USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 699 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 SER OG : rot 116:sc= 0.1 USER MOD Set 1.2: A 84 HIS : no HD1:sc= 0.0956 X(o=0.2,f=-0.019) USER MOD Set 2.1: A 8 GLN : amide:sc=-0.00146 K(o=-0.0015,f=-0.84) USER MOD Set 2.2: A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -130:sc= 0 (180deg=-0.668) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 130:sc= -0.025 USER MOD Single : A 5 ASN : amide:sc= -0.0458 K(o=-0.046,f=-1.9!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -131:sc= -0.0446 (180deg=-0.455) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.305 K(o=-0.31,f=-1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -2.52 X(o=-2.5,f=-2.9!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.057 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 71:sc= -2.59! USER MOD Single : A 59 GLN : amide:sc= -4.65! C(o=-4.7!,f=-7.2!) USER MOD Single : A 60 GLN : amide:sc= -0.0492 K(o=-0.049,f=-1.7!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.53 K(o=-0.53,f=0.013) USER MOD Single : A 64 GLN : amide:sc= -0.811 X(o=-0.81,f=-0.81) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -2.22! USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00767 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.411 USER MOD Single : A 77 SER OG : rot 133:sc= 0.0441 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0517 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-4.1!) USER MOD Single : A 86 HIS : no HD1:sc= -0.0614 K(o=-0.061,f=-0.62) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.0207 X(o=-0.021,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.814 -9.018 -25.426 1.00 0.00 N ATOM 2 CA MET A 1 -13.461 -8.558 -25.835 1.00 0.00 C ATOM 3 C MET A 1 -12.381 -9.524 -25.356 1.00 0.00 C ATOM 4 O MET A 1 -12.667 -10.672 -25.018 1.00 0.00 O ATOM 5 CB MET A 1 -13.220 -7.165 -25.251 1.00 0.00 C ATOM 6 CG MET A 1 -13.424 -6.042 -26.255 1.00 0.00 C ATOM 7 SD MET A 1 -12.316 -6.169 -27.673 1.00 0.00 S ATOM 8 CE MET A 1 -10.768 -5.651 -26.938 1.00 0.00 C ATOM 0 H1 MET A 1 -15.528 -8.342 -25.765 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.001 -9.955 -25.837 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.861 -9.080 -24.389 1.00 0.00 H new ATOM 0 HA MET A 1 -13.411 -8.522 -26.923 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.892 -7.013 -24.406 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.203 -7.114 -24.862 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.457 -6.054 -26.603 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.266 -5.084 -25.760 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.309 -4.883 -27.560 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.955 -5.248 -25.943 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.097 -6.506 -26.863 1.00 0.00 H new ATOM 20 N ARG A 2 -11.139 -9.049 -25.331 1.00 0.00 N ATOM 21 CA ARG A 2 -10.016 -9.870 -24.895 1.00 0.00 C ATOM 22 C ARG A 2 -9.414 -9.329 -23.603 1.00 0.00 C ATOM 23 O ARG A 2 -8.614 -8.393 -23.621 1.00 0.00 O ATOM 24 CB ARG A 2 -8.944 -9.927 -25.987 1.00 0.00 C ATOM 25 CG ARG A 2 -9.511 -10.086 -27.388 1.00 0.00 C ATOM 26 CD ARG A 2 -9.605 -11.550 -27.788 1.00 0.00 C ATOM 27 NE ARG A 2 -9.477 -11.732 -29.232 1.00 0.00 N ATOM 28 CZ ARG A 2 -9.753 -12.871 -29.860 1.00 0.00 C ATOM 29 NH1 ARG A 2 -10.168 -13.927 -29.175 1.00 0.00 N ATOM 30 NH2 ARG A 2 -9.611 -12.954 -31.176 1.00 0.00 N ATOM 0 H ARG A 2 -10.886 -8.100 -25.607 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.387 -10.877 -24.707 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -8.347 -9.016 -25.947 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -8.270 -10.758 -25.780 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -10.500 -9.631 -27.435 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.880 -9.553 -28.100 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.823 -12.115 -27.281 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.560 -11.956 -27.455 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.158 -10.940 -29.790 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.277 -13.868 -28.163 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.379 -14.799 -29.660 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.290 -12.144 -31.706 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.823 -13.828 -31.658 1.00 0.00 H new ATOM 44 N GLY A 3 -9.807 -9.925 -22.480 1.00 0.00 N ATOM 45 CA GLY A 3 -9.299 -9.491 -21.191 1.00 0.00 C ATOM 46 C GLY A 3 -8.591 -10.603 -20.442 1.00 0.00 C ATOM 47 O GLY A 3 -8.397 -11.694 -20.975 1.00 0.00 O ATOM 0 H GLY A 3 -10.468 -10.701 -22.440 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -8.610 -8.659 -21.337 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -10.125 -9.118 -20.585 1.00 0.00 H new ATOM 51 N SER A 4 -8.203 -10.322 -19.202 1.00 0.00 N ATOM 52 CA SER A 4 -7.511 -11.306 -18.375 1.00 0.00 C ATOM 53 C SER A 4 -7.816 -11.084 -16.897 1.00 0.00 C ATOM 54 O SER A 4 -8.645 -11.785 -16.314 1.00 0.00 O ATOM 55 CB SER A 4 -6.001 -11.233 -18.616 1.00 0.00 C ATOM 56 OG SER A 4 -5.500 -12.469 -19.095 1.00 0.00 O ATOM 0 H SER A 4 -8.356 -9.422 -18.747 1.00 0.00 H new ATOM 0 HA SER A 4 -7.868 -12.297 -18.655 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.782 -10.445 -19.336 1.00 0.00 H new ATOM 0 HB3 SER A 4 -5.494 -10.967 -17.689 1.00 0.00 H new ATOM 0 HG SER A 4 -4.955 -12.313 -19.895 1.00 0.00 H new ATOM 62 N ASN A 5 -7.143 -10.104 -16.299 1.00 0.00 N ATOM 63 CA ASN A 5 -7.338 -9.782 -14.888 1.00 0.00 C ATOM 64 C ASN A 5 -7.178 -11.023 -14.014 1.00 0.00 C ATOM 65 O ASN A 5 -8.160 -11.573 -13.513 1.00 0.00 O ATOM 66 CB ASN A 5 -8.720 -9.163 -14.669 1.00 0.00 C ATOM 67 CG ASN A 5 -8.746 -7.677 -14.974 1.00 0.00 C ATOM 68 OD1 ASN A 5 -7.712 -7.071 -15.259 1.00 0.00 O ATOM 69 ND2 ASN A 5 -9.931 -7.081 -14.912 1.00 0.00 N ATOM 0 H ASN A 5 -6.455 -9.517 -16.772 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.574 -9.059 -14.600 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.447 -9.673 -15.301 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.027 -9.324 -13.636 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.010 -6.082 -15.104 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.762 -7.622 -14.672 1.00 0.00 H new ATOM 76 N ALA A 6 -5.935 -11.456 -13.834 1.00 0.00 N ATOM 77 CA ALA A 6 -5.646 -12.630 -13.020 1.00 0.00 C ATOM 78 C ALA A 6 -5.136 -12.228 -11.637 1.00 0.00 C ATOM 79 O ALA A 6 -4.233 -11.399 -11.518 1.00 0.00 O ATOM 80 CB ALA A 6 -4.631 -13.520 -13.721 1.00 0.00 C ATOM 0 H ALA A 6 -5.112 -11.012 -14.241 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.573 -13.188 -12.888 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.424 -14.393 -13.102 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.032 -13.843 -14.682 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.708 -12.963 -13.882 1.00 0.00 H new ATOM 86 N PRO A 7 -5.711 -12.810 -10.568 1.00 0.00 N ATOM 87 CA PRO A 7 -5.315 -12.513 -9.199 1.00 0.00 C ATOM 88 C PRO A 7 -4.179 -13.407 -8.716 1.00 0.00 C ATOM 89 O PRO A 7 -3.673 -14.243 -9.466 1.00 0.00 O ATOM 90 CB PRO A 7 -6.594 -12.788 -8.412 1.00 0.00 C ATOM 91 CG PRO A 7 -7.331 -13.829 -9.196 1.00 0.00 C ATOM 92 CD PRO A 7 -6.793 -13.807 -10.610 1.00 0.00 C ATOM 0 HA PRO A 7 -4.934 -11.498 -9.086 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.367 -13.142 -7.406 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.191 -11.882 -8.304 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.192 -14.814 -8.749 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.402 -13.625 -9.191 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.421 -14.787 -10.910 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.566 -13.527 -11.326 1.00 0.00 H new ATOM 100 N GLN A 8 -3.783 -13.228 -7.460 1.00 0.00 N ATOM 101 CA GLN A 8 -2.704 -14.022 -6.879 1.00 0.00 C ATOM 102 C GLN A 8 -3.217 -15.386 -6.422 1.00 0.00 C ATOM 103 O GLN A 8 -4.203 -15.470 -5.688 1.00 0.00 O ATOM 104 CB GLN A 8 -2.059 -13.288 -5.702 1.00 0.00 C ATOM 105 CG GLN A 8 -2.500 -11.841 -5.555 1.00 0.00 C ATOM 106 CD GLN A 8 -1.765 -11.119 -4.443 1.00 0.00 C ATOM 107 OE1 GLN A 8 -0.629 -11.461 -4.110 1.00 0.00 O ATOM 108 NE2 GLN A 8 -2.411 -10.115 -3.860 1.00 0.00 N ATOM 0 H GLN A 8 -4.191 -12.542 -6.825 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.951 -14.172 -7.652 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.293 -13.823 -4.782 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.976 -13.316 -5.820 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.334 -11.317 -6.496 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.572 -11.810 -5.358 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -3.351 -9.866 -4.168 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.967 -9.593 -3.104 1.00 0.00 H new ATOM 117 N PRO A 9 -2.555 -16.477 -6.851 1.00 0.00 N ATOM 118 CA PRO A 9 -2.954 -17.838 -6.478 1.00 0.00 C ATOM 119 C PRO A 9 -2.865 -18.072 -4.974 1.00 0.00 C ATOM 120 O PRO A 9 -3.710 -18.750 -4.390 1.00 0.00 O ATOM 121 CB PRO A 9 -1.954 -18.733 -7.221 1.00 0.00 C ATOM 122 CG PRO A 9 -0.798 -17.847 -7.536 1.00 0.00 C ATOM 123 CD PRO A 9 -1.370 -16.472 -7.727 1.00 0.00 C ATOM 0 HA PRO A 9 -3.993 -18.040 -6.740 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.647 -19.577 -6.604 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.393 -19.145 -8.129 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.067 -17.857 -6.727 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.282 -18.183 -8.435 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.660 -15.697 -7.440 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.639 -16.288 -8.767 1.00 0.00 H new ATOM 131 N SER A 10 -1.836 -17.505 -4.354 1.00 0.00 N ATOM 132 CA SER A 10 -1.634 -17.648 -2.917 1.00 0.00 C ATOM 133 C SER A 10 -1.436 -16.285 -2.259 1.00 0.00 C ATOM 134 O SER A 10 -1.530 -15.249 -2.918 1.00 0.00 O ATOM 135 CB SER A 10 -0.427 -18.545 -2.641 1.00 0.00 C ATOM 136 OG SER A 10 -0.835 -19.849 -2.268 1.00 0.00 O ATOM 0 H SER A 10 -1.128 -16.941 -4.825 1.00 0.00 H new ATOM 0 HA SER A 10 -2.525 -18.109 -2.490 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.202 -18.598 -3.530 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.180 -18.109 -1.847 1.00 0.00 H new ATOM 0 HG SER A 10 -0.045 -20.403 -2.099 1.00 0.00 H new ATOM 142 N HIS A 11 -1.163 -16.293 -0.957 1.00 0.00 N ATOM 143 CA HIS A 11 -0.952 -15.057 -0.213 1.00 0.00 C ATOM 144 C HIS A 11 0.451 -15.011 0.386 1.00 0.00 C ATOM 145 O HIS A 11 0.976 -16.026 0.843 1.00 0.00 O ATOM 146 CB HIS A 11 -1.996 -14.920 0.897 1.00 0.00 C ATOM 147 CG HIS A 11 -3.407 -15.053 0.415 1.00 0.00 C ATOM 148 ND1 HIS A 11 -4.019 -16.279 0.322 1.00 0.00 N ATOM 149 CD2 HIS A 11 -4.277 -14.093 0.016 1.00 0.00 C ATOM 150 CE1 HIS A 11 -5.238 -16.044 -0.127 1.00 