USER MOD reduce.3.24.130724 H: found=0, std=0, add=1310, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1313 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 502 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 502 CACA :(metal ligand) USER MOD Set 1.1: A 148 LYS NZ :NH3+ -177:sc= 3.1 (180deg=1.86) USER MOD Set 1.2: B 74 SER OG : rot -99:sc= 2.15 USER MOD Set 2.1: A 28 THR OG1 : rot -80:sc= 0.165 USER MOD Set 2.2: A 30 LYS NZ :NH3+ -144:sc= -0.146 (180deg=-1.06) USER MOD Single : A 1 ALA N :NH3+ -123:sc= 0.176 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.404 X(o=0.4,f=-0.074) USER MOD Single : A 5 THR OG1 : rot 86:sc= 1.4 USER MOD Single : A 8 GLN : amide:sc= 0.341 K(o=0.34,f=-0.54) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= -0.0716 (180deg=-0.455) USER MOD Single : A 26 THR OG1 : rot 25:sc= 1.2 USER MOD Single : A 29 THR OG1 : rot 116:sc= 1.25 USER MOD Single : A 34 THR OG1 : rot 74:sc= 1.05 USER MOD Single : A 36 MET CE :methyl -170:sc= -0.266 (180deg=-0.446) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-2.3!,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0659 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -145:sc= -0.846 (180deg=-3.01!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 68:sc= 1.25 USER MOD Single : A 71 MET CE :methyl 169:sc= -2.08 (180deg=-2.2) USER MOD Single : A 72 MET CE :methyl 165:sc= -0.186 (180deg=-0.699) USER MOD Single : A 75 LYS NZ :NH3+ -167:sc= 3.25 (180deg=2.47) USER MOD Single : A 76 MET CE :methyl -162:sc= -0.223 (180deg=-0.96) USER MOD Single : A 77 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0562) USER MOD Single : A 79 THR OG1 : rot 97:sc= 1.24 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN :FLIP amide:sc=-0.00465 F(o=-1.7!,f=-0.0047) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.0514 X(o=-0.051,f=-0.018) USER MOD Single : A 109 MET CE :methyl -167:sc= -0.201 (180deg=-0.322) USER MOD Single : A 110 THR OG1 : rot 78:sc= 1.07 USER MOD Single : A 111 ASN : amide:sc=-0.00431 K(o=-0.0043,f=-1.4) USER MOD Single : A 115 LYS NZ :NH3+ 167:sc= -0.0474 (180deg=-0.25) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 124 MET CE :methyl 177:sc= -0.998 (180deg=-1.07) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 137 ASN : amide:sc= 1.06 K(o=1.1,f=-0.52) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.441 K(o=-0.44,f=-2.2) USER MOD Single : A 144 MET CE :methyl -138:sc= -0.622 (180deg=-2.54!) USER MOD Single : A 145 MET CE :methyl 173:sc= -0.466 (180deg=-0.697) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : B 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 78 SER OG : rot -36:sc= 0.172 USER MOD Single : B 80 HIS : no HE2:sc= 1.04 K(o=1,f=-6.1!) USER MOD Single : B 82 LYS NZ :NH3+ 159:sc= 1.24 (180deg=0.233) USER MOD Single : B 86 LYS NZ :NH3+ 150:sc= 2.34 (180deg=1.58) USER MOD Single : B 87 HIS : no HD1:sc= 1.04 K(o=1,f=-5.7!) USER MOD Single : B 90 GLN :FLIP amide:sc= -0.0226 F(o=-1.8!,f=-0.023) USER MOD Single : B 91 LYS NZ :NH3+ 143:sc= 1.31 (180deg=1.18) USER MOD Single : B 93 LYS NZ :NH3+ 174:sc= 1.66 (180deg=1.3) USER MOD Single : B 94 HIS : no HD1:sc= -0.53 K(o=-0.53,f=-3.3!) USER MOD Single : B 95 MET CE :methyl -161:sc= 0 (180deg=-0.0932) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.478 9.575 -14.718 1.00 0.00 N ATOM 2 CA ALA A 1 -8.968 8.378 -14.042 1.00 0.00 C ATOM 3 C ALA A 1 -9.664 7.499 -15.064 1.00 0.00 C ATOM 4 O ALA A 1 -9.587 7.787 -16.261 1.00 0.00 O ATOM 5 CB ALA A 1 -9.916 8.757 -12.909 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.451 9.659 -14.574 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.681 9.507 -15.736 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.952 10.414 -14.326 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.135 7.831 -13.601 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.272 7.853 -12.415 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.389 9.381 -12.187 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.765 9.308 -13.314 1.00 0.00 H new ATOM 13 N ASP A 2 -10.320 6.415 -14.593 1.00 0.00 N ATOM 14 CA ASP A 2 -11.103 5.477 -15.444 1.00 0.00 C ATOM 15 C ASP A 2 -10.231 4.669 -16.396 1.00 0.00 C ATOM 16 O ASP A 2 -9.983 3.488 -16.166 1.00 0.00 O ATOM 17 CB ASP A 2 -12.246 6.198 -16.195 1.00 0.00 C ATOM 18 CG ASP A 2 -13.044 5.286 -17.112 1.00 0.00 C ATOM 19 OD1 ASP A 2 -12.752 5.237 -18.333 1.00 0.00 O ATOM 20 OD2 ASP A 2 -13.978 4.607 -16.635 1.00 0.00 O ATOM 0 H ASP A 2 -10.324 6.160 -13.605 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.558 4.760 -14.761 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.921 6.647 -15.467 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.825 7.013 -16.784 1.00 0.00 H new ATOM 25 N GLN A 3 -9.737 5.312 -17.410 1.00 0.00 N ATOM 26 CA GLN A 3 -8.945 4.675 -18.417 1.00 0.00 C ATOM 27 C GLN A 3 -7.521 4.575 -17.944 1.00 0.00 C ATOM 28 O GLN A 3 -6.864 5.582 -17.692 1.00 0.00 O ATOM 29 CB GLN A 3 -9.046 5.466 -19.706 1.00 0.00 C ATOM 30 CG GLN A 3 -8.289 4.884 -20.904 1.00 0.00 C ATOM 31 CD GLN A 3 -8.712 3.467 -21.266 1.00 0.00 C ATOM 32 OE1 GLN A 3 -9.653 3.268 -22.033 1.00 0.00 O ATOM 33 NE2 GLN A 3 -7.985 2.485 -20.786 1.00 0.00 N ATOM 0 H GLN A 3 -9.875 6.311 -17.563 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.311 3.666 -18.605 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -10.099 5.556 -19.974 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.677 6.475 -19.522 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -8.441 5.531 -21.768 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.221 4.890 -20.686 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.212 2.686 -20.152 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.193 1.521 -21.047 1.00 0.00 H new ATOM 42 N LEU A 4 -7.061 3.372 -17.804 1.00 0.00 N ATOM 43 CA LEU A 4 -5.747 3.130 -17.315 1.00 0.00 C ATOM 44 C LEU A 4 -4.849 2.745 -18.484 1.00 0.00 C ATOM 45 O LEU A 4 -5.348 2.343 -19.550 1.00 0.00 O ATOM 46 CB LEU A 4 -5.815 2.015 -16.270 1.00 0.00 C ATOM 47 CG LEU A 4 -4.600 1.810 -15.355 1.00 0.00 C ATOM 48 CD1 LEU A 4 -4.134 3.123 -14.743 1.00 0.00 C ATOM 49 CD2 LEU A 4 -4.965 0.839 -14.252 1.00 0.00 C ATOM 0 H LEU A 4 -7.590 2.529 -18.027 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.331 4.021 -16.845 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.682 2.203 -15.637 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.001 1.077 -16.794 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.783 1.411 -15.956 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.272 2.940 -14.101 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.854 3.815 -15.537 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.941 3.556 -14.152 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.105 0.690 -13.599 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.795 1.242 -13.672 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.258 -0.115 -14.690 1.00 0.00 H new ATOM 61 N THR A 5 -3.567 2.871 -18.300 1.00 0.00 N ATOM 62 CA THR A 5 -2.602 2.565 -19.315 1.00 0.00 C ATOM 63 C THR A 5 -2.146 1.093 -19.232 1.00 0.00 C ATOM 64 O THR A 5 -2.255 0.460 -18.169 1.00 0.00 O ATOM 65 CB THR A 5 -1.430 3.539 -19.188 1.00 0.00 C ATOM 66 OG1 THR A 5 -1.082 3.656 -17.796 1.00 0.00 O ATOM 67 CG2 THR A 5 -1.825 4.906 -19.723 1.00 0.00 C ATOM 0 H THR A 5 -3.156 3.195 -17.425 1.00 0.00 H new ATOM 0 HA THR A 5 -3.055 2.685 -20.299 1.00 0.00 H new ATOM 0 HB THR A 5 -0.582 3.168 -19.763 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.454 2.943 -17.555 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.983 5.591 -19.627 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.105 4.819 -20.773 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.671 5.289 -19.153 1.00 0.00 H new ATOM 75 N GLU A 6 -1.648 0.571 -20.355 1.00 0.00 N ATOM 76 CA GLU A 6 -1.275 -0.840 -20.521 1.00 0.00 C ATOM 77 C GLU A 6 -0.350 -1.376 -19.427 1.00 0.00 C ATOM 78 O GLU A 6 -0.624 -2.434 -18.860 1.00 0.00 O ATOM 79 CB GLU A 6 -0.618 -1.057 -21.880 1.00 0.00 C ATOM 80 CG GLU A 6 -0.153 -2.479 -22.124 1.00 0.00 C ATOM 81 CD GLU A 6 0.593 -2.618 -23.410 1.00 0.00 C ATOM 82 OE1 GLU A 6 0.002 -3.069 -24.405 1.00 0.00 O ATOM 83 OE2 GLU A 6 1.797 -2.279 -23.449 1.00 0.00 O ATOM 0 H GLU A 6 -1.488 1.128 -21.194 1.00 0.00 H new ATOM 0 HA GLU A 6 -2.208 -1.399 -20.446 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.325 -0.778 -22.662 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.237 -0.386 -21.969 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.486 -2.797 -21.300 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.016 -3.145 -22.133 1.00 0.00 H new ATOM 90 N GLU A 7 0.731 -0.660 -19.140 1.00 0.00 N ATOM 91 CA GLU A 7 1.701 -1.120 -18.174 1.00 0.00 C ATOM 92 C GLU A 7 1.117 -1.278 -16.781 1.00 0.00 C ATOM 93 O GLU A 7 1.389 -2.274 -16.107 1.00 0.00 O ATOM 94 CB GLU A 7 3.035 -0.319 -18.213 1.00 0.00 C ATOM 95 CG GLU A 7 2.945 1.187 -18.512 1.00 0.00 C ATOM 96 CD GLU A 7 2.087 1.956 -17.559 1.00 0.00 C ATOM 97 OE1 GLU A 7 2.623 2.558 -16.607 1.00 0.00 O ATOM 98 OE2 GLU A 7 0.866 1.980 -17.756 1.00 0.00 O ATOM 0 H GLU A 7 0.951 0.240 -19.566 1.00 0.00 H new ATOM 0 HA GLU A 7 1.976 -2.128 -18.483 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.531 -0.443 -17.250 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.680 -0.774 -18.965 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.950 1.608 -18.498 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.557 1.322 -19.522 1.00 0.00 H new ATOM 105 N GLN A 8 0.277 -0.336 -16.386 1.00 0.00 N ATOM 106 CA GLN A 8 -0.416 -0.406 -15.117 1.00 0.00 C ATOM 107 C GLN A 8 -1.405 -1.549 -15.130 1.00 0.00 C ATOM 108 O GLN A 8 -1.480 -2.313 -14.193 1.00 0.00 O ATOM 109 CB GLN A 8 -1.153 0.899 -14.809 1.00 0.00 C ATOM 110 CG GLN A 8 -0.258 2.108 -14.686 1.00 0.00 C ATOM 111 CD GLN A 8 0.776 1.960 -13.591 1.00 0.00 C ATOM 112 OE1 GLN A 8 0.534 1.322 -12.566 1.00 0.00 O ATOM 113 NE2 GLN A 8 1.946 2.481 -13.824 1.00 0.00 N ATOM 0 H GLN A 8 0.059 0.495 -16.936 1.00 0.00 H new ATOM 0 HA GLN A 8 0.331 -0.571 -14.340 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.885 1.083 -15.596 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.708 0.777 -13.879 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.247 2.279 -15.637 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.869 2.988 -14.487 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.109 3.003 -14.685 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.699 2.367 -13.146 1.00 0.00 H new ATOM 122 N ILE A 9 -2.139 -1.683 -16.212 1.00 0.00 N ATOM 123 CA ILE A 9 -3.131 -2.740 -16.320 1.00 0.00 C ATOM 124 C ILE A 9 -2.484 -4.132 -16.256 1.00 0.00 C ATOM 125 O ILE A 9 -2.965 -5.002 -15.545 1.00 0.00 O ATOM 126 CB ILE A 9 -4.031 -2.564 -17.580 1.00 0.00 C ATOM 127 CG1 ILE A 9 -4.818 -1.258 -17.437 1.00 0.00 C ATOM 128 CG2 ILE A 9 -4.985 -3.746 -17.746 1.00 0.00 C ATOM 129 CD1 ILE A 9 -5.695 -0.898 -18.610 1.00 0.00 C ATOM 0 H ILE A 9 -2.071 -1.077 -17.030 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.788 -2.658 -15.454 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.402 -2.526 -18.470 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.442 -1.326 -16.546 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.112 -0.445 -17.270 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.600 -3.595 -18.633 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.410 -4.665 -17.855 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.627 -3.822 -16.868 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.207 0.042 -18.406 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.081 -0.791 -19.504 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.432 -1.685 -18.768 1.00 0.00 H new ATOM 141 N ALA A 10 -1.361 -4.306 -16.939 1.00 0.00 N ATOM 142 CA ALA A 10 -0.633 -5.576 -16.924 1.00 0.00 C ATOM 143 C ALA A 10 -0.072 -5.845 -15.532 1.00 0.00 C ATOM 144 O ALA A 10 -0.052 -6.999 -15.045 1.00 0.00 O ATOM 145 CB ALA A 10 0.482 -5.550 -17.944 1.00 0.00 C ATOM 0 H ALA A 10 -0.929 -3.583 -17.514 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.323 -6.379 -17.182 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.016 -6.500 -17.923 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.063 -5.391 -18.937 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.172 -4.740 -17.708 1.00 0.00 H new ATOM 151 N GLU A 11 0.338 -4.763 -14.885 1.00 0.00 N ATOM 152 CA GLU A 11 0.882 -4.782 -13.547 1.00 0.00 C ATOM 153 C GLU A 11 -0.184 -5.269 -12.591 1.00 0.00 C ATOM 154 O GLU A 11 0.025 -6.203 -11.800 1.00 0.00 O ATOM 155 CB GLU A 11 1.277 -3.365 -13.159 1.00 0.00 C ATOM 156 CG GLU A 11 2.214 -3.300 -12.001 1.00 0.00 C ATOM 157 CD GLU A 11 3.470 -4.031 -12.314 1.00 0.00 C ATOM 158 OE1 GLU A 11 3.804 -4.988 -11.597 1.00 0.00 O ATOM 159 OE2 GLU A 11 4.114 -3.698 -13.333 1.00 0.00 O ATOM 0 H GLU A 11 0.298 -3.828 -15.291 1.00 0.00 H new ATOM 0 HA GLU A 11 1.750 -5.440 -13.506 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.740 -2.878 -14.017 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.377 -2.799 -12.919 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.439 -2.260 -11.764 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.743 -3.733 -11.118 1.00 0.00 H new ATOM 166 N PHE A 12 -1.344 -4.661 -12.700 1.00 0.00 N ATOM 167 CA PHE A 12 -2.435 -5.000 -11.857 1.00 0.00 C ATOM 168 C PHE A 12 -3.017 -6.357 -12.183 1.00 0.00 C ATOM 169 O PHE A 12 -3.575 -6.949 -11.333 1.00 0.00 O ATOM 170 CB PHE A 12 -3.502 -3.895 -11.777 1.00 0.00 C ATOM 171 CG PHE A 12 -2.977 -2.621 -11.149 1.00 0.00 C ATOM 172 CD1 PHE A 12 -2.421 -2.638 -9.880 1.00 0.00 C ATOM 173 CD2 PHE A 12 -3.039 -1.417 -11.825 1.00 0.00 C ATOM 174 CE1 PHE A 12 -1.930 -1.484 -9.303 1.00 0.00 C ATOM 175 CE2 PHE A 12 -2.549 -0.257 -11.254 1.00 0.00 C ATOM 176 CZ PHE A 12 -1.994 -0.291 -9.991 1.00 0.00 C ATOM 0 H PHE A 12 -1.543 -3.924 -13.376 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.023 -5.079 -10.851 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.869 -3.677 -12.780 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.352 -4.257 -11.198 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.371 -3.568 -9.334 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.476 -1.382 -12.812 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.496 -1.516 -8.314 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.601 0.676 -11.796 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.611 0.614 -9.543 1.00 0.00 H new ATOM 186 N LYS A 13 -2.849 -6.859 -13.416 1.00 0.00 N ATOM 187 CA LYS A 13 -3.300 -8.236 -13.744 1.00 0.00 C ATOM 188 C LYS A 13 -2.530 -9.250 -12.908 1.00 0.00 C ATOM 189 O LYS A 13 -3.097 -10.235 -12.407 1.00 0.00 O ATOM 190 CB LYS A 13 -3.127 -8.592 -15.234 1.00 0.00 C ATOM 191 CG LYS A 13 -4.026 -7.841 -16.187 1.00 0.00 C ATOM 192 CD LYS A 13 -3.883 -8.342 -17.607 1.00 0.00 C ATOM 193 CE LYS A 13 -4.784 -7.569 -18.560 1.00 0.00 C ATOM 194 NZ LYS A 13 -4.704 -8.073 -19.950 1.00 0.00 N ATOM 0 H LYS A 13 -2.417 -6.354 -14.190 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.365 -8.271 -13.516 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.091 -8.407 -15.517 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.305 -9.660 -15.358 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.063 -7.946 -15.867 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.787 -6.778 -16.151 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.845 -8.246 -17.926 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.132 -9.402 -17.648 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.815 -7.633 -18.212 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.507 -6.515 -18.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.335 -7.514 -20.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.726 -7.988 -20.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.994 -9.071 -19.974 1.00 0.00 H new ATOM 208 N GLU A 14 -1.239 -8.998 -12.765 1.00 0.00 N ATOM 209 CA GLU A 14 -0.345 -9.829 -11.968 1.00 0.00 C ATOM 210 C GLU A 14 -0.834 -9.890 -10.522 1.00 0.00 C ATOM 211 O GLU A 14 -1.123 -10.972 -9.967 1.00 0.00 O ATOM 212 CB GLU A 14 1.049 -9.213 -11.996 1.00 0.00 C ATOM 213 CG GLU A 14 2.096 -9.934 -11.172 1.00 0.00 C ATOM 214 CD GLU A 14 3.367 -9.142 -11.094 1.00 0.00 C ATOM 215 OE1 GLU A 14 3.514 -8.335 -10.155 1.00 0.00 O ATOM 216 OE2 GLU A 14 4.237 -9.280 -12.003 1.00 0.00 O ATOM 0 H GLU A 14 -0.775 -8.202 -13.203 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.325 -10.838 -12.380 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.389 -9.174 -13.031 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.980 -8.184 -11.644 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.713 -10.111 -10.167 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.300 -10.910 -11.612 1.00 0.00 H new ATOM 223 N ALA A 15 -0.972 -8.732 -9.937 1.00 0.00 N ATOM 224 CA ALA A 15 -1.355 -8.618 -8.553 1.00 0.00 C ATOM 225 C ALA A 15 -2.829 -8.966 -8.328 1.00 0.00 C ATOM 226 O ALA A 15 -3.218 -9.380 -7.250 1.00 0.00 O ATOM 227 CB ALA A 15 -1.032 -7.250 -8.063 1.00 0.00 C ATOM 0 H ALA A 15 -0.822 -7.838 -10.405 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.784 -9.346 -7.977 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.321 -7.161 -7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.039 -7.072 -8.160 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.577 -6.514 -8.654 1.00 0.00 H new ATOM 233 N PHE A 16 -3.624 -8.840 -9.355 1.00 0.00 N ATOM 234 CA PHE A 16 -5.029 -9.188 -9.301 1.00 0.00 C ATOM 235 C PHE A 16 -5.163 -10.677 -9.069 1.00 0.00 C ATOM 236 O PHE A 16 -5.911 -11.113 -8.217 1.00 0.00 O ATOM 237 CB PHE A 16 -5.704 -8.782 -10.607 1.00 0.00 C ATOM 238 CG PHE A 16 -7.173 -8.919 -10.625 1.00 0.00 C ATOM 239 CD1 PHE A 16 -7.783 -9.794 -11.493 1.00 0.00 C ATOM 240 CD2 PHE A 16 -7.951 -8.164 -9.778 1.00 0.00 C ATOM 241 CE1 PHE A 16 -9.144 -9.908 -11.517 1.00 0.00 C ATOM 242 CE2 PHE A 16 -9.311 -8.278 -9.796 1.00 0.00 C ATOM 243 CZ PHE A 16 -9.913 -9.148 -10.663 1.00 0.00 C ATOM 0 H PHE A 16 -3.318 -8.491 -10.263 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.515 -8.659 -8.481 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.449 -7.744 -10.821 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.289 -9.385 -11.414 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.182 -10.395 -12.160 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.481 -7.475 -9.092 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.617 -10.593 -12.205 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.912 -7.681 -9.126 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.989 -9.239 -10.678 1.00 0.00 H new ATOM 253 N SER A 17 -4.367 -11.443 -9.790 1.00 0.00 N ATOM 254 CA SER A 17 -4.367 -12.879 -9.646 1.00 0.00 C ATOM 255 C SER A 17 -3.625 -13.277 -8.349 1.00 0.00 C ATOM 256 O SER A 17 -3.721 -14.410 -7.884 1.00 0.00 O ATOM 257 CB SER A 17 -3.726 -13.527 -10.883 1.00 0.00 C ATOM 258 OG SER A 17 -3.844 -14.937 -10.855 1.00 0.00 O ATOM 0 H SER A 17 -3.710 -11.088 -10.485 1.00 0.00 H new ATOM 0 HA SER A 17 -5.393 -13.240 -9.570 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.201 -13.140 -11.784 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.673 -13.251 -10.934 1.00 0.00 H new ATOM 0 HG SER A 17 -3.427 -15.316 -11.657 1.00 0.00 H new ATOM 264 N LEU A 18 -2.848 -12.342 -7.812 1.00 0.00 N ATOM 265 CA LEU A 18 -2.182 -12.524 -6.540 1.00 0.00 C ATOM 266 C LEU A 18 -3.204 -12.460 -5.397 1.00 0.00 C ATOM 267 O LEU A 18 -3.143 -13.248 -4.445 1.00 0.00 O ATOM 268 CB LEU A 18 -1.132 -11.445 -6.361 1.00 0.00 C ATOM 269 CG LEU A 18 -0.290 -11.516 -5.102 1.00 0.00 C ATOM 270 CD1 LEU A 18 0.378 -12.870 -4.982 1.00 0.00 C ATOM 271 CD2 LEU A 18 0.746 -10.453 -5.168 1.00 0.00 C ATOM 0 H LEU A 18 -2.666 -11.439 -8.251 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.700 -13.501 -6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.462 -11.476 -7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.632 -10.477 -6.382 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.929 -11.372 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.977 -12.901 -4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.383 -13.649 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.021 -13.036 -5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.362 -10.489 -4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.374 -10.611 -6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.263 -9.478 -5.238 1.00 0.00 H new ATOM 283 N PHE A 19 -4.133 -11.521 -5.507 1.00 0.00 N ATOM 284 CA PHE A 19 -5.202 -11.341 -4.523 1.00 0.00 C ATOM 285 C PHE A 19 -6.330 -12.319 -4.722 1.00 0.00 C ATOM 286 O PHE A 19 -6.885 -12.839 -3.749 1.00 0.00 O ATOM 287 CB PHE A 19 -5.739 -9.908 -4.532 1.00 0.00 C ATOM 288 CG PHE A 19 -4.871 -8.940 -3.800 1.00 0.00 C ATOM 289 CD1 PHE A 19 -3.634 -8.595 -4.282 1.00 0.00 C ATOM 290 CD2 PHE A 19 -5.303 -8.384 -2.615 1.00 0.00 C ATOM 291 CE1 PHE A 19 -2.834 -7.716 -3.601 1.00 0.00 C ATOM 292 CE2 PHE A 19 -4.510 -7.500 -1.920 1.00 0.00 C ATOM 293 CZ PHE A 19 -3.272 -7.166 -2.412 1.00 0.00 C ATOM 0 H PHE A 19 -4.171 -10.859 -6.282 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.757 -11.539 -3.548 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.848 -9.576 -5.565 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.734 -9.899 -4.087 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.286 -9.022 -5.211 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.276 -8.646 -2.227 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.863 -7.453 -3.993 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.859 -7.071 -0.992 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.643 -6.475 -1.871 1.00 0.00 H new ATOM 303 N ASP A 20 -6.684 -12.562 -5.968 1.00 0.00 N ATOM 304 CA ASP A 20 -7.730 -13.516 -6.288 1.00 0.00 C ATOM 305 C ASP A 20 -7.204 -14.914 -6.044 1.00 0.00 C ATOM 306 O ASP A 20 -6.460 -15.478 -6.854 1.00 0.00 O ATOM 307 CB ASP A 20 -8.210 -13.370 -7.734 1.00 0.00 C ATOM 308 CG ASP A 20 -9.388 -14.271 -8.042 1.00 0.00 C ATOM 309 OD1 ASP A 20 -10.539 -13.867 -7.871 1.00 0.00 O ATOM 310 OD2 ASP A 20 -9.196 -15.384 -8.471 1.00 0.00 O ATOM 0 H ASP A 20 -6.262 -12.111 -6.779 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.590 -13.321 -5.647 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.491 -12.333 -7.918 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.389 -13.604 -8.412 1.00 0.00 H new ATOM 315 N LYS A 21 -7.553 -15.451 -4.910 1.00 0.00 N ATOM 316 CA LYS A 21 -7.043 -16.714 -4.473 1.00 0.00 C ATOM 317 C LYS A 21 -7.790 -17.898 -5.041 1.00 0.00 C ATOM 318 O LYS A 21 -7.488 -19.046 -4.700 1.00 0.00 O ATOM 319 CB LYS A 21 -7.023 -16.794 -2.977 1.00 0.00 C ATOM 320 CG LYS A 21 -6.151 -15.760 -2.291 1.00 0.00 C ATOM 321 CD LYS A 21 -5.974 -16.096 -0.824 1.00 0.00 C ATOM 322 CE LYS A 21 -4.891 -15.246 -0.177 1.00 0.00 C ATOM 323 NZ LYS A 21 -3.558 -15.496 -0.769 1.00 0.00 N ATOM 0 H LYS A 21 -8.207 -15.018 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.025 -16.770 -4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.044 -16.688 -2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.680 -17.787 -2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.177 -15.717 -2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.602 -14.773 -2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.917 -15.944 -0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.719 -17.151 -0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.144 -14.192 -0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.857 -15.455 0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.820 -15.193 -0.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.451 -16.511 -0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.465 -14.959 -1.655 1.00 0.00 H new ATOM 337 N ASP A 22 -8.772 -17.661 -5.875 1.00 0.00 N ATOM 338 CA ASP A 22 -9.498 -18.791 -6.447 1.00 0.00 C ATOM 339 C ASP A 22 -9.092 -18.974 -7.887 1.00 0.00 C ATOM 340 O ASP A 22 -9.371 -20.003 -8.491 1.00 0.00 O ATOM 341 CB ASP A 22 -11.011 -18.592 -6.425 1.00 0.00 C ATOM 342 CG ASP A 22 -11.581 -18.083 -5.130 1.00 0.00 C ATOM 343 OD1 ASP A 22 -11.584 -18.818 -4.122 1.00 0.00 O ATOM 344 OD2 ASP A 22 -12.067 -16.932 -5.121 1.00 0.00 O ATOM 0 H ASP A 22 -9.086 -16.737 -6.171 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.249 -19.660 -5.838 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.279 -17.894 -7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.488 -19.543 -6.662 1.00 0.00 H new ATOM 349 N GLY A 23 -8.430 -17.977 -8.432 1.00 0.00 N ATOM 350 CA GLY A 23 -8.010 -18.010 -9.812 1.00 0.00 C ATOM 351 C GLY A 23 -9.181 -17.801 -10.767 1.00 0.00 C ATOM 352 O GLY A 23 -9.227 -18.382 -11.851 1.00 0.00 O ATOM 0 H GLY A 23 -8.170 -17.126 -7.933 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.260 -17.237 -9.982 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.535 -18.968 -10.024 1.00 0.00 H new ATOM 356 N ASP A 24 -10.127 -16.984 -10.358 1.00 0.00 N ATOM 357 CA ASP A 24 -11.327 -16.713 -11.160 1.00 0.00 C ATOM 358 C ASP A 24 -11.369 -15.271 -11.647 1.00 0.00 C ATOM 359 O ASP A 24 -12.131 -14.941 -12.567 1.00 0.00 O ATOM 360 CB ASP A 24 -12.622 -17.040 -10.398 1.00 0.00 C ATOM 361 CG ASP A 24 -12.789 -16.265 -9.110 1.00 0.00 C ATOM 362 OD1 ASP A 24 -12.951 -15.046 -9.114 1.00 0.00 O ATOM 363 OD2 ASP A 24 -12.764 -16.863 -8.053 1.00 0.00 O ATOM 0 H ASP A 24 -10.098 -16.486 -9.468 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.264 -17.372 -12.026 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -13.474 -16.836 -11.046 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.640 -18.106 -10.174 1.00 0.00 H new ATOM 368 N GLY A 25 -10.576 -14.426 -11.033 1.00 0.00 N ATOM 369 CA GLY A 25 -10.482 -13.041 -11.453 1.00 0.00 C ATOM 370 C GLY A 25 -11.610 -12.144 -10.967 1.00 0.00 C ATOM 371 O GLY A 25 -12.027 -11.252 -11.694 1.00 0.00 O ATOM 0 H GLY A 25 -9.984 -14.670 -10.239 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.535 -12.633 -11.099 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.456 -13.008 -12.542 1.00 0.00 H new ATOM 375 N THR A 26 -12.124 -12.401 -9.795 1.00 0.00 N ATOM 376 CA THR A 26 -13.084 -11.514 -9.139 1.00 0.00 C ATOM 377 C THR A 26 -12.892 -11.644 -7.636 1.00 0.00 C ATOM 378 O THR A 26 -12.928 -12.753 -7.102 1.00 0.00 O ATOM 379 CB THR A 26 -14.557 -11.836 -9.535 1.00 0.00 C ATOM 380 OG1 THR A 26 -14.751 -13.256 -9.673 1.00 0.00 O ATOM 381 CG2 THR A 26 -14.984 -11.117 -10.816 1.00 0.00 C ATOM 0 H THR A 26 -11.896 -13.234 -9.253 1.00 0.00 H new ATOM 0 HA THR A 26 -12.899 -10.490 -9.465 1.00 0.00 H new ATOM 0 HB THR A 26 -15.189 -11.468 -8.727 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.092 -13.731 -9.125 1.00 0.00 H new ATOM 0 HG21 THR A 26 -16.017 -11.373 -11.050 1.00 0.00 H new ATOM 0 HG22 THR A 26 -14.901 -10.040 -10.673 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.339 -11.425 -11.639 1.00 0.00 H new ATOM 389 N ILE A 27 -12.746 -10.539 -6.950 1.00 0.00 N ATOM 390 CA ILE A 27 -12.365 -10.587 -5.553 1.00 0.00 C ATOM 391 C ILE A 27 -13.564 -10.430 -4.627 1.00 0.00 C ATOM 392 O ILE A 27 -14.291 -9.431 -4.681 1.00 0.00 O ATOM 393 CB ILE A 27 -11.271 -9.527 -5.232 1.00 0.00 C ATOM 394 CG1 ILE A 27 -10.081 -9.712 -6.168 1.00 0.00 C ATOM 395 CG2 ILE A 27 -10.791 -9.677 -3.814 1.00 0.00 C ATOM 396 CD1 ILE A 27 -8.985 -8.680 -6.010 1.00 0.00 C ATOM 0 H ILE A 27 -12.883 -9.601 -7.327 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.944 -11.576 -5.371 1.00 0.00 H new ATOM 0 HB ILE A 27 -11.706 -8.537 -5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.656 -10.702 -6.002 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.439 -9.688 -7.197 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.027 -8.928 -3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.628 -9.539 -3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.370 -10.673 -3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -8.182 -8.892 -6.716 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.389 -7.687 -6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.594 -8.717 -4.993 1.00 0.00 H new ATOM 408 N THR A 28 -13.774 -11.435 -3.815 1.00 0.00 N ATOM 409 CA THR A 28 -14.841 -11.466 -2.843 1.00 0.00 C ATOM 410 C THR A 28 -14.357 -10.954 -1.478 1.00 0.00 C ATOM 411 O THR A 28 -13.154 -10.699 -1.286 1.00 0.00 O ATOM 412 CB THR A 28 -15.337 -12.914 -2.681 1.00 0.00 C ATOM 413 OG1 THR A 28 -14.213 -13.779 -2.407 1.00 0.00 O ATOM 414 CG2 THR A 28 -16.048 -13.387 -3.927 1.00 0.00 C ATOM 0 H THR A 28 -13.195 -12.275 -3.810 1.00 0.00 H new ATOM 0 HA THR A 28 -15.646 -10.821 -3.196 1.00 0.00 H new ATOM 0 HB THR A 28 -16.043 -12.946 -1.851 1.00 0.00 H new ATOM 0 HG1 THR A 28 -13.750 -13.988 -3.245 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.388 -14.413 -3.785 1.00 0.00 H new ATOM 0 HG22 THR A 28 -16.906 -12.744 -4.122 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.364 -13.346 -4.774 1.00 0.00 H new ATOM 422 N THR A 29 -15.279 -10.840 -0.518 1.00 0.00 N ATOM 423 CA THR A 29 -14.924 -10.434 0.836 1.00 0.00 C ATOM 424 C THR A 29 -14.081 -11.528 1.500 1.00 0.00 C ATOM 425 O THR A 29 -13.292 -11.269 2.413 1.00 0.00 O ATOM 426 CB THR A 29 -16.185 -10.166 1.680 1.00 0.00 C ATOM 427 OG1 THR A 29 -17.040 -11.321 1.666 1.00 0.00 O ATOM 428 CG2 THR A 29 -16.952 -8.976 1.150 1.00 0.00 C ATOM 0 H THR A 29 -16.273 -11.023 -0.657 1.00 0.00 H new ATOM 0 HA THR A 29 -14.347 -9.511 0.777 1.00 0.00 H new ATOM 0 HB THR A 29 -15.866 -9.952 2.700 1.00 0.00 H new ATOM 0 HG1 THR A 29 -17.111 -11.686 2.573 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.837 -8.810 1.765 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.317 -8.091 1.182 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.256 -9.168 0.121 1.00 0.00 H new ATOM 436 N LYS A 30 -14.278 -12.750 1.013 1.00 0.00 N ATOM 437 CA LYS A 30 -13.535 -13.933 1.422 1.00 0.00 C ATOM 438 C LYS A 30 -12.057 -13.697 1.178 1.00 0.00 C ATOM 439 O LYS A 30 -11.240 -13.726 2.098 1.00 0.00 O ATOM 440 CB LYS A 30 -13.991 -15.112 0.552 1.00 0.00 C ATOM 441 CG LYS A 30 -15.451 -15.489 0.716 1.00 0.00 C ATOM 442 CD LYS A 30 -16.004 -16.359 -0.437 1.00 0.00 C ATOM 443 CE LYS A 30 -15.233 -17.668 -0.692 1.00 0.00 C ATOM 444 NZ LYS A 30 -13.981 -17.482 -1.482 1.00 0.00 N ATOM 0 H LYS A 30 -14.981 -12.948 0.301 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.710 -14.142 2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.808 -14.867 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.376 -15.980 0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.574 -16.027 1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.046 -14.579 0.789 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.044 -16.604 -0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.999 -15.768 -1.353 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.983 -18.125 0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.884 -18.366 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.844 -18.297 -2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.054 -16.614 -2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.170 -17.405 -0.835 1.00 0.00 H new ATOM 458 N GLU A 31 -11.752 -13.396 -0.065 1.00 0.00 N ATOM 459 CA GLU A 31 -10.401 -13.183 -0.521 1.00 0.00 C ATOM 460 C GLU A 31 -9.788 -11.967 0.126 1.00 0.00 C ATOM 461 O GLU A 31 -8.628 -12.010 0.530 1.00 0.00 O ATOM 462 CB GLU A 31 -10.402 -13.082 -2.023 1.00 0.00 C ATOM 463 CG GLU A 31 -10.894 -14.356 -2.654 1.00 0.00 C ATOM 464 CD GLU A 31 -11.239 -14.203 -4.083 1.00 0.00 C ATOM 465 OE1 GLU A 31 -12.387 -13.795 -4.391 1.00 0.00 O ATOM 466 OE2 GLU A 31 -10.434 -14.542 -4.956 1.00 0.00 O ATOM 0 H GLU A 31 -12.452 -13.291 -0.800 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.781 -14.030 -0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.035 -12.251 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.394 -12.864 -2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.127 -15.124 -2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.771 -14.708 -2.111 1.00 0.00 H new ATOM 473 N LEU A 32 -10.577 -10.896 0.261 1.00 0.00 N ATOM 474 CA LEU A 32 -10.114 -9.700 0.951 1.00 0.00 C ATOM 475 C LEU A 32 -9.692 -10.033 2.367 1.00 0.00 C ATOM 476 O LEU A 32 -8.575 -9.762 2.757 1.00 0.00 O ATOM 477 CB LEU A 32 -11.172 -8.593 0.974 1.00 0.00 C ATOM 478 CG LEU A 32 -11.517 -7.932 -0.361 1.00 0.00 C ATOM 479 CD1 LEU A 32 -12.576 -6.871 -0.148 1.00 0.00 C ATOM 480 CD2 LEU A 32 -10.275 -7.308 -0.995 1.00 0.00 C ATOM 0 H LEU A 32 -11.530 -10.838 -0.097 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.256 -9.326 0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.088 -9.009 1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.834 -7.816 1.659 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.900 -8.696 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.819 -6.403 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.472 -7.330 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.200 -6.115 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.545 -6.844 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.865 -6.552 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.528 -8.082 -1.170 1.00 0.00 H new ATOM 492 N GLY A 33 -10.565 -10.684 3.105 1.00 0.00 N ATOM 493 CA GLY A 33 -10.254 -11.022 4.473 1.00 0.00 C ATOM 494 C GLY A 33 -9.117 -12.016 4.588 1.00 0.00 C ATOM 495 O GLY A 33 -8.368 -11.972 5.549 1.00 0.00 O ATOM 0 H GLY A 33 -11.485 -10.986 2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.993 -10.114 5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.142 -11.436 4.951 1.00 0.00 H new ATOM 499 N THR A 34 -8.974 -12.893 3.612 1.00 0.00 N ATOM 500 CA THR A 34 -7.896 -13.855 3.621 1.00 0.00 C ATOM 501 C THR A 34 -6.540 -13.179 3.314 1.00 0.00 C ATOM 502 O THR A 34 -5.540 -13.446 3.990 1.00 0.00 O ATOM 503 CB THR A 34 -8.174 -15.026 2.656 1.00 0.00 C ATOM 504 OG1 THR A 34 -9.425 -15.644 3.017 1.00 0.00 O ATOM 505 CG2 THR A 34 -7.076 -16.076 2.739 1.00 0.00 C ATOM 0 H THR A 34 -9.593 -12.956 2.804 1.00 0.00 H new ATOM 0 HA THR A 34 -7.836 -14.272 4.627 1.00 0.00 H new ATOM 0 HB THR A 34 -8.211 -14.633 1.640 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.167 -15.063 2.747 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.298 -16.890 2.048 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.120 -15.625 2.473 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.022 -16.467 3.755 1.00 0.00 H new ATOM 513 N VAL A 35 -6.505 -12.277 2.325 1.00 0.00 N ATOM 514 CA VAL A 35 -5.265 -11.560 2.044 1.00 0.00 C ATOM 515 C VAL A 35 -4.940 -10.633 3.210 1.00 0.00 C ATOM 516 O VAL A 35 -3.802 -10.508 3.599 1.00 0.00 O ATOM 517 CB VAL A 35 -5.250 -10.772 0.684 1.00 0.00 C ATOM 518 CG1 VAL A 35 -5.418 -11.703 -0.511 1.00 0.00 C ATOM 519 CG2 VAL A 35 -6.288 -9.663 0.647 1.00 0.00 C ATOM 0 H VAL A 35 -7.295 -12.035 1.727 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.493 -12.321 1.931 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.268 -10.304 0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.402 -11.120 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.603 -12.427 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.369 -12.229 -0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.237 -9.149 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.282 -10.091 0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.090 -8.953 1.450 1.00 0.00 H new ATOM 529 N MET A 36 -5.975 -10.057 3.810 1.00 0.00 N ATOM 530 CA MET A 36 -5.817 -9.195 4.968 1.00 0.00 C ATOM 531 C MET A 36 -5.342 -9.979 6.173 1.00 0.00 C ATOM 532 O MET A 36 -4.543 -9.483 6.960 1.00 0.00 O ATOM 533 CB MET A 36 -7.097 -8.410 5.253 1.00 0.00 C ATOM 534 CG MET A 36 -7.374 -7.365 4.204 1.00 0.00 C ATOM 535 SD MET A 36 -8.926 -6.529 4.451 1.00 0.00 S ATOM 536 CE MET A 36 -8.999 -5.597 2.944 1.00 0.00 C ATOM 0 H MET A 36 -6.942 -10.175 3.507 1.00 0.00 H new ATOM 0 HA MET A 36 -5.042 -8.463 4.741 1.00 0.00 H new ATOM 0 HB2 MET A 36 -7.939 -9.100 5.306 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.016 -7.930 6.228 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.568 -6.632 4.207 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.373 -7.835 3.221 1.00 0.00 H new ATOM 0 HE1 MET A 36 -9.816 -4.878 3.000 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.058 -5.067 2.798 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.168 -6.273 2.106 1.00 0.00 H new ATOM 546 N ARG A 37 -5.796 -11.211 6.291 1.00 0.00 N ATOM 547 CA ARG A 37 -5.343 -12.123 7.334 1.00 0.00 C ATOM 548 C ARG A 37 -3.837 -12.348 7.170 1.00 0.00 C ATOM 549 O ARG A 37 -3.087 -12.361 8.141 1.00 0.00 O ATOM 550 CB ARG A 37 -6.117 -13.451 7.229 1.00 0.00 C ATOM 551 CG ARG A 37 -5.772 -14.492 8.275 1.00 0.00 C ATOM 552 CD ARG A 37 -6.647 -15.724 8.121 1.00 0.00 C ATOM 553 NE ARG A 37 -6.325 -16.771 9.097 1.00 0.00 N ATOM 554 CZ ARG A 37 -6.809 -18.024 9.064 1.00 0.00 C ATOM 555 NH1 ARG A 37 -7.660 -18.393 8.101 1.00 0.00 N ATOM 556 NH2 ARG A 37 -6.442 -18.907 9.985 1.00 0.00 N ATOM 0 H ARG A 37 -6.493 -11.614 5.665 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.531 -11.699 8.320 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.184 -13.236 7.294 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.938 -13.879 6.243 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.723 -14.772 8.183 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.903 -14.070 9.271 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.693 -15.438 8.232 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.531 -16.124 7.114 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.687 -16.530 9.856 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.944 -17.722 7.387 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.025 -19.345 8.080 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.790 -18.635 10.721 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.812 -19.857 9.956 1.00 0.00 H new ATOM 570 N SER A 38 -3.412 -12.443 5.924 1.00 0.00 N ATOM 571 CA SER A 38 -2.019 -12.596 5.583 1.00 0.00 C ATOM 572 C SER A 38 -1.265 -11.262 5.838 1.00 0.00 C ATOM 573 O SER A 38 -0.068 -11.257 6.153 1.00 0.00 O ATOM 574 CB SER A 38 -1.905 -13.043 4.107 1.00 0.00 C ATOM 575 OG SER A 38 -0.563 -13.315 3.704 1.00 0.00 O ATOM 0 H SER A 38 -4.034 -12.415 5.116 1.00 0.00 H new ATOM 0 HA SER A 38 -1.559 -13.360 6.209 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.511 -13.937 3.957 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.320 -12.265 3.466 1.00 0.00 H new ATOM 0 HG SER A 38 -0.554 -13.594 2.765 1.00 0.00 H new ATOM 581 N LEU A 39 -1.988 -10.140 5.731 1.00 0.00 N ATOM 582 CA LEU A 39 -1.424 -8.814 5.976 1.00 0.00 C ATOM 583 C LEU A 39 -1.328 -8.542 7.477 1.00 0.00 C ATOM 584 O LEU A 39 -0.579 -7.669 7.914 1.00 0.00 O ATOM 585 CB LEU A 39 -2.264 -7.702 5.308 1.00 0.00 C ATOM 586 CG LEU A 39 -2.476 -7.799 3.789 1.00 0.00 C ATOM 587 CD1 LEU A 39 -3.315 -6.633 3.292 1.00 0.00 C ATOM 588 CD2 LEU A 39 -1.154 -7.845 3.047 1.00 0.00 C ATOM 0 H LEU A 39 -2.975 -10.129 5.473 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.427 -8.803 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.244 -7.686 5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.789 -6.745 5.522 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.008 -8.729 3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.455 -6.719 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.286 -6.647 3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.806 -5.696 3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.340 -7.914 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.586 -6.939 3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.584 -8.715 3.372 1.00 0.00 H new ATOM 600 N GLY A 40 -2.094 -9.276 8.253 1.00 0.00 N ATOM 601 CA GLY A 40 -2.075 -9.124 9.689 1.00 0.00 C ATOM 602 C GLY A 40 -3.153 -8.178 10.181 1.00 0.00 C ATOM 603 O GLY A 40 -2.955 -7.447 11.161 1.00 0.00 O ATOM 0 H GLY A 40 -2.740 -9.987 7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.209 -10.099 10.157 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.099 -8.752 10.000 1.00 0.00 H new ATOM 607 N GLN A 41 -4.273 -8.156 9.494 1.00 0.00 N ATOM 608 CA GLN A 41 -5.391 -7.309 9.859 1.00 0.00 C ATOM 609 C GLN A 41 -6.676 -8.042 9.533 1.00 0.00 C ATOM 610 O GLN A 41 -6.745 -8.734 8.541 1.00 0.00 O ATOM 611 CB GLN A 41 -5.309 -5.984 9.092 1.00 0.00 C ATOM 612 CG GLN A 41 -6.393 -4.979 9.432 1.00 0.00 C ATOM 613 CD GLN A 41 -6.159 -3.660 8.749 1.00 0.00 C ATOM 614 OE1 GLN A 41 -6.590 -3.449 7.640 1.00 0.00 O ATOM 615 NE2 GLN A 41 -5.506 -2.758 9.426 1.00 0.00 N ATOM 0 H GLN A 