 3.997 17.027 1.324 1.00 31.12 C ATOM 478 CD2 PHE A 32 2.002 15.787 1.734 1.00 61.04 C ATOM 479 CE1 PHE A 32 4.631 15.873 0.905 1.00 15.41 C ATOM 480 CE2 PHE A 32 2.632 14.629 1.316 1.00 62.11 C ATOM 481 CZ PHE A 32 3.948 14.672 0.902 1.00 40.11 C ATOM 0 H PHE A 32 0.995 17.183 4.661 1.00 3.30 H new ATOM 0 HA PHE A 32 3.253 18.881 3.819 1.00 33.30 H new ATOM 0 HB2 PHE A 32 0.919 18.158 2.015 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.342 19.089 1.594 1.00 54.22 H new ATOM 0 HD1 PHE A 32 4.537 17.963 1.325 1.00 31.12 H new ATOM 0 HD2 PHE A 32 0.972 15.747 2.057 1.00 61.04 H new ATOM 0 HE1 PHE A 32 5.660 15.910 0.580 1.00 15.41 H new ATOM 0 HE2 PHE A 32 2.095 13.692 1.314 1.00 62.11 H new ATOM 0 HZ PHE A 32 4.443 13.769 0.576 1.00 40.11 H new ATOM 491 N ILE A 33 1.526 20.893 3.521 1.00 13.34 N ATOM 492 CA ILE A 33 0.727 22.068 3.842 1.00 72.44 C ATOM 493 C ILE A 33 0.519 22.945 2.613 1.00 11.41 C ATOM 494 O ILE A 33 1.424 23.110 1.795 1.00 13.30 O ATOM 495 CB ILE A 33 1.382 22.909 4.953 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.478 24.082 5.337 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.747 23.409 4.503 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.860 24.737 6.645 1.00 0.14 C ATOM 0 H ILE A 33 2.252 21.055 2.823 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.239 21.705 4.194 1.00 72.44 H new ATOM 0 HB ILE A 33 1.519 22.279 5.832 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.509 24.829 4.544 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.551 23.730 5.403 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.198 24.002 5.299 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.389 22.558 4.276 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.633 24.026 3.611 1.00 11.24 H new ATOM 0 HD11 ILE A 33 0.176 25.560 6.853 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.801 24.004 7.450 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.878 25.120 6.576 1.00 0.14 H new ATOM 510 N SER A 34 -0.679 23.507 2.488 1.00 74.21 N ATOM 511 CA SER A 34 -1.007 24.366 1.357 1.00 21.11 C ATOM 512 C SER A 34 -2.008 25.443 1.764 1.00 75.54 C ATOM 513 O SER A 34 -2.954 25.179 2.504 1.00 75.43 O ATOM 514 CB SER A 34 -1.576 23.534 0.206 1.00 25.35 C ATOM 515 OG SER A 34 -2.987 23.649 0.143 1.00 52.43 O ATOM 0 H SER A 34 -1.439 23.383 3.157 1.00 74.21 H new ATOM 0 HA SER A 34 -0.090 24.854 1.025 1.00 21.11 H new ATOM 0 HB2 SER A 34 -1.139 23.864 -0.736 1.00 25.35 H new ATOM 0 HB3 SER A 34 -1.299 22.488 0.337 1.00 25.35 H new ATOM 0 HG SER A 34 -3.228 24.534 -0.203 1.00 52.43 H new ATOM 521 N GLY A 35 -1.791 26.660 1.274 1.00 54.31 N ATOM 522 CA GLY A 35 -2.681 27.760 1.598 1.00 42.32 C ATOM 523 C GLY A 35 -2.587 28.896 0.599 1.00 45.21 C ATOM 524 O GLY A 35 -1.910 28.777 -0.423 1.00 21.03 O ATOM 0 H GLY A 35 -1.015 26.904 0.659 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -3.707 27.395 1.632 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.443 28.135 2.593 1.00 42.32 H new ATOM 528 N SER A 36 -3.268 29.998 0.892 1.00 75.24 N ATOM 529 CA SER A 36 -3.264 31.158 0.008 1.00 34.33 C ATOM 530 C SER A 36 -1.891 31.824 -0.006 1.00 71.13 C ATOM 531 O SER A 36 -1.599 32.652 -0.870 1.00 4.31 O ATOM 532 CB SER A 36 -4.327 32.165 0.449 1.00 65.34 C ATOM 533 OG SER A 36 -4.343 33.297 -0.405 1.00 13.12 O ATOM 0 H SER A 36 -3.830 30.113 1.735 1.00 75.24 H new ATOM 0 HA SER A 36 -3.494 30.817 -1.001 1.00 34.33 H new ATOM 0 HB2 SER A 36 -5.307 31.689 0.445 1.00 65.34 H new ATOM 0 HB3 SER A 36 -4.130 32.481 1.473 1.00 65.34 H new ATOM 0 HG SER A 36 -3.505 33.336 -0.912 1.00 13.12 H new ATOM 539 N PHE A 37 -1.052 31.456 0.956 1.00 23.10 N ATOM 540 CA PHE A 37 0.290 32.018 1.056 1.00 11.12 C ATOM 541 C PHE A 37 1.189 31.479 -0.053 1.00 50.51 C ATOM 542 O PHE A 37 2.224 32.066 -0.367 1.00 73.12 O ATOM 543 CB PHE A 37 0.900 31.696 2.423 1.00 22.03 C ATOM 544 CG PHE A 37 0.952 30.226 2.725 1.00 62.52 C ATOM 545 CD1 PHE A 37 1.976 29.438 2.224 1.00 1.14 C ATOM 546 CD2 PHE A 37 -0.023 29.631 3.509 1.00 4.33 C ATOM 547 CE1 PHE A 37 2.028 28.084 2.501 1.00 24.12 C ATOM 548 CE2 PHE A 37 0.023 28.279 3.790 1.00 63.12 C ATOM 549 CZ PHE A 37 1.049 27.505 3.283 1.00 45.15 C ATOM 0 H PHE A 37 -1.277 30.771 1.678 1.00 23.10 H new ATOM 0 HA PHE A 37 0.213 33.100 0.945 1.00 11.12 H new ATOM 0 HB2 PHE A 37 1.910 32.104 2.466 1.00 22.03 H new ATOM 0 HB3 PHE A 37 0.320 32.198 3.198 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.743 29.887 1.610 1.00 1.14 H new ATOM 0 HD2 PHE A 37 -0.829 30.231 3.905 1.00 4.33 H new ATOM 0 HE1 PHE A 37 2.833 27.481 2.106 1.00 24.12 H new ATOM 0 HE2 PHE A 37 -0.742 27.828 4.405 1.00 63.12 H new ATOM 0 HZ PHE A 37 1.085 26.447 3.498 1.00 45.15 H new ATOM 559 N ASN A 38 0.784 30.360 -0.643 1.00 22.03 N ATOM 560 CA ASN A 38 1.553 29.741 -1.717 1.00 73.21 C ATOM 561 C ASN A 38 0.696 29.564 -2.967 1.00 65.12 C ATOM 562 O ASN A 38 1.041 28.797 -3.865 1.00 33.34 O ATOM 563 CB ASN A 38 2.102 28.387 -1.266 1.00 74.54 C ATOM 564 CG ASN A 38 1.085 27.271 -1.418 1.00 31.23 C ATOM 565 OD1 ASN A 38 0.128 27.180 -0.649 1.00 32.13 O ATOM 566 ND2 ASN A 38 1.291 26.416 -2.412 1.00 70.32 N ATOM 0 H ASN A 38 -0.072 29.863 -0.396 1.00 22.03 H new ATOM 0 HA ASN A 38 2.387 30.400 -1.959 1.00 73.21 H new ATOM 0 HB2 ASN A 38 2.991 28.146 -1.848 1.00 74.54 H new ATOM 0 HB3 ASN A 38 2.412 28.453 -0.223 1.00 74.54 H new ATOM 0 HD21 ASN A 38 0.642 25.644 -2.563 1.00 70.32 H new ATOM 0 HD22 ASN A 38 2.098 26.531 -3.025 1.00 70.32 H new ATOM 573 N ASN A 39 -0.423 30.280 -3.017 1.00 74.22 N ATOM 574 CA ASN A 39 -1.329 30.202 -4.157 1.00 43.44 C ATOM 575 C ASN A 39 -1.855 28.781 -4.338 1.00 54.22 C ATOM 576 O ASN A 39 -2.327 28.417 -5.414 1.00 61.41 O ATOM 577 CB ASN A 39 -0.620 30.662 -5.432 1.00 4.25 C ATOM 578 CG ASN A 39 -1.569 31.319 -6.416 1.00 33.23 C ATOM 579 OD1 ASN A 39 -2.777 31.086 -6.381 1.00 13.05 O ATOM 580 ND2 ASN A 39 -1.023 32.145 -7.301 1.00 32.44 N ATOM 0 H ASN A 39 -0.724 30.920 -2.282 1.00 74.22 H new ATOM 0 HA ASN A 39 -2.175 30.861 -3.962 1.00 43.44 H new ATOM 0 HB2 ASN A 39 0.172 31.364 -5.171 1.00 4.25 H new ATOM 0 HB3 ASN A 39 -0.143 29.806 -5.908 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -1.610 32.616 -7.989 1.00 32.44 H new ATOM 0 HD22 ASN A 39 -0.016 32.308 -7.293 1.00 32.44 H new ATOM 587 N TRP A 40 -1.768 27.985 -3.279 1.00 11.01 N ATOM 588 CA TRP A 40 -2.234 26.604 -3.321 1.00 32.51 C ATOM 589 C TRP A 40 -1.638 25.863 -4.513 1.00 23.40 C ATOM 590 O TRP A 40 -2.254 24.948 -5.059 1.00 14.41 O ATOM 591 CB TRP A 40 -3.762 26.562 -3.391 1.00 1.54 C ATOM 592 CG TRP A 40 -4.428 27.394 -2.337 1.00 50.23 C ATOM 593 CD1 TRP A 40 -4.632 28.743 -2.365 1.00 31.41 C ATOM 594 CD2 TRP A 40 -4.975 26.930 -1.098 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.272 29.147 -1.219 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.495 28.053 -0.426 1.00 20.21 C ATOM 597 CE3 TRP A 40 -5.078 25.674 -0.493 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -6.108 27.956 0.821 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -5.686 25.580 0.746 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.195 26.715 1.391 1.00 71.30 C ATOM 0 H TRP A 40 -1.379 28.272 -2.381 1.00 11.01 H new ATOM 0 HA TRP A 40 -1.905 26.108 -2.408 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -4.083 26.908 -4.374 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -4.095 25.529 -3.292 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.334 29.397 -3.171 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.538 30.106 -0.995 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -4.690 24.794 -0.984 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.501 28.829 1.320 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -5.770 24.615 1.224 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.665 26.608 2.357 1.00 71.30 H new ATOM 611 N SER A 41 -0.436 26.266 -4.913 1.00 74.51 N ATOM 612 CA SER A 41 0.242 25.642 -6.043 1.00 24.05 C ATOM 613 C SER A 41 0.783 24.267 -5.662 1.00 42.45 C ATOM 614 O SER A 41 0.266 23.239 -6.100 1.00 72.12 O ATOM 615 CB SER A 41 1.383 26.534 -6.536 1.00 64.43 C ATOM 616 OG SER A 41 2.084 25.921 -7.604 1.00 75.12 O ATOM 0 H SER A 41 0.088 27.022 -4.471 1.00 74.51 H new ATOM 0 HA SER A 41 -0.484 25.516 -6.846 1.00 24.05 H new ATOM 0 HB2 SER A 41 0.983 27.494 -6.863 1.00 64.43 H new ATOM 0 HB3 SER A 41 2.070 26.738 -5.715 1.00 64.43 H new ATOM 0 HG SER A 41 2.807 26.511 -7.902 1.00 75.12 H new ATOM 622 N THR A 42 1.828 24.258 -4.840 1.00 73.54 N ATOM 623 CA THR A 42 2.441 23.011 -4.399 1.00 45.04 C ATOM 624 C THR A 42 2.420 22.895 -2.879 1.00 34.20 C ATOM 625 O THR A 42 2.758 23.843 -2.169 1.00 34.44 O ATOM 626 CB THR A 42 3.896 22.896 -4.891 1.00 1.10 C ATOM 627 OG1 THR A 42 4.705 23.899 -4.266 1.00 15.30 O ATOM 628 CG2 THR A 42 3.969 23.047 -6.403 1.00 