USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1088 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 SER OG : rot -35:sc= 1.22 USER MOD Set 1.2: A 21 THR OG1 : rot -88:sc= 1.73 USER MOD Set 1.3: B 133 LYS NZ :NH3+ -165:sc= 0.782 (180deg=0) USER MOD Set 2.1: B 117 SER OG : rot 114:sc= 1.6 USER MOD Set 2.2: B 119 HIS : no HE2:sc= 0 X(o=1.6,f=1.4) USER MOD Set 3.1: B 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.2: B 137 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 54 THR OG1 : rot 180:sc= 0.828 USER MOD Set 4.2: A 57 THR OG1 : rot 92:sc= 0.916 USER MOD Set 5.1: A 4 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Set 5.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 36 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0503) USER MOD Set 6.2: A 38 SER OG : rot -171:sc= 1.26 USER MOD Set 7.1: A 24 GLN : amide:sc= 0.403 K(o=1.2,f=0.37) USER MOD Set 7.2: A 25 GLN : amide:sc= 0.836 K(o=1.2,f=0.37) USER MOD Set 8.1: A 7 THR OG1 : rot 180:sc= 0.758 USER MOD Set 8.2: A 45 THR OG1 : rot -80:sc= 0.903 USER MOD Single : A 1 MET CE :methyl 167:sc= -0.492 (180deg=-1.17) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.00782 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 133:sc= -0.217 (180deg=-1.28!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.38 K(o=-0.38,f=-2.8!) USER MOD Single : A 51 LYS NZ :NH3+ -122:sc= 1.05 (180deg=-0.097) USER MOD Single : A 53 GLN : amide:sc= -1.18 K(o=-1.2,f=-7.6!) USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= -0.0123 (180deg=-0.0981) USER MOD Single : A 59 GLN : amide:sc= 0.847 K(o=0.85,f=-1.2) USER MOD Single : A 65 MET CE :methyl -167:sc=-0.00701 (180deg=-0.29) USER MOD Single : A 72 HIS : no HD1:sc= -0.0611 X(o=-0.061,f=-0.0025) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 76 LYS NZ :NH3+ 174:sc= 1.18 (180deg=1.12) USER MOD Single : B 80 SER OG : rot 180:sc= 0 USER MOD Single : B 83 MET CE :methyl 179:sc= -0.0265 (180deg=-0.0272) USER MOD Single : B 84 THR OG1 : rot 180:sc= 0 USER MOD Single : B 88 CYS SG : rot 75:sc= 0.323 USER MOD Single : B 93 SER OG : rot -17:sc= 1.3 USER MOD Single : B 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 LYS NZ :NH3+ 156:sc= 1.22 (180deg=0.805) USER MOD Single : B 104 TYR OH : rot 130:sc= 0 USER MOD Single : B 110 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : B 111 LYS NZ :NH3+ -165:sc= 1.59 (180deg=1.26) USER MOD Single : B 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 114 CYS SG : rot 180:sc= 0 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 121 MET CE :methyl -177:sc= -0.661 (180deg=-0.745) USER MOD Single : B 123 THR OG1 : rot 180:sc= 0 USER MOD Single : B 127 THR OG1 : rot 81:sc= 0.946 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.18) USER MOD Single : B 131 THR OG1 : rot -56:sc= 1.28 USER MOD Single : B 134 THR OG1 : rot 180:sc= 0 USER MOD Single : B 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.441 -5.883 29.895 1.00 0.00 N ATOM 2 CA MET A 1 -4.839 -6.185 28.506 1.00 0.00 C ATOM 3 C MET A 1 -4.866 -7.696 28.303 1.00 0.00 C ATOM 4 O MET A 1 -3.930 -8.385 28.713 1.00 0.00 O ATOM 5 CB MET A 1 -3.925 -5.449 27.509 1.00 0.00 C ATOM 6 CG MET A 1 -4.007 -5.907 26.049 1.00 0.00 C ATOM 7 SD MET A 1 -2.963 -7.330 25.630 1.00 0.00 S ATOM 8 CE MET A 1 -3.207 -7.366 23.838 1.00 0.00 C ATOM 0 H1 MET A 1 -3.972 -4.955 29.928 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.285 -5.866 30.502 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.785 -6.615 30.235 1.00 0.00 H new ATOM 0 HA MET A 1 -5.847 -5.817 28.315 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.162 -4.386 27.548 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.894 -5.558 27.845 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.043 -6.156 25.820 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.731 -5.071 25.406 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.468 -8.025 23.383 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.208 -7.734 23.614 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.092 -6.360 23.435 1.00 0.00 H new ATOM 20 N GLY A 2 -5.933 -8.220 27.685 1.00 0.00 N ATOM 21 CA GLY A 2 -6.094 -9.650 27.394 1.00 0.00 C ATOM 22 C GLY A 2 -5.810 -9.934 25.922 1.00 0.00 C ATOM 23 O GLY A 2 -6.524 -9.410 25.067 1.00 0.00 O ATOM 0 H GLY A 2 -6.720 -7.653 27.369 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.417 -10.232 28.019 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -7.108 -9.965 27.642 1.00 0.00 H new ATOM 27 N VAL A 3 -4.808 -10.761 25.616 1.00 0.00 N ATOM 28 CA VAL A 3 -4.317 -10.933 24.229 1.00 0.00 C ATOM 29 C VAL A 3 -5.357 -11.579 23.307 1.00 0.00 C ATOM 30 O VAL A 3 -6.039 -12.529 23.691 1.00 0.00 O ATOM 31 CB VAL A 3 -2.970 -11.692 24.107 1.00 0.00 C ATOM 32 CG1 VAL A 3 -1.830 -10.928 24.797 1.00 0.00 C ATOM 33 CG2 VAL A 3 -3.001 -13.144 24.611 1.00 0.00 C ATOM 0 H VAL A 3 -4.314 -11.327 26.305 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.135 -9.910 23.899 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.786 -11.745 23.034 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.901 -11.488 24.692 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.717 -9.948 24.334 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.062 -10.805 25.855 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.016 -13.594 24.486 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.275 -13.157 25.666 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.735 -13.712 24.039 1.00 0.00 H new ATOM 43 N ASN A 4 -5.436 -11.087 22.067 1.00 0.00 N ATOM 44 CA ASN A 4 -6.183 -11.720 20.979 1.00 0.00 C ATOM 45 C ASN A 4 -5.301 -11.787 19.717 1.00 0.00 C ATOM 46 O ASN A 4 -4.799 -10.768 19.244 1.00 0.00 O ATOM 47 CB ASN A 4 -7.503 -10.962 20.758 1.00 0.00 C ATOM 48 CG ASN A 4 -8.560 -11.790 20.029 1.00 0.00 C ATOM 49 OD1 ASN A 4 -8.280 -12.646 19.195 1.00 0.00 O ATOM 50 ND2 ASN A 4 -9.823 -11.603 20.356 1.00 0.00 N ATOM 0 H ASN A 4 -4.974 -10.222 21.787 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.444 -12.747 21.234 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.900 -10.648 21.723 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.303 -10.056 20.186 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.552 -12.166 19.918 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.071 -10.895 21.047 1.00 0.00 H new ATOM 57 N SER A 5 -5.052 -12.992 19.204 1.00 0.00 N ATOM 58 CA SER A 5 -4.199 -13.267 18.040 1.00 0.00 C ATOM 59 C SER A 5 -5.033 -13.808 16.866 1.00 0.00 C ATOM 60 O SER A 5 -5.658 -14.864 16.998 1.00 0.00 O ATOM 61 CB SER A 5 -3.111 -14.281 18.433 1.00 0.00 C ATOM 62 OG SER A 5 -2.272 -14.573 17.322 1.00 0.00 O ATOM 0 H SER A 5 -5.454 -13.841 19.602 1.00 0.00 H new ATOM 0 HA SER A 5 -3.730 -12.337 17.719 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.513 -13.881 19.252 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.575 -15.198 18.796 1.00 0.00 H new ATOM 0 HG SER A 5 -1.585 -15.218 17.591 1.00 0.00 H new ATOM 68 N VAL A 6 -5.022 -13.129 15.711 1.00 0.00 N ATOM 69 CA VAL A 6 -5.856 -13.469 14.531 1.00 0.00 C ATOM 70 C VAL A 6 -5.012 -13.518 13.255 1.00 0.00 C ATOM 71 O VAL A 6 -4.107 -12.699 13.088 1.00 0.00 O ATOM 72 CB VAL A 6 -7.019 -12.454 14.364 1.00 0.00 C ATOM 73 CG1 VAL A 6 -7.771 -12.549 13.021 1.00 0.00 C ATOM 74 CG2 VAL A 6 -8.060 -12.654 15.475 1.00 0.00 C ATOM 0 H VAL A 6 -4.427 -12.314 15.559 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.280 -14.459 14.701 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.538 -11.477 14.410 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.565 -11.803 12.995 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.076 -12.368 12.201 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.205 -13.544 12.916 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.871 -11.937 15.347 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.460 -13.667 15.421 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.590 -12.501 16.446 1.00 0.00 H new ATOM 84 N THR A 7 -5.349 -14.451 12.348 1.00 0.00 N ATOM 85 CA THR A 7 -4.794 -14.541 10.987 1.00 0.00 C ATOM 86 C THR A 7 -5.840 -14.185 9.929 1.00 0.00 C ATOM 87 O THR A 7 -7.006 -14.577 9.992 1.00 0.00 O ATOM 88 CB THR A 7 -4.157 -15.909 10.722 1.00 0.00 C ATOM 89 OG1 THR A 7 -3.122 -16.086 11.660 1.00 0.00 O ATOM 90 CG2 THR A 7 -3.479 -15.997 9.353 1.00 0.00 C ATOM 0 H THR A 7 -6.032 -15.182 12.547 1.00 0.00 H new ATOM 0 HA THR A 7 -3.997 -13.801 10.913 1.00 0.00 H new ATOM 0 HB THR A 7 -4.954 -16.651 10.780 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.695 -16.956 11.516 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.047 -16.989 9.224 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.216 -15.818 8.570 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.691 -15.247 9.288 1.00 0.00 H new ATOM 98 N ILE A 8 -5.394 -13.421 8.937 1.00 0.00 N ATOM 99 CA ILE A 8 -6.165 -12.892 7.811 1.00 0.00 C ATOM 100 C ILE A 8 -5.452 -13.274 6.505 1.00 0.00 C ATOM 101 O ILE A 8 -4.286 -12.936 6.291 1.00 0.00 O ATOM 102 CB ILE A 8 -6.314 -11.355 7.981 1.00 0.00 C ATOM 103 CG1 ILE A 8 -7.066 -11.026 9.299 1.00 0.00 C ATOM 104 CG2 ILE A 8 -6.994 -10.709 6.761 1.00 0.00 C ATOM 105 CD1 ILE A 8 -7.463 -9.554 9.483 1.00 0.00 C ATOM 0 H ILE A 8 -4.416 -13.134 8.893 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.168 -13.317 7.779 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.315 -10.925 8.045 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.968 -11.636 9.344 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.438 -11.323 10.139 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.080 -9.634 6.919 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.397 -10.898 5.869 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.988 -11.137 6.630 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.982 -9.433 10.434 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.568 -8.932 9.476 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.122 -9.250 8.669 1.00 0.00 H new ATOM 117 N SER A 9 -6.157 -13.932 5.591 1.00 0.00 N ATOM 118 CA SER A 9 -5.735 -14.135 4.203 1.00 0.00 C ATOM 119 C SER A 9 -5.703 -12.777 3.478 1.00 0.00 C ATOM 120 O SER A 9 -6.658 -12.411 2.793 1.00 0.00 O ATOM 121 CB SER A 9 -6.689 -15.111 3.479 1.00 0.00 C ATOM 122 OG SER A 9 -6.969 -16.286 