0.00 C ATOM 151 NE2 HIS A 11 -5.441 -14.732 -0.328 1.00 0.00 N ATOM 0 H HIS A 11 -1.083 -17.142 -0.397 1.00 0.00 H new ATOM 0 HA HIS A 11 -1.057 -14.224 -0.908 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.808 -15.679 1.657 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.876 -13.950 1.379 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -4.090 -13.030 -0.023 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -5.978 -16.809 -0.309 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -6.296 -14.295 -0.671 1.00 0.00 H new ATOM 159 N ILE A 12 1.051 -13.823 0.381 1.00 0.00 N ATOM 160 CA ILE A 12 2.394 -13.637 0.924 1.00 0.00 C ATOM 161 C ILE A 12 2.352 -13.533 2.446 1.00 0.00 C ATOM 162 O ILE A 12 1.332 -13.153 3.020 1.00 0.00 O ATOM 163 CB ILE A 12 3.061 -12.370 0.345 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.436 -12.141 0.980 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.167 -11.158 0.556 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.488 -11.681 -0.005 1.00 0.00 C ATOM 0 H ILE A 12 0.628 -12.974 0.006 1.00 0.00 H new ATOM 0 HA ILE A 12 2.983 -14.508 0.637 1.00 0.00 H new ATOM 0 HB ILE A 12 3.202 -12.516 -0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.342 -11.398 1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.769 -13.067 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.651 -10.273 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.213 -11.318 0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.996 -11.013 1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.436 -11.539 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.611 -12.433 -0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.177 -10.739 -0.456 1.00 0.00 H new ATOM 178 N SER A 13 3.468 -13.869 3.090 1.00 0.00 N ATOM 179 CA SER A 13 3.560 -13.807 4.543 1.00 0.00 C ATOM 180 C SER A 13 3.075 -12.457 5.058 1.00 0.00 C ATOM 181 O SER A 13 2.201 -12.391 5.922 1.00 0.00 O ATOM 182 CB SER A 13 5.000 -14.055 4.996 1.00 0.00 C ATOM 183 OG SER A 13 5.263 -15.442 5.124 1.00 0.00 O ATOM 0 H SER A 13 4.319 -14.187 2.627 1.00 0.00 H new ATOM 0 HA SER A 13 2.920 -14.586 4.958 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.691 -13.615 4.277 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.175 -13.559 5.951 1.00 0.00 H new ATOM 0 HG SER A 13 6.190 -15.574 5.413 1.00 0.00 H new ATOM 189 N LYS A 14 3.642 -11.379 4.519 1.00 0.00 N ATOM 190 CA LYS A 14 3.251 -10.034 4.932 1.00 0.00 C ATOM 191 C LYS A 14 3.614 -8.994 3.875 1.00 0.00 C ATOM 192 O LYS A 14 4.640 -9.101 3.202 1.00 0.00 O ATOM 193 CB LYS A 14 3.908 -9.671 6.267 1.00 0.00 C ATOM 194 CG LYS A 14 5.136 -10.504 6.598 1.00 0.00 C ATOM 195 CD LYS A 14 6.343 -9.626 6.891 1.00 0.00 C ATOM 196 CE LYS A 14 6.724 -9.673 8.362 1.00 0.00 C ATOM 197 NZ LYS A 14 5.585 -9.297 9.245 1.00 0.00 N ATOM 0 H LYS A 14 4.367 -11.410 3.802 1.00 0.00 H new ATOM 0 HA LYS A 14 2.168 -10.031 5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.190 -8.618 6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.175 -9.790 7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.926 -11.136 7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.362 -11.168 5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.188 -9.953 6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.124 -8.598 6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.064 -10.677 8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.561 -8.998 8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.901 -8.587 9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.815 -8.900 8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.242 -10.141 9.747 1.00 0.00 H new ATOM 211 N TYR A 15 2.759 -7.983 3.748 1.00 0.00 N ATOM 212 CA TYR A 15 2.964 -6.900 2.790 1.00 0.00 C ATOM 213 C TYR A 15 3.431 -5.639 3.512 1.00 0.00 C ATOM 214 O TYR A 15 2.915 -5.301 4.571 1.00 0.00 O ATOM 215 CB TYR A 15 1.659 -6.602 2.044 1.00 0.00 C ATOM 216 CG TYR A 15 1.590 -7.182 0.650 1.00 0.00 C ATOM 217 CD1 TYR A 15 2.543 -6.860 -0.307 1.00 0.00 C ATOM 218 CD2 TYR A 15 0.564 -8.047 0.289 1.00 0.00 C ATOM 219 CE1 TYR A 15 2.474 -7.383 -1.584 1.00 0.00 C ATOM 220 CE2 TYR A 15 0.490 -8.575 -0.985 1.00 0.00 C ATOM 221 CZ TYR A 15 1.448 -8.241 -1.918 1.00 0.00 C ATOM 222 OH TYR A 15 1.380 -8.764 -3.189 1.00 0.00 O ATOM 0 H TYR A 15 1.908 -7.891 4.303 1.00 0.00 H new ATOM 0 HA TYR A 15 3.727 -7.210 2.076 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.824 -6.990 2.628 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.529 -5.522 1.982 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.350 -6.191 -0.049 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.189 -8.311 1.017 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.221 -7.120 -2.318 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.314 -9.246 -1.249 1.00 0.00 H new ATOM 0 HH TYR A 15 0.598 -9.351 -3.260 1.00 0.00 H new ATOM 232 N ILE A 16 4.404 -4.946 2.936 1.00 0.00 N ATOM 233 CA ILE A 16 4.925 -3.727 3.532 1.00 0.00 C ATOM 234 C ILE A 16 4.612 -2.518 2.655 1.00 0.00 C ATOM 235 O ILE A 16 4.644 -2.602 1.427 1.00 0.00 O ATOM 236 CB ILE A 16 6.446 -3.840 3.764 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.744 -3.837 5.264 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.211 -2.728 3.051 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.741 -2.458 5.896 1.00 0.00 C ATOM 0 H ILE A 16 4.848 -5.209 2.056 1.00 0.00 H new ATOM 0 HA ILE A 16 4.437 -3.589 4.497 1.00 0.00 H new ATOM 0 HB ILE A 16 6.786 -4.784 3.337 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.006 -4.458 5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.717 -4.299 5.431 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.279 -2.843 3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.023 -2.786 1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.879 -1.760 3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.961 -2.545 6.960 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.499 -1.837 5.418 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.761 -1.999 5.764 1.00 0.00 H new ATOM 251 N LEU A 17 4.306 -1.396 3.297 1.00 0.00 N ATOM 252 CA LEU A 17 3.983 -0.171 2.580 1.00 0.00 C ATOM 253 C LEU A 17 4.782 1.009 3.121 1.00 0.00 C ATOM 254 O LEU A 17 4.620 1.405 4.275 1.00 0.00 O ATOM 255 CB LEU A 17 2.489 0.127 2.683 1.00 0.00 C ATOM 256 CG LEU A 17 1.844 0.629 1.391 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.464 0.019 1.209 1.00 0.00 C ATOM 258 CD2 LEU A 17 1.761 2.147 1.396 1.00 0.00 C ATOM 0 H LEU A 17 4.275 -1.311 4.313 1.00 0.00 H new ATOM 0 HA LEU A 17 4.249 -0.317 1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.973 -0.779 3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.335 0.873 3.463 1.00 0.00 H new ATOM 0 HG LEU A 17 2.467 0.319 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.022 0.389 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.549 -1.067 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.170 0.297 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.300 2.489 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.160 2.476 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.764 2.566 1.478 1.00 0.00 H new ATOM 270 N ARG A 18 5.641 1.567 2.277 1.00 0.00 N ATOM 271 CA ARG A 18 6.463 2.704 2.663 1.00 0.00 C ATOM 272 C ARG A 18 6.159 3.911 1.782 1.00 0.00 C ATOM 273 O ARG A 18 6.144 3.802 0.558 1.00 0.00 O ATOM 274 CB ARG A 18 7.942 2.334 2.570 1.00 0.00 C ATOM 275 CG ARG A 18 8.401 1.411 3.685 1.00 0.00 C ATOM 276 CD ARG A 18 9.082 0.167 3.137 1.00 0.00 C ATOM 277 NE ARG A 18 10.192 0.497 2.248 1.00 0.00 N ATOM 278 CZ ARG A 18 11.317 -0.209 2.182 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.479 -1.281 2.948 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.280 0.157 1.348 1.00 0.00 N ATOM 0 H ARG A 18 5.786 1.249 1.319 1.00 0.00 H new ATOM 0 HA ARG A 18 6.230 2.969 3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.130 1.854 1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.540 3.245 2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.090 1.945 4.340 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.544 1.120 4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.449 -0.440 3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.353 -0.437 2.597 1.00 0.00 H new ATOM 0 HE ARG A 18 10.100 1.314 1.644 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.739 -1.566 3.590 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.343 -1.820 2.895 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.158 0.980 0.757 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.143 -0.384 1.297 1.00 0.00 H new ATOM 294 N TRP A 19 5.910 5.060 2.407 1.00 0.00 N ATOM 295 CA TRP A 19 5.599 6.273 1.659 1.00 0.00 C ATOM 296 C TRP A 19 5.998 7.533 2.422 1.00 0.00 C ATOM 297 O TRP A 19 6.146 7.516 3.646 1.00 0.00 O ATOM 298 CB TRP A 19 4.105 6.321 1.322 1.00 0.00 C ATOM 299 CG TRP A 19 3.230 6.642 2.497 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.655 7.847 2.786 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.828 5.746 3.540 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.921 7.755 3.943 1.00 0.00 N ATOM 303 CE2 TRP A 19 2.011 6.475 4.426 1.00 0.00 C ATOM 304 CE3 TRP A 19 3.078 4.398 3.811 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.445 5.901 5.560 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.515 3.830 4.939 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.706 4.581 5.801 1.00 0.00 C ATOM 0 H TRP A 19 5.918 5.175 3.420 1.00 0.00 H new ATOM 0 HA TRP A 19 6.181 6.244 0.738 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.941 7.067 0.544 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.804 5.358 0.909 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.762 8.742 2.191 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.394 8.515 4.373 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.700 3.811 3.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.821 6.478 6.