USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 889 hydrogens (40 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 102 THR OG1 : rot -82:sc= 1.04 USER MOD Set 1.2: A 103 ASN : amide:sc= -5.94! C(o=-4.9!,f=-0.94!) USER MOD Set 2.1: A 52 ASN : amide:sc= -0.955 K(o=-0.85,f=-3.9!) USER MOD Set 2.2: A 78 THR OG1 : rot 35:sc= 0.101 USER MOD Set 3.1: A 31 ASN : amide:sc= -2.69 K(o=-6.9,f=-17!) USER MOD Set 3.2: A 33 HIS : no HD1:sc= -4.24! C(o=-6.9!,f=-13!) USER MOD Single : A 1 GLY N :NH3+ 174:sc= 2.41 (180deg=2.25) USER MOD Single : A 5 LYS NZ :NH3+ -137:sc= 1.25 (180deg=-0.304) USER MOD Single : A 7 LYS NZ :NH3+ -108:sc= -0.538 (180deg=-1.74!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -2.15! C(o=-2.2!,f=-4!) USER MOD Single : A 13 LYS NZ :NH3+ 152:sc= 0.0251 (180deg=-1) USER MOD Single : A 16 GLN : amide:sc= 0.623 K(o=0.62,f=2.3) USER MOD Single : A 19 THR OG1 : rot 81:sc= 1.46 USER MOD Single : A 22 LYS NZ :NH3+ -156:sc= -0.119 (180deg=-0.756) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -1.08 X(o=-1.1,f=-0.93) USER MOD Single : A 27 LYS NZ :NH3+ 164:sc=-0.00613 (180deg=-0.17) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -87:sc= -0.198 USER MOD Single : A 42 GLN : amide:sc= -0.986 K(o=-0.99,f=-0.028) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -78:sc= -3.69! USER MOD Single : A 49 THR OG1 : rot 140:sc= -0.485 USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= -0.0565 (180deg=-0.417) USER MOD Single : A 54 ASN : amide:sc= -10.9! C(o=-11!,f=-5.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0202 USER MOD Single : A 60 LYS NZ :NH3+ -158:sc= 0.14 (180deg=-0.655) USER MOD Single : A 63 THR OG1 : rot 91:sc= -1.97! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 32:sc= 1.32 USER MOD Single : A 70 ASN : amide:sc= -8.09! C(o=-8.1!,f=-8!) USER MOD Single : A 72 LYS NZ :NH3+ -163:sc= -2.49! (180deg=-3.1!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 151:sc= -0.127 (180deg=-0.901) USER MOD Single : A 80 MET CE :methyl -169:sc= -0.935 (180deg=-1.53) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -161:sc= -1.06 (180deg=-1.95!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 143:sc= 0.293 USER MOD Single : A 99 LYS NZ :NH3+ -137:sc= 0.413 (180deg=-0.0971) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 75.249 11.499 -7.771 1.00 0.00 N ATOM 2 CA GLY A 1 74.484 10.322 -7.272 1.00 0.00 C ATOM 3 C GLY A 1 73.841 9.597 -8.450 1.00 0.00 C ATOM 4 O GLY A 1 72.789 10.005 -8.943 1.00 0.00 O ATOM 0 H1 GLY A 1 75.603 12.051 -6.964 1.00 0.00 H new ATOM 0 H2 GLY A 1 76.052 11.173 -8.346 1.00 0.00 H new ATOM 0 H3 GLY A 1 74.627 12.096 -8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 1 75.147 9.646 -6.733 1.00 0.00 H new ATOM 0 HA3 GLY A 1 73.717 10.645 -6.568 1.00 0.00 H new ATOM 10 N ASP A 2 74.478 8.517 -8.895 1.00 0.00 N ATOM 11 CA ASP A 2 73.958 7.739 -10.015 1.00 0.00 C ATOM 12 C ASP A 2 74.388 6.284 -9.902 1.00 0.00 C ATOM 13 O ASP A 2 75.419 5.887 -10.444 1.00 0.00 O ATOM 14 CB ASP A 2 74.462 8.318 -11.337 1.00 0.00 C ATOM 15 CG ASP A 2 73.952 9.745 -11.513 1.00 0.00 C ATOM 16 OD1 ASP A 2 72.769 9.959 -11.310 1.00 0.00 O ATOM 17 OD2 ASP A 2 74.753 10.601 -11.850 1.00 0.00 O1- ATOM 0 H ASP A 2 75.349 8.163 -8.500 1.00 0.00 H new ATOM 0 HA ASP A 2 72.869 7.789 -9.989 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.552 8.308 -11.355 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.124 7.698 -12.167 1.00 0.00 H new ATOM 22 N VAL A 3 73.588 5.493 -9.197 1.00 0.00 N ATOM 23 CA VAL A 3 73.890 4.081 -9.023 1.00 0.00 C ATOM 24 C VAL A 3 74.244 3.445 -10.362 1.00 0.00 C ATOM 25 O VAL A 3 74.829 2.363 -10.410 1.00 0.00 O ATOM 26 CB VAL A 3 72.686 3.362 -8.410 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.438 3.638 -9.254 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.955 1.854 -8.371 1.00 0.00 C ATOM 0 H VAL A 3 72.731 5.804 -8.740 1.00 0.00 H new ATOM 0 HA VAL A 3 74.744 3.987 -8.353 1.00 0.00 H new ATOM 0 HB VAL A 3 72.525 3.728 -7.396 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.582 3.125 -8.816 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.245 4.711 -9.278 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.598 3.275 -10.269 1.00 0.00 H new ATOM 0 HG21 VAL A 3 72.097 1.343 -7.934 1.00 0.00 H new ATOM 0 HG22 VAL A 3 73.119 1.487 -9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.841 1.658 -7.767 1.00 0.00 H new ATOM 38 N GLU A 4 73.886 4.122 -11.450 1.00 0.00 N ATOM 39 CA GLU A 4 74.176 3.602 -12.783 1.00 0.00 C ATOM 40 C GLU A 4 75.666 3.711 -13.086 1.00 0.00 C ATOM 41 O GLU A 4 76.333 2.707 -13.342 1.00 0.00 O ATOM 42 CB GLU A 4 73.379 4.377 -13.833 1.00 0.00 C ATOM 43 CG GLU A 4 71.904 3.976 -13.754 1.00 0.00 C ATOM 44 CD GLU A 4 71.718 2.568 -14.306 1.00 0.00 C ATOM 45 OE1 GLU A 4 72.687 2.010 -14.794 1.00 0.00 O ATOM 46 OE2 GLU A 4 70.607 2.067 -14.235 1.00 0.00 O1- ATOM 0 H GLU A 4 73.401 5.019 -11.437 1.00 0.00 H new ATOM 0 HA GLU A 4 73.886 2.552 -12.814 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.485 5.449 -13.667 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.771 4.169 -14.829 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.562 4.019 -12.720 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.296 4.681 -14.320 1.00 0.00 H new ATOM 53 N LYS A 5 76.187 4.931 -13.040 1.00 0.00 N ATOM 54 CA LYS A 5 77.603 5.145 -13.299 1.00 0.00 C ATOM 55 C LYS A 5 78.419 4.612 -12.132 1.00 0.00 C ATOM 56 O LYS A 5 79.599 4.298 -12.276 1.00 0.00 O ATOM 57 CB LYS A 5 77.887 6.637 -13.499 1.00 0.00 C ATOM 58 CG LYS A 5 77.504 7.045 -14.927 1.00 0.00 C ATOM 59 CD LYS A 5 77.361 8.571 -15.011 1.00 0.00 C ATOM 60 CE LYS A 5 75.930 8.978 -14.645 1.00 0.00 C ATOM 61 NZ LYS A 5 75.890 10.440 -14.359 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.657 5.777 -12.829 1.00 0.00 H new ATOM 0 HA LYS A 5 77.883 4.613 -14.208 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.321 7.226 -12.777 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.942 6.844 -13.321 1.00 0.00 H new ATOM 0 HG2 LYS A 5 78.264 6.703 -15.629 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.567 6.566 -15.213 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.069 9.050 -14.335 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.600 8.913 -16.018 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.251 8.737 -15.463 1.00 0.00 H new ATOM 0 HE3 LYS A 5 75.592 8.416 -13.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 75.308 10.613 -13.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 76.856 10.787 -14.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 75.479 10.942 -15.172 1.00 0.00 H new ATOM 75 N GLY A 6 77.770 4.488 -10.982 1.00 0.00 N ATOM 76 CA GLY A 6 78.439 3.962 -9.804 1.00 0.00 C ATOM 77 C GLY A 6 78.701 2.480 -10.002 1.00 0.00 C ATOM 78 O GLY A 6 79.698 1.935 -9.524 1.00 0.00 O ATOM 0 H GLY A 6 76.792 4.742 -10.842 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.377 4.491 -9.637 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.822 4.120 -8.919 1.00 0.00 H new ATOM 82 N LYS A 7 77.797 1.839 -10.735 1.00 0.00 N ATOM 83 CA LYS A 7 77.925 0.422 -11.024 1.00 0.00 C ATOM 84 C LYS A 7 79.086 0.192 -11.981 1.00 0.00 C ATOM 85 O LYS A 7 79.894 -0.712 -11.783 1.00 0.00 O ATOM 86 CB LYS A 7 76.632 -0.101 -11.652 1.00 0.00 C ATOM 87 CG LYS A 7 76.663 -1.630 -11.681 1.00 0.00 C ATOM 88 CD LYS A 7 75.520 -2.154 -12.558 1.00 0.00 C ATOM 89 CE LYS A 7 75.766 -1.779 -14.027 1.00 0.00 C ATOM 90 NZ LYS A 7 74.971 -0.566 -14.369 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.970 2.280 -11.138 1.00 0.00 H new ATOM 0 HA LYS A 7 78.114 -0.113 -10.093 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.771 0.245 -11.080 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.522 0.291 -12.663 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.621 -1.977 -12.070 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.568 -2.024 -10.669 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.443 -3.237 -12.459 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.572 -1.735 -12.222 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.827 -1.591 -14.193 1.00 0.00 H new ATOM 0 HE3 LYS A 7 75.484 -2.607 -14.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 74.180 -0.833 -14.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.599 -0.138 -13.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 75.579 0.121 -14.860 1.00 0.00 H new ATOM 104 N LYS A 8 79.168 1.022 -13.019 1.00 0.00 N ATOM 105 CA LYS A 8 80.243 0.894 -13.995 1.00 0.00 C ATOM 106 C LYS A 8 81.605 1.028 -13.315 1.00 0.00 C ATOM 107 O LYS A 8 82.526 0.250 -13.578 1.00 0.00 O ATOM 108 CB LYS A 8 80.097 1.970 -15.076 1.00 0.00 C ATOM 109 CG LYS A 8 81.312 1.936 -16.019 1.00 0.00 C ATOM 110 CD LYS A 8 82.294 3.058 -15.655 1.00 0.00 C ATOM 111 CE LYS A 8 81.830 4.375 -16.285 1.00 0.00 C ATOM 112 NZ LYS A 8 82.798 5.456 -15.948 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.511 1.780 -13.203 1.00 0.00 H new ATOM 0 HA LYS A 8 80.177 -0.092 -14.455 1.00 0.00 H new ATOM 0 HB2 LYS A 8 79.181 1.805 -15.643 1.00 0.00 H new ATOM 0 HB3 LYS A 8 80.013 2.953 -14.613 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.810 0.969 -15.948 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.984 2.050 -17.052 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.355 3.164 -14.572 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.294 2.807 -16.008 1.00 0.00 H new ATOM 0 HE2 LYS A 8 81.753 4.266 -17.367 1.00 0.00 H new ATOM 0 HE3 LYS A 8 80.837 4.635 -15.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.483 6.350 -16.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.850 5.566 -14.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 83.738 5.208 -16.318 1.00 0.00 H new ATOM 126 N ILE A 9 81.725 2.023 -12.443 1.00 0.00 N ATOM 127 CA ILE A 9 82.977 2.259 -11.735 1.00 0.00 C ATOM 128 C ILE A 9 83.261 1.140 -10.738 1.00 0.00 C ATOM 129 O ILE A 9 84.405 0.924 -10.349 1.00 0.00 O ATOM 130 CB ILE A 9 82.907 3.591 -10.992 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.671 4.726 -11.991 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.225 3.828 -10.256 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.251 5.990 -11.237 1.00 0.00 C ATOM 0 H ILE A 9 80.976 2.675 -12.211 1.00 0.00 H new ATOM 0 HA ILE A 9 83.783 2.285 -12.469 1.00 0.00 H new ATOM 0 HB ILE A 9 82.086 3.564 -10.276 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.579 4.916 -12.563 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.898 4.442 -12.705 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.179 4.778 -9.724 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.394 3.021 -9.543 1.00 0.00 H new ATOM 0 HG23 ILE A 9 85.044 3.854 -10.975 1.00 0.00 H new ATOM 0 HD11 ILE A 9 82.083 6.799 -11.948 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.332 5.796 -10.684 1.00 0.00 H new ATOM 0 HD13 ILE A 9 83.039 6.277 -10.541 1.00 0.00 H new ATOM 145 N PHE A 10 82.214 0.443 -10.317 1.00 0.00 N ATOM 146 CA PHE A 10 82.376 -0.638 -9.350 1.00 0.00 C ATOM 147 C PHE A 10 82.826 -1.933 -10.029 1.00 0.00 C ATOM 148 O PHE A 10 83.807 -2.549 -9.612 1.00 0.00 O ATOM 149 CB PHE A 10 81.050 -0.875 -8.612 1.00 0.00 C ATOM 150 CG PHE A 10 80.991 -2.300 -8.109 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.485 -3.309 -8.934 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.451 -2.612 -6.825 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.438 -4.632 -8.480 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.403 -3.935 -6.368 1.00 0.00 C ATOM 155 CZ PHE A 10 80.899 -4.945 -7.198 1.00 0.00 C ATOM 0 H PHE A 10 81.255 0.602 -10.624 1.00 0.00 H new ATOM 0 HA PHE A 10 83.148 -0.343 -8.639 1.00 0.00 H new ATOM 0 HB2 PHE A 10 80.959 -0.181 -7.777 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.211 -0.681 -9.281 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.129 -3.067 -9.925 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.843 -1.834 -6.187 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.046 -5.410 -9.119 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.754 -4.177 -5.376 1.00 0.00 H new ATOM 0 HZ PHE A 10 80.867 -5.966 -6.847 1.00 0.00 H new ATOM 165 N VAL A 11 82.100 -2.347 -11.063 1.00 0.00 N ATOM 166 CA VAL A 11 82.426 -3.582 -11.776 1.00 0.00 C ATOM 167 C VAL A 11 83.862 -3.573 -12.269 1.00 0.00 C ATOM 168 O VAL A 11 84.496 -4.622 -12.385 1.00 0.00 O ATOM 169 CB VAL A 11 81.495 -3.766 -12.974 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.057 -3.916 -12.485 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.596 -2.547 -13.888 1.00 0.00 C ATOM 0 H VAL A 11 81.286 -1.850 -11.426 1.00 0.00 H new ATOM 0 HA VAL A 11 82.297 -4.406 -11.074 1.00 0.00 H new ATOM 0 HB VAL A 11 81.786 -4.660 -13.525 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.394 -4.047 -13.340 1.00 0.00 H new ATOM 0 HG12 VAL A 11 79.984 -4.786 -11.832 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.765 -3.022 -11.933 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.932 -2.677 -14.743 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.305 -1.653 -13.336 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.622 -2.439 -14.239 1.00 0.00 H new ATOM 181 N GLN A 12 84.366 -2.391 -12.590 1.00 0.00 N ATOM 182 CA GLN A 12 85.726 -2.280 -13.106 1.00 0.00 C ATOM 183 C GLN A 12 86.737 -1.933 -12.014 1.00 0.00 C ATOM 184 O GLN A 12 87.929 -2.200 -12.167 1.00 0.00 O ATOM 185 CB GLN A 12 85.772 -1.209 -14.194 1.00 0.00 C ATOM 186 CG GLN A 12 85.581 0.174 -13.571 1.00 0.00 C ATOM 187 CD GLN A 12 85.358 1.200 -14.675 1.00 0.00 C ATOM 188 OE1 GLN A 12 85.062 2.361 -14.398 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.485 0.833 -15.920 1.00 0.00 N ATOM 0 H GLN A 12 83.865 -1.507 -12.505 1.00 0.00 H new ATOM 0 HA GLN A 12 86.001 -3.253 -13.513 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.726 -1.252 -14.719 1.00 0.00 H new ATOM 0 HB3 GLN A 12 84.993 -1.395 -14.933 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.729 0.164 -12.891 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.457 0.443 -12.981 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.731 -0.131 -16.145 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.339 1.510 -16.669 1.00 0.00 H new ATOM 198 N LYS A 13 86.280 -1.303 -10.932 1.00 0.00 N ATOM 199 CA LYS A 13 87.199 -0.896 -9.865 1.00 0.00 C ATOM 200 C LYS A 13 87.187 -1.823 -8.641 1.00 0.00 C ATOM 201 O LYS A 13 88.206 -2.429 -8.318 1.00 0.00 O ATOM 202 CB LYS A 13 86.877 0.536 -9.428 1.00 0.00 C ATOM 203 CG LYS A 13 88.107 1.171 -8.765 1.00 0.00 C ATOM 204 CD LYS A 13 89.039 1.756 -9.838 1.00 0.00 C ATOM 205 CE LYS A 13 88.630 3.200 -10.145 1.00 0.00 C ATOM 206 NZ LYS A 13 88.879 4.051 -8.947 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.301 -1.067 -10.771 1.00 0.00 H new ATOM 0 HA LYS A 13 88.202 -0.960 -10.286 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.572 1.128 -10.291 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.039 0.533 -8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 13 87.795 1.956 -8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 13 88.640 0.424 -8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 13 90.072 1.726 -9.492 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.989 1.153 -10.745 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.197 3.577 -10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 13 87.576 3.240 -10.