4.221 1.00 0.00 O ATOM 0 H SER A 9 -7.063 -14.352 5.797 1.00 0.00 H new ATOM 0 HA SER A 9 -4.737 -14.573 4.194 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.625 -14.597 3.262 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.250 -15.392 2.522 1.00 0.00 H new ATOM 0 HG SER A 9 -7.578 -16.859 3.709 1.00 0.00 H new ATOM 128 N VAL A 10 -4.639 -11.990 3.675 1.00 0.00 N ATOM 129 CA VAL A 10 -4.338 -10.766 2.907 1.00 0.00 C ATOM 130 C VAL A 10 -3.827 -11.167 1.515 1.00 0.00 C ATOM 131 O VAL A 10 -2.635 -11.119 1.212 1.00 0.00 O ATOM 132 CB VAL A 10 -3.392 -9.786 3.643 1.00 0.00 C ATOM 133 CG1 VAL A 10 -3.157 -8.482 2.849 1.00 0.00 C ATOM 134 CG2 VAL A 10 -4.009 -9.379 4.990 1.00 0.00 C ATOM 0 H VAL A 10 -3.941 -12.188 4.392 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.260 -10.196 2.795 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.444 -10.310 3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.487 -7.830 3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.709 -8.719 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.109 -7.975 2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.339 -8.689 5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.969 -8.892 4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.157 -10.266 5.605 1.00 0.00 H new ATOM 144 N GLU A 11 -4.769 -11.610 0.684 1.00 0.00 N ATOM 145 CA GLU A 11 -4.535 -12.172 -0.651 1.00 0.00 C ATOM 146 C GLU A 11 -3.953 -11.166 -1.665 1.00 0.00 C ATOM 147 O GLU A 11 -3.386 -11.579 -2.682 1.00 0.00 O ATOM 148 CB GLU A 11 -5.839 -12.778 -1.197 1.00 0.00 C ATOM 149 CG GLU A 11 -6.310 -13.995 -0.385 1.00 0.00 C ATOM 150 CD GLU A 11 -7.071 -14.992 -1.256 1.00 0.00 C ATOM 151 OE1 GLU A 11 -8.154 -14.648 -1.782 1.00 0.00 O ATOM 152 OE2 GLU A 11 -6.592 -16.139 -1.428 1.00 0.00 O ATOM 0 H GLU A 11 -5.759 -11.587 0.930 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.776 -12.945 -0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.620 -12.017 -1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.691 -13.074 -2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.449 -14.488 0.065 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.950 -13.662 0.432 1.00 0.00 H new ATOM 159 N GLY A 12 -4.047 -9.860 -1.380 1.00 0.00 N ATOM 160 CA GLY A 12 -3.469 -8.787 -2.201 1.00 0.00 C ATOM 161 C GLY A 12 -1.948 -8.627 -2.072 1.00 0.00 C ATOM 162 O GLY A 12 -1.353 -7.894 -2.855 1.00 0.00 O ATOM 0 H GLY A 12 -4.537 -9.513 -0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.713 -8.977 -3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.944 -7.844 -1.929 1.00 0.00 H new ATOM 166 N MET A 13 -1.312 -9.276 -1.092 1.00 0.00 N ATOM 167 CA MET A 13 0.103 -9.090 -0.735 1.00 0.00 C ATOM 168 C MET A 13 0.946 -10.310 -1.141 1.00 0.00 C ATOM 169 O MET A 13 0.775 -11.393 -0.578 1.00 0.00 O ATOM 170 CB MET A 13 0.153 -8.834 0.774 1.00 0.00 C ATOM 171 CG MET A 13 1.571 -8.607 1.312 1.00 0.00 C ATOM 172 SD MET A 13 1.699 -8.819 3.101 1.00 0.00 S ATOM 173 CE MET A 13 1.305 -10.585 3.177 1.00 0.00 C ATOM 0 H MET A 13 -1.780 -9.967 -0.506 1.00 0.00 H new ATOM 0 HA MET A 13 0.531 -8.244 -1.273 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.459 -7.962 1.007 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.292 -9.683 1.293 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.254 -9.301 0.821 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.895 -7.600 1.048 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.027 -11.092 3.817 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.303 -10.717 3.585 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.348 -11.011 2.175 1.00 0.00 H new ATOM 183 N THR A 14 1.878 -10.126 -2.090 1.00 0.00 N ATOM 184 CA THR A 14 2.707 -11.198 -2.684 1.00 0.00 C ATOM 185 C THR A 14 4.181 -10.823 -2.871 1.00 0.00 C ATOM 186 O THR A 14 4.909 -11.578 -3.521 1.00 0.00 O ATOM 187 CB THR A 14 2.108 -11.674 -4.020 1.00 0.00 C ATOM 188 OG1 THR A 14 2.090 -10.636 -4.976 1.00 0.00 O ATOM 189 CG2 THR A 14 0.666 -12.150 -3.880 1.00 0.00 C ATOM 0 H THR A 14 2.084 -9.206 -2.478 1.00 0.00 H new ATOM 0 HA THR A 14 2.692 -12.012 -1.959 1.00 0.00 H new ATOM 0 HB THR A 14 2.748 -12.497 -4.337 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.706 -10.969 -5.814 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.294 -12.474 -4.852 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.624 -12.984 -3.179 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.048 -11.333 -3.509 1.00 0.00 H new ATOM 197 N CYS A 15 4.629 -9.680 -2.336 1.00 0.00 N ATOM 198 CA CYS A 15 5.966 -9.150 -2.564 1.00 0.00 C ATOM 199 C CYS A 15 6.641 -8.492 -1.324 1.00 0.00 C ATOM 200 O CYS A 15 6.031 -8.221 -0.281 1.00 0.00 O ATOM 201 CB CYS A 15 5.904 -8.303 -3.852 1.00 0.00 C ATOM 202 SG CYS A 15 5.559 -6.544 -3.545 1.00 0.00 S ATOM 0 H CYS A 15 4.060 -9.094 -1.725 1.00 0.00 H new ATOM 0 HA CYS A 15 6.671 -9.966 -2.722 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.852 -8.392 -4.383 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.133 -8.708 -4.507 1.00 0.00 H new ATOM 207 N ASN A 16 7.962 -8.329 -1.442 1.00 0.00 N ATOM 208 CA ASN A 16 8.902 -8.120 -0.338 1.00 0.00 C ATOM 209 C ASN A 16 8.927 -6.687 0.221 1.00 0.00 C ATOM 210 O ASN A 16 9.493 -6.476 1.293 1.00 0.00 O ATOM 211 CB ASN A 16 10.311 -8.544 -0.791 1.00 0.00 C ATOM 212 CG ASN A 16 10.341 -9.967 -1.333 1.00 0.00 C ATOM 213 OD1 ASN A 16 10.116 -10.188 -2.516 1.00 0.00 O ATOM 214 ND2 ASN A 16 10.585 -10.964 -0.504 1.00 0.00 N ATOM 0 H ASN A 16 8.426 -8.340 -2.351 1.00 0.00 H new ATOM 0 HA ASN A 16 8.552 -8.739 0.488 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.665 -7.857 -1.560 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.000 -8.463 0.050 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.587 -11.924 -0.848 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.772 -10.774 0.481 1.00 0.00 H new ATOM 221 N SER A 17 8.306 -5.709 -0.445 1.00 0.00 N ATOM 222 CA SER A 17 8.132 -4.351 0.100 1.00 0.00 C ATOM 223 C SER A 17 6.681 -4.064 0.539 1.00 0.00 C ATOM 224 O SER A 17 6.451 -3.221 1.408 1.00 0.00 O ATOM 225 CB SER A 17 8.662 -3.300 -0.887 1.00 0.00 C ATOM 226 OG SER A 17 7.744 -2.959 -1.915 1.00 0.00 O ATOM 0 H SER A 17 7.909 -5.832 -1.376 1.00 0.00 H new ATOM 0 HA SER A 17 8.729 -4.287 1.010 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.925 -2.398 -0.335 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.579 -3.674 -1.342 1.00 0.00 H new ATOM 0 HG SER A 17 7.228 -3.752 -2.169 1.00 0.00 H new ATOM 232 N CYS A 18 5.686 -4.789 0.019 1.00 0.00 N ATOM 233 CA CYS A 18 4.303 -4.755 0.484 1.00 0.00 C ATOM 234 C CYS A 18 4.209 -5.142 1.984 1.00 0.00 C ATOM 235 O CYS A 18 3.518 -4.484 2.765 1.00 0.00 O ATOM 236 CB CYS A 18 3.554 -5.699 -0.470 1.00 0.00 C ATOM 237 SG CYS A 18 3.685 -5.043 -2.153 1.00 0.00 S ATOM 0 H CYS A 18 5.828 -5.433 -0.759 1.00 0.00 H new ATOM 0 HA CYS A 18 3.855 -3.762 0.454 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.979 -6.702 -0.421 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.508 -5.781 -0.176 1.00 0.00 H new ATOM 242 N VAL A 19 4.990 -6.145 2.396 1.00 0.00 N ATOM 243 CA VAL A 19 5.163 -6.551 3.810 1.00 0.00 C ATOM 244 C VAL A 19 5.705 -5.426 4.719 1.00 0.00 C ATOM 245 O VAL A 19 5.363 -5.384 5.902 1.00 0.00 O ATOM 246 CB VAL A 19 6.052 -7.811 3.962 1.00 0.00 C ATOM 247 CG1 VAL A 19 5.361 -9.064 3.401 1.00 0.00 C ATOM 248 CG2 VAL A 19 7.420 -7.665 3.285 1.00 0.00 C ATOM 0 H VAL A 19 5.535 -6.715 1.749 1.00 0.00 H new ATOM 0 HA VAL A 19 4.153 -6.788 4.145 1.00 0.00 H new ATOM 0 HB VAL A 19 6.208 -7.921 5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.015 -9.927 3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.428 -9.236 3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.149 -8.919 2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.996 -8.580 3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.281 -7.485 2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.957 -6.826 3.727 1.00 0.00 H new ATOM 258 N TRP A 20 6.501 -4.482 4.187 1.00 0.00 N ATOM 259 CA TRP A 20 6.880 -3.256 4.904 1.00 0.00 C ATOM 260 C TRP A 20 5.689 -2.290 5.017 1.00 0.00 C ATOM 261 O TRP A 20 5.420 -1.784 6.108 1.00 0.00 O ATOM 262 CB TRP A 20 8.099 -2.594 4.234 1.00 0.00 C ATOM 263 CG TRP A 20 8.523 -1.285 4.835 1.00 0.00 C ATOM 264 CD1 TRP A 20 9.464 -1.127 5.791 1.00 0.00 C ATOM 265 CD2 TRP A 20 8.037 0.064 4.535 1.00 0.00 C ATOM 266 NE1 TRP A 20 9.559 0.209 6.139 1.00 0.00 N ATOM 267 CE2 TRP A 20 8.726 0.991 5.374 1.00 0.00 C ATOM 268 CE3 TRP A 20 7.093 0.602 3.635 1.00 0.00 C ATOM 269 CZ2 TRP A 20 8.501 2.374 5.316 1.00 0.00 C ATOM 270 CZ3 TRP A 20 6.836 1.985 3.593 1.00 0.00 C ATOM 271 CH2 TRP A 20 7.547 2.874 4.415 1.00 0.00 C ATOM 0 H TRP A 20 6.898 -4.549 3.250 1.00 0.00 H new ATOM 0 HA TRP A 20 7.169 -3.524 5.920 1.00 0.00 H new ATOM 0 HB2 TRP A 20 8.940 -3.286 4.280 1.00 0.00 H new ATOM 0 HB3 TRP A 20 7.873 -2.436 3.179 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.054 -1.924 6.220 1.00 0.00 H new ATOM 0 HE1 TRP A 20 10.171 0.569 6.872 1.00 0.00 H new ATOM 0 HE3 TRP A 20 6.559 -0.058 2.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 9.054 3.046 5.