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.702 2.789 5.159 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.280 4.108 6.673 1.00 0.00 H new ATOM 318 N ARG A 20 6.165 8.625 1.680 1.00 0.00 N ATOM 319 CA ARG A 20 6.542 9.912 2.256 1.00 0.00 C ATOM 320 C ARG A 20 6.170 11.049 1.303 1.00 0.00 C ATOM 321 O ARG A 20 6.034 10.832 0.099 1.00 0.00 O ATOM 322 CB ARG A 20 8.044 9.940 2.551 1.00 0.00 C ATOM 323 CG ARG A 20 8.910 10.075 1.309 1.00 0.00 C ATOM 324 CD ARG A 20 9.800 11.305 1.383 1.00 0.00 C ATOM 325 NE ARG A 20 11.081 11.098 0.714 1.00 0.00 N ATOM 326 CZ ARG A 20 12.193 11.758 1.029 1.00 0.00 C ATOM 327 NH1 ARG A 20 12.177 12.665 1.997 1.00 0.00 N ATOM 328 NH2 ARG A 20 13.321 11.511 0.376 1.00 0.00 N ATOM 0 H ARG A 20 6.043 8.643 0.667 1.00 0.00 H new ATOM 0 HA ARG A 20 5.999 10.048 3.191 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.257 10.771 3.224 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.319 9.026 3.077 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.527 9.184 1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.274 10.137 0.426 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.286 12.151 0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.975 11.563 2.428 1.00 0.00 H new ATOM 0 HE ARG A 20 11.126 10.409 -0.037 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.312 12.858 2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.030 13.170 2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.337 10.814 -0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.172 12.018 0.619 1.00 0.00 H new ATOM 342 N PRO A 21 5.999 12.283 1.821 1.00 0.00 N ATOM 343 CA PRO A 21 5.644 13.440 0.991 1.00 0.00 C ATOM 344 C PRO A 21 6.676 13.700 -0.102 1.00 0.00 C ATOM 345 O PRO A 21 7.821 14.054 0.180 1.00 0.00 O ATOM 346 CB PRO A 21 5.605 14.611 1.981 1.00 0.00 C ATOM 347 CG PRO A 21 6.344 14.136 3.185 1.00 0.00 C ATOM 348 CD PRO A 21 6.138 12.649 3.240 1.00 0.00 C ATOM 0 HA PRO A 21 4.700 13.286 0.468 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.074 15.499 1.557 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.579 14.880 2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.404 14.380 3.113 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.967 14.615 4.088 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.982 12.141 3.707 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.250 12.385 3.814 1.00 0.00 H new ATOM 356 N LYS A 22 6.263 13.513 -1.352 1.00 0.00 N ATOM 357 CA LYS A 22 7.148 13.714 -2.495 1.00 0.00 C ATOM 358 C LYS A 22 7.500 15.189 -2.676 1.00 0.00 C ATOM 359 O LYS A 22 8.634 15.525 -3.018 1.00 0.00 O ATOM 360 CB LYS A 22 6.490 13.178 -3.768 1.00 0.00 C ATOM 361 CG LYS A 22 7.462 12.498 -4.719 1.00 0.00 C ATOM 362 CD LYS A 22 6.943 12.511 -6.146 1.00 0.00 C ATOM 363 CE LYS A 22 7.108 11.155 -6.810 1.00 0.00 C ATOM 364 NZ LYS A 22 8.339 11.093 -7.646 1.00 0.00 N ATOM 0 H LYS A 22 5.317 13.221 -1.600 1.00 0.00 H new ATOM 0 HA LYS A 22 8.071 13.167 -2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.710 12.469 -3.492 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.002 14.002 -4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.427 13.002 -4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.626 11.469 -4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.890 12.793 -6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.477 13.267 -6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.149 10.379 -6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.237 10.946 -7.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.416 10.152 -8.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.289 11.817 -8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.173 11.267 -7.049 1.00 0.00 H new ATOM 378 N ASN A 23 6.523 16.064 -2.454 1.00 0.00 N ATOM 379 CA ASN A 23 6.737 17.500 -2.604 1.00 0.00 C ATOM 380 C ASN A 23 7.085 18.153 -1.270 1.00 0.00 C ATOM 381 O ASN A 23 7.958 19.018 -1.202 1.00 0.00 O ATOM 382 CB ASN A 23 5.492 18.159 -3.200 1.00 0.00 C ATOM 383 CG ASN A 23 5.249 17.741 -4.637 1.00 0.00 C ATOM 384 OD1 ASN A 23 4.311 17.001 -4.931 1.00 0.00 O ATOM 385 ND2 ASN A 23 6.099 18.212 -5.543 1.00 0.00 N ATOM 0 H ASN A 23 5.578 15.805 -2.170 1.00 0.00 H new ATOM 0 HA ASN A 23 7.580 17.644 -3.280 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.622 17.899 -2.597 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.600 19.243 -3.153 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.987 17.962 -6.526 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.863 18.823 -5.256 1.00 0.00 H new ATOM 392 N SER A 24 6.396 17.736 -0.213 1.00 0.00 N ATOM 393 CA SER A 24 6.635 18.285 1.117 1.00 0.00 C ATOM 394 C SER A 24 7.752 17.526 1.828 1.00 0.00 C ATOM 395 O SER A 24 8.095 16.408 1.446 1.00 0.00 O ATOM 396 CB SER A 24 5.354 18.232 1.951 1.00 0.00 C ATOM 397 OG SER A 24 4.617 19.436 1.833 1.00 0.00 O ATOM 0 H SER A 24 5.669 17.021 -0.251 1.00 0.00 H new ATOM 0 HA SER A 24 6.943 19.324 1.003 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.739 17.393 1.626 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.605 18.057 2.997 1.00 0.00 H new ATOM 0 HG SER A 24 3.802 19.375 2.374 1.00 0.00 H new ATOM 403 N VAL A 25 8.314 18.142 2.864 1.00 0.00 N ATOM 404 CA VAL A 25 9.388 17.522 3.628 1.00 0.00 C ATOM 405 C VAL A 25 8.828 16.726 4.802 1.00 0.00 C ATOM 406 O VAL A 25 7.788 17.077 5.360 1.00 0.00 O ATOM 407 CB VAL A 25 10.387 18.577 4.151 1.00 0.00 C ATOM 408 CG1 VAL A 25 9.774 19.396 5.279 1.00 0.00 C ATOM 409 CG2 VAL A 25 11.679 17.913 4.604 1.00 0.00 C ATOM 0 H VAL A 25 8.043 19.069 3.192 1.00 0.00 H new ATOM 0 HA VAL A 25 9.915 16.846 2.955 1.00 0.00 H new ATOM 0 HB VAL A 25 10.621 19.258 3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.498 20.132 5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.884 19.908 4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.501 18.735 6.102 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.370 18.673 4.969 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.463 17.205 5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.131 17.385 3.764 1.00 0.00 H new ATOM 419 N GLY A 26 9.519 15.651 5.170 1.00 0.00 N ATOM 420 CA GLY A 26 9.065 14.826 6.271 1.00 0.00 C ATOM 421 C GLY A 26 9.846 13.534 6.388 1.00 0.00 C ATOM 422 O GLY A 26 11.064 13.518 6.203 1.00 0.00 O ATOM 0 H GLY A 26 10.382 15.339 4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.154 15.386 7.202 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.008 14.597 6.137 1.00 0.00 H new ATOM 426 N ARG A 27 9.145 12.450 6.702 1.00 0.00 N ATOM 427 CA ARG A 27 9.779 11.146 6.852 1.00 0.00 C ATOM 428 C ARG A 27 8.912 10.045 6.250 1.00 0.00 C ATOM 429 O ARG A 27 7.739 10.264 5.945 1.00 0.00 O ATOM 430 CB ARG A 27 10.042 10.857 8.332 1.00 0.00 C ATOM 431 CG ARG A 27 10.548 12.066 9.103 1.00 0.00 C ATOM 432 CD ARG A 27 9.500 12.587 10.075 1.00 0.00 C ATOM 433 NE ARG A 27 9.013 13.911 9.696 1.00 0.00 N ATOM 434 CZ ARG A 27 7.728 14.202 9.513 1.00 0.00 C ATOM 435 NH1 ARG A 27 6.802 13.266 9.675 1.00 0.00 N ATOM 436 NH2 ARG A 27 7.368 15.430 9.167 1.00 0.00 N ATOM 0 H ARG A 27 8.137 12.449 6.858 1.00 0.00 H new ATOM 0 HA ARG A 27 10.728 11.164 6.316 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.122 10.500 8.794 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.772 10.052 8.413 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.452 11.798 9.650 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.822 12.856 8.404 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.663 11.890 10.114 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.925 12.630 11.078 1.00 0.00 H new ATOM 0 HE ARG A 27 9.698 14.655 9.564 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.074 12.320 9.941 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.818 13.493 9.534 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.077 16.153 9.041 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.382 15.652 9.027 1.00 0.00 H new ATOM 450 N TRP A 28 9.497 8.862 6.081 1.00 0.00 N ATOM 451 CA TRP A 28 8.778 7.727 5.515 1.00 0.00 C ATOM 452 C TRP A 28 7.819 7.122 6.537 1.00 0.00 C ATOM 453 O TRP A 28 7.799 7.525 7.700 1.00 0.00 O ATOM 454 CB TRP A 28 9.763 6.661 5.030 1.00 0.00 C ATOM 455 CG TRP A 28 10.604 7.109 3.874 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.712 7.905 3.927 1.00 0.00 C ATOM 457 CD2 TRP A 28 10.405 6.787 2.493 1.00 0.00 C ATOM 458 NE1 TRP A 28 12.215 8.097 2.663 1.00 0.00 N ATOM 459 CE2 TRP A 28 11.431 7.421 1.765 1.00 0.00 C ATOM 460 CE3 TRP A 28 9.461 6.023 1.800 1.00 0.00 C ATOM 461 CZ2 TRP A 28 11.537 7.315 0.381 1.00 0.00 C ATOM 462 CZ3 TRP A 28 9.568 5.920 0.425 1.00 0.00 C ATOM 463 CH2 TRP A 28 10.601 6.562 -0.271 1.00 0.00 C ATOM 0 H TRP A 28 10.467 8.666 6.328 1.00 0.00 H new ATOM 0 HA TRP A 28 8.196 8.087 4.667 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.415 6.377 5.856 1.00 0.00 H new ATOM 0 HB3 TRP A 28 9.208 5.769 4.741 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.132 8.323 4.830 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.038 8.653 2.431 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.663 5.523 2.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.331 7.810 -0.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 8.843 5.335 -0.122 1.00 0.00 H new ATOM 0 HH2 TRP A 28 10.659 6.460 -1.345 1.00 0.00 H new ATOM 474 N LYS A 29 7.029 6.148 6.092 1.00 0.00 N ATOM 475 CA LYS A 29 6.070 5.476 6.959 1.00 0.00 C ATOM 476 C LYS A 29 5.959 4.011 6.562 1.00 0.00 C ATOM 477 O LYS A 29 5.994 3.686 5.378 1.00 0.00 O ATOM 478 CB LYS A 29 4.698 6.150 6.868 1.00 0.00 C ATOM 479 CG LYS A 29 4.678 7.570 7.412 1.00 0.00 C ATOM 480 CD LYS A 29 3.627 7.735 8.497 1.00 0.00 C ATOM 481 CE LYS A 29 3.705 9.107 9.148 1.00 0.00 C ATOM 482 NZ LYS A 29 2.612 9.315 10.137 1.00 0.00 N ATOM 0 H LYS A 29 7.036 5.807 5.131 1.00 0.00 H new ATOM 0 HA LYS A 29 6.420 5.545 7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.379 6.165 5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.971 5.550 7.416 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.660 7.821 7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.477 8.269 6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.635 7.591 8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.762 6.964 9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.669 9.219 9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.650 9.877 8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.701 10.262 10.