52.41 C ATOM 0 H THR A 42 2.267 25.100 -4.467 1.00 73.54 H new ATOM 0 HA THR A 42 1.854 22.200 -4.830 1.00 45.04 H new ATOM 0 HB THR A 42 4.271 21.908 -4.622 1.00 1.10 H new ATOM 0 HG1 THR A 42 5.629 23.818 -4.583 1.00 15.30 H new ATOM 0 HG21 THR A 42 5.006 22.962 -6.727 1.00 52.41 H new ATOM 0 HG22 THR A 42 3.376 22.264 -6.876 1.00 52.41 H new ATOM 0 HG23 THR A 42 3.577 24.023 -6.691 1.00 52.41 H new ATOM 636 N LYS A 43 2.021 21.729 -2.384 1.00 53.21 N ATOM 637 CA LYS A 43 1.958 21.488 -0.948 1.00 62.12 C ATOM 638 C LYS A 43 3.357 21.326 -0.361 1.00 0.51 C ATOM 639 O LYS A 43 4.096 20.416 -0.736 1.00 42.43 O ATOM 640 CB LYS A 43 1.124 20.238 -0.656 1.00 42.01 C ATOM 641 CG LYS A 43 1.659 18.981 -1.320 1.00 13.53 C ATOM 642 CD LYS A 43 0.552 17.972 -1.579 1.00 24.00 C ATOM 643 CE LYS A 43 1.025 16.847 -2.485 1.00 21.13 C ATOM 644 NZ LYS A 43 0.951 17.224 -3.924 1.00 63.23 N1+ ATOM 0 H LYS A 43 1.736 20.935 -2.957 1.00 53.21 H new ATOM 0 HA LYS A 43 1.485 22.351 -0.481 1.00 62.12 H new ATOM 0 HB2 LYS A 43 1.085 20.081 0.422 1.00 42.01 H new ATOM 0 HB3 LYS A 43 0.101 20.408 -0.990 1.00 42.01 H new ATOM 0 HG2 LYS A 43 2.141 19.243 -2.262 1.00 13.53 H new ATOM 0 HG3 LYS A 43 2.422 18.530 -0.686 1.00 13.53 H new ATOM 0 HD2 LYS A 43 0.207 17.557 -0.632 1.00 24.00 H new ATOM 0 HD3 LYS A 43 -0.300 18.475 -2.036 1.00 24.00 H new ATOM 0 HE2 LYS A 43 2.052 16.584 -2.231 1.00 21.13 H new ATOM 0 HE3 LYS A 43 0.416 15.960 -2.310 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 1.282 16.430 -4.508 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 -0.033 17.451 -4.173 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 1.552 18.055 -4.097 1.00 63.23 H new ATOM 658 N ILE A 44 3.712 22.214 0.562 1.00 50.11 N ATOM 659 CA ILE A 44 5.020 22.168 1.202 1.00 75.21 C ATOM 660 C ILE A 44 5.109 21.009 2.188 1.00 20.24 C ATOM 661 O ILE A 44 4.227 20.802 3.021 1.00 14.21 O ATOM 662 CB ILE A 44 5.332 23.482 1.942 1.00 5.22 C ATOM 663 CG1 ILE A 44 5.812 24.547 0.953 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.376 23.247 3.023 1.00 1.53 C ATOM 665 CD1 ILE A 44 5.287 25.933 1.257 1.00 74.32 C ATOM 0 H ILE A 44 3.112 22.974 0.883 1.00 50.11 H new ATOM 0 HA ILE A 44 5.754 22.025 0.409 1.00 75.21 H new ATOM 0 HB ILE A 44 4.419 23.839 2.418 1.00 5.22 H new ATOM 0 HG12 ILE A 44 6.902 24.571 0.957 1.00 22.10 H new ATOM 0 HG13 ILE A 44 5.503 24.263 -0.053 1.00 22.10 H new ATOM 0 HG21 ILE A 44 6.585 24.185 3.537 1.00 1.53 H new ATOM 0 HG22 ILE A 44 6.000 22.517 3.740 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.292 22.870 2.568 1.00 1.53 H new ATOM 0 HD11 ILE A 44 5.667 26.637 0.516 1.00 74.32 H new ATOM 0 HD12 ILE A 44 4.198 25.925 1.224 1.00 74.32 H new ATOM 0 HD13 ILE A 44 5.618 26.238 2.250 1.00 74.32 H new ATOM 677 N PRO A 45 6.201 20.235 2.096 1.00 42.30 N ATOM 678 CA PRO A 45 6.432 19.085 2.975 1.00 74.53 C ATOM 679 C PRO A 45 6.731 19.503 4.411 1.00 40.33 C ATOM 680 O PRO A 45 7.573 20.369 4.655 1.00 40.12 O ATOM 681 CB PRO A 45 7.653 18.403 2.352 1.00 11.42 C ATOM 682 CG PRO A 45 8.364 19.491 1.622 1.00 55.22 C ATOM 683 CD PRO A 45 7.293 20.424 1.127 1.00 3.34 C ATOM 0 HA PRO A 45 5.555 18.442 3.043 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.290 17.957 3.116 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.356 17.601 1.676 1.00 11.42 H new ATOM 0 HG2 PRO A 45 9.062 20.011 2.279 1.00 55.22 H new ATOM 0 HG3 PRO A 45 8.946 19.089 0.793 1.00 55.22 H new ATOM 0 HD2 PRO A 45 7.638 21.458 1.107 1.00 3.34 H new ATOM 0 HD3 PRO A 45 6.979 20.174 0.114 1.00 3.34 H new ATOM 691 N LEU A 46 6.036 18.884 5.358 1.00 54.51 N ATOM 692 CA LEU A 46 6.227 19.190 6.771 1.00 11.22 C ATOM 693 C LEU A 46 7.466 18.489 7.319 1.00 63.13 C ATOM 694 O LEU A 46 7.495 17.264 7.440 1.00 34.03 O ATOM 695 CB LEU A 46 4.994 18.774 7.575 1.00 1.32 C ATOM 696 CG LEU A 46 4.247 19.901 8.291 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.571 20.818 7.283 1.00 13.04 C ATOM 698 CD2 LEU A 46 3.225 19.329 9.264 1.00 1.43 C ATOM 0 H LEU A 46 5.335 18.167 5.173 1.00 54.51 H new ATOM 0 HA LEU A 46 6.370 20.266 6.867 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.298 18.274 6.902 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.301 18.039 8.319 1.00 1.32 H new ATOM 0 HG LEU A 46 4.970 20.488 8.857 1.00 64.55 H new ATOM 0 HD11 LEU A 46 3.045 21.613 7.811 1.00 13.04 H new ATOM 0 HD12 LEU A 46 4.324 21.254 6.626 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.860 20.244 6.689 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.703 20.145 9.764 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.506 18.718 8.719 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.734 18.714 10.006 1.00 1.43 H new ATOM 710 N ILE A 47 8.485 19.273 7.651 1.00 41.44 N ATOM 711 CA ILE A 47 9.725 18.728 8.190 1.00 1.41 C ATOM 712 C ILE A 47 9.459 17.873 9.424 1.00 65.02 C ATOM 713 O ILE A 47 9.035 18.378 10.464 1.00 61.11 O ATOM 714 CB ILE A 47 10.720 19.844 8.558 1.00 11.35 C ATOM 715 CG1 ILE A 47 10.956 20.761 7.356 1.00 2.10 C ATOM 716 CG2 ILE A 47 12.032 19.247 9.041 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.489 20.038 6.140 1.00 52.21 C ATOM 0 H ILE A 47 8.477 20.289 7.556 1.00 41.44 H new ATOM 0 HA ILE A 47 10.162 18.108 7.407 1.00 1.41 H new ATOM 0 HB ILE A 47 10.295 20.437 9.367 1.00 11.35 H new ATOM 0 HG12 ILE A 47 10.019 21.252 7.095 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.659 21.545 7.640 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.724 20.049 9.297 1.00 15.21 H new ATOM 0 HG22 ILE A 47 11.849 18.631 9.921 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.465 18.633 8.251 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.632 20.750 5.327 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.442 19.569 6.384 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.777 19.273 5.831 1.00 52.21 H new ATOM 729 N LYS A 48 9.711 16.574 9.304 1.00 55.44 N ATOM 730 CA LYS A 48 9.503 15.647 10.410 1.00 2.01 C ATOM 731 C LYS A 48 10.554 15.851 11.496 1.00 4.04 C ATOM 732 O LYS A 48 11.754 15.803 11.229 1.00 74.51 O ATOM 733 CB LYS A 48 9.547 14.203 9.907 1.00 32.12 C ATOM 734 CG LYS A 48 9.129 13.182 10.952 1.00 21.33 C ATOM 735 CD LYS A 48 8.742 11.858 10.314 1.00 65.24 C ATOM 736 CE LYS A 48 9.899 10.872 10.330 1.00 55.25 C ATOM 737 NZ LYS A 48 10.335 10.549 11.717 1.00 34.55 N1+ ATOM 0 H LYS A 48 10.060 16.139 8.450 1.00 55.44 H new ATOM 0 HA LYS A 48 8.521 15.846 10.838 1.00 2.01 H new ATOM 0 HB2 LYS A 48 8.895 14.110 9.039 1.00 32.12 H new ATOM 0 HB3 LYS A 48 10.559 13.974 9.572 1.00 32.12 H new ATOM 0 HG2 LYS A 48 9.947 13.023 11.655 1.00 21.33 H new ATOM 0 HG3 LYS A 48 8.287 13.570 11.525 1.00 21.33 H new ATOM 0 HD2 LYS A 48 7.892 11.431 10.846 1.00 65.24 H new ATOM 0 HD3 LYS A 48 8.422 12.028 9.286 1.00 65.24 H new ATOM 0 HE2 LYS A 48 9.602 9.955 9.820 1.00 55.25 H new ATOM 0 HE3 LYS A 48 10.739 11.288 9.773 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 10.731 9.588 11.741 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 11.060 11.230 12.020 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 9.519 10.604 12.359 1.00 34.55 H new ATOM 751 N SER A 49 10.094 16.077 12.723 1.00 14.13 N ATOM 752 CA SER A 49 10.995 16.290 13.849 1.00 33.35 C ATOM 753 C SER A 49 11.090 15.037 14.714 1.00 3.20 C ATOM 754 O SER A 49 10.506 14.001 14.393 1.00 64.42 O ATOM 755 CB SER A 49 10.517 17.472 14.695 1.00 31.23 C ATOM 756 OG SER A 49 9.973 18.496 13.880 1.00 51.25 O ATOM 0 H SER A 49 9.103 16.117 12.962 1.00 14.13 H new ATOM 0 HA SER A 49 11.986 16.512 13.453 1.00 33.35 H new ATOM 0 HB2 SER A 49 9.766 17.133 15.408 1.00 31.23 H new ATOM 0 HB3 SER A 49 11.350 17.869 15.275 1.00 31.23 H new ATOM 0 HG SER A 49 9.077 18.235 13.582 1.00 51.25 H new ATOM 762 N HIS A 50 11.829 15.139 15.814 1.00 0.54 N ATOM 763 CA HIS A 50 12.002 14.015 16.726 1.00 22.21 C ATOM 764 C HIS A 50 10.729 13.769 17.532 1.00 65.22 C ATOM 765 O HIS A 50 10.517 12.677 18.058 1.00 14.41 O ATOM 766 CB HIS A 50 13.176 14.272 17.672 1.00 63.12 C ATOM 767 CG HIS A 50 13.686 13.035 18.344 1.00 21.12 C ATOM 768 ND1 HIS A 50 14.300 13.048 19.579 1.00 33.13 N ATOM 769 CD2 HIS A 50 13.670 11.741 17.948 1.00 30.03 C ATOM 770 CE1 HIS A 50 14.640 11.816 19.913 1.00 63.42 C ATOM 771 NE2 HIS A 50 14.269 11.004 18.940 1.00 44.14 N ATOM 0 H HIS A 50 12.318 15.989 16.095 1.00 0.54 H new ATOM 0 HA HIS A 50 12.213 13.126 16.131 1.00 22.21 H new ATOM 0 HB2 HIS A 50 13.989 14.733 17.111 1.00 63.12 H new ATOM 0 HB3 HIS A 50 12.868 14.988 18.434 1.00 63.12 H new ATOM 0 HD2 HIS A 50 13.262 11.359 17.024 1.00 30.03 H new ATOM 0 HE1 HIS A 50 15.137 11.523 20.826 1.00 63.42 H new ATOM 0 HE2 HIS A 50 14.405 9.993 18.927 1.00 44.14 H new ATOM 779 N ASN A 51 9.887 14.793 17.624 1.00 43.20 N ATOM 780 CA ASN A 51 8.636 14.688 18.367 1.00 41.32 C ATOM 781 C ASN A 51 