41 -4.437 -8.726 8.664 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.365 -7.084 10.925 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.338 -5.528 9.286 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.353 -6.196 8.024 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.364 -5.376 9.135 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.426 -4.830 10.511 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.158 -2.974 10.360 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.343 -1.836 9.022 1.00 0.00 H new ATOM 624 N ASN A 42 -7.660 -7.957 10.378 1.00 0.00 N ATOM 625 CA ASN A 42 -8.926 -8.661 10.131 1.00 0.00 C ATOM 626 C ASN A 42 -10.132 -7.728 10.193 1.00 0.00 C ATOM 627 O ASN A 42 -10.784 -7.637 11.235 1.00 0.00 O ATOM 628 CB ASN A 42 -9.158 -9.810 11.137 1.00 0.00 C ATOM 629 CG ASN A 42 -8.337 -11.094 10.958 1.00 0.00 C ATOM 630 OD1 ASN A 42 -7.196 -11.032 10.323 1.00 0.00 O flip ATOM 631 ND2 ASN A 42 -8.779 -12.165 11.381 1.00 0.00 N flip ATOM 0 H ASN A 42 -7.632 -7.417 11.243 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.834 -9.067 9.124 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.962 -9.424 12.137 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.214 -10.079 11.100 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.672 -12.189 11.874 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.252 -13.026 11.238 1.00 0.00 H new ATOM 638 N PRO A 43 -10.417 -6.965 9.127 1.00 0.00 N ATOM 639 CA PRO A 43 -11.636 -6.162 9.058 1.00 0.00 C ATOM 640 C PRO A 43 -12.846 -7.085 8.915 1.00 0.00 C ATOM 641 O PRO A 43 -12.736 -8.181 8.341 1.00 0.00 O ATOM 642 CB PRO A 43 -11.446 -5.306 7.796 1.00 0.00 C ATOM 643 CG PRO A 43 -9.992 -5.409 7.489 1.00 0.00 C ATOM 644 CD PRO A 43 -9.585 -6.780 7.938 1.00 0.00 C ATOM 0 HA PRO A 43 -11.806 -5.552 9.945 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.053 -5.677 6.970 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.742 -4.272 7.970 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.805 -5.273 6.424 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.425 -4.640 8.013 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -9.785 -7.535 7.178 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.522 -6.835 8.171 1.00 0.00 H new ATOM 652 N THR A 44 -13.968 -6.674 9.429 1.00 0.00 N ATOM 653 CA THR A 44 -15.127 -7.516 9.442 1.00 0.00 C ATOM 654 C THR A 44 -15.868 -7.568 8.081 1.00 0.00 C ATOM 655 O THR A 44 -15.665 -6.706 7.213 1.00 0.00 O ATOM 656 CB THR A 44 -16.043 -7.138 10.620 1.00 0.00 C ATOM 657 OG1 THR A 44 -16.239 -5.713 10.645 1.00 0.00 O ATOM 658 CG2 THR A 44 -15.403 -7.563 11.929 1.00 0.00 C ATOM 0 H THR A 44 -14.105 -5.754 9.847 1.00 0.00 H new ATOM 0 HA THR A 44 -14.789 -8.540 9.598 1.00 0.00 H new ATOM 0 HB THR A 44 -17.001 -7.644 10.495 1.00 0.00 H new ATOM 0 HG1 THR A 44 -16.824 -5.476 11.395 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.057 -7.292 12.758 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.249 -8.642 11.925 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.443 -7.060 12.045 1.00 0.00 H new ATOM 666 N GLU A 45 -16.712 -8.590 7.932 1.00 0.00 N ATOM 667 CA GLU A 45 -17.445 -8.943 6.698 1.00 0.00 C ATOM 668 C GLU A 45 -18.084 -7.721 5.981 1.00 0.00 C ATOM 669 O GLU A 45 -17.791 -7.454 4.804 1.00 0.00 O ATOM 670 CB GLU A 45 -18.538 -9.958 7.060 1.00 0.00 C ATOM 671 CG GLU A 45 -19.202 -10.647 5.878 1.00 0.00 C ATOM 672 CD GLU A 45 -18.287 -11.624 5.184 1.00 0.00 C ATOM 673 OE1 GLU A 45 -18.241 -12.812 5.594 1.00 0.00 O ATOM 674 OE2 GLU A 45 -17.611 -11.249 4.218 1.00 0.00 O ATOM 0 H GLU A 45 -16.918 -9.229 8.700 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.723 -9.362 5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.103 -10.720 7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.307 -9.448 7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -20.093 -11.172 6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.532 -9.894 5.163 1.00 0.00 H new ATOM 681 N ALA A 46 -18.921 -6.975 6.694 1.00 0.00 N ATOM 682 CA ALA A 46 -19.648 -5.852 6.095 1.00 0.00 C ATOM 683 C ALA A 46 -18.719 -4.719 5.712 1.00 0.00 C ATOM 684 O ALA A 46 -18.921 -4.069 4.689 1.00 0.00 O ATOM 685 CB ALA A 46 -20.754 -5.353 7.008 1.00 0.00 C ATOM 0 H ALA A 46 -19.115 -7.124 7.684 1.00 0.00 H new ATOM 0 HA ALA A 46 -20.108 -6.227 5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -21.271 -4.520 6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -21.462 -6.160 7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -20.324 -5.020 7.952 1.00 0.00 H new ATOM 691 N GLU A 47 -17.672 -4.520 6.508 1.00 0.00 N ATOM 692 CA GLU A 47 -16.679 -3.473 6.245 1.00 0.00 C ATOM 693 C GLU A 47 -16.029 -3.739 4.904 1.00 0.00 C ATOM 694 O GLU A 47 -15.898 -2.846 4.064 1.00 0.00 O ATOM 695 CB GLU A 47 -15.598 -3.473 7.326 1.00 0.00 C ATOM 696 CG GLU A 47 -16.111 -3.254 8.734 1.00 0.00 C ATOM 697 CD GLU A 47 -16.708 -1.895 8.945 1.00 0.00 C ATOM 698 OE1 GLU A 47 -15.952 -0.947 9.270 1.00 0.00 O ATOM 699 OE2 GLU A 47 -17.943 -1.750 8.834 1.00 0.00 O ATOM 0 H GLU A 47 -17.486 -5.071 7.346 1.00 0.00 H new ATOM 0 HA GLU A 47 -17.179 -2.505 6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.068 -4.425 7.291 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.871 -2.695 7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.861 -4.012 8.962 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.291 -3.396 9.438 1.00 0.00 H new ATOM 706 N LEU A 48 -15.670 -4.997 4.705 1.00 0.00 N ATOM 707 CA LEU A 48 -15.053 -5.447 3.483 1.00 0.00 C ATOM 708 C LEU A 48 -15.968 -5.219 2.297 1.00 0.00 C ATOM 709 O LEU A 48 -15.530 -4.739 1.254 1.00 0.00 O ATOM 710 CB LEU A 48 -14.681 -6.928 3.585 1.00 0.00 C ATOM 711 CG LEU A 48 -13.669 -7.290 4.669 1.00 0.00 C ATOM 712 CD1 LEU A 48 -13.451 -8.786 4.717 1.00 0.00 C ATOM 713 CD2 LEU A 48 -12.357 -6.572 4.426 1.00 0.00 C ATOM 0 H LEU A 48 -15.803 -5.735 5.397 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.144 -4.865 3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.592 -7.500 3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -14.283 -7.250 2.622 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.067 -6.971 5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.726 -9.023 5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.395 -9.284 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -13.074 -9.130 3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.645 -6.840 5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.957 -6.864 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.523 -5.495 4.441 1.00 0.00 H new ATOM 725 N GLN A 49 -17.246 -5.525 2.460 1.00 0.00 N ATOM 726 CA GLN A 49 -18.170 -5.369 1.366 1.00 0.00 C ATOM 727 C GLN A 49 -18.499 -3.910 1.087 1.00 0.00 C ATOM 728 O GLN A 49 -18.729 -3.552 -0.051 1.00 0.00 O ATOM 729 CB GLN A 49 -19.427 -6.225 1.508 1.00 0.00 C ATOM 730 CG GLN A 49 -20.352 -6.108 0.305 1.00 0.00 C ATOM 731 CD GLN A 49 -21.430 -7.142 0.276 1.00 0.00 C ATOM 732 OE1 GLN A 49 -22.516 -6.948 0.819 1.00 0.00 O ATOM 733 NE2 GLN A 49 -21.153 -8.237 -0.380 1.00 0.00 N ATOM 0 H GLN A 49 -17.654 -5.876 3.326 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.648 -5.750 0.488 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -19.139 -7.268 1.641 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -19.966 -5.926 2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -20.809 -5.119 0.304 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -19.760 -6.187 -0.607 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -20.238 -8.353 -0.814 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -21.852 -8.976 -0.458 1.00 0.00 H new ATOM 742 N ASP A 50 -18.506 -3.065 2.102 1.00 0.00 N ATOM 743 CA ASP A 50 -18.723 -1.633 1.856 1.00 0.00 C ATOM 744 C ASP A 50 -17.551 -1.068 1.100 1.00 0.00 C ATOM 745 O ASP A 50 -17.720 -0.291 0.167 1.00 0.00 O ATOM 746 CB ASP A 50 -18.958 -0.836 3.132 1.00 0.00 C ATOM 747 CG ASP A 50 -19.106 0.655 2.856 1.00 0.00 C ATOM 748 OD1 ASP A 50 -18.206 1.437 3.247 1.00 0.00 O ATOM 749 OD2 ASP A 50 -20.121 1.067 2.233 1.00 0.00 O ATOM 0 H ASP A 50 -18.369 -3.324 3.079 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.633 -1.544 1.263 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -19.856 -1.203 3.628 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -18.126 -0.997 3.818 1.00 0.00 H new ATOM 754 N MET A 51 -16.361 -1.513 1.480 1.00 0.00 N ATOM 755 CA MET A 51 -15.126 -1.141 0.800 1.00 0.00 C ATOM 756 C MET A 51 -15.204 -1.577 -0.676 1.00 0.00 C ATOM 757 O MET A 51 -14.741 -0.877 -1.575 1.00 0.00 O ATOM 758 CB MET A 51 -13.937 -1.807 1.499 1.00 0.00 C ATOM 759 CG MET A 51 -12.542 -1.481 0.954 1.00 0.00 C ATOM 760 SD MET A 51 -11.912 0.193 1.338 1.00 0.00 S ATOM 761 CE MET A 51 -12.816 1.274 0.222 1.00 0.00 C ATOM 0 H MET A 51 -16.224 -2.143 2.270 1.00 0.00 H new ATOM 0 HA MET A 51 -14.991 -0.060 0.839 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.963 -1.529 2.553 1.00 0.00 H new ATOM 0 HB3 MET A 51 -14.076 -2.887 1.451 1.00 0.00 H new ATOM 0 HG2 MET A 51 -11.838 -2.214 1.348 1.00 0.00 H new ATOM 0 HG3 MET A 51 -12.557 -1.604 -0.129 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.170 2.093 -0.094 1.00 0.00 H new ATOM 0 HE2 MET A 51 -13.138 0.708 -0.652 1.00 0.00 H new ATOM 0 HE3 MET A 51 -13.689 1.678 0.735 1.00 0.00 H new ATOM 771 N ILE A 52 -15.816 -2.729 -0.897 1.00 0.00 N ATOM 772 CA ILE A 52 -16.083 -3.230 -2.233 1.00 0.00 C ATOM 773 C ILE A 52 -17.090 -2.340 -2.953 1.00 0.00 C ATOM 774 O ILE A 52 -16.836 -1.883 -4.050 1.00 0.00 O ATOM 775 CB ILE A 52 -16.637 -4.691 -2.195 1.00 0.00 C ATOM 776 CG1 ILE A 52 -15.546 -5.668 -1.749 1.00 0.00 C ATOM 777 CG2 ILE A 52 -17.259 -5.109 -3.532 1.00 0.00 C ATOM 778 CD1 ILE A 52 -15.974 -7.122 -1.721 1.00 0.00 C ATOM 0 H ILE A 52 -16.142 -3.344 -0.152 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.135 -3.223 -2.772 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.441 -4.720 -1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.691 -5.567 -2.418 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.207 -5.383 -0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -17.630 -6.131 -3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.085 -4.440 -3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -16.505 -5.053 -4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -15.139 -7.741 -1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -16.808 -7.243 -1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.284 -7.429 -2.720 1.00 0.00 H new ATOM 790 N ASN A 53 -18.199 -2.073 -2.299 1.00 0.00 N ATOM 791 CA ASN A 53 -19.338 -1.355 -2.876 1.00 0.00 C ATOM 792 C ASN A 53 -18.970 0.059 -3.349 1.00 0.00 C ATOM 793 O ASN A 53 -19.614 0.606 -4.236 1.00 0.00 O ATOM 794 CB ASN A 53 -20.522 -1.347 -1.887 1.00 0.00 C ATOM 795 CG ASN A 53 -21.819 -0.810 -2.479 1.00 0.00 C ATOM 796 OD1 ASN A 53 -22.582 -1.557 -3.103 1.00 0.00 O ATOM 797 ND2 ASN A 53 -22.122 0.435 -2.228 1.00 0.00 N ATOM 0 H ASN A 53 -18.347 -2.351 -1.329 1.00 0.00 H new ATOM 0 HA ASN A 53 -19.646 -1.893 -3.773 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -20.691 -2.363 -1.530 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -20.254 -0.744 -1.019 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -23.011 0.818 -2.549 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -21.470 1.024 -1.711 1.00 0.00 H new ATOM 804 N GLU A 54 -17.902 0.615 -2.783 1.00 0.00 N ATOM 805 CA GLU A 54 -17.369 1.853 -3.147 1.00 0.00 C ATOM 806 C GLU A 54 -16.888 1.843 -4.612 1.00 0.00 C ATOM 807 O GLU A 54 -17.032 2.829 -5.332 1.00 0.00 O ATOM 808 CB GLU A 54 -16.206 2.071 -2.231 1.00 0.00 C ATOM 809 CG GLU A 54 -16.552 2.404 -0.795 1.00 0.00 C ATOM 810 CD GLU A 54 -17.231 3.735 -0.650 1.00 0.00 C ATOM 811 OE1 GLU A 54 -18.473 3.792 -0.678 1.00 0.00 O ATOM 812 OE2 GLU A 54 -16.526 4.751 -0.493 1.00 0.00 O ATOM 0 H GLU A 54 -17.387 0.165 -2.026 1.00 0.00 H new ATOM 0 HA GLU A 54 -18.116 2.642 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -15.589 1.172 -2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -15.596 2.879 -2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -17.201 1.626 -0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -15.641 2.400 -0.197 1.00 0.00 H new ATOM 819 N VAL A 55 -16.334 0.725 -5.043 1.00 0.00 N ATOM 820 CA VAL A 55 -15.828 0.593 -6.411 1.00 0.00 C ATOM 821 C VAL A 55 -16.705 -0.329 -7.239 1.00 0.00 C ATOM 822 O VAL A 55 -16.587 -0.378 -8.470 1.00 0.00 O ATOM 823 CB VAL A 55 -14.372 0.055 -6.459 1.00 0.00 C ATOM 824 CG1 VAL A 55 -13.426 1.004 -5.803 1.00 0.00 C ATOM 825 CG2 VAL A 55 -14.251 -1.309 -5.809 1.00 0.00 C ATOM 0 H VAL A 55 -16.219 -0.111 -4.470 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.845 1.600 -6.828 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.110 -0.042 -7.513 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.414 0.601 -5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.459 1.965 -6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -13.712 1.141 -4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -13.217 -1.648 -5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.556 -1.243 -4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -14.894 -2.019 -6.330 1.00 0.00 H new ATOM 835 N ASP A 56 -17.553 -1.066 -6.569 1.00 0.00 N ATOM 836 CA ASP A 56 -18.409 -2.023 -7.218 1.00 0.00 C ATOM 837 C ASP A 56 -19.488 -1.294 -7.971 1.00 0.00 C ATOM 838 O ASP A 56 -20.349 -0.641 -7.375 1.00 0.00 O ATOM 839 CB ASP A 56 -19.033 -2.983 -6.207 1.00 0.00 C ATOM 840 CG ASP A 56 -19.679 -4.182 -6.857 1.00 0.00 C ATOM 841 OD1 ASP A 56 -19.969 -4.159 -8.074 1.00 0.00 O ATOM 842 OD2 ASP A 56 -19.889 -5.178 -6.197 1.00 0.00 O ATOM 0 H ASP A 56 -17.669 -1.019 -5.557 1.00 0.00 H new ATOM 0 HA ASP A 56 -17.809 -2.613 -7.911 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.264 -3.323 -5.513 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.779 -2.449 -5.619 1.00 0.00 H new ATOM 847 N ALA A 57 -19.443 -1.415 -9.262 1.00 0.00 N ATOM 848 CA ALA A 57 -20.356 -0.742 -10.131 1.00 0.00 C ATOM 849 C ALA A 57 -21.620 -1.555 -10.324 1.00 0.00 C ATOM 850 O ALA A 57 -22.655 -1.019 -10.709 1.00 0.00 O ATOM 851 CB ALA A 57 -19.691 -0.483 -11.463 1.00 0.00 C ATOM 0 H ALA A 57 -18.759 -1.994 -9.749 1.00 0.00 H new ATOM 0 HA ALA A 57 -20.634 0.208 -9.676 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -20.389 0.030 -12.124 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -18.808 0.139 -11.314 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.396 -1.431 -11.913 1.00 0.00 H new ATOM 857 N ASP A 58 -21.556 -2.846 -10.029 1.00 0.00 N ATOM 858 CA ASP A 58 -22.727 -3.708 -10.237 1.00 0.00 C ATOM 859 C ASP A 58 -23.447 -3.841 -8.924 1.00 0.00 C ATOM 860 O ASP A 58 -24.594 -4.295 -8.865 1.00 0.00 O ATOM 861 CB ASP A 58 -22.322 -5.146 -10.632 1.00 0.00 C ATOM 862 CG ASP A 58 -21.164 -5.262 -11.582 1.00 0.00 C ATOM 863 OD1 ASP A 58 -20.058 -5.621 -11.118 1.00 0.00 O ATOM 864 OD2 ASP A 58 -21.314 -5.014 -12.794 1.00 0.00 O ATOM 0 H ASP A 58 -20.732 -3.317 -9.654 1.00 0.00 H new ATOM 0 HA ASP A 58 -23.330 -3.259 -11.026 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -22.079 -5.697 -9.724 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.186 -5.636 -11.081 1.00 0.00 H new ATOM 869 N GLY A 59 -22.773 -3.407 -7.867 1.00 0.00 N ATOM 870 CA GLY A 59 -23.276 -3.564 -6.520 1.00 0.00 C ATOM 871 C GLY A 59 -23.507 -5.028 -6.204 1.00 0.00 C ATOM 872 O GLY A 59 -24.460 -5.375 -5.520 1.00 0.00 O ATOM 0 H GLY A 59 -21.868 -2.940 -7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.566 -3.141 -5.809 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -24.208 -3.011 -6.407 1.00 0.00 H new ATOM 876 N ASN A 60 -22.629 -5.885 -6.705 1.00 0.00 N ATOM 877 CA ASN A 60 -22.832 -7.319 -6.584 1.00 0.00 C ATOM 878 C ASN A 60 -21.996 -7.939 -5.486 1.00 0.00 C ATOM 879 O ASN A 60 -22.138 -9.117 -5.180 1.00 0.00 O ATOM 880 CB ASN A 60 -22.678 -8.067 -7.935 1.00 0.00 C ATOM 881 CG ASN A 60 -21.284 -8.033 -8.568 1.00 0.00 C ATOM 882 OD1 ASN A 60 -20.490 -7.098 -8.376 1.00 0.00 O ATOM 883 ND2 ASN A 60 -21.000 -9.015 -9.371 1.00 0.00 N ATOM 0 H ASN A 60 -21.776 -5.614 -7.195 1.00 0.00 H new ATOM 0 HA ASN A 60 -23.873 -7.444 -6.284 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -22.961 -9.109 -7.785 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -23.388 -7.643 -8.645 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -20.106 -9.030 -9.862 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.671 -9.770 -9.510 1.00 0.00 H new ATOM 890 N GLY A 61 -21.113 -7.159 -4.916 1.00 0.00 N ATOM 891 CA GLY A 61 -20.369 -7.609 -3.773 1.00 0.00 C ATOM 892 C GLY A 61 -19.008 -8.133 -4.130 1.00 0.00 C ATOM 893 O GLY A 61 -18.389 -8.844 -3.336 1.00 0.00 O ATOM 0 H GLY A 61 -20.894 -6.212 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.262 -6.784 -3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.932 -8.392 -3.265 1.00 0.00 H new ATOM 897 N THR A 62 -18.532 -7.787 -5.299 1.00 0.00 N ATOM 898 CA THR A 62 -17.225 -8.205 -5.754 1.00 0.00 C ATOM 899 C THR A 62 -16.570 -7.107 -6.555 1.00 0.00 C ATOM 900 O THR A 62 -17.255 -6.377 -7.309 1.00 0.00 O ATOM 901 CB THR A 62 -17.293 -9.486 -6.623 1.00 0.00 C ATOM 902 OG1 THR A 62 -18.387 -9.404 -7.548 1.00 0.00 O ATOM 903 CG2 THR A 62 -17.412 -10.739 -5.781 1.00 0.00 C ATOM 0 H THR A 62 -19.039 -7.206 -5.966 1.00 0.00 H new ATOM 0 HA THR A 62 -16.636 -8.423 -4.863 1.00 0.00 H new ATOM 0 HB THR A 62 -16.357 -9.552 -7.178 1.00 0.00 H new ATOM 0 HG1 THR A 62 -18.418 -10.219 -8.092 1.00 0.00 H new ATOM 0 HG21 THR A 62 -17.457 -11.612 -6.432 1.00 0.00 H new ATOM 0 HG22 THR A 62 -16.546 -10.820 -5.124 1.00 0.00 H new ATOM 0 HG23 THR A 62 -18.320 -10.688 -5.180 1.00 0.00 H new ATOM 911 N ILE A 63 -15.280 -6.965 -6.392 1.00 0.00 N ATOM 912 CA ILE A 63 -14.532 -6.014 -7.162 1.00 0.00 C ATOM 913 C ILE A 63 -14.028 -6.764 -8.376 1.00 0.00 C ATOM 914 O ILE A 63 -13.199 -7.680 -8.259 1.00 0.00 O ATOM 915 CB ILE A 63 -13.312 -5.428 -6.382 1.00 0.00 C ATOM 916 CG1 ILE A 63 -13.731 -4.985 -4.974 1.00 0.00 C ATOM 917 CG2 ILE A 63 -12.733 -4.224 -7.147 1.00 0.00 C ATOM 918 CD1 ILE A 63 -12.580 -4.495 -4.108 1.00 0.00 C ATOM 0 H ILE A 63 -14.725 -7.502 -5.726 1.00 0.00 H new ATOM 0 HA ILE A 63 -15.172 -5.168 -7.415 1.00 0.00 H new ATOM 0 HB ILE A 63 -12.554 -6.206 -6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -14.471 -4.189 -5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.219 -5.821 -4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.882 -3.819 -6.598 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -12.407 -4.544 -8.137 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -13.499 -3.455 -7.248 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.960 -4.201 -3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.849 -5.295 -3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.105 -3.638 -4.585 1.00 0.00 H new ATOM 930 N ASP A 64 -14.593 -6.448 -9.499 1.00 0.00 N ATOM 931 CA ASP A 64 -14.240 -7.076 -10.747 1.00 0.00 C ATOM 932 C ASP A 64 -13.008 -6.395 -11.293 1.00 0.00 C ATOM 933 O ASP A 64 -12.615 -5.330 -10.799 1.00 0.00 O ATOM 934 CB ASP A 64 -15.398 -6.984 -11.765 1.00 0.00 C ATOM 935 CG ASP A 64 -16.668 -7.697 -11.334 1.00 0.00 C ATOM 936 OD1 ASP A 64 -17.420 -7.157 -10.509 1.00 0.00 O ATOM 937 OD2 ASP A 64 -16.969 -8.783 -11.844 1.00 0.00 O ATOM 0 H ASP A 64 -15.322 -5.739 -9.583 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.040 -8.134 -10.574 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -15.628 -5.933 -11.942 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.065 -7.402 -12.715 1.00 0.00 H new ATOM 942 N PHE A 65 -12.423 -6.969 -12.316 1.00 0.00 N ATOM 943 CA PHE A 65 -11.183 -6.463 -12.886 1.00 0.00 C ATOM 944 C PHE A 65 -11.299 -4.995 -13.382 1.00 0.00 C ATOM 945 O PHE A 65 -10.523 -4.146 -12.934 1.00 0.00 O ATOM 946 CB PHE A 65 -10.654 -7.400 -13.972 1.00 0.00 C ATOM 947 CG PHE A 65 -9.317 -6.999 -14.517 1.00 0.00 C ATOM 948 CD1 PHE A 65 -8.199 -6.976 -13.701 1.00 0.00 C ATOM 949 CD2 PHE A 65 -9.179 -6.650 -15.843 1.00 0.00 C ATOM 950 CE1 PHE A 65 -6.974 -6.607 -14.200 1.00 0.00 C ATOM 951 CE2 PHE A 65 -7.956 -6.282 -16.349 1.00 0.00 C ATOM 952 CZ PHE A 65 -6.853 -6.259 -15.527 1.00 0.00 C ATOM 0 H PHE A 65 -12.787 -7.800 -12.782 1.00 0.00 H new ATOM 0 HA PHE A 65 -10.449 -6.443 -12.080 