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 89.067 5.029 -9.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 88.043 4.034 -8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 89.702 3.685 -8.426 1.00 0.00 H new ATOM 220 N CYS A 14 86.061 -1.888 -7.926 1.00 0.00 N ATOM 221 CA CYS A 14 85.995 -2.697 -6.699 1.00 0.00 C ATOM 222 C CYS A 14 85.716 -4.179 -6.951 1.00 0.00 C ATOM 223 O CYS A 14 86.255 -5.035 -6.252 1.00 0.00 O ATOM 224 CB CYS A 14 84.928 -2.132 -5.755 1.00 0.00 C ATOM 225 SG CYS A 14 84.888 -0.320 -5.874 1.00 0.00 S ATOM 0 H CYS A 14 85.197 -1.402 -8.166 1.00 0.00 H new ATOM 0 HA CYS A 14 86.984 -2.637 -6.245 1.00 0.00 H new ATOM 0 HB2 CYS A 14 83.951 -2.543 -6.010 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.142 -2.432 -4.729 1.00 0.00 H new ATOM 230 N ALA A 15 84.875 -4.491 -7.922 1.00 0.00 N ATOM 231 CA ALA A 15 84.553 -5.888 -8.193 1.00 0.00 C ATOM 232 C ALA A 15 85.827 -6.729 -8.258 1.00 0.00 C ATOM 233 O ALA A 15 85.805 -7.930 -7.988 1.00 0.00 O ATOM 234 CB ALA A 15 83.792 -6.004 -9.514 1.00 0.00 C ATOM 0 H ALA A 15 84.409 -3.814 -8.527 1.00 0.00 H new ATOM 0 HA ALA A 15 83.927 -6.261 -7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.556 -7.050 -9.707 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.868 -5.429 -9.453 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.409 -5.615 -10.324 1.00 0.00 H new ATOM 240 N GLN A 16 86.932 -6.088 -8.618 1.00 0.00 N ATOM 241 CA GLN A 16 88.213 -6.779 -8.722 1.00 0.00 C ATOM 242 C GLN A 16 88.473 -7.668 -7.506 1.00 0.00 C ATOM 243 O GLN A 16 88.576 -8.887 -7.635 1.00 0.00 O ATOM 244 CB GLN A 16 89.344 -5.760 -8.856 1.00 0.00 C ATOM 245 CG GLN A 16 89.280 -5.103 -10.236 1.00 0.00 C ATOM 246 CD GLN A 16 90.456 -4.149 -10.413 1.00 0.00 C ATOM 247 OE1 GLN A 16 90.267 -2.991 -10.785 1.00 0.00 O ATOM 248 NE2 GLN A 16 91.667 -4.568 -10.166 1.00 0.00 N ATOM 0 H GLN A 16 86.968 -5.094 -8.842 1.00 0.00 H new ATOM 0 HA GLN A 16 88.176 -7.414 -9.607 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.259 -5.002 -8.077 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.308 -6.251 -8.720 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.300 -5.867 -11.013 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.341 -4.561 -10.347 1.00 0.00 H new ATOM 0 HE21 GLN A 16 91.822 -5.528 -9.858 1.00 0.00 H new ATOM 0 HE22 GLN A 16 92.459 -3.936 -10.281 1.00 0.00 H new ATOM 257 N CYS A 17 88.599 -7.053 -6.327 1.00 0.00 N ATOM 258 CA CYS A 17 88.870 -7.812 -5.103 1.00 0.00 C ATOM 259 C CYS A 17 87.789 -7.577 -4.041 1.00 0.00 C ATOM 260 O CYS A 17 88.097 -7.284 -2.886 1.00 0.00 O ATOM 261 CB CYS A 17 90.250 -7.422 -4.536 1.00 0.00 C ATOM 262 SG CYS A 17 91.240 -6.610 -5.821 1.00 0.00 S ATOM 0 H CYS A 17 88.519 -6.045 -6.194 1.00 0.00 H new ATOM 0 HA CYS A 17 88.864 -8.871 -5.361 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.127 -6.754 -3.684 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.768 -8.310 -4.173 1.00 0.00 H new ATOM 267 N HIS A 18 86.522 -7.725 -4.429 1.00 0.00 N ATOM 268 CA HIS A 18 85.423 -7.540 -3.479 1.00 0.00 C ATOM 269 C HIS A 18 84.199 -8.347 -3.904 1.00 0.00 C ATOM 270 O HIS A 18 84.241 -9.089 -4.885 1.00 0.00 O ATOM 271 CB HIS A 18 85.048 -6.057 -3.371 1.00 0.00 C ATOM 272 CG HIS A 18 85.979 -5.367 -2.409 1.00 0.00 C ATOM 273 ND1 HIS A 18 85.732 -5.311 -1.046 1.00 0.00 N ATOM 274 CD2 HIS A 18 87.154 -4.692 -2.603 1.00 0.00 C ATOM 275 CE1 HIS A 18 86.741 -4.620 -0.480 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.636 -4.218 -1.385 1.00 0.00 N ATOM 0 H HIS A 18 86.233 -7.968 -5.377 1.00 0.00 H new ATOM 0 HA HIS A 18 85.759 -7.895 -2.505 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.107 -5.585 -4.352 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.017 -5.956 -3.030 1.00 0.00 H new ATOM 0 HD1 HIS A 18 84.933 -5.718 -0.560 1.00 0.00 H new ATOM 0 HD2 HIS A 18 87.636 -4.548 -3.559 1.00 0.00 H new ATOM 0 HE1 HIS A 18 86.816 -4.416 0.578 1.00 0.00 H new ATOM 284 N THR A 19 83.114 -8.199 -3.148 1.00 0.00 N ATOM 285 CA THR A 19 81.880 -8.923 -3.436 1.00 0.00 C ATOM 286 C THR A 19 80.665 -8.008 -3.266 1.00 0.00 C ATOM 287 O THR A 19 79.734 -8.040 -4.071 1.00 0.00 O ATOM 288 CB THR A 19 81.767 -10.124 -2.490 1.00 0.00 C ATOM 289 OG1 THR A 19 83.065 -10.487 -2.040 1.00 0.00 O ATOM 290 CG2 THR A 19 81.138 -11.306 -3.223 1.00 0.00 C ATOM 0 H THR A 19 83.065 -7.586 -2.334 1.00 0.00 H new ATOM 0 HA THR A 19 81.905 -9.270 -4.469 1.00 0.00 H new ATOM 0 HB THR A 19 81.140 -9.856 -1.639 1.00 0.00 H new ATOM 0 HG1 THR A 19 83.336 -9.892 -1.310 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.061 -12.156 -2.545 1.00 0.00 H new ATOM 0 HG22 THR A 19 80.143 -11.030 -3.573 1.00 0.00 H new ATOM 0 HG23 THR A 19 81.760 -11.578 -4.076 1.00 0.00 H new ATOM 298 N VAL A 20 80.690 -7.201 -2.210 1.00 0.00 N ATOM 299 CA VAL A 20 79.600 -6.272 -1.919 1.00 0.00 C ATOM 300 C VAL A 20 78.235 -6.923 -2.132 1.00 0.00 C ATOM 301 O VAL A 20 77.256 -6.237 -2.421 1.00 0.00 O ATOM 302 CB VAL A 20 79.715 -5.015 -2.789 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.103 -4.394 -2.618 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.501 -5.374 -4.256 1.00 0.00 C ATOM 0 H VAL A 20 81.457 -7.171 -1.538 1.00 0.00 H new ATOM 0 HA VAL A 20 79.685 -5.992 -0.869 1.00 0.00 H new ATOM 0 HB VAL A 20 78.953 -4.300 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.181 -3.501 -3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.255 -4.125 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.863 -5.114 -2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.584 -4.475 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.256 -6.096 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.509 -5.808 -4.383 1.00 0.00 H new ATOM 314 N GLU A 21 78.171 -8.242 -1.976 1.00 0.00 N ATOM 315 CA GLU A 21 76.909 -8.962 -2.142 1.00 0.00 C ATOM 316 C GLU A 21 76.574 -9.733 -0.867 1.00 0.00 C ATOM 317 O GLU A 21 77.337 -10.596 -0.431 1.00 0.00 O ATOM 318 CB GLU A 21 76.991 -9.919 -3.340 1.00 0.00 C ATOM 319 CG GLU A 21 77.709 -11.211 -2.940 1.00 0.00 C ATOM 320 CD GLU A 21 78.084 -12.003 -4.188 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.724 -11.571 -5.270 1.00 0.00 O ATOM 322 OE2 GLU A 21 78.727 -13.030 -4.043 1.00 0.00 O1- ATOM 0 H GLU A 21 78.969 -8.831 -1.737 1.00 0.00 H new ATOM 0 HA GLU A 21 76.116 -8.239 -2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.988 -10.149 -3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.522 -9.439 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.605 -10.977 -2.364 1.00 0.00 H new ATOM 0 HG3 GLU A 21 77.065 -11.811 -2.297 1.00 0.00 H new ATOM 329 N LYS A 22 75.436 -9.405 -0.266 1.00 0.00 N ATOM 330 CA LYS A 22 75.016 -10.063 0.965 1.00 0.00 C ATOM 331 C LYS A 22 74.973 -11.577 0.784 1.00 0.00 C ATOM 332 O LYS A 22 74.513 -12.078 -0.242 1.00 0.00 O ATOM 333 CB LYS A 22 73.633 -9.557 1.381 1.00 0.00 C ATOM 334 CG LYS A 22 73.348 -9.957 2.835 1.00 0.00 C ATOM 335 CD LYS A 22 73.931 -8.909 3.789 1.00 0.00 C ATOM 336 CE LYS A 22 73.514 -9.237 5.223 1.00 0.00 C ATOM 337 NZ LYS A 22 72.031 -9.146 5.341 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.792 -8.692 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 22 75.741 -9.826 1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.586 -8.473 1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 22 72.870 -9.974 0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 22 72.273 -10.047 2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 22 73.783 -10.934 3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 22 75.018 -8.894 3.709 1.00 0.00 H new ATOM 0 HD3 LYS A 22 73.578 -7.915 3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 22 73.850 -10.239 5.491 1.00 0.00 H new ATOM 0 HE3 LYS A 22 73.988 -8.545 5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 71.772 -8.962 6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 71.682 -8.370 4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 71.603 -10.042 5.032 1.00 0.00 H new ATOM 351 N GLY A 23 75.450 -12.300 1.793 1.00 0.00 N ATOM 352 CA GLY A 23 75.458 -13.757 1.744 1.00 0.00 C ATOM 353 C GLY A 23 76.392 -14.269 0.653 1.00 0.00 C ATOM 354 O GLY A 23 76.202 -15.366 0.127 1.00 0.00 O ATOM 0 H GLY A 23 75.834 -11.902 2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.771 -14.154 2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.447 -14.123 1.562 1.00 0.00 H new ATOM 358 N GLY A 24 77.402 -13.473 0.317 1.00 0.00 N ATOM 359 CA GLY A 24 78.359 -13.863 -0.712 1.00 0.00 C ATOM 360 C GLY A 24 79.533 -14.616 -0.099 1.00 0.00 C ATOM 361 O GLY A 24 79.360 -15.421 0.816 1.00 0.00 O ATOM 0 H GLY A 24 77.578 -12.561 0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.866 -14.490 -1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.721 -12.977 -1.233 1.00 0.00 H new ATOM 365 N LYS A 25 80.729 -14.347 -0.611 1.00 0.00 N ATOM 366 CA LYS A 25 81.932 -14.999 -0.108 1.00 0.00 C ATOM 367 C LYS A 25 83.147 -14.097 -0.303 1.00 0.00 C ATOM 368 O LYS A 25 83.573 -13.847 -1.430 1.00 0.00 O ATOM 369 CB LYS A 25 82.151 -16.331 -0.834 1.00 0.00 C ATOM 370 CG LYS A 25 81.834 -16.169 -2.324 1.00 0.00 C ATOM 371 CD LYS A 25 82.512 -17.288 -3.119 1.00 0.00 C ATOM 372 CE LYS A 25 82.284 -17.075 -4.619 1.00 0.00 C ATOM 373 NZ LYS A 25 83.411 -17.683 -5.382 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.891 -13.685 -1.370 1.00 0.00 H new ATOM 0 HA LYS A 25 81.804 -15.190 0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 25 83.182 -16.660 -0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.514 -17.102 -0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 25 80.756 -16.199 -2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.181 -15.198 -2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 25 83.580 -17.303 -2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 25 82.112 -18.255 -2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 25 81.339 -17.527 -4.922 1.00 0.00 H new ATOM 0 HE3 LYS A 25 82.213 -16.010 -4.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 83.258 -17.539 -6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 84.305 -17.232 -5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 83.458 -18.702 -5.179 1.00 0.00 H new ATOM 387 N HIS A 26 83.698 -13.608 0.802 1.00 0.00 N ATOM 388 CA HIS A 26 84.861 -12.732 0.736 1.00 0.00 C ATOM 389 C HIS A 26 85.983 -13.390 -0.059 1.00 0.00 C ATOM 390 O HIS A 26 86.468 -14.463 0.297 1.00 0.00 O ATOM 391 CB HIS A 26 85.353 -12.403 2.147 1.00 0.00 C ATOM 392 CG HIS A 26 85.179 -13.605 3.034 1.00 0.00 C ATOM 393 ND1 HIS A 26 86.136 -14.604 3.121 1.00 0.00 N ATOM 394 CD2 HIS A 26 84.165 -13.983 3.880 1.00 0.00 C ATOM 395 CE1 HIS A 26 85.684 -15.525 3.991 1.00 0.00 C ATOM 396 NE2 HIS A 26 84.487 -15.194 4.484 1.00 0.00 N ATOM 0 H HIS A 26 83.362 -13.801 1.746 1.00 0.00 H new ATOM 0 HA HIS A 26 84.568 -11.810 0.233 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.402 -12.108 2.118 1.00 0.00 H new ATOM 0 HB3 HIS A 26 84.796 -11.557 2.550 1.00 0.00 H new ATOM 0 HD1 HIS A 26 87.022 -14.635 2.617 1.00 0.00 H new ATOM 0 HD2 HIS A 26 83.256 -13.425 4.050 1.00 0.00 H new ATOM 0 HE1 HIS A 26 86.223 -16.422 4.258 1.00 0.00 H new ATOM 405 N LYS A 27 86.391 -12.730 -1.138 1.00 0.00 N ATOM 406 CA LYS A 27 87.462 -13.241 -1.988 1.00 0.00 C ATOM 407 C LYS A 27 88.486 -12.144 -2.256 1.00 0.00 C ATOM 408 O LYS A 27 88.143 -11.071 -2.753 1.00 0.00 O ATOM 409 CB LYS A 27 86.883 -13.748 -3.313 1.00 0.00 C ATOM 410 CG LYS A 27 86.368 -12.565 -4.140 1.00 0.00 C ATOM 411 CD LYS A 27 85.366 -13.066 -5.186 1.00 0.00 C ATOM 412 CE LYS A 27 85.211 -12.021 -6.293 1.00 0.00 C ATOM 413 NZ LYS A 27 86.390 -12.084 -7.202 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.997 -11.841 -1.445 1.00 0.00 H new ATOM 0 HA LYS A 27 87.954 -14.068 -1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.647 -14.289 -3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 27 86.072 -14.450 -3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 27 85.893 -11.832 -3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 27 87.201 -12.062 -4.631 1.00 0.00 H new ATOM 0 HD2 LYS A 27 85.709 -14.010 -5.609 1.00 0.00 H new ATOM 0 HD3 LYS A 27 84.401 -13.259 -4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 27 84.295 -12.203 -6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 27 85.126 -11.025 -5.