7.448 14.570 17.417 1.00 42.34 C ATOM 782 O ASN A 51 6.654 13.634 17.512 1.00 61.52 O ATOM 783 CB ASN A 51 8.455 15.905 19.277 1.00 24.42 C ATOM 784 CG ASN A 51 7.020 16.076 19.736 1.00 75.52 C ATOM 785 OD1 ASN A 51 6.478 17.181 19.713 1.00 63.21 O ATOM 786 ND2 ASN A 51 6.400 14.980 20.157 1.00 63.41 N ATOM 0 H ASN A 51 10.048 15.704 17.194 1.00 43.20 H new ATOM 0 HA ASN A 51 8.681 13.788 18.980 1.00 41.32 H new ATOM 0 HB2 ASN A 51 9.102 15.803 20.148 1.00 24.42 H new ATOM 0 HB3 ASN A 51 8.773 16.802 18.746 1.00 24.42 H new ATOM 0 HD21 ASN A 51 5.434 15.033 20.479 1.00 63.41 H new ATOM 0 HD22 ASN A 51 6.890 14.085 20.158 1.00 63.41 H new ATOM 793 N ASP A 52 7.332 15.525 16.502 1.00 25.42 N ATOM 794 CA ASP A 52 6.242 15.528 15.533 1.00 63.14 C ATOM 795 C ASP A 52 6.637 16.292 14.273 1.00 70.31 C ATOM 796 O ASP A 52 7.782 16.720 14.127 1.00 74.35 O ATOM 797 CB ASP A 52 4.987 16.149 16.147 1.00 51.42 C ATOM 798 CG ASP A 52 4.458 15.345 17.319 1.00 61.33 C ATOM 799 OD1 ASP A 52 4.085 14.171 17.113 1.00 71.33 O1- ATOM 800 OD2 ASP A 52 4.416 15.890 18.442 1.00 34.01 O ATOM 0 H ASP A 52 7.980 16.308 16.410 1.00 25.42 H new ATOM 0 HA ASP A 52 6.030 14.495 15.259 1.00 63.14 H new ATOM 0 HB2 ASP A 52 5.211 17.163 16.477 1.00 51.42 H new ATOM 0 HB3 ASP A 52 4.213 16.226 15.384 1.00 51.42 H new ATOM 805 N PHE A 53 5.682 16.459 13.364 1.00 51.12 N ATOM 806 CA PHE A 53 5.930 17.169 12.115 1.00 12.33 C ATOM 807 C PHE A 53 5.838 18.679 12.320 1.00 22.10 C ATOM 808 O PHE A 53 4.939 19.170 13.002 1.00 32.20 O ATOM 809 CB PHE A 53 4.931 16.727 11.045 1.00 64.40 C ATOM 810 CG PHE A 53 5.104 15.297 10.616 1.00 61.34 C ATOM 811 CD1 PHE A 53 6.109 14.943 9.731 1.00 54.52 C ATOM 812 CD2 PHE A 53 4.262 14.310 11.098 1.00 54.43 C ATOM 813 CE1 PHE A 53 6.273 13.628 9.336 1.00 21.11 C ATOM 814 CE2 PHE A 53 4.419 12.993 10.706 1.00 14.33 C ATOM 815 CZ PHE A 53 5.425 12.653 9.823 1.00 53.35 C ATOM 0 H PHE A 53 4.729 16.112 13.469 1.00 51.12 H new ATOM 0 HA PHE A 53 6.939 16.926 11.782 1.00 12.33 H new ATOM 0 HB2 PHE A 53 3.919 16.864 11.426 1.00 64.40 H new ATOM 0 HB3 PHE A 53 5.034 17.374 10.174 1.00 64.40 H new ATOM 0 HD1 PHE A 53 6.772 15.703 9.345 1.00 54.52 H new ATOM 0 HD2 PHE A 53 3.473 14.571 11.788 1.00 54.43 H new ATOM 0 HE1 PHE A 53 7.063 13.364 8.648 1.00 21.11 H new ATOM 0 HE2 PHE A 53 3.756 12.232 11.090 1.00 14.33 H new ATOM 0 HZ PHE A 53 5.548 11.626 9.514 1.00 53.35 H new ATOM 825 N VAL A 54 6.775 19.410 11.724 1.00 33.42 N ATOM 826 CA VAL A 54 6.801 20.863 11.840 1.00 40.41 C ATOM 827 C VAL A 54 7.190 21.512 10.517 1.00 3.45 C ATOM 828 O VAL A 54 8.003 20.976 9.766 1.00 74.24 O ATOM 829 CB VAL A 54 7.785 21.321 12.934 1.00 62.34 C ATOM 830 CG1 VAL A 54 7.452 20.659 14.263 1.00 24.21 C ATOM 831 CG2 VAL A 54 9.217 21.019 12.522 1.00 4.44 C ATOM 0 H VAL A 54 7.526 19.019 11.156 1.00 33.42 H new ATOM 0 HA VAL A 54 5.794 21.178 12.113 1.00 40.41 H new ATOM 0 HB VAL A 54 7.687 22.399 13.059 1.00 62.34 H new ATOM 0 HG11 VAL A 54 8.157 20.994 15.023 1.00 24.21 H new ATOM 0 HG12 VAL A 54 6.440 20.931 14.562 1.00 24.21 H new ATOM 0 HG13 VAL A 54 7.520 19.576 14.157 1.00 24.21 H new ATOM 0 HG21 VAL A 54 9.898 21.349 13.306 1.00 4.44 H new ATOM 0 HG22 VAL A 54 9.333 19.946 12.368 1.00 4.44 H new ATOM 0 HG23 VAL A 54 9.448 21.545 11.596 1.00 4.44 H new ATOM 841 N ALA A 55 6.603 22.673 10.239 1.00 33.42 N ATOM 842 CA ALA A 55 6.890 23.397 9.008 1.00 64.34 C ATOM 843 C ALA A 55 6.930 24.902 9.254 1.00 43.12 C ATOM 844 O ALA A 55 6.081 25.449 9.958 1.00 20.33 O ATOM 845 CB ALA A 55 5.854 23.062 7.946 1.00 75.11 C ATOM 0 H ALA A 55 5.927 23.131 10.850 1.00 33.42 H new ATOM 0 HA ALA A 55 7.873 23.086 8.653 1.00 64.34 H new ATOM 0 HB1 ALA A 55 6.080 23.610 7.031 1.00 75.11 H new ATOM 0 HB2 ALA A 55 5.875 21.991 7.742 1.00 75.11 H new ATOM 0 HB3 ALA A 55 4.863 23.344 8.302 1.00 75.11 H new ATOM 851 N ILE A 56 7.923 25.565 8.671 1.00 4.32 N ATOM 852 CA ILE A 56 8.074 27.007 8.827 1.00 62.15 C ATOM 853 C ILE A 56 7.734 27.738 7.533 1.00 1.24 C ATOM 854 O ILE A 56 8.416 27.581 6.520 1.00 41.11 O ATOM 855 CB ILE A 56 9.506 27.380 9.254 1.00 74.20 C ATOM 856 CG1 ILE A 56 9.884 26.650 10.544 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.629 28.885 9.434 1.00 20.32 C ATOM 858 CD1 ILE A 56 10.514 25.295 10.309 1.00 22.53 C ATOM 0 H ILE A 56 8.635 25.127 8.086 1.00 4.32 H new ATOM 0 HA ILE A 56 7.379 27.315 9.608 1.00 62.15 H new ATOM 0 HB ILE A 56 10.196 27.070 8.469 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.577 27.270 11.113 1.00 12.24 H new ATOM 0 HG13 ILE A 56 8.991 26.525 11.156 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.647 29.133 9.736 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.398 29.384 8.493 1.00 20.32 H new ATOM 0 HG23 ILE A 56 8.931 29.218 10.202 1.00 20.32 H new ATOM 0 HD11 ILE A 56 10.756 24.835 11.267 1.00 22.53 H new ATOM 0 HD12 ILE A 56 9.815 24.658 9.767 1.00 22.53 H new ATOM 0 HD13 ILE A 56 11.425 25.414 9.723 1.00 22.53 H new ATOM 870 N LEU A 57 6.676 28.540 7.575 1.00 53.34 N ATOM 871 CA LEU A 57 6.244 29.299 6.405 1.00 41.32 C ATOM 872 C LEU A 57 6.736 30.741 6.480 1.00 4.44 C ATOM 873 O LEU A 57 7.280 31.169 7.498 1.00 25.01 O ATOM 874 CB LEU A 57 4.719 29.274 6.290 1.00 22.14 C ATOM 875 CG LEU A 57 4.073 27.889 6.237 1.00 14.52 C ATOM 876 CD1 LEU A 57 2.591 27.978 6.563 1.00 62.22 C ATOM 877 CD2 LEU A 57 4.283 27.254 4.869 1.00 54.43 C ATOM 0 H LEU A 57 6.101 28.682 8.406 1.00 53.34 H new ATOM 0 HA LEU A 57 6.676 28.832 5.520 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.302 29.815 7.139 1.00 22.14 H new ATOM 0 HB3 LEU A 57 4.433 29.821 5.391 1.00 22.14 H new ATOM 0 HG LEU A 57 4.551 27.258 6.986 1.00 14.52 H new ATOM 0 HD11 LEU A 57 2.149 26.983 6.520 1.00 62.22 H new ATOM 0 HD12 LEU A 57 2.463 28.389 7.564 1.00 62.22 H new ATOM 0 HD13 LEU A 57 2.097 28.626 5.839 1.00 62.22 H new ATOM 0 HD21 LEU A 57 3.817 26.269 4.850 1.00 54.43 H new ATOM 0 HD22 LEU A 57 3.832 27.884 4.102 1.00 54.43 H new ATOM 0 HD23 LEU A 57 5.351 27.154 4.674 1.00 54.43 H new ATOM 889 N ASP A 58 6.537 31.486 5.398 1.00 22.22 N ATOM 890 CA ASP A 58 6.957 32.881 5.343 1.00 23.10 C ATOM 891 C ASP A 58 5.793 33.784 4.949 1.00 53.11 C ATOM 892 O ASP A 58 5.384 33.816 3.787 1.00 71.11 O ATOM 893 CB ASP A 58 8.109 33.050 4.351 1.00 60.34 C ATOM 894 CG ASP A 58 9.428 32.544 4.902 1.00 4.33 C ATOM 895 OD1 ASP A 58 9.777 32.919 6.041 1.00 31.41 O ATOM 896 OD2 ASP A 58 10.109 31.774 4.195 1.00 64.40 O1- ATOM 0 H ASP A 58 6.088 31.147 4.547 1.00 22.22 H new ATOM 0 HA ASP A 58 7.298 33.172 6.337 1.00 23.10 H new ATOM 0 HB2 ASP A 58 7.874 32.515 3.431 1.00 60.34 H new ATOM 0 HB3 ASP A 58 8.208 34.104 4.090 1.00 60.34 H new ATOM 901 N LEU A 59 5.260 34.514 5.923 1.00 12.41 N ATOM 902 CA LEU A 59 4.142 35.417 5.678 1.00 61.11 C ATOM 903 C LEU A 59 4.428 36.805 6.243 1.00 53.10 C ATOM 904 O LEU A 59 5.212 36.972 7.176 1.00 43.12 O ATOM 905 CB LEU A 59 2.862 34.855 6.299 1.00 61.24 C ATOM 906 CG LEU A 59 2.741 33.331 6.325 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.432 32.909 6.975 1.00 32.21 C ATOM 908 CD2 LEU A 59 2.847 32.763 4.917 1.00 1.12 C ATOM 0 H LEU A 59 5.585 34.498 6.890 1.00 12.41 H new ATOM 0 HA LEU A 59 4.008 35.505 4.600 1.00 61.11 H new ATOM 0 HB2 LEU A 59 2.787 35.223 7.322 1.00 61.24 H new ATOM 0 HB3 LEU A 59 2.010 35.258 5.752 1.00 61.24 H new ATOM 0 HG LEU A 59 3.563 32.931 6.919 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.364 31.821 6.984 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.397 33.283 7.998 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.596 33.320 6.409 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.759 31.677 4.955 1.00 1.12 H new ATOM 0 HD22 LEU A 59 2.047 33.171 4.299 1.00 1.12 H new ATOM 0 HD23 LEU A 59 3.811 33.034 4.487 1.00 1.12 H new ATOM 920 N PRO A 60 3.776 37.824 5.665 1.00 72.34 N ATOM 921 CA PRO A 60 3.942 39.216 6.097 1.00 43.15 C ATOM 922 C PRO A 60 3.331 39.473 7.470 1.00 50.24 C ATOM 923 O PRO A 60 4.015 39.388 8.489 1.00 44.12 O ATOM 924 CB PRO A 60 3.197 40.011 5.022 1.00 2.43 C ATOM 925 CG PRO A 60 2.191 39.060 4.476 1.00 40.55 C ATOM 926 CD PRO A 60 2.826 37.699 4.548 1.00 50.31 C ATOM 0 HA PRO A 60 4.992 39.490 6.198 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.718 40.895 5.444 1.00 2.43 H new ATOM 0 HB3 PRO A 60 3.877 40.358 4.244 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.269 39.092 5.056 1.00 40.55 H new ATOM 0 HG3 PRO A 60 1.930 39.315 3.449 1.00 40.55 H new ATOM 0 HD2 PRO A 60 2.087 36.920 4.735 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.332 37.442 3.617 1.00 50.31 H new ATOM 934 N GLU A 61 2.040 39.789 7.489 1.00 62.44 N ATOM 935 CA GLU A 61 1.338 40.059 8.739 1.00 50.50 C ATOM 936 C GLU A 61 -0.145 40.316 8.485 1.00 12.05 C ATOM 937 O GLU A 61 -0.510 41.233 7.751 1.00 32.42 O ATOM 938 CB GLU A 61 