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.692 9.233 9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.679 8.596 10.885 1.00 0.00 H new ATOM 496 N GLU A 30 5.841 3.127 7.547 1.00 0.00 N ATOM 497 CA GLU A 30 5.747 1.699 7.266 1.00 0.00 C ATOM 498 C GLU A 30 4.444 1.101 7.786 1.00 0.00 C ATOM 499 O GLU A 30 4.030 1.360 8.917 1.00 0.00 O ATOM 500 CB GLU A 30 6.937 0.959 7.881 1.00 0.00 C ATOM 501 CG GLU A 30 8.281 1.386 7.314 1.00 0.00 C ATOM 502 CD GLU A 30 8.983 2.411 8.183 1.00 0.00 C ATOM 503 OE1 GLU A 30 9.419 2.047 9.296 1.00 0.00 O ATOM 504 OE2 GLU A 30 9.098 3.578 7.752 1.00 0.00 O ATOM 0 H GLU A 30 5.808 3.370 8.537 1.00 0.00 H new ATOM 0 HA GLU A 30 5.761 1.579 6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.938 1.123 8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.809 -0.112 7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.920 0.510 7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.135 1.800 6.316 1.00 0.00 H new ATOM 511 N ALA A 31 3.814 0.287 6.944 1.00 0.00 N ATOM 512 CA ALA A 31 2.564 -0.380 7.289 1.00 0.00 C ATOM 513 C ALA A 31 2.571 -1.804 6.746 1.00 0.00 C ATOM 514 O ALA A 31 2.859 -2.021 5.568 1.00 0.00 O ATOM 515 CB ALA A 31 1.377 0.400 6.743 1.00 0.00 C ATOM 0 H ALA A 31 4.155 0.072 6.007 1.00 0.00 H new ATOM 0 HA ALA A 31 2.471 -0.421 8.374 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.452 -0.111 7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.373 1.403 7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.454 0.468 5.658 1.00 0.00 H new ATOM 521 N THR A 32 2.283 -2.775 7.605 1.00 0.00 N ATOM 522 CA THR A 32 2.294 -4.172 7.190 1.00 0.00 C ATOM 523 C THR A 32 0.907 -4.802 7.193 1.00 0.00 C ATOM 524 O THR A 32 0.133 -4.645 8.138 1.00 0.00 O ATOM 525 CB THR A 32 3.218 -5.018 8.085 1.00 0.00 C ATOM 526 OG1 THR A 32 4.489 -4.373 8.225 1.00 0.00 O ATOM 527 CG2 THR A 32 3.410 -6.411 7.499 1.00 0.00 C ATOM 0 H THR A 32 2.041 -2.623 8.584 1.00 0.00 H new ATOM 0 HA THR A 32 2.669 -4.167 6.166 1.00 0.00 H new ATOM 0 HB THR A 32 2.751 -5.114 9.065 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.070 -4.916 8.797 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.066 -6.991 8.148 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.444 -6.909 7.421 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.858 -6.330 6.508 1.00 0.00 H new ATOM 535 N ILE A 33 0.623 -5.544 6.127 1.00 0.00 N ATOM 536 CA ILE A 33 -0.641 -6.249 5.975 1.00 0.00 C ATOM 537 C ILE A 33 -0.371 -7.650 5.429 1.00 0.00 C ATOM 538 O ILE A 33 -0.030 -7.808 4.258 1.00 0.00 O ATOM 539 CB ILE A 33 -1.602 -5.513 5.015 1.00 0.00 C ATOM 540 CG1 ILE A 33 -1.276 -4.018 4.961 1.00 0.00 C ATOM 541 CG2 ILE A 33 -3.046 -5.729 5.444 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.964 -3.518 3.566 1.00 0.00 C ATOM 0 H ILE A 33 1.265 -5.672 5.345 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.115 -6.298 6.955 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.471 -5.926 4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.120 -3.455 5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.424 -3.816 5.610 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.712 -5.205 4.758 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.275 -6.795 5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.187 -5.343 6.453 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.743 -2.451 3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.101 -4.054 3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.824 -3.688 2.918 1.00 0.00 H new ATOM 554 N PRO A 34 -0.503 -8.689 6.272 1.00 0.00 N ATOM 555 CA PRO A 34 -0.247 -10.073 5.858 1.00 0.00 C ATOM 556 C PRO A 34 -1.135 -10.508 4.698 1.00 0.00 C ATOM 557 O PRO A 34 -2.349 -10.653 4.852 1.00 0.00 O ATOM 558 CB PRO A 34 -0.552 -10.892 7.116 1.00 0.00 C ATOM 559 CG PRO A 34 -0.445 -9.923 8.243 1.00 0.00 C ATOM 560 CD PRO A 34 -0.890 -8.601 7.690 1.00 0.00 C ATOM 0 HA PRO A 34 0.772 -10.204 5.493 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.548 -11.333 7.068 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.155 -11.713 7.233 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.072 -10.227 9.081 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.578 -9.867 8.615 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.964 -8.455 7.807 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.399 -7.767 8.192 1.00 0.00 H new ATOM 568 N GLY A 35 -0.519 -10.715 3.535 1.00 0.00 N ATOM 569 CA GLY A 35 -1.265 -11.131 2.362 1.00 0.00 C ATOM 570 C GLY A 35 -2.364 -10.153 2.001 1.00 0.00 C ATOM 571 O GLY A 35 -2.097 -9.076 1.466 1.00 0.00 O ATOM 0 H GLY A 35 0.484 -10.601 3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.583 -11.234 1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.701 -12.114 2.542 1.00 0.00 H new ATOM 575 N HIS A 36 -3.605 -10.527 2.294 1.00 0.00 N ATOM 576 CA HIS A 36 -4.750 -9.674 1.999 1.00 0.00 C ATOM 577 C HIS A 36 -5.976 -10.118 2.790 1.00 0.00 C ATOM 578 O HIS A 36 -6.727 -10.992 2.353 1.00 0.00 O ATOM 579 CB HIS A 36 -5.057 -9.699 0.500 1.00 0.00 C ATOM 580 CG HIS A 36 -5.149 -8.338 -0.115 1.00 0.00 C ATOM 581 ND1 HIS A 36 -4.046 -7.716 -0.646 1.00 0.00 N ATOM 582 CD2 HIS A 36 -6.226 -7.527 -0.256 1.00 0.00 C ATOM 583 CE1 HIS A 36 -4.469 -6.549 -1.096 1.00 0.00 C ATOM 584 NE2 HIS A 36 -5.785 -6.388 -0.883 1.00 0.00 N ATOM 0 H HIS A 36 -3.843 -11.415 2.735 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.500 -8.655 2.294 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.281 -10.268 -0.012 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.998 -10.226 0.339 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.236 -7.736 0.063 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.836 -5.816 -1.575 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -6.348 -5.577 -1.138 1.00 0.00 H new ATOM 592 N LEU A 37 -6.175 -9.510 3.957 1.00 0.00 N ATOM 593 CA LEU A 37 -7.314 -9.844 4.807 1.00 0.00 C ATOM 594 C LEU A 37 -8.569 -9.101 4.356 1.00 0.00 C ATOM 595 O LEU A 37 -9.688 -9.559 4.588 1.00 0.00 O ATOM 596 CB LEU A 37 -7.023 -9.545 6.291 1.00 0.00 C ATOM 597 CG LEU A 37 -6.032 -8.408 6.598 1.00 0.00 C ATOM 598 CD1 LEU A 37 -4.597 -8.854 6.358 1.00 0.00 C ATOM 599 CD2 LEU A 37 -6.355 -7.158 5.788 1.00 0.00 C ATOM 0 H LEU A 37 -5.564 -8.786 4.334 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.487 -10.916 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.968 -9.310 6.780 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.644 -10.457 6.751 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.136 -8.157 7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.918 -8.031 6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.367 -9.701 7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.477 -9.149 5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.637 -6.374 6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.298 -7.389 4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.361 -6.816 6.032 1.00 0.00 H new ATOM 611 N ASN A 38 -8.370 -7.956 3.705 1.00 0.00 N ATOM 612 CA ASN A 38 -9.477 -7.142 3.208 1.00 0.00 C ATOM 613 C ASN A 38 -8.950 -5.880 2.535 1.00 0.00 C ATOM 614 O ASN A 38 -7.752 -5.754 2.282 1.00 0.00 O ATOM 615 CB ASN A 38 -10.429 -6.762 4.346 1.00 0.00 C ATOM 616 CG ASN A 38 -9.703 -6.178 5.542 1.00 0.00 C ATOM 617 OD1 ASN A 38 -9.480 -6.861 6.541 1.00 0.00 O ATOM 618 ND2 ASN A 38 -9.331 -4.906 5.447 1.00 0.00 N ATOM 0 H ASN A 38 -7.447 -7.570 3.509 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.027 -7.734 2.476 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -11.158 -6.039 3.979 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.986 -7.645 4.659 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.840 -4.459 6.221 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.536 -4.377 4.600 1.00 0.00 H new ATOM 625 N SER A 39 -9.851 -4.945 2.252 1.00 0.00 N ATOM 626 CA SER A 39 -9.471 -3.691 1.612 1.00 0.00 C ATOM 627 C SER A 39 -8.809 -2.756 2.617 1.00 0.00 C ATOM 628 O SER A 39 -9.475 -2.173 3.473 1.00 0.00 O ATOM 629 CB SER A 39 -10.698 -3.013 1.001 1.00 0.00 C ATOM 630 OG SER A 39 -11.851 -3.232 1.796 1.00 0.00 O ATOM 0 H SER A 39 -10.847 -5.031 2.455 1.00 0.00 H new ATOM 0 HA SER A 39 -8.758 -3.915 0.819 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.516 -1.943 0.906 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.867 -3.398 -0.005 1.00 0.00 H new ATOM 0 HG SER A 39 -12.621 -2.787 1.385 1.00 0.00 H new ATOM 636 N TYR A 40 -7.491 -2.619 2.506 1.00 0.00 N ATOM 637 CA TYR A 40 -6.730 -1.756 3.401 1.00 0.00 C ATOM 638 C TYR A 40 -6.240 -0.513 2.665 1.00 0.00 C ATOM 639 O TYR A 40 -5.399 -0.602 1.771 1.00 0.00 O ATOM 640 CB TYR A 40 -5.541 -2.519 3.989 1.00 0.00 C ATOM 641 CG TYR A 40 -5.104 -2.013 5.347 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.515 -0.763 5.488 1.00 0.00 C ATOM 643 CD2 TYR A 40 -5.283 -2.786 6.488 1.00 0.00 C ATOM 644 CE1 TYR A 40 -4.115 -0.297 6.726 1.00 0.00 C ATOM 645 CE2 TYR A 40 -4.886 -2.327 7.731 1.00 0.00 C ATOM 646 CZ TYR A 40 -4.304 -1.083 7.844 1.00 0.00 C ATOM 647 OH TYR A 40 -3.907 -0.622 9.080 1.00 0.00 O ATOM 0 H TYR A 40 -6.927 -3.096 1.803 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.386 -1.442 4.212 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.803 -3.574 4.071 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.700 -2.452 3.298 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.367 -0.145 4.615 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.740 -3.761 6.403 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.657 0.677 6.818 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.031 -2.940 8.608 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.112 -1.296 9.762 1.00 0.00 H new ATOM 657 N THR A 41 -6.773 0.642 3.047 1.00 0.00 N ATOM 658 CA THR A 41 -6.392 1.903 2.423 1.00 0.00 C ATOM 659 C THR A 41 -5.835 2.882 3.450 1.00 0.00 C ATOM 660 O THR A 41 -6.419 3.082 4.515 1.00 0.00 O ATOM 661 CB THR A 41 -7.587 2.554 1.702 1.00 0.00 C ATOM 662 OG1 THR A 41 -7.262 3.899 1.331 1.00 0.00 O ATOM 663 CG2 THR A 41 -8.824 2.552 2.590 1.00 0.00 C ATOM 0 H THR A 41 -7.470 0.731 3.786 1.00 0.00 H new ATOM 0 HA THR A 41 -5.617 1.672 1.692 1.00 0.00 H new ATOM 0 HB THR A 41 -7.802 1.972 0.806 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.026 4.305 0.872 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.654 3.017 2.058 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.086 1.526 2.846 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.618 3.112 3.502 1.00 0.00 H new ATOM 671 N ILE A 42 -4.700 3.492 3.119 1.00 0.00 N ATOM 672 CA ILE A 42 -4.057 4.452 4.008 1.00 0.00 C ATOM 673 C ILE A 42 -4.556 5.867 3.734 1.00 0.00 C ATOM 674 O ILE A 42 -4.497 6.348 2.602 1.00 0.00 O ATOM 675 CB ILE A 42 -2.520 4.422 3.854 1.00 0.00 C ATOM 676 CG1 ILE A 42 -1.937 3.199 4.561 1.00 0.00 C ATOM 677 CG2 ILE A 42 -1.895 5.697 4.405 1.00 0.00 C ATOM 678 CD1 ILE A 42 -0.691 2.659 3.896 1.00 0.00 C ATOM 0 H ILE A 42 -4.207 3.337 2.240 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.317 4.166 5.027 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.287 4.357 2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.705 3.462 5.593 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.692 2.413 4.594 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.812 5.653 4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.285 6.558 3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.140 5.794 5.463 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.330 1.792 4.449 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.923 2.366 2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.080 3.430 3.887 1.00 0.00 H new ATOM 690 N LYS A 43 -5.034 6.533 4.779 1.00 0.00 N ATOM 691 CA LYS A 43 -5.530 7.896 4.653 1.00 0.00 C ATOM 692 C LYS A 43 -4.810 8.822 5.626 1.00 0.00 C ATOM 693 O LYS A 43 -4.131 8.365 6.546 1.00 0.00 O ATOM 694 CB LYS A 43 -7.038 7.947 4.901 1.00 0.00 C ATOM 695 CG LYS A 43 -7.756 8.975 4.041 1.00 0.00 C ATOM 696 CD LYS A 43 -9.073 9.407 4.666 1.00 0.00 C