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 6.083 2.367 2.920 1.00 0.00 H new ATOM 0 HH2 TRP A 20 7.361 3.936 4.355 1.00 0.00 H new ATOM 282 N THR A 21 4.934 -2.082 3.925 1.00 0.00 N ATOM 283 CA THR A 21 3.748 -1.202 3.899 1.00 0.00 C ATOM 284 C THR A 21 2.703 -1.628 4.926 1.00 0.00 C ATOM 285 O THR A 21 2.197 -0.748 5.621 1.00 0.00 O ATOM 286 CB THR A 21 3.170 -1.103 2.480 1.00 0.00 C ATOM 287 OG1 THR A 21 4.133 -0.462 1.676 1.00 0.00 O ATOM 288 CG2 THR A 21 1.883 -0.277 2.398 1.00 0.00 C ATOM 0 H THR A 21 5.130 -2.523 3.026 1.00 0.00 H new ATOM 0 HA THR A 21 4.067 -0.201 4.188 1.00 0.00 H new ATOM 0 HB THR A 21 2.931 -2.115 2.154 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.005 0.508 1.723 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.533 -0.251 1.366 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.119 -0.730 3.029 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.080 0.739 2.740 1.00 0.00 H new ATOM 296 N ILE A 22 2.436 -2.932 5.102 1.00 0.00 N ATOM 297 CA ILE A 22 1.546 -3.439 6.177 1.00 0.00 C ATOM 298 C ILE A 22 2.013 -2.954 7.556 1.00 0.00 C ATOM 299 O ILE A 22 1.256 -2.291 8.253 1.00 0.00 O ATOM 300 CB ILE A 22 1.425 -4.988 6.175 1.00 0.00 C ATOM 301 CG1 ILE A 22 0.896 -5.586 4.850 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.542 -5.457 7.356 1.00 0.00 C ATOM 303 CD1 ILE A 22 -0.531 -5.190 4.449 1.00 0.00 C ATOM 0 H ILE A 22 2.825 -3.667 4.511 1.00 0.00 H new ATOM 0 HA ILE A 22 0.556 -3.032 5.969 1.00 0.00 H new ATOM 0 HB ILE A 22 2.442 -5.363 6.287 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.572 -5.291 4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.942 -6.673 4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.465 -6.544 7.343 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.991 -5.136 8.296 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.453 -5.022 7.262 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.790 -5.670 3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.229 -5.511 5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.590 -4.108 4.334 1.00 0.00 H new ATOM 315 N GLU A 23 3.255 -3.263 7.932 1.00 0.00 N ATOM 316 CA GLU A 23 3.875 -2.932 9.220 1.00 0.00 C ATOM 317 C GLU A 23 3.839 -1.417 9.497 1.00 0.00 C ATOM 318 O GLU A 23 3.601 -0.988 10.628 1.00 0.00 O ATOM 319 CB GLU A 23 5.312 -3.487 9.159 1.00 0.00 C ATOM 320 CG GLU A 23 6.128 -3.415 10.456 1.00 0.00 C ATOM 321 CD GLU A 23 7.523 -4.033 10.300 1.00 0.00 C ATOM 322 OE1 GLU A 23 7.971 -4.296 9.157 1.00 0.00 O ATOM 323 OE2 GLU A 23 8.250 -4.163 11.310 1.00 0.00 O ATOM 0 H GLU A 23 3.888 -3.776 7.318 1.00 0.00 H new ATOM 0 HA GLU A 23 3.328 -3.380 10.050 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.262 -4.529 8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.854 -2.946 8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.226 -2.374 10.764 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.590 -3.933 11.250 1.00 0.00 H new ATOM 330 N GLN A 24 4.023 -0.609 8.450 1.00 0.00 N ATOM 331 CA GLN A 24 3.949 0.849 8.491 1.00 0.00 C ATOM 332 C GLN A 24 2.502 1.358 8.679 1.00 0.00 C ATOM 333 O GLN A 24 2.310 2.329 9.409 1.00 0.00 O ATOM 334 CB GLN A 24 4.632 1.376 7.208 1.00 0.00 C ATOM 335 CG GLN A 24 5.247 2.782 7.300 1.00 0.00 C ATOM 336 CD GLN A 24 4.235 3.929 7.300 1.00 0.00 C ATOM 337 OE1 GLN A 24 3.337 4.009 6.463 1.00 0.00 O ATOM 338 NE2 GLN A 24 4.364 4.898 8.178 1.00 0.00 N ATOM 0 H GLN A 24 4.235 -0.967 7.519 1.00 0.00 H new ATOM 0 HA GLN A 24 4.475 1.238 9.363 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.417 0.675 6.925 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.898 1.374 6.403 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.843 2.843 8.210 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.930 2.919 6.462 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.101 4.854 8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.727 5.694 8.156 1.00 0.00 H new ATOM 347 N GLN A 25 1.488 0.727 8.062 1.00 0.00 N ATOM 348 CA GLN A 25 0.070 1.088 8.255 1.00 0.00 C ATOM 349 C GLN A 25 -0.486 0.626 9.607 1.00 0.00 C ATOM 350 O GLN A 25 -1.263 1.342 10.237 1.00 0.00 O ATOM 351 CB GLN A 25 -0.847 0.516 7.150 1.00 0.00 C ATOM 352 CG GLN A 25 -0.617 0.952 5.689 1.00 0.00 C ATOM 353 CD GLN A 25 0.182 2.242 5.542 1.00 0.00 C ATOM 354 OE1 GLN A 25 -0.331 3.347 5.671 1.00 0.00 O ATOM 355 NE2 GLN A 25 1.474 2.143 5.327 1.00 0.00 N ATOM 0 H GLN A 25 1.627 -0.049 7.414 1.00 0.00 H new ATOM 0 HA GLN A 25 0.064 2.177 8.212 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.767 -0.570 7.186 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.875 0.769 7.411 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.097 0.153 5.160 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.584 1.079 5.203 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.904 1.224 5.219 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.047 2.985 5.268 1.00 0.00 H new ATOM 364 N ILE A 26 -0.145 -0.596 10.026 1.00 0.00 N ATOM 365 CA ILE A 26 -0.697 -1.238 11.228 1.00 0.00 C ATOM 366 C ILE A 26 -0.196 -0.545 12.493 1.00 0.00 C ATOM 367 O ILE A 26 -1.013 -0.213 13.355 1.00 0.00 O ATOM 368 CB ILE A 26 -0.426 -2.766 11.165 1.00 0.00 C ATOM 369 CG1 ILE A 26 -1.651 -3.533 10.614 1.00 0.00 C ATOM 370 CG2 ILE A 26 -0.019 -3.401 12.504 1.00 0.00 C ATOM 371 CD1 ILE A 26 -2.130 -3.068 9.231 1.00 0.00 C ATOM 0 H ILE A 26 0.533 -1.178 9.534 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.780 -1.123 11.265 1.00 0.00 H new ATOM 0 HB ILE A 26 0.426 -2.857 10.491 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.405 -4.593 10.561 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.474 -3.432 11.321 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.150 -4.469 12.364 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.897 -2.933 12.865 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.815 -3.252 13.234 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.992 -3.662 8.926 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.412 -2.016 9.278 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.326 -3.196 8.506 1.00 0.00 H new ATOM 383 N GLY A 27 1.103 -0.233 12.564 1.00 0.00 N ATOM 384 CA GLY A 27 1.721 0.465 13.707 1.00 0.00 C ATOM 385 C GLY A 27 1.117 1.837 14.054 1.00 0.00 C ATOM 386 O GLY A 27 1.371 2.360 15.140 1.00 0.00 O ATOM 0 H GLY A 27 1.766 -0.459 11.823 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.647 -0.177 14.585 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.782 0.598 13.498 1.00 0.00 H new ATOM 390 N LYS A 28 0.273 2.411 13.188 1.00 0.00 N ATOM 391 CA LYS A 28 -0.521 3.618 13.468 1.00 0.00 C ATOM 392 C LYS A 28 -1.813 3.337 14.255 1.00 0.00 C ATOM 393 O LYS A 28 -2.331 4.242 14.912 1.00 0.00 O ATOM 394 CB LYS A 28 -0.867 4.306 12.137 1.00 0.00 C ATOM 395 CG LYS A 28 0.369 4.836 11.385 1.00 0.00 C ATOM 396 CD LYS A 28 0.038 5.401 9.996 1.00 0.00 C ATOM 397 CE LYS A 28 -1.123 6.398 10.056 1.00 0.00 C ATOM 398 NZ LYS A 28 -1.362 7.050 8.749 1.00 0.00 N ATOM 0 H LYS A 28 0.118 2.042 12.250 1.00 0.00 H new ATOM 0 HA LYS A 28 0.089 4.263 14.100 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.397 3.600 11.498 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.549 5.134 12.331 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.843 5.614 11.983 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.094 4.029 11.278 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.919 5.892 9.583 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.218 4.584 9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.028 5.881 10.374 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.909 7.159 10.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.156 7.717 8.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.507 7.565 8.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.592 6.327 8.037 1.00 0.00 H new ATOM 412 N VAL A 29 -2.332 2.107 14.221 1.00 0.00 N ATOM 413 CA VAL A 29 -3.570 1.738 14.922 1.00 0.00 C ATOM 414 C VAL A 29 -3.208 1.266 16.330 1.00 0.00 C ATOM 415 O VAL A 29 -2.867 0.105 16.549 1.00 0.00 O ATOM 416 CB VAL A 29 -4.415 0.686 14.171 1.00 0.00 C ATOM 417 CG1 VAL A 29 -5.824 0.627 14.783 1.00 0.00 C ATOM 418 CG2 VAL A 29 -4.535 0.971 12.664 1.00 0.00 C ATOM 0 H VAL A 29 -1.907 1.336 13.706 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.206 2.622 14.972 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.900 -0.268 14.281 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.420 -0.116 14.253 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.752 0.351 15.835 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.300 1.604 14.696 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.141 0.196 12.194 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.008 1.942 12.514 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.542 0.978 12.215 1.00 0.00 H new ATOM 428 N ASN A 30 -3.254 2.213 17.265 1.00 0.00 N ATOM 429 CA ASN A 30 -2.794 2.130 18.662 1.00 0.00 C ATOM 430 C ASN A 30 -2.924 0.740 19.323 1.00 0.00 C ATOM 431 O ASN A 30 -1.977 0.273 19.958 1.00 0.00 O ATOM 432 CB ASN A 30 -3.573 3.181 19.472 1.00 0.00 C ATOM 433 CG ASN A 30 -3.258 3.164 20.965 1.00 0.00 C ATOM 434 OD1 ASN A 30 -2.147 2.877 21.395 1.00 0.00 O ATOM 435 ND2 ASN A 30 -4.237 3.444 21.800 1.00 0.00 N ATOM 0 H ASN A 30 -3.643 3.132 17.056 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.721 2.321 18.655 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.350 4.171 19.074 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.641 3.015 19.333 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.071 3.422 22.806 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.161 3.683 21.441 1.00 0.00 H new ATOM 442 N GLY A 31 -4.058 0.049 19.139 1.00 0.00 N ATOM 443 CA GLY A 31 -4.355 -1.233 19.785 1.00 0.00 C ATOM 444 C GLY A 31 -3.496 -2.423 19.363 1.00 0.00 C ATOM 445 O GLY A 31 -3.506 -3.425 20.069 1.00 0.00 O ATOM 0 H GLY A 31 -4.806 0.373 18.526 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.253 -1.104 20.863 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.399 -1.479 19.590 1.00 0.00 H new ATOM 449 N VAL A 32 -2.770 -2.356 18.248 1.00 0.00 N ATOM 450 CA VAL A 32 -1.912 -3.467 17.779 1.00 0.00 C ATOM 451 C VAL A 32 -0.738 -3.702 18.741 1.00 0.00 C ATOM 452 O VAL A 32 -0.173 -2.744 19.262 1.00 0.00 O ATOM 453 CB VAL A 32 -1.437 -3.276 16.325 1.00 0.00 C ATOM 454 CG1 VAL A 32 -2.699 -3.115 15.446 1.00 0.00 C ATOM 455 CG2 VAL A 32 -0.412 -2.140 16.162 1.00 0.00 C ATOM 0 H VAL A 32 -2.753 -1.538 17.639 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.527 -4.367 17.779 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.878 -4.152 15.997 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.403 -2.977 14.406 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.318 -4.008 15.532 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.267 -2.246 15.780 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.120 -2.060 15.115 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.856 -1.199 16.487 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.468 -2.354 16.768 1.00 0.00 H new ATOM 465 N HIS A 33 -0.367 -4.961 18.993 1.00 0.00 N ATOM 466 CA HIS A 33 0.763 -5.318 19.865 1.00 0.00 C ATOM 467 C HIS A 33 1.931 -5.982 19.106 1.00 0.00 C ATOM 468 O HIS A 33 3.088 -5.671 19.395 1.00 0.00 O ATOM 469 CB HIS A 33 0.267 -6.230 20.998 1.00 0.00 C ATOM 470 CG HIS A 33 1.359 -6.536 21.997 1.00 0.00 C ATOM 471 ND1 HIS A 33 1.888 -5.651 22.910 1.00 0.00 N ATOM 472 CD2 HIS A 33 2.079 -7.697 22.102 1.00 0.00 C ATOM 473 CE1 HIS A 33 2.895 -6.262 23.554 1.00 0.00 C ATOM 474 NE2 HIS A 33 3.062 -7.514 23.085 1.00 0.00 N ATOM 0 H HIS A 33 -0.845 -5.770 18.596 1.00 0.00 H new ATOM 0 HA HIS A 33 1.160 -4.390 20.277 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.568 -5.752 21.509 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.109 -7.162 20.575 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.917 -8.597 21.527 1.00 0.00 H new ATOM 0 HE1 HIS A 33 3.488 -5.813 24.337 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.762 -8.192 23.385 1.00 0.00 H new ATOM 482 N HIS A 34 1.666 -6.859 18.132 1.00 0.00 N ATOM 483 CA HIS A 34 2.705 -7.515 17.322 1.00 0.00 C ATOM 484 C HIS A 34 2.176 -7.875 15.923 1.00 0.00 C ATOM 485 O HIS A 34 1.233 -8.663 15.826 1.00 0.00 O ATOM 486 CB HIS A 34 3.205 -8.772 18.055 1.00 0.00 C ATOM 487 CG HIS A 34 4.154 -9.618 17.237 1.00 0.00 C ATOM 488 ND1 HIS A 34 3.800 -10.658 16.407 1.00 0.00 N ATOM 489 CD2 HIS A 34 5.521 -9.526 17.199 1.00 0.00 C ATOM 490 CE1 HIS A 34 4.920 -11.194 15.903 1.00 0.00 C ATOM 491 NE2 HIS A 34 6.003 -10.531 16.348 1.00 0.00 N ATOM 0 H HIS A 34 0.718 -7.138 17.880 1.00 0.00 H new ATOM 0 HA HIS A 34 3.535 -6.822 17.188 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.704 -8.470 18.976 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.347 -9.380 18.342 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.123 -8.805 17.732 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.949 -12.040 15.233 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.977 -10.721 16.114 1.00 0.00 H new ATOM 499 N ILE A 35 2.782 -7.335 14.853 1.00 0.00 N ATOM 500 CA ILE A 35 2.492 -7.682 13.444 1.00 0.00 C ATOM 501 C ILE A 35 3.465 -8.735 12.876 1.00 0.00 C ATOM 502 O ILE A 35 4.679 -8.641 13.062 1.00 0.00 O ATOM 503 CB ILE A 35 2.425 -6.389 12.574 1.00 0.00 C ATOM 504 CG1 ILE A 35 1.861 -6.636 11.152 1.00 0.00 C ATOM 505 CG2 ILE A 35 3.743 -5.596 12.535 1.00 0.00 C ATOM 506 CD1 ILE A 35 2.883 -6.934 10.046 1.00 0.00 C ATOM 0 H ILE A 35 3.508 -6.624 14.942 1.00 0.00 H new ATOM 0 HA ILE A 35 1.512 -8.158 13.411 1.00 0.00 H new ATOM 0 HB ILE A 35 1.706 -5.754 13.091 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.163 -7.471 11.204 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.287 -5.758 10.857 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.617 -4.711 11.911 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.014 -5.291 13.546 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.533 -6.223 12.121 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.362 -7.088 9.101 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.570 -6.093 9.949 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.444 -7.833 10.301 1.00 0.00 H new ATOM 518 N LYS A 36 2.931 -9.708 12.129 1.00 0.00 N ATOM 519 CA LYS A 36 3.659 -10.651 11.258 1.00 0.00 C ATOM 520 C LYS A 36 2.949 -10.770 9.889 1.00 0.00 C ATOM 521 O LYS A 36 1.719 -10.730 9.833 1.00 0.00 O ATOM 522 CB LYS A 36 3.724 -12.022 11.966 1.00 0.00 C ATOM 523 CG LYS A 36 4.415 -13.124 11.144 1.00 0.00 C ATOM 524 CD LYS A 36 4.302 -14.482 11.853 1.00 0.00 C ATOM 525 CE LYS A 36 4.975 -15.628 11.084 1.00 0.00 C ATOM 526 NZ LYS A 36 4.436 -15.802 9.715 1.00 0.00 N ATOM 0 H LYS A 36 1.924 -9.871 12.112 1.00 0.00 H new ATOM 0 HA LYS A 36 4.671 -10.289 11.076 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.252 -11.905 12.912 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.710 -12.344 12.204 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.961 -13.186 10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.465 -12.871 10.997 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.751 -14.405 12.843 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.249 -14.721 11.999 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.047 -15.438 11.025 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.846 -16.556 11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.867 -16.641 9.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.405 -15.927 9.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.657 -14.961 9.145 1.00 0.00 H new ATOM 540 N VAL A 37 3.690 -10.957 8.794 1.00 0.00 N ATOM 541 CA VAL A 37 3.150 -11.134 7.432 1.00 0.00 C ATOM 542 C VAL A 37 3.981 -12.124 6.608 1.00 0.00 C ATOM 543 O VAL A 37 5.209 -12.103 6.628 1.00 0.00 O ATOM 544 CB VAL A 37 3.010 -9.800 6.656 1.00 0.00 C ATOM 545 CG1 VAL A 37 1.660 -9.137 6.936 1.00 0.00 C ATOM 546 CG2 VAL A 37 4.150 -8.800 6.915 1.00 0.00 C ATOM 0 H VAL A 37 4.709 -10.991 8.825 1.00 0.00 H new ATOM 0 HA VAL A 37 2.150 -11.544 7.573 1.00 0.00 H new ATOM 0 HB VAL A 37 3.073 -10.075 5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.591 -8.203 6.378 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.856 -9.805 6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.571 -8.930 8.002 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.977 -7.893 6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.182 -8.552 7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.099 -9.245 6.618 1.00 0.00 H new ATOM 556 N SER A 38 3.282 -12.994 5.882 1.00 0.00 N ATOM 557 CA SER A 38 3.840 -14.093 5.086 1.00 0.00 C ATOM 558 C SER A 38 3.580 -13.903 3.579 1.00 0.00 C ATOM 559 O SER A 38 2.457 -14.098 3.107 1.00 0.00 O ATOM 560 CB SER A 38 3.178 -15.405 5.520 1.00 0.00 C ATOM 561 OG SER A 38 3.657 -15.881 6.759 1.00 0.00 O ATOM 0 H SER A 38 2.264 -12.953 5.828 1.00 0.00 H new ATOM 0 HA SER A 38 4.917 -14.111 5.253 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.100 -15.257 5.586 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.350 -16.162 4.755 1.00 0.00 H new ATOM 0 HG SER A 38 3.307 -16.782 6.921 1.00 0.00 H new ATOM 567 N LEU A 39 4.621 -13.577 2.802 1.00 0.00 N ATOM 568 CA LEU A 39 4.532 -13.329 1.351 1.00 0.00 C ATOM 569 C LEU A 39 4.446 -14.600 0.482 1.00 0.00 C ATOM 570 O LEU A 39 4.037 -14.519 -0.678 1.00 0.00 O ATOM 571 CB LEU A 39 5.715 -12.432 0.938 1.00 0.00 C ATOM 572 CG LEU A 39 7.093 -13.135 1.002 1.00 0.00 C ATOM 573 CD1 LEU A 39 7.601 -13.502 -0.402 1.00 0.00 C ATOM 574 CD2 LEU A 39 8.124 -12.236 1.700 1.00 0.00 C ATOM 0 H LEU A 39 5.568 -13.476 3.168 1.00 0.00 H new ATOM 0 HA LEU A 39 3.584 -12.825 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.548 -12.074 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.736 -11.555 1.585 1.00 0.00 H new ATOM 0 HG LEU A 39 6.965 -14.053 1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.570 -13.994 -0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.891 -14.176 -0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.702 -12.597 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.087 -12.746 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.228 -11.303 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.790 -12.019 2.715 1.00 0.00 H new ATOM 586 N GLU A 40 4.819 -15.771 1.010 1.00 0.00 N ATOM 587 CA GLU A 40 4.660 -17.054 0.312 1.00 0.00 C ATOM 588 C GLU A 40 3.322 -17.729 0.652 1.00 0.00 C ATOM 589 O GLU A 40 2.826 -18.544 -0.128 1.00 0.00 O ATOM 590 CB GLU A 40 5.806 -18.026 0.648 1.00 0.00 C ATOM 591 CG GLU A 40 7.211 -17.440 0.453 1.00 0.00 C ATOM 592 CD GLU A 40 8.194 -18.523 0.014 1.00 0.00 C ATOM 593 OE1 GLU A 40 8.506 -19.427 0.825 1.00 0.00 O ATOM 594 OE2 GLU A 40 8.632 -18.493 -1.162 1.00 0.00 O ATOM 0 H GLU A 40 5.240 -15.857 1.935 1.00 0.00 H new ATOM 0 HA GLU A 40 4.681 -16.824 -0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.701 -18.349 1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.707 -18.915 0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.179 -16.647 -0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.553 -16.987 1.383 1.00 0.00 H new ATOM 601 N GLU A 41 2.718 -17.386 1.793 1.00 0.00 N ATOM 602 CA GLU A 41 1.398 -17.886 2.215 1.00 0.00 C ATOM 603 C GLU A 41 0.252 -16.929 1.838 1.00 0.00 C ATOM 604 O GLU A 41 -0.912 -17.339 1.799 1.00 0.00 O ATOM 605 CB GLU A 41 1.371 -18.100 3.733 1.00 0.00 C ATOM 606 CG GLU A 41 2.494 -18.988 4.287 1.00 0.00 C ATOM 607 CD GLU A 41 2.365 -19.127 5.800 1.00 0.00 C ATOM 608 OE1 GLU A 41 1.560 -19.968 6.265 1.00 0.00 O ATOM 609 OE2 GLU A 41 3.068 -18.392 6.533 1.00 0.00 O ATOM 0 H GLU A 41 3.136 -16.742 2.464 1.00 0.00 H new ATOM 0 HA GLU A 41 1.244 -18.828 1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.424 -17.127 4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.412 -18.542 4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.452 -19.972 3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.464 -18.558 4.036 1.00 0.00 H new ATOM 616 N LYS A 42 0.577 -15.654 1.586 1.00 0.00 N ATOM 617 CA LYS A 42 -0.346 -14.550 1.293 1.00 0.00 C ATOM 618 C LYS A 42 -1.305 -14.285 2.474 1.00 0.00 C ATOM 619 O LYS A 42 -2.523 -14.161 2.323 1.00 0.00 O ATOM 620 CB LYS A 42 -1.035 -14.746 -0.070 1.00 0.00 C ATOM 621 CG LYS A 42 -0.077 -14.756 -1.277 1.00 0.00 C ATOM 622 CD LYS A 42 0.599 -16.095 -1.607 1.00 0.00 C ATOM 623 CE LYS A 42 1.342 -15.988 -2.949 1.00 0.00 C ATOM 624 NZ LYS A 42 1.510 -17.301 -3.621 1.00 0.00 N ATOM 0 H LYS A 42 1.550 -15.348 1.581 1.00 0.00 H new ATOM 0 HA LYS A 42 0.227 -13.629 1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.586 -15.686 -0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.767 -13.951 -0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.633 -14.429 -2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.703 -14.015 -1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.297 -16.365 -0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.148 -16.887 -1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.795 -15.315 -3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.323 -15.543 -2.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.017 -17.169 -4.