1.961 41.263 9.448 1.00 73.34 C ATOM 939 CG GLU A 61 1.884 41.183 10.964 1.00 52.41 C ATOM 940 CD GLU A 61 1.746 42.545 11.614 1.00 72.55 C ATOM 941 OE1 GLU A 61 2.184 43.542 11.001 1.00 43.41 O ATOM 942 OE2 GLU A 61 1.201 42.617 12.736 1.00 35.02 O1- ATOM 0 H GLU A 61 1.459 39.864 6.654 1.00 62.44 H new ATOM 0 HA GLU A 61 1.433 39.181 9.377 1.00 50.50 H new ATOM 0 HB2 GLU A 61 3.006 41.349 9.150 1.00 73.34 H new ATOM 0 HB3 GLU A 61 1.458 42.171 9.114 1.00 73.34 H new ATOM 0 HG2 GLU A 61 1.035 40.561 11.249 1.00 52.41 H new ATOM 0 HG3 GLU A 61 2.780 40.692 11.344 1.00 52.41 H new ATOM 949 N GLY A 62 -0.994 39.497 9.098 1.00 54.52 N ATOM 950 CA GLY A 62 -2.427 39.650 8.926 1.00 52.00 C ATOM 951 C GLY A 62 -3.174 38.340 9.084 1.00 61.55 C ATOM 952 O GLY A 62 -3.231 37.780 10.179 1.00 51.12 O ATOM 0 H GLY A 62 -0.715 38.730 9.710 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.802 40.369 9.654 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.629 40.063 7.938 1.00 52.00 H new ATOM 956 N GLU A 63 -3.748 37.852 7.989 1.00 53.44 N ATOM 957 CA GLU A 63 -4.497 36.601 8.013 1.00 52.42 C ATOM 958 C GLU A 63 -4.263 35.803 6.733 1.00 71.45 C ATOM 959 O GLU A 63 -4.302 36.380 5.647 1.00 35.41 O ATOM 960 CB GLU A 63 -5.990 36.878 8.189 1.00 13.45 C ATOM 961 CG GLU A 63 -6.861 35.642 8.040 1.00 1.11 C ATOM 962 CD GLU A 63 -8.343 35.959 8.102 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.762 36.656 9.050 1.00 62.20 O1- ATOM 964 OE2 GLU A 63 -9.083 35.512 7.201 1.00 35.44 O ATOM 0 H GLU A 63 -3.709 38.303 7.075 1.00 53.44 H new ATOM 0 HA GLU A 63 -4.143 36.011 8.858 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -6.156 37.312 9.175 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.302 37.622 7.456 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -6.637 35.157 7.090 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -6.613 34.930 8.827 1.00 1.11 H new ATOM 971 N HIS A 64 -4.028 34.509 6.887 1.00 3.13 N ATOM 972 CA HIS A 64 -3.791 33.649 5.740 1.00 20.42 C ATOM 973 C HIS A 64 -4.436 32.283 5.979 1.00 42.53 C ATOM 974 O HIS A 64 -4.527 31.794 7.105 1.00 73.42 O ATOM 975 CB HIS A 64 -2.296 33.552 5.432 1.00 3.20 C ATOM 976 CG HIS A 64 -1.547 34.853 5.608 1.00 31.31 C ATOM 977 ND1 HIS A 64 -1.156 35.511 6.737 1.00 32.22 N flip ATOM 978 CD2 HIS A 64 -1.122 35.623 4.539 1.00 2.30 C flip ATOM 979 CE1 HIS A 64 -0.524 36.621 6.378 1.00 4.25 C flip ATOM 980 NE2 HIS A 64 -0.502 36.692 5.016 1.00 51.03 N flip ATOM 0 H HIS A 64 -3.997 34.034 7.789 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.258 34.082 4.855 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.850 32.797 6.080 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.168 33.207 4.406 1.00 3.20 H new ATOM 0 HD2 HIS A 64 -1.271 35.392 3.495 1.00 2.30 H new ATOM 0 HE1 HIS A 64 -0.097 37.348 7.053 1.00 4.25 H new ATOM 0 HE2 HIS A 64 -0.082 37.438 4.462 1.00 51.03 H new ATOM 988 N GLN A 65 -4.886 31.674 4.887 1.00 53.30 N ATOM 989 CA GLN A 65 -5.526 30.366 4.950 1.00 30.02 C ATOM 990 C GLN A 65 -4.514 29.251 4.708 1.00 12.33 C ATOM 991 O GLN A 65 -3.456 29.477 4.119 1.00 60.12 O ATOM 992 CB GLN A 65 -6.656 30.277 3.922 1.00 12.55 C ATOM 993 CG GLN A 65 -7.956 30.909 4.391 1.00 10.33 C ATOM 994 CD GLN A 65 -8.604 30.140 5.526 1.00 53.50 C ATOM 995 OE1 GLN A 65 -8.972 30.715 6.550 1.00 5.54 O ATOM 996 NE2 GLN A 65 -8.746 28.832 5.349 1.00 52.31 N ATOM 0 H GLN A 65 -4.819 32.066 3.948 1.00 53.30 H new ATOM 0 HA GLN A 65 -5.943 30.242 5.950 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.337 30.764 3.000 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.837 29.229 3.683 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.762 31.932 4.715 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.651 30.966 3.553 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -8.426 28.397 4.484 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -9.175 28.262 6.078 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.844 28.049 5.166 1.00 44.22 N ATOM 1006 CA TYR A 66 -3.963 26.900 5.002 1.00 44.05 C ATOM 1007 C TYR A 66 -4.703 25.598 5.294 1.00 74.13 C ATOM 1008 O TYR A 66 -5.798 25.605 5.857 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.749 27.026 5.923 1.00 51.25 C ATOM 1010 CG TYR A 66 -3.039 26.661 7.361 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.800 27.494 8.170 1.00 60.42 C ATOM 1012 CD2 TYR A 66 -2.552 25.480 7.910 1.00 33.23 C ATOM 1013 CE1 TYR A 66 -4.068 27.165 9.484 1.00 74.14 C ATOM 1014 CE2 TYR A 66 -2.816 25.142 9.223 1.00 54.24 C ATOM 1015 CZ TYR A 66 -3.574 25.987 10.006 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.839 25.654 11.315 1.00 4.23 O ATOM 0 H TYR A 66 -5.716 27.845 5.654 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.625 26.880 3.966 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -1.951 26.385 5.548 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.379 28.051 5.885 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.189 28.416 7.764 1.00 60.42 H new ATOM 0 HD2 TYR A 66 -1.958 24.816 7.300 1.00 33.23 H new ATOM 0 HE1 TYR A 66 -4.661 27.826 10.099 1.00 74.14 H new ATOM 0 HE2 TYR A 66 -2.431 24.221 9.634 1.00 54.24 H new ATOM 0 HH TYR A 66 -3.420 24.793 11.525 1.00 4.23 H new ATOM 1026 N LYS A 67 -4.098 24.480 4.906 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.697 23.169 5.126 1.00 53.24 C ATOM 1028 C LYS A 67 -3.620 22.102 5.296 1.00 15.33 C ATOM 1029 O LYS A 67 -2.490 22.267 4.838 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.615 22.803 3.958 1.00 51.31 C ATOM 1031 CG LYS A 67 -6.505 21.605 4.238 1.00 50.42 C ATOM 1032 CD LYS A 67 -7.402 21.845 5.441 1.00 54.14 C ATOM 1033 CE LYS A 67 -8.555 20.854 5.485 1.00 21.22 C ATOM 1034 NZ LYS A 67 -8.075 19.445 5.526 1.00 73.50 N1+ ATOM 0 H LYS A 67 -3.192 24.456 4.437 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.286 23.214 6.042 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -6.241 23.662 3.716 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -5.005 22.595 3.079 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -7.118 21.394 3.362 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -5.887 20.725 4.414 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -6.815 21.762 6.356 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -7.796 22.861 5.406 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -9.172 21.053 6.362 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -9.189 20.996 4.610 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -8.888 18.804 5.624 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -7.565 19.226 4.646 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -7.436 19.319 6.337 1.00 73.50 H new ATOM 1048 N PHE A 68 -3.980 21.005 5.955 1.00 0.43 N ATOM 1049 CA PHE A 68 -3.045 19.910 6.183 1.00 43.24 C ATOM 1050 C PHE A 68 -3.287 18.773 5.195 1.00 51.11 C ATOM 1051 O PHE A 68 -4.417 18.539 4.765 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.176 19.390 7.617 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.520 20.276 8.637 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -1.150 20.481 8.617 1.00 41.10 C ATOM 1055 CD2 PHE A 68 -3.273 20.903 9.617 1.00 14.15 C ATOM 1056 CE1 PHE A 68 -0.544 21.295 9.555 1.00 25.24 C ATOM 1057 CE2 PHE A 68 -2.673 21.718 10.558 1.00 73.42 C ATOM 1058 CZ PHE A 68 -1.306 21.915 10.526 1.00 11.45 C ATOM 0 H PHE A 68 -4.912 20.851 6.340 1.00 0.43 H new ATOM 0 HA PHE A 68 -2.035 20.291 6.032 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.233 19.287 7.863 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.737 18.394 7.676 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.549 19.999 7.860 1.00 41.10 H new ATOM 0 HD2 PHE A 68 -4.342 20.753 9.646 1.00 14.15 H new ATOM 0 HE1 PHE A 68 0.525 21.446 9.529 1.00 25.24 H new ATOM 0 HE2 PHE A 68 -3.272 22.200 11.317 1.00 73.42 H new ATOM 0 HZ PHE A 68 -0.834 22.553 11.259 1.00 11.45 H new ATOM 1068 N PHE A 69 -2.217 18.070 4.838 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.311 16.959 3.899 1.00 72.31 C ATOM 1070 C PHE A 69 -1.576 15.732 4.433 1.00 34.23 C ATOM 1071 O PHE A 69 -0.346 15.677 4.422 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.735 17.361 2.540 1.00 74.52 C ATOM 1073 CG PHE A 69 -2.445 16.731 1.377 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -3.817 16.865 1.230 1.00 61.42 C ATOM 1075 CD2 PHE A 69 -1.743 16.004 0.429 1.00 34.50 C ATOM 1076 CE1 PHE A 69 -4.474 16.286 0.161 1.00 54.41 C ATOM 1077 CE2 PHE A 69 -2.394 15.423 -0.642 1.00 50.31 C ATOM 1078 CZ PHE A 69 -3.761 15.564 -0.776 1.00 73.11 C ATOM 0 H PHE A 69 -1.275 18.250 5.185 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.364 16.706 3.778 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -1.783 18.445 2.441 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.681 17.084 2.505 