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.583 -8.409 -13.565 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.374 -7.436 -14.790 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.291 -7.251 -12.661 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.042 -6.666 -16.492 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.109 -6.590 -13.554 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.861 -6.011 -17.390 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.891 -5.968 -15.923 1.00 0.00 H new ATOM 962 N PRO A 66 -12.269 -4.661 -14.297 1.00 0.00 N ATOM 963 CA PRO A 66 -12.483 -3.277 -14.754 1.00 0.00 C ATOM 964 C PRO A 66 -12.671 -2.304 -13.582 1.00 0.00 C ATOM 965 O PRO A 66 -12.162 -1.194 -13.604 1.00 0.00 O ATOM 966 CB PRO A 66 -13.786 -3.363 -15.583 1.00 0.00 C ATOM 967 CG PRO A 66 -14.358 -4.706 -15.268 1.00 0.00 C ATOM 968 CD PRO A 66 -13.181 -5.579 -14.992 1.00 0.00 C ATOM 0 HA PRO A 66 -11.628 -2.900 -15.315 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -14.479 -2.566 -15.313 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.583 -3.261 -16.649 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.023 -4.658 -14.406 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.945 -5.089 -16.103 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.446 -6.436 -14.373 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -12.742 -5.972 -15.909 1.00 0.00 H new ATOM 976 N GLU A 67 -13.349 -2.765 -12.539 1.00 0.00 N ATOM 977 CA GLU A 67 -13.635 -1.941 -11.373 1.00 0.00 C ATOM 978 C GLU A 67 -12.362 -1.675 -10.586 1.00 0.00 C ATOM 979 O GLU A 67 -12.128 -0.554 -10.109 1.00 0.00 O ATOM 980 CB GLU A 67 -14.657 -2.622 -10.488 1.00 0.00 C ATOM 981 CG GLU A 67 -15.946 -2.961 -11.207 1.00 0.00 C ATOM 982 CD GLU A 67 -16.919 -3.705 -10.339 1.00 0.00 C ATOM 983 OE1 GLU A 67 -18.133 -3.485 -10.438 1.00 0.00 O ATOM 984 OE2 GLU A 67 -16.520 -4.553 -9.546 1.00 0.00 O ATOM 0 H GLU A 67 -13.714 -3.715 -12.478 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.041 -0.989 -11.715 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.224 -3.537 -10.084 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.882 -1.974 -9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.412 -2.041 -11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.718 -3.562 -12.087 1.00 0.00 H new ATOM 991 N PHE A 68 -11.526 -2.700 -10.480 1.00 0.00 N ATOM 992 CA PHE A 68 -10.273 -2.606 -9.765 1.00 0.00 C ATOM 993 C PHE A 68 -9.355 -1.632 -10.508 1.00 0.00 C ATOM 994 O PHE A 68 -8.665 -0.807 -9.893 1.00 0.00 O ATOM 995 CB PHE A 68 -9.614 -3.993 -9.660 1.00 0.00 C ATOM 996 CG PHE A 68 -8.751 -4.174 -8.436 1.00 0.00 C ATOM 997 CD1 PHE A 68 -7.473 -3.638 -8.359 1.00 0.00 C ATOM 998 CD2 PHE A 68 -9.235 -4.885 -7.349 1.00 0.00 C ATOM 999 CE1 PHE A 68 -6.714 -3.809 -7.230 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -8.470 -5.057 -6.216 1.00 0.00 C ATOM 1001 CZ PHE A 68 -7.210 -4.518 -6.157 1.00 0.00 C ATOM 0 H PHE A 68 -11.703 -3.617 -10.890 1.00 0.00 H new ATOM 0 HA PHE A 68 -10.452 -2.240 -8.754 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -10.394 -4.755 -9.657 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.006 -4.163 -10.548 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.074 -3.082 -9.194 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -10.227 -5.311 -7.391 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.722 -3.386 -7.181 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.861 -5.614 -5.377 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.607 -4.649 -5.271 1.00 0.00 H new ATOM 1011 N LEU A 69 -9.384 -1.712 -11.836 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.608 -0.819 -12.684 1.00 0.00 C ATOM 1013 C LEU A 69 -9.101 0.608 -12.538 1.00 0.00 C ATOM 1014 O LEU A 69 -8.298 1.532 -12.391 1.00 0.00 O ATOM 1015 CB LEU A 69 -8.680 -1.230 -14.151 1.00 0.00 C ATOM 1016 CG LEU A 69 -8.153 -2.611 -14.515 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -8.277 -2.819 -16.009 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.705 -2.788 -14.067 1.00 0.00 C ATOM 0 H LEU A 69 -9.943 -2.394 -12.349 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.570 -0.885 -12.359 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.722 -1.172 -14.467 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.128 -0.493 -14.735 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.750 -3.360 -13.994 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.900 -3.808 -16.271 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.324 -2.741 -16.302 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.696 -2.059 -16.532 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.358 -3.784 -14.342 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.080 -2.039 -14.553 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.641 -2.667 -12.986 1.00 0.00 H new ATOM 1030 N THR A 70 -10.425 0.780 -12.563 1.00 0.00 N ATOM 1031 CA THR A 70 -11.046 2.084 -12.385 1.00 0.00 C ATOM 1032 C THR A 70 -10.606 2.696 -11.049 1.00 0.00 C ATOM 1033 O THR A 70 -10.214 3.870 -10.989 1.00 0.00 O ATOM 1034 CB THR A 70 -12.601 1.975 -12.447 1.00 0.00 C ATOM 1035 OG1 THR A 70 -13.004 1.426 -13.721 1.00 0.00 O ATOM 1036 CG2 THR A 70 -13.264 3.335 -12.251 1.00 0.00 C ATOM 0 H THR A 70 -11.089 0.020 -12.707 1.00 0.00 H new ATOM 0 HA THR A 70 -10.721 2.734 -13.198 1.00 0.00 H new ATOM 0 HB THR A 70 -12.922 1.317 -11.639 1.00 0.00 H new ATOM 0 HG1 THR A 70 -12.725 0.488 -13.776 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.347 3.222 -12.300 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.985 3.739 -11.278 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.934 4.017 -13.035 1.00 0.00 H new ATOM 1044 N MET A 71 -10.621 1.873 -10.003 1.00 0.00 N ATOM 1045 CA MET A 71 -10.186 2.280 -8.674 1.00 0.00 C ATOM 1046 C MET A 71 -8.741 2.748 -8.697 1.00 0.00 C ATOM 1047 O MET A 71 -8.437 3.826 -8.218 1.00 0.00 O ATOM 1048 CB MET A 71 -10.369 1.137 -7.670 1.00 0.00 C ATOM 1049 CG MET A 71 -9.776 1.400 -6.280 1.00 0.00 C ATOM 1050 SD MET A 71 -10.179 0.102 -5.079 1.00 0.00 S ATOM 1051 CE MET A 71 -9.706 -1.369 -5.977 1.00 0.00 C ATOM 0 H MET A 71 -10.936 0.904 -10.056 1.00 0.00 H new ATOM 0 HA MET A 71 -10.808 3.117 -8.356 1.00 0.00 H new ATOM 0 HB2 MET A 71 -11.435 0.934 -7.562 1.00 0.00 H new ATOM 0 HB3 MET A 71 -9.913 0.236 -8.080 1.00 0.00 H new ATOM 0 HG2 MET A 71 -8.693 1.486 -6.364 1.00 0.00 H new ATOM 0 HG3 MET A 71 -10.144 2.357 -5.909 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.711 -2.225 -5.302 1.00 0.00 H new ATOM 0 HE2 MET A 71 -10.413 -1.543 -6.789 1.00 0.00 H new ATOM 0 HE3 MET A 71 -8.705 -1.238 -6.389 1.00 0.00 H new ATOM 1061 N MET A 72 -7.874 1.959 -9.297 1.00 0.00 N ATOM 1062 CA MET A 72 -6.462 2.305 -9.383 1.00 0.00 C ATOM 1063 C MET A 72 -6.232 3.582 -10.173 1.00 0.00 C ATOM 1064 O MET A 72 -5.496 4.466 -9.731 1.00 0.00 O ATOM 1065 CB MET A 72 -5.636 1.152 -9.934 1.00 0.00 C ATOM 1066 CG MET A 72 -5.512 -0.003 -8.962 1.00 0.00 C ATOM 1067 SD MET A 72 -4.745 0.518 -7.414 1.00 0.00 S ATOM 1068 CE MET A 72 -4.714 -1.018 -6.504 1.00 0.00 C ATOM 0 H MET A 72 -8.119 1.071 -9.735 1.00 0.00 H new ATOM 0 HA MET A 72 -6.122 2.496 -8.365 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.091 0.795 -10.858 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.640 1.514 -10.188 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.500 -0.417 -8.759 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.919 -0.799 -9.414 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.041 -0.923 -5.652 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.718 -1.251 -6.149 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.364 -1.819 -7.155 1.00 0.00 H new ATOM 1078 N ALA A 73 -6.919 3.711 -11.295 1.00 0.00 N ATOM 1079 CA ALA A 73 -6.817 4.895 -12.142 1.00 0.00 C ATOM 1080 C ALA A 73 -7.276 6.167 -11.394 1.00 0.00 C ATOM 1081 O ALA A 73 -6.880 7.277 -11.731 1.00 0.00 O ATOM 1082 CB ALA A 73 -7.610 4.686 -13.423 1.00 0.00 C ATOM 0 H ALA A 73 -7.562 3.002 -11.647 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.769 5.043 -12.404 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.529 5.574 -14.050 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.213 3.825 -13.960 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.657 4.509 -13.178 1.00 0.00 H new ATOM 1088 N ARG A 74 -8.120 5.987 -10.392 1.00 0.00 N ATOM 1089 CA ARG A 74 -8.557 7.075 -9.534 1.00 0.00 C ATOM 1090 C ARG A 74 -7.511 7.320 -8.449 1.00 0.00 C ATOM 1091 O ARG A 74 -7.132 8.459 -8.168 1.00 0.00 O ATOM 1092 CB ARG A 74 -9.877 6.709 -8.850 1.00 0.00 C ATOM 1093 CG ARG A 74 -11.092 6.626 -9.752 1.00 0.00 C ATOM 1094 CD ARG A 74 -12.286 6.029 -9.005 1.00 0.00 C ATOM 1095 NE ARG A 74 -12.635 6.776 -7.784 1.00 0.00 N ATOM 1096 CZ ARG A 74 -13.473 6.349 -6.827 1.00 0.00 C ATOM 1097 NH1 ARG A 74 -14.013 5.131 -6.887 1.00 0.00 N ATOM 1098 NH2 ARG A 74 -13.740 7.130 -5.798 1.00 0.00 N ATOM 0 H ARG A 74 -8.522 5.081 -10.150 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.690 7.967 -10.145 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.751 5.747 -8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.077 7.446 -8.072 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.347 7.621 -10.118 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.861 6.015 -10.625 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -13.149 6.007 -9.670 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -12.062 4.996 -8.740 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.205 7.692 -7.656 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.790 4.512 -7.667 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.649 4.818 -6.153 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.310 8.053 -5.733 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.376 6.811 -5.067 1.00 0.00 H new ATOM 1112 N LYS A 75 -6.998 6.225 -7.920 1.00 0.00 N ATOM 1113 CA LYS A 75 -6.107 6.204 -6.769 1.00 0.00 C ATOM 1114 C LYS A 75 -4.754 6.824 -7.095 1.00 0.00 C ATOM 1115 O LYS A 75 -4.085 7.353 -6.227 1.00 0.00 O ATOM 1116 CB LYS A 75 -5.927 4.747 -6.328 1.00 0.00 C ATOM 1117 CG LYS A 75 -5.071 4.529 -5.098 1.00 0.00 C ATOM 1118 CD LYS A 75 -4.854 3.092 -4.869 1.00 0.00 C ATOM 1119 CE LYS A 75 -3.976 2.819 -3.666 1.00 0.00 C ATOM 1120 NZ LYS A 75 -4.601 3.181 -2.382 1.00 0.00 N ATOM 0 H LYS A 75 -7.195 5.295 -8.289 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.547 6.796 -5.967 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.912 4.320 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.489 4.189 -7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.112 5.032 -5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.555 4.973 -4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.817 2.601 -4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.397 2.652 -5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.718 1.760 -3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.043 3.373 -3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.880 3.178 -1.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.021 4.130 -2.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.344 2.491 -2.151 1.00 0.00 H new ATOM 1134 N MET A 76 -4.356 6.741 -8.334 1.00 0.00 N ATOM 1135 CA MET A 76 -3.074 7.281 -8.755 1.00 0.00 C ATOM 1136 C MET A 76 -3.205 8.681 -9.342 1.00 0.00 C ATOM 1137 O MET A 76 -2.228 9.250 -9.831 1.00 0.00 O ATOM 1138 CB MET A 76 -2.387 6.343 -9.752 1.00 0.00 C ATOM 1139 CG MET A 76 -1.960 5.006 -9.159 1.00 0.00 C ATOM 1140 SD MET A 76 -1.150 3.919 -10.360 1.00 0.00 S ATOM 1141 CE MET A 76 -2.485 3.623 -11.518 1.00 0.00 C ATOM 0 H MET A 76 -4.897 6.304 -9.080 1.00 0.00 H new ATOM 0 HA MET A 76 -2.453 7.359 -7.863 1.00 0.00 H new ATOM 0 HB2 MET A 76 -3.064 6.158 -10.586 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.509 6.844 -10.159 1.00 0.00 H new ATOM 0 HG2 MET A 76 -1.281 5.186 -8.326 1.00 0.00 H new ATOM 0 HG3 MET A 76 -2.836 4.500 -8.753 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.256 2.743 -12.120 1.00 0.00 H new ATOM 0 HE2 MET A 76 -3.412 3.456 -10.970 1.00 0.00 H new ATOM 0 HE3 MET A 76 -2.600 4.489 -12.170 1.00 0.00 H new ATOM 1151 N LYS A 77 -4.397 9.257 -9.280 1.00 0.00 N ATOM 1152 CA LYS A 77 -4.609 10.582 -9.852 1.00 0.00 C ATOM 1153 C LYS A 77 -5.355 11.553 -8.956 1.00 0.00 C ATOM 1154 O LYS A 77 -4.895 12.684 -8.758 1.00 0.00 O ATOM 1155 CB LYS A 77 -5.241 10.523 -11.249 1.00 0.00 C ATOM 1156 CG LYS A 77 -4.239 10.238 -12.356 1.00 0.00 C ATOM 1157 CD LYS A 77 -4.899 10.158 -13.716 1.00 0.00 C ATOM 1158 CE LYS A 77 -3.862 10.176 -14.836 1.00 0.00 C ATOM 1159 NZ LYS A 77 -2.852 9.114 -14.703 1.00 0.00 N ATOM 0 H LYS A 77 -5.220 8.838 -8.848 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.603 10.989 -9.948 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.011 9.751 -11.259 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.738 11.471 -11.455 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.480 11.020 -12.367 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.726 9.299 -12.147 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.493 9.246 -13.782 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -5.586 10.995 -13.839 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.369 10.069 -15.795 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.363 11.145 -14.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.259 9.090 -15.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.256 9.304 -13.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.327 8.196 -14.586 1.00 0.00 H new ATOM 1173 N ASP A 78 -6.464 11.128 -8.394 1.00 0.00 N ATOM 1174 CA ASP A 78 -7.322 12.034 -7.625 1.00 0.00 C ATOM 1175 C ASP A 78 -6.748 12.353 -6.274 1.00 0.00 C ATOM 1176 O ASP A 78 -6.160 13.415 -6.046 1.00 0.00 O ATOM 1177 CB ASP A 78 -8.763 11.488 -7.520 1.00 0.00 C ATOM 1178 CG ASP A 78 -9.730 12.461 -6.865 1.00 0.00 C ATOM 1179 OD1 ASP A 78 -9.935 12.397 -5.634 1.00 0.00 O ATOM 1180 OD2 ASP A 78 -10.333 13.285 -7.577 1.00 0.00 O ATOM 0 H ASP A 78 -6.802 10.167 -8.448 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.365 12.975 -8.174 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.125 11.244 -8.519 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.751 10.559 -6.950 1.00 0.00 H new ATOM 1185 N THR A 79 -6.901 11.448 -5.427 1.00 0.00 N ATOM 1186 CA THR A 79 -6.438 11.527 -4.057 1.00 0.00 C ATOM 1187 C THR A 79 -6.057 10.098 -3.643 1.00 0.00 C ATOM 1188 O THR A 79 -6.337 9.159 -4.419 1.00 0.00 O ATOM 1189 CB THR A 79 -7.588 12.063 -3.137 1.00 0.00 C ATOM 1190 OG1 THR A 79 -8.242 13.179 -3.775 1.00 0.00 O ATOM 1191 CG2 THR A 79 -7.050 12.554 -1.803 1.00 0.00 C ATOM 0 H THR A 79 -7.372 10.569 -5.641 1.00 0.00 H new ATOM 0 HA THR A 79 -5.589 12.205 -3.963 1.00 0.00 H new ATOM 0 HB THR A 79 -8.281 11.238 -2.971 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.047 12.865 -4.238 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.874 12.919 -1.190 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.550 11.734 -1.288 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.339 13.362 -1.973 1.00 0.00 H new ATOM 1199 N ASP A 80 -5.416 9.930 -2.462 1.00 0.00 N ATOM 1200 CA ASP A 80 -5.021 8.613 -1.918 1.00 0.00 C ATOM 1201 C ASP A 80 -3.834 8.072 -2.723 1.00 0.00 C ATOM 1202 O ASP A 80 -3.626 6.868 -2.886 1.00 0.00 O ATOM 1203 CB ASP A 80 -6.238 7.651 -1.905 1.00 0.00 C ATOM 1204 CG ASP A 80 -6.014 6.374 -1.136 1.00 0.00 C ATOM 1205 OD1 ASP A 80 -5.952 5.301 -1.754 1.00 0.00 O ATOM 1206 OD2 ASP A 80 -5.935 6.421 0.107 1.00 0.00 O ATOM 0 H ASP A 80 -5.158 10.710 -1.858 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.696 8.709 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.094 8.173 -1.477 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.499 7.401 -2.933 1.00 0.00 H new ATOM 1211 N SER A 81 -3.007 8.998 -3.160 1.00 0.00 N ATOM 1212 CA SER A 81 -1.860 8.669 -3.955 1.00 0.00 C ATOM 1213 C SER A 81 -0.605 9.122 -3.246 1.00 0.00 C ATOM 1214 O SER A 81 0.177 8.310 -2.797 1.00 0.00 O ATOM 1215 CB SER A 81 -1.946 9.295 -5.357 1.00 0.00 C ATOM 1216 OG SER A 81 -0.884 8.837 -6.193 1.00 0.00 O ATOM 0 H SER A 81 -3.117 9.994 -2.971 1.00 0.00 H new ATOM 0 HA SER A 81 -1.831 7.587 -4.084 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.904 9.044 -5.812 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.906 10.381 -5.276 1.00 0.00 H new ATOM 0 HG SER A 81 -0.964 9.249 -7.079 1.00 0.00 H new ATOM 1222 N GLU A 82 -0.456 10.423 -3.090 1.00 0.00 N ATOM 1223 CA GLU A 82 0.718 11.003 -2.470 1.00 0.00 C ATOM 1224 C GLU A 82 0.822 10.547 -1.014 1.00 0.00 C ATOM 1225 O GLU A 82 1.911 10.253 -0.504 1.00 0.00 O ATOM 1226 CB GLU A 82 0.637 12.526 -2.585 1.00 0.00 C ATOM 1227 CG GLU A 82 1.831 13.275 -2.044 1.00 0.00 C ATOM 1228 CD GLU A 82 1.749 14.744 -2.342 1.00 0.00 C ATOM 1229 OE1 GLU A 82 1.192 15.496 -1.522 1.00 0.00 O ATOM 1230 OE2 GLU A 82 2.231 15.173 -3.411 1.00 0.00 O ATOM 0 H GLU A 82 -1.148 11.109 -3.391 1.00 0.00 H new ATOM 0 HA GLU A 82 1.621 10.666 -2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.508 12.789 -3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.255 12.867 -2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.896 13.126 -0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.744 12.866 -2.478 1.00 0.00 H new ATOM 1237 N GLU A 83 -0.326 10.417 -0.383 1.00 0.00 N ATOM 1238 CA GLU A 83 -0.408 9.974 0.978 1.00 0.00 C ATOM 1239 C GLU A 83 -0.041 8.498 1.061 1.00 0.00 C ATOM 1240 O GLU A 83 0.573 8.065 2.016 1.00 0.00 O ATOM 1241 CB GLU A 83 -1.787 10.181 1.553 1.00 0.00 C ATOM 1242 CG GLU A 83 -2.507 11.466 1.118 1.00 0.00 C ATOM 1243 CD GLU A 83 -3.300 11.297 -0.169 1.00 0.00 C ATOM 1244 OE1 GLU A 83 -4.535 11.262 -0.103 1.00 0.00 O ATOM 1245 OE2 GLU A 83 -2.704 11.161 -1.259 1.00 0.00 O ATOM 0 H GLU A 83 -1.230 10.619 -0.810 1.00 0.00 H new ATOM 0 HA GLU A 83 0.293 10.569 1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.407 9.328 1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.711 10.180 2.640 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.180 11.786 1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.772 12.260 0.984 1.00 0.00 H new ATOM 1252 N GLU A 84 -0.383 7.748 0.010 1.00 0.00 N ATOM 1253 CA GLU A 84 -0.077 6.317 -0.067 1.00 0.00 C ATOM 1254 C GLU A 84 1.406 6.154 -0.088 1.00 0.00 C ATOM 1255 O GLU A 84 1.964 5.361 0.647 1.00 0.00 O ATOM 1256 CB GLU A 84 -0.598 5.710 -1.368 1.00 0.00 C ATOM 1257 CG GLU A 84 -0.570 4.194 -1.392 1.00 0.00 C ATOM 1258 CD GLU A 84 -1.516 3.571 -0.397 1.00 0.00 C ATOM 1259 OE1 GLU A 84 -2.530 3.004 -0.811 1.00 0.00 O ATOM 1260 OE2 GLU A 84 -1.272 3.638 0.828 1.00 0.00 O ATOM 0 H GLU A 84 -0.876 8.112 -0.805 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.543 5.824 0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.622 6.048 -1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.002 6.088 -2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.825 3.847 -2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.444 3.852 -1.185 1.00 0.00 H new ATOM 1267 N ILE A 85 2.038 6.955 -0.924 1.00 0.00 N ATOM 1268 CA ILE A 85 3.466 6.879 -1.130 1.00 0.00 C ATOM 1269 C ILE A 85 4.182 7.249 0.163 1.00 0.00 C ATOM 1270 O ILE A 85 5.206 6.666 0.514 1.00 0.00 O ATOM 1271 CB ILE A 85 3.940 7.790 -2.306 1.00 0.00 C ATOM 1272 CG1 ILE A 85 3.033 7.636 -3.562 1.00 0.00 C ATOM 1273 CG2 ILE A 85 5.392 7.514 -2.669 1.00 0.00 C ATOM 1274 CD1 ILE A 85 2.634 6.204 -3.931 1.00 0.00 C ATOM 0 H ILE A 85 1.574 7.675 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 85 3.716 5.855 -1.407 1.00 0.00 H new ATOM 0 HB ILE A 85 3.859 8.820 -1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.124 8.216 -3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.548 8.079 -4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.691 8.164 -3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.026 7.707 -1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.500 6.473 -2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.004 6.220 -4.820 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.530 5.617 -4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.084 5.755 -3.104 1.00 0.00 H new ATOM 1286 N ARG A 86 3.610 8.194 0.894 1.00 0.00 N ATOM 1287 CA ARG A 86 4.144 8.545 2.184 1.00 0.00 C ATOM 1288 C ARG A 86 4.038 7.377 3.134 1.00 0.00 C ATOM 1289 