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.056 -17.938 -3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.575 -17.717 -3.808 1.00 0.00 H new ATOM 638 N ASN A 43 -0.742 -14.215 3.687 1.00 0.00 N ATOM 639 CA ASN A 43 -1.491 -13.966 4.920 1.00 0.00 C ATOM 640 C ASN A 43 -0.769 -13.024 5.895 1.00 0.00 C ATOM 641 O ASN A 43 0.429 -12.761 5.783 1.00 0.00 O ATOM 642 CB ASN A 43 -1.940 -15.290 5.571 1.00 0.00 C ATOM 643 CG ASN A 43 -0.847 -16.100 6.267 1.00 0.00 C ATOM 644 OD1 ASN A 43 -0.044 -15.584 7.034 1.00 0.00 O ATOM 645 ND2 ASN A 43 -0.805 -17.398 6.047 1.00 0.00 N ATOM 0 H ASN A 43 0.260 -14.332 3.839 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.394 -13.423 4.639 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.719 -15.067 6.300 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.393 -15.915 4.801 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.104 -17.972 6.515 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.473 -17.829 5.408 1.00 0.00 H new ATOM 652 N ALA A 44 -1.544 -12.510 6.846 1.00 0.00 N ATOM 653 CA ALA A 44 -1.147 -11.563 7.877 1.00 0.00 C ATOM 654 C ALA A 44 -1.633 -12.078 9.239 1.00 0.00 C ATOM 655 O ALA A 44 -2.817 -12.394 9.374 1.00 0.00 O ATOM 656 CB ALA A 44 -1.796 -10.220 7.506 1.00 0.00 C ATOM 0 H ALA A 44 -2.530 -12.762 6.919 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.066 -11.443 7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.530 -9.469 8.250 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.440 -9.902 6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.880 -10.335 7.478 1.00 0.00 H new ATOM 662 N THR A 45 -0.747 -12.163 10.236 1.00 0.00 N ATOM 663 CA THR A 45 -1.050 -12.671 11.586 1.00 0.00 C ATOM 664 C THR A 45 -0.681 -11.600 12.596 1.00 0.00 C ATOM 665 O THR A 45 0.444 -11.109 12.590 1.00 0.00 O ATOM 666 CB THR A 45 -0.285 -13.971 11.864 1.00 0.00 C ATOM 667 OG1 THR A 45 -0.631 -14.926 10.889 1.00 0.00 O ATOM 668 CG2 THR A 45 -0.628 -14.571 13.228 1.00 0.00 C ATOM 0 H THR A 45 0.225 -11.875 10.128 1.00 0.00 H new ATOM 0 HA THR A 45 -2.113 -12.899 11.664 1.00 0.00 H new ATOM 0 HB THR A 45 0.777 -13.726 11.844 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.492 -15.332 11.120 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.060 -15.489 13.375 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.375 -13.858 14.013 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.694 -14.794 13.270 1.00 0.00 H new ATOM 676 N ILE A 46 -1.606 -11.223 13.475 1.00 0.00 N ATOM 677 CA ILE A 46 -1.421 -10.088 14.390 1.00 0.00 C ATOM 678 C ILE A 46 -1.988 -10.366 15.785 1.00 0.00 C ATOM 679 O ILE A 46 -3.063 -10.963 15.921 1.00 0.00 O ATOM 680 CB ILE A 46 -1.984 -8.801 13.731 1.00 0.00 C ATOM 681 CG1 ILE A 46 -1.462 -7.526 14.423 1.00 0.00 C ATOM 682 CG2 ILE A 46 -3.523 -8.788 13.651 1.00 0.00 C ATOM 683 CD1 ILE A 46 -1.862 -6.224 13.730 1.00 0.00 C ATOM 0 H ILE A 46 -2.506 -11.692 13.577 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.355 -9.934 14.559 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.613 -8.808 12.706 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.832 -7.506 15.448 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.374 -7.576 14.477 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.855 -7.862 13.181 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.864 -9.638 13.060 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.940 -8.854 14.656 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.454 -5.378 14.282 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.469 -6.217 12.713 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.949 -6.147 13.700 1.00 0.00 H new ATOM 695 N ILE A 47 -1.263 -9.905 16.812 1.00 0.00 N ATOM 696 CA ILE A 47 -1.764 -9.758 18.191 1.00 0.00 C ATOM 697 C ILE A 47 -2.184 -8.304 18.421 1.00 0.00 C ATOM 698 O ILE A 47 -1.407 -7.386 18.139 1.00 0.00 O ATOM 699 CB ILE A 47 -0.725 -10.194 19.258 1.00 0.00 C ATOM 700 CG1 ILE A 47 -0.225 -11.635 18.996 1.00 0.00 C ATOM 701 CG2 ILE A 47 -1.339 -10.064 20.672 1.00 0.00 C ATOM 702 CD1 ILE A 47 0.635 -12.235 20.118 1.00 0.00 C ATOM 0 H ILE A 47 -0.290 -9.617 16.709 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.621 -10.422 18.305 1.00 0.00 H new ATOM 0 HB ILE A 47 0.141 -9.535 19.191 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.089 -12.280 18.836 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.353 -11.641 18.072 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.605 -10.371 21.417 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.625 -9.027 20.851 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.220 -10.701 20.746 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.938 -13.246 19.844 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.521 -11.618 20.266 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.057 -12.268 21.042 1.00 0.00 H new ATOM 714 N TYR A 48 -3.374 -8.103 18.988 1.00 0.00 N ATOM 715 CA TYR A 48 -3.968 -6.798 19.294 1.00 0.00 C ATOM 716 C TYR A 48 -4.712 -6.777 20.649 1.00 0.00 C ATOM 717 O TYR A 48 -5.133 -7.816 21.157 1.00 0.00 O ATOM 718 CB TYR A 48 -4.909 -6.402 18.148 1.00 0.00 C ATOM 719 CG TYR A 48 -6.103 -7.324 17.953 1.00 0.00 C ATOM 720 CD1 TYR A 48 -5.984 -8.454 17.122 1.00 0.00 C ATOM 721 CD2 TYR A 48 -7.326 -7.066 18.605 1.00 0.00 C ATOM 722 CE1 TYR A 48 -7.073 -9.324 16.946 1.00 0.00 C ATOM 723 CE2 TYR A 48 -8.424 -7.929 18.427 1.00 0.00 C ATOM 724 CZ TYR A 48 -8.297 -9.066 17.598 1.00 0.00 C ATOM 725 OH TYR A 48 -9.338 -9.924 17.436 1.00 0.00 O ATOM 0 H TYR A 48 -3.978 -8.879 19.259 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.160 -6.073 19.387 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.275 -5.391 18.330 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -4.336 -6.372 17.221 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.050 -8.653 16.617 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.421 -6.201 19.245 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -6.973 -10.192 16.311 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.361 -7.722 18.923 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.108 -9.605 17.952 1.00 0.00 H new ATOM 735 N ASP A 49 -4.900 -5.582 21.219 1.00 0.00 N ATOM 736 CA ASP A 49 -5.760 -5.320 22.381 1.00 0.00 C ATOM 737 C ASP A 49 -7.227 -5.171 21.929 1.00 0.00 C ATOM 738 O ASP A 49 -7.534 -4.213 21.207 1.00 0.00 O ATOM 739 CB ASP A 49 -5.285 -4.048 23.108 1.00 0.00 C ATOM 740 CG ASP A 49 -6.012 -3.763 24.436 1.00 0.00 C ATOM 741 OD1 ASP A 49 -7.108 -4.307 24.706 1.00 0.00 O ATOM 742 OD2 ASP A 49 -5.459 -2.981 25.236 1.00 0.00 O ATOM 0 H ASP A 49 -4.441 -4.739 20.872 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.695 -6.160 23.072 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.216 -4.135 23.305 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.419 -3.194 22.444 1.00 0.00 H new ATOM 747 N PRO A 50 -8.142 -6.064 22.354 1.00 0.00 N ATOM 748 CA PRO A 50 -9.539 -6.036 21.929 1.00 0.00 C ATOM 749 C PRO A 50 -10.327 -4.815 22.438 1.00 0.00 C ATOM 750 O PRO A 50 -11.412 -4.543 21.924 1.00 0.00 O ATOM 751 CB PRO A 50 -10.128 -7.369 22.406 1.00 0.00 C ATOM 752 CG PRO A 50 -9.256 -7.752 23.603 1.00 0.00 C ATOM 753 CD PRO A 50 -7.888 -7.224 23.198 1.00 0.00 C ATOM 0 HA PRO A 50 -9.609 -5.925 20.847 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.174 -7.263 22.692 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.086 -8.127 21.623 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.611 -7.294 24.526 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.243 -8.830 23.767 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.301 -6.949 24.074 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.320 -7.983 22.659 1.00 0.00 H new ATOM 761 N LYS A 51 -9.804 -4.031 23.394 1.00 0.00 N ATOM 762 CA LYS A 51 -10.399 -2.734 23.759 1.00 0.00 C ATOM 763 C LYS A 51 -10.205 -1.673 22.658 1.00 0.00 C ATOM 764 O LYS A 51 -11.106 -0.876 22.397 1.00 0.00 O ATOM 765 CB LYS A 51 -9.786 -2.226 25.076 1.00 0.00 C ATOM 766 CG LYS A 51 -10.020 -3.152 26.278 1.00 0.00 C ATOM 767 CD LYS A 51 -9.629 -2.486 27.610 1.00 0.00 C ATOM 768 CE LYS A 51 -8.230 -1.849 27.640 1.00 0.00 C ATOM 769 NZ LYS A 51 -7.139 -2.839 27.487 1.00 0.00 N ATOM 0 H LYS A 51 -8.970 -4.272 23.929 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.470 -2.893 23.882 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.713 -2.094 24.937 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.201 -1.244 25.302 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.070 -3.441 26.313 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.442 -4.067 26.148 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.365 -1.717 27.843 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.687 -3.233 28.402 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.156 -1.110 26.842 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.100 -1.316 28.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.505 -2.787 28.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.544 -3.795 27.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.600 -2.631 26.622 1.00 0.00 H new ATOM 783 N LEU A 52 -9.037 -1.660 22.006 1.00 0.00 N ATOM 784 CA LEU A 52 -8.632 -0.654 21.020 1.00 0.00 C ATOM 785 C LEU A 52 -8.792 -1.121 19.561 1.00 0.00 C ATOM 786 O LEU A 52 -8.923 -0.277 18.674 1.00 0.00 O ATOM 787 CB LEU A 52 -7.157 -0.290 21.300 1.00 0.00 C ATOM 788 CG LEU A 52 -6.838 0.688 22.450 1.00 0.00 C ATOM 789 CD1 LEU A 52 -7.572 2.019 22.261 1.00 0.00 C ATOM 790 CD2 LEU A 52 -7.126 0.111 23.841 1.00 0.00 C ATOM 0 H LEU A 52 -8.324 -2.374 22.156 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.290 0.209 21.127 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.620 -1.218 21.497 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.741 0.130 20.384 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.763 0.862 22.403 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.329 2.689 23.086 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.263 2.475 21.320 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.647 1.842 22.242 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.879 0.852 24.601 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.182 -0.147 23.916 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.522 -0.783 23.996 1.00 0.00 H new ATOM 802 N GLN A 53 -8.780 -2.430 19.299 1.00 0.00 N ATOM 803 CA GLN A 53 -8.746 -3.035 17.961 1.00 0.00 C ATOM 804 C GLN A 53 -9.843 -4.107 17.773 1.00 0.00 C ATOM 805 O GLN A 53 -10.466 -4.540 18.749 1.00 0.00 O ATOM 806 CB GLN A 53 -7.336 -3.640 17.760 1.00 0.00 C ATOM 807 CG GLN A 53 -6.404 -2.796 16.874 1.00 0.00 C ATOM 808 CD GLN A 53 -6.711 -2.969 15.388 1.00 0.00 C ATOM 809 OE1 GLN A 53 -7.780 -3.406 15.004 1.00 0.00 O ATOM 810 NE2 GLN A 53 -5.802 -2.661 14.492 1.00 0.00 N ATOM 0 H