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -4.379 17.429 1.960 1.00 61.42 H new ATOM 0 HD2 PHE A 69 -0.674 15.890 0.529 1.00 34.50 H new ATOM 0 HE1 PHE A 69 -5.543 16.398 0.058 1.00 54.41 H new ATOM 0 HE2 PHE A 69 -1.834 14.859 -1.374 1.00 50.31 H new ATOM 0 HZ PHE A 69 -4.272 15.110 -1.612 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.340 14.750 4.900 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.762 13.523 5.437 1.00 12.31 C ATOM 1090 C VAL A 70 -2.278 12.299 4.688 1.00 74.44 C ATOM 1091 O VAL A 70 -3.481 12.152 4.471 1.00 2.54 O ATOM 1092 CB VAL A 70 -2.079 13.364 6.937 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -1.366 12.148 7.506 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.695 14.624 7.698 1.00 33.01 C ATOM 0 H VAL A 70 -3.359 14.780 4.918 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.682 13.597 5.306 1.00 12.31 H new ATOM 0 HB VAL A 70 -3.152 13.212 7.051 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -1.601 12.051 8.566 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.695 11.253 6.978 1.00 42.23 H new ATOM 0 HG13 VAL A 70 -0.290 12.267 7.383 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -1.925 14.495 8.755 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.628 14.810 7.579 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.257 15.472 7.305 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.359 11.423 4.296 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.720 10.209 3.572 1.00 43.14 C ATOM 1106 C ASP A 71 -2.598 10.536 2.368 1.00 50.35 C ATOM 1107 O ASP A 71 -3.532 9.800 2.050 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.447 9.234 4.499 1.00 2.43 C ATOM 1109 CG ASP A 71 -1.501 8.520 5.446 1.00 3.42 C ATOM 1110 OD1 ASP A 71 -0.400 9.054 5.699 1.00 70.50 O ATOM 1111 OD2 ASP A 71 -1.862 7.430 5.933 1.00 33.12 O1- ATOM 0 H ASP A 71 -0.359 11.531 4.467 1.00 1.00 H new ATOM 0 HA ASP A 71 -0.802 9.742 3.214 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -3.195 9.776 5.078 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -2.981 8.497 3.899 1.00 2.43 H new ATOM 1116 N GLY A 72 -2.291 11.645 1.702 1.00 50.22 N ATOM 1117 CA GLY A 72 -3.063 12.050 0.541 1.00 61.42 C ATOM 1118 C GLY A 72 -4.519 12.308 0.873 1.00 44.45 C ATOM 1119 O GLY A 72 -5.396 12.121 0.030 1.00 1.33 O ATOM 0 H GLY A 72 -1.522 12.270 1.945 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -2.625 12.953 0.115 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -3.000 11.274 -0.222 1.00 61.42 H new ATOM 1123 N GLN A 73 -4.777 12.734 2.105 1.00 51.05 N ATOM 1124 CA GLN A 73 -6.138 13.014 2.547 1.00 43.53 C ATOM 1125 C GLN A 73 -6.221 14.379 3.223 1.00 15.15 C ATOM 1126 O GLN A 73 -5.204 14.947 3.621 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.620 11.925 3.507 1.00 0.22 C ATOM 1128 CG GLN A 73 -7.350 10.785 2.817 1.00 40.22 C ATOM 1129 CD GLN A 73 -8.415 10.157 3.695 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -8.306 8.996 4.089 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -9.453 10.924 4.007 1.00 65.41 N ATOM 0 H GLN A 73 -4.062 12.893 2.815 1.00 51.05 H new ATOM 0 HA GLN A 73 -6.783 13.024 1.669 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.763 11.523 4.046 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -7.282 12.373 4.249 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -7.811 11.155 1.902 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -6.629 10.021 2.524 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -9.503 11.881 3.658 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -10.201 10.556 4.595 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.437 14.897 3.351 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.653 16.195 3.979 1.00 50.15 C ATOM 1142 C TRP A 74 -8.039 16.033 5.445 1.00 34.22 C ATOM 1143 O TRP A 74 -8.977 15.305 5.772 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.740 16.971 3.235 1.00 44.15 C ATOM 1145 CG TRP A 74 -8.455 17.138 1.773 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -8.867 16.319 0.760 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -7.696 18.186 1.161 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -8.409 16.795 -0.445 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -7.688 17.940 -0.226 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -7.022 19.308 1.649 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -7.033 18.776 -1.126 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -6.373 20.137 0.755 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -6.382 19.867 -0.621 1.00 51.10 C ATOM 0 H TRP A 74 -8.289 14.438 3.028 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.719 16.755 3.928 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.692 16.455 3.356 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.851 17.955 3.691 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -9.465 15.429 0.888 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -8.578 16.366 -1.355 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -7.009 19.524 2.707 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -7.039 18.570 -2.186 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -5.850 21.008 1.122 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -5.865 20.534 -1.295 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.312 16.715 6.324 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.581 16.647 7.756 1.00 44.01 C ATOM 1166 C VAL A 75 -7.337 17.995 8.426 1.00 31.52 C ATOM 1167 O VAL A 75 -6.442 18.743 8.030 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.707 15.580 8.441 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -7.148 14.183 8.028 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -5.239 15.802 8.113 1.00 31.10 C ATOM 0 H VAL A 75 -6.532 17.321 6.070 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.630 16.374 7.868 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.832 15.671 9.520 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -6.519 13.442 8.522 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -8.187 14.029 8.319 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -7.054 14.076 6.947 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.637 15.039 8.606 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -5.094 15.739 7.035 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -4.933 16.788 8.463 1.00 31.10 H new ATOM 1180 N HIS A 76 -8.138 18.298 9.441 1.00 63.01 N ATOM 1181 CA HIS A 76 -8.008 19.556 10.168 1.00 74.30 C ATOM 1182 C HIS A 76 -7.475 19.318 11.577 1.00 62.21 C ATOM 1183 O HIS A 76 -7.556 18.206 12.103 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.357 20.273 10.235 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.312 19.662 11.214 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -10.560 19.960 12.511 1.00 13.43 N flip ATOM 1187 CD2 HIS A 76 -11.147 18.611 10.897 1.00 41.33 C flip ATOM 1188 CE1 HIS A 76 -11.531 19.093 12.950 1.00 11.05 C flip ATOM 1189 NE2 HIS A 76 -11.868 18.290 11.956 1.00 32.15 N flip ATOM 0 H HIS A 76 -8.884 17.690 9.779 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.297 20.184 9.631 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -9.192 21.316 10.504 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -9.812 20.267 9.244 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -11.203 18.126 9.933 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -11.950 19.071 13.945 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -12.567 17.548 11.999 1.00 32.15 H new ATOM 1197 N ASP A 77 -6.930 20.366 12.185 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.384 20.270 13.534 1.00 33.21 C ATOM 1199 C ASP A 77 -7.391 20.772 14.565 1.00 70.34 C ATOM 1200 O ASP A 77 -7.905 21.888 14.474 1.00 64.41 O ATOM 1201 CB ASP A 77 -5.085 21.070 13.639 1.00 62.43 C ATOM 1202 CG ASP A 77 -4.444 20.955 15.008 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -4.092 19.825 15.405 1.00 44.05 O1- ATOM 1204 OD2 ASP A 77 -4.296 21.996 15.683 1.00 41.33 O ATOM 0 H ASP A 77 -6.855 21.292 11.765 1.00 1.43 H new ATOM 0 HA ASP A 77 -6.173 19.221 13.741 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -4.384 20.720 12.882 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -5.289 22.119 13.423 1.00 62.43 H new ATOM 1209 N PRO A 78 -7.681 19.931 15.569 1.00 20.45 N ATOM 1210 CA PRO A 78 -8.628 20.269 16.635 1.00 45.12 C ATOM 1211 C PRO A 78 -8.091 21.351 17.566 1.00 52.21 C ATOM 1212 O PRO A 78 -8.858 22.028 18.252 1.00 23.20 O ATOM 1213 CB PRO A 78 -8.796 18.948 17.391 1.00 71.01 C ATOM 1214 CG PRO A 78 -7.535 18.198 17.127 1.00 2.41 C ATOM 1215 CD PRO A 78 -7.105 18.587 15.739 1.00 33.02 C ATOM 0 HA PRO A 78 -9.561 20.672 16.240 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -8.940 19.118 18.458 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -9.667 