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 86.173 -11.584 -8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 87.207 -11.634 -6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 86.614 -13.078 -7.412 1.00 0.00 H new ATOM 427 N THR A 28 89.739 -12.413 -1.910 1.00 0.00 N ATOM 428 CA THR A 28 90.797 -11.431 -2.107 1.00 0.00 C ATOM 429 C THR A 28 90.359 -10.077 -1.553 1.00 0.00 C ATOM 430 O THR A 28 90.814 -9.028 -2.006 1.00 0.00 O ATOM 431 CB THR A 28 91.123 -11.302 -3.599 1.00 0.00 C ATOM 432 OG1 THR A 28 91.051 -12.585 -4.207 1.00 0.00 O ATOM 433 CG2 THR A 28 92.533 -10.732 -3.774 1.00 0.00 C ATOM 0 H THR A 28 90.045 -13.293 -1.496 1.00 0.00 H new ATOM 0 HA THR A 28 91.690 -11.762 -1.577 1.00 0.00 H new ATOM 0 HB THR A 28 90.405 -10.631 -4.070 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.257 -12.507 -5.162 1.00 0.00 H new ATOM 0 HG21 THR A 28 92.760 -10.642 -4.836 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.589 -9.749 -3.307 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.256 -11.399 -3.304 1.00 0.00 H new ATOM 441 N GLY A 29 89.469 -10.116 -0.567 1.00 0.00 N ATOM 442 CA GLY A 29 88.968 -8.896 0.053 1.00 0.00 C ATOM 443 C GLY A 29 87.756 -9.196 0.934 1.00 0.00 C ATOM 444 O GLY A 29 87.068 -10.197 0.735 1.00 0.00 O ATOM 0 H GLY A 29 89.081 -10.977 -0.181 1.00 0.00 H new ATOM 0 HA2 GLY A 29 89.755 -8.437 0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 29 88.694 -8.176 -0.718 1.00 0.00 H new ATOM 448 N PRO A 30 87.484 -8.352 1.897 1.00 0.00 N ATOM 449 CA PRO A 30 86.328 -8.534 2.825 1.00 0.00 C ATOM 450 C PRO A 30 84.993 -8.203 2.159 1.00 0.00 C ATOM 451 O PRO A 30 84.954 -7.741 1.018 1.00 0.00 O ATOM 452 CB PRO A 30 86.632 -7.558 3.965 1.00 0.00 C ATOM 453 CG PRO A 30 87.452 -6.476 3.341 1.00 0.00 C ATOM 454 CD PRO A 30 88.249 -7.132 2.210 1.00 0.00 C ATOM 0 HA PRO A 30 86.223 -9.567 3.156 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.715 -7.158 4.397 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.176 -8.050 4.771 1.00 0.00 H new ATOM 0 HG2 PRO A 30 86.815 -5.680 2.956 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.120 -6.023 4.074 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.326 -6.476 1.343 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.266 -7.368 2.523 1.00 0.00 H new ATOM 462 N ASN A 31 83.902 -8.441 2.883 1.00 0.00 N ATOM 463 CA ASN A 31 82.565 -8.166 2.363 1.00 0.00 C ATOM 464 C ASN A 31 82.033 -6.855 2.932 1.00 0.00 C ATOM 465 O ASN A 31 81.947 -6.686 4.147 1.00 0.00 O ATOM 466 CB ASN A 31 81.617 -9.309 2.731 1.00 0.00 C ATOM 467 CG ASN A 31 81.324 -9.284 4.228 1.00 0.00 C ATOM 468 OD1 ASN A 31 80.470 -8.523 4.682 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.987 -10.075 5.027 1.00 0.00 N ATOM 0 H ASN A 31 83.917 -8.823 3.829 1.00 0.00 H new ATOM 0 HA ASN A 31 82.625 -8.081 1.278 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.688 -9.217 2.169 1.00 0.00 H new ATOM 0 HB3 ASN A 31 82.063 -10.265 2.455 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.798 -10.063 6.029 1.00 0.00 H new ATOM 0 HD22 ASN A 31 82.694 -10.705 4.649 1.00 0.00 H new ATOM 476 N LEU A 32 81.685 -5.930 2.046 1.00 0.00 N ATOM 477 CA LEU A 32 81.173 -4.629 2.466 1.00 0.00 C ATOM 478 C LEU A 32 79.699 -4.713 2.863 1.00 0.00 C ATOM 479 O LEU A 32 78.955 -3.744 2.711 1.00 0.00 O ATOM 480 CB LEU A 32 81.331 -3.607 1.336 1.00 0.00 C ATOM 481 CG LEU A 32 82.678 -3.791 0.631 1.00 0.00 C ATOM 482 CD1 LEU A 32 82.941 -2.580 -0.275 1.00 0.00 C ATOM 483 CD2 LEU A 32 83.800 -3.899 1.667 1.00 0.00 C ATOM 0 H LEU A 32 81.747 -6.054 1.036 1.00 0.00 H new ATOM 0 HA LEU A 32 81.751 -4.313 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.519 -3.722 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.260 -2.597 1.739 1.00 0.00 H new ATOM 0 HG LEU A 32 82.651 -4.704 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 32 83.899 -2.705 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.147 -2.502 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 32 82.964 -1.672 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 32 84.755 -4.030 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.830 -2.989 2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.615 -4.755 2.316 1.00 0.00 H new ATOM 495 N HIS A 33 79.280 -5.863 3.376 1.00 0.00 N ATOM 496 CA HIS A 33 77.890 -6.034 3.794 1.00 0.00 C ATOM 497 C HIS A 33 77.536 -5.002 4.862 1.00 0.00 C ATOM 498 O HIS A 33 78.316 -4.766 5.784 1.00 0.00 O ATOM 499 CB HIS A 33 77.677 -7.441 4.356 1.00 0.00 C ATOM 500 CG HIS A 33 77.986 -8.464 3.298 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.063 -9.818 3.581 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.236 -8.348 1.952 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.350 -10.458 2.433 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.466 -9.608 1.409 1.00 0.00 N ATOM 0 H HIS A 33 79.872 -6.682 3.512 1.00 0.00 H new ATOM 0 HA HIS A 33 77.246 -5.893 2.926 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.318 -7.597 5.224 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.648 -7.555 4.695 1.00 0.00 H new ATOM 0 HD2 HIS A 33 78.252 -7.420 1.400 1.00 0.00 H new ATOM 0 HE1 HIS A 33 78.472 -11.528 2.350 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.678 -9.834 0.437 1.00 0.00 H new ATOM 513 N GLY A 34 76.363 -4.383 4.735 1.00 0.00 N ATOM 514 CA GLY A 34 75.938 -3.373 5.706 1.00 0.00 C ATOM 515 C GLY A 34 77.130 -2.533 6.156 1.00 0.00 C ATOM 516 O GLY A 34 77.164 -2.022 7.275 1.00 0.00 O ATOM 0 H GLY A 34 75.698 -4.558 3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.178 -2.730 5.262 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.481 -3.858 6.568 1.00 0.00 H new ATOM 520 N LEU A 35 78.107 -2.408 5.267 1.00 0.00 N ATOM 521 CA LEU A 35 79.318 -1.646 5.546 1.00 0.00 C ATOM 522 C LEU A 35 78.990 -0.338 6.263 1.00 0.00 C ATOM 523 O LEU A 35 79.492 -0.068 7.353 1.00 0.00 O ATOM 524 CB LEU A 35 80.025 -1.354 4.215 1.00 0.00 C ATOM 525 CG LEU A 35 81.220 -0.407 4.419 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.478 -1.223 4.724 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.450 0.410 3.143 1.00 0.00 C ATOM 0 H LEU A 35 78.083 -2.829 4.338 1.00 0.00 H new ATOM 0 HA LEU A 35 79.968 -2.228 6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.369 -2.288 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.319 -0.908 3.515 1.00 0.00 H new ATOM 0 HG LEU A 35 81.007 0.263 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.323 -0.549 4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.322 -1.808 5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.687 -1.894 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.297 1.081 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.659 -0.264 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.558 0.995 2.920 1.00 0.00 H new ATOM 539 N PHE A 36 78.159 0.474 5.635 1.00 0.00 N ATOM 540 CA PHE A 36 77.785 1.763 6.206 1.00 0.00 C ATOM 541 C PHE A 36 77.225 1.609 7.619 1.00 0.00 C ATOM 542 O PHE A 36 76.023 1.411 7.797 1.00 0.00 O ATOM 543 CB PHE A 36 76.742 2.447 5.312 1.00 0.00 C ATOM 544 CG PHE A 36 77.181 2.374 3.867 1.00 0.00 C ATOM 545 CD1 PHE A 36 76.974 1.201 3.129 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.801 3.477 3.263 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.386 1.131 1.794 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.212 3.405 1.928 1.00 0.00 C ATOM 549 CZ PHE A 36 78.007 2.232 1.194 1.00 0.00 C ATOM 0 H PHE A 36 77.730 0.268 4.733 1.00 0.00 H new ATOM 0 HA PHE A 36 78.684 2.376 6.262 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.773 1.963 5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.618 3.488 5.612 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.496 0.350 3.591 1.00 0.00 H new ATOM 0 HD2 PHE A 36 77.961 4.383 3.829 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.225 0.227 1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.688 4.256 1.463 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.328 2.176 0.164 1.00 0.00 H new ATOM 559 N GLY A 37 78.096 1.727 8.627 1.00 0.00 N ATOM 560 CA GLY A 37 77.652 1.622 10.018 1.00 0.00 C ATOM 561 C GLY A 37 78.620 0.824 10.892 1.00 0.00 C ATOM 562 O GLY A 37 78.667 1.023 12.106 1.00 0.00 O ATOM 0 H GLY A 37 79.095 1.892 8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.536 2.623 10.434 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.670 1.149 10.046 1.00 0.00 H new ATOM 566 N ARG A 38 79.376 -0.090 10.290 1.00 0.00 N ATOM 567 CA ARG A 38 80.312 -0.913 11.062 1.00 0.00 C ATOM 568 C ARG A 38 81.648 -0.196 11.274 1.00 0.00 C ATOM 569 O ARG A 38 82.035 0.672 10.493 1.00 0.00 O ATOM 570 CB ARG A 38 80.557 -2.248 10.348 1.00 0.00 C ATOM 571 CG ARG A 38 79.682 -3.354 10.956 1.00 0.00 C ATOM 572 CD ARG A 38 80.190 -4.729 10.498 1.00 0.00 C ATOM 573 NE ARG A 38 79.543 -5.115 9.246 1.00 0.00 N ATOM 574 CZ ARG A 38 80.184 -5.823 8.314 1.00 0.00 C ATOM 575 NH1 ARG A 38 81.426 -6.187 8.494 1.00 0.00 N ATOM 576 NH2 ARG A 38 79.565 -6.159 7.216 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.363 -0.280 9.288 1.00 0.00 H new ATOM 0 HA ARG A 38 79.862 -1.095 12.038 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.336 -2.144 9.286 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.609 -2.523 10.429 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.705 -3.292 12.044 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.644 -3.219 10.650 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.271 -4.699 10.363 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.986 -5.475 11.266 1.00 0.00 H new ATOM 0 HE ARG A 38 78.576 -4.836 9.080 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.913 -5.930 9.352 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.908 -6.728 7.776 1.00 0.00 H new ATOM 0 HH21 ARG A 38 78.594 -5.881 7.072 1.00 0.00 H new ATOM 0 HH22 ARG A 38 80.052 -6.700 6.501 1.00 0.00 H new ATOM 590 N LYS A 39 82.345 -0.580 12.343 1.00 0.00 N ATOM 591 CA LYS A 39 83.638 0.013 12.679 1.00 0.00 C ATOM 592 C LYS A 39 84.752 -0.576 11.808 1.00 0.00 C ATOM 593 O LYS A 39 84.639 -1.698 11.313 1.00 0.00 O ATOM 594 CB LYS A 39 83.934 -0.238 14.164 1.00 0.00 C ATOM 595 CG LYS A 39 85.217 0.487 14.604 1.00 0.00 C ATOM 596 CD LYS A 39 84.938 1.977 14.856 1.00 0.00 C ATOM 597 CE LYS A 39 83.959 2.144 16.026 1.00 0.00 C ATOM 598 NZ LYS A 39 84.304 3.379 16.786 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.034 -1.302 12.993 1.00 0.00 H new ATOM 0 HA LYS A 39 83.598 1.086 12.489 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.094 0.104 14.768 1.00 0.00 H new ATOM 0 HB3 LYS A 39 84.039 -1.308 14.341 1.00 0.00 H new ATOM 0 HG2 LYS A 39 85.608 0.026 15.511 1.00 0.00 H new ATOM 0 HG3 LYS A 39 85.983 0.380 13.836 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.871 2.497 15.076 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.523 2.434 13.957 1.00 0.00 H new ATOM 0 HE2 LYS A 39 82.937 2.206 15.653 1.00 0.00 H new ATOM 0 HE3 LYS A 39 84.007 1.275 16.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 83.642 3.495 17.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 85.274 3.301 17.