O ARG A 86 5.003 7.021 3.768 1.00 0.00 O ATOM 1290 CB ARG A 86 3.430 9.714 2.812 1.00 0.00 C ATOM 1291 CG ARG A 86 3.982 10.014 4.192 1.00 0.00 C ATOM 1292 CD ARG A 86 3.096 10.949 4.954 1.00 0.00 C ATOM 1293 NE ARG A 86 3.636 11.252 6.280 1.00 0.00 N ATOM 1294 CZ ARG A 86 3.000 11.070 7.445 1.00 0.00 C ATOM 1295 NH1 ARG A 86 1.912 10.296 7.515 1.00 0.00 N ATOM 1296 NH2 ARG A 86 3.518 11.572 8.556 1.00 0.00 N ATOM 0 H ARG A 86 2.784 8.722 0.612 1.00 0.00 H new ATOM 0 HA ARG A 86 5.185 8.820 2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.536 10.593 2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.364 9.498 2.883 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.093 9.084 4.749 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.976 10.451 4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.975 11.874 4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.105 10.507 5.058 1.00 0.00 H new ATOM 0 HE ARG A 86 4.580 11.636 6.321 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.558 9.837 6.676 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.436 10.165 8.408 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.395 12.092 8.520 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.040 11.438 9.447 1.00 0.00 H new ATOM 1310 N GLU A 87 2.862 6.786 3.216 1.00 0.00 N ATOM 1311 CA GLU A 87 2.610 5.695 4.145 1.00 0.00 C ATOM 1312 C GLU A 87 3.450 4.464 3.816 1.00 0.00 C ATOM 1313 O GLU A 87 3.940 3.775 4.713 1.00 0.00 O ATOM 1314 CB GLU A 87 1.123 5.355 4.197 1.00 0.00 C ATOM 1315 CG GLU A 87 0.244 6.521 4.633 1.00 0.00 C ATOM 1316 CD GLU A 87 0.742 7.232 5.873 1.00 0.00 C ATOM 1317 OE1 GLU A 87 0.744 6.618 6.968 1.00 0.00 O ATOM 1318 OE2 GLU A 87 1.094 8.428 5.781 1.00 0.00 O ATOM 0 H GLU A 87 2.057 7.044 2.646 1.00 0.00 H new ATOM 0 HA GLU A 87 2.913 6.033 5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.802 5.018 3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.973 4.522 4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.178 7.239 3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.766 6.154 4.817 1.00 0.00 H new ATOM 1325 N ALA A 88 3.646 4.228 2.537 1.00 0.00 N ATOM 1326 CA ALA A 88 4.456 3.132 2.059 1.00 0.00 C ATOM 1327 C ALA A 88 5.925 3.350 2.424 1.00 0.00 C ATOM 1328 O ALA A 88 6.669 2.411 2.586 1.00 0.00 O ATOM 1329 CB ALA A 88 4.286 2.974 0.562 1.00 0.00 C ATOM 0 H ALA A 88 3.243 4.798 1.793 1.00 0.00 H new ATOM 0 HA ALA A 88 4.124 2.213 2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.901 2.145 0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.240 2.771 0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.595 3.892 0.062 1.00 0.00 H new ATOM 1335 N PHE A 89 6.321 4.597 2.546 1.00 0.00 N ATOM 1336 CA PHE A 89 7.665 4.929 2.970 1.00 0.00 C ATOM 1337 C PHE A 89 7.752 4.815 4.497 1.00 0.00 C ATOM 1338 O PHE A 89 8.649 4.167 5.048 1.00 0.00 O ATOM 1339 CB PHE A 89 7.999 6.357 2.526 1.00 0.00 C ATOM 1340 CG PHE A 89 9.391 6.790 2.842 1.00 0.00 C ATOM 1341 CD1 PHE A 89 10.417 6.483 1.983 1.00 0.00 C ATOM 1342 CD2 PHE A 89 9.674 7.497 3.996 1.00 0.00 C ATOM 1343 CE1 PHE A 89 11.706 6.868 2.259 1.00 0.00 C ATOM 1344 CE2 PHE A 89 10.959 7.887 4.279 1.00 0.00 C ATOM 1345 CZ PHE A 89 11.975 7.570 3.409 1.00 0.00 C ATOM 0 H PHE A 89 5.727 5.404 2.356 1.00 0.00 H new ATOM 0 HA PHE A 89 8.380 4.242 2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.842 6.436 1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.300 7.045 3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 89 10.208 5.931 1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.877 7.745 4.681 1.00 0.00 H new ATOM 0 HE1 PHE A 89 12.504 6.620 1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 89 11.171 8.441 5.182 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.988 7.874 3.630 1.00 0.00 H new ATOM 1355 N ARG A 90 6.787 5.446 5.141 1.00 0.00 N ATOM 1356 CA ARG A 90 6.620 5.526 6.594 1.00 0.00 C ATOM 1357 C ARG A 90 6.603 4.149 7.263 1.00 0.00 C ATOM 1358 O ARG A 90 7.008 4.007 8.411 1.00 0.00 O ATOM 1359 CB ARG A 90 5.298 6.239 6.869 1.00 0.00 C ATOM 1360 CG ARG A 90 4.984 6.519 8.277 1.00 0.00 C ATOM 1361 CD ARG A 90 3.680 7.171 8.410 1.00 0.00 C ATOM 1362 NE ARG A 90 3.366 7.536 9.790 1.00 0.00 N ATOM 1363 CZ ARG A 90 2.138 7.828 10.240 1.00 0.00 C ATOM 1364 NH1 ARG A 90 1.082 7.716 9.436 1.00 0.00 N ATOM 1365 NH2 ARG A 90 1.966 8.201 11.506 1.00 0.00 N ATOM 0 H ARG A 90 6.053 5.948 4.642 1.00 0.00 H new ATOM 0 HA ARG A 90 7.469 6.068 7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.301 7.184 6.326 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.492 5.635 6.453 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.988 5.589 8.845 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.758 7.157 8.705 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.662 8.067 7.789 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.906 6.505 8.030 1.00 0.00 H new ATOM 0 HE ARG A 90 4.136 7.571 10.458 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.206 7.406 8.472 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.150 7.940 9.784 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.768 8.264 12.133 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.032 8.424 11.850 1.00 0.00 H new ATOM 1379 N VAL A 91 6.120 3.152 6.562 1.00 0.00 N ATOM 1380 CA VAL A 91 6.064 1.828 7.126 1.00 0.00 C ATOM 1381 C VAL A 91 7.471 1.208 7.264 1.00 0.00 C ATOM 1382 O VAL A 91 7.720 0.419 8.168 1.00 0.00 O ATOM 1383 CB VAL A 91 5.101 0.900 6.354 1.00 0.00 C ATOM 1384 CG1 VAL A 91 5.571 0.643 4.930 1.00 0.00 C ATOM 1385 CG2 VAL A 91 4.878 -0.387 7.121 1.00 0.00 C ATOM 0 H VAL A 91 5.764 3.231 5.610 1.00 0.00 H new ATOM 0 HA VAL A 91 5.655 1.932 8.131 1.00 0.00 H new ATOM 0 HB VAL A 91 4.142 1.410 6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.863 -0.014 4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.635 1.589 4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.553 0.170 4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.197 -1.030 6.563 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.831 -0.899 7.257 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.446 -0.160 8.095 1.00 0.00 H new ATOM 1395 N PHE A 92 8.385 1.591 6.395 1.00 0.00 N ATOM 1396 CA PHE A 92 9.749 1.116 6.510 1.00 0.00 C ATOM 1397 C PHE A 92 10.486 2.036 7.456 1.00 0.00 C ATOM 1398 O PHE A 92 11.124 1.596 8.424 1.00 0.00 O ATOM 1399 CB PHE A 92 10.461 1.088 5.153 1.00 0.00 C ATOM 1400 CG PHE A 92 9.844 0.175 4.135 1.00 0.00 C ATOM 1401 CD1 PHE A 92 9.989 -1.196 4.233 1.00 0.00 C ATOM 1402 CD2 PHE A 92 9.131 0.689 3.076 1.00 0.00 C ATOM 1403 CE1 PHE A 92 9.431 -2.034 3.289 1.00 0.00 C ATOM 1404 CE2 PHE A 92 8.570 -0.141 2.131 1.00 0.00 C ATOM 1405 CZ PHE A 92 8.719 -1.505 2.237 1.00 0.00 C ATOM 0 H PHE A 92 8.212 2.221 5.612 1.00 0.00 H new ATOM 0 HA PHE A 92 9.737 0.093 6.887 1.00 0.00 H new ATOM 0 HB2 PHE A 92 10.480 2.100 4.748 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.497 0.787 5.309 1.00 0.00 H new ATOM 0 HD1 PHE A 92 10.545 -1.616 5.058 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.010 1.758 2.985 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.553 -3.104 3.376 1.00 0.00 H new ATOM 0 HE2 PHE A 92 8.013 0.279 1.306 1.00 0.00 H new ATOM 0 HZ PHE A 92 8.279 -2.158 1.498 1.00 0.00 H new ATOM 1415 N ASP A 93 10.351 3.318 7.194 1.00 0.00 N ATOM 1416 CA ASP A 93 10.968 4.340 8.000 1.00 0.00 C ATOM 1417 C ASP A 93 10.040 4.730 9.148 1.00 0.00 C ATOM 1418 O ASP A 93 9.296 5.722 9.085 1.00 0.00 O ATOM 1419 CB ASP A 93 11.383 5.554 7.142 1.00 0.00 C ATOM 1420 CG ASP A 93 11.952 6.702 7.952 1.00 0.00 C ATOM 1421 OD1 ASP A 93 11.597 7.871 7.690 1.00 0.00 O ATOM 1422 OD2 ASP A 93 12.731 6.469 8.884 1.00 0.00 O ATOM 0 H ASP A 93 9.806 3.679 6.411 1.00 0.00 H new ATOM 0 HA ASP A 93 11.885 3.943 8.435 1.00 0.00 H new ATOM 0 HB2 ASP A 93 12.124 5.234 6.409 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.516 5.908 6.585 1.00 0.00 H new ATOM 1427 N LYS A 94 10.047 3.892 10.166 1.00 0.00 N ATOM 1428 CA LYS A 94 9.194 4.045 11.344 1.00 0.00 C ATOM 1429 C LYS A 94 9.703 5.147 12.267 1.00 0.00 C ATOM 1430 O LYS A 94 8.919 5.815 12.969 1.00 0.00 O ATOM 1431 CB LYS A 94 9.136 2.724 12.128 1.00 0.00 C ATOM 1432 CG LYS A 94 8.407 1.563 11.442 1.00 0.00 C ATOM 1433 CD LYS A 94 6.941 1.750 11.404 1.00 0.00 C ATOM 1434 CE LYS A 94 6.224 0.481 10.954 1.00 0.00 C ATOM 1435 NZ LYS A 94 4.751 0.604 11.039 1.00 0.00 N ATOM 0 H LYS A 94 10.652 3.072 10.205 1.00 0.00 H new ATOM 0 HA LYS A 94 8.199 4.318 10.993 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.157 2.408 12.344 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.652 2.915 13.086 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.782 1.456 10.424 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.637 0.635 11.966 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.585 2.039 12.393 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.695 2.567 10.726 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.508 0.251 9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.552 -0.356 11.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.310 -0.283 10.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.475 0.797 12.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.432 1.385 10.431 1.00 0.00 H new ATOM 1449 N ASP A 95 11.002 5.345 12.279 1.00 0.00 N ATOM 1450 CA ASP A 95 11.605 6.327 13.168 1.00 0.00 C ATOM 1451 C ASP A 95 11.600 7.722 12.571 1.00 0.00 C ATOM 1452 O ASP A 95 11.854 8.708 13.272 1.00 0.00 O ATOM 1453 CB ASP A 95 13.022 5.927 13.617 1.00 0.00 C ATOM 1454 CG ASP A 95 13.049 4.766 14.594 1.00 0.00 C ATOM 1455 OD1 ASP A 95 13.103 3.596 14.162 1.00 0.00 O ATOM 1456 OD2 ASP A 95 13.052 5.008 15.829 1.00 0.00 O ATOM 0 H ASP A 95 11.664 4.843 11.687 1.00 0.00 H new ATOM 0 HA ASP A 95 10.977 6.346 14.058 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.611 5.664 12.738 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.504 6.789 14.078 1.00 0.00 H new ATOM 1461 N GLY A 96 11.310 7.818 11.292 1.00 0.00 N ATOM 1462 CA GLY A 96 11.225 9.111 10.647 1.00 0.00 C ATOM 1463 C GLY A 96 12.586 9.684 10.371 1.00 0.00 C ATOM 1464 O GLY A 96 12.894 10.822 10.745 1.00 0.00 O ATOM 0 H GLY A 96 11.130 7.022 10.681 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.674 9.016 9.712 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.663 9.797 11.280 1.00 0.00 H new ATOM 1468 N ASN A 97 13.405 8.894 9.741 1.00 0.00 N ATOM 1469 CA ASN A 97 14.763 9.271 9.400 1.00 0.00 C ATOM 1470 C ASN A 97 14.794 9.915 8.037 1.00 0.00 C ATOM 1471 O ASN A 97 15.751 10.605 7.689 1.00 0.00 O ATOM 1472 CB ASN A 97 15.702 8.046 9.424 1.00 0.00 C ATOM 1473 CG ASN A 97 16.029 7.520 10.824 1.00 0.00 C ATOM 1474 OD1 ASN A 97 15.154 7.724 11.767 1.00 0.00 O flip ATOM 1475 ND2 ASN A 97 17.081 6.928 11.047 1.00 0.00 N flip ATOM 0 H ASN A 97 13.153 7.952 9.441 1.00 0.00 H new ATOM 0 HA ASN A 97 15.114 9.985 10.145 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.245 7.243 8.846 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.633 8.309 8.922 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.752 6.779 10.293 1.00 0.00 H new ATOM 0 HD22 ASN A 97 17.284 6.585 11.986 1.00 0.00 H new ATOM 1482 N GLY A 98 13.743 9.702 7.263 1.00 0.00 N ATOM 1483 CA GLY A 98 13.665 10.302 5.953 1.00 0.00 C ATOM 1484 C GLY A 98 14.369 9.478 4.897 1.00 0.00 C ATOM 1485 O GLY A 98 14.549 9.933 3.758 1.00 0.00 O ATOM 0 H GLY A 98 12.943 9.124 7.520 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.618 10.426 5.675 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.106 11.298 5.986 1.00 0.00 H new ATOM 1489 N TYR A 99 14.766 8.276 5.264 1.00 0.00 N ATOM 1490 CA TYR A 99 15.421 7.361 4.356 1.00 0.00 C ATOM 1491 C TYR A 99 15.235 5.959 4.877 1.00 0.00 C ATOM 1492 O TYR A 99 14.986 5.781 6.069 1.00 0.00 O ATOM 1493 CB TYR A 99 16.934 7.678 4.191 1.00 0.00 C ATOM 1494 CG TYR A 99 17.812 7.383 5.401 1.00 0.00 C ATOM 1495 CD1 TYR A 99 18.492 6.175 5.505 1.00 0.00 C ATOM 1496 CD2 TYR A 99 17.973 8.309 6.419 1.00 0.00 C ATOM 1497 CE1 TYR A 99 19.302 5.900 6.584 1.00 0.00 C ATOM 1498 CE2 TYR A 99 18.782 8.037 7.507 1.00 0.00 C ATOM 1499 CZ TYR A 99 19.443 6.832 7.581 1.00 0.00 C ATOM 1500 OH TYR A 99 20.264 6.561 8.656 1.00 0.00 O ATOM 0 H TYR A 99 14.642 7.906 6.206 1.00 0.00 H new ATOM 0 HA TYR A 99 14.970 7.467 3.370 1.00 0.00 H new ATOM 0 HB2 TYR A 99 17.314 7.108 3.343 1.00 0.00 H new ATOM 0 HB3 TYR A 99 17.039 8.733 3.939 1.00 0.00 H new ATOM 0 HD1 TYR A 99 18.383 5.437 4.724 1.00 0.00 H new ATOM 0 HD2 TYR A 99 17.459 9.257 6.362 1.00 0.00 H new ATOM 0 HE1 TYR A 99 19.823 4.956 6.645 1.00 0.00 H new ATOM 0 HE2 TYR A 99 18.895 8.767 8.295 1.00 0.00 H new ATOM 0 HH TYR A 99 20.256 7.322 9.273 1.00 0.00 H new ATOM 1510 N ILE A 100 15.332 4.989 4.009 1.00 0.00 N ATOM 1511 CA ILE A 100 15.220 3.609 4.400 1.00 0.00 C ATOM 1512 C ILE A 100 16.620 3.012 4.375 1.00 0.00 C ATOM 1513 O ILE A 100 17.394 3.264 3.422 1.00 0.00 O ATOM 1514 CB ILE A 100 14.344 2.774 3.417 1.00 0.00 C ATOM 1515 CG1 ILE A 100 13.136 3.588 2.888 1.00 0.00 C ATOM 1516 CG2 ILE A 100 13.879 1.492 4.106 1.00 0.00 C ATOM 1517 CD1 ILE A 100 12.238 2.829 1.923 1.00 0.00 C ATOM 0 H ILE A 100 15.491 5.132 3.012 1.00 0.00 H new ATOM 0 HA ILE A 100 14.753 3.575 5.384 1.00 0.00 H new ATOM 0 HB ILE A 100 14.954 2.515 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 100 12.538 3.920 3.737 1.00 0.00 H new ATOM 0 HG13 ILE A 100 13.508 4.484 2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 100 13.267 0.910 3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 100 14.747 0.904 4.405 1.00 0.00 H new ATOM 0 HG23 ILE A 100 13.291 1.746 4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 100 11.419 3.474 1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 100 12.817 2.521 1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 100 11.833 1.948 2.420 1.00 0.00 H new ATOM 1529 N SER A 101 16.955 2.273 5.396 1.00 0.00 N ATOM 1530 CA SER A 101 18.227 1.604 5.469 1.00 0.00 C ATOM 1531 C SER A 101 17.989 0.088 5.259 1.00 0.00 C ATOM 1532 O SER A 101 16.911 -0.416 5.585 1.00 0.00 O ATOM 1533 CB SER A 101 18.874 1.902 6.836 1.00 0.00 C ATOM 1534 OG SER A 101 20.218 1.433 6.914 1.00 0.00 O ATOM 0 H SER A 101 16.353 2.116 6.204 1.00 0.00 H new ATOM 0 HA SER A 101 18.909 1.958 4.696 1.00 0.00 H new ATOM 0 HB2 SER A 101 18.856 2.977 7.017 1.00 0.00 H new ATOM 0 HB3 SER A 101 18.283 1.436 7.624 1.00 0.00 H new ATOM 0 HG SER A 101 20.588 1.645 7.796 1.00 0.00 H new ATOM 1540 N ALA A 102 18.978 -0.623 4.711 1.00 0.00 N ATOM 1541 CA ALA A 102 18.842 -2.055 4.375 1.00 0.00 C ATOM 1542 C ALA A 102 18.507 -2.921 5.581 1.00 0.00 C ATOM 1543 O ALA A 102 17.484 -3.616 5.589 1.00 0.00 O ATOM 1544 CB ALA A 102 20.095 -2.574 3.686 1.00 0.00 C ATOM 0 H ALA A 102 19.893 -0.231 4.486 1.00 0.00 H new ATOM 0 HA ALA A 102 17.999 -2.127 3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 102 19.969 -3.631 3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 102 20.263 -2.014 2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 102 20.952 -2.450 4.348 1.00 0.00 H new ATOM 1550 N ALA A 103 19.334 -2.851 6.608 1.00 0.00 N ATOM 1551 CA ALA A 103 19.142 -3.665 7.805 1.00 0.00 C ATOM 1552 C ALA A 103 17.858 -3.281 8.524 1.00 0.00 C ATOM 1553 O ALA A 103 17.236 -4.101 9.195 1.00 0.00 O ATOM 1554 CB ALA A 103 20.338 -3.550 8.729 1.00 0.00 C ATOM 0 H ALA A 103 20.149 -2.238 6.642 1.00 0.00 H new ATOM 0 HA ALA A 103 19.052 -4.706 7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 103 20.174 -4.164 9.614 1.00 0.00 H new ATOM 0 HB2 ALA A 103 21.233 -3.893 8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 103 20.468 -2.510 9.028 1.00 0.00 H new ATOM 1560 N GLU A 104 17.459 -2.045 8.345 1.00 0.00 N ATOM 1561 CA GLU A 104 16.239 -1.521 8.911 1.00 0.00 C ATOM 1562 C GLU A 104 15.025 -2.082 8.177 1.00 0.00 C ATOM 1563 O GLU A 104 14.020 -2.446 8.798 1.00 0.00 O ATOM 1564 CB GLU A 104 16.267 -0.016 8.841 1.00 0.00 C ATOM 1565 CG GLU A 104 14.998 0.657 9.274 1.00 0.00 C ATOM 1566 CD GLU A 104 15.176 2.133 9.322 1.00 0.00 C ATOM 1567 OE1 GLU A 104 15.360 2.683 10.444 1.00 0.00 O ATOM 1568 OE2 GLU A 104 15.202 2.766 8.276 1.00 0.00 O ATOM 0 H GLU A 104 17.981 -1.364 7.793 1.00 0.00 H new ATOM 0 HA GLU A 104 16.162 -1.825 9.955 1.00 0.00 H new ATOM 0 HB2 GLU A 104 17.085 0.348 9.463 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.489 0.282 7.816 1.00 0.00 H new ATOM 0 HG2 GLU A 104 14.193 0.405 8.584 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.702 0.289 10.257 1.00 0.00 H new ATOM 1575 N LEU A 105 15.134 -2.178 6.866 1.00 0.00 N ATOM 1576 CA LEU A 105 14.081 -2.739 6.046 1.00 0.00 C ATOM 1577 C LEU A 105 13.911 -4.212 6.444 1.00 0.00 C ATOM 1578 O LEU A 105 12.803 -4.708 6.580 1.00 0.00 O ATOM 1579 CB LEU A 105 14.446 -2.561 4.538 1.00 0.00 C ATOM 1580 CG LEU A 105 13.352 -2.831 3.467 1.00 0.00 C ATOM 1581 CD1 LEU A 105 13.808 -2.303 2.121 1.00 0.00 C ATOM 1582 CD2 LEU A 105 13.048 -4.311 3.325 1.00 0.00 C ATOM 0 H LEU A 105 15.953 -1.870 6.342 1.00 0.00 H new ATOM 0 HA LEU A 105 13.131 -2.227 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 105 14.796 -1.538 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 105 15.289 -3.218 4.322 1.00 0.00 H new ATOM 0 HG LEU A 105 12.447 -2.321 3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.037 -2.495 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 105 13.985 -1.230 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 105 14.730 -2.804 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 105 12.278 -4.453 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.953 -4.841 3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 105 12.694 -4.703 4.279 1.00 0.00 H new ATOM 1594 N ARG A 106 15.027 -4.878 6.698 1.00 0.00 N ATOM 1595 CA ARG A 106 15.007 -6.267 7.140 1.00 0.00 C ATOM 1596 C ARG A 106 14.380 -6.340 8.541 1.00 0.00 C ATOM 1597 O ARG A 106 13.603 -7.248 8.839 1.00 0.00 O ATOM 1598 CB ARG A 106 16.448 -6.843 7.134 1.00 0.00 C ATOM 1599 CG ARG A 106 16.569 -8.374 7.165 1.00 0.00 C ATOM 1600 CD ARG A 106 16.212 -8.954 8.515 1.00 0.00 C ATOM 1601 NE ARG A 106 17.210 -8.601 9.529 1.00 0.00 N ATOM 1602 CZ ARG A 106 17.099 -8.776 10.853 1.00 0.00 C ATOM 1603 NH1 ARG A 106 15.963 -9.208 11.396 1.00 0.00 N ATOM 1604 NH2 ARG A 106 18.131 -8.488 11.637 1.00 0.00 N ATOM 0 H ARG A 106 15.961 -4.479 6.606 1.00 0.00 H new ATOM 0 HA ARG A 106 14.405 -6.869 6.459 1.00 0.00 H new ATOM 0 HB2 ARG A 106 16.959 -6.477 6.243 1.00 0.00 H new ATOM 0 HB3 ARG A 106 16.981 -6.440 7.995 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.916 -8.803 6.405 1.00 0.00 H new ATOM 0 HG3 ARG A 106 17.589 -8.660 6.908 1.00 0.00 H new ATOM 0 HD2 ARG A 106 15.233 -8.587 8.823 1.00 0.00 H new ATOM 0 HD3 ARG A 106 16.137 -10.039 8.438 1.00 0.00 H new ATOM 0 HE ARG A 106 18.076 -8.180 9.193 1.00 0.00 H new ATOM 0 HH11 ARG A 106 15.159 -9.412 10.802 1.00 0.00 H new ATOM 0 HH12 ARG A 106 15.897 -9.335 12.406 1.00 0.00 H new ATOM 0 HH21 ARG A 106 18.998 -8.137 11.230 1.00 0.00 H new ATOM 0 HH22 ARG A 106 18.057 -8.618 12.646 1.00 0.00 H new ATOM 1618 N HIS A 107 14.696 -5.356 9.367 1.00 0.00 N ATOM 1619 CA HIS A 107 14.191 -5.279 10.732 1.00 0.00 C ATOM 1620 C HIS A 107 12.666 -5.218 10.723 1.00 0.00 C ATOM 1621 O HIS A 107 12.007 -5.984 11.442 1.00 0.00 O ATOM 1622 CB HIS A 107 14.769 -4.043 11.451 1.00 0.00 C ATOM 1623 CG HIS A 107 14.502 -3.979 12.934 1.00 0.00 C ATOM 1624 ND1 HIS A 107 15.487 -4.127 13.865 1.00 0.00 N ATOM 1625 CD2 HIS A 107 13.363 -3.769 13.637 1.00 0.00 C ATOM 1626 CE1 HIS A 107 14.981 -4.021 15.065 1.00 0.00 C ATOM 1627 NE2 HIS A 107 13.696 -3.802 14.957 1.00 0.00 N ATOM 0 H HIS A 107 15.312 -4.584 9.111 1.00 0.00 H new ATOM 0 HA HIS A 107 14.506 -6.172 11.272 1.00 0.00 H new ATOM 0 HB2 HIS A 107 15.847 -4.021 11.291 1.00 0.00 H new ATOM 0 HB3 HIS A 107 14.359 -3.147 10.985 1.00 0.00 H new ATOM 0 HD2 HIS A 107 12.377 -3.606 13.228 1.00 0.00 H new ATOM 0 HE1 HIS A 107 15.531 -4.101 15.991 1.00 0.00 H new ATOM 0 HE2 HIS A 107 13.049 -3.676 15.735 1.00 0.00 H new ATOM 1636 N VAL A 108 12.104 -4.331 9.896 1.00 0.00 N ATOM 1637 CA VAL A 108 10.658 -4.197 9.836 1.00 0.00 C ATOM 1638 C VAL A 108 10.034 -5.482 9.298 1.00 0.00 C ATOM 1639 O VAL A 108 8.996 -5.886 9.756 1.00 0.00 O ATOM 1640 CB VAL A 108 10.159 -2.933 9.033 1.00 0.00 C ATOM 1641 CG1 VAL A 108 10.347 -3.062 7.526 1.00 0.00 C ATOM 1642 CG2 VAL A 108 8.708 -2.606 9.368 1.00 0.00 C ATOM 0 H VAL A 108 12.621 -3.710 9.274 1.00 0.00 H new ATOM 0 HA VAL A 108 10.321 -4.031 10.859 1.00 0.00 H new ATOM 0 HB VAL A 108 10.791 -2.105 9.354 1.00 0.00 H new ATOM 0 HG11 VAL A 108 9.983 -2.159 7.035 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.405 -3.196 7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 108 9.787 -3.923 7.162 1.00 0.00 H new ATOM 0 HG21 VAL A 108 8.392 -1.731 8.800 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.075 -3.455 9.109 1.00 0.00 H new ATOM 0 HG23 VAL A 108 8.619 -2.398 10.434 1.00 0.00 H new ATOM 1652 N MET A 109 10.735 -6.163 8.390 1.00 0.00 N ATOM 1653 CA MET A 109 10.254 -7.429 7.819 1.00 0.00 C ATOM 1654 C MET A 109 10.045 -8.465 8.877 1.00 0.00 C ATOM 1655 O MET A 109 9.002 -9.109 8.927 1.00 0.00 O ATOM 1656 CB MET A 109 11.193 -7.956 6.753 1.00 0.00 C ATOM 1657 CG MET A 109 11.165 -7.105 5.545 1.00 0.00 C ATOM 1658 SD MET A 109 9.520 -7.041 4.852 1.00 0.00 S ATOM 1659 CE MET A 109 9.689 -5.616 3.832 1.00 0.00 C ATOM 0 H MET A 109 11.641 -5.861 8.031 1.00 0.00 H new ATOM 0 HA MET A 109 9.293 -7.216 7.352 1.00 0.00 H new ATOM 0 HB2 MET A 109 12.208 -7.998 7.148 1.00 0.00 H new ATOM 0 HB3 MET A 109 10.912 -8.975 6.489 1.00 0.00 H new ATOM 0 HG2 MET A 109 11.498 -6.098 5.796 1.00 0.00 H new ATOM 0 HG3 MET A 109 11.862 -7.495 4.803 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.704 -5.287 3.500 1.00 0.00 H new ATOM 0 HE2 MET A 109 10.166 -4.817 4.399 1.00 0.00 H new ATOM 0 HE3 MET A 109 10.301 -5.860 2.964 1.00 0.00 H new ATOM 1669 N THR A 110 11.006 -8.580 9.762 1.00 0.00 N ATOM 1670 CA THR A 110 10.932 -9.518 10.850 1.00 0.00 C ATOM 1671 C THR A 110 9.758 -9.140 11.810 1.00 0.00 C ATOM 1672 O THR A 110 9.119 -10.004 12.412 1.00 0.00 O ATOM 1673 CB THR A 110 12.281 -9.535 11.588 1.00 0.00 C ATOM 1674 OG1 THR A 110 13.342 -9.716 10.614 1.00 0.00 O ATOM 1675 CG2 THR A 110 12.340 -10.665 12.600 1.00 0.00 C ATOM 0 H THR A 110 11.861 -8.024 9.746 1.00 0.00 H new ATOM 0 HA THR A 110 10.731 -10.519 10.467 1.00 0.00 H new ATOM 0 HB THR A 110 12.399 -8.591 12.121 1.00 0.00 H new ATOM 0 HG1 THR A 110 13.518 -8.865 10.161 1.00 0.00 H new ATOM 0 HG21 THR A 110 13.306 -10.651 13.105 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.544 -10.538 13.334 1.00 0.00 H new ATOM 0 HG23 THR A 110 12.212 -11.619 12.088 1.00 0.00 H new ATOM 1683 N ASN A 111 9.454 -7.847 11.888 1.00 0.00 N ATOM 1684 CA ASN A 111 8.331 -7.356 12.705 1.00 0.00 C ATOM 1685 C ASN A 111 6.991 -7.548 11.976 1.00 0.00 C ATOM 1686 O ASN A 111 5.929 -7.622 12.602 1.00 0.00 O ATOM 1687 CB ASN A 111 8.508 -5.860 13.076 1.00 0.00 C ATOM 1688 CG ASN A 111 9.657 -5.584 14.042 1.00 0.00 C ATOM 1689 OD1 ASN A 111 10.652 -6.307 14.081 1.00 0.00 O ATOM 1690 ND2 ASN A 111 9.544 -4.522 14.805 1.00 0.00 N ATOM 0 H ASN A 111 9.966 -7.114 11.397 1.00 0.00 H new ATOM 0 HA ASN A 111 8.325 -7.944 13.623 1.00 0.00 H new ATOM 0 HB2 ASN A 111 8.671 -5.288 12.163 1.00 0.00 H new ATOM 0 HB3 ASN A 111 7.581 -5.495 13.519 1.00 0.00 H new ATOM 0 HD21 ASN A 111 10.293 -4.277 15.452 1.00 0.00 H new ATOM 0 HD22 ASN A 111 8.707 -3.942 14.750 1.00 0.00 H new ATOM 1697 N LEU A 112 7.042 -7.617 10.655 1.00 0.00 N ATOM 1698 CA LEU A 112 5.844 -7.768 9.822 1.00 0.00 C ATOM 1699 C LEU A 112 5.509 -9.242 9.607 1.00 0.00 C ATOM 1700 O LEU A 112 4.371 -9.591 9.278 1.00 0.00 O ATOM 1701 CB LEU A 112 6.060 -7.089 8.454 1.00 0.00 C ATOM 1702 CG LEU A 112 6.355 -5.582 8.483 1.00 0.00 C ATOM 1703 CD1 LEU A 112 6.749 -5.072 7.105 1.00 0.00 C ATOM 1704 CD2 LEU A 112 5.164 -4.806 9.013 1.00 0.00 C ATOM 0 H LEU A 112 7.911 -7.571 10.124 1.00 0.00 H new ATOM 0 HA LEU A 112 5.012 -7.292 10.341 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.886 -7.590 7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 112 5.170 -7.252 7.846 1.00 0.00 H new ATOM 0 HG LEU A 112 7.197 -5.424 9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.952 -4.002 7.157 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.643 -5.595 6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.935 -5.253 6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 112 5.399 -3.742 9.023 1.00 0.00 H new ATOM 0 HD22 LEU A 112 4.301 -4.981 8.371 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.936 -5.137 10.026 1.00 0.00 H new ATOM 1716 N GLY A 113 6.479 -10.096 9.807 1.00 0.00 N ATOM 1717 CA GLY A 113 6.267 -11.510 9.608 1.00 0.00 C ATOM 1718 C GLY A 113 6.785 -11.975 8.264 1.00 0.00 C ATOM 1719 O GLY A 113 6.318 -12.978 7.719 1.00 0.00 O ATOM 0 H GLY A 113 7.420 -9.841 10.106 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.765 -12.067 10.401 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.202 -11.732 9.683 1.00 0.00 H new ATOM 1723 N GLU A 114 7.745 -11.253 7.727 1.00 0.00 N ATOM 1724 CA GLU A 114 8.325 -11.581 6.466 1.00 0.00 C ATOM 1725 C GLU A 114 9.745 -12.041 6.670 1.00 0.00 C ATOM 1726 O GLU A 114 10.408 -11.676 7.653 1.00 0.00 O ATOM 1727 CB GLU A 114 8.313 -10.391 5.493 1.00 0.00 C ATOM 1728 CG GLU A 114 6.934 -9.859 5.135 1.00 0.00 C ATOM 1729 CD GLU A 114 5.984 -10.960 4.716 1.00 0.00 C ATOM 1730 OE1 GLU A 114 4.884 -11.063 5.270 1.00 0.00 O ATOM 1731 OE2 GLU A 114 6.331 -11.759 3.825 1.00 0.00 O ATOM 0 H GLU A 114 8.139 -10.420 8.164 1.00 0.00 H new ATOM 0 HA GLU A 114 7.724 -12.377 6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.895 -9.580 5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.819 -10.688 4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.518 -9.330 5.992 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.026 -9.134 4.326 1.00 0.00 H new ATOM 1738 N LYS A 115 10.209 -12.824 5.762 1.00 0.00 N ATOM 1739 CA LYS A 115 11.544 -13.340 5.804 1.00 0.00 C ATOM 1740 C LYS A 115 12.272 -12.993 4.544 1.00 0.00 C ATOM 1741 O LYS A 115 12.005 -13.553 3.479 1.00 0.00 O ATOM 1742 CB LYS A 115 11.557 -14.850 6.044 1.00 0.00 C ATOM 1743 CG LYS A 115 11.058 -15.271 7.414 1.00 0.00 C ATOM 1744 CD LYS A 115 11.949 -14.720 8.519 1.00 0.00 C ATOM 1745 CE LYS A 115 11.476 -15.157 9.893 1.00 0.00 C ATOM 1746 NZ LYS A 115 11.470 -16.632 10.052 1.00 0.00 N ATOM 0 H LYS A 115 9.669 -13.133 4.954 1.00 0.00 H new ATOM 0 HA LYS A 115 12.058 -12.875 6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.943 -15.332 5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.575 -15.218 5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.037 -14.917 7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.030 -16.359 7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.973 -15.058 8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 115 11.961 -13.631 8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.121 -14.716 10.653 1.00 0.00 H new ATOM 0 HE3 LYS A 115 10.471 -14.772 10.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 11.355 -16.872 11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 10.682 -17.037 9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.369 -17.022 9.703 1.00 0.00 H new ATOM 1760 N LEU A 116 13.146 -12.035 4.648 1.00 0.00 N ATOM 1761 CA LEU A 116 13.953 -11.622 3.540 1.00 0.00 C ATOM 1762 C LEU A 116 15.390 -11.720 3.969 1.00 0.00 C ATOM 1763 O LEU A 116 15.691 -11.606 5.168 1.00 0.00 O ATOM 1764 CB LEU A 116 13.650 -10.170 3.126 1.00 0.00 C ATOM 1765 CG LEU A 116 12.198 -9.813 2.778 1.00 0.00 C ATOM 1766 CD1 LEU A 116 12.123 -8.377 2.316 1.00 0.00 C ATOM 1767 CD2 LEU A 116 11.639 -10.730 1.703 1.00 0.00 C ATOM 0 H LEU A 116 13.319 -11.516 5.509 1.00 0.00 H new ATOM 0 HA LEU A 116 13.741 -12.261 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 116 13.970 -9.517 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 116 14.270 -9.932 2.262 1.00 0.00 H new ATOM 0 HG LEU A 116 11.595 -9.944 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.091 -8.127 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.476 -7.720 3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 116 12.748 -8.246 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 116 10.610 -10.447 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.241 -10.640 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.665 -11.761 2.055 1.00 0.00 H new ATOM 1779 N THR A 117 16.258 -11.945 3.042 1.00 0.00 N ATOM 1780 CA THR A 117 17.653 -12.033 3.330 1.00 0.00 C ATOM 1781 C THR A 117 18.271 -10.647 3.293 1.00 0.00 C ATOM 1782 O THR A 117 17.627 -9.675 2.842 1.00 0.00 O ATOM 1783 CB THR A 117 18.340 -12.919 2.286 1.00 0.00 C ATOM 1784 OG1 THR A 117 18.002 -12.435 0.976 1.00 0.00 O ATOM 1785 CG2 THR A 117 17.885 -14.354 2.424 1.00 0.00 C ATOM 0 H THR A 117 16.021 -12.074 2.058 1.00 0.00 H new ATOM 0 HA THR A 117 17.786 -12.466 4.321 1.00 0.00 H new ATOM 0 HB THR A 117 19.419 -12.882 2.438 1.00 0.00 H new ATOM 0 HG1 THR A 117 18.438 -12.993 0.299 1.00 0.00 H new ATOM 0 HG21 THR A 117 18.384 -14.968 1.674 1.00 0.00 H new ATOM 0 HG22 THR A 117 18.136 -14.721 3.419 1.00 0.00 H new ATOM 0 HG23 THR A 117 16.806 -14.409 2.279 1.00 0.00 H new ATOM 1793 N ASP A 118 19.500 -10.548 3.744 1.00 0.00 N ATOM 1794 CA ASP A 118 20.232 -9.299 3.688 1.00 0.00 C ATOM 1795 C ASP A 118 20.485 -8.941 2.243 1.00 0.00 C ATOM 1796 O ASP A 118 20.437 -7.783 1.864 1.00 0.00 O ATOM 1797 CB ASP A 118 21.551 -9.372 4.475 1.00 0.00 C ATOM 1798 CG ASP A 118 21.364 -9.311 5.983 1.00 0.00 C ATOM 1799 OD1 ASP A 118 20.972 -10.329 6.608 1.00 0.00 O ATOM 1800 OD2 ASP A 118 21.640 -8.238 6.580 1.00 0.00 O ATOM 0 H ASP A 118 20.019 -11.323 4.157 1.00 0.00 H new ATOM 0 HA ASP A 118 19.630 -8.521 4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 118 22.067 -10.297 4.218 1.00 0.00 H new ATOM 0 HB3 ASP A 118 22.196 -8.550 4.164 1.00 0.00 H new ATOM 1805 N GLU A 119 20.708 -9.968 1.435 1.00 0.00 N ATOM 1806 CA GLU A 119 20.886 -9.828 0.005 1.00 0.00 C ATOM 1807 C GLU A 119 19.638 -9.201 -0.620 1.00 0.00 C ATOM 1808 O GLU A 119 19.727 -8.306 -1.456 1.00 0.00 O ATOM 1809 CB GLU A 119 21.129 -11.197 -0.673 1.00 0.00 C ATOM 1810 CG GLU A 119 22.284 -12.039 -0.119 1.00 0.00 C ATOM 1811 CD GLU A 119 21.954 -12.787 1.164 1.00 0.00 C ATOM 1812 OE1 GLU A 119 21.974 -12.181 2.246 1.00 0.00 O ATOM 1813 OE2 GLU A 119 21.701 -14.004 1.101 1.00 0.00 O ATOM 0 H GLU A 119 20.770 -10.932 1.763 1.00 0.00 H new ATOM 0 HA GLU A 119 21.756 -9.191 -0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 119 20.213 -11.783 -0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 119 21.310 -11.025 -1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 119 22.589 -12.760 -0.878 1.00 0.00 H new ATOM 0 HG3 GLU A 119 23.138 -11.387 0.064 1.00 0.00 H new ATOM 1820 N GLU A 120 18.482 -9.680 -0.186 1.00 0.00 N ATOM 1821 CA GLU A 120 17.202 -9.235 -0.701 1.00 0.00 C ATOM 1822 C GLU A 120 16.954 -7.766 -0.351 1.00 0.00 C ATOM 1823 O GLU A 120 16.716 -6.937 -1.234 1.00 0.00 O ATOM 1824 CB GLU A 120 16.079 -10.096 -0.125 1.00 0.00 C ATOM 1825 CG GLU A 120 14.757 -9.955 -0.849 1.00 0.00 C ATOM 1826 CD GLU A 120 14.799 -10.577 -2.224 1.00 0.00 C ATOM 1827 OE1 GLU A 120 14.274 -11.705 -2.386 1.00 0.00 O ATOM 1828 OE2 GLU A 120 15.373 -9.980 -3.153 1.00 0.00 O ATOM 0 H GLU A 120 18.408 -10.394 0.539 1.00 0.00 H new ATOM 0 HA GLU A 120 17.218 -9.336 -1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 120 16.387 -11.141 -0.153 1.00 0.00 H new ATOM 0 HB3 GLU A 120 15.936 -9.834 0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.969 -10.426 -0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.502 -8.899 -0.936 1.00 0.00 H new ATOM 1835 N VAL A 121 17.060 -7.442 0.932 1.00 0.00 N ATOM 1836 CA VAL A 121 16.770 -6.091 1.412 1.00 0.00 C ATOM 1837 C VAL A 121 17.773 -5.064 0.853 1.00 0.00 C ATOM 1838 O VAL A 121 17.401 -3.945 0.504 1.00 0.00 O ATOM 1839 CB VAL A 121 16.715 -6.022 2.973 1.00 0.00 C ATOM 1840 CG1 VAL A 121 15.676 -6.989 3.502 1.00 0.00 C ATOM 1841 CG2 VAL A 121 18.066 -6.322 3.599 1.00 0.00 C ATOM 0 H VAL A 121 17.345 -8.095 1.662 1.00 0.00 H new ATOM 0 HA VAL A 121 15.779 -5.832 1.038 1.00 0.00 H new ATOM 0 HB VAL A 121 16.439 -5.004 3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 121 15.647 -6.932 4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 121 14.698 -6.728 3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 121 15.935 -8.003 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 121 17.985 -6.264 4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 121 18.386 -7.324 3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 121 18.798 -5.594 3.250 1.00 0.00 H new ATOM 1851 N ASP A 122 19.030 -5.475 0.721 1.00 0.00 N ATOM 1852 CA ASP A 122 20.090 -4.608 0.198 1.00 0.00 C ATOM 1853 C ASP A 122 19.871 -4.335 -1.282 1.00 0.00 C ATOM 1854 O ASP A 122 20.131 -3.225 -1.770 1.00 0.00 O ATOM 1855 CB ASP A 122 21.470 -5.238 0.458 1.00 0.00 C ATOM 1856 CG ASP A 122 22.640 -4.445 -0.087 1.00 0.00 C ATOM 1857 OD1 ASP A 122 22.899 -3.310 0.389 1.00 0.00 O ATOM 1858 OD2 ASP A 122 23.361 -4.969 -0.967 1.00 0.00 O ATOM 0 H ASP A 122 19.346 -6.412 0.971 1.00 0.00 H new ATOM 0 HA ASP A 122 20.056 -3.651 0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 122 21.601 -5.361 1.533 1.00 0.00 H new ATOM 0 HB3 ASP A 122 21.488 -6.235 0.018 1.00 0.00 H new ATOM 1863 N GLU A 123 19.339 -5.334 -1.983 1.00 0.00 N ATOM 1864 CA GLU A 123 19.014 -5.209 -3.396 1.00 0.00 C ATOM 1865 C GLU A 123 17.830 -4.252 -3.547 1.00 0.00 C ATOM 1866 O GLU A 123 17.800 -3.408 -4.458 1.00 0.00 O ATOM 1867 CB GLU A 123 18.651 -6.579 -3.977 1.00 0.00 C ATOM 1868 CG GLU A 123 18.543 -6.612 -5.494 1.00 0.00 C ATOM 1869 CD GLU A 123 19.857 -6.319 -6.152 1.00 0.00 C ATOM 1870 OE1 GLU A 123 20.740 -7.192 -6.128 1.00 0.00 O ATOM 1871 OE2 GLU A 123 20.057 -5.212 -6.670 1.00 0.00 O ATOM 0 H GLU A 123 19.123 -6.249 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 123 19.877 -4.820 -3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 123 19.402 -7.303 -3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 123 17.701 -6.900 -3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 123 18.188 -7.592 -5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 123 17.802 -5.883 -5.822 1.00 0.00 H new ATOM 1878 N MET A 124 16.864 -4.387 -2.630 1.00 0.00 N ATOM 1879 CA MET A 124 15.694 -3.511 -2.580 1.00 0.00 C ATOM 1880 C MET A 124 16.112 -2.073 -2.459 1.00 0.00 C ATOM 1881 O MET A 124 15.677 -1.225 -3.247 1.00 0.00 O ATOM 1882 CB MET A 124 14.763 -3.863 -1.421 1.00 0.00 C ATOM 1883 CG MET A 124 13.955 -5.121 -1.614 1.00 0.00 C ATOM 1884 SD MET A 124 12.823 -5.397 -0.243 1.00 0.00 S ATOM 1885 CE MET A 124 11.934 -6.815 -0.845 1.00 0.00 C ATOM 0 H MET A 124 16.874 -5.105 -1.906 1.00 0.00 H new ATOM 0 HA MET A 124 15.151 -3.659 -3.513 1.00 0.00 H new ATOM 0 HB2 MET A 124 15.359 -3.967 -0.514 1.00 0.00 H new ATOM 0 HB3 MET A 124 14.078 -3.030 -1.259 1.00 0.00 H new ATOM 0 HG2 MET A 124 13.391 -5.053 -2.544 1.00 0.00 H new ATOM 0 HG3 MET A 124 14.626 -5.974 -1.710 1.00 0.00 H new ATOM 0 HE1 MET A 124 11.225 -7.149 -0.087 1.00 0.00 H new ATOM 0 HE2 MET A 124 11.395 -6.547 -1.754 1.00 0.00 H new ATOM 0 HE3 MET A 124 12.637 -7.619 -1.064 1.00 0.00 H new ATOM 1895 N ILE A 125 16.979 -1.808 -1.491 1.00 0.00 N ATOM 1896 CA ILE A 125 17.509 -0.473 -1.272 1.00 0.00 C ATOM 1897 C ILE A 125 18.201 0.011 -2.535 1.00 0.00 C ATOM 1898 O ILE A 125 17.941 1.089 -3.001 1.00 0.00 O ATOM 1899 CB ILE A 125 18.524 -0.448 -0.085 1.00 0.00 C ATOM 1900 CG1 ILE A 125 17.860 -0.896 1.227 1.00 0.00 C ATOM 1901 CG2 ILE A 125 19.172 0.929 0.080 1.00 0.00 C ATOM 1902 CD1 ILE A 125 16.695 -0.038 1.681 1.00 0.00 C ATOM 0 H ILE A 125 17.332 -2.509 -0.840 1.00 0.00 H new ATOM 0 HA ILE A 125 16.676 0.184 -1.022 1.00 0.00 H new ATOM 0 HB ILE A 125 19.314 -1.159 -0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 125 17.512 -1.922 1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 125 18.614 -0.904 2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 125 19.871 0.904 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 125 19.707 1.191 -0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 125 18.400 1.673 0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 125 16.294 -0.434 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 125 17.036 0.985 1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 125 15.917 -0.048 0.918 1.00 0.00 H new ATOM 1914 N ARG A 126 18.999 -0.854 -3.113 1.00 0.00 N ATOM 1915 CA ARG A 126 19.810 -0.549 -4.282 1.00 0.00 C ATOM 1916 C ARG A 126 19.010 -0.087 -5.528 1.00 0.00 C ATOM 1917 O ARG A 126 19.510 0.734 -6.302 1.00 0.00 O ATOM 1918 CB ARG A 126 20.752 -1.726 -4.569 1.00 0.00 C ATOM 1919 CG ARG A 126 21.557 -1.656 -5.856 1.00 0.00 C ATOM 1920 CD ARG A 126 22.693 -2.673 -5.831 1.00 0.00 C ATOM 1921 NE ARG A 126 22.245 -4.042 -5.492 1.00 0.00 N ATOM 1922 CZ ARG A 126 22.664 -4.741 -4.415 1.00 0.00 C ATOM 1923 NH1 ARG A 126 23.375 -4.143 -3.474 1.00 0.00 N ATOM 1924 NH2 ARG A 126 22.338 -6.025 -4.273 1.00 0.00 N ATOM 0 H ARG A 126 19.110 -1.812 -2.782 1.00 0.00 H new ATOM 0 HA ARG A 126 20.406 0.331 -4.040 1.00 0.00 H new ATOM 0 HB2 ARG A 126 21.449 -1.815 -3.736 1.00 0.00 H new ATOM 0 HB3 ARG A 126 20.159 -2.640 -4.588 1.00 0.00 H new ATOM 0 HG2 ARG A 126 20.907 -1.849 -6.709 1.00 0.00 H new ATOM 0 HG3 ARG A 126 21.962 -0.652 -5.984 1.00 0.00 H new ATOM 0 HD2 ARG A 126 23.179 -2.688 -6.806 1.00 0.00 H new ATOM 0 HD3 ARG A 126 23.442 -2.353 -5.106 1.00 0.00 H new ATOM 0 HE ARG A 126 21.573 -4.489 -6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 126 23.607 -3.154 -3.561 1.00 0.00 H new ATOM 0 HH12 ARG A 126 23.691 -4.671 -2.661 1.00 0.00 H new ATOM 0 HH21 ARG A 126 21.768 -6.488 -4.981 1.00 0.00 H new ATOM 0 HH22 ARG A 126 22.659 -6.545 -3.456 1.00 0.00 H new ATOM 1938 N GLU A 127 17.780 -0.567 -5.729 1.00 0.00 N ATOM 1939 CA GLU A 127 17.033 -0.082 -6.899 1.00 0.00 C ATOM 1940 C GLU A 127 16.437 1.291 -6.603 1.00 0.00 C ATOM 1941 O GLU A 127 16.350 2.156 -7.484 1.00 0.00 O ATOM 1942 CB GLU A 127 15.909 -1.039 -7.385 1.00 0.00 C ATOM 1943 CG GLU A 127 14.657 -1.080 -6.511 1.00 0.00 C ATOM 1944 CD GLU A 127 13.389 -0.984 -7.342 1.00 0.00 C ATOM 1945 OE1 GLU A 127 13.139 0.087 -7.939 1.00 0.00 O ATOM 1946 OE2 GLU A 127 12.600 -1.945 -7.398 1.00 0.00 O ATOM 0 H GLU A 127 17.301 -1.248 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 127 17.759 -0.027 -7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 127 15.617 -0.746 -8.394 1.00 0.00 H new ATOM 0 HB3 GLU A 127 16.318 -2.047 -7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 127 14.645 -2.005 -5.935 1.00 0.00 H new ATOM 0 HG3 GLU A 127 14.686 -0.259 -5.795 1.00 0.00 H new ATOM 1953 N ALA A 128 16.081 1.493 -5.354 1.00 0.00 N ATOM 1954 CA ALA A 128 15.411 2.694 -4.925 1.00 0.00 C ATOM 1955 C ALA A 128 16.397 3.805 -4.623 1.00 0.00 C ATOM 1956 O ALA A 128 16.053 4.976 -4.656 1.00 0.00 O ATOM 1957 CB ALA A 128 14.543 2.382 -3.729 1.00 0.00 C ATOM 0 H ALA A 128 16.251 0.822 -4.605 1.00 0.00 H new ATOM 0 HA ALA A 128 14.778 3.054 -5.736 1.00 0.00 H new ATOM 0 HB1 ALA A 128 14.035 3.289 -3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.803 1.630 -4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 128 15.164 2.002 -2.918 1.00 0.00 H new ATOM 1963 N ASP A 129 17.600 3.412 -4.301 1.00 0.00 N ATOM 1964 CA ASP A 129 18.714 4.310 -4.070 1.00 0.00 C ATOM 1965 C ASP A 129 19.180 4.860 -5.411 1.00 0.00 C ATOM 1966 O ASP A 129 19.972 4.239 -6.128 1.00 0.00 O ATOM 1967 CB ASP A 129 19.828 3.546 -3.352 1.00 0.00 C ATOM 1968 CG ASP A 129 21.123 4.290 -3.233 1.00 0.00 C ATOM 1969 OD1 ASP A 129 21.213 5.263 -2.480 1.00 0.00 O ATOM 1970 OD2 ASP A 129 22.100 3.867 -3.846 1.00 0.00 O ATOM 0 H ASP A 129 17.846 2.429 -4.187 1.00 0.00 H new ATOM 0 HA ASP A 129 18.420 5.148 -3.438 1.00 0.00 H new ATOM 0 HB2 ASP A 129 19.483 3.283 -2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 129 20.009 2.611 -3.883 1.00 0.00 H new ATOM 1975 N ILE A 130 18.588 5.952 -5.781 1.00 0.00 N ATOM 1976 CA ILE A 130 18.786 6.581 -7.065 1.00 0.00 C ATOM 1977 C ILE A 130 20.030 7.452 -7.084 1.00 0.00 C ATOM 1978 O ILE A 130 20.738 7.519 -8.085 1.00 0.00 O ATOM 1979 CB ILE A 130 17.513 7.373 -7.482 1.00 0.00 C ATOM 1980 CG1 ILE A 130 16.336 6.389 -7.598 1.00 0.00 C ATOM 1981 CG2 ILE A 130 17.720 8.127 -8.802 1.00 0.00 C ATOM 1982 CD1 ILE A 130 15.002 7.029 -7.880 1.00 0.00 C ATOM 0 H ILE A 130 17.930 6.453 -5.183 1.00 0.00 H new ATOM 0 HA ILE A 130 18.951 5.797 -7.804 1.00 0.00 H new ATOM 0 HB ILE A 130 17.299 8.123 -6.720 1.00 