GLN A 53 -8.794 -3.128 20.043 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.949 -2.270 17.211 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.868 -3.773 18.736 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.439 -4.631 17.318 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.502 -1.745 17.144 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.369 -3.079 17.065 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.898 -2.293 14.788 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.000 -2.790 13.500 1.00 0.00 H new ATOM 819 N THR A 54 -10.055 -4.533 16.516 1.00 0.00 N ATOM 820 CA THR A 54 -11.000 -5.581 16.068 1.00 0.00 C ATOM 821 C THR A 54 -10.525 -6.196 14.745 1.00 0.00 C ATOM 822 O THR A 54 -9.862 -5.503 13.969 1.00 0.00 O ATOM 823 CB THR A 54 -12.428 -5.060 15.816 1.00 0.00 C ATOM 824 OG1 THR A 54 -12.387 -3.812 15.170 1.00 0.00 O ATOM 825 CG2 THR A 54 -13.293 -4.968 17.070 1.00 0.00 C ATOM 0 H THR A 54 -9.540 -4.131 15.732 1.00 0.00 H new ATOM 0 HA THR A 54 -11.024 -6.306 16.881 1.00 0.00 H new ATOM 0 HB THR A 54 -12.902 -5.803 15.175 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.301 -3.494 15.015 1.00 0.00 H new ATOM 0 HG21 THR A 54 -14.281 -4.593 16.804 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.389 -5.957 17.519 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.827 -4.289 17.784 1.00 0.00 H new ATOM 833 N PRO A 55 -10.927 -7.437 14.406 1.00 0.00 N ATOM 834 CA PRO A 55 -10.688 -8.019 13.086 1.00 0.00 C ATOM 835 C PRO A 55 -11.271 -7.167 11.946 1.00 0.00 C ATOM 836 O PRO A 55 -10.648 -7.030 10.894 1.00 0.00 O ATOM 837 CB PRO A 55 -11.310 -9.418 13.134 1.00 0.00 C ATOM 838 CG PRO A 55 -11.405 -9.748 14.619 1.00 0.00 C ATOM 839 CD PRO A 55 -11.635 -8.383 15.255 1.00 0.00 C ATOM 0 HA PRO A 55 -9.621 -8.063 12.869 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.292 -9.431 12.662 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.693 -10.144 12.606 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.225 -10.435 14.829 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.493 -10.218 14.988 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.698 -8.147 15.305 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.254 -8.356 16.276 1.00 0.00 H new ATOM 847 N LYS A 56 -12.421 -6.514 12.162 1.00 0.00 N ATOM 848 CA LYS A 56 -12.964 -5.523 11.227 1.00 0.00 C ATOM 849 C LYS A 56 -12.000 -4.341 10.996 1.00 0.00 C ATOM 850 O LYS A 56 -11.777 -3.947 9.846 1.00 0.00 O ATOM 851 CB LYS A 56 -14.321 -5.050 11.776 1.00 0.00 C ATOM 852 CG LYS A 56 -14.956 -3.900 10.983 1.00 0.00 C ATOM 853 CD LYS A 56 -15.475 -4.311 9.598 1.00 0.00 C ATOM 854 CE LYS A 56 -15.907 -3.105 8.753 1.00 0.00 C ATOM 855 NZ LYS A 56 -16.786 -2.172 9.495 1.00 0.00 N ATOM 0 H LYS A 56 -13.000 -6.659 12.990 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.095 -5.984 10.248 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.011 -5.894 11.785 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -14.191 -4.734 12.811 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -15.782 -3.486 11.561 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.220 -3.105 10.863 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.696 -4.861 9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -16.320 -4.989 9.716 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.021 -2.569 8.412 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.428 -3.458 7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.170 -1.462 8.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.569 -2.703 9.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.237 -1.696 10.239 1.00 0.00 H new ATOM 869 N THR A 57 -11.401 -3.793 12.061 1.00 0.00 N ATOM 870 CA THR A 57 -10.432 -2.684 11.978 1.00 0.00 C ATOM 871 C THR A 57 -9.142 -3.117 11.276 1.00 0.00 C ATOM 872 O THR A 57 -8.556 -2.291 10.575 1.00 0.00 O ATOM 873 CB THR A 57 -10.184 -2.098 13.372 1.00 0.00 C ATOM 874 OG1 THR A 57 -11.397 -1.544 13.818 1.00 0.00 O ATOM 875 CG2 THR A 57 -9.152 -0.969 13.410 1.00 0.00 C ATOM 0 H THR A 57 -11.575 -4.108 13.016 1.00 0.00 H new ATOM 0 HA THR A 57 -10.854 -1.891 11.361 1.00 0.00 H new ATOM 0 HB THR A 57 -9.804 -2.912 13.989 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.896 -2.217 14.327 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.039 -0.614 14.434 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.194 -1.340 13.047 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.487 -0.148 12.776 1.00 0.00 H new ATOM 883 N LEU A 58 -8.751 -4.400 11.355 1.00 0.00 N ATOM 884 CA LEU A 58 -7.656 -4.959 10.549 1.00 0.00 C ATOM 885 C LEU A 58 -8.001 -4.941 9.052 1.00 0.00 C ATOM 886 O LEU A 58 -7.212 -4.422 8.268 1.00 0.00 O ATOM 887 CB LEU A 58 -7.293 -6.391 11.002 1.00 0.00 C ATOM 888 CG LEU A 58 -6.731 -6.574 12.427 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.532 -8.062 12.733 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.453 -5.758 12.646 1.00 0.00 C ATOM 0 H LEU A 58 -9.186 -5.078 11.980 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.784 -4.324 10.707 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.188 -7.007 10.913 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.561 -6.789 10.300 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.462 -6.184 13.135 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.135 -8.176 13.742 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.488 -8.580 12.659 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.831 -8.490 12.017 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.090 -5.915 13.662 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.691 -6.078 11.935 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.667 -4.700 12.497 1.00 0.00 H new ATOM 902 N GLN A 59 -9.176 -5.450 8.657 1.00 0.00 N ATOM 903 CA GLN A 59 -9.644 -5.438 7.258 1.00 0.00 C ATOM 904 C GLN A 59 -9.691 -4.007 6.686 1.00 0.00 C ATOM 905 O GLN A 59 -9.309 -3.780 5.541 1.00 0.00 O ATOM 906 CB GLN A 59 -11.058 -6.044 7.172 1.00 0.00 C ATOM 907 CG GLN A 59 -11.120 -7.549 7.456 1.00 0.00 C ATOM 908 CD GLN A 59 -10.625 -8.375 6.271 1.00 0.00 C ATOM 909 OE1 GLN A 59 -9.471 -8.756 6.201 1.00 0.00 O ATOM 910 NE2 GLN A 59 -11.455 -8.643 5.285 1.00 0.00 N ATOM 0 H GLN A 59 -9.836 -5.886 9.302 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.937 -6.028 6.674 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -11.706 -5.526 7.879 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.460 -5.858 6.176 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.517 -7.777 8.335 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -12.146 -7.832 7.692 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.424 -8.328 5.334 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.129 -9.166 4.472 1.00 0.00 H new ATOM 919 N GLU A 60 -10.139 -3.037 7.487 1.00 0.00 N ATOM 920 CA GLU A 60 -10.243 -1.622 7.124 1.00 0.00 C ATOM 921 C GLU A 60 -8.876 -0.948 6.893 1.00 0.00 C ATOM 922 O GLU A 60 -8.780 -0.031 6.073 1.00 0.00 O ATOM 923 CB GLU A 60 -11.022 -0.943 8.263 1.00 0.00 C ATOM 924 CG GLU A 60 -11.340 0.533 8.029 1.00 0.00 C ATOM 925 CD GLU A 60 -11.902 1.152 9.299 1.00 0.00 C ATOM 926 OE1 GLU A 60 -11.097 1.602 10.149 1.00 0.00 O ATOM 927 OE2 GLU A 60 -13.144 1.218 9.452 1.00 0.00 O ATOM 0 H GLU A 60 -10.450 -3.222 8.440 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.757 -1.522 6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.957 -1.482 8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.446 -1.035 9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.438 1.064 7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.059 0.634 7.216 1.00 0.00 H new ATOM 934 N ALA A 61 -7.804 -1.407 7.555 1.00 0.00 N ATOM 935 CA ALA A 61 -6.451 -0.892 7.324 1.00 0.00 C ATOM 936 C ALA A 61 -5.889 -1.298 5.948 1.00 0.00 C ATOM 937 O ALA A 61 -5.001 -0.620 5.429 1.00 0.00 O ATOM 938 CB ALA A 61 -5.533 -1.355 8.465 1.00 0.00 C ATOM 0 H ALA A 61 -7.852 -2.141 8.261 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.498 0.197 7.315 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.525 -0.975 8.298 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.912 -0.975 9.414 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.510 -2.444 8.494 1.00 0.00 H new ATOM 944 N ILE A 62 -6.407 -2.380 5.353 1.00 0.00 N ATOM 945 CA ILE A 62 -6.069 -2.858 3.998 1.00 0.00 C ATOM 946 C ILE A 62 -6.632 -1.935 2.900 1.00 0.00 C ATOM 947 O ILE A 62 -6.108 -1.899 1.787 1.00 0.00 O ATOM 948 CB ILE A 62 -6.550 -4.326 3.822 1.00 0.00 C ATOM 949 CG1 ILE A 62 -6.195 -5.255 5.009 1.00 0.00 C ATOM 950 CG2 ILE A 62 -6.014 -4.954 2.528 1.00 0.00 C ATOM 951 CD1 ILE A 62 -4.728 -5.223 5.459 1.00 0.00 C ATOM 0 H ILE A 62 -7.098 -2.971 5.815 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.985 -2.832 3.887 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.636 -4.247 3.777 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.823 -4.986 5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.450 -6.279 4.735 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.374 -5.979 2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.362 -4.376 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.924 -4.953 2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.589 -5.909 6.295 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.087 -5.525 4.631 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.465 -4.212 5.771 1.00 0.00 H new ATOM 963 N ASP A 63 -7.680 -1.166 3.209 1.00 0.00 N ATOM 964 CA ASP A 63 -8.342 -0.238 2.282 1.00 0.00 C ATOM 965 C ASP A 63 -7.507 1.024 1.962 1.00 0.00 C ATOM 966 O ASP A 63 -7.876 1.807 1.089 1.00 0.00 O ATOM 967 CB ASP A 63 -9.729 0.116 2.853 1.00 0.00 C ATOM 968 CG ASP A 63 -10.757 0.483 1.777 1.00 0.00 C ATOM 969 OD1 ASP A 63 -11.311 -0.461 1.153 1.00 0.00 O ATOM 970 OD2 ASP A 63 -11.076 1.689 1.620 1.00 0.00 O ATOM 0 H ASP A 63 -8.105 -1.171 4.136 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.451 -0.739 1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.103 -0.731 3.428 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.626 0.951 3.546 1.00 0.00 H new ATOM 975 N ASP A 64 -6.395 1.235 2.676 1.00 0.00 N ATOM 976 CA ASP A 64 -5.564 2.446 2.611 1.00 0.00 C ATOM 977 C ASP A 64 -4.793 2.575 1.286 1.00 0.00 C ATOM 978 O ASP A 64 -4.731 3.666 0.717 1.00 0.00 O