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 84.237 4.204 16.156 1.00 0.00 H new ATOM 612 N THR A 40 85.824 0.193 11.620 1.00 0.00 N ATOM 613 CA THR A 40 86.951 -0.249 10.803 1.00 0.00 C ATOM 614 C THR A 40 87.509 -1.584 11.292 1.00 0.00 C ATOM 615 O THR A 40 87.553 -1.854 12.493 1.00 0.00 O ATOM 616 CB THR A 40 88.062 0.806 10.836 1.00 0.00 C ATOM 617 OG1 THR A 40 88.198 1.306 12.159 1.00 0.00 O ATOM 618 CG2 THR A 40 87.710 1.956 9.891 1.00 0.00 C ATOM 0 H THR A 40 85.935 1.124 12.022 1.00 0.00 H new ATOM 0 HA THR A 40 86.590 -0.381 9.783 1.00 0.00 H new ATOM 0 HB THR A 40 89.001 0.352 10.517 1.00 0.00 H new ATOM 0 HG1 THR A 40 87.579 2.054 12.291 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.502 2.704 9.917 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.606 1.574 8.876 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.771 2.411 10.206 1.00 0.00 H new ATOM 626 N GLY A 41 87.950 -2.407 10.343 1.00 0.00 N ATOM 627 CA GLY A 41 88.526 -3.708 10.666 1.00 0.00 C ATOM 628 C GLY A 41 87.638 -4.494 11.622 1.00 0.00 C ATOM 629 O GLY A 41 88.105 -4.992 12.646 1.00 0.00 O ATOM 0 H GLY A 41 87.919 -2.195 9.346 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.670 -4.280 9.749 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.510 -3.570 11.114 1.00 0.00 H new ATOM 633 N GLN A 42 86.361 -4.602 11.280 1.00 0.00 N ATOM 634 CA GLN A 42 85.413 -5.336 12.118 1.00 0.00 C ATOM 635 C GLN A 42 84.819 -6.517 11.354 1.00 0.00 C ATOM 636 O GLN A 42 84.183 -7.390 11.945 1.00 0.00 O ATOM 637 CB GLN A 42 84.291 -4.403 12.581 1.00 0.00 C ATOM 638 CG GLN A 42 83.622 -4.983 13.829 1.00 0.00 C ATOM 639 CD GLN A 42 82.285 -4.292 14.075 1.00 0.00 C ATOM 640 OE1 GLN A 42 82.211 -3.338 14.852 1.00 0.00 O ATOM 641 NE2 GLN A 42 81.218 -4.718 13.458 1.00 0.00 N ATOM 0 H GLN A 42 85.957 -4.196 10.436 1.00 0.00 H new ATOM 0 HA GLN A 42 85.948 -5.717 12.988 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.694 -3.414 12.799 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.556 -4.280 11.786 1.00 0.00 H new ATOM 0 HG2 GLN A 42 83.469 -6.055 13.704 1.00 0.00 H new ATOM 0 HG3 GLN A 42 84.272 -4.852 14.694 1.00 0.00 H new ATOM 0 HE21 GLN A 42 81.282 -5.508 12.815 1.00 0.00 H new ATOM 0 HE22 GLN A 42 80.320 -4.262 13.618 1.00 0.00 H new ATOM 650 N ALA A 43 85.030 -6.544 10.042 1.00 0.00 N ATOM 651 CA ALA A 43 84.506 -7.631 9.224 1.00 0.00 C ATOM 652 C ALA A 43 85.222 -8.944 9.559 1.00 0.00 C ATOM 653 O ALA A 43 86.434 -9.054 9.378 1.00 0.00 O ATOM 654 CB ALA A 43 84.697 -7.306 7.738 1.00 0.00 C ATOM 0 H ALA A 43 85.553 -5.835 9.528 1.00 0.00 H new ATOM 0 HA ALA A 43 83.443 -7.744 9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 43 84.303 -8.123 7.133 1.00 0.00 H new ATOM 0 HB2 ALA A 43 84.165 -6.386 7.496 1.00 0.00 H new ATOM 0 HB3 ALA A 43 85.759 -7.178 7.527 1.00 0.00 H new ATOM 660 N PRO A 44 84.507 -9.934 10.036 1.00 0.00 N ATOM 661 CA PRO A 44 85.104 -11.253 10.391 1.00 0.00 C ATOM 662 C PRO A 44 85.342 -12.128 9.161 1.00 0.00 C ATOM 663 O PRO A 44 84.396 -12.529 8.482 1.00 0.00 O ATOM 664 CB PRO A 44 84.052 -11.875 11.309 1.00 0.00 C ATOM 665 CG PRO A 44 82.753 -11.315 10.832 1.00 0.00 C ATOM 666 CD PRO A 44 83.054 -9.915 10.292 1.00 0.00 C ATOM 0 HA PRO A 44 86.085 -11.153 10.856 1.00 0.00 H new ATOM 0 HB2 PRO A 44 84.062 -12.963 11.243 1.00 0.00 H new ATOM 0 HB3 PRO A 44 84.235 -11.617 12.352 1.00 0.00 H new ATOM 0 HG2 PRO A 44 82.321 -11.946 10.055 1.00 0.00 H new ATOM 0 HG3 PRO A 44 82.028 -11.269 11.645 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.491 -9.709 9.381 1.00 0.00 H new ATOM 0 HD3 PRO A 44 82.786 -9.143 11.014 1.00 0.00 H new ATOM 674 N GLY A 45 86.608 -12.419 8.879 1.00 0.00 N ATOM 675 CA GLY A 45 86.951 -13.248 7.729 1.00 0.00 C ATOM 676 C GLY A 45 88.389 -13.001 7.283 1.00 0.00 C ATOM 677 O GLY A 45 89.293 -13.768 7.617 1.00 0.00 O ATOM 0 H GLY A 45 87.407 -12.097 9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 45 86.822 -14.300 7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 45 86.270 -13.033 6.906 1.00 0.00 H new ATOM 681 N PHE A 46 88.592 -11.930 6.523 1.00 0.00 N ATOM 682 CA PHE A 46 89.924 -11.593 6.032 1.00 0.00 C ATOM 683 C PHE A 46 90.810 -11.100 7.172 1.00 0.00 C ATOM 684 O PHE A 46 90.320 -10.573 8.170 1.00 0.00 O ATOM 685 CB PHE A 46 89.822 -10.508 4.954 1.00 0.00 C ATOM 686 CG PHE A 46 91.056 -10.538 4.083 1.00 0.00 C ATOM 687 CD1 PHE A 46 91.085 -11.343 2.937 1.00 0.00 C ATOM 688 CD2 PHE A 46 92.170 -9.759 4.419 1.00 0.00 C ATOM 689 CE1 PHE A 46 92.228 -11.369 2.129 1.00 0.00 C ATOM 690 CE2 PHE A 46 93.313 -9.786 3.611 1.00 0.00 C ATOM 691 CZ PHE A 46 93.342 -10.591 2.466 1.00 0.00 C ATOM 0 H PHE A 46 87.857 -11.284 6.235 1.00 0.00 H new ATOM 0 HA PHE A 46 90.371 -12.491 5.605 1.00 0.00 H new ATOM 0 HB2 PHE A 46 88.932 -10.669 4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 46 89.717 -9.528 5.420 1.00 0.00 H new ATOM 0 HD1 PHE A 46 90.226 -11.943 2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 46 92.147 -9.137 5.302 1.00 0.00 H new ATOM 0 HE1 PHE A 46 92.250 -11.990 1.245 1.00 0.00 H new ATOM 0 HE2 PHE A 46 94.172 -9.186 3.871 1.00 0.00 H new ATOM 0 HZ PHE A 46 94.224 -10.612 1.843 1.00 0.00 H new ATOM 701 N THR A 47 92.119 -11.275 7.015 1.00 0.00 N ATOM 702 CA THR A 47 93.067 -10.843 8.036 1.00 0.00 C ATOM 703 C THR A 47 93.259 -9.330 7.982 1.00 0.00 C ATOM 704 O THR A 47 94.200 -8.836 7.363 1.00 0.00 O ATOM 705 CB THR A 47 94.413 -11.538 7.828 1.00 0.00 C ATOM 706 OG1 THR A 47 94.207 -12.939 7.705 1.00 0.00 O ATOM 707 CG2 THR A 47 95.326 -11.257 9.022 1.00 0.00 C ATOM 0 H THR A 47 92.545 -11.710 6.196 1.00 0.00 H new ATOM 0 HA THR A 47 92.667 -11.113 9.013 1.00 0.00 H new ATOM 0 HB THR A 47 94.881 -11.158 6.920 1.00 0.00 H new ATOM 0 HG1 THR A 47 95.069 -13.386 7.570 1.00 0.00 H new ATOM 0 HG21 THR A 47 96.285 -11.753 8.872 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.484 -10.182 9.114 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.861 -11.635 9.933 1.00 0.00 H new ATOM 715 N TYR A 48 92.357 -8.603 8.631 1.00 0.00 N ATOM 716 CA TYR A 48 92.431 -7.146 8.648 1.00 0.00 C ATOM 717 C TYR A 48 93.746 -6.680 9.263 1.00 0.00 C ATOM 718 O TYR A 48 94.345 -7.379 10.081 1.00 0.00 O ATOM 719 CB TYR A 48 91.252 -6.575 9.446 1.00 0.00 C ATOM 720 CG TYR A 48 90.081 -6.352 8.523 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.939 -5.127 7.868 1.00 0.00 C ATOM 722 CD2 TYR A 48 89.139 -7.367 8.324 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.856 -4.911 7.016 1.00 0.00 C ATOM 724 CE2 TYR A 48 88.053 -7.153 7.468 1.00 0.00 C ATOM 725 CZ TYR A 48 87.911 -5.923 6.814 1.00 0.00 C ATOM 726 OH TYR A 48 86.840 -5.706 5.975 1.00 0.00 O ATOM 0 H TYR A 48 91.571 -8.995 9.149 1.00 0.00 H new ATOM 0 HA TYR A 48 92.382 -6.785 7.621 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.973 -7.262 10.245 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.540 -5.636 9.919 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.669 -4.346 8.021 1.00 0.00 H new ATOM 0 HD2 TYR A 48 89.250 -8.314 8.830 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.747 -3.962 6.512 1.00 0.00 H new ATOM 0 HE2 TYR A 48 87.325 -7.936 7.312 1.00 0.00 H new ATOM 0 HH TYR A 48 86.163 -5.171 6.440 1.00 0.00 H new ATOM 736 N THR A 49 94.186 -5.494 8.859 1.00 0.00 N ATOM 737 CA THR A 49 95.432 -4.935 9.372 1.00 0.00 C ATOM 738 C THR A 49 95.190 -4.223 10.700 1.00 0.00 C ATOM 739 O THR A 49 94.090 -3.736 10.961 1.00 0.00 O ATOM 740 CB THR A 49 96.019 -3.950 8.359 1.00 0.00 C ATOM 741 OG1 THR A 49 95.145 -2.837 8.223 1.00 0.00 O ATOM 742 CG2 THR A 49 96.180 -4.644 7.006 1.00 0.00 C ATOM 0 H THR A 49 93.702 -4.904 8.182 1.00 0.00 H new ATOM 0 HA THR A 49 96.137 -5.750 9.533 1.00 0.00 H new ATOM 0 HB THR A 49 96.993 -3.607 8.706 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.672 -2.013 8.159 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.598 -3.942 6.285 1.00 0.00 H new ATOM 0 HG22 THR A 49 96.850 -5.497 7.112 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.207 -4.988 6.655 1.00 0.00 H new ATOM 750 N ASP A 50 96.222 -4.168 11.535 1.00 0.00 N ATOM 751 CA ASP A 50 96.105 -3.514 12.833 1.00 0.00 C ATOM 752 C ASP A 50 95.468 -2.136 12.687 1.00 0.00 C ATOM 753 O ASP A 50 94.627 -1.743 13.496 1.00 0.00 O ATOM 754 CB ASP A 50 97.484 -3.379 13.480 1.00 0.00 C ATOM 755 CG ASP A 50 98.308 -4.635 13.217 1.00 0.00 C ATOM 756 OD1 ASP A 50 97.717 -5.694 13.090 1.00 0.00 O1- ATOM 757 OD2 ASP A 50 99.521 -4.519 13.146 1.00 0.00 O ATOM 0 H ASP A 50 97.141 -4.565 11.339 1.00 0.00 H new ATOM 0 HA ASP A 50 95.467 -4.128 13.469 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.999 -2.506 13.080 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.378 -3.222 14.553 1.00 0.00 H new ATOM 762 N ALA A 51 95.870 -1.407 11.651 1.00 0.00 N ATOM 763 CA ALA A 51 95.323 -0.077 11.415 1.00 0.00 C ATOM 764 C ALA A 51 93.802 -0.126 11.402 1.00 0.00 C ATOM 765 O ALA A 51 93.144 0.572 12.169 1.00 0.00 O ATOM 766 CB ALA A 51 95.834 0.469 10.083 1.00 0.00 C ATOM 0 H ALA A 51 96.565 -1.711 10.969 1.00 0.00 H new ATOM 0 HA ALA A 51 95.648 0.582 12.221 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.420 1.463 9.915 1.00 0.00 H new ATOM 0 HB2 ALA A 51 96.922 0.528 10.107 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.525 -0.194 9.275 1.00 0.00 H new ATOM 772 N ASN A 52 93.247 -0.964 10.533 1.00 0.00 N ATOM 773 CA ASN A 52 91.798 -1.103 10.445 1.00 0.00 C ATOM 774 C ASN A 52 91.262 -1.717 11.736 1.00 0.00 C ATOM 775 O ASN A 52 90.107 -1.508 12.109 1.00 0.00 O ATOM 776 CB ASN A 52 91.430 -1.995 9.255 1.00 0.00 C ATOM 777 CG ASN A 52 91.362 -1.170 7.974 1.00 0.00 C ATOM 778 OD1 ASN A 52 91.961 -0.097 7.891 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.662 -1.612 6.965 1.00 0.00 N ATOM 0 H ASN A 52 93.772 -1.552 9.886 1.00 0.00 H new ATOM 0 HA ASN A 52 91.352 -0.119 10.302 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.169 -2.789 9.145 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.469 -2.477 9.437 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.610 -1.068 6.104 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.167 -2.501 7.038 1.00 0.00 H new ATOM 786 N LYS A 53 92.121 -2.472 12.412 1.00 0.00 N ATOM 787 CA LYS A 53 91.758 -3.120 13.658 1.00 0.00 C ATOM 788 C LYS A 53 91.855 -2.132 14.809 1.00 0.00 C ATOM 789 O LYS A 53 91.328 -2.368 15.895 1.00 0.00 O ATOM 790 CB LYS A 53 92.714 -4.289 13.908 1.00 0.00 C ATOM 791 CG LYS A 53 91.957 -5.442 14.548 1.00 0.00 C ATOM 792 CD LYS A 53 92.951 -6.509 15.010 1.00 0.00 C ATOM 793 CE LYS A 53 92.206 -7.815 15.294 1.00 0.00 C ATOM 794 NZ LYS A 53 91.770 -8.428 14.008 1.00 0.00 N1+ ATOM 0 H LYS A 53 93.080 -2.649 12.112 1.00 0.00 H new ATOM 0 HA LYS A 53 90.733 -3.484 13.591 1.00 0.00 H new ATOM 0 HB2 LYS A 53 93.162 -4.612 12.968 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.530 -3.972 14.558 1.00 0.00 H new ATOM 0 HG2 LYS A 53 91.373 -5.082 15.395 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.253 -5.870 13.834 1.00 0.00 H new ATOM 0 HD2 LYS A 53 93.709 -6.670 14.244 1.00 0.00 H new ATOM 0 HD3 LYS A 53 93.471 -6.172 15.907 1.00 0.00 H new ATOM 0 HE2 LYS A 53 92.853 -8.504 15.837 1.00 0.00 H new ATOM 0 HE3 LYS A 53 91.341 -7.622 15.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 91.626 -9.449 14.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 90.879 -7.990 13.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 92.501 -8.273 13.284 1.00 0.00 H new ATOM 808 N ASN A 54 92.549 -1.032 14.561 1.00 0.00 N ATOM 809 CA ASN A 54 92.732 -0.012 15.580 1.00 0.00 C ATOM 810 C ASN A 54 91.404 0.638 15.944 1.00 0.00 C ATOM 811 O ASN A 54 91.271 1.264 16.996 1.00 0.00 O ATOM 812 CB ASN A 54 93.703 1.049 15.058 1.00 0.00 C ATOM 813 CG ASN A 54 92.948 2.192 14.380 1.00 0.00 C ATOM 814 OD1 ASN A 54 93.307 3.357 14.547 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.921 1.928 13.621 1.00 0.00 N ATOM 0 H ASN A 54 92.993 -0.824 13.667 1.00 0.00 H new ATOM 0 HA ASN A 54 93.138 -0.479 16.477 1.00 0.00 H new ATOM 0 HB2 ASN A 54 94.299 1.440 15.883 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.397 0.596 14.350 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.415 2.687 13.165 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.624 0.962 13.483 1.00 0.00 H new ATOM 822 N LYS A 55 90.433 0.485 15.062 1.00 0.00 N ATOM 823 CA LYS A 55 89.110 1.062 15.286 1.00 0.00 C ATOM 824 C LYS A 55 89.207 2.579 15.421 1.00 0.00 C ATOM 825 O LYS A 55 88.920 3.135 16.480 1.00 0.00 O ATOM 826 CB LYS A 55 88.486 0.482 16.559 1.00 0.00 C ATOM 827 CG LYS A 55 88.568 -1.048 16.531 1.00 0.00 C ATOM 828 CD LYS A 55 87.469 -1.641 17.421 1.00 0.00 C ATOM 829 CE LYS A 55 87.788 -3.106 17.733 1.00 0.00 C ATOM 830 NZ LYS A 55 88.681 -3.176 18.925 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.529 -0.030 14.187 1.00 0.00 H new ATOM 0 HA LYS A 55 88.482 0.816 14.430 1.00 0.00 H new ATOM 0 HB2 LYS A 55 89.006 0.867 17.437 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.446 0.798 16.641 1.00 0.00 H new ATOM 0 HG2 LYS A 55 88.456 -1.409 15.509 1.00 0.00 H new ATOM 0 HG3 LYS A 55 89.548 -1.376 16.879 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.391 -1.071 18.347 1.00 0.00 H new ATOM 0 HD3 LYS A 55 86.504 -1.568 16.920 1.00 0.00 H new ATOM 0 HE2 LYS A 55 86.867 -3.658 17.922 1.00 0.00 H new ATOM 0 HE3 LYS A 55 88.270 -3.575 16.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 88.898 -4.170 19.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 89.564 -2.663 18.