0.00 H new ATOM 0 HG12 ILE A 130 16.555 5.674 -8.391 1.00 0.00 H new ATOM 0 HG13 ILE A 130 16.262 5.822 -6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 130 16.809 8.667 -9.059 1.00 0.00 H new ATOM 0 HG22 ILE A 130 18.542 8.834 -8.692 1.00 0.00 H new ATOM 0 HG23 ILE A 130 17.956 7.416 -9.594 1.00 0.00 H new ATOM 0 HD11 ILE A 130 14.235 6.258 -7.945 1.00 0.00 H new ATOM 0 HD12 ILE A 130 14.753 7.722 -7.076 1.00 0.00 H new ATOM 0 HD13 ILE A 130 15.051 7.572 -8.824 1.00 0.00 H new ATOM 1994 N ASP A 131 20.310 8.100 -5.978 1.00 0.00 N ATOM 1995 CA ASP A 131 21.476 8.978 -5.898 1.00 0.00 C ATOM 1996 C ASP A 131 22.764 8.175 -5.634 1.00 0.00 C ATOM 1997 O ASP A 131 23.878 8.690 -5.740 1.00 0.00 O ATOM 1998 CB ASP A 131 21.241 10.099 -4.865 1.00 0.00 C ATOM 1999 CG ASP A 131 22.406 11.052 -4.691 1.00 0.00 C ATOM 2000 OD1 ASP A 131 22.858 11.647 -5.692 1.00 0.00 O ATOM 2001 OD2 ASP A 131 22.849 11.264 -3.536 1.00 0.00 O ATOM 0 H ASP A 131 19.758 8.044 -5.122 1.00 0.00 H new ATOM 0 HA ASP A 131 21.616 9.463 -6.864 1.00 0.00 H new ATOM 0 HB2 ASP A 131 20.362 10.671 -5.163 1.00 0.00 H new ATOM 0 HB3 ASP A 131 21.014 9.644 -3.901 1.00 0.00 H new ATOM 2006 N GLY A 132 22.597 6.900 -5.337 1.00 0.00 N ATOM 2007 CA GLY A 132 23.729 6.013 -5.169 1.00 0.00 C ATOM 2008 C GLY A 132 24.472 6.259 -3.890 1.00 0.00 C ATOM 2009 O GLY A 132 25.693 6.399 -3.891 1.00 0.00 O ATOM 0 H GLY A 132 21.688 6.457 -5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 132 23.382 4.980 -5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 132 24.411 6.137 -6.010 1.00 0.00 H new ATOM 2013 N ASP A 133 23.759 6.322 -2.808 1.00 0.00 N ATOM 2014 CA ASP A 133 24.371 6.589 -1.519 1.00 0.00 C ATOM 2015 C ASP A 133 24.217 5.396 -0.586 1.00 0.00 C ATOM 2016 O ASP A 133 24.933 5.262 0.408 1.00 0.00 O ATOM 2017 CB ASP A 133 23.751 7.847 -0.907 1.00 0.00 C ATOM 2018 CG ASP A 133 24.308 8.204 0.447 1.00 0.00 C ATOM 2019 OD1 ASP A 133 25.492 8.605 0.537 1.00 0.00 O ATOM 2020 OD2 ASP A 133 23.564 8.158 1.434 1.00 0.00 O ATOM 0 H ASP A 133 22.748 6.193 -2.780 1.00 0.00 H new ATOM 0 HA ASP A 133 25.438 6.756 -1.663 1.00 0.00 H new ATOM 0 HB2 ASP A 133 23.908 8.685 -1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 133 22.674 7.704 -0.820 1.00 0.00 H new ATOM 2025 N GLY A 134 23.321 4.512 -0.928 1.00 0.00 N ATOM 2026 CA GLY A 134 23.084 3.338 -0.121 1.00 0.00 C ATOM 2027 C GLY A 134 21.939 3.559 0.836 1.00 0.00 C ATOM 2028 O GLY A 134 21.635 2.710 1.683 1.00 0.00 O ATOM 0 H GLY A 134 22.739 4.579 -1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 134 22.864 2.488 -0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 134 23.986 3.089 0.438 1.00 0.00 H new ATOM 2032 N GLN A 135 21.309 4.696 0.695 1.00 0.00 N ATOM 2033 CA GLN A 135 20.198 5.084 1.512 1.00 0.00 C ATOM 2034 C GLN A 135 19.122 5.567 0.586 1.00 0.00 C ATOM 2035 O GLN A 135 19.364 6.449 -0.221 1.00 0.00 O ATOM 2036 CB GLN A 135 20.594 6.232 2.465 1.00 0.00 C ATOM 2037 CG GLN A 135 21.733 5.906 3.424 1.00 0.00 C ATOM 2038 CD GLN A 135 22.104 7.068 4.338 1.00 0.00 C ATOM 2039 OE1 GLN A 135 21.265 7.903 4.702 1.00 0.00 O ATOM 2040 NE2 GLN A 135 23.351 7.143 4.705 1.00 0.00 N ATOM 0 H GLN A 135 21.563 5.391 -0.008 1.00 0.00 H new ATOM 0 HA GLN A 135 19.864 4.241 2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 135 20.878 7.099 1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 135 19.719 6.519 3.048 1.00 0.00 H new ATOM 0 HG2 GLN A 135 21.450 5.049 4.035 1.00 0.00 H new ATOM 0 HG3 GLN A 135 22.610 5.612 2.848 1.00 0.00 H new ATOM 0 HE21 GLN A 135 24.019 6.440 4.389 1.00 0.00 H new ATOM 0 HE22 GLN A 135 23.660 7.905 5.309 1.00 0.00 H new ATOM 2049 N VAL A 136 17.960 5.007 0.687 1.00 0.00 N ATOM 2050 CA VAL A 136 16.876 5.424 -0.171 1.00 0.00 C ATOM 2051 C VAL A 136 16.033 6.464 0.518 1.00 0.00 C ATOM 2052 O VAL A 136 15.370 6.184 1.513 1.00 0.00 O ATOM 2053 CB VAL A 136 16.015 4.228 -0.711 1.00 0.00 C ATOM 2054 CG1 VAL A 136 15.793 3.201 0.357 1.00 0.00 C ATOM 2055 CG2 VAL A 136 14.656 4.711 -1.209 1.00 0.00 C ATOM 0 H VAL A 136 17.729 4.264 1.347 1.00 0.00 H new ATOM 0 HA VAL A 136 17.324 5.875 -1.057 1.00 0.00 H new ATOM 0 HB VAL A 136 16.570 3.783 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 136 15.194 2.383 -0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 136 16.754 2.814 0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 136 15.269 3.657 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 136 14.081 3.862 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 136 14.117 5.187 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 136 14.799 5.430 -2.016 1.00 0.00 H new ATOM 2065 N ASN A 137 16.096 7.657 0.022 1.00 0.00 N ATOM 2066 CA ASN A 137 15.343 8.746 0.585 1.00 0.00 C ATOM 2067 C ASN A 137 13.956 8.781 0.004 1.00 0.00 C ATOM 2068 O ASN A 137 13.671 8.089 -0.985 1.00 0.00 O ATOM 2069 CB ASN A 137 16.064 10.069 0.377 1.00 0.00 C ATOM 2070 CG ASN A 137 17.366 10.120 1.143 1.00 0.00 C ATOM 2071 OD1 ASN A 137 17.401 10.557 2.293 1.00 0.00 O ATOM 2072 ND2 ASN A 137 18.432 9.660 0.533 1.00 0.00 N ATOM 0 H ASN A 137 16.668 7.911 -0.784 1.00 0.00 H new ATOM 0 HA ASN A 137 15.254 8.586 1.660 1.00 0.00 H new ATOM 0 HB2 ASN A 137 16.260 10.214 -0.685 1.00 0.00 H new ATOM 0 HB3 ASN A 137 15.421 10.889 0.697 1.00 0.00 H new ATOM 0 HD21 ASN A 137 19.332 9.656 1.013 1.00 0.00 H new ATOM 0 HD22 ASN A 137 18.361 9.306 -0.421 1.00 0.00 H new ATOM 2079 N TYR A 138 13.093 9.589 0.598 1.00 0.00 N ATOM 2080 CA TYR A 138 11.700 9.668 0.191 1.00 0.00 C ATOM 2081 C TYR A 138 11.552 10.034 -1.287 1.00 0.00 C ATOM 2082 O TYR A 138 10.814 9.381 -2.009 1.00 0.00 O ATOM 2083 CB TYR A 138 10.889 10.625 1.098 1.00 0.00 C ATOM 2084 CG TYR A 138 9.444 10.761 0.672 1.00 0.00 C ATOM 2085 CD1 TYR A 138 9.020 11.866 -0.044 1.00 0.00 C ATOM 2086 CD2 TYR A 138 8.517 9.762 0.943 1.00 0.00 C ATOM 2087 CE1 TYR A 138 7.722 11.976 -0.477 1.00 0.00 C ATOM 2088 CE2 TYR A 138 7.214 9.868 0.516 1.00 0.00 C ATOM 2089 CZ TYR A 138 6.819 10.981 -0.199 1.00 0.00 C ATOM 2090 OH TYR A 138 5.518 11.102 -0.651 1.00 0.00 O ATOM 0 H TYR A 138 13.337 10.206 1.373 1.00 0.00 H new ATOM 0 HA TYR A 138 11.280 8.670 0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 138 10.927 10.262 2.125 1.00 0.00 H new ATOM 0 HB3 TYR A 138 11.358 11.609 1.090 1.00 0.00 H new ATOM 0 HD1 TYR A 138 9.722 12.656 -0.266 1.00 0.00 H new ATOM 0 HD2 TYR A 138 8.825 8.888 1.498 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.411 12.846 -1.037 1.00 0.00 H new ATOM 0 HE2 TYR A 138 6.504 9.085 0.739 1.00 0.00 H new ATOM 0 HH TYR A 138 5.001 10.316 -0.375 1.00 0.00 H new ATOM 2100 N GLU A 139 12.299 11.028 -1.735 1.00 0.00 N ATOM 2101 CA GLU A 139 12.251 11.488 -3.134 1.00 0.00 C ATOM 2102 C GLU A 139 12.671 10.396 -4.097 1.00 0.00 C ATOM 2103 O GLU A 139 12.254 10.368 -5.250 1.00 0.00 O ATOM 2104 CB GLU A 139 13.170 12.672 -3.337 1.00 0.00 C ATOM 2105 CG GLU A 139 14.625 12.362 -3.062 1.00 0.00 C ATOM 2106 CD GLU A 139 15.554 13.492 -3.396 1.00 0.00 C ATOM 2107 OE1 GLU A 139 15.815 14.343 -2.521 1.00 0.00 O ATOM 2108 OE2 GLU A 139 16.054 13.542 -4.543 1.00 0.00 O ATOM 0 H GLU A 139 12.957 11.545 -1.151 1.00 0.00 H new ATOM 0 HA GLU A 139 11.218 11.770 -3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 139 13.070 13.027 -4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 139 12.851 13.485 -2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 139 14.741 12.107 -2.009 1.00 0.00 H new ATOM 0 HG3 GLU A 139 14.915 11.482 -3.637 1.00 0.00 H new ATOM 2115 N GLU A 140 13.492 9.516 -3.635 1.00 0.00 N ATOM 2116 CA GLU A 140 13.984 8.485 -4.468 1.00 0.00 C ATOM 2117 C GLU A 140 12.946 7.371 -4.521 1.00 0.00 C ATOM 2118 O GLU A 140 12.629 6.816 -5.582 1.00 0.00 O ATOM 2119 CB GLU A 140 15.324 7.991 -3.951 1.00 0.00 C ATOM 2120 CG GLU A 140 16.377 9.079 -3.900 1.00 0.00 C ATOM 2121 CD GLU A 140 17.648 8.629 -3.257 1.00 0.00 C ATOM 2122 OE1 GLU A 140 18.492 8.039 -3.938 1.00 0.00 O ATOM 2123 OE2 GLU A 140 17.832 8.895 -2.052 1.00 0.00 O ATOM 0 H GLU A 140 13.836 9.495 -2.675 1.00 0.00 H new ATOM 0 HA GLU A 140 14.150 8.855 -5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 140 15.191 7.575 -2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 140 15.677 7.181 -4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 140 16.589 9.420 -4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 140 15.982 9.935 -3.352 1.00 0.00 H new ATOM 2130 N PHE A 141 12.379 7.110 -3.365 1.00 0.00 N ATOM 2131 CA PHE A 141 11.338 6.133 -3.188 1.00 0.00 C ATOM 2132 C PHE A 141 10.096 6.463 -4.036 1.00 0.00 C ATOM 2133 O PHE A 141 9.554 5.577 -4.712 1.00 0.00 O ATOM 2134 CB PHE A 141 10.983 6.029 -1.691 1.00 0.00 C ATOM 2135 CG PHE A 141 9.769 5.205 -1.409 1.00 0.00 C ATOM 2136 CD1 PHE A 141 8.571 5.805 -1.081 1.00 0.00 C ATOM 2137 CD2 PHE A 141 9.817 3.838 -1.503 1.00 0.00 C ATOM 2138 CE1 PHE A 141 7.450 5.048 -0.855 1.00 0.00 C ATOM 2139 CE2 PHE A 141 8.697 3.077 -1.277 1.00 0.00 C ATOM 2140 CZ PHE A 141 7.513 3.684 -0.955 1.00 0.00 C ATOM 0 H PHE A 141 12.639 7.586 -2.501 1.00 0.00 H new ATOM 0 HA PHE A 141 11.704 5.167 -3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 141 11.831 5.602 -1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 141 10.828 7.032 -1.294 1.00 0.00 H new ATOM 0 HD1 PHE A 141 8.515 6.881 -1.001 1.00 0.00 H new ATOM 0 HD2 PHE A 141 10.748 3.354 -1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 141 6.517 5.528 -0.598 1.00 0.00 H new ATOM 0 HE2 PHE A 141 8.750 2.001 -1.353 1.00 0.00 H new ATOM 0 HZ PHE A 141 6.630 3.088 -0.780 1.00 0.00 H new ATOM 2150 N VAL A 142 9.682 7.746 -4.031 1.00 0.00 N ATOM 2151 CA VAL A 142 8.472 8.189 -4.754 1.00 0.00 C ATOM 2152 C VAL A 142 8.528 7.843 -6.233 1.00 0.00 C ATOM 2153 O VAL A 142 7.521 7.499 -6.842 1.00 0.00 O ATOM 2154 CB VAL A 142 8.184 9.725 -4.611 1.00 0.00 C ATOM 2155 CG1 VAL A 142 8.079 10.107 -3.184 1.00 0.00 C ATOM 2156 CG2 VAL A 142 9.200 10.604 -5.319 1.00 0.00 C ATOM 0 H VAL A 142 10.167 8.493 -3.535 1.00 0.00 H new ATOM 0 HA VAL A 142 7.658 7.642 -4.278 1.00 0.00 H new ATOM 0 HB VAL A 142 7.229 9.898 -5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.879 11.176 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.266 9.551 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 142 9.015 9.875 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 142 8.936 11.652 -5.177 1.00 0.00 H new ATOM 0 HG22 VAL A 142 10.191 10.420 -4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 142 9.202 10.372 -6.384 1.00 0.00 H new ATOM 2166 N GLN A 143 9.719 7.884 -6.782 1.00 0.00 N ATOM 2167 CA GLN A 143 9.921 7.694 -8.180 1.00 0.00 C ATOM 2168 C GLN A 143 9.903 6.223 -8.550 1.00 0.00 C ATOM 2169 O GLN A 143 9.142 5.813 -9.416 1.00 0.00 O ATOM 2170 CB GLN A 143 11.219 8.369 -8.603 1.00 0.00 C ATOM 2171 CG GLN A 143 11.522 8.271 -10.078 1.00 0.00 C ATOM 2172 CD GLN A 143 12.738 9.071 -10.466 1.00 0.00 C ATOM 2173 OE1 GLN A 143 13.655 9.262 -9.675 1.00 0.00 O ATOM 2174 NE2 GLN A 143 12.765 9.539 -11.670 1.00 0.00 N ATOM 0 H GLN A 143 10.577 8.053 -6.257 1.00 0.00 H new ATOM 0 HA GLN A 143 9.097 8.158 -8.722 1.00 0.00 H new ATOM 0 HB2 GLN A 143 11.175 9.421 -8.323 1.00 0.00 H new ATOM 0 HB3 GLN A 143 12.043 7.925 -8.045 1.00 0.00 H new ATOM 0 HG2 GLN A 143 11.677 7.226 -10.346 1.00 0.00 H new ATOM 0 HG3 GLN A 143 10.662 8.622 -10.648 1.00 0.00 H new ATOM 0 HE21 GLN A 143 11.985 9.362 -12.304 1.00 0.00 H new ATOM 0 HE22 GLN A 143 13.566 10.085 -11.987 1.00 0.00 H new ATOM 2183 N MET A 144 10.679 5.424 -7.850 1.00 0.00 N ATOM 2184 CA MET A 144 10.790 4.005 -8.187 1.00 0.00 C ATOM 2185 C MET A 144 9.496 3.249 -7.860 1.00 0.00 C ATOM 2186 O MET A 144 9.228 2.194 -8.423 1.00 0.00 O ATOM 2187 CB MET A 144 12.008 3.362 -7.487 1.00 0.00 C ATOM 2188 CG MET A 144 11.847 3.088 -5.989 1.00 0.00 C ATOM 2189 SD MET A 144 10.936 1.560 -5.640 1.00 0.00 S ATOM 2190 CE MET A 144 10.840 1.610 -3.874 1.00 0.00 C ATOM 0 H MET A 144 11.240 5.720 -7.051 1.00 0.00 H new ATOM 0 HA MET A 144 10.947 3.932 -9.263 1.00 0.00 H new ATOM 0 HB2 MET A 144 12.236 2.421 -7.987 1.00 0.00 H new ATOM 0 HB3 MET A 144 12.870 4.014 -7.627 1.00 0.00 H new ATOM 0 HG2 MET A 144 12.833 3.029 -5.528 1.00 0.00 H new ATOM 0 HG3 MET A 144 11.328 3.927 -5.526 1.00 0.00 H new ATOM 0 HE1 MET A 144 11.031 0.615 -3.471 1.00 0.00 H new ATOM 0 HE2 MET A 144 11.584 2.307 -3.489 1.00 0.00 H new ATOM 0 HE3 MET A 144 9.845 1.939 -3.573 1.00 0.00 H new ATOM 2200 N MET A 145 8.709 3.777 -6.930 1.00 0.00 N ATOM 2201 CA MET A 145 7.458 3.143 -6.576 1.00 0.00 C ATOM 2202 C MET A 145 6.358 3.443 -7.590 1.00 0.00 C ATOM 2203 O MET A 145 5.571 2.568 -7.916 1.00 0.00 O ATOM 2204 CB MET A 145 7.015 3.476 -5.143 1.00 0.00 C ATOM 2205 CG MET A 145 5.685 2.853 -4.831 1.00 0.00 C ATOM 2206 SD MET A 145 5.086 3.139 -3.186 1.00 0.00 S ATOM 2207 CE MET A 145 3.616 2.165 -3.327 1.00 0.00 C ATOM 0 H MET A 145 8.917 4.633 -6.416 1.00 0.00 H new ATOM 0 HA MET A 145 7.640 2.069 -6.606 1.00 0.00 H new ATOM 0 HB2 MET A 145 7.763 3.118 -4.435 1.00 0.00 H new ATOM 0 HB3 MET A 145 6.952 4.557 -5.020 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.949 3.232 -5.540 1.00 0.00 H new ATOM 0 HG3 MET A 145 5.759 1.777 -4.992 1.00 0.00 H new ATOM 0 HE1 MET A 145 3.130 2.096 -2.354 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.937 2.633 -4.039 1.00 0.00 H new ATOM 0 HE3 MET A 145 3.874 1.165 -3.675 1.00 0.00 H new ATOM 2217 N THR A 146 6.322 4.656 -8.116 1.00 0.00 N ATOM 2218 CA THR A 146 5.294 4.996 -9.081 1.00 0.00 C ATOM 2219 C THR A 146 5.722 4.538 -10.493 1.00 0.00 C ATOM 2220 O THR A 146 4.903 4.432 -11.406 1.00 0.00 O ATOM 2221 CB THR A 146 4.954 6.523 -9.059 1.00 0.00 C ATOM 2222 OG1 THR A 146 3.729 6.794 -9.781 1.00 0.00 O ATOM 2223 CG2 THR A 146 6.070 7.319 -9.686 1.00 0.00 C ATOM 0 H THR A 146 6.978 5.406 -7.897 1.00 0.00 H new ATOM 0 HA THR A 146 4.382 4.468 -8.803 1.00 0.00 H new ATOM 0 HB THR A 146 4.829 6.816 -8.016 1.00 0.00 H new ATOM 0 HG1 THR A 146 3.537 7.755 -9.751 1.00 0.00 H new ATOM 0 HG21 THR A 146 5.818 8.379 -9.663 1.00 0.00 H new ATOM 0 HG22 THR A 146 6.992 7.153 -9.130 1.00 0.00 H new ATOM 0 HG23 THR A 146 6.207 7.001 -10.720 1.00 0.00 H new ATOM 2231 N ALA A 147 7.005 4.288 -10.661 1.00 0.00 N ATOM 2232 CA ALA A 147 7.525 3.803 -11.904 1.00 0.00 C ATOM 2233 C ALA A 147 8.144 2.441 -11.696 1.00 0.00 C ATOM 2234 O ALA A 147 9.368 2.299 -11.597 1.00 0.00 O ATOM 2235 CB ALA A 147 8.534 4.775 -12.506 1.00 0.00 C ATOM 0 H ALA A 147 7.709 4.418 -9.934 1.00 0.00 H new ATOM 0 HA ALA A 147 6.702 3.717 -12.614 1.00 0.00 H new ATOM 0 HB1 ALA A 147 8.908 4.374 -13.448 1.00 0.00 H new ATOM 0 HB2 ALA A 147 8.051 5.736 -12.686 1.00 0.00 H new ATOM 0 HB3 ALA A 147 9.366 4.911 -11.814 1.00 0.00 H new ATOM 2241 N LYS A 148 7.308 1.461 -11.539 1.00 0.00 N ATOM 2242 CA LYS A 148 7.763 0.129 -11.360 1.00 0.00 C ATOM 2243 C LYS A 148 6.949 -0.755 -12.252 1.00 0.00 C ATOM 2244 O LYS A 148 7.412 -1.059 -13.364 1.00 0.00 O ATOM 2245 CB LYS A 148 7.657 -0.310 -9.894 1.00 0.00 C ATOM 2246 CG LYS A 148 8.351 -1.640 -9.602 1.00 0.00 C ATOM 2247 CD LYS A 148 8.277 -2.031 -8.126 1.00 0.00 C ATOM 2248 CE LYS A 148 8.884 -0.965 -7.213 1.00 0.00 C ATOM 2249 NZ LYS A 148 10.284 -0.641 -7.557 1.00 0.00 N ATOM 2250 OXT LYS A 148 5.819 -1.077 -11.897 1.00 0.00 O ATOM 0 H LYS A 148 6.294 1.568 -11.532 1.00 0.00 H new ATOM 0 HA LYS A 148 8.818 0.059 -11.624 1.00 0.00 H new ATOM 0 HB2 LYS A 148 8.090 0.463 -9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 148 6.604 -0.392 -9.623 1.00 0.00 H new ATOM 0 HG2 LYS A 148 7.893 -2.424 -10.205 1.00 0.00 H new ATOM 0 HG3 LYS A 148 9.396 -1.574 -9.905 1.00 0.00 H new ATOM 0 HD2 LYS A 148 7.236 -2.195 -7.847 1.00 0.00 H new ATOM 0 HD3 LYS A 148 8.800 -2.976 -7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 148 8.282 -0.058 -7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 148 8.840 -1.311 -6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 10.658 0.049 -6.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 10.859 -1.507 -7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 10.321 -0.236 -8.514 1.00 0.00 H new TER 2264 LYS A 148 ATOM 2265 N SER B 74 11.379 0.749 -12.637 1.00 0.00 N ATOM 2266 CA SER B 74 12.520 0.079 -12.068 1.00 0.00 C ATOM 2267 C SER B 74 13.142 -0.829 -13.127 1.00 0.00 C ATOM 2268 O SER B 74 12.504 -1.103 -14.147 1.00 0.00 O ATOM 2269 CB SER B 74 12.055 -0.735 -10.865 1.00 0.00 C ATOM 2270 OG SER B 74 11.431 0.100 -9.904 1.00 0.00 O ATOM 0 HA SER B 74 13.270 0.800 -11.742 1.00 0.00 H new ATOM 0 HB2 SER B 74 11.358 -1.507 -11.190 1.00 0.00 H new ATOM 0 HB3 SER B 74 12.906 -1.244 -10.413 1.00 0.00 H new ATOM 0 HG SER B 74 12.072 0.320 -9.196 1.00 0.00 H new ATOM 2278 N PRO B 75 14.405 -1.279 -12.940 1.00 0.00 N ATOM 2279 CA PRO B 75 15.040 -2.217 -13.864 1.00 0.00 C ATOM 2280 C PRO B 75 14.274 -3.537 -13.886 1.00 0.00 C ATOM 2281 O PRO B 75 13.843 -3.993 -14.952 1.00 0.00 O ATOM 2282 CB PRO B 75 16.439 -2.416 -13.269 1.00 0.00 C ATOM 2283 CG PRO B 75 16.663 -1.219 -12.415 1.00 0.00 C ATOM 2284 CD PRO B 75 15.325 -0.866 -11.859 1.00 0.00 C ATOM 0 HA PRO B 75 15.064 -1.856 -14.892 1.00 0.00 H new ATOM 0 HB2 PRO B 75 16.493 -3.334 -12.685 1.00 0.00 H new ATOM 0 HB3 PRO B 75 17.194 -2.491 -14.051 1.00 0.00 H new ATOM 0 HG2 PRO B 75 17.374 -1.434 -11.618 1.00 0.00 H new ATOM 0 HG3 PRO B 75 17.076 -0.395 -12.996 1.00 0.00 H new ATOM 0 HD2 PRO B 75 15.120 -1.396 -10.929 1.00 0.00 H new ATOM 0 HD3 PRO B 75 15.244 0.199 -11.643 1.00 0.00 H new ATOM 2292 N ALA B 76 14.113 -4.141 -12.681 1.00 0.00 N ATOM 2293 CA ALA B 76 13.328 -5.374 -12.476 1.00 0.00 C ATOM 2294 C ALA B 76 13.777 -6.484 -13.425 1.00 0.00 C ATOM 2295 O ALA B 76 12.985 -7.331 -13.835 1.00 0.00 O ATOM 2296 CB ALA B 76 11.846 -5.072 -12.666 1.00 0.00 C ATOM 0 H ALA B 76 14.529 -3.780 -11.823 1.00 0.00 H new ATOM 0 HA ALA B 76 13.496 -5.727 -11.459 1.00 0.00 H new ATOM 0 HB1 ALA B 76 11.267 -5.983 -12.515 1.00 0.00 H new ATOM 0 HB2 ALA B 76 11.533 -4.318 -11.944 1.00 0.00 H new ATOM 0 HB3 ALA B 76 11.677 -4.699 -13.676 1.00 0.00 H new ATOM 2302 N ASN B 77 15.067 -6.526 -13.681 1.00 0.00 N ATOM 2303 CA ASN B 77 15.640 -7.425 -14.677 1.00 0.00 C ATOM 2304 C ASN B 77 15.621 -8.882 -14.209 1.00 0.00 C ATOM 2305 O ASN B 77 15.667 -9.803 -15.014 1.00 0.00 O ATOM 2306 CB ASN B 77 17.062 -6.961 -15.043 1.00 0.00 C ATOM 2307 CG ASN B 77 17.663 -7.716 -16.215 1.00 0.00 C ATOM 2308 OD1 ASN B 77 18.351 -8.719 -16.044 1.00 0.00 O ATOM 2309 ND2 ASN B 77 17.405 -7.245 -17.409 1.00 0.00 N ATOM 0 H ASN B 77 15.754 -5.940 -13.207 1.00 0.00 H new ATOM 0 HA ASN B 77 15.021 -7.384 -15.573 1.00 0.00 H new ATOM 0 HB2 ASN B 77 17.039 -5.897 -15.280 1.00 0.00 H new ATOM 0 HB3 ASN B 77 17.709 -7.080 -14.174 1.00 0.00 H new ATOM 0 HD21 ASN B 77 17.779 -7.714 -18.234 1.00 0.00 H new ATOM 0 HD22 ASN B 77 16.830 -6.409 -17.514 1.00 0.00 H new ATOM 2316 N SER B 78 15.508 -9.081 -12.914 1.00 0.00 N ATOM 2317 CA SER B 78 15.452 -10.409 -12.347 1.00 0.00 C ATOM 2318 C SER B 78 13.979 -10.847 -12.185 1.00 0.00 C ATOM 2319 O SER B 78 13.695 -11.968 -11.770 1.00 0.00 O ATOM 2320 CB SER B 78 16.199 -10.430 -10.999 1.00 0.00 C ATOM 2321 OG SER B 78 16.327 -11.742 -10.469 1.00 0.00 O ATOM 0 H SER B 78 15.453 -8.329 -12.227 1.00 0.00 H new ATOM 0 HA SER B 78 15.941 -11.117 -13.016 1.00 0.00 H new ATOM 0 HB2 SER B 78 17.190 -9.996 -11.130 1.00 0.00 H new ATOM 0 HB3 SER B 78 15.668 -9.802 -10.283 1.00 0.00 H new ATOM 0 HG SER B 78 15.518 -12.257 -10.672 1.00 0.00 H new ATOM 2327 N PHE B 79 13.058 -9.933 -12.520 1.00 0.00 N ATOM 2328 CA PHE B 79 11.601 -10.158 -12.507 1.00 0.00 C ATOM 2329 C PHE B 79 10.984 -10.408 -11.114 1.00 0.00 C ATOM 2330 O PHE B 79 10.219 -9.574 -10.641 1.00 0.00 O ATOM 2331 CB PHE B 79 11.162 -11.197 -13.551 1.00 0.00 C ATOM 2332 CG PHE B 79 11.330 -10.725 -14.972 1.00 0.00 C ATOM 2333 CD1 PHE B 79 12.553 -10.823 -15.616 1.00 0.00 C ATOM 2334 CD2 PHE B 79 10.261 -10.181 -15.662 1.00 0.00 C ATOM 2335 CE1 PHE B 79 12.705 -10.383 -16.916 1.00 0.00 C ATOM 2336 CE2 PHE B 79 10.407 -9.742 -16.963 1.00 0.00 C ATOM 2337 CZ PHE B 79 11.631 -9.843 -17.591 1.00 0.00 C ATOM 0 H PHE B 79 13.310 -8.990 -12.816 1.00 0.00 H new ATOM 0 HA PHE B 79 11.177 -9.199 -12.807 1.00 0.00 H new ATOM 0 HB2 PHE B 79 11.739 -12.111 -13.409 1.00 0.00 H new ATOM 0 HB3 PHE B 79 10.116 -11.452 -13.382 1.00 0.00 H new ATOM 0 HD1 PHE B 79 13.398 -11.249 -15.095 1.00 0.00 H new