ATOM 697 CE LYS A 43 -10.255 8.711 4.011 1.00 0.00 C ATOM 698 NZ LYS A 43 -10.735 9.445 2.807 1.00 0.00 N ATOM 0 H LYS A 43 -5.088 6.150 5.723 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.332 8.234 3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.464 6.962 4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.219 8.173 5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.115 9.846 3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.942 8.556 3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.062 9.182 5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.186 10.487 4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.969 7.698 3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.069 8.623 4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.541 8.938 2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.033 10.403 3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.967 9.507 2.109 1.00 0.00 H new ATOM 712 N GLY A 44 -4.959 10.125 5.413 1.00 0.00 N ATOM 713 CA GLY A 44 -4.314 11.096 6.276 1.00 0.00 C ATOM 714 C GLY A 44 -3.622 12.190 5.491 1.00 0.00 C ATOM 715 O GLY A 44 -3.287 13.241 6.038 1.00 0.00 O ATOM 0 H GLY A 44 -5.515 10.526 4.658 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.057 11.541 6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.586 10.589 6.909 1.00 0.00 H new ATOM 719 N LEU A 45 -3.407 11.943 4.202 1.00 0.00 N ATOM 720 CA LEU A 45 -2.749 12.916 3.336 1.00 0.00 C ATOM 721 C LEU A 45 -3.657 14.120 3.104 1.00 0.00 C ATOM 722 O LEU A 45 -4.870 14.040 3.300 1.00 0.00 O ATOM 723 CB LEU A 45 -2.360 12.279 1.989 1.00 0.00 C ATOM 724 CG LEU A 45 -2.078 10.770 2.013 1.00 0.00 C ATOM 725 CD1 LEU A 45 -1.530 10.313 0.670 1.00 0.00 C ATOM 726 CD2 LEU A 45 -1.107 10.412 3.130 1.00 0.00 C ATOM 0 H LEU A 45 -3.679 11.078 3.735 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.838 13.250 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.163 12.467 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.473 12.788 1.612 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.019 10.253 2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.335 9.241 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.259 10.526 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.603 10.844 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.925 9.337 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.166 10.940 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.534 10.702 4.090 1.00 0.00 H new ATOM 738 N LYS A 46 -3.064 15.236 2.693 1.00 0.00 N ATOM 739 CA LYS A 46 -3.821 16.453 2.441 1.00 0.00 C ATOM 740 C LYS A 46 -3.983 16.698 0.941 1.00 0.00 C ATOM 741 O LYS A 46 -3.018 16.597 0.184 1.00 0.00 O ATOM 742 CB LYS A 46 -3.132 17.652 3.094 1.00 0.00 C ATOM 743 CG LYS A 46 -3.946 18.935 3.028 1.00 0.00 C ATOM 744 CD LYS A 46 -3.167 20.061 2.375 1.00 0.00 C ATOM 745 CE LYS A 46 -2.052 20.567 3.275 1.00 0.00 C ATOM 746 NZ LYS A 46 -1.953 22.053 3.257 1.00 0.00 N ATOM 0 H LYS A 46 -2.061 15.321 2.528 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.812 16.329 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.925 17.417 4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.171 17.817 2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.864 18.755 2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.240 19.232 4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.744 19.713 1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.844 20.882 2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.227 20.227 4.296 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.103 20.136 2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.181 22.357 3.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.760 22.376 2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.849 22.465 3.587 1.00 0.00 H new ATOM 760 N PRO A 47 -5.210 17.026 0.491 1.00 0.00 N ATOM 761 CA PRO A 47 -5.487 17.286 -0.926 1.00 0.00 C ATOM 762 C PRO A 47 -4.529 18.313 -1.521 1.00 0.00 C ATOM 763 O PRO A 47 -4.282 19.363 -0.927 1.00 0.00 O ATOM 764 CB PRO A 47 -6.916 17.832 -0.918 1.00 0.00 C ATOM 765 CG PRO A 47 -7.531 17.265 0.315 1.00 0.00 C ATOM 766 CD PRO A 47 -6.421 17.168 1.324 1.00 0.00 C ATOM 0 HA PRO A 47 -5.364 16.391 -1.536 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.923 18.922 -0.899 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.462 17.525 -1.810 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.335 17.904 0.680 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.967 16.285 0.119 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.373 18.056 1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.555 16.313 1.987 1.00 0.00 H new ATOM 774 N GLY A 48 -3.988 17.999 -2.694 1.00 0.00 N ATOM 775 CA GLY A 48 -3.058 18.902 -3.347 1.00 0.00 C ATOM 776 C GLY A 48 -1.617 18.473 -3.163 1.00 0.00 C ATOM 777 O GLY A 48 -0.744 18.851 -3.946 1.00 0.00 O ATOM 0 H GLY A 48 -4.177 17.136 -3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.288 18.950 -4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.190 19.907 -2.947 1.00 0.00 H new ATOM 781 N VAL A 49 -1.367 17.681 -2.125 1.00 0.00 N ATOM 782 CA VAL A 49 -0.023 17.195 -1.837 1.00 0.00 C ATOM 783 C VAL A 49 0.189 15.803 -2.418 1.00 0.00 C ATOM 784 O VAL A 49 -0.522 14.860 -2.069 1.00 0.00 O ATOM 785 CB VAL A 49 0.252 17.150 -0.321 1.00 0.00 C ATOM 786 CG1 VAL A 49 1.748 17.126 -0.048 1.00 0.00 C ATOM 787 CG2 VAL A 49 -0.407 18.329 0.380 1.00 0.00 C ATOM 0 H VAL A 49 -2.079 17.362 -1.468 1.00 0.00 H new ATOM 0 HA VAL A 49 0.671 17.895 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.181 16.233 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.921 17.094 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.189 16.244 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.208 18.023 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.201 18.278 1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.009 19.260 -0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.484 18.294 0.216 1.00 0.00 H new ATOM 797 N VAL A 50 1.170 15.678 -3.305 1.00 0.00 N ATOM 798 CA VAL A 50 1.472 14.398 -3.931 1.00 0.00 C ATOM 799 C VAL A 50 2.418 13.577 -3.061 1.00 0.00 C ATOM 800 O VAL A 50 3.346 14.115 -2.457 1.00 0.00 O ATOM 801 CB VAL A 50 2.100 14.584 -5.324 1.00 0.00 C ATOM 802 CG1 VAL A 50 2.159 13.256 -6.064 1.00 0.00 C ATOM 803 CG2 VAL A 50 1.321 15.615 -6.128 1.00 0.00 C ATOM 0 H VAL A 50 1.769 16.447 -3.606 1.00 0.00 H new ATOM 0 HA VAL A 50 0.527 13.867 -4.041 1.00 0.00 H new ATOM 0 HB VAL A 50 3.119 14.950 -5.197 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.606 13.407 -7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.763 12.549 -5.495 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.150 12.859 -6.181 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.780 15.733 -7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.290 15.281 -6.247 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.334 16.571 -5.604 1.00 0.00 H new ATOM 813 N TYR A 51 2.174 12.272 -3.001 1.00 0.00 N ATOM 814 CA TYR A 51 3.002 11.378 -2.203 1.00 0.00 C ATOM 815 C TYR A 51 3.586 10.266 -3.065 1.00 0.00 C ATOM 816 O TYR A 51 3.090 9.984 -4.156 1.00 0.00 O ATOM 817 CB TYR A 51 2.182 10.769 -1.062 1.00 0.00 C ATOM 818 CG TYR A 51 2.125 11.630 0.181 1.00 0.00 C ATOM 819 CD1 TYR A 51 1.432 12.833 0.186 1.00 0.00 C ATOM 820 CD2 TYR A 51 2.761 11.234 1.351 1.00 0.00 C ATOM 821 CE1 TYR A 51 1.373 13.620 1.321 1.00 0.00 C ATOM 822 CE2 TYR A 51 2.706 12.014 2.491 1.00 0.00 C ATOM 823 CZ TYR A 51 2.012 13.205 2.471 1.00 0.00 C ATOM 824 OH TYR A 51 1.955 13.984 3.603 1.00 0.00 O ATOM 0 H TYR A 51 1.410 11.811 -3.495 1.00 0.00 H new ATOM 0 HA TYR A 51 3.821 11.962 -1.784 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.166 10.589 -1.414 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.606 9.799 -0.801 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.930 13.160 -0.713 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.307 10.302 1.370 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.830 14.554 1.307 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.204 11.692 3.393 1.00 0.00 H new ATOM 0 HH TYR A 51 2.455 13.549 4.325 1.00 0.00 H new ATOM 834 N GLU A 52 4.634 9.629 -2.559 1.00 0.00 N ATOM 835 CA GLU A 52 5.284 8.537 -3.269 1.00 0.00 C ATOM 836 C GLU A 52 5.441 7.337 -2.344 1.00 0.00 C ATOM 837 O GLU A 52 5.880 7.476 -1.203 1.00 0.00 O ATOM 838 CB GLU A 52 6.647 8.983 -3.810 1.00 0.00 C ATOM 839 CG GLU A 52 7.698 9.203 -2.734 1.00 0.00 C ATOM 840 CD GLU A 52 9.038 8.593 -3.096 1.00 0.00 C ATOM 841 OE1 GLU A 52 9.066 7.400 -3.468 1.00 0.00 O ATOM 842 OE2 GLU A 52 10.059 9.307 -3.012 1.00 0.00 O ATOM 0 H GLU A 52 5.053 9.851 -1.656 1.00 0.00 H new ATOM 0 HA GLU A 52 4.661 8.248 -4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.011 8.232 -4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.518 9.908 -4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.823 10.273 -2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.348 8.772 -1.796 1.00 0.00 H new ATOM 849 N GLY A 53 5.065 6.160 -2.831 1.00 0.00 N ATOM 850 CA GLY A 53 5.165 4.971 -2.012 1.00 0.00 C ATOM 851 C GLY A 53 5.510 3.728 -2.798 1.00 0.00 C ATOM 852 O GLY A 53 5.241 3.635 -3.996 1.00 0.00 O ATOM 0 H GLY A 53 4.696 6.010 -3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.924 5.130 -1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.218 4.814 -1.495 1.00 0.00 H new ATOM 856 N GLN A 54 6.099 2.764 -2.104 1.00 0.00 N ATOM 857 CA GLN A 54 6.485 1.496 -2.702 1.00 0.00 C ATOM 858 C GLN A 54 6.028 0.356 -1.807 1.00 0.00 C ATOM 859 O GLN A 54 6.246 0.385 -0.596 1.00 0.00 O ATOM 860 CB GLN A 54 8.002 1.430 -2.897 1.00 0.00 C ATOM 861 CG GLN A 54 8.701 2.762 -2.685 1.00 0.00 C ATOM 862 CD GLN A 54 10.206 2.620 -2.590 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.794 2.803 -1.524 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.838 2.289 -3.709 1.00 0.00 N ATOM 0 H GLN A 54 6.322 2.840 -1.112 1.00 0.00 H new ATOM 0 HA GLN A 54 6.010 1.408 -3.679 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.417 0.697 -2.205 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.215 1.074 -3.905 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.454 3.433 -3.508 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.325 3.225 -1.773 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.310 2.147 -4.570 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.852 2.176 -3.708 1.00 0.00 H new ATOM 873 N LEU A 55 5.383 -0.639 -2.398 1.00 0.00 N ATOM 874 CA LEU A 55 4.890 -1.769 -1.628 1.00 0.00 C ATOM 875 C LEU A 55 5.833 -2.960 -1.741 1.00 0.00 C ATOM 876 O LEU A 55 5.881 -3.632 -2.770 1.00 0.00 O ATOM 877 CB LEU A 55 3.491 -2.156 -2.109 1.00 0.00 C ATOM 878 CG LEU A 55 2.822 -3.280 -1.320 1.00 0.00 C ATOM 879 CD1 LEU A 55 2.009 -2.713 -0.167 1.00 0.00 C ATOM 880 CD2 LEU A 55 1.941 -4.115 -2.234 1.00 0.00 C ATOM 0 H LEU A 55 5.191 -0.687 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 55 4.841 -1.475 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.852 -1.274 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.553 -2.455 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 55 3.599 -3.923 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.540 -3.529 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.665 -2.155 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.238 -2.048 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.471 -4.912 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.170 -3.482 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.549 -4.551 -3.027 1.00 0.00 H new ATOM 892 N ILE A 56 6.568 -3.222 -0.664 1.00 0.00 N ATOM 893 CA ILE A 56 7.505 -4.339 -0.623 1.00 0.00 C ATOM 894 C ILE A 56 6.816 -5.575 -0.060 1.00 0.00 C ATOM 895 O ILE A 56 6.052 -5.483 0.895 1.00 0.00 O ATOM 896 CB ILE A 56 8.749 -4.013 0.235 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.599 -2.921 -0.427 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.584 -5.265 0.460 1.00 0.00 C ATOM 899 CD1 ILE A 56 9.075 -1.520 -0.198 1.00 0.00 C ATOM 0 H ILE A 56 6.532 -2.673 0.195 1.00 0.00 H new ATOM 0 HA ILE A 56 7.836 -4.527 -1.644 1.00 0.00 H new ATOM 0 HB ILE A 56 8.406 -3.642 1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.618 -2.985 -0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.647 -3.111 -1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.456 -5.017 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.984 -6.014 0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.911 -5.662 -0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.727 -0.802 -0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.067 -1.438 -0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.053 -1.310 0.871 1.00 0.00 H new ATOM 911 N SER A 57 7.082 -6.725 -0.659 1.00 0.00 N ATOM 912 CA SER A 57 6.475 -7.969 -0.219 1.00 0.00 C ATOM 913 C SER A 57 7.505 -8.879 0.426 1.00 0.00 C ATOM 914 O SER A 57 8.442 -9.345 -0.222 1.00 0.00 O ATOM 915 CB SER A 57 5.808 -8.685 -1.389 1.00 0.00 C ATOM 916 OG SER A 57 5.212 -7.761 -2.280 1.00 0.00 O ATOM 0 H SER A 57 7.716 -6.822 -1.453 1.00 0.00 H new ATOM 0 HA SER A 57 5.716 -7.724 0.524 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.547 -9.284 -1.922 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.051 -9.373 -1.014 1.00 0.00 H new ATOM 0 HG SER A 57 5.912 -7.271 -2.760 1.00 0.00 H new ATOM 922 N ILE A 58 7.315 -9.116 1.709 1.00 0.00 N ATOM 923 CA ILE A 58 8.215 -9.964 2.482 1.00 0.00 C ATOM 924 C ILE A 58 7.701 -11.399 2.566 1.00 0.00 C ATOM 925 O ILE A 58 6.666 -11.666 3.179 1.00 0.00 O ATOM 926 CB ILE A 58 8.412 -9.418 3.910 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.052 -8.029 3.867 1.00 0.00 C ATOM 928 CG2 ILE A 58 9.265 -10.373 4.734 1.00 0.00 C ATOM 929 CD1 ILE A 58 8.405 -7.037 4.809 1.00 0.00 C ATOM 0 H ILE A 58 6.539 -8.731 2.247 1.00 0.00 H new ATOM 0 HA ILE A 58 9.172 -9.959 1.959 1.00 0.00 H new ATOM 0 HB ILE A 58 7.435 -9.334 4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.110 -8.117 4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.995 -7.642 2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.393 -9.971 5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.772 -11.344 4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.241 -10.489 4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.909 -6.074 4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.353 -6.920 4.548 1.00 0.00 H new ATOM 0 HD13 ILE A 58 8.486 -7.402 5.833 1.00 0.00 H new ATOM 941 N GLN A 59 8.443 -12.318 1.955 1.00 0.00 N ATOM 942 CA GLN A 59 8.089 -13.730 1.960 1.00 0.00 C ATOM 943 C GLN A 59 8.854 -14.464 3.056 1.00 0.00 C ATOM 944 O GLN A 59 9.590 -13.848 3.826 1.00 0.00 O ATOM 945 CB GLN A 59 8.401 -14.352 0.600 1.00 0.00 C ATOM 946 CG GLN A 59 7.170 -14.832 -0.149 1.00 0.00 C ATOM 947 CD GLN A 59 6.305 -15.761 0.680 1.00 0.00 C ATOM 948 OE1 GLN A 59 5.206 -15.396 1.098 1.00 0.00 O ATOM 949 NE2 GLN A 59 6.798 -16.970 0.924 1.00 0.00 N ATOM 0 H GLN A 59 9.301 -12.105 1.446 1.00 0.00 H new ATOM 0 HA GLN A 59 7.021 -13.822 2.157 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.926 -13.619 -0.013 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.080 -15.193 0.742 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.578 -13.970 -0.457 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.481 -15.347 -1.058 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.714 -17.231 0.558 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.261 -17.638 1.477 1.00 0.00 H new ATOM 958 N GLN A 60 8.681 -15.780 3.121 1.00 0.00 N ATOM 959 CA GLN A 60 9.366 -16.590 4.124 1.00 0.00 C ATOM 960 C GLN A 60 10.879 -16.505 3.940 1.00 0.00 C ATOM 961 O GLN A 60 11.643 -16.757 4.871 1.00 0.00 O ATOM 962 CB GLN A 60 8.911 -18.048 4.037 1.00 0.00 C ATOM 963 CG GLN A 60 8.974 -18.623 2.631 1.00 0.00 C ATOM 964 CD GLN A 60 8.888 -20.137 2.613 1.00 0.00 C ATOM 965 OE1 GLN A 60 9.006 -20.790 3.650 1.00 0.00 O ATOM 966 NE2 GLN A 60 8.681 -20.702 1.430 1.00 0.00 N ATOM 0 H GLN A 60 8.074 -16.308 2.493 1.00 0.00 H new ATOM 0 HA GLN A 60 9.110 -16.200 5.109 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.533 -18.654 4.696 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.888 -18.123 4.406 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.159 -18.210 2.037 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.904 -18.310 2.156 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.589 -20.121 0.597 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.614 -21.717 1.354 1.00 0.00 H new ATOM 975 N TYR A 61 11.300 -16.144 2.731 1.00 0.00 N ATOM 976 CA TYR A 61 12.718 -16.017 2.416 1.00 0.00 C ATOM 977 C TYR A 61 13.136 -14.550 2.390 1.00 0.00 C ATOM 978 O TYR A 61 14.226 -14.212 1.926 1.00 0.00 O ATOM 979 CB TYR A 61 13.025 -16.668 1.063 1.00 0.00 C ATOM 980 CG TYR A 61 12.958 -18.180 1.079 1.00 0.00 C ATOM 981 CD1 TYR A 61 13.628 -18.918 2.047 1.00 0.00 C ATOM 982 CD2 TYR A 61 12.224 -18.868 0.121 1.00 0.00 C ATOM 983 CE1 TYR A 61 13.567 -20.299 2.060 1.00 0.00 C ATOM 984 CE2 TYR A 61 12.158 -20.249 0.128 1.00 0.00 C ATOM 985 CZ TYR A 61 12.832 -20.959 1.099 1.00 0.00 C ATOM 986 OH TYR A 61 12.769 -22.334 1.110 1.00 0.00 O ATOM 0 H TYR A 61 10.676 -15.934 1.952 1.00 0.00 H new ATOM 0 HA TYR A 61 13.285 -16.529 3.194 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.321 -16.291 0.322 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.020 -16.362 0.741 1.00 0.00 H new ATOM 0 HD1 TYR A 61 14.206 -18.405 2.801 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.696 -18.315 -0.642 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.093 -20.858 2.820 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.582 -20.769 -0.623 1.00 0.00 H new ATOM 0 HH TYR A 61 12.209 -22.642 0.367 1.00 0.00 H new ATOM 996 N GLY A 62 12.257 -13.685 2.886 1.00 0.00 N ATOM 997 CA GLY A 62 12.544 -12.262 2.907 1.00 0.00 C ATOM 998 C GLY A 62 11.854 -11.516 1.782 1.00 0.00 C ATOM 999 O GLY A 62 11.245 -12.132 0.906 1.00 0.00 O ATOM 0 H GLY A 62 11.350 -13.944 3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.228 -11.845 3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.621 -12.110 2.833 1.00 0.00 H new ATOM 1003 N HIS A 63 11.950 -10.189 1.804 1.00 0.00 N ATOM 1004 CA HIS A 63 11.332 -9.358 0.772 1.00 0.00 C ATOM 1005 C HIS A 63 11.773 -9.807 -0.616 1.00 0.00 C ATOM 1006 O HIS A 63 12.890 -10.295 -0.789 1.00 0.00 O ATOM 1007 CB HIS A 63 11.695 -7.887 0.988 1.00 0.00 C ATOM 1008 CG HIS A 63 13.168 -7.610 0.935 1.00 0.00 C ATOM 1009 ND1 HIS A 63 13.715 -6.838 -0.060 1.00 0.00 N ATOM 1010 CD2 HIS A 63 14.155 -8.017 1.773 1.00 0.00 C ATOM 1011 CE1 HIS A 63 15.012 -6.791 0.189 1.00 0.00 C ATOM 1012 NE2 HIS A 63 15.326 -7.491 1.289 1.00 0.00 N ATOM 0 H HIS A 63 12.449 -9.666 2.524 1.00 0.00 H new ATOM 0 HA HIS A 63 10.250 -9.470 0.845 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.195 -7.284 0.230 1.00 0.00 H new ATOM 0 HB3 HIS A 63 11.310 -7.566 1.956 1.00 0.00 H new ATOM 0 HD2 HIS A 63 14.041 -8.635 2.651 1.00 0.00 H new ATOM 0 HE1 HIS A 63 15.729 -6.256 -0.417 1.00 0.00 H new ATOM 0 HE2 HIS A 63 16.257 -7.610 1.689 1.00 0.00 H new ATOM 1020 N GLN A 64 10.891 -9.657 -1.604 1.00 0.00 N ATOM 1021 CA GLN A 64 11.214 -10.073 -2.966 1.00 0.00 C ATOM 1022 C GLN A 64 10.241 -9.502 -3.997 1.00 0.00 C ATOM 1023 O GLN A 64 10.443 -9.672 -5.200 1.00 0.00 O ATOM 1024 CB GLN A 64 11.207 -11.601 -3.057 1.00 0.00 C ATOM 1025 CG GLN A 64 10.237 -12.267 -2.091 1.00 0.00 C ATOM 1026 CD GLN A 64 10.218 -13.776 -2.235 1.00 0.00 C ATOM 1027 OE1 GLN A 64 9.355 -14.336 -2.909 1.00 0.00 O ATOM 1028 NE2 GLN A 64 11.174 -14.444 -1.597 1.00 0.00 N ATOM 0 H GLN A 64 9.960 -9.256 -1.489 1.00 0.00 H new ATOM 0 HA GLN A 64 12.206 -9.682 -3.194 1.00 0.00 H new ATOM 0 HB2 GLN A 64 10.951 -11.894 -4.075 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.213 -11.972 -2.862 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.511 -12.006 -1.069 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.234 -11.876 -2.262 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.870 -13.939 -1.049 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.211 -15.462 -1.656 1.00 0.00 H new ATOM 1037 N GLU A 65 9.183 -8.841 -3.539 1.00 0.00 N ATOM 1038 CA GLU A 65 8.199 -8.280 -4.461 1.00 0.00 C ATOM 1039 C GLU A 65 7.852 -6.838 -4.113 1.00 0.00 C ATOM 1040 O GLU A 65 7.235 -6.574 -3.093 1.00 0.00 O ATOM 1041 CB GLU A 65 6.929 -9.129 -4.413 1.00 0.00 C ATOM 1042 CG GLU A 65 6.453 -9.603 -5.776 1.00 0.00 C ATOM 1043 CD GLU A 65 5.246 -10.516 -5.688 1.00 0.00 C ATOM 1044 OE1 GLU A 65 4.139 -10.012 -5.398 1.00 0.00 O ATOM 1045 OE2 GLU A 65 5.406 -11.735 -5.907 1.00 0.00 O ATOM 0 H GLU A 65 8.985 -8.682 -2.551 1.00 0.00 H new ATOM 0 HA GLU A 65 8.631 -8.288 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.108 -9.998 -3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.134 -8.550 -3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.205 -8.738 -6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.265 -10.129 -6.278 1.00 0.00 H new ATOM 1052 N VAL A 66 8.225 -5.904 -4.976 1.00 0.00 N ATOM 1053 CA VAL A 66 7.916 -4.504 -4.727 1.00 0.00 C ATOM 1054 C VAL A 66 7.424 -3.786 -5.980 1.00 0.00 C ATOM 1055 O VAL A 66 7.928 -4.011 -7.082 1.00 0.00 O ATOM 1056 CB VAL A 66 9.118 -3.763 -4.120 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.392 -4.072 -4.882 1.00 0.00 C ATOM 1058 CG2 VAL A 66 8.863 -2.263 -4.065 1.00 0.00 C ATOM 0 H VAL A 66 8.734 -6.086 -5.841 1.00 0.00 H new ATOM 0 HA VAL A 66 7.102 -4.493 -4.003 1.00 0.00 H new ATOM 0 HB VAL A 66 9.248 -4.118 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.226 -3.534 -4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.588 -5.144 -4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.279 -3.761 -5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.729 -1.762 -3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.693 -1.886 -5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.984 -2.066 -3.451 1.00 0.00 H new ATOM 1068 N THR A 67 6.437 -2.913 -5.794 1.00 0.00 N ATOM 1069 CA THR A 67 5.866 -2.141 -6.890 1.00 0.00 C ATOM 1070 C THR A 67 5.759 -0.666 -6.513 1.00 0.00 C ATOM 1071 O THR A 67 5.122 -0.317 -5.518 1.00 0.00 O ATOM 1072 CB THR A 67 4.470 -2.669 -7.276 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.536 -4.075 -7.542 1.00 0.00 O ATOM 1074 CG2 THR A 67 3.931 -1.941 -8.497 1.00 0.00 C ATOM 0 H THR A 67 6.014 -2.723 -4.885 1.00 0.00 H new ATOM 0 HA THR A 67 6.533 -2.249 -7.745 1.00 0.00 H new ATOM 0 HB THR A 67 3.794 -2.488 -6.440 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.645 -4.404 -7.785 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.945 -2.332 -8.748 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.854 -0.875 -8.281 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.607 -2.092 -9.339 1.00 0.00 H new ATOM 1082 N ARG A 68 6.393 0.195 -7.302 1.00 0.00 N ATOM 1083 CA ARG A 68 6.378 1.632 -7.040 1.00 0.00 C ATOM 1084 C ARG A 68 5.127 2.288 -7.618 1.00 0.00 C ATOM 1085 O ARG A 68 4.671 1.930 -8.704 1.00 0.00 O ATOM 1086 CB ARG A 68 7.630 2.282 -7.627 1.00 0.00 C ATOM 1087 CG ARG A 68 8.869 1.410 -7.507 1.00 0.00 C ATOM 1088 CD ARG A 68 9.370 0.964 -8.870 1.00 0.00 C ATOM 1089 NE ARG A 68 8.308 0.371 -9.677 1.00 0.00 N ATOM 1090 CZ ARG A 68 8.508 -0.185 -10.868 1.00 0.00 C ATOM 1091 NH1 ARG A 68 9.726 -0.217 -11.393 1.00 0.00 N ATOM 1092 NH2 ARG A 68 7.489 -0.708 -11.537 1.00 0.00 N ATOM 0 H ARG A 68 6.924 -0.076 -8.129 1.00 0.00 H new ATOM 0 HA ARG A 68 6.367 1.779 -5.960 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.454 2.510 -8.678 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.811 3.230 -7.121 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.655 1.962 -6.992 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.642 0.535 -6.898 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.792 1.819 -9.398 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.174 0.240 -8.741 1.00 0.00 H new ATOM 0 HE ARG A 68 7.358 0.384 -9.306 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.512 0.186 -10.883 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.876 -0.644 -12.307 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.551 -0.684 -11.138 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.644 -1.134 -12.451 1.00 0.00 H new ATOM 1106 N PHE A 69 4.576 3.251 -6.880 1.00 0.00 N ATOM 1107 CA PHE A 69 3.375 3.958 -7.318 1.00 0.00 C ATOM 1108 C PHE A 69 3.268 5.336 -6.667 1.00 0.00 C ATOM 1109 O PHE A 69 3.847 5.584 -5.610 1.00 0.00 O ATOM 1110 CB PHE A 69 2.128 3.132 -6.991 1.00 0.00 C ATOM 1111 CG PHE A 69 2.193 2.434 -5.659 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.209 3.161 -4.479 1.00 0.00 C ATOM 1113 CD2 PHE A 69 2.237 1.050 -5.591 1.00 0.00 C ATOM 1114 CE1 PHE A 69 2.266 2.520 -3.255 1.00 0.00 C ATOM 1115 CE2 PHE A 69 2.294 0.405 -4.370 1.00 0.00 C ATOM 1116 CZ PHE A 69 2.309 1.141 -3.200 1.00 0.00 C ATOM 0 H PHE A 69 4.941 3.558 -5.979 1.00 0.00 H new ATOM 0 HA PHE A 69 3.447 4.097 -8.397 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.256 3.786 -7.006 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.981 2.388 -7.774 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.177 4.240 -4.516 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.227 0.470 -6.502 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.277 3.098 -2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.327 -0.674 -4.330 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.354 0.639 -2.245 1.00 0.00 H new ATOM 1126 N ASP A 70 2.501 6.219 -7.303 1.00 0.00 N ATOM 1127 CA ASP A 70 2.284 7.569 -6.793 1.00 0.00 C ATOM 1128 C ASP A 70 0.817 7.750 -6.427 1.00 0.00 C ATOM 1129 O ASP A 70 -0.067 7.429 -7.221 1.00 0.00 O ATOM 1130 CB ASP A 70 2.696 8.613 -7.832 1.00 0.00 C ATOM 1131 CG ASP A 70 3.627 8.047 -8.886 1.00 0.00 C ATOM 1132 OD1 ASP A 70 3.126 7.521 -9.902 1.00 0.00 O ATOM 1133 OD2 ASP A 70 4.859 8.134 -8.698 1.00 0.00 O ATOM 0 H ASP A 70 2.017 6.021 -8.179 1.00 0.00 H new ATOM 0 HA ASP A 70 2.899 7.708 -5.904 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.804 9.011 -8.316 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.186 9.447 -7.330 1.00 0.00 H new ATOM 1138 N PHE A 71 0.553 8.237 -5.219 1.00 0.00 N ATOM 1139 CA PHE A 71 -0.822 8.418 -4.771 1.00 0.00 C ATOM 1140 C PHE A 71 -0.960 9.544 -3.747 1.00 0.00 C ATOM 1141 O PHE A 71 0.020 9.980 -3.144 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.344 7.112 -4.172 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.025 6.957 -2.711 1.00 0.00 C ATOM 1144 CD1 PHE A 71 0.274 6.709 -2.293 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -2.023 7.069 -1.757 1.00 0.00 C ATOM 1146 CE1 PHE A 71 0.569 6.573 -0.950 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -1.734 6.933 -0.413 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.436 6.685 -0.009 1.00 0.00 C ATOM 0 H PHE A 71 1.264 8.510 -4.540 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.413 8.697 -5.643 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.425 7.065 -4.308 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.917 6.273 -4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.063 6.621 -3.025 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.039 7.265 -2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.584 6.379 -0.636 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.521 7.020 0.321 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.208 6.579 1.041 1.00 0.00 H new ATOM 1158 N THR A 72 -2.200 9.985 -3.552 1.00 0.00 N ATOM 1159 CA THR A 72 -2.519 11.036 -2.597 1.00 0.00 C ATOM 1160 C THR A 72 -3.832 10.712 -1.894 1.00 0.00 C ATOM 1161 O THR A 72 -4.562 9.820 -2.325 1.00 0.00 O ATOM 1162 CB THR A 72 -2.638 12.416 -3.274 1.00 0.00 C ATOM 1163 OG1 THR A 72 -3.894 12.520 -3.957 1.00 0.00 O ATOM 1164 CG2 THR A 72 -1.502 12.641 -4.259 1.00 0.00 C ATOM 0 H THR A 72 -3.011 9.622 -4.053 1.00 0.00 H new ATOM 0 HA THR A 72 -1.702 11.081 -1.877 1.00 0.00 H new ATOM 0 HB THR A 72 -2.579 13.180 -2.498 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.963 13.400 -4.383 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.611 13.622 -4.722 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.549 12.592 -3.733 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.531 11.871 -5.030 1.00 0.00 H new ATOM 1172 N THR A 73 -4.125 11.432 -0.813 1.00 0.00 N ATOM 1173 CA THR A 73 -5.355 11.210 -0.055 1.00 0.00 C ATOM 1174 C THR A 73 -6.551 11.013 -0.984 1.00 0.00 C ATOM 1175 O THR A 73 -7.197 9.965 -0.964 1.00 0.00 O ATOM 1176 CB THR A 73 -5.648 12.386 0.895 1.00 0.00 C ATOM 1177 OG1 THR A 73 -7.040 12.410 1.232 1.00 0.00 O ATOM 1178 CG2 THR A 73 -5.252 13.707 0.258 1.00 0.00 C ATOM 0 H THR A 73 -3.529 12.172 -0.443 1.00 0.00 H new ATOM 0 HA THR A 73 -5.203 10.304 0.532 1.00 0.00 H new ATOM 0 HB THR A 73 -5.059 12.247 1.801 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.217 13.160 1.838 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.468 14.523 0.948 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.186 13.697 0.031 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.817 13.851 -0.663 1.00 0.00 H new ATOM 1186 N THR A 74 -6.831 12.024 -1.802 1.00 0.00 N ATOM 1187 CA THR A 74 -7.941 11.967 -2.747 1.00 0.00 C ATOM 1188 C THR A 74 -7.988 13.228 -3.607 1.00 0.00 C ATOM 1189 O THR A 74 -8.705 14.180 -3.296 1.00 0.00 O ATOM 1190 CB THR A 74 -9.296 11.789 -2.031 1.00 0.00 C ATOM 1191 OG1 THR A 74 -10.371 12.081 -2.932 1.00 0.00 O ATOM 1192 CG2 THR A 74 -9.394 12.692 -0.809 1.00 0.00 C ATOM 0 H THR A 74 -6.302 12.896 -1.829 1.00 0.00 H new ATOM 0 HA THR A 74 -7.769 11.098 -3.383 1.00 0.00 H new ATOM 0 HB THR A 74 -9.368 10.753 -1.701 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.227 11.964 -2.469 1.00 0.00 H new ATOM 0 HG21 THR A 74 -10.359 12.545 -0.325 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.596 12.445 -0.109 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.297 13.733 -1.117 1.00 0.00 H new ATOM 1200 N SER A 75 -7.216 13.228 -4.688 1.00 0.00 N ATOM 1201 CA SER A 75 -7.167 14.372 -5.591 1.00 0.00 C ATOM 1202 C SER A 75 -6.607 13.975 -6.953 1.00 0.00 C ATOM 1203 O SER A 75 -7.198 14.282 -7.989 1.00 0.00 O ATOM 1204 CB SER A 75 -6.316 15.489 -4.983 1.00 0.00 C ATOM 1205 OG SER A 75 -6.171 16.570 -5.890 1.00 0.00 O ATOM 0 H SER A 75 -6.616 12.449 -4.960 1.00 0.00 H new ATOM 0 HA SER A 75 -8.186 14.733 -5.733 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.779 15.843 -4.062 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.334 15.099 -4.717 1.00 0.00 H new ATOM 0 HG SER A 75 -5.625 17.272 -5.478 1.00 0.00 H new ATOM 1211 N THR A 76 -5.463 13.297 -6.947 1.00 0.00 N ATOM 1212 CA THR A 76 -4.825 12.866 -8.187 1.00 0.00 C ATOM 1213 C THR A 76 -4.534 11.366 -8.172 1.00 0.00 C ATOM 1214 O THR A 76 -5.054 10.635 -7.329 1.00 0.00 O ATOM 1215 CB THR A 76 -3.513 13.643 -8.433 1.00 0.00 C ATOM 1216 OG1 THR A 76 -3.108 13.505 -9.800 1.00 0.00 O ATOM 1217 CG2 THR A 76 -2.401 13.150 -7.517 1.00 0.00 C ATOM 0 H THR A 76 -4.960 13.035 -6.100 1.00 0.00 H new ATOM 0 HA THR A 76 -5.523 13.078 -8.997 1.00 0.00 H new ATOM 0 HB THR A 76 -3.699 14.694 -8.213 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.276 14.002 -9.947 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.490 13.716 -7.713 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.697 13.289 -6.477 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.218 12.092 -7.704 1.00 0.00 H new ATOM 1225 N SER A 77 -3.701 10.920 -9.113 1.00 0.00 N ATOM 1226 CA SER A 77 -3.331 9.511 -9.223 1.00 0.00 C ATOM 1227 C SER A 77 -4.532 8.652 -9.611 1.00 0.00 C ATOM 1228 O SER A 77 -5.679 9.007 -9.339 1.00 0.00 O ATOM 1229 CB SER A 77 -2.731 9.010 -7.907 1.00 0.00 C ATOM 1230 OG SER A 77 -3.110 7.668 -7.650 1.00 0.00 O ATOM 0 H SER A 77 -3.268 11.521 -9.814 1.00 0.00 H new ATOM 0 HA SER A 77 -2.582 9.425 -10.010 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.644 9.082 -7.949 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.062 9.648 -7.087 1.00 0.00 H new ATOM 0 HG SER A 77 -2.321 7.150 -7.387 1.00 0.00 H new ATOM 1236 N THR A 78 -4.255 7.518 -10.248 1.00 0.00 N ATOM 1237 CA THR A 78 -5.302 6.601 -10.676 1.00 0.00 C ATOM 1238 C THR A 78 -4.709 5.256 -11.086 1.00 0.00 C ATOM 1239 O THR A 78 -3.615 5.198 -11.648 1.00 0.00 O ATOM 1240 CB THR A 78 -6.111 7.170 -11.858 1.00 0.00 C ATOM 1241 OG1 THR A 78 -5.415 8.278 -12.442 1.00 0.00 O ATOM 1242 CG2 THR A 78 -7.494 