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 88.204 -2.743 19.742 1.00 0.00 H new ATOM 844 N GLY A 56 89.623 3.241 14.347 1.00 0.00 N ATOM 845 CA GLY A 56 89.763 4.694 14.365 1.00 0.00 C ATOM 846 C GLY A 56 88.445 5.386 14.033 1.00 0.00 C ATOM 847 O GLY A 56 88.081 6.377 14.664 1.00 0.00 O ATOM 0 H GLY A 56 89.867 2.800 13.460 1.00 0.00 H new ATOM 0 HA2 GLY A 56 90.106 5.015 15.348 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.525 4.996 13.647 1.00 0.00 H new ATOM 851 N ILE A 57 87.736 4.863 13.038 1.00 0.00 N ATOM 852 CA ILE A 57 86.461 5.449 12.633 1.00 0.00 C ATOM 853 C ILE A 57 85.502 4.369 12.148 1.00 0.00 C ATOM 854 O ILE A 57 85.828 3.183 12.164 1.00 0.00 O ATOM 855 CB ILE A 57 86.686 6.480 11.524 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.310 5.797 10.291 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.632 7.569 12.036 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.212 5.324 9.329 1.00 0.00 C ATOM 0 H ILE A 57 88.018 4.043 12.501 1.00 0.00 H new ATOM 0 HA ILE A 57 86.019 5.943 13.499 1.00 0.00 H new ATOM 0 HB ILE A 57 85.731 6.922 11.241 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.975 6.493 9.780 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.917 4.948 10.606 1.00 0.00 H new ATOM 0 HG21 ILE A 57 87.796 8.307 11.251 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.189 8.056 12.905 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.585 7.120 12.318 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.669 4.844 8.463 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.564 4.612 9.839 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.623 6.180 9.000 1.00 0.00 H new ATOM 870 N THR A 58 84.315 4.792 11.720 1.00 0.00 N ATOM 871 CA THR A 58 83.304 3.856 11.234 1.00 0.00 C ATOM 872 C THR A 58 82.953 4.146 9.777 1.00 0.00 C ATOM 873 O THR A 58 82.853 5.303 9.370 1.00 0.00 O ATOM 874 CB THR A 58 82.047 3.957 12.109 1.00 0.00 C ATOM 875 OG1 THR A 58 82.201 3.124 13.249 1.00 0.00 O ATOM 876 CG2 THR A 58 80.810 3.515 11.319 1.00 0.00 C ATOM 0 H THR A 58 84.030 5.771 11.700 1.00 0.00 H new ATOM 0 HA THR A 58 83.707 2.845 11.292 1.00 0.00 H new ATOM 0 HB THR A 58 81.914 4.993 12.420 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.401 3.187 13.811 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.927 3.592 11.953 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.687 4.156 10.446 1.00 0.00 H new ATOM 0 HG23 THR A 58 80.935 2.482 10.995 1.00 0.00 H new ATOM 884 N TRP A 59 82.760 3.082 9.000 1.00 0.00 N ATOM 885 CA TRP A 59 82.411 3.233 7.594 1.00 0.00 C ATOM 886 C TRP A 59 81.061 3.929 7.455 1.00 0.00 C ATOM 887 O TRP A 59 80.118 3.627 8.185 1.00 0.00 O ATOM 888 CB TRP A 59 82.340 1.864 6.909 1.00 0.00 C ATOM 889 CG TRP A 59 83.474 1.000 7.365 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.758 1.401 7.486 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.446 -0.405 7.755 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.520 0.330 7.922 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.754 -0.801 8.111 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.421 -1.364 7.838 1.00 0.00 C ATOM 895 CZ2 TRP A 59 85.035 -2.101 8.535 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.702 -2.673 8.261 1.00 0.00 C ATOM 897 CH2 TRP A 59 84.006 -3.039 8.612 1.00 0.00 C ATOM 0 H TRP A 59 82.839 2.116 9.318 1.00 0.00 H new ATOM 0 HA TRP A 59 83.183 3.837 7.117 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.390 1.382 7.140 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.380 1.988 5.827 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.129 2.393 7.277 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.526 0.373 8.084 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.410 -1.092 7.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 86.044 -2.379 8.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.907 -3.402 8.316 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.215 -4.046 8.942 1.00 0.00 H new ATOM 908 N LYS A 60 80.980 4.856 6.512 1.00 0.00 N ATOM 909 CA LYS A 60 79.747 5.593 6.271 1.00 0.00 C ATOM 910 C LYS A 60 79.723 6.090 4.832 1.00 0.00 C ATOM 911 O LYS A 60 80.462 5.586 3.990 1.00 0.00 O ATOM 912 CB LYS A 60 79.644 6.780 7.237 1.00 0.00 C ATOM 913 CG LYS A 60 79.500 6.259 8.671 1.00 0.00 C ATOM 914 CD LYS A 60 79.039 7.391 9.598 1.00 0.00 C ATOM 915 CE LYS A 60 80.240 8.250 9.997 1.00 0.00 C ATOM 916 NZ LYS A 60 81.212 7.422 10.766 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.754 5.116 5.900 1.00 0.00 H new ATOM 0 HA LYS A 60 78.897 4.931 6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.531 7.408 7.154 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.787 7.402 6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.781 5.440 8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.452 5.859 9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.292 8.005 9.095 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.565 6.976 10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 60 80.719 8.659 9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 60 79.911 9.096 10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 81.816 8.042 11.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 80.695 6.767 11.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 81.804 6.879 10.106 1.00 0.00 H new ATOM 930 N GLU A 61 78.877 7.072 4.549 1.00 0.00 N ATOM 931 CA GLU A 61 78.788 7.609 3.197 1.00 0.00 C ATOM 932 C GLU A 61 79.972 8.528 2.903 1.00 0.00 C ATOM 933 O GLU A 61 80.733 8.296 1.963 1.00 0.00 O ATOM 934 CB GLU A 61 77.481 8.389 3.032 1.00 0.00 C ATOM 935 CG GLU A 61 77.341 8.851 1.580 1.00 0.00 C ATOM 936 CD GLU A 61 76.010 9.571 1.389 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.668 10.378 2.239 1.00 0.00 O ATOM 938 OE2 GLU A 61 75.353 9.306 0.396 1.00 0.00 O1- ATOM 0 H GLU A 61 78.251 7.508 5.226 1.00 0.00 H new ATOM 0 HA GLU A 61 78.808 6.776 2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.634 7.762 3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.472 9.250 3.701 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.164 9.516 1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 61 77.400 7.994 0.909 1.00 0.00 H new ATOM 945 N GLU A 62 80.122 9.572 3.713 1.00 0.00 N ATOM 946 CA GLU A 62 81.214 10.522 3.523 1.00 0.00 C ATOM 947 C GLU A 62 82.559 9.883 3.845 1.00 0.00 C ATOM 948 O GLU A 62 83.534 10.070 3.117 1.00 0.00 O ATOM 949 CB GLU A 62 81.002 11.745 4.417 1.00 0.00 C ATOM 950 CG GLU A 62 79.607 12.322 4.172 1.00 0.00 C ATOM 951 CD GLU A 62 79.433 13.616 4.960 1.00 0.00 C ATOM 952 OE1 GLU A 62 80.354 14.415 4.959 1.00 0.00 O1- ATOM 953 OE2 GLU A 62 78.380 13.787 5.553 1.00 0.00 O ATOM 0 H GLU A 62 79.508 9.781 4.500 1.00 0.00 H new ATOM 0 HA GLU A 62 81.218 10.828 2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.113 11.466 5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 62 81.761 12.499 4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.465 12.512 3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 62 78.848 11.599 4.471 1.00 0.00 H new ATOM 960 N THR A 63 82.611 9.126 4.934 1.00 0.00 N ATOM 961 CA THR A 63 83.850 8.469 5.325 1.00 0.00 C ATOM 962 C THR A 63 84.383 7.640 4.169 1.00 0.00 C ATOM 963 O THR A 63 85.592 7.561 3.951 1.00 0.00 O ATOM 964 CB THR A 63 83.612 7.565 6.534 1.00 0.00 C ATOM 965 OG1 THR A 63 82.660 6.569 6.199 1.00 0.00 O ATOM 966 CG2 THR A 63 83.091 8.397 7.700 1.00 0.00 C ATOM 0 H THR A 63 81.820 8.954 5.555 1.00 0.00 H new ATOM 0 HA THR A 63 84.581 9.233 5.591 1.00 0.00 H new ATOM 0 HB THR A 63 84.550 7.089 6.821 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.123 5.777 5.853 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.922 7.751 8.561 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.824 9.161 7.958 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.154 8.875 7.416 1.00 0.00 H new ATOM 974 N LEU A 64 83.468 7.030 3.428 1.00 0.00 N ATOM 975 CA LEU A 64 83.855 6.213 2.288 1.00 0.00 C ATOM 976 C LEU A 64 84.442 7.095 1.190 1.00 0.00 C ATOM 977 O LEU A 64 85.381 6.698 0.506 1.00 0.00 O ATOM 978 CB LEU A 64 82.640 5.444 1.747 1.00 0.00 C ATOM 979 CG LEU A 64 82.750 3.951 2.092 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.423 3.257 1.764 1.00 0.00 C ATOM 981 CD2 LEU A 64 83.882 3.306 1.274 1.00 0.00 C ATOM 0 H LEU A 64 82.463 7.085 3.594 1.00 0.00 H new ATOM 0 HA LEU A 64 84.609 5.496 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.724 5.855 2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.575 5.570 0.666 1.00 0.00 H new ATOM 0 HG LEU A 64 82.970 3.842 3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.497 2.197 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.622 3.709 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.205 3.371 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 64 83.954 2.247 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.669 3.414 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.826 3.799 1.507 1.00 0.00 H new ATOM 993 N MET A 65 83.880 8.292 1.022 1.00 0.00 N ATOM 994 CA MET A 65 84.369 9.205 -0.009 1.00 0.00 C ATOM 995 C MET A 65 85.852 9.499 0.188 1.00 0.00 C ATOM 996 O MET A 65 86.662 9.260 -0.706 1.00 0.00 O ATOM 997 CB MET A 65 83.588 10.518 0.028 1.00 0.00 C ATOM 998 CG MET A 65 82.111 10.241 -0.239 1.00 0.00 C ATOM 999 SD MET A 65 81.153 11.747 0.061 1.00 0.00 S ATOM 1000 CE MET A 65 80.728 12.092 -1.660 1.00 0.00 C ATOM 0 H MET A 65 83.100 8.647 1.575 1.00 0.00 H new ATOM 0 HA MET A 65 84.226 8.724 -0.976 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.709 10.998 0.999 1.00 0.00 H new ATOM 0 HB3 MET A 65 83.980 11.208 -0.719 1.00 0.00 H new ATOM 0 HG2 MET A 65 81.972 9.907 -1.267 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.758 9.437 0.407 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.125 12.998 -1.711 1.00 0.00 H new ATOM 0 HE2 MET A 65 81.641 12.230 -2.239 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.162 11.256 -2.070 1.00 0.00 H new ATOM 1010 N GLU A 66 86.199 10.013 1.362 1.00 0.00 N ATOM 1011 CA GLU A 66 87.590 10.331 1.661 1.00 0.00 C ATOM 1012 C GLU A 66 88.449 9.079 1.540 1.00 0.00 C ATOM 1013 O GLU A 66 89.627 9.147 1.190 1.00 0.00 O ATOM 1014 CB GLU A 66 87.703 10.895 3.081 1.00 0.00 C ATOM 1015 CG GLU A 66 86.957 12.238 3.172 1.00 0.00 C ATOM 1016 CD GLU A 66 87.938 13.370 3.468 1.00 0.00 C ATOM 1017 OE1 GLU A 66 88.527 13.353 4.536 1.00 0.00 O ATOM 1018 OE2 GLU A 66 88.084 14.237 2.621 1.00 0.00 O1- ATOM 0 H GLU A 66 85.543 10.217 2.116 1.00 0.00 H new ATOM 0 HA GLU A 66 87.941 11.077 0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.285 10.188 3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.752 11.033 3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.435 12.436 2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 66 86.200 12.189 3.955 1.00 0.00 H new ATOM 1025 N TYR A 67 87.845 7.937 1.835 1.00 0.00 N ATOM 1026 CA TYR A 67 88.547 6.663 1.760 1.00 0.00 C ATOM 1027 C TYR A 67 88.657 6.191 0.313 1.00 0.00 C ATOM 1028 O TYR A 67 89.570 5.444 -0.039 1.00 0.00 O ATOM 1029 CB TYR A 67 87.794 5.620 2.592 1.00 0.00 C ATOM 1030 CG TYR A 67 88.339 4.238 2.319 1.00 0.00 C ATOM 1031 CD1 TYR A 67 87.803 3.469 1.278 1.00 0.00 C ATOM 1032 CD2 TYR A 67 89.372 3.723 3.110 1.00 0.00 C ATOM 1033 CE1 TYR A 67 88.303 2.186 1.028 1.00 0.00 C ATOM 1034 CE2 TYR A 67 89.872 2.439 2.859 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.337 1.670 1.819 1.00 0.00 C ATOM 1036 OH TYR A 67 89.829 0.406 1.572 1.00 0.00 O ATOM 0 H TYR A 67 86.871 7.866 2.128 1.00 0.00 H new ATOM 0 HA TYR A 67 89.555 6.792 2.155 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.890 5.853 3.653 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.731 5.653 2.353 1.00 0.00 H new ATOM 0 HD1 TYR A 67 87.004 3.866 0.669 1.00 0.00 H new ATOM 0 HD2 TYR A 67 89.784 4.315 3.914 1.00 0.00 H new ATOM 0 HE1 TYR A 67 87.891 1.593 0.224 1.00 0.00 H new ATOM 0 HE2 TYR A 67 90.671 2.042 3.468 1.00 0.00 H new ATOM 0 HH TYR A 67 89.768 0.213 0.613 1.00 0.00 H new ATOM 1046 N LEU A 68 87.712 6.619 -0.516 1.00 0.00 N ATOM 1047 CA LEU A 68 87.697 6.217 -1.918 1.00 0.00 C ATOM 1048 C LEU A 68 88.721 7.000 -2.740 1.00 0.00 C ATOM 1049 O LEU A 68 89.154 6.538 -3.795 1.00 0.00 O ATOM 1050 CB LEU A 68 86.293 6.426 -2.506 1.00 0.00 C ATOM 1051 CG LEU A 68 85.398 5.220 -2.187 1.00 0.00 C ATOM 1052 CD1 LEU A 68 83.998 5.450 -2.751 1.00 0.00 C ATOM 1053 CD2 LEU A 68 85.970 3.951 -2.820 1.00 0.00 C ATOM 0 H LEU A 68 86.950 7.241 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 68 87.964 5.161 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.851 7.334 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.360 6.563 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 68 85.354 5.104 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.368 4.591 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.568 6.346 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.058 5.578 -3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.325 3.105 -2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.025 4.077 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 68 86.969 3.766 -2.425 1.00 0.00 H new ATOM 1065 N GLU A 69 89.110 8.178 -2.259 1.00 0.00 N ATOM 1066 CA GLU A 69 90.087 8.992 -2.981 1.00 0.00 C ATOM 1067 C GLU A 69 91.482 8.793 -2.400 1.00 0.00 C ATOM 1068 O GLU A 69 92.472 9.266 -2.957 1.00 0.00 O ATOM 1069 CB GLU A 69 89.706 10.473 -2.910 1.00 0.00 C ATOM 1070 CG GLU A 69 89.374 10.861 -1.465 1.00 0.00 C ATOM 1071 CD GLU A 69 89.699 12.333 -1.229 1.00 0.00 C ATOM 1072 OE1 GLU A 69 89.716 13.079 -2.195 1.00 0.00 O1- ATOM 1073 OE2 GLU A 69 89.928 12.693 -0.085 1.00 0.00 O ATOM 0 H GLU A 69 88.771 8.586 -1.388 1.00 0.00 H new ATOM 0 HA GLU A 69 90.089 8.675 -4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 69 90.528 11.086 -3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.848 10.667 -3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.319 10.677 -1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 69 89.943 10.240 -0.774 1.00 0.00 H new ATOM 1080 N ASN A 70 91.549 8.082 -1.283 1.00 0.00 N ATOM 1081 CA ASN A 70 92.827 7.811 -0.633 1.00 0.00 C ATOM 1082 C ASN A 70 92.665 6.730 0.433 1.00 0.00 C ATOM 1083 O ASN A 70 92.820 6.987 1.626 1.00 0.00 O ATOM 1084 CB ASN A 70 93.384 9.089 0.001 1.00 0.00 C ATOM 1085 CG ASN A 70 92.439 9.609 1.081 1.00 0.00 C ATOM 1086 OD1 ASN A 70 91.570 10.434 0.803 1.00 0.00 O ATOM 1087 ND2 ASN A 70 92.561 9.179 2.308 1.00 0.00 N ATOM 0 H ASN A 70 90.739 7.683 -0.809 1.00 0.00 H new ATOM 0 HA ASN A 70 93.528 7.457 -1.389 1.00 0.00 H new ATOM 0 HB2 ASN A 70 94.364 8.889 0.433 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.523 9.851 -0.766 1.00 0.00 H new ATOM 0 HD21 ASN A 70 91.936 9.527 3.035 1.00 0.00 