18.396 17.036 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -6.769 18.453 17.859 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -7.698 17.123 17.198 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -6.019 18.600 15.643 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.483 17.890 14.991 1.00 33.02 H new ATOM 1223 N SER A 79 -6.772 21.509 17.584 1.00 35.34 N ATOM 1224 CA SER A 79 -6.134 22.508 18.433 1.00 5.14 C ATOM 1225 C SER A 79 -6.148 23.879 17.764 1.00 2.34 C ATOM 1226 O SER A 79 -6.147 24.909 18.438 1.00 53.41 O ATOM 1227 CB SER A 79 -4.694 22.095 18.747 1.00 42.01 C ATOM 1228 OG SER A 79 -4.632 21.324 19.934 1.00 3.14 O ATOM 0 H SER A 79 -6.124 20.958 17.021 1.00 35.34 H new ATOM 0 HA SER A 79 -6.698 22.572 19.364 1.00 5.14 H new ATOM 0 HB2 SER A 79 -4.287 21.520 17.915 1.00 42.01 H new ATOM 0 HB3 SER A 79 -4.073 22.984 18.854 1.00 42.01 H new ATOM 0 HG SER A 79 -3.702 21.071 20.112 1.00 3.14 H new ATOM 1234 N GLU A 80 -6.159 23.882 16.435 1.00 34.21 N ATOM 1235 CA GLU A 80 -6.173 25.126 15.674 1.00 31.11 C ATOM 1236 C GLU A 80 -7.573 25.428 15.150 1.00 4.43 C ATOM 1237 O GLU A 80 -8.428 24.549 15.044 1.00 53.10 O ATOM 1238 CB GLU A 80 -5.185 25.047 14.508 1.00 21.12 C ATOM 1239 CG GLU A 80 -3.765 25.435 14.886 1.00 61.25 C ATOM 1240 CD GLU A 80 -3.682 26.815 15.506 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -3.510 27.795 14.751 1.00 23.05 O ATOM 1242 OE2 GLU A 80 -3.788 26.917 16.747 1.00 54.30 O1- ATOM 0 H GLU A 80 -6.158 23.037 15.863 1.00 34.21 H new ATOM 0 HA GLU A 80 -5.873 25.934 16.341 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -5.182 24.031 14.113 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.530 25.700 13.706 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -3.367 24.702 15.587 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -3.135 25.402 13.997 1.00 61.25 H new ATOM 1249 N PRO A 81 -7.815 26.704 14.813 1.00 71.34 N ATOM 1250 CA PRO A 81 -9.111 27.153 14.294 1.00 12.23 C ATOM 1251 C PRO A 81 -9.386 26.627 12.889 1.00 54.22 C ATOM 1252 O PRO A 81 -8.494 26.596 12.042 1.00 51.34 O ATOM 1253 CB PRO A 81 -8.977 28.678 14.278 1.00 53.15 C ATOM 1254 CG PRO A 81 -7.513 28.929 14.169 1.00 44.41 C ATOM 1255 CD PRO A 81 -6.844 27.806 14.913 1.00 34.31 C ATOM 0 HA PRO A 81 -9.941 26.791 14.900 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -9.517 29.114 13.437 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -9.388 29.121 15.185 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -7.197 28.949 13.126 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -7.249 29.895 14.600 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -5.887 27.540 14.464 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -6.646 28.074 15.951 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.627 26.215 12.649 1.00 52.51 N ATOM 1264 CA VAL A 82 -11.021 25.692 11.347 1.00 44.45 C ATOM 1265 C VAL A 82 -12.111 26.550 10.715 1.00 64.55 C ATOM 1266 O VAL A 82 -12.970 27.092 11.412 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.523 24.239 11.454 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.478 23.361 12.124 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.842 24.187 12.211 1.00 72.14 C ATOM 0 H VAL A 82 -11.377 26.234 13.340 1.00 52.51 H new ATOM 0 HA VAL A 82 -10.133 25.716 10.715 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.692 23.855 10.448 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.850 22.339 12.191 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.560 23.375 11.537 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -10.274 23.739 13.126 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -13.183 23.154 12.278 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.702 24.588 13.215 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.588 24.782 11.684 1.00 72.14 H new ATOM 1279 N VAL A 83 -12.070 26.671 9.393 1.00 50.41 N ATOM 1280 CA VAL A 83 -13.055 27.463 8.667 1.00 1.01 C ATOM 1281 C VAL A 83 -13.891 26.586 7.741 1.00 10.44 C ATOM 1282 O VAL A 83 -13.638 25.388 7.604 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.384 28.572 7.837 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.468 29.414 8.712 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.614 27.972 6.669 1.00 11.55 C ATOM 0 H VAL A 83 -11.365 26.230 8.802 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.704 27.921 9.414 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.162 29.221 7.435 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -11.003 30.193 8.108 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -12.050 29.874 9.511 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.694 28.780 9.145 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.146 28.770 6.093 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -10.845 27.299 7.048 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.299 27.416 6.029 1.00 11.55 H new ATOM 1295 N THR A 84 -14.889 27.190 7.103 1.00 44.21 N ATOM 1296 CA THR A 84 -15.763 26.465 6.190 1.00 74.32 C ATOM 1297 C THR A 84 -15.863 27.175 4.844 1.00 53.33 C ATOM 1298 O THR A 84 -16.401 28.278 4.753 1.00 51.12 O ATOM 1299 CB THR A 84 -17.178 26.301 6.778 1.00 3.04 C ATOM 1300 OG1 THR A 84 -17.113 26.268 8.207 1.00 23.43 O ATOM 1301 CG2 THR A 84 -17.832 25.027 6.265 1.00 25.03 C ATOM 0 H THR A 84 -15.112 28.180 7.202 1.00 44.21 H new ATOM 0 HA THR A 84 -15.321 25.479 6.045 1.00 74.32 H new ATOM 0 HB THR A 84 -17.781 27.153 6.462 1.00 3.04 H new ATOM 0 HG1 THR A 84 -18.016 26.165 8.573 1.00 23.43 H new ATOM 0 HG21 THR A 84 -18.830 24.932 6.693 1.00 25.03 H new ATOM 0 HG22 THR A 84 -17.906 25.068 5.178 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.229 24.166 6.555 1.00 25.03 H new ATOM 1309 N SER A 85 -15.343 26.534 3.802 1.00 12.31 N ATOM 1310 CA SER A 85 -15.371 27.106 2.462 1.00 62.15 C ATOM 1311 C SER A 85 -16.779 27.050 1.877 1.00 62.25 C ATOM 1312 O SER A 85 -17.664 26.394 2.425 1.00 25.40 O ATOM 1313 CB SER A 85 -14.396 26.363 1.546 1.00 73.20 C ATOM 1314 OG SER A 85 -13.067 26.811 1.747 1.00 45.01 O ATOM 0 H SER A 85 -14.897 25.618 3.861 1.00 12.31 H new ATOM 0 HA SER A 85 -15.067 28.150 2.533 1.00 62.15 H new ATOM 0 HB2 SER A 85 -14.455 25.292 1.739 1.00 73.20 H new ATOM 0 HB3 SER A 85 -14.681 26.516 0.505 1.00 73.20 H new ATOM 0 HG SER A 85 -12.463 26.320 1.152 1.00 45.01 H new ATOM 1320 N GLN A 86 -16.977 27.741 0.759 1.00 54.44 N ATOM 1321 CA GLN A 86 -18.277 27.771 0.099 1.00 2.41 C ATOM 1322 C GLN A 86 -18.651 26.389 -0.427 1.00 50.10 C ATOM 1323 O GLN A 86 -19.830 26.086 -0.620 1.00 4.23 O ATOM 1324 CB GLN A 86 -18.267 28.782 -1.049 1.00 4.33 C ATOM 1325 CG GLN A 86 -18.249 30.230 -0.585 1.00 61.13 C ATOM 1326 CD GLN A 86 -19.573 30.670 0.007 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -20.529 29.896 0.063 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -19.637 31.920 0.451 1.00 50.44 N ATOM 0 H GLN A 86 -16.254 28.288 0.291 1.00 54.44 H new ATOM 0 HA GLN A 86 -19.023 28.075 0.833 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -17.394 28.599 -1.675 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -19.146 28.620 -1.672 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -17.462 30.360 0.158 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -18.000 30.875 -1.428 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -18.820 32.527 0.385 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -20.503 32.273 0.858 1.00 50.44 H new ATOM 1337 N LEU A 87 -17.643 25.557 -0.658 1.00 53.55 N ATOM 1338 CA LEU A 87 -17.866 24.206 -1.163 1.00 32.15 C ATOM 1339 C LEU A 87 -18.347 23.281 -0.050 1.00 71.20 C ATOM 1340 O LEU A 87 -18.873 22.200 -0.310 1.00 72.13 O ATOM 1341 CB LEU A 87 -16.582 23.653 -1.783 1.00 52.11 C ATOM 1342 CG LEU A 87 -16.764 22.586 -2.862 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -15.634 22.655 -3.877 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -16.835 21.200 -2.235 1.00 21.21 C ATOM 0 H LEU A 87 -16.663 25.793 -0.504 1.00 53.55 H new ATOM 0 HA LEU A 87 -18.640 24.254 -1.929 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -16.022 24.484 -2.213 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -15.968 23.234 -0.986 1.00 52.11 H new ATOM 0 HG LEU A 87 -17.703 22.778 -3.380 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -15.781 21.888 -4.637 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -15.628 23.637 -4.349 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -14.682 22.489 -3.373 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -16.965 20.453 -3.018 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -15.912 20.999 -1.691 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -17.679 21.155 -1.547 1.00 21.21 H new ATOM 1356 N GLY A 88 -18.163 23.715 1.195 1.00 42.12 N ATOM 1357 CA GLY A 88 -18.583 