ATOM 0 HD2 PHE B 79 9.300 -10.099 -15.177 1.00 0.00 H new ATOM 0 HE1 PHE B 79 13.665 -10.462 -17.404 1.00 0.00 H new ATOM 0 HE2 PHE B 79 9.563 -9.320 -17.489 1.00 0.00 H new ATOM 0 HZ PHE B 79 11.748 -9.500 -18.608 1.00 0.00 H new ATOM 2347 N HIS B 80 11.337 -11.510 -10.432 1.00 0.00 N ATOM 2348 CA HIS B 80 10.738 -11.806 -9.095 1.00 0.00 C ATOM 2349 C HIS B 80 11.078 -10.738 -8.057 1.00 0.00 C ATOM 2350 O HIS B 80 10.379 -10.588 -7.052 1.00 0.00 O ATOM 2351 CB HIS B 80 11.090 -13.199 -8.544 1.00 0.00 C ATOM 2352 CG HIS B 80 10.444 -14.360 -9.252 1.00 0.00 C ATOM 2353 ND1 HIS B 80 9.093 -14.450 -9.483 1.00 0.00 N ATOM 2354 CD2 HIS B 80 10.972 -15.492 -9.753 1.00 0.00 C ATOM 2355 CE1 HIS B 80 8.823 -15.578 -10.085 1.00 0.00 C ATOM 2356 NE2 HIS B 80 9.940 -16.230 -10.265 1.00 0.00 N ATOM 0 H HIS B 80 12.013 -12.200 -10.761 1.00 0.00 H new ATOM 0 HA HIS B 80 9.663 -11.796 -9.275 1.00 0.00 H new ATOM 0 HB2 HIS B 80 12.172 -13.325 -8.589 1.00 0.00 H new ATOM 0 HB3 HIS B 80 10.808 -13.236 -7.492 1.00 0.00 H new ATOM 0 HD1 HIS B 80 8.405 -13.743 -9.224 1.00 0.00 H new ATOM 0 HD2 HIS B 80 12.016 -15.767 -9.751 1.00 0.00 H new ATOM 0 HE1 HIS B 80 7.841 -15.914 -10.383 1.00 0.00 H new ATOM 2365 N PHE B 81 12.139 -10.000 -8.312 1.00 0.00 N ATOM 2366 CA PHE B 81 12.551 -8.885 -7.467 1.00 0.00 C ATOM 2367 C PHE B 81 11.501 -7.767 -7.479 1.00 0.00 C ATOM 2368 O PHE B 81 11.307 -7.063 -6.492 1.00 0.00 O ATOM 2369 CB PHE B 81 13.905 -8.348 -7.938 1.00 0.00 C ATOM 2370 CG PHE B 81 14.341 -7.090 -7.239 1.00 0.00 C ATOM 2371 CD1 PHE B 81 14.742 -7.116 -5.918 1.00 0.00 C ATOM 2372 CD2 PHE B 81 14.337 -5.879 -7.913 1.00 0.00 C ATOM 2373 CE1 PHE B 81 15.129 -5.961 -5.283 1.00 0.00 C ATOM 2374 CE2 PHE B 81 14.726 -4.725 -7.284 1.00 0.00 C ATOM 2375 CZ PHE B 81 15.122 -4.763 -5.969 1.00 0.00 C ATOM 0 H PHE B 81 12.748 -10.154 -9.116 1.00 0.00 H new ATOM 0 HA PHE B 81 12.646 -9.246 -6.443 1.00 0.00 H new ATOM 0 HB2 PHE B 81 14.662 -9.117 -7.786 1.00 0.00 H new ATOM 0 HB3 PHE B 81 13.856 -8.157 -9.010 1.00 0.00 H new ATOM 0 HD1 PHE B 81 14.751 -8.052 -5.380 1.00 0.00 H new ATOM 0 HD2 PHE B 81 14.024 -5.844 -8.946 1.00 0.00 H new ATOM 0 HE1 PHE B 81 15.438 -5.990 -4.249 1.00 0.00 H new ATOM 0 HE2 PHE B 81 14.721 -3.788 -7.821 1.00 0.00 H new ATOM 0 HZ PHE B 81 15.428 -3.855 -5.471 1.00 0.00 H new ATOM 2385 N LYS B 82 10.801 -7.638 -8.575 1.00 0.00 N ATOM 2386 CA LYS B 82 9.791 -6.616 -8.704 1.00 0.00 C ATOM 2387 C LYS B 82 8.611 -6.979 -7.796 1.00 0.00 C ATOM 2388 O LYS B 82 8.009 -6.113 -7.133 1.00 0.00 O ATOM 2389 CB LYS B 82 9.363 -6.524 -10.158 1.00 0.00 C ATOM 2390 CG LYS B 82 8.448 -5.375 -10.477 1.00 0.00 C ATOM 2391 CD LYS B 82 8.045 -5.420 -11.928 1.00 0.00 C ATOM 2392 CE LYS B 82 7.074 -4.326 -12.254 1.00 0.00 C ATOM 2393 NZ LYS B 82 6.629 -4.395 -13.645 1.00 0.00 N ATOM 0 H LYS B 82 10.911 -8.231 -9.397 1.00 0.00 H new ATOM 0 HA LYS B 82 10.178 -5.643 -8.401 1.00 0.00 H new ATOM 0 HB2 LYS B 82 10.255 -6.443 -10.780 1.00 0.00 H new ATOM 0 HB3 LYS B 82 8.865 -7.453 -10.435 1.00 0.00 H new ATOM 0 HG2 LYS B 82 7.562 -5.420 -9.844 1.00 0.00 H new ATOM 0 HG3 LYS B 82 8.948 -4.431 -10.260 1.00 0.00 H new ATOM 0 HD2 LYS B 82 8.930 -5.324 -12.557 1.00 0.00 H new ATOM 0 HD3 LYS B 82 7.597 -6.387 -12.154 1.00 0.00 H new ATOM 0 HE2 LYS B 82 6.211 -4.396 -11.592 1.00 0.00 H new ATOM 0 HE3 LYS B 82 7.540 -3.358 -12.069 1.00 0.00 H new ATOM 0 HZ1 LYS B 82 5.729 -3.883 -13.748 1.00 0.00 H new ATOM 0 HZ2 LYS B 82 7.346 -3.961 -14.261 1.00 0.00 H new ATOM 0 HZ3 LYS B 82 6.494 -5.390 -13.917 1.00 0.00 H new ATOM 2407 N GLU B 83 8.352 -8.284 -7.707 1.00 0.00 N ATOM 2408 CA GLU B 83 7.317 -8.819 -6.855 1.00 0.00 C ATOM 2409 C GLU B 83 7.724 -8.700 -5.407 1.00 0.00 C ATOM 2410 O GLU B 83 6.883 -8.676 -4.534 1.00 0.00 O ATOM 2411 CB GLU B 83 7.055 -10.271 -7.176 1.00 0.00 C ATOM 2412 CG GLU B 83 6.518 -10.513 -8.561 1.00 0.00 C ATOM 2413 CD GLU B 83 6.390 -11.967 -8.847 1.00 0.00 C ATOM 2414 OE1 GLU B 83 5.327 -12.568 -8.558 1.00 0.00 O ATOM 2415 OE2 GLU B 83 7.355 -12.553 -9.352 1.00 0.00 O ATOM 0 H GLU B 83 8.863 -8.994 -8.231 1.00 0.00 H new ATOM 0 HA GLU B 83 6.407 -8.246 -7.031 1.00 0.00 H new ATOM 0 HB2 GLU B 83 7.983 -10.830 -7.056 1.00 0.00 H new ATOM 0 HB3 GLU B 83 6.346 -10.669 -6.450 1.00 0.00 H new ATOM 0 HG2 GLU B 83 5.545 -10.033 -8.664 1.00 0.00 H new ATOM 0 HG3 GLU B 83 7.180 -10.053 -9.295 1.00 0.00 H new ATOM 2422 N ALA B 84 9.021 -8.602 -5.165 1.00 0.00 N ATOM 2423 CA ALA B 84 9.535 -8.446 -3.823 1.00 0.00 C ATOM 2424 C ALA B 84 9.068 -7.117 -3.248 1.00 0.00 C ATOM 2425 O ALA B 84 8.597 -7.061 -2.119 1.00 0.00 O ATOM 2426 CB ALA B 84 11.051 -8.567 -3.796 1.00 0.00 C ATOM 0 H ALA B 84 9.738 -8.629 -5.890 1.00 0.00 H new ATOM 0 HA ALA B 84 9.144 -9.249 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA B 84 11.408 -8.445 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA B 84 11.344 -9.549 -4.168 1.00 0.00 H new ATOM 0 HB3 ALA B 84 11.489 -7.794 -4.427 1.00 0.00 H new ATOM 2432 N TRP B 85 9.152 -6.055 -4.049 1.00 0.00 N ATOM 2433 CA TRP B 85 8.642 -4.765 -3.635 1.00 0.00 C ATOM 2434 C TRP B 85 7.133 -4.762 -3.604 1.00 0.00 C ATOM 2435 O TRP B 85 6.539 -4.135 -2.736 1.00 0.00 O ATOM 2436 CB TRP B 85 9.147 -3.624 -4.509 1.00 0.00 C ATOM 2437 CG TRP B 85 10.464 -3.065 -4.086 1.00 0.00 C ATOM 2438 CD1 TRP B 85 11.672 -3.242 -4.681 1.00 0.00 C ATOM 2439 CD2 TRP B 85 10.698 -2.223 -2.952 1.00 0.00 C ATOM 2440 NE1 TRP B 85 12.634 -2.540 -4.006 1.00 0.00 N ATOM 2441 CE2 TRP B 85 12.063 -1.914 -2.935 1.00 0.00 C ATOM 2442 CE3 TRP B 85 9.876 -1.696 -1.950 1.00 0.00 C ATOM 2443 CZ2 TRP B 85 12.632 -1.102 -1.961 1.00 0.00 C ATOM 2444 CZ3 TRP B 85 10.444 -0.893 -0.984 1.00 0.00 C ATOM 2445 CH2 TRP B 85 11.810 -0.605 -0.998 1.00 0.00 C ATOM 0 H TRP B 85 9.567 -6.070 -4.981 1.00 0.00 H new ATOM 0 HA TRP B 85 9.022 -4.597 -2.627 1.00 0.00 H new ATOM 0 HB2 TRP B 85 9.228 -3.978 -5.537 1.00 0.00 H new ATOM 0 HB3 TRP B 85 8.407 -2.824 -4.505 1.00 0.00 H new ATOM 0 HD1 TRP B 85 11.848 -3.848 -5.558 1.00 0.00 H new ATOM 0 HE1 TRP B 85 13.620 -2.492 -4.262 1.00 0.00 H new ATOM 0 HE3 TRP B 85 8.818 -1.914 -1.934 1.00 0.00 H new ATOM 0 HZ2 TRP B 85 13.688 -0.874 -1.969 1.00 0.00 H new ATOM 0 HZ3 TRP B 85 9.822 -0.480 -0.204 1.00 0.00 H new ATOM 0 HH2 TRP B 85 12.224 0.027 -0.226 1.00 0.00 H new ATOM 2456 N LYS B 86 6.521 -5.473 -4.552 1.00 0.00 N ATOM 2457 CA LYS B 86 5.060 -5.596 -4.626 1.00 0.00 C ATOM 2458 C LYS B 86 4.574 -6.168 -3.304 1.00 0.00 C ATOM 2459 O LYS B 86 3.748 -5.583 -2.611 1.00 0.00 O ATOM 2460 CB LYS B 86 4.687 -6.570 -5.754 1.00 0.00 C ATOM 2461 CG LYS B 86 3.210 -6.554 -6.183 1.00 0.00 C ATOM 2462 CD LYS B 86 2.803 -5.219 -6.815 1.00 0.00 C ATOM 2463 CE LYS B 86 3.462 -4.979 -8.185 1.00 0.00 C ATOM 2464 NZ LYS B 86 2.933 -5.874 -9.254 1.00 0.00 N ATOM 0 H LYS B 86 7.018 -5.977 -5.286 1.00 0.00 H new ATOM 0 HA LYS B 86 4.606 -4.624 -4.821 1.00 0.00 H new ATOM 0 HB2 LYS B 86 5.302 -6.343 -6.625 1.00 0.00 H new ATOM 0 HB3 LYS B 86 4.944 -7.581 -5.437 1.00 0.00 H new ATOM 0 HG2 LYS B 86 3.032 -7.360 -6.895 1.00 0.00 H new ATOM 0 HG3 LYS B 86 2.580 -6.750 -5.316 1.00 0.00 H new ATOM 0 HD2 LYS B 86 1.719 -5.192 -6.929 1.00 0.00 H new ATOM 0 HD3 LYS B 86 3.073 -4.406 -6.140 1.00 0.00 H new ATOM 0 HE2 LYS B 86 3.307 -3.941 -8.479 1.00 0.00 H new ATOM 0 HE3 LYS B 86 4.538 -5.127 -8.095 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 2.989 -5.389 -10.172 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 3.498 -6.746 -9.288 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 1.942 -6.112 -9.048 1.00 0.00 H new ATOM 2478 N HIS B 87 5.165 -7.290 -2.969 1.00 0.00 N ATOM 2479 CA HIS B 87 4.912 -8.030 -1.737 1.00 0.00 C ATOM 2480 C HIS B 87 5.218 -7.170 -0.503 1.00 0.00 C ATOM 2481 O HIS B 87 4.429 -7.142 0.437 1.00 0.00 O ATOM 2482 CB HIS B 87 5.774 -9.315 -1.735 1.00 0.00 C ATOM 2483 CG HIS B 87 5.593 -10.235 -0.560 1.00 0.00 C ATOM 2484 ND1 HIS B 87 4.793 -11.344 -0.598 1.00 0.00 N ATOM 2485 CD2 HIS B 87 6.156 -10.232 0.671 1.00 0.00 C ATOM 2486 CE1 HIS B 87 4.865 -11.978 0.538 1.00 0.00 C ATOM 2487 NE2 HIS B 87 5.685 -11.325 1.326 1.00 0.00 N ATOM 0 H HIS B 87 5.863 -7.737 -3.564 1.00 0.00 H new ATOM 0 HA HIS B 87 3.857 -8.299 -1.693 1.00 0.00 H new ATOM 0 HB2 HIS B 87 5.556 -9.875 -2.645 1.00 0.00 H new ATOM 0 HB3 HIS B 87 6.823 -9.024 -1.783 1.00 0.00 H new ATOM 0 HD2 HIS B 87 6.848 -9.500 1.059 1.00 0.00 H new ATOM 0 HE1 HIS B 87 4.339 -12.887 0.788 1.00 0.00 H new ATOM 0 HE2 HIS B 87 5.930 -11.595 2.279 1.00 0.00 H new ATOM 2496 N ALA B 88 6.371 -6.487 -0.516 1.00 0.00 N ATOM 2497 CA ALA B 88 6.791 -5.642 0.604 1.00 0.00 C ATOM 2498 C ALA B 88 5.783 -4.560 0.874 1.00 0.00 C ATOM 2499 O ALA B 88 5.262 -4.474 1.974 1.00 0.00 O ATOM 2500 CB ALA B 88 8.154 -5.011 0.354 1.00 0.00 C ATOM 0 H ALA B 88 7.030 -6.505 -1.294 1.00 0.00 H new ATOM 0 HA ALA B 88 6.863 -6.291 1.477 1.00 0.00 H new ATOM 0 HB1 ALA B 88 8.430 -4.392 1.207 1.00 0.00 H new ATOM 0 HB2 ALA B 88 8.899 -5.795 0.219 1.00 0.00 H new ATOM 0 HB3 ALA B 88 8.110 -4.394 -0.543 1.00 0.00 H new ATOM 2506 N ILE B 89 5.478 -3.764 -0.148 1.00 0.00 N ATOM 2507 CA ILE B 89 4.546 -2.660 0.000 1.00 0.00 C ATOM 2508 C ILE B 89 3.191 -3.174 0.434 1.00 0.00 C ATOM 2509 O ILE B 89 2.629 -2.675 1.365 1.00 0.00 O ATOM 2510 CB ILE B 89 4.378 -1.823 -1.299 1.00 0.00 C ATOM 2511 CG1 ILE B 89 5.727 -1.242 -1.783 1.00 0.00 C ATOM 2512 CG2 ILE B 89 3.360 -0.705 -1.078 1.00 0.00 C ATOM 2513 CD1 ILE B 89 6.408 -0.311 -0.800 1.00 0.00 C ATOM 0 H ILE B 89 5.865 -3.867 -1.086 1.00 0.00 H new ATOM 0 HA ILE B 89 4.969 -2.004 0.761 1.00 0.00 H new ATOM 0 HB ILE B 89 4.010 -2.489 -2.080 1.00 0.00 H new ATOM 0 HG12 ILE B 89 6.402 -2.068 -2.007 1.00 0.00 H new ATOM 0 HG13 ILE B 89 5.561 -0.704 -2.716 1.00 0.00 H new ATOM 0 HG21 ILE B 89 3.251 -0.126 -1.995 1.00 0.00 H new ATOM 0 HG22 ILE B 89 2.397 -1.138 -0.806 1.00 0.00 H new ATOM 0 HG23 ILE B 89 3.704 -0.053 -0.276 1.00 0.00 H new ATOM 0 HD11 ILE B 89 7.345 0.046 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE B 89 5.757 0.538 -0.593 1.00 0.00 H new ATOM 0 HD13 ILE B 89 6.612 -0.847 0.127 1.00 0.00 H new ATOM 2525 N GLN B 90 2.719 -4.203 -0.229 1.00 0.00 N ATOM 2526 CA GLN B 90 1.428 -4.816 0.060 1.00 0.00 C ATOM 2527 C GLN B 90 1.303 -5.238 1.537 1.00 0.00 C ATOM 2528 O GLN B 90 0.353 -4.841 2.230 1.00 0.00 O ATOM 2529 CB GLN B 90 1.247 -5.999 -0.875 1.00 0.00 C ATOM 2530 CG GLN B 90 0.068 -6.894 -0.597 1.00 0.00 C ATOM 2531 CD GLN B 90 -0.036 -8.002 -1.620 1.00 0.00 C ATOM 2532 OE1 GLN B 90 0.282 -7.708 -2.861 1.00 0.00 O flip ATOM 2533 NE2 GLN B 90 -0.455 -9.112 -1.304 1.00 0.00 N flip ATOM 0 H GLN B 90 3.221 -4.650 -0.996 1.00 0.00 H new ATOM 0 HA GLN B 90 0.636 -4.085 -0.107 1.00 0.00 H new ATOM 0 HB2 GLN B 90 1.156 -5.620 -1.893 1.00 0.00 H new ATOM 0 HB3 GLN B 90 2.152 -6.605 -0.840 1.00 0.00 H new ATOM 0 HG2 GLN B 90 0.163 -7.325 0.400 1.00 0.00 H new ATOM 0 HG3 GLN B 90 -0.848 -6.304 -0.603 1.00 0.00 H new ATOM 0 HE21 GLN B 90 -0.693 -9.309 -0.332 1.00 0.00 H new ATOM 0 HE22 GLN B 90 -0.565 -9.837 -2.013 1.00 0.00 H new ATOM 2542 N LYS B 91 2.280 -5.988 2.019 1.00 0.00 N ATOM 2543 CA LYS B 91 2.268 -6.486 3.388 1.00 0.00 C ATOM 2544 C LYS B 91 2.477 -5.356 4.400 1.00 0.00 C ATOM 2545 O LYS B 91 1.873 -5.346 5.482 1.00 0.00 O ATOM 2546 CB LYS B 91 3.324 -7.606 3.557 1.00 0.00 C ATOM 2547 CG LYS B 91 3.448 -8.183 4.969 1.00 0.00 C ATOM 2548 CD LYS B 91 2.105 -8.648 5.509 1.00 0.00 C ATOM 2549 CE LYS B 91 2.234 -9.286 6.880 1.00 0.00 C ATOM 2550 NZ LYS B 91 2.810 -10.643 6.816 1.00 0.00 N ATOM 0 H LYS B 91 3.099 -6.268 1.479 1.00 0.00 H new ATOM 0 HA LYS B 91 1.284 -6.910 3.590 1.00 0.00 H new ATOM 0 HB2 LYS B 91 3.081 -8.418 2.871 1.00 0.00 H new ATOM 0 HB3 LYS B 91 4.296 -7.214 3.256 1.00 0.00 H new ATOM 0 HG2 LYS B 91 4.146 -9.021 4.959 1.00 0.00 H new ATOM 0 HG3 LYS B 91 3.866 -7.428 5.635 1.00 0.00 H new ATOM 0 HD2 LYS B 91 1.424 -7.799 5.567 1.00 0.00 H new ATOM 0 HD3 LYS B 91 1.664 -9.364 4.816 1.00 0.00 H new ATOM 0 HE2 LYS B 91 2.861 -8.658 7.513 1.00 0.00 H new ATOM 0 HE3 LYS B 91 1.252 -9.333 7.350 1.00 0.00 H new ATOM 0 HZ1 LYS B 91 3.433 -10.795 7.635 1.00 0.00 H new ATOM 0 HZ2 LYS B 91 2.044 -11.346 6.829 1.00 0.00 H new ATOM 0 HZ3 LYS B 91 3.359 -10.746 5.939 1.00 0.00 H new ATOM 2564 N ALA B 92 3.292 -4.410 4.036 1.00 0.00 N ATOM 2565 CA ALA B 92 3.616 -3.311 4.904 1.00 0.00 C ATOM 2566 C ALA B 92 2.494 -2.254 4.951 1.00 0.00 C ATOM 2567 O ALA B 92 2.250 -1.656 5.998 1.00 0.00 O ATOM 2568 CB ALA B 92 4.934 -2.705 4.473 1.00 0.00 C ATOM 0 H ALA B 92 3.753 -4.377 3.127 1.00 0.00 H new ATOM 0 HA ALA B 92 3.713 -3.692 5.921 1.00 0.00 H new ATOM 0 HB1 ALA B 92 5.183 -1.871 5.129 1.00 0.00 H new ATOM 0 HB2 ALA B 92 5.718 -3.460 4.532 1.00 0.00 H new ATOM 0 HB3 ALA B 92 4.852 -2.347 3.447 1.00 0.00 H new ATOM 2574 N LYS B 93 1.810 -2.064 3.819 1.00 0.00 N ATOM 2575 CA LYS B 93 0.718 -1.086 3.656 1.00 0.00 C ATOM 2576 C LYS B 93 -0.322 -1.299 4.757 1.00 0.00 C ATOM 2577 O LYS B 93 -0.700 -0.343 5.438 1.00 0.00 O ATOM 2578 CB LYS B 93 0.140 -1.230 2.216 1.00 0.00 C ATOM 2579 CG LYS B 93 -0.822 -0.148 1.698 1.00 0.00 C ATOM 2580 CD LYS B 93 -2.265 -0.409 2.076 1.00 0.00 C ATOM 2581 CE LYS B 93 -3.216 0.509 1.302 1.00 0.00 C ATOM 2582 NZ LYS B 93 -3.099 1.933 1.681 1.00 0.00 N ATOM 0 H LYS B 93 2.000 -2.595 2.969 1.00 0.00 H new ATOM 0 HA LYS B 93 1.074 -0.061 3.763 1.00 0.00 H new ATOM 0 HB2 LYS B 93 0.981 -1.283 1.525 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -0.378 -2.187 2.161 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -0.518 0.821 2.094 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -0.742 -0.088 0.613 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -2.514 -1.450 1.872 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -2.397 -0.254 3.147 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -3.018 0.408 0.235 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -4.242 0.180 1.468 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -3.694 2.510 1.052 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -3.413 2.057 2.665 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -2.108 2.235 1.593 1.00 0.00 H new ATOM 2596 N HIS B 94 -0.731 -2.574 4.937 1.00 0.00 N ATOM 2597 CA HIS B 94 -1.582 -3.023 6.069 1.00 0.00 C ATOM 2598 C HIS B 94 -2.793 -2.098 6.319 1.00 0.00 C ATOM 2599 O HIS B 94 -2.840 -1.368 7.309 1.00 0.00 O ATOM 2600 CB HIS B 94 -0.690 -3.160 7.335 1.00 0.00 C ATOM 2601 CG HIS B 94 -1.362 -3.626 8.604 1.00 0.00 C ATOM 2602 ND1 HIS B 94 -1.739 -2.768 9.609 1.00 0.00 N ATOM 2603 CD2 HIS B 94 -1.664 -4.862 9.045 1.00 0.00 C ATOM 2604 CE1 HIS B 94 -2.236 -3.452 10.608 1.00 0.00 C ATOM 2605 NE2 HIS B 94 -2.207 -4.729 10.297 1.00 0.00 N ATOM 0 H HIS B 94 -0.480 -3.328 4.298 1.00 0.00 H new ATOM 0 HA HIS B 94 -2.013 -3.991 5.814 1.00 0.00 H new ATOM 0 HB2 HIS B 94 0.118 -3.855 7.106 1.00 0.00 H new ATOM 0 HB3 HIS B 94 -0.231 -2.191 7.532 1.00 0.00 H new ATOM 0 HD2 HIS B 94 -1.507 -5.788 8.511 1.00 0.00 H new ATOM 0 HE1 HIS B 94 -2.608 -3.037 11.533 1.00 0.00 H new ATOM 0 HE2 HIS B 94 -2.534 -5.493 10.888 1.00 0.00 H new ATOM 2614 N MET B 95 -3.734 -2.108 5.407 1.00 0.00 N ATOM 2615 CA MET B 95 -4.926 -1.263 5.492 1.00 0.00 C ATOM 2616 C MET B 95 -6.052 -1.985 4.795 1.00 0.00 C ATOM 2617 O MET B 95 -5.779 -2.833 3.946 1.00 0.00 O ATOM 2618 CB MET B 95 -4.688 0.115 4.817 1.00 0.00 C ATOM 2619 CG MET B 95 -3.670 1.006 5.519 1.00 0.00 C ATOM 2620 SD MET B 95 -3.329 2.528 4.623 1.00 0.00 S ATOM 2621 CE MET B 95 -2.117 3.272 5.714 1.00 0.00 C ATOM 0 H MET B 95 -3.706 -2.701 4.577 1.00 0.00 H new ATOM 0 HA MET B 95 -5.168 -1.078 6.539 1.00 0.00 H new ATOM 0 HB2 MET B 95 -4.358 -0.051 3.792 1.00 0.00 H new ATOM 0 HB3 MET B 95 -5.638 0.646 4.764 1.00 0.00 H new ATOM 0 HG2 MET B 95 -4.037 1.252 6.515 1.00 0.00 H new ATOM 0 HG3 MET B 95 -2.740 0.452 5.650 1.00 0.00 H new ATOM 0 HE1 MET B 95 -2.047 4.340 5.506 1.00 0.00 H new ATOM 0 HE2 MET B 95 -2.421 3.124 6.750 1.00 0.00 H new ATOM 0 HE3 MET B 95 -1.145 2.806 5.550 1.00 0.00 H new ATOM 2631 N PRO B 96 -7.327 -1.678 5.127 1.00 0.00 N ATOM 2632 CA PRO B 96 -8.485 -2.334 4.501 1.00 0.00 C ATOM 2633 C PRO B 96 -8.750 -1.836 3.072 1.00 0.00 C ATOM 2634 O PRO B 96 -9.645 -2.328 2.386 1.00 0.00 O ATOM 2635 CB PRO B 96 -9.652 -1.970 5.427 1.00 0.00 C ATOM 2636 CG PRO B 96 -9.249 -0.683 6.062 1.00 0.00 C ATOM 2637 CD PRO B 96 -7.747 -0.716 6.179 1.00 0.00 C ATOM 0 HA PRO B 96 -8.329 -3.408 4.395 1.00 0.00 H new ATOM 0 HB2 PRO B 96 -10.581 -1.861 4.868 1.00 0.00 H new ATOM 0 HB3 PRO B 96 -9.819 -2.745 6.175 1.00 0.00 H new ATOM 0 HG2 PRO B 96 -9.573 0.165 5.459 1.00 0.00 H new ATOM 0 HG3 PRO B 96 -9.712 -0.572 7.042 1.00 0.00 H new ATOM 0 HD2 PRO B 96 -7.312 0.270 6.015 1.00 0.00 H new ATOM 0 HD3 PRO B 96 -7.431 -1.044 7.169 1.00 0.00 H new ATOM 2645 N ASP B 97 -7.970 -0.861 2.650 1.00 0.00 N ATOM 2646 CA ASP B 97 -8.064 -0.301 1.308 1.00 0.00 C ATOM 2647 C ASP B 97 -7.455 -1.261 0.296 1.00 0.00 C ATOM 2648 O ASP B 97 -6.297 -1.672 0.455 1.00 0.00 O ATOM 2649 CB ASP B 97 -7.354 1.054 1.238 1.00 0.00 C ATOM 2650 CG ASP B 97 -7.298 1.623 -0.170 1.00 0.00 C ATOM 2651 OD1 ASP B 97 -8.358 1.916 -0.764 1.00 0.00 O ATOM 2652 OD2 ASP B 97 -6.186 1.845 -0.691 1.00 0.00 O ATOM 0 H ASP B 97 -7.248 -0.430 3.228 1.00 0.00 H new ATOM 0 HA ASP B 97 -9.117 -0.153 1.069 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -7.867 1.761 1.890 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -6.339 0.946 1.621 1.00 0.00 H new ATOM 2657 N PRO B 98 -8.230 -1.656 -0.736 1.00 0.00 N ATOM 2658 CA PRO B 98 -7.780 -2.591 -1.759 1.00 0.00 C ATOM 2659 C PRO B 98 -6.538 -2.114 -2.506 1.00 0.00 C ATOM 2660 O PRO B 98 -6.530 -1.048 -3.160 1.00 0.00 O ATOM 2661 CB PRO B 98 -8.965 -2.699 -2.719 1.00 0.00 C ATOM 2662 CG PRO B 98 -10.135 -2.260 -1.924 1.00 0.00 C ATOM 2663 CD PRO B 98 -9.614 -1.223 -0.982 1.00 0.00 C ATOM 0 HA PRO B 98 -7.490 -3.542 -1.312 1.00 0.00 H new ATOM 0 HB2 PRO B 98 -8.823 -2.068 -3.596 1.00 0.00 H new ATOM 0 HB3 PRO B 98 -9.091 -3.720 -3.079 1.00 0.00 H new ATOM 0 HG2 PRO B 98 -10.914 -1.850 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO B 98 -10.576 -3.096 -1.382 1.00 0.00 H new ATOM 0 HD2 PRO B 98 -9.652 -0.226 -1.420 1.00 0.00 H new ATOM 0 HD3 PRO B 98 -10.195 -1.188 -0.060 1.00 0.00 H new ATOM 2671 N TRP B 99 -5.517 -2.905 -2.392 1.00 0.00 N ATOM 2672 CA TRP B 99 -4.259 -2.695 -3.025 1.00 0.00 C ATOM 2673 C TRP B 99 -4.021 -3.901 -3.929 1.00 0.00 C ATOM 2674 O TRP B 99 -4.735 -4.896 -3.801 1.00 0.00 O ATOM 2675 CB TRP B 99 -3.156 -2.584 -1.929 1.00 0.00 C ATOM 2676 CG TRP B 99 -1.757 -2.429 -2.458 1.00 0.00 C ATOM 2677 CD1 TRP B 99 -0.807 -3.403 -2.547 1.00 0.00 C ATOM 2678 CD2 TRP B 99 -1.165 -1.245 -2.989 1.00 0.00 C ATOM 2679 NE1 TRP B 99 0.331 -2.899 -3.111 1.00 0.00 N ATOM 2680 CE2 TRP B 99 0.141 -1.576 -3.392 1.00 0.00 C ATOM 2681 CE3 TRP B 99 -1.614 0.059 -3.168 1.00 0.00 C ATOM 2682 CZ2 TRP B 99 1.001 -0.647 -3.964 1.00 0.00 C ATOM 2683 CZ3 TRP B 99 -0.763 0.983 -3.735 1.00 0.00 C ATOM 2684 CH2 TRP B 99 0.529 0.626 -4.129 1.00 0.00 C ATOM 0 H TRP B 99 -5.543 -3.754 -1.827 1.00 0.00 H new ATOM 0 HA TRP B 99 -4.238 -1.777 -3.613 1.00 0.00 H new ATOM 0 HB2 TRP B 99 -3.384 -1.732 -1.289 1.00 0.00 H new ATOM 0 HB3 TRP B 99 -3.196 -3.474 -1.301 1.00 0.00 H new ATOM 0 HD1 TRP B 99 -0.935 -4.424 -2.219 1.00 0.00 H new ATOM 0 HE1 TRP B 99 1.185 -3.426 -3.293 1.00 0.00 H new ATOM 0 HE3 TRP B 99 -2.612 0.343 -2.868 1.00 0.00 H new ATOM 0 HZ2 TRP B 99 2.002 -0.919 -4.266 1.00 0.00 H new ATOM 0 HZ3 TRP B 99 -1.100 1.999 -3.877 1.00 0.00 H new ATOM 0 HH2 TRP B 99 1.170 1.373 -4.574 1.00 0.00 H new ATOM 2695 N ALA B 100 -3.112 -3.788 -4.858 1.00 0.00 N ATOM 2696 CA ALA B 100 -2.711 -4.880 -5.683 1.00 0.00 C ATOM 2697 C ALA B 100 -1.212 -4.755 -5.934 1.00 0.00 C ATOM 2698 O ALA B 100 -0.423 -5.397 -5.207 1.00 0.00 O ATOM 2699 CB ALA B 100 -3.503 -4.900 -6.990 1.00 0.00 C ATOM 2700 OXT ALA B 100 -0.822 -3.981 -6.836 1.00 0.00 O ATOM 0 H ALA B 100 -2.624 -2.916 -5.062 1.00 0.00 H new ATOM 0 HA ALA B 100 -2.919 -5.826 -5.183 1.00 0.00 H new ATOM 0 HB1 ALA B 100 -3.177 -5.743 -7.600 1.00 0.00 H new ATOM 0 HB2 ALA B 100 -4.566 -5.001 -6.770 1.00 0.00 H new ATOM 0 HB3 ALA B 100 -3.332 -3.971 -7.534 1.00 0.00 H new TER 2706 ALA B 100 HETATM 2707 CA CA A 501 -12.176 -15.022 -6.578 1.00 0.00 CA HETATM 2708 CA CA A 502 -18.625 -5.675 -9.248 1.00 0.00 CA