ATOM 979 CB ASP A 64 -4.600 2.453 3.811 1.00 0.00 C ATOM 980 CG ASP A 64 -4.353 3.851 4.379 1.00 0.00 C ATOM 981 OD1 ASP A 64 -4.131 4.812 3.608 1.00 0.00 O ATOM 982 OD2 ASP A 64 -4.392 3.983 5.626 1.00 0.00 O ATOM 0 H ASP A 64 -6.036 0.546 3.337 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.225 3.311 2.655 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.004 1.815 4.597 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.648 2.019 3.506 1.00 0.00 H new ATOM 987 N MET A 65 -4.243 1.457 0.793 1.00 0.00 N ATOM 988 CA MET A 65 -3.500 1.330 -0.471 1.00 0.00 C ATOM 989 C MET A 65 -4.371 0.660 -1.551 1.00 0.00 C ATOM 990 O MET A 65 -5.320 1.291 -2.018 1.00 0.00 O ATOM 991 CB MET A 65 -2.100 0.706 -0.245 1.00 0.00 C ATOM 992 CG MET A 65 -2.033 -0.554 0.638 1.00 0.00 C ATOM 993 SD MET A 65 -2.058 -0.204 2.418 1.00 0.00 S ATOM 994 CE MET A 65 -2.377 -1.862 3.054 1.00 0.00 C ATOM 0 H MET A 65 -4.307 0.569 1.291 1.00 0.00 H new ATOM 0 HA MET A 65 -3.281 2.320 -0.871 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.677 0.461 -1.219 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.457 1.466 0.199 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.874 -1.203 0.393 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.124 -1.106 0.399 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.652 -1.801 4.107 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.192 -2.317 2.492 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.479 -2.471 2.948 1.00 0.00 H new ATOM 1004 N GLY A 66 -4.060 -0.563 -2.005 1.00 0.00 N ATOM 1005 CA GLY A 66 -4.855 -1.281 -3.016 1.00 0.00 C ATOM 1006 C GLY A 66 -4.685 -2.794 -2.985 1.00 0.00 C ATOM 1007 O GLY A 66 -4.033 -3.351 -3.866 1.00 0.00 O ATOM 0 H GLY A 66 -3.246 -1.086 -1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.908 -1.042 -2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.579 -0.916 -4.005 1.00 0.00 H new ATOM 1011 N PHE A 67 -5.277 -3.449 -1.985 1.00 0.00 N ATOM 1012 CA PHE A 67 -5.149 -4.892 -1.737 1.00 0.00 C ATOM 1013 C PHE A 67 -6.526 -5.561 -1.529 1.00 0.00 C ATOM 1014 O PHE A 67 -7.578 -4.927 -1.636 1.00 0.00 O ATOM 1015 CB PHE A 67 -4.209 -5.104 -0.528 1.00 0.00 C ATOM 1016 CG PHE A 67 -2.734 -4.745 -0.670 1.00 0.00 C ATOM 1017 CD1 PHE A 67 -2.036 -4.890 -1.887 1.00 0.00 C ATOM 1018 CD2 PHE A 67 -2.028 -4.324 0.477 1.00 0.00 C ATOM 1019 CE1 PHE A 67 -0.665 -4.583 -1.958 1.00 0.00 C ATOM 1020 CE2 PHE A 67 -0.656 -4.021 0.404 1.00 0.00 C ATOM 1021 CZ PHE A 67 0.025 -4.141 -0.818 1.00 0.00 C ATOM 0 H PHE A 67 -5.876 -2.981 -1.305 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.715 -5.374 -2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.610 -4.528 0.306 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.267 -6.155 -0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.556 -5.238 -2.767 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.546 -4.233 1.420 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.140 -4.688 -2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.127 -3.696 1.288 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.075 -3.894 -0.881 1.00 0.00 H new ATOM 1031 N ASP A 68 -6.523 -6.866 -1.260 1.00 0.00 N ATOM 1032 CA ASP A 68 -7.685 -7.674 -0.881 1.00 0.00 C ATOM 1033 C ASP A 68 -7.341 -8.508 0.364 1.00 0.00 C ATOM 1034 O ASP A 68 -6.186 -8.911 0.533 1.00 0.00 O ATOM 1035 CB ASP A 68 -8.073 -8.587 -2.056 1.00 0.00 C ATOM 1036 CG ASP A 68 -9.297 -9.446 -1.733 1.00 0.00 C ATOM 1037 OD1 ASP A 68 -10.398 -8.857 -1.578 1.00 0.00 O ATOM 1038 OD2 ASP A 68 -9.149 -10.682 -1.622 1.00 0.00 O ATOM 0 H ASP A 68 -5.666 -7.418 -1.302 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.530 -7.027 -0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.279 -7.978 -2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.232 -9.234 -2.306 1.00 0.00 H new ATOM 1043 N ALA A 69 -8.334 -8.765 1.224 1.00 0.00 N ATOM 1044 CA ALA A 69 -8.166 -9.538 2.453 1.00 0.00 C ATOM 1045 C ALA A 69 -9.460 -10.235 2.912 1.00 0.00 C ATOM 1046 O ALA A 69 -10.550 -9.678 2.756 1.00 0.00 O ATOM 1047 CB ALA A 69 -7.612 -8.616 3.545 1.00 0.00 C ATOM 0 H ALA A 69 -9.289 -8.436 1.081 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.460 -10.344 2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.482 -9.182 4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.650 -8.214 3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.309 -7.796 3.717 1.00 0.00 H new ATOM 1053 N VAL A 70 -9.332 -11.424 3.512 1.00 0.00 N ATOM 1054 CA VAL A 70 -10.432 -12.249 4.059 1.00 0.00 C ATOM 1055 C VAL A 70 -9.987 -12.856 5.398 1.00 0.00 C ATOM 1056 O VAL A 70 -8.853 -13.314 5.515 1.00 0.00 O ATOM 1057 CB VAL A 70 -10.828 -13.379 3.069 1.00 0.00 C ATOM 1058 CG1 VAL A 70 -11.955 -14.272 3.619 1.00 0.00 C ATOM 1059 CG2 VAL A 70 -11.277 -12.822 1.705 1.00 0.00 C ATOM 0 H VAL A 70 -8.420 -11.863 3.639 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.305 -11.615 4.211 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.925 -13.977 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.195 -15.046 2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.629 -14.738 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.840 -13.665 3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.544 -13.647 1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.142 -12.174 1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.463 -12.250 1.260 1.00 0.00 H new ATOM 1069 N ILE A 71 -10.841 -12.860 6.427 1.00 0.00 N ATOM 1070 CA ILE A 71 -10.462 -13.309 7.785 1.00 0.00 C ATOM 1071 C ILE A 71 -10.499 -14.839 7.895 1.00 0.00 C ATOM 1072 O ILE A 71 -11.499 -15.456 7.523 1.00 0.00 O ATOM 1073 CB ILE A 71 -11.349 -12.634 8.861 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -11.292 -11.090 8.724 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -10.904 -13.086 10.270 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -12.199 -10.343 9.705 1.00 0.00 C ATOM 0 H ILE A 71 -11.811 -12.555 6.350 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.433 -12.998 7.968 1.00 0.00 H new ATOM 0 HB ILE A 71 -12.384 -12.942 8.712 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.264 -10.760 8.873 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.571 -10.815 7.707 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -11.532 -12.607 11.021 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.001 -14.169 10.352 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -9.864 -12.802 10.432 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.102 -9.269 9.545 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.235 -10.642 9.543 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.907 -10.586 10.727 1.00 0.00 H new ATOM 1088 N HIS A 72 -9.448 -15.470 8.436 1.00 0.00 N ATOM 1089 CA HIS A 72 -9.304 -16.928 8.370 1.00 0.00 C ATOM 1090 C HIS A 72 -8.544 -17.534 9.572 1.00 0.00 C ATOM 1091 O HIS A 72 -7.408 -18.002 9.442 1.00 0.00 O ATOM 1092 CB HIS A 72 -8.671 -17.295 7.013 1.00 0.00 C ATOM 1093 CG HIS A 72 -8.855 -18.755 6.707 1.00 0.00 C ATOM 1094 ND1 HIS A 72 -7.889 -19.721 6.538 1.00 0.00 N ATOM 1095 CD2 HIS A 72 -10.067 -19.374 6.633 1.00 0.00 C ATOM 1096 CE1 HIS A 72 -8.516 -20.900 6.366 1.00 0.00 C ATOM 1097 NE2 HIS A 72 -9.853 -20.741 6.427 1.00 0.00 N ATOM 0 H HIS A 72 -8.688 -14.994 8.922 1.00 0.00 H new ATOM 0 HA HIS A 72 -10.295 -17.377 8.441 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.123 -16.695 6.223 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.608 -17.054 7.027 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.029 -18.891 6.719 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.016 -21.843 6.202 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.563 -21.468 6.341 1.00 0.00 H new ATOM 1105 N ASN A 73 -9.183 -17.548 10.748 1.00 0.00 N ATOM 1106 CA ASN A 73 -8.604 -17.971 12.036 1.00 0.00 C ATOM 1107 C ASN A 73 -9.324 -19.166 12.690 1.00 0.00 C ATOM 1108 O ASN A 73 -8.633 -19.974 13.350 1.00 0.00 O ATOM 1109 CB ASN A 73 -8.590 -16.727 12.950 1.00 0.00 C ATOM 1110 CG ASN A 73 -7.863 -16.951 14.265 1.00 0.00 C ATOM 1111 OD1 ASN A 73 -6.720 -17.388 14.304 1.00 0.00 O ATOM 1112 ND2 ASN A 73 -8.489 -16.658 15.374 1.00 0.00 N ATOM 1113 OXT ASN A 73 -10.564 -19.294 12.560 1.00 0.00 O ATOM 0 H ASN A 73 -10.156 -17.254 10.836 1.00 0.00 H new ATOM 0 HA ASN A 73 -7.595 -18.347 11.867 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.118 -15.901 12.419 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.617 -16.427 13.158 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.025 -16.793 16.272 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.441 -16.294 15.341 1.00 0.00 H new TER 1120 ASN A 73 ATOM 1121 N MET B 74 0.234 19.363 -23.132 1.00 0.00 N ATOM 1122 CA MET B 74 0.259 19.373 -21.652 1.00 0.00 C ATOM 1123 C MET B 74 1.604 18.870 -21.117 1.00 0.00 C ATOM 1124 O MET B 74 2.278 18.101 -21.808 1.00 0.00 O ATOM 1125 CB MET B 74 -0.891 18.547 -21.051 1.00 0.00 C ATOM 1126 CG MET B 74 -2.181 19.364 -20.941 1.00 0.00 C ATOM 1127 SD MET B 74 -2.085 20.767 -19.790 1.00 0.00 S ATOM 1128 CE MET B 74 -3.744 21.444 -20.040 1.00 0.00 C ATOM 0 HA MET B 74 0.124 20.410 -21.343 1.00 0.00 H new ATOM 0 HB2 MET B 74 -1.069 17.668 -21.670 1.00 0.00 H new ATOM 0 HB3 MET B 74 -0.603 18.188 -20.063 1.00 0.00 H new ATOM 0 HG2 MET B 74 -2.445 19.739 -21.930 1.00 0.00 H new ATOM 0 HG3 MET B 74 -2.989 18.704 -20.624 1.00 0.00 H new ATOM 0 HE1 MET B 74 -3.877 22.323 -19.410 1.00 0.00 H new ATOM 0 HE2 MET B 74 -3.869 21.725 -21.086 1.00 0.00 H new ATOM 0 HE3 MET B 74 -4.487 20.692 -19.775 1.00 0.00 H new ATOM 1140 N PRO B 75 1.998 19.261 -19.888 1.00 0.00 N ATOM 1141 CA PRO B 75 3.153 18.702 -19.189 1.00 0.00 C ATOM 1142 C PRO B 75 2.993 17.213 -18.863 1.00 0.00 C ATOM 1143 O PRO B 75 1.882 16.688 -18.795 1.00 0.00 O ATOM 1144 CB PRO B 75 3.296 19.508 -17.890 1.00 0.00 C ATOM 1145 CG PRO B 75 2.510 20.789 -18.153 1.00 0.00 C ATOM 1146 CD PRO B 75 1.399 20.317 -19.085 1.00 0.00 C ATOM 0 HA PRO B 75 4.034 18.772 -19.827 1.00 0.00 H new ATOM 0 HB2 PRO B 75 2.893 18.962 -17.037 1.00 0.00 H new ATOM 0 HB3 PRO B 75 4.341 19.721 -17.667 1.00 0.00 H new ATOM 0 HG2 PRO B 75 2.112 21.216 -17.232 1.00 0.00 H new ATOM 0 HG3 PRO B 75 3.130 21.556 -18.618 1.00 0.00 H new ATOM 0 HD2 PRO B 75 0.543 19.946 -18.521 1.00 0.00 H new ATOM 0 HD3 PRO B 75 1.038 