22.915 2.329 1.00 24.33 C ATOM 1358 C GLY A 88 -17.462 22.058 2.882 1.00 1.42 C ATOM 1359 O GLY A 88 -17.706 21.105 3.625 1.00 3.52 O ATOM 0 H GLY A 88 -17.730 24.607 1.437 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -18.955 23.572 3.115 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -19.412 22.274 2.030 1.00 24.33 H new ATOM 1363 N THR A 89 -16.228 22.395 2.520 1.00 71.55 N ATOM 1364 CA THR A 89 -15.065 21.648 2.983 1.00 55.20 C ATOM 1365 C THR A 89 -14.366 22.372 4.127 1.00 10.24 C ATOM 1366 O THR A 89 -14.093 23.570 4.042 1.00 41.43 O ATOM 1367 CB THR A 89 -14.056 21.417 1.843 1.00 22.31 C ATOM 1368 OG1 THR A 89 -13.375 22.640 1.537 1.00 42.53 O ATOM 1369 CG2 THR A 89 -14.756 20.894 0.597 1.00 71.24 C ATOM 0 H THR A 89 -16.008 23.180 1.908 1.00 71.55 H new ATOM 0 HA THR A 89 -15.429 20.683 3.337 1.00 55.20 H new ATOM 0 HB THR A 89 -13.333 20.671 2.173 1.00 22.31 H new ATOM 0 HG1 THR A 89 -12.734 22.485 0.812 1.00 42.53 H new ATOM 0 HG21 THR A 89 -14.023 20.739 -0.194 1.00 71.24 H new ATOM 0 HG22 THR A 89 -15.248 19.949 0.826 1.00 71.24 H new ATOM 0 HG23 THR A 89 -15.499 21.619 0.266 1.00 71.24 H new ATOM 1377 N ILE A 90 -14.078 21.639 5.198 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.409 22.213 6.358 1.00 62.33 C ATOM 1379 C ILE A 90 -11.978 22.621 6.022 1.00 55.32 C ATOM 1380 O ILE A 90 -11.257 21.889 5.347 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.385 21.225 7.539 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -14.800 20.735 7.852 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.762 21.879 8.764 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.729 21.832 8.326 1.00 10.43 C ATOM 0 H ILE A 90 -14.298 20.647 5.286 1.00 15.44 H new ATOM 0 HA ILE A 90 -13.978 23.097 6.645 1.00 62.33 H new ATOM 0 HB ILE A 90 -12.776 20.365 7.261 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -15.222 20.274 6.959 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -14.747 19.960 8.616 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -12.752 21.168 9.590 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.741 22.183 8.534 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.346 22.755 9.046 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.714 21.412 8.529 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.330 22.278 9.237 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.813 22.597 7.554 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.576 23.794 6.500 1.00 75.15 N ATOM 1397 CA ASN A 91 -10.231 24.299 6.251 1.00 52.40 C ATOM 1398 C ASN A 91 -9.611 24.850 7.532 1.00 14.34 C ATOM 1399 O ASN A 91 -10.222 24.805 8.599 1.00 44.21 O ATOM 1400 CB ASN A 91 -10.263 25.389 5.177 1.00 44.32 C ATOM 1401 CG ASN A 91 -10.023 24.837 3.786 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -9.961 23.622 3.590 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -9.884 25.728 2.812 1.00 51.12 N ATOM 0 H ASN A 91 -12.162 24.412 7.061 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.618 23.469 5.899 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -11.229 25.893 5.203 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -9.506 26.140 5.403 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -9.718 25.416 1.855 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -9.943 26.725 3.020 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.393 25.371 7.417 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.691 25.931 8.566 1.00 25.44 C ATOM 1412 C ASN A 92 -7.312 27.388 8.315 1.00 42.41 C ATOM 1413 O ASN A 92 -6.945 27.761 7.200 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.435 25.111 8.871 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.685 23.618 8.785 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -5.884 22.876 8.216 1.00 14.31 O ATOM 1417 ND2 ASN A 92 -7.801 23.171 9.349 1.00 64.12 N ATOM 0 H ASN A 92 -7.873 25.417 6.541 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.361 25.891 9.425 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.646 25.386 8.171 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -6.076 25.360 9.870 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -8.023 22.176 9.321 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -8.436 23.823 9.810 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.404 28.205 9.358 1.00 31.22 N ATOM 1425 CA LEU A 93 -7.070 29.621 9.251 1.00 13.40 C ATOM 1426 C LEU A 93 -5.912 29.979 10.178 1.00 33.45 C ATOM 1427 O LEU A 93 -5.949 29.688 11.374 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.291 30.480 9.586 1.00 61.04 C ATOM 1429 CG LEU A 93 -8.041 31.984 9.707 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.411 32.524 8.433 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.339 32.717 10.015 1.00 44.50 C ATOM 0 H LEU A 93 -7.707 27.912 10.287 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.764 29.820 8.224 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -9.046 30.318 8.817 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.713 30.125 10.526 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.347 32.153 10.531 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.240 33.595 8.537 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.461 32.021 8.255 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -8.080 32.343 7.591 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -9.142 33.786 10.098 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -10.056 32.541 9.213 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.750 32.350 10.955 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.888 30.614 9.619 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.722 31.014 10.396 1.00 23.02 C ATOM 1445 C ILE A 94 -3.487 32.519 10.299 1.00 33.42 C ATOM 1446 O ILE A 94 -3.525 33.095 9.211 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.453 30.277 9.929 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.238 30.747 10.731 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.230 30.498 8.440 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.267 29.637 11.065 1.00 55.11 C ATOM 0 H ILE A 94 -4.842 30.863 8.631 1.00 72.12 H new ATOM 0 HA ILE A 94 -3.927 30.746 11.432 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.587 29.209 10.102 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.715 31.518 10.164 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.581 31.209 11.657 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.329 29.971 8.125 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -3.087 30.118 7.883 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.114 31.564 8.244 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.569 30.044 11.634 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.774 28.876 11.659 1.00 55.11 H new ATOM 0 HD13 ILE A 94 0.105 29.190 10.143 1.00 55.11 H new ATOM 1462 N HIS A 95 -3.240 33.148 11.443 1.00 31.02 N ATOM 1463 CA HIS A 95 -2.996 34.585 11.487 1.00 3.12 C ATOM 1464 C HIS A 95 -1.528 34.878 11.783 1.00 23.15 C ATOM 1465 O HIS A 95 -0.878 34.151 12.535 1.00 22.42 O ATOM 1466 CB HIS A 95 -3.881 35.243 12.545 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.347 35.026 12.319 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.315 35.454 13.201 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -6.006 34.423 11.302 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.508 35.122 12.738 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.347 34.496 11.586 1.00 25.13 N ATOM 0 H HIS A 95 -3.203 32.686 12.351 1.00 31.02 H new ATOM 0 HA HIS A 95 -3.242 34.999 10.509 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.611 34.853 13.526 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.679 36.314 12.561 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -6.139 35.950 14.075 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.560 33.969 10.430 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.453 35.327 13.219 1.00 35.13 H new ATOM 1479 N VAL A 96 -1.010 35.947 11.186 1.00 71.41 N ATOM 1480 CA VAL A 96 0.381 36.337 11.385 1.00 30.12 C ATOM 1481 C VAL A 96 0.479 37.716 12.026 1.00 32.13 C ATOM 1482 O VAL A 96 -0.211 38.652 11.621 1.00 62.43 O ATOM 1483 CB VAL A 96 1.158 36.343 10.055 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.599 36.773 10.282 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.098 34.974 9.397 1.00 60.41 C ATOM 0 H VAL A 96 -1.533 36.559 10.560 1.00 71.41 H new ATOM 0 HA VAL A 96 0.825 35.598 12.052 1.00 30.12 H new ATOM 0 HB VAL A 96 0.691 37.063 9.383 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.133 36.772 9.332 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.617 37.777 10.707 1.00 62.50 H new ATOM 0 HG13 VAL A 96 3.082 36.079 10.971 1.00 62.50 H new ATOM 0 HG21 VAL A 96 1.652 34.997 8.459 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.540 