H new ATOM 0 HD22 ASN A 70 93.281 8.495 2.539 1.00 0.00 H new ATOM 1094 N PRO A 71 92.350 5.533 0.018 1.00 0.00 N ATOM 1095 CA PRO A 71 92.152 4.380 0.944 1.00 0.00 C ATOM 1096 C PRO A 71 93.312 4.204 1.925 1.00 0.00 C ATOM 1097 O PRO A 71 93.108 3.830 3.081 1.00 0.00 O ATOM 1098 CB PRO A 71 92.050 3.172 0.005 1.00 0.00 C ATOM 1099 CG PRO A 71 91.601 3.725 -1.308 1.00 0.00 C ATOM 1100 CD PRO A 71 92.151 5.148 -1.390 1.00 0.00 C ATOM 0 HA PRO A 71 91.273 4.519 1.574 1.00 0.00 H new ATOM 0 HB2 PRO A 71 93.011 2.666 -0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.340 2.438 0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.973 3.117 -2.133 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.513 3.725 -1.377 1.00 0.00 H new ATOM 0 HD2 PRO A 71 93.086 5.183 -1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.453 5.818 -1.892 1.00 0.00 H new ATOM 1108 N LYS A 72 94.525 4.460 1.452 1.00 0.00 N ATOM 1109 CA LYS A 72 95.711 4.306 2.289 1.00 0.00 C ATOM 1110 C LYS A 72 95.891 5.485 3.241 1.00 0.00 C ATOM 1111 O LYS A 72 96.145 5.298 4.430 1.00 0.00 O ATOM 1112 CB LYS A 72 96.954 4.185 1.404 1.00 0.00 C ATOM 1113 CG LYS A 72 98.181 3.865 2.276 1.00 0.00 C ATOM 1114 CD LYS A 72 98.787 2.518 1.859 1.00 0.00 C ATOM 1115 CE LYS A 72 97.887 1.375 2.337 1.00 0.00 C ATOM 1116 NZ LYS A 72 97.710 1.467 3.813 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.714 4.773 0.500 1.00 0.00 H new ATOM 0 HA LYS A 72 95.578 3.403 2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.809 3.400 0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.116 5.115 0.858 1.00 0.00 H new ATOM 0 HG2 LYS A 72 98.925 4.655 2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 72 97.892 3.833 3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 72 98.897 2.478 0.775 1.00 0.00 H new ATOM 0 HD3 LYS A 72 99.785 2.410 2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 72 96.918 1.428 1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.329 0.415 2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 97.355 0.560 4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 98.624 1.685 4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 97.028 2.220 4.035 1.00 0.00 H new ATOM 1130 N LYS A 73 95.782 6.698 2.711 1.00 0.00 N ATOM 1131 CA LYS A 73 95.963 7.892 3.530 1.00 0.00 C ATOM 1132 C LYS A 73 94.879 8.005 4.602 1.00 0.00 C ATOM 1133 O LYS A 73 95.110 8.578 5.666 1.00 0.00 O ATOM 1134 CB LYS A 73 95.950 9.144 2.645 1.00 0.00 C ATOM 1135 CG LYS A 73 96.846 10.224 3.263 1.00 0.00 C ATOM 1136 CD LYS A 73 96.677 11.541 2.493 1.00 0.00 C ATOM 1137 CE LYS A 73 95.510 12.341 3.080 1.00 0.00 C ATOM 1138 NZ LYS A 73 95.390 13.641 2.361 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.572 6.881 1.730 1.00 0.00 H new ATOM 0 HA LYS A 73 96.927 7.809 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.301 8.896 1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 73 94.931 9.518 2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 73 96.586 10.369 4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 73 97.888 9.906 3.234 1.00 0.00 H new ATOM 0 HD2 LYS A 73 97.595 12.126 2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 73 96.494 11.335 1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 73 94.583 11.775 2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 73 95.672 12.515 4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 94.598 14.186 2.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 96.272 14.181 2.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 95.216 13.464 1.351 1.00 0.00 H new ATOM 1152 N TYR A 74 93.696 7.466 4.319 1.00 0.00 N ATOM 1153 CA TYR A 74 92.599 7.532 5.280 1.00 0.00 C ATOM 1154 C TYR A 74 92.930 6.707 6.522 1.00 0.00 C ATOM 1155 O TYR A 74 92.947 7.228 7.637 1.00 0.00 O ATOM 1156 CB TYR A 74 91.304 7.022 4.634 1.00 0.00 C ATOM 1157 CG TYR A 74 90.109 7.701 5.267 1.00 0.00 C ATOM 1158 CD1 TYR A 74 89.962 9.092 5.174 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.147 6.944 5.948 1.00 0.00 C ATOM 1160 CE1 TYR A 74 88.859 9.721 5.760 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.043 7.574 6.534 1.00 0.00 C ATOM 1162 CZ TYR A 74 87.899 8.964 6.440 1.00 0.00 C ATOM 1163 OH TYR A 74 86.811 9.585 7.018 1.00 0.00 O ATOM 0 H TYR A 74 93.474 6.986 3.447 1.00 0.00 H new ATOM 0 HA TYR A 74 92.459 8.570 5.581 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.320 7.220 3.562 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.227 5.942 4.758 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.701 9.679 4.649 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.257 5.872 6.021 1.00 0.00 H new ATOM 0 HE1 TYR A 74 88.748 10.793 5.687 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.302 6.988 7.058 1.00 0.00 H new ATOM 0 HH TYR A 74 86.242 8.914 7.449 1.00 0.00 H new ATOM 1173 N ILE A 75 93.206 5.421 6.320 1.00 0.00 N ATOM 1174 CA ILE A 75 93.552 4.532 7.426 1.00 0.00 C ATOM 1175 C ILE A 75 94.863 3.810 7.121 1.00 0.00 C ATOM 1176 O ILE A 75 94.874 2.610 6.846 1.00 0.00 O ATOM 1177 CB ILE A 75 92.433 3.508 7.649 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.119 4.248 7.927 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.779 2.616 8.847 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.939 3.299 7.713 1.00 0.00 C ATOM 0 H ILE A 75 93.197 4.972 5.404 1.00 0.00 H new ATOM 0 HA ILE A 75 93.673 5.126 8.332 1.00 0.00 H new ATOM 0 HB ILE A 75 92.326 2.888 6.759 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.113 4.627 8.949 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.029 5.110 7.267 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.981 1.890 9.002 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.714 2.092 8.652 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.888 3.232 9.740 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.007 3.827 7.911 1.00 0.00 H new ATOM 0 HD12 ILE A 75 89.942 2.942 6.683 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.027 2.451 8.392 1.00 0.00 H new ATOM 1192 N PRO A 76 95.960 4.522 7.154 1.00 0.00 N ATOM 1193 CA PRO A 76 97.305 3.949 6.867 1.00 0.00 C ATOM 1194 C PRO A 76 97.484 2.563 7.477 1.00 0.00 C ATOM 1195 O PRO A 76 97.115 2.329 8.628 1.00 0.00 O ATOM 1196 CB PRO A 76 98.258 4.963 7.496 1.00 0.00 C ATOM 1197 CG PRO A 76 97.544 6.272 7.403 1.00 0.00 C ATOM 1198 CD PRO A 76 96.043 5.959 7.473 1.00 0.00 C ATOM 0 HA PRO A 76 97.476 3.801 5.801 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.480 4.707 8.532 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.209 4.993 6.965 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.840 6.934 8.217 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.790 6.782 6.472 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.637 6.172 8.462 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.477 6.559 6.760 1.00 0.00 H new ATOM 1206 N GLY A 77 98.048 1.648 6.696 1.00 0.00 N ATOM 1207 CA GLY A 77 98.270 0.282 7.160 1.00 0.00 C ATOM 1208 C GLY A 77 97.281 -0.675 6.506 1.00 0.00 C ATOM 1209 O GLY A 77 97.567 -1.860 6.335 1.00 0.00 O ATOM 0 H GLY A 77 98.359 1.826 5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.290 -0.025 6.927 1.00 0.00 H new ATOM 0 HA3 GLY A 77 98.163 0.239 8.244 1.00 0.00 H new ATOM 1213 N THR A 78 96.116 -0.150 6.136 1.00 0.00 N ATOM 1214 CA THR A 78 95.090 -0.964 5.495 1.00 0.00 C ATOM 1215 C THR A 78 95.656 -1.647 4.256 1.00 0.00 C ATOM 1216 O THR A 78 96.471 -1.069 3.537 1.00 0.00 O ATOM 1217 CB THR A 78 93.903 -0.086 5.099 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.823 -0.910 4.680 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.316 0.840 3.957 1.00 0.00 C ATOM 0 H THR A 78 95.861 0.829 6.268 1.00 0.00 H new ATOM 0 HA THR A 78 94.757 -1.726 6.200 1.00 0.00 H new ATOM 0 HB THR A 78 93.589 0.512 5.955 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.820 -1.737 5.206 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.471 1.467 3.673 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.143 1.471 4.281 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.629 0.244 3.100 1.00 0.00 H new ATOM 1227 N LYS A 79 95.225 -2.880 4.008 1.00 0.00 N ATOM 1228 CA LYS A 79 95.711 -3.622 2.846 1.00 0.00 C ATOM 1229 C LYS A 79 94.810 -3.380 1.636 1.00 0.00 C ATOM 1230 O LYS A 79 93.832 -4.097 1.421 1.00 0.00 O ATOM 1231 CB LYS A 79 95.770 -5.121 3.167 1.00 0.00 C ATOM 1232 CG LYS A 79 96.893 -5.783 2.359 1.00 0.00 C ATOM 1233 CD LYS A 79 96.648 -5.571 0.864 1.00 0.00 C ATOM 1234 CE LYS A 79 97.570 -6.490 0.059 1.00 0.00 C ATOM 1235 NZ LYS A 79 97.234 -7.912 0.352 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.550 -3.382 4.585 1.00 0.00 H new ATOM 0 HA LYS A 79 96.714 -3.269 2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 79 95.942 -5.267 4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 79 94.815 -5.590 2.931 1.00 0.00 H new ATOM 0 HG2 LYS A 79 97.856 -5.359 2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 79 96.935 -6.849 2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 79 95.606 -5.781 0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 79 96.833 -4.530 0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 79 97.459 -6.291 -1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 79 98.611 -6.291 0.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 97.460 -8.500 -0.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 97.788 -8.238 1.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 96.220 -7.992 0.567 1.00 0.00 H new ATOM 1249 N MET A 80 95.157 -2.370 0.844 1.00 0.00 N ATOM 1250 CA MET A 80 94.389 -2.038 -0.351 1.00 0.00 C ATOM 1251 C MET A 80 95.066 -0.910 -1.122 1.00 0.00 C ATOM 1252 O MET A 80 94.876 0.267 -0.817 1.00 0.00 O ATOM 1253 CB MET A 80 92.966 -1.616 0.027 1.00 0.00 C ATOM 1254 CG MET A 80 92.240 -1.106 -1.223 1.00 0.00 C ATOM 1255 SD MET A 80 90.460 -1.014 -0.902 1.00 0.00 S ATOM 1256 CE MET A 80 90.088 0.317 -2.069 1.00 0.00 C ATOM 0 H MET A 80 95.964 -1.768 1.008 1.00 0.00 H new ATOM 0 HA MET A 80 94.342 -2.925 -0.982 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.426 -2.460 0.456 1.00 0.00 H new ATOM 0 HB3 MET A 80 92.996 -0.836 0.788 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.620 -0.123 -1.500 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.433 -1.771 -2.064 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.072 0.675 -1.901 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.791 1.137 -1.922 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.176 -0.058 -3.089 1.00 0.00 H new ATOM 1266 N ILE A 81 95.858 -1.280 -2.124 1.00 0.00 N ATOM 1267 CA ILE A 81 96.565 -0.298 -2.941 1.00 0.00 C ATOM 1268 C ILE A 81 96.352 -0.587 -4.425 1.00 0.00 C ATOM 1269 O ILE A 81 97.076 -1.385 -5.021 1.00 0.00 O ATOM 1270 CB ILE A 81 98.063 -0.333 -2.621 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.278 -0.071 -1.120 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.781 0.746 -3.436 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.219 -1.391 -0.336 1.00 0.00 C ATOM 0 H ILE A 81 96.026 -2.250 -2.390 1.00 0.00 H new ATOM 0 HA ILE A 81 96.169 0.692 -2.713 1.00 0.00 H new ATOM 0 HB ILE A 81 98.466 -1.313 -2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.243 0.411 -0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 81 97.515 0.614 -0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.847 0.723 -3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.631 0.559 -4.499 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.377 1.725 -3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.373 -1.191 0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.244 -1.857 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.998 -2.063 -0.695 1.00 0.00 H new ATOM 1285 N PHE A 82 95.352 0.066 -5.014 1.00 0.00 N ATOM 1286 CA PHE A 82 95.045 -0.127 -6.430 1.00 0.00 C ATOM 1287 C PHE A 82 95.023 1.213 -7.160 1.00 0.00 C ATOM 1288 O PHE A 82 95.926 1.521 -7.938 1.00 0.00 O ATOM 1289 CB PHE A 82 93.684 -0.815 -6.576 1.00 0.00 C ATOM 1290 CG PHE A 82 93.384 -1.040 -8.040 1.00 0.00 C ATOM 1291 CD1 PHE A 82 94.111 -1.991 -8.765 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.376 -0.300 -8.672 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.833 -2.201 -10.120 1.00 0.00 C ATOM 1294 CE2 PHE A 82 92.098 -0.510 -10.027 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.826 -1.461 -10.751 1.00 0.00 C ATOM 0 H PHE A 82 94.743 0.730 -4.536 1.00 0.00 H new ATOM 0 HA PHE A 82 95.819 -0.754 -6.872 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.687 -1.767 -6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.905 -0.201 -6.125 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.887 -2.563 -8.278 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.813 0.433 -8.113 1.00 0.00 H new ATOM 0 HE1 PHE A 82 94.395 -2.934 -10.679 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.322 0.062 -10.514 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.611 -1.624 -11.797 1.00 0.00 H new ATOM 1305 N ALA A 83 93.990 2.005 -6.900 1.00 0.00 N ATOM 1306 CA ALA A 83 93.861 3.311 -7.533 1.00 0.00 C ATOM 1307 C ALA A 83 92.645 4.047 -6.982 1.00 0.00 C ATOM 1308 O ALA A 83 91.504 3.672 -7.257 1.00 0.00 O ATOM 1309 CB ALA A 83 93.720 3.145 -9.047 1.00 0.00 C ATOM 0 H ALA A 83 93.233 1.767 -6.259 1.00 0.00 H new ATOM 0 HA ALA A 83 94.756 3.894 -7.316 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.624 4.126 -9.513 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.602 