7.615 -11.405 1.00 0.00 C ATOM 0 H THR A 78 -3.310 7.213 -10.479 1.00 0.00 H new ATOM 0 HA THR A 78 -5.970 6.466 -9.825 1.00 0.00 H new ATOM 0 HB THR A 78 -6.226 6.382 -12.602 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.936 8.632 -13.193 1.00 0.00 H new ATOM 0 HG21 THR A 78 -8.045 8.013 -12.257 1.00 0.00 H new ATOM 0 HG22 THR A 78 -8.033 6.763 -10.990 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.396 8.388 -10.643 1.00 0.00 H new ATOM 1250 N PRO A 79 -5.423 4.152 -10.806 1.00 0.00 N ATOM 1251 CA PRO A 79 -4.958 2.805 -11.146 1.00 0.00 C ATOM 1252 C PRO A 79 -5.116 2.492 -12.630 1.00 0.00 C ATOM 1253 O PRO A 79 -6.127 1.932 -13.054 1.00 0.00 O ATOM 1254 CB PRO A 79 -5.863 1.908 -10.306 1.00 0.00 C ATOM 1255 CG PRO A 79 -7.132 2.675 -10.177 1.00 0.00 C ATOM 1256 CD PRO A 79 -6.738 4.128 -10.134 1.00 0.00 C ATOM 0 HA PRO A 79 -3.895 2.672 -10.946 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.028 0.946 -10.791 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.423 1.702 -9.330 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -7.795 2.476 -11.019 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -7.670 2.390 -9.273 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -7.464 4.756 -10.651 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -6.672 4.495 -9.110 1.00 0.00 H new ATOM 1264 N GLY A 80 -4.108 2.860 -13.414 1.00 0.00 N ATOM 1265 CA GLY A 80 -4.150 2.614 -14.844 1.00 0.00 C ATOM 1266 C GLY A 80 -3.380 1.369 -15.241 1.00 0.00 C ATOM 1267 O GLY A 80 -3.622 0.286 -14.707 1.00 0.00 O ATOM 0 H GLY A 80 -3.262 3.325 -13.084 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.188 2.513 -15.162 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.738 3.475 -15.370 1.00 0.00 H new ATOM 1271 N SER A 81 -2.451 1.525 -16.178 1.00 0.00 N ATOM 1272 CA SER A 81 -1.641 0.406 -16.648 1.00 0.00 C ATOM 1273 C SER A 81 -0.159 0.769 -16.639 1.00 0.00 C ATOM 1274 O SER A 81 0.287 1.620 -17.408 1.00 0.00 O ATOM 1275 CB SER A 81 -2.070 -0.006 -18.058 1.00 0.00 C ATOM 1276 OG SER A 81 -1.014 -0.652 -18.746 1.00 0.00 O ATOM 0 H SER A 81 -2.240 2.416 -16.628 1.00 0.00 H new ATOM 0 HA SER A 81 -1.796 -0.434 -15.971 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.931 -0.672 -17.999 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.387 0.875 -18.617 1.00 0.00 H new ATOM 0 HG SER A 81 -1.265 -1.581 -18.933 1.00 0.00 H new ATOM 1282 N ARG A 82 0.596 0.116 -15.762 1.00 0.00 N ATOM 1283 CA ARG A 82 2.028 0.368 -15.651 1.00 0.00 C ATOM 1284 C ARG A 82 2.824 -0.666 -16.439 1.00 0.00 C ATOM 1285 O ARG A 82 3.355 -0.370 -17.511 1.00 0.00 O ATOM 1286 CB ARG A 82 2.455 0.350 -14.181 1.00 0.00 C ATOM 1287 CG ARG A 82 3.608 1.291 -13.871 1.00 0.00 C ATOM 1288 CD ARG A 82 3.378 2.042 -12.570 1.00 0.00 C ATOM 1289 NE ARG A 82 2.686 3.310 -12.786 1.00 0.00 N ATOM 1290 CZ ARG A 82 3.272 4.394 -13.287 1.00 0.00 C ATOM 1291 NH1 ARG A 82 4.555 4.364 -13.621 1.00 0.00 N ATOM 1292 NH2 ARG A 82 2.575 5.509 -13.456 1.00 0.00 N ATOM 0 H ARG A 82 0.241 -0.591 -15.118 1.00 0.00 H new ATOM 0 HA ARG A 82 2.234 1.353 -16.070 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.601 0.619 -13.560 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.742 -0.665 -13.907 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.536 0.723 -13.805 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.728 2.003 -14.687 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.794 1.421 -11.891 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.336 2.230 -12.085 1.00 0.00 H new ATOM 0 HE ARG A 82 1.698 3.368 -12.539 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.095 3.508 -13.494 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.002 5.197 -14.005 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.588 5.537 -13.202 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.026 6.339 -13.840 1.00 0.00 H new ATOM 1306 N SER A 83 2.902 -1.880 -15.904 1.00 0.00 N ATOM 1307 CA SER A 83 3.631 -2.961 -16.558 1.00 0.00 C ATOM 1308 C SER A 83 2.688 -4.095 -16.948 1.00 0.00 C ATOM 1309 O SER A 83 3.084 -5.031 -17.642 1.00 0.00 O ATOM 1310 CB SER A 83 4.738 -3.487 -15.640 1.00 0.00 C ATOM 1311 OG SER A 83 4.473 -4.817 -15.226 1.00 0.00 O ATOM 0 H SER A 83 2.469 -2.140 -15.018 1.00 0.00 H new ATOM 0 HA SER A 83 4.084 -2.564 -17.467 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.695 -3.450 -16.161 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.826 -2.842 -14.766 1.00 0.00 H new ATOM 0 HG SER A 83 5.196 -5.128 -14.642 1.00 0.00 H new ATOM 1317 N HIS A 84 1.439 -3.997 -16.496 1.00 0.00 N ATOM 1318 CA HIS A 84 0.424 -5.005 -16.792 1.00 0.00 C ATOM 1319 C HIS A 84 0.781 -6.355 -16.173 1.00 0.00 C ATOM 1320 O HIS A 84 1.948 -6.641 -15.905 1.00 0.00 O ATOM 1321 CB HIS A 84 0.242 -5.151 -18.305 1.00 0.00 C ATOM 1322 CG HIS A 84 -1.164 -4.919 -18.760 1.00 0.00 C ATOM 1323 ND1 HIS A 84 -1.487 -3.864 -19.579 1.00 0.00 N ATOM 1324 CD2 HIS A 84 -2.286 -5.627 -18.485 1.00 0.00 C ATOM 1325 CE1 HIS A 84 -2.788 -3.951 -19.784 1.00 0.00 C ATOM 1326 NE2 HIS A 84 -3.316 -5.005 -19.141 1.00 0.00 N ATOM 0 H HIS A 84 1.105 -3.224 -15.920 1.00 0.00 H new ATOM 0 HA HIS A 84 -0.515 -4.670 -16.351 1.00 0.00 H new ATOM 0 HB2 HIS A 84 0.901 -4.446 -18.812 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.553 -6.151 -18.606 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -2.355 -6.511 -17.868 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -3.356 -3.262 -20.392 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -4.296 -5.288 -19.141 1.00 0.00 H new ATOM 1334 N HIS A 85 -0.237 -7.180 -15.946 1.00 0.00 N ATOM 1335 CA HIS A 85 -0.037 -8.501 -15.358 1.00 0.00 C ATOM 1336 C HIS A 85 -1.129 -9.470 -15.806 1.00 0.00 C ATOM 1337 O HIS A 85 -2.259 -9.417 -15.320 1.00 0.00 O ATOM 1338 CB HIS A 85 -0.017 -8.409 -13.830 1.00 0.00 C ATOM 1339 CG HIS A 85 -1.044 -7.476 -13.262 1.00 0.00 C ATOM 1340 ND1 HIS A 85 -2.117 -7.048 -14.006 1.00 0.00 N ATOM 1341 CD2 HIS A 85 -1.117 -6.927 -12.025 1.00 0.00 C ATOM 1342 CE1 HIS A 85 -2.814 -6.254 -13.213 1.00 0.00 C ATOM 1343 NE2 HIS A 85 -2.247 -6.151 -12.001 1.00 0.00 N ATOM 0 H HIS A 85 -1.209 -6.957 -16.160 1.00 0.00 H new ATOM 0 HA HIS A 85 0.925 -8.880 -15.704 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -0.175 -9.404 -13.414 1.00 0.00 H new ATOM 0 HB3 HIS A 85 0.972 -8.083 -13.509 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.419 -7.073 -11.214 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -3.725 -5.751 -13.503 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -2.591 -5.601 -11.214 1.00 0.00 H new ATOM 1351 N HIS A 86 -0.782 -10.353 -16.737 1.00 0.00 N ATOM 1352 CA HIS A 86 -1.731 -11.333 -17.252 1.00 0.00 C ATOM 1353 C HIS A 86 -1.024 -12.633 -17.622 1.00 0.00 C ATOM 1354 O HIS A 86 0.169 -12.637 -17.926 1.00 0.00 O ATOM 1355 CB HIS A 86 -2.462 -10.773 -18.473 1.00 0.00 C ATOM 1356 CG HIS A 86 -1.550 -10.433 -19.611 1.00 0.00 C ATOM 1357 ND1 HIS A 86 -1.127 -11.390 -20.500 1.00 0.00 N ATOM 1358 CD2 HIS A 86 -1.014 -9.238 -19.958 1.00 0.00 C ATOM 1359 CE1 HIS A 86 -0.347 -10.764 -21.362 1.00 0.00 C ATOM 1360 NE2 HIS A 86 -0.247 -9.457 -21.074 1.00 0.00 N ATOM 0 H HIS A 86 0.149 -10.410 -17.150 1.00 0.00 H new ATOM 0 HA HIS A 86 -2.457 -11.545 -16.467 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.197 -11.502 -18.813 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.012 -9.879 -18.179 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.162 -8.295 -19.453 1.00 0.00 H new ATOM 0 HE1 HIS A 86 0.148 -11.243 -22.194 1.00 0.00 H new ATOM 0 HE2 HIS A 86 0.295 -8.761 -21.586 1.00 0.00 H new ATOM 1368 N HIS A 87 -1.769 -13.734 -17.596 1.00 0.00 N ATOM 1369 CA HIS A 87 -1.214 -15.041 -17.932 1.00 0.00 C ATOM 1370 C HIS A 87 -2.276 -15.940 -18.556 1.00 0.00 C ATOM 1371 O HIS A 87 -3.470 -15.775 -18.302 1.00 0.00 O ATOM 1372 CB HIS A 87 -0.632 -15.706 -16.683 1.00 0.00 C ATOM 1373 CG HIS A 87 0.860 -15.836 -16.710 1.00 0.00 C ATOM 1374 ND1 HIS A 87 1.470 -17.042 -16.954 1.00 0.00 N ATOM 1375 CD2 HIS A 87 1.810 -14.890 -16.518 1.00 0.00 C ATOM 1376 CE1 HIS A 87 2.769 -16.807 -16.904 1.00 0.00 C ATOM 1377 NE2 HIS A 87 3.024 -15.516 -16.642 1.00 0.00 N ATOM 0 H HIS A 87 -2.758 -13.747 -17.346 1.00 0.00 H new ATOM 0 HA HIS A 87 -0.417 -14.894 -18.661 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.922 -15.128 -15.806 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.072 -16.697 -16.571 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.644 -13.844 -16.308 1.00 0.00 H new ATOM 0 HE1 HIS A 87 3.529 -17.559 -17.055 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.943 -15.084 -16.552 1.00 0.00 H new ATOM 1385 N HIS A 88 -1.834 -16.889 -19.376 1.00 0.00 N ATOM 1386 CA HIS A 88 -2.748 -17.814 -20.039 1.00 0.00 C ATOM 1387 C HIS A 88 -2.338 -19.262 -19.787 1.00 0.00 C ATOM 1388 O HIS A 88 -1.337 -19.737 -20.325 1.00 0.00 O ATOM 1389 CB HIS A 88 -2.786 -17.538 -21.544 1.00 0.00 C ATOM 1390 CG HIS A 88 -4.041 -18.012 -22.215 1.00 0.00 C ATOM 1391 ND1 HIS A 88 -4.574 -17.344 -23.291 1.00 0.00 N ATOM 1392 CD2 HIS A 88 -4.824 -19.082 -21.927 1.00 0.00 C ATOM 1393 CE1 HIS A 88 -5.659 -18.016 -23.634 1.00 0.00 C ATOM 1394 NE2 HIS A 88 -5.851 -19.077 -22.836 1.00 0.00 N ATOM 0 H HIS A 88 -0.849 -17.038 -19.597 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.743 -17.660 -19.623 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -2.679 -16.466 -21.710 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.929 -18.021 -22.014 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.669 -19.799 -21.135 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.309 -17.745 -24.453 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.614 -19.751 -22.894 1.00 0.00 H new ATOM 1402 N HIS A 89 -3.122 -19.958 -18.968 1.00 0.00 N ATOM 1403 CA HIS A 89 -2.846 -21.354 -18.645 1.00 0.00 C ATOM 1404 C HIS A 89 -4.137 -22.110 -18.348 1.00 0.00 C ATOM 1405 O HIS A 89 -4.444 -23.069 -19.086 1.00 0.00 O ATOM 1406 CB HIS A 89 -1.898 -21.449 -17.448 1.00 0.00 C ATOM 1407 CG HIS A 89 -0.914 -22.572 -17.555 1.00 0.00 C ATOM 1408 ND1 HIS A 89 -0.859 -23.568 -16.610 1.00 0.00 N ATOM 1409 CD2 HIS A 89 0.022 -22.810 -18.505 1.00 0.00 C ATOM 1410 CE1 HIS A 89 0.103 -24.386 -17.004 1.00 0.00 C ATOM 1411 NE2 HIS A 89 0.665 -23.967 -18.148 1.00 0.00 N ATOM 1412 OXT HIS A 89 -4.830 -21.735 -17.378 1.00 0.00 O ATOM 0 H HIS A 89 -3.954 -19.578 -18.516 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.369 -21.812 -19.512 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -1.355 -20.509 -17.349 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -2.485 -21.576 -16.538 1.00 0.00 H new ATOM 0 HD2 HIS A 89 0.223 -22.204 -19.376 1.00 0.00 H new ATOM 0 HE1 HIS A 89 0.399 -25.278 -16.472 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.425 -24.422 -18.655 1.00 0.00 H new TER 1420 HIS A 89