34.231 10.061 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.059 34.711 9.198 1.00 60.41 H new ATOM 1495 N LYS A 97 1.341 37.836 13.030 1.00 13.43 N ATOM 1496 CA LYS A 97 1.534 39.102 13.728 1.00 32.32 C ATOM 1497 C LYS A 97 3.014 39.456 13.815 1.00 33.23 C ATOM 1498 O LYS A 97 3.866 38.579 13.960 1.00 53.25 O ATOM 1499 CB LYS A 97 0.932 39.029 15.133 1.00 23.44 C ATOM 1500 CG LYS A 97 -0.471 38.450 15.165 1.00 24.53 C ATOM 1501 CD LYS A 97 -1.039 38.440 16.575 1.00 41.45 C ATOM 1502 CE LYS A 97 -2.159 37.421 16.717 1.00 62.22 C ATOM 1503 NZ LYS A 97 -3.270 37.681 15.759 1.00 53.42 N1+ ATOM 0 H LYS A 97 1.918 37.071 13.379 1.00 13.43 H new ATOM 0 HA LYS A 97 1.026 39.882 13.161 1.00 32.32 H new ATOM 0 HB2 LYS A 97 1.580 38.423 15.766 1.00 23.44 H new ATOM 0 HB3 LYS A 97 0.912 40.030 15.563 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -1.121 39.034 14.514 1.00 24.53 H new ATOM 0 HG3 LYS A 97 -0.455 37.434 14.771 1.00 24.53 H new ATOM 0 HD2 LYS A 97 -0.245 38.212 17.287 1.00 41.45 H new ATOM 0 HD3 LYS A 97 -1.415 39.432 16.824 1.00 41.45 H new ATOM 0 HE2 LYS A 97 -1.762 36.420 16.550 1.00 62.22 H new ATOM 0 HE3 LYS A 97 -2.545 37.445 17.736 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 -4.076 37.065 15.987 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 -3.564 38.676 15.830 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 -2.946 37.484 14.790 1.00 53.42 H new ATOM 1517 N LYS A 98 3.315 40.747 13.726 1.00 54.02 N ATOM 1518 CA LYS A 98 4.693 41.219 13.797 1.00 54.22 C ATOM 1519 C LYS A 98 5.269 41.009 15.194 1.00 33.52 C ATOM 1520 O LYS A 98 4.868 41.676 16.148 1.00 54.13 O ATOM 1521 CB LYS A 98 4.767 42.701 13.422 1.00 72.45 C ATOM 1522 CG LYS A 98 6.179 43.258 13.417 1.00 22.24 C ATOM 1523 CD LYS A 98 6.873 43.007 12.089 1.00 61.03 C ATOM 1524 CE LYS A 98 7.611 41.676 12.088 1.00 12.11 C ATOM 1525 NZ LYS A 98 8.647 41.618 11.019 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.622 41.486 13.604 1.00 54.02 H new ATOM 0 HA LYS A 98 5.285 40.641 13.088 1.00 54.22 H new ATOM 0 HB2 LYS A 98 4.328 42.839 12.434 1.00 72.45 H new ATOM 0 HB3 LYS A 98 4.162 43.275 14.123 1.00 72.45 H new ATOM 0 HG2 LYS A 98 6.149 44.329 13.616 1.00 22.24 H new ATOM 0 HG3 LYS A 98 6.755 42.800 14.222 1.00 22.24 H new ATOM 0 HD2 LYS A 98 6.137 43.017 11.285 1.00 61.03 H new ATOM 0 HD3 LYS A 98 7.577 43.815 11.887 1.00 61.03 H new ATOM 0 HE2 LYS A 98 8.082 41.521 13.059 1.00 12.11 H new ATOM 0 HE3 LYS A 98 6.897 40.865 11.946 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 9.128 40.696 11.051 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 8.195 41.741 10.090 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 9.343 42.376 11.168 1.00 62.45 H new ATOM 1539 N SER A 99 6.211 40.078 15.306 1.00 5.23 N ATOM 1540 CA SER A 99 6.840 39.778 16.588 1.00 54.21 C ATOM 1541 C SER A 99 7.597 40.992 17.118 1.00 15.23 C ATOM 1542 O SER A 99 7.621 41.244 18.323 1.00 12.25 O ATOM 1543 CB SER A 99 7.793 38.591 16.446 1.00 74.45 C ATOM 1544 OG SER A 99 8.757 38.582 17.486 1.00 71.51 O ATOM 0 H SER A 99 6.555 39.519 14.526 1.00 5.23 H new ATOM 0 HA SER A 99 6.055 39.522 17.300 1.00 54.21 H new ATOM 0 HB2 SER A 99 7.225 37.661 16.464 1.00 74.45 H new ATOM 0 HB3 SER A 99 8.296 38.638 15.480 1.00 74.45 H new ATOM 0 HG SER A 99 9.353 37.812 17.373 1.00 71.51 H new ATOM 1550 N ASP A 100 8.213 41.740 16.211 1.00 41.31 N ATOM 1551 CA ASP A 100 8.970 42.930 16.585 1.00 54.01 C ATOM 1552 C ASP A 100 8.050 44.001 17.160 1.00 20.12 C ATOM 1553 O ASP A 100 8.488 44.874 17.908 1.00 63.13 O ATOM 1554 CB ASP A 100 9.723 43.483 15.375 1.00 12.01 C ATOM 1555 CG ASP A 100 10.962 44.262 15.770 1.00 52.24 C ATOM 1556 OD1 ASP A 100 11.999 43.626 16.053 1.00 51.25 O ATOM 1557 OD2 ASP A 100 10.894 45.509 15.798 1.00 33.31 O1- ATOM 0 H ASP A 100 8.204 41.544 15.210 1.00 41.31 H new ATOM 0 HA ASP A 100 9.690 42.646 17.352 1.00 54.01 H new ATOM 0 HB2 ASP A 100 10.009 42.659 14.721 1.00 12.01 H new ATOM 0 HB3 ASP A 100 9.059 44.129 14.802 1.00 12.01 H new ATOM 1562 N PHE A 101 6.771 43.928 16.807 1.00 63.54 N ATOM 1563 CA PHE A 101 5.788 44.893 17.286 1.00 71.44 C ATOM 1564 C PHE A 101 5.364 44.571 18.716 1.00 52.32 C ATOM 1565 O PHE A 101 4.914 45.449 19.452 1.00 34.45 O ATOM 1566 CB PHE A 101 4.564 44.905 16.369 1.00 63.25 C ATOM 1567 CG PHE A 101 3.817 46.208 16.382 1.00 32.23 C ATOM 1568 CD1 PHE A 101 4.197 47.248 15.549 1.00 74.14 C ATOM 1569 CD2 PHE A 101 2.736 46.394 17.229 1.00 71.11 C ATOM 1570 CE1 PHE A 101 3.512 48.449 15.558 1.00 33.03 C ATOM 1571 CE2 PHE A 101 2.047 47.592 17.243 1.00 3.42 C ATOM 1572 CZ PHE A 101 2.437 48.621 16.407 1.00 74.12 C ATOM 0 H PHE A 101 6.391 43.210 16.190 1.00 63.54 H new ATOM 0 HA PHE A 101 6.249 45.880 17.276 1.00 71.44 H new ATOM 0 HB2 PHE A 101 4.882 44.688 15.349 1.00 63.25 H new ATOM 0 HB3 PHE A 101 3.888 44.105 16.669 1.00 63.25 H new ATOM 0 HD1 PHE A 101 5.039 47.119 14.885 1.00 74.14 H new ATOM 0 HD2 PHE A 101 2.428 45.594 17.886 1.00 71.11 H new ATOM 0 HE1 PHE A 101 3.817 49.251 14.902 1.00 33.03 H new ATOM 0 HE2 PHE A 101 1.205 47.724 17.906 1.00 3.42 H new ATOM 0 HZ PHE A 101 1.901 49.559 16.418 1.00 74.12 H new ATOM 1582 N GLU A 102 5.509 43.307 19.100 1.00 21.35 N ATOM 1583 CA GLU A 102 5.138 42.869 20.440 1.00 14.23 C ATOM 1584 C GLU A 102 6.354 42.850 21.362 1.00 60.31 C ATOM 1585 O GLU A 102 6.229 42.998 22.578 1.00 73.22 O ATOM 1586 CB GLU A 102 4.501 41.478 20.390 1.00 4.10 C ATOM 1587 CG GLU A 102 5.002 40.540 21.475 1.00 33.42 C ATOM 1588 CD GLU A 102 4.183 39.267 21.569 1.00 12.40 C ATOM 1589 OE1 GLU A 102 4.097 38.540 20.557 1.00 64.41 O1- ATOM 1590 OE2 GLU A 102 3.626 39.000 22.655 1.00 22.53 O ATOM 0 H GLU A 102 5.881 42.569 18.502 1.00 21.35 H new ATOM 0 HA GLU A 102 4.412 43.578 20.837 1.00 14.23 H new ATOM 0 HB2 GLU A 102 3.419 41.579 20.480 1.00 4.10 H new ATOM 0 HB3 GLU A 102 4.699 41.032 19.416 1.00 4.10 H new ATOM 0 HG2 GLU A 102 6.043 40.284 21.277 1.00 33.42 H new ATOM 0 HG3 GLU A 102 4.978 41.055 22.435 1.00 33.42 H new ATOM 1597 N VAL A 103 7.532 42.666 20.774 1.00 15.53 N ATOM 1598 CA VAL A 103 8.772 42.628 21.540 1.00 41.23 C ATOM 1599 C VAL A 103 9.652 43.831 21.222 1.00 24.20 C ATOM 1600 O VAL A 103 9.796 44.219 20.062 1.00 11.55 O ATOM 1601 CB VAL A 103 9.565 41.337 21.260 1.00 11.21 C ATOM 1602 CG1 VAL A 103 10.093 41.333 19.834 1.00 71.14 C ATOM 1603 CG2 VAL A 103 10.703 41.185 22.260 1.00 51.01 C ATOM 0 H VAL A 103 7.653 42.541 19.769 1.00 15.53 H new ATOM 0 HA VAL A 103 8.494 42.654 22.594 1.00 41.23 H new ATOM 0 HB VAL A 103 8.894 40.486 21.375 1.00 11.21 H new ATOM 0 HG11 VAL A 103 10.650 40.414 19.655 1.00 71.14 H new ATOM 0 HG12 VAL A 103 9.258 41.393 19.136 1.00 71.14 H new ATOM 0 HG13 VAL A 103 10.750 42.190 19.687 1.00 71.14 H new ATOM 0 HG21 VAL A 103 11.253 40.268 22.048 1.00 51.01 H new ATOM 0 HG22 VAL A 103 11.376 42.039 22.178 1.00 51.01 H new ATOM 0 HG23 VAL A 103 10.296 41.139 23.270 1.00 51.01 H new ATOM 1613 N PHE A 104 10.240 44.418 22.259 1.00 4.44 N ATOM 1614 CA PHE A 104 11.107 45.579 22.091 1.00 53.12 C ATOM 1615 C PHE A 104 12.482 45.161 21.577 1.00 20.21 C ATOM 1616 O PHE A 104 13.143 45.912 20.861 1.00 20.22 O ATOM 1617 CB PHE A 104 11.251 46.330 23.416 1.00 24.34 C ATOM 1618 CG PHE A 104 11.680 47.760 23.251 1.00 11.05 C ATOM 1619 CD1 PHE A 104 13.025 48.096 23.228 1.00 22.12 C ATOM 1620 CD2 PHE A 104 10.739 48.769 23.118 1.00 61.43 C ATOM 1621 CE1 PHE A 104 13.423 49.412 23.075 1.00 61.14 C ATOM 1622 CE2 PHE A 104 11.131 50.085 22.965 1.00 72.14 C ATOM 1623 CZ PHE A 104 12.474 50.406 22.945 1.00 73.40 C ATOM 0 H PHE A 104 10.132 44.109 23.225 1.00 4.44 H new ATOM 0 HA PHE A 104 10.649 46.240 21.355 1.00 53.12 H new ATOM 0 HB2 PHE A 104 10.298 46.304 23.945 1.00 24.34 H new ATOM 0 HB3 PHE A 104 11.977 45.811 24.042 1.00 24.34 H new ATOM 0 HD1 PHE A 104 13.771 47.321 23.331 1.00 22.12 H new ATOM 0 HD2 PHE A 104 9.687 48.524 23.134 1.00 61.43 H new ATOM 0 HE1 PHE A 104 14.474 49.661 23.057 1.00 61.14 H new ATOM 0 HE2 PHE A 104 10.388 50.862 22.861 1.00 72.14 H new ATOM 0 HZ PHE A 104 12.782 51.435 22.828 1.00 73.40 H new ATOM 1633 N ASP A 105 12.906 43.959 21.951 1.00 73.24 N ATOM 1634 CA ASP A 105 14.201 43.440 21.529 1.00 14.44 C ATOM 1635 C ASP A 105 15.305 44.463 21.778 1.00 70.40 C ATOM 1636 O ASP A 105 16.396 44.116 22.233 1.00 42.24 O ATOM 1637 CB ASP A 105 14.165 43.062 20.047 1.00 3.22 C ATOM 1638 CG ASP A 105 14.545 44.219 19.145 1.00 12.21 C ATOM 1639 OD1 ASP A 105 15.754 44.506 19.024 1.00 44.03 O ATOM 1640 OD2 ASP A 105 13.633 44.837 18.558 1.00 24.32 O1- ATOM 0 H ASP A 105 12.371 43.326 22.546 1.00 73.24 H new ATOM 0 HA ASP A 105 14.416 42.549 22.119 1.00 14.44 H new ATOM 0 HB2 ASP A 105 14.846 42.229 19.871 1.00 3.22 H new ATOM 0 HB3 ASP A 105 13.164 42.716 19.787 1.00 3.22 H new TER 1645 ASP A 105