2.640 -9.441 1.00 0.00 H new ATOM 0 HB3 ALA A 83 92.833 2.550 -9.267 1.00 0.00 H new ATOM 1315 N GLY A 84 92.894 5.094 -6.204 1.00 0.00 N ATOM 1316 CA GLY A 84 91.811 5.873 -5.618 1.00 0.00 C ATOM 1317 C GLY A 84 90.959 6.522 -6.701 1.00 0.00 C ATOM 1318 O GLY A 84 91.265 6.424 -7.889 1.00 0.00 O ATOM 0 H GLY A 84 93.830 5.421 -5.966 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.188 5.228 -4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.223 6.642 -4.965 1.00 0.00 H new ATOM 1322 N ILE A 85 89.889 7.189 -6.281 1.00 0.00 N ATOM 1323 CA ILE A 85 88.997 7.857 -7.221 1.00 0.00 C ATOM 1324 C ILE A 85 89.526 9.251 -7.552 1.00 0.00 C ATOM 1325 O ILE A 85 90.350 9.799 -6.822 1.00 0.00 O ATOM 1326 CB ILE A 85 87.595 7.956 -6.613 1.00 0.00 C ATOM 1327 CG1 ILE A 85 86.966 6.554 -6.522 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.716 8.864 -7.474 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.299 6.176 -7.850 1.00 0.00 C ATOM 0 H ILE A 85 89.620 7.281 -5.302 1.00 0.00 H new ATOM 0 HA ILE A 85 88.949 7.277 -8.143 1.00 0.00 H new ATOM 0 HB ILE A 85 87.670 8.380 -5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.733 5.821 -6.272 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.229 6.531 -5.719 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.720 8.929 -7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.158 9.859 -7.521 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.642 8.451 -8.480 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.860 5.182 -7.767 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.518 6.899 -8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.045 6.178 -8.645 1.00 0.00 H new ATOM 1341 N LYS A 86 89.060 9.814 -8.666 1.00 0.00 N ATOM 1342 CA LYS A 86 89.508 11.137 -9.089 1.00 0.00 C ATOM 1343 C LYS A 86 88.550 12.232 -8.619 1.00 0.00 C ATOM 1344 O LYS A 86 88.903 13.053 -7.774 1.00 0.00 O ATOM 1345 CB LYS A 86 89.625 11.175 -10.617 1.00 0.00 C ATOM 1346 CG LYS A 86 90.568 12.309 -11.033 1.00 0.00 C ATOM 1347 CD LYS A 86 90.692 12.346 -12.561 1.00 0.00 C ATOM 1348 CE LYS A 86 91.728 11.317 -13.025 1.00 0.00 C ATOM 1349 NZ LYS A 86 91.961 11.470 -14.489 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.378 9.378 -9.286 1.00 0.00 H new ATOM 0 HA LYS A 86 90.481 11.325 -8.635 1.00 0.00 H new ATOM 0 HB2 LYS A 86 90.002 10.221 -10.987 1.00 0.00 H new ATOM 0 HB3 LYS A 86 88.642 11.324 -11.063 1.00 0.00 H new ATOM 0 HG2 LYS A 86 90.189 13.263 -10.666 1.00 0.00 H new ATOM 0 HG3 LYS A 86 91.550 12.162 -10.583 1.00 0.00 H new ATOM 0 HD2 LYS A 86 89.726 12.134 -13.018 1.00 0.00 H new ATOM 0 HD3 LYS A 86 90.986 13.344 -12.887 1.00 0.00 H new ATOM 0 HE2 LYS A 86 92.662 11.456 -12.481 1.00 0.00 H new ATOM 0 HE3 LYS A 86 91.378 10.308 -12.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 92.664 10.771 -14.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 91.068 11.317 -15.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 92.313 12.428 -14.686 1.00 0.00 H new ATOM 1363 N LYS A 87 87.343 12.253 -9.185 1.00 0.00 N ATOM 1364 CA LYS A 87 86.356 13.270 -8.824 1.00 0.00 C ATOM 1365 C LYS A 87 85.446 12.790 -7.697 1.00 0.00 C ATOM 1366 O LYS A 87 85.368 11.596 -7.407 1.00 0.00 O ATOM 1367 CB LYS A 87 85.508 13.628 -10.046 1.00 0.00 C ATOM 1368 CG LYS A 87 86.426 13.997 -11.221 1.00 0.00 C ATOM 1369 CD LYS A 87 85.715 14.994 -12.147 1.00 0.00 C ATOM 1370 CE LYS A 87 85.930 16.422 -11.637 1.00 0.00 C ATOM 1371 NZ LYS A 87 85.292 17.387 -12.576 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.028 11.585 -9.888 1.00 0.00 H new ATOM 0 HA LYS A 87 86.896 14.150 -8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.872 12.786 -10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.848 14.463 -9.811 1.00 0.00 H new ATOM 0 HG2 LYS A 87 87.353 14.432 -10.847 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.697 13.100 -11.778 1.00 0.00 H new ATOM 0 HD2 LYS A 87 86.100 14.899 -13.162 1.00 0.00 H new ATOM 0 HD3 LYS A 87 84.649 14.770 -12.188 1.00 0.00 H new ATOM 0 HE2 LYS A 87 85.503 16.532 -10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 87 86.996 16.632 -11.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 85.438 18.357 -12.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 85.719 17.288 -13.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 84.272 17.191 -12.636 1.00 0.00 H new ATOM 1385 N LYS A 88 84.759 13.735 -7.062 1.00 0.00 N ATOM 1386 CA LYS A 88 83.854 13.406 -5.968 1.00 0.00 C ATOM 1387 C LYS A 88 82.664 12.603 -6.479 1.00 0.00 C ATOM 1388 O LYS A 88 82.354 11.539 -5.949 1.00 0.00 O ATOM 1389 CB LYS A 88 83.354 14.687 -5.296 1.00 0.00 C ATOM 1390 CG LYS A 88 82.578 14.331 -4.024 1.00 0.00 C ATOM 1391 CD LYS A 88 81.961 15.603 -3.418 1.00 0.00 C ATOM 1392 CE LYS A 88 80.530 15.789 -3.934 1.00 0.00 C ATOM 1393 NZ LYS A 88 80.560 16.078 -5.395 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.812 14.729 -7.285 1.00 0.00 H new ATOM 0 HA LYS A 88 84.400 12.804 -5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 88 84.196 15.334 -5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.714 15.243 -5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.794 13.610 -4.255 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.243 13.858 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.958 15.533 -2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 88 82.566 16.471 -3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 88 79.944 14.890 -3.743 1.00 0.00 H new ATOM 0 HE3 LYS A 88 80.044 16.606 -3.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 79.660 16.513 -5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 81.342 16.731 -5.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 80.699 15.192 -5.921 1.00 0.00 H new ATOM 1407 N THR A 89 81.999 13.118 -7.509 1.00 0.00 N ATOM 1408 CA THR A 89 80.844 12.427 -8.069 1.00 0.00 C ATOM 1409 C THR A 89 81.181 10.969 -8.342 1.00 0.00 C ATOM 1410 O THR A 89 80.320 10.098 -8.245 1.00 0.00 O ATOM 1411 CB THR A 89 80.396 13.090 -9.368 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.514 13.245 -10.230 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.785 14.457 -9.065 1.00 0.00 C ATOM 0 H THR A 89 82.236 13.998 -7.967 1.00 0.00 H new ATOM 0 HA THR A 89 80.034 12.483 -7.342 1.00 0.00 H new ATOM 0 HB THR A 89 79.648 12.464 -9.855 1.00 0.00 H new ATOM 0 HG1 THR A 89 81.227 13.669 -11.065 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.466 14.927 -9.995 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.924 14.333 -8.408 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.528 15.087 -8.576 1.00 0.00 H new ATOM 1421 N GLU A 90 82.437 10.707 -8.673 1.00 0.00 N ATOM 1422 CA GLU A 90 82.861 9.342 -8.938 1.00 0.00 C ATOM 1423 C GLU A 90 82.752 8.536 -7.653 1.00 0.00 C ATOM 1424 O GLU A 90 82.419 7.352 -7.671 1.00 0.00 O ATOM 1425 CB GLU A 90 84.302 9.319 -9.456 1.00 0.00 C ATOM 1426 CG GLU A 90 84.323 9.686 -10.940 1.00 0.00 C ATOM 1427 CD GLU A 90 85.762 9.867 -11.411 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.620 10.072 -10.569 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 85.985 9.798 -12.609 1.00 0.00 O ATOM 0 H GLU A 90 83.170 11.411 -8.763 1.00 0.00 H new ATOM 0 HA GLU A 90 82.220 8.905 -9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.913 10.021 -8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.735 8.329 -9.310 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.836 8.905 -11.523 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.759 10.604 -11.104 1.00 0.00 H new ATOM 1436 N ARG A 91 83.017 9.204 -6.533 1.00 0.00 N ATOM 1437 CA ARG A 91 82.927 8.559 -5.230 1.00 0.00 C ATOM 1438 C ARG A 91 81.469 8.432 -4.812 1.00 0.00 C ATOM 1439 O ARG A 91 81.027 7.365 -4.394 1.00 0.00 O ATOM 1440 CB ARG A 91 83.675 9.378 -4.177 1.00 0.00 C ATOM 1441 CG ARG A 91 85.116 9.613 -4.628 1.00 0.00 C ATOM 1442 CD ARG A 91 85.889 10.352 -3.526 1.00 0.00 C ATOM 1443 NE ARG A 91 86.581 11.507 -4.087 1.00 0.00 N ATOM 1444 CZ ARG A 91 87.011 12.499 -3.310 1.00 0.00 C ATOM 1445 NH1 ARG A 91 86.832 12.444 -2.018 1.00 0.00 N ATOM 1446 NH2 ARG A 91 87.615 13.526 -3.842 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.294 10.185 -6.503 1.00 0.00 H new ATOM 0 HA ARG A 91 83.377 7.569 -5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.173 10.333 -4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.665 8.854 -3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.598 8.661 -4.848 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.129 10.197 -5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.202 10.675 -2.743 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.608 9.678 -3.061 1.00 0.00 H new ATOM 0 HE ARG A 91 86.738 11.556 -5.094 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.362 11.640 -1.602 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.162 13.205 -1.425 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.757 13.568 -4.851 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.945 14.287 -3.249 1.00 0.00 H new ATOM 1460 N GLU A 92 80.726 9.532 -4.925 1.00 0.00 N ATOM 1461 CA GLU A 92 79.316 9.525 -4.552 1.00 0.00 C ATOM 1462 C GLU A 92 78.568 8.470 -5.354 1.00 0.00 C ATOM 1463 O GLU A 92 77.904 7.605 -4.788 1.00 0.00 O ATOM 1464 CB GLU A 92 78.696 10.900 -4.807 1.00 0.00 C ATOM 1465 CG GLU A 92 77.297 10.952 -4.189 1.00 0.00 C ATOM 1466 CD GLU A 92 76.694 12.339 -4.381 1.00 0.00 C ATOM 1467 OE1 GLU A 92 76.946 13.193 -3.547 1.00 0.00 O1- ATOM 1468 OE2 GLU A 92 75.989 12.527 -5.358 1.00 0.00 O ATOM 0 H GLU A 92 81.073 10.428 -5.268 1.00 0.00 H new ATOM 0 HA GLU A 92 79.238 9.290 -3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.324 11.680 -4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.639 11.092 -5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.657 10.201 -4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.350 10.713 -3.127 1.00 0.00 H new ATOM 1475 N ASP A 93 78.692 8.536 -6.677 1.00 0.00 N ATOM 1476 CA ASP A 93 78.033 7.563 -7.535 1.00 0.00 C ATOM 1477 C ASP A 93 78.490 6.156 -7.165 1.00 0.00 C ATOM 1478 O ASP A 93 77.673 5.268 -6.927 1.00 0.00 O ATOM 1479 CB ASP A 93 78.360 7.844 -9.002 1.00 0.00 C ATOM 1480 CG ASP A 93 77.721 9.159 -9.436 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.285 9.898 -8.569 1.00 0.00 O ATOM 1482 OD2 ASP A 93 77.676 9.408 -10.630 1.00 0.00 O1- ATOM 0 H ASP A 93 79.236 9.244 -7.171 1.00 0.00 H new ATOM 0 HA ASP A 93 76.955 7.641 -7.393 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.440 7.892 -9.140 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.995 7.029 -9.627 1.00 0.00 H new ATOM 1487 N LEU A 94 79.806 5.968 -7.108 1.00 0.00 N ATOM 1488 CA LEU A 94 80.370 4.671 -6.753 1.00 0.00 C ATOM 1489 C LEU A 94 79.820 4.208 -5.415 1.00 0.00 C ATOM 1490 O LEU A 94 79.592 3.018 -5.199 1.00 0.00 O ATOM 1491 CB LEU A 94 81.895 4.773 -6.649 1.00 0.00 C ATOM 1492 CG LEU A 94 82.481 3.443 -6.163 1.00 0.00 C ATOM 1493 CD1 LEU A 94 82.029 2.317 -7.092 1.00 0.00 C ATOM 1494 CD2 LEU A 94 84.013 3.523 -6.156 1.00 0.00 C ATOM 0 H LEU A 94 80.497 6.693 -7.302 1.00 0.00 H new ATOM 0 HA LEU A 94 80.099 3.955 -7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.317 5.032 -7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.167 5.573 -5.960 1.00 0.00 H new ATOM 0 HG LEU A 94 82.129 3.242 -5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.446 1.371 -6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.941 2.257 -7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.378 2.519 -8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.425 2.575 -5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.371 3.728 -7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.333 4.323 -5.488 1.00 0.00 H new ATOM 1506 N ILE A 95 79.626 5.161 -4.512 1.00 0.00 N ATOM 1507 CA ILE A 95 79.124 4.847 -3.188 1.00 0.00 C ATOM 1508 C ILE A 95 77.626 4.586 -3.223 1.00 0.00 C ATOM 1509 O ILE A 95 77.099 3.821 -2.417 1.00 0.00 O ATOM 1510 CB ILE A 95 79.458 5.987 -2.221 1.00 0.00 C ATOM 1511 CG1 ILE A 95 80.960 5.925 -1.916 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.647 5.829 -0.927 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.466 7.283 -1.432 1.00 0.00 C ATOM 0 H ILE A 95 79.809 6.151 -4.674 1.00 0.00 H new ATOM 0 HA ILE A 95 79.609 3.937 -2.837 1.00 0.00 H new ATOM 0 HB ILE A 95 79.205 6.949 -2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.151 5.167 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.506 5.625 -2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.890 6.643 -0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.582 5.855 -1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.893 4.876 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.533 7.219 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.293 8.032 -2.205 1.00 0.00 H new ATOM 0 HD13 ILE A 95 80.933 7.568 -0.525 1.00 0.00 H new ATOM 1525 N ALA A 96 76.947 5.211 -4.173 1.00 0.00 N ATOM 1526 CA ALA A 96 75.515 5.018 -4.311 1.00 0.00 C ATOM 1527 C ALA A 96 75.233 3.563 -4.667 1.00 0.00 C ATOM 1528 O ALA A 96 74.256 2.971 -4.203 1.00 0.00 O ATOM 1529 CB ALA A 96 74.967 5.941 -5.397 1.00 0.00 C ATOM 0 H ALA A 96 77.361 5.849 -4.852 1.00 0.00 H new ATOM 0 HA ALA A 96 75.024 5.259 -3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.892 5.790 -5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.165 6.978 -5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.453 5.714 -6.346 1.00 0.00 H new ATOM 1535 N TYR A 97 76.112 2.986 -5.481 1.00 0.00 N ATOM 1536 CA TYR A 97 75.961 1.595 -5.878 1.00 0.00 C ATOM 1537 C TYR A 97 76.386 0.685 -4.733 1.00 0.00 C ATOM 1538 O TYR A 97 75.667 -0.240 -4.368 1.00 0.00 O ATOM 1539 CB TYR A 97 76.809 1.293 -7.119 1.00 0.00 C ATOM 1540 CG TYR A 97 76.880 -0.205 -7.332 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.844 -0.871 -8.000 1.00 0.00 C ATOM 1542 CD2 TYR A 97 77.979 -0.927 -6.853 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.909 -2.256 -8.189 1.00 0.00 C ATOM 1544 CE2 TYR A 97 78.044 -2.313 -7.043 1.00 0.00 C ATOM 1545 CZ TYR A 97 77.009 -2.977 -7.711 1.00 0.00 C ATOM 1546 OH TYR A 97 77.072 -4.344 -7.897 1.00 0.00 O ATOM 0 H TYR A 97 76.927 3.456 -5.874 1.00 0.00 H new ATOM 0 HA TYR A 97 74.914 1.414 -6.119 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.375 1.775 -7.995 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.812 1.701 -6.995 1.00 0.00 H new ATOM 0 HD1 TYR A 97 74.995 -0.315 -8.369 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.777 -0.415 -6.337 1.00 0.00 H new ATOM 0 HE1 TYR A 97 75.110 -2.769 -8.704 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.893 -2.869 -6.674 1.00 0.00 H new ATOM 0 HH TYR A 97 77.998 -4.607 -8.082 1.00 0.00 H new ATOM 1556 N LEU A 98 77.557 0.961 -4.163 1.00 0.00 N ATOM 1557 CA LEU A 98 78.055 0.160 -3.052 1.00 0.00 C ATOM 1558 C LEU A 98 76.973 0.024 -1.985 1.00 0.00 C ATOM 1559 O LEU A 98 76.965 -0.932 -1.214 1.00 0.00 O ATOM 1560 CB LEU A 98 79.301 0.816 -2.441 1.00 0.00 C ATOM 1561 CG LEU A 98 80.533 0.510 -3.309 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.632 1.543 -3.042 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.069 -0.889 -2.977 1.00 0.00 C ATOM 0 H LEU A 98 78.171 1.724 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 98 78.321 -0.829 -3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.156 1.894 -2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.458 0.445 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 98 80.241 0.552 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.501 1.318 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.262 2.539 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.917 1.508 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.942 -1.100 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.351 -0.930 -1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.296 -1.631 -3.175 1.00 0.00 H new ATOM 1575 N LYS A 99 76.059 0.990 -1.952 1.00 0.00 N ATOM 1576 CA LYS A 99 74.973 0.969 -0.976 1.00 0.00 C ATOM 1577 C LYS A 99 73.872 0.011 -1.425 1.00 0.00 C ATOM 1578 O LYS A 99 73.373 -0.789 -0.633 1.00 0.00 O ATOM 1579 CB LYS A 99 74.389 2.379 -0.809 1.00 0.00 C ATOM 1580 CG LYS A 99 75.223 3.173 0.203 1.00 0.00 C ATOM 1581 CD LYS A 99 74.509 4.486 0.539 1.00 0.00 C ATOM 1582 CE LYS A 99 74.553 5.426 -0.668 1.00 0.00 C ATOM 1583 NZ LYS A 99 74.225 6.812 -0.230 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.048 1.791 -2.584 1.00 0.00 H new ATOM 0 HA LYS A 99 75.373 0.627 -0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.380 2.894 -1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.355 2.316 -0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.370 2.585 1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.212 3.379 -0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.474 4.286 0.818 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.985 4.960 1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 99 75.542 5.402 -1.125 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.843 5.095 -1.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 73.578 7.249 -0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 73.769 6.782 0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 75.098 7.373 -0.171 1.00 0.00 H new ATOM 1597 N LYS A 100 73.497 0.101 -2.697 1.00 0.00 N ATOM 1598 CA LYS A 100 72.450 -0.762 -3.238 1.00 0.00 C ATOM 1599 C LYS A 100 72.978 -2.175 -3.468 1.00 0.00 C ATOM 1600 O LYS A 100 72.206 -3.127 -3.581 1.00 0.00 O ATOM 1601 CB LYS A 100 71.938 -0.187 -4.561 1.00 0.00 C ATOM 1602 CG LYS A 100 70.602 -0.841 -4.927 1.00 0.00 C ATOM 1603 CD LYS A 100 70.232 -0.491 -6.373 1.00 0.00 C ATOM 1604 CE LYS A 100 71.054 -1.343 -7.349 1.00 0.00 C ATOM 1605 NZ LYS A 100 70.365 -1.386 -8.670 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.898 0.756 -3.368 1.00 0.00 H new ATOM 0 HA LYS A 100 71.635 -0.807 -2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 100 71.814 0.893 -4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 100 72.668 -0.362 -5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.672 -1.923 -4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 100 69.821 -0.498 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 100 69.168 -0.662 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 100 70.416 0.567 -6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 100 72.054 -0.924 -7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 100 71.174 -2.353 -6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 70.921 -1.963 -9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 69.420 -1.804 -8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 70.273 -0.420 -9.045 1.00 0.00 H new ATOM 1619 N ALA A 101 74.298 -2.304 -3.535 1.00 0.00 N ATOM 1620 CA ALA A 101 74.922 -3.603 -3.753 1.00 0.00 C ATOM 1621 C ALA A 101 75.113 -4.337 -2.433 1.00 0.00 C ATOM 1622 O ALA A 101 75.022 -5.563 -2.374 1.00 0.00 O ATOM 1623 CB ALA A 101 76.277 -3.422 -4.436 1.00 0.00 C ATOM 0 H ALA A 101 74.954 -1.529 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 101 74.267 -4.195 -4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.737 -4.397 -4.596 1.00 0.00 H new ATOM 0 HB2 ALA A 101 76.137 -2.925 -5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.925 -2.814 -3.804 1.00 0.00 H new ATOM 1629 N THR A 102 75.380 -3.580 -1.373 1.00 0.00 N ATOM 1630 CA THR A 102 75.583 -4.175 -0.056 1.00 0.00 C ATOM 1631 C THR A 102 74.260 -4.269 0.687 1.00 0.00 C ATOM 1632 O THR A 102 74.192 -4.791 1.801 1.00 0.00 O ATOM 1633 CB THR A 102 76.565 -3.329 0.755 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.057 -2.009 0.881 1.00 0.00 O ATOM 1635 CG2 THR A 102 77.914 -3.296 0.041 1.00 0.00 C ATOM 0 H THR A 102 75.460 -2.563 -1.399 1.00 0.00 H new ATOM 0 HA THR A 102 75.992 -5.177 -0.186 1.00 0.00 H new ATOM 0 HB THR A 102 76.692 -3.763 1.747 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.263 -1.500 0.069 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.616 -2.693 0.617 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.300 -4.311 -0.054 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.790 -2.860 -0.950 1.00 0.00 H new ATOM 1643 N ASN A 103 73.212 -3.752 0.056 1.00 0.00 N ATOM 1644 CA ASN A 103 71.881 -3.768 0.646 1.00 0.00 C ATOM 1645 C ASN A 103 71.014 -4.814 -0.046 1.00 0.00 C ATOM 1646 O ASN A 103 70.031 -5.295 0.518 1.00 0.00 O ATOM 1647 CB ASN A 103 71.236 -2.390 0.491 1.00 0.00 C ATOM 1648 CG ASN A 103 71.849 -1.410 1.481 1.00 0.00 C ATOM 1649 OD1 ASN A 103 71.187 -0.466 1.913 1.00 0.00 O ATOM 1650 ND2 ASN A 103 73.081 -1.576 1.871 1.00 0.00 N ATOM 0 H ASN A 103 73.260 -3.316 -0.865 1.00 0.00 H new ATOM 0 HA ASN A 103 71.965 -4.017 1.704 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.377 -2.026 -0.527 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.161 -2.462 0.657 1.00 0.00 H new ATOM 0 HD21 ASN A 103 73.498 -0.924 2.535 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.628 -2.358 1.512 1.00 0.00 H new ATOM 1657 N GLU A 104 71.390 -5.158 -1.275 1.00 0.00 N ATOM 1658 CA GLU A 104 70.647 -6.147 -2.051 1.00 0.00 C ATOM 1659 C GLU A 104 69.145 -5.996 -1.824 1.00 0.00 C ATOM 1660 O GLU A 104 68.599 -4.992 -2.251 1.00 0.00 O ATOM 1661 CB GLU A 104 71.087 -7.558 -1.657 1.00 0.00 C ATOM 1662 CG GLU A 104 72.549 -7.767 -2.059 1.00 0.00 C ATOM 1663 CD GLU A 104 72.907 -9.247 -1.970 1.00 0.00 C ATOM 1664 OE1 GLU A 104 72.061 -10.017 -1.547 1.00 0.00 O ATOM 1665 OE2 GLU A 104 74.022 -9.588 -2.329 1.00 0.00 O1- ATOM 1666 OXT GLU A 104 68.564 -6.886 -1.226 1.00 0.00 O ATOM 0 H GLU A 104 72.202 -4.768 -1.754 1.00 0.00 H new ATOM 0 HA GLU A 104 70.858 -5.982 -3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 104 70.970 -7.700 -0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 104 70.454 -8.298 -2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 104 72.711 -7.405 -3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 104 73.201 -7.187 -1.406 1.00 0.00 H new TER 1673 GLU A 104 HETATM 1674 FE HEC A 201 88.948 -2.728 -1.156 1.00 0.00 FE HETATM 1675 CHA HEC A 201 89.236 -3.320 2.162 1.00 0.00 C HETATM 1676 CHB HEC A 201 86.335 -0.664 -0.559 1.00 0.00 C HETATM 1677 CHC HEC A 201 88.781 -1.990 -4.453 1.00 0.00 C HETATM 1678 CHD HEC A 201 91.404 -4.971 -1.774 1.00 0.00 C HETATM 1679 NA HEC A 201 87.998 -2.125 0.446 1.00 0.00 N HETATM 1680 C1A HEC A 201 88.263 -2.442 1.759 1.00 0.00 C HETATM 1681 C2A HEC A 201 87.359 -1.774 2.660 1.00 0.00 C HETATM 1682 C3A HEC A 201 86.512 -1.052 1.888 1.00 0.00 C HETATM 1683 C4A HEC A 201 86.921 -1.271 0.523 1.00 0.00 C HETATM 1684 CMA HEC A 201 85.373 -0.212 2.359 1.00 0.00 C HETATM 1685 CAA HEC A 201 87.387 -1.825 4.149 1.00 0.00 C HETATM 1686 CBA HEC A 201 86.798 -3.122 4.706 1.00 0.00 C HETATM 1687 CGA HEC A 201 86.379 -2.927 6.155 1.00 0.00 C HETATM 1688 O1A HEC A 201 85.445 -3.592 6.568 1.00 0.00 O HETATM 1689 O2A HEC A 201 87.001 -2.124 6.831 1.00 0.00 O HETATM 1690 NB HEC A 201 87.814 -1.574 -2.259 1.00 0.00 N HETATM 1691 C1B HEC A 201 86.744 -0.804 -1.858 1.00 0.00 C HETATM 1692 C2B HEC A 201 86.129 -0.128 -2.969 1.00 0.00 C HETATM 1693 C3B HEC A 201 86.842 -0.466 -4.070 1.00 0.00 C HETATM 1694 C4B HEC A 201 87.880 -1.369 -3.621 1.00 0.00 C HETATM 1695 CMB HEC A 201 84.907 0.725 -2.921 1.00 0.00 C HETATM 1696 CAB HEC A 201 86.624 0.034 -5.466 1.00 0.00 C HETATM 1697 CBB HEC A 201 86.880 1.541 -5.608 1.00 0.00 C HETATM 1698 NC HEC A 201 89.897 -3.332 -2.757 1.00 0.00 N HETATM 1699 C1C HEC A 201 89.720 -2.911 -4.057 1.00 0.00 C HETATM 1700 C2C HEC A 201 90.589 -3.614 -4.966 1.00 0.00 C HETATM 1701 C3C HEC A 201 91.294 -4.498 -4.220 1.00 0.00 C HETATM 1702 C4C HEC A 201 90.873 -4.301 -2.851 1.00 0.00 C HETATM 1703 CMC HEC A 201 90.708 -3.392 -6.436 1.00 0.00 C HETATM 1704 CAC HEC A 201 92.229 -5.548 -4.729 1.00 0.00 C HETATM 1705 CBC HEC A 201 93.419 -4.972 -5.508 1.00 0.00 C HETATM 1706 ND HEC A 201 90.073 -3.887 -0.051 1.00 0.00 N HETATM 1707 C1D HEC A 201 91.040 -4.776 -0.464 1.00 0.00 C HETATM 1708 C2D HEC A 201 91.653 -5.451 0.655 1.00 0.00 C HETATM 1709 C3D HEC A 201 91.052 -4.964 1.770 1.00 0.00 C HETATM 1710 C4D HEC A 201 90.079 -4.002 1.323 1.00 0.00 C HETATM 1711 CMD HEC A 201 92.732 -6.482 0.594 1.00 0.00 C HETATM 1712 CAD HEC A 201 91.337 -5.350 3.185 1.00 0.00 C HETATM 1713 CBD HEC A 201 92.077 -4.254 3.958 1.00 0.00 C HETATM 1714 CGD HEC A 201 92.009 -4.532 5.456 1.00 0.00 C HETATM 1715 O1D HEC A 201 91.510 -5.584 5.821 1.00 0.00 O HETATM 1716 O2D HEC A 201 92.457 -3.689 6.217 1.00 0.00 O HETATM 0 HMD3 HEC A 201 92.384 -7.339 0.017 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 93.615 -6.057 0.116 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 92.986 -6.804 1.604 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 89.743 -3.572 -6.910 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 91.019 -2.365 -6.625 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 91.449 -4.077 -6.849 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 84.065 0.135 -2.559 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 85.076 1.566 -2.248 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 84.685 1.099 -3.920 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 84.660 -0.835 2.899 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 85.746 0.569 3.021 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 84.879 0.245 1.502 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 93.117 -4.210 3.635 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 91.634 -3.282 3.740 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 93.054 -4.412 -6.369 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 93.991 -4.308 -4.860 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 94.059 -5.786 -5.850 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 86.205 2.088 -4.951 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 87.912 1.762 -5.334 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 86.706 1.844 -6.641 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 85.938 -3.426 4.109 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 87.534 -3.923 4.637 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 90.399 -5.576 3.692 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 91.933 -6.262 3.196 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 88.416 -1.721 4.493 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 86.830 -0.977 4.548 1.00 0.00 H new HETATM 0 HHD HEC A 201 92.174 -5.715 -1.976 1.00 0.00 H new HETATM 0 HHC HEC A 201 88.748 -1.731 -5.511 1.00 0.00 H new HETATM 0 HHB HEC A 201 85.476 -0.020 -0.369 1.00 0.00 H new HETATM 0 HHA HEC A 201 89.348 -3.489 3.233 1.00 0.00 H new HETATM 1749 O HOH A 301 80.629 2.947 -0.976 1.00 0.00 O HETATM 1752 O HOH A 302 85.880 5.336 6.172 1.00 0.00 O HETATM 1755 O HOH A 303 83.020 -5.426 5.717 1.00 0.00 O HETATM 1758 O HOH A 304 82.763 -10.099 0.244 1.00 0.00 O