21.132 -19.712 1.00 0.00 H new ATOM 1154 N LYS B 76 4.120 16.552 -18.595 1.00 0.00 N ATOM 1155 CA LYS B 76 4.178 15.285 -17.856 1.00 0.00 C ATOM 1156 C LYS B 76 5.301 15.275 -16.805 1.00 0.00 C ATOM 1157 O LYS B 76 6.246 16.062 -16.853 1.00 0.00 O ATOM 1158 CB LYS B 76 4.213 14.065 -18.800 1.00 0.00 C ATOM 1159 CG LYS B 76 5.255 14.091 -19.928 1.00 0.00 C ATOM 1160 CD LYS B 76 4.599 14.037 -21.314 1.00 0.00 C ATOM 1161 CE LYS B 76 3.819 15.324 -21.609 1.00 0.00 C ATOM 1162 NZ LYS B 76 4.720 16.469 -21.882 1.00 0.00 N ATOM 0 H LYS B 76 5.037 16.887 -18.890 1.00 0.00 H new ATOM 0 HA LYS B 76 3.249 15.199 -17.293 1.00 0.00 H new ATOM 0 HB2 LYS B 76 4.388 13.174 -18.197 1.00 0.00 H new ATOM 0 HB3 LYS B 76 3.227 13.956 -19.251 1.00 0.00 H new ATOM 0 HG2 LYS B 76 5.856 14.996 -19.846 1.00 0.00 H new ATOM 0 HG3 LYS B 76 5.934 13.246 -19.815 1.00 0.00 H new ATOM 0 HD2 LYS B 76 5.364 13.890 -22.076 1.00 0.00 H new ATOM 0 HD3 LYS B 76 3.927 13.181 -21.368 1.00 0.00 H new ATOM 0 HE2 LYS B 76 3.166 15.164 -22.467 1.00 0.00 H new ATOM 0 HE3 LYS B 76 3.177 15.562 -20.760 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 4.156 17.292 -22.175 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 5.253 16.704 -21.021 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 5.383 16.215 -22.642 1.00 0.00 H new ATOM 1176 N HIS B 77 5.157 14.408 -15.808 1.00 0.00 N ATOM 1177 CA HIS B 77 5.877 14.477 -14.537 1.00 0.00 C ATOM 1178 C HIS B 77 6.512 13.111 -14.200 1.00 0.00 C ATOM 1179 O HIS B 77 5.832 12.086 -14.292 1.00 0.00 O ATOM 1180 CB HIS B 77 4.856 14.892 -13.462 1.00 0.00 C ATOM 1181 CG HIS B 77 4.167 16.216 -13.708 1.00 0.00 C ATOM 1182 ND1 HIS B 77 4.554 17.450 -13.235 1.00 0.00 N ATOM 1183 CD2 HIS B 77 3.008 16.405 -14.418 1.00 0.00 C ATOM 1184 CE1 HIS B 77 3.651 18.354 -13.652 1.00 0.00 C ATOM 1185 NE2 HIS B 77 2.673 17.766 -14.368 1.00 0.00 N ATOM 0 H HIS B 77 4.518 13.614 -15.862 1.00 0.00 H new ATOM 0 HA HIS B 77 6.690 15.201 -14.589 1.00 0.00 H new ATOM 0 HB2 HIS B 77 4.097 14.114 -13.385 1.00 0.00 H new ATOM 0 HB3 HIS B 77 5.364 14.938 -12.499 1.00 0.00 H new ATOM 0 HD2 HIS B 77 2.448 15.636 -14.929 1.00 0.00 H new ATOM 0 HE1 HIS B 77 3.703 19.412 -13.441 1.00 0.00 H new ATOM 0 HE2 HIS B 77 1.859 18.216 -14.786 1.00 0.00 H new ATOM 1193 N GLU B 78 7.792 13.094 -13.805 1.00 0.00 N ATOM 1194 CA GLU B 78 8.553 11.881 -13.480 1.00 0.00 C ATOM 1195 C GLU B 78 8.735 11.747 -11.954 1.00 0.00 C ATOM 1196 O GLU B 78 9.204 12.667 -11.279 1.00 0.00 O ATOM 1197 CB GLU B 78 9.930 11.867 -14.183 1.00 0.00 C ATOM 1198 CG GLU B 78 9.904 12.066 -15.713 1.00 0.00 C ATOM 1199 CD GLU B 78 11.296 11.949 -16.362 1.00 0.00 C ATOM 1200 OE1 GLU B 78 12.219 12.716 -15.987 1.00 0.00 O ATOM 1201 OE2 GLU B 78 11.486 11.098 -17.264 1.00 0.00 O ATOM 0 H GLU B 78 8.341 13.947 -13.700 1.00 0.00 H new ATOM 0 HA GLU B 78 7.981 11.029 -13.846 1.00 0.00 H new ATOM 0 HB2 GLU B 78 10.549 12.649 -13.744 1.00 0.00 H new ATOM 0 HB3 GLU B 78 10.418 10.916 -13.967 1.00 0.00 H new ATOM 0 HG2 GLU B 78 9.239 11.326 -16.158 1.00 0.00 H new ATOM 0 HG3 GLU B 78 9.486 13.047 -15.939 1.00 0.00 H new ATOM 1208 N PHE B 79 8.384 10.577 -11.416 1.00 0.00 N ATOM 1209 CA PHE B 79 8.441 10.225 -9.994 1.00 0.00 C ATOM 1210 C PHE B 79 9.154 8.878 -9.805 1.00 0.00 C ATOM 1211 O PHE B 79 9.039 7.998 -10.659 1.00 0.00 O ATOM 1212 CB PHE B 79 7.010 10.092 -9.437 1.00 0.00 C ATOM 1213 CG PHE B 79 6.082 11.280 -9.628 1.00 0.00 C ATOM 1214 CD1 PHE B 79 5.334 11.411 -10.816 1.00 0.00 C ATOM 1215 CD2 PHE B 79 5.899 12.210 -8.587 1.00 0.00 C ATOM 1216 CE1 PHE B 79 4.414 12.464 -10.963 1.00 0.00 C ATOM 1217 CE2 PHE B 79 4.977 13.262 -8.736 1.00 0.00 C ATOM 1218 CZ PHE B 79 4.235 13.391 -9.922 1.00 0.00 C ATOM 0 H PHE B 79 8.034 9.809 -11.989 1.00 0.00 H new ATOM 0 HA PHE B 79 8.986 11.009 -9.468 1.00 0.00 H new ATOM 0 HB2 PHE B 79 6.546 9.222 -9.900 1.00 0.00 H new ATOM 0 HB3 PHE B 79 7.080 9.885 -8.369 1.00 0.00 H new ATOM 0 HD1 PHE B 79 5.468 10.699 -11.617 1.00 0.00 H new ATOM 0 HD2 PHE B 79 6.467 12.116 -7.673 1.00 0.00 H new ATOM 0 HE1 PHE B 79 3.845 12.560 -11.876 1.00 0.00 H new ATOM 0 HE2 PHE B 79 4.839 13.973 -7.935 1.00 0.00 H new ATOM 0 HZ PHE B 79 3.529 14.201 -10.033 1.00 0.00 H new ATOM 1228 N SER B 80 9.800 8.657 -8.660 1.00 0.00 N ATOM 1229 CA SER B 80 10.355 7.348 -8.279 1.00 0.00 C ATOM 1230 C SER B 80 9.923 6.920 -6.869 1.00 0.00 C ATOM 1231 O SER B 80 9.900 7.722 -5.932 1.00 0.00 O ATOM 1232 CB SER B 80 11.880 7.314 -8.436 1.00 0.00 C ATOM 1233 OG SER B 80 12.199 7.216 -9.814 1.00 0.00 O ATOM 0 H SER B 80 9.957 9.384 -7.962 1.00 0.00 H new ATOM 0 HA SER B 80 9.937 6.617 -8.971 1.00 0.00 H new ATOM 0 HB2 SER B 80 12.323 8.214 -8.010 1.00 0.00 H new ATOM 0 HB3 SER B 80 12.296 6.466 -7.892 1.00 0.00 H new ATOM 0 HG SER B 80 13.173 7.195 -9.924 1.00 0.00 H new ATOM 1239 N VAL B 81 9.569 5.641 -6.721 1.00 0.00 N ATOM 1240 CA VAL B 81 8.905 5.071 -5.535 1.00 0.00 C ATOM 1241 C VAL B 81 9.728 3.929 -4.941 1.00 0.00 C ATOM 1242 O VAL B 81 10.437 3.225 -5.656 1.00 0.00 O ATOM 1243 CB VAL B 81 7.477 4.553 -5.851 1.00 0.00 C ATOM 1244 CG1 VAL B 81 6.498 5.725 -6.010 1.00 0.00 C ATOM 1245 CG2 VAL B 81 7.412 3.671 -7.111 1.00 0.00 C ATOM 0 H VAL B 81 9.741 4.945 -7.447 1.00 0.00 H new ATOM 0 HA VAL B 81 8.825 5.882 -4.811 1.00 0.00 H new ATOM 0 HB VAL B 81 7.192 3.933 -5.001 1.00 0.00 H new ATOM 0 HG11 VAL B 81 5.503 5.340 -6.231 1.00 0.00 H new ATOM 0 HG12 VAL B 81 6.467 6.301 -5.085 1.00 0.00 H new ATOM 0 HG13 VAL B 81 6.828 6.367 -6.827 1.00 0.00 H new ATOM 0 HG21 VAL B 81 6.385 3.343 -7.273 1.00 0.00 H new ATOM 0 HG22 VAL B 81 7.751 4.244 -7.974 1.00 0.00 H new ATOM 0 HG23 VAL B 81 8.054 2.800 -6.979 1.00 0.00 H new ATOM 1255 N ASP B 82 9.578 3.710 -3.633 1.00 0.00 N ATOM 1256 CA ASP B 82 10.216 2.640 -2.851 1.00 0.00 C ATOM 1257 C ASP B 82 9.591 1.241 -3.108 1.00 0.00 C ATOM 1258 O ASP B 82 9.448 0.413 -2.210 1.00 0.00 O ATOM 1259 CB ASP B 82 10.179 3.093 -1.382 1.00 0.00 C ATOM 1260 CG ASP B 82 11.066 2.274 -0.439 1.00 0.00 C ATOM 1261 OD1 ASP B 82 12.310 2.319 -0.593 1.00 0.00 O ATOM 1262 OD2 ASP B 82 10.507 1.617 0.472 1.00 0.00 O ATOM 0 H ASP B 82 8.979 4.302 -3.058 1.00 0.00 H new ATOM 0 HA ASP B 82 11.251 2.494 -3.162 1.00 0.00 H new ATOM 0 HB2 ASP B 82 10.484 4.138 -1.330 1.00 0.00 H new ATOM 0 HB3 ASP B 82 9.150 3.043 -1.026 1.00 0.00 H new ATOM 1267 N MET B 83 9.195 0.975 -4.358 1.00 0.00 N ATOM 1268 CA MET B 83 8.641 -0.287 -4.882 1.00 0.00 C ATOM 1269 C MET B 83 9.757 -1.328 -5.095 1.00 0.00 C ATOM 1270 O MET B 83 9.968 -1.831 -6.201 1.00 0.00 O ATOM 1271 CB MET B 83 7.831 0.055 -6.150 1.00 0.00 C ATOM 1272 CG MET B 83 7.100 -1.120 -6.819 1.00 0.00 C ATOM 1273 SD MET B 83 5.551 -0.666 -7.641 1.00 0.00 S ATOM 1274 CE MET B 83 6.190 0.444 -8.916 1.00 0.00 C ATOM 0 H MET B 83 9.256 1.686 -5.087 1.00 0.00 H new ATOM 0 HA MET B 83 7.964 -0.760 -4.170 1.00 0.00 H new ATOM 0 HB2 MET B 83 7.095 0.816 -5.892 1.00 0.00 H new ATOM 0 HB3 MET B 83 8.507 0.500 -6.880 1.00 0.00 H new ATOM 0 HG2 MET B 83 7.766 -1.577 -7.551 1.00 0.00 H new ATOM 0 HG3 MET B 83 6.888 -1.878 -6.064 1.00 0.00 H new ATOM 0 HE1 MET B 83 5.365 0.805 -9.531 1.00 0.00 H new ATOM 0 HE2 MET B 83 6.689 1.291 -8.445 1.00 0.00 H new ATOM 0 HE3 MET B 83 6.902 -0.093 -9.543 1.00 0.00 H new ATOM 1284 N THR B 84 10.530 -1.584 -4.031 1.00 0.00 N ATOM 1285 CA THR B 84 11.758 -2.397 -4.020 1.00 0.00 C ATOM 1286 C THR B 84 11.525 -3.815 -4.533 1.00 0.00 C ATOM 1287 O THR B 84 12.384 -4.327 -5.247 1.00 0.00 O ATOM 1288 CB THR B 84 12.355 -2.390 -2.610 1.00 0.00 C ATOM 1289 OG1 THR B 84 12.605 -1.048 -2.255 1.00 0.00 O ATOM 1290 CG2 THR B 84 13.680 -3.137 -2.520 1.00 0.00 C ATOM 0 H THR B 84 10.306 -1.212 -3.108 1.00 0.00 H new ATOM 0 HA THR B 84 12.473 -1.951 -4.711 1.00 0.00 H new ATOM 0 HB THR B 84 11.643 -2.885 -1.949 1.00 0.00 H new ATOM 0 HG1 THR B 84 12.987 -1.014 -1.353 1.00 0.00 H new ATOM 0 HG21 THR B 84 14.052 -3.096 -1.496 1.00 0.00 H new ATOM 0 HG22 THR B 84 13.532 -4.177 -2.811 1.00 0.00 H new ATOM 0 HG23 THR B 84 14.405 -2.673 -3.188 1.00 0.00 H new ATOM 1298 N CYS B 85 10.358 -4.395 -4.248 1.00 0.00 N ATOM 1299 CA CYS B 85 9.893 -5.658 -4.791 1.00 0.00 C ATOM 1300 C CYS B 85 9.288 -5.509 -6.218 1.00 0.00 C ATOM 1301 O CYS B 85 9.986 -5.089 -7.146 1.00 0.00 O ATOM 1302 CB CYS B 85 8.995 -6.275 -3.705 1.00 0.00 C ATOM 1303 SG CYS B 85 7.435 -5.379 -3.446 1.00 0.00 S ATOM 0 H CYS B 85 9.688 -3.974 -3.605 1.00 0.00 H new ATOM 0 HA CYS B 85 10.702 -6.359 -4.994 1.00 0.00 H new ATOM 0 HB2 CYS B 85 8.770 -7.307 -3.976 1.00 0.00 H new ATOM 0 HB3 CYS B 85 9.546 -6.305 -2.765 1.00 0.00 H new ATOM 1308 N GLY B 86 8.016 -5.880 -6.406 1.00 0.00 N ATOM 1309 CA GLY B 86 7.327 -5.816 -7.702 1.00 0.00 C ATOM 1310 C GLY B 86 5.812 -6.029 -7.692 1.00 0.00 C ATOM 1311 O GLY B 86 5.143 -5.578 -8.623 1.00 0.00 O ATOM 0 H GLY B 86 7.428 -6.238 -5.653 1.00 0.00 H new ATOM 0 HA2 GLY B 86 7.530 -4.841 -8.146 1.00 0.00 H new ATOM 0 HA3 GLY B 86 7.770 -6.564 -8.359 1.00 0.00 H new ATOM 1315 N GLY B 87 5.235 -6.654 -6.659 1.00 0.00 N ATOM 1316 CA GLY B 87 3.788 -6.909 -6.576 1.00 0.00 C ATOM 1317 C GLY B 87 2.987 -5.614 -6.461 1.00 0.00 C ATOM 1318 O GLY B 87 1.943 -5.482 -7.100 1.00 0.00 O ATOM 0 H GLY B 87 5.758 -6.999 -5.854 1.00 0.00 H new ATOM 0 HA2 GLY B 87 3.465 -7.458 -7.460 1.00 0.00 H new ATOM 0 HA3 GLY B 87 3.580 -7.542 -5.714 1.00 0.00 H new ATOM 1322 N CYS B 88 3.513 -4.616 -5.738 1.00 0.00 N ATOM 1323 CA CYS B 88 2.917 -3.276 -5.570 1.00 0.00 C ATOM 1324 C CYS B 88 2.465 -2.572 -6.868 1.00 0.00 C ATOM 1325 O CYS B 88 1.581 -1.717 -6.811 1.00 0.00 O ATOM 1326 CB CYS B 88 3.909 -2.386 -4.793 1.00 0.00 C ATOM 1327 SG CYS B 88 3.157 -1.866 -3.228 1.00 0.00 S ATOM 0 H CYS B 88 4.395 -4.719 -5.236 1.00 0.00 H new ATOM 0 HA CYS B 88 1.991 -3.430 -5.016 1.00 0.00 H new ATOM 0 HB2 CYS B 88 4.832 -2.933 -4.601 1.00 0.00 H new ATOM 0 HB3 CYS B 88 4.174 -1.513 -5.389 1.00 0.00 H new ATOM 0 HG CYS B 88 3.155 -2.864 -2.395 1.00 0.00 H new ATOM 1333 N ALA B 89 3.006 -2.922 -8.042 1.00 0.00 N ATOM 1334 CA ALA B 89 2.603 -2.330 -9.326 1.00 0.00 C ATOM 1335 C ALA B 89 1.105 -2.535 -9.651 1.00 0.00 C ATOM 1336 O ALA B 89 0.505 -1.703 -10.339 1.00 0.00 O ATOM 1337 CB ALA B 89 3.504 -2.904 -10.423 1.00 0.00 C ATOM 0 H ALA B 89 3.738 -3.626 -8.129 1.00 0.00 H new ATOM 0 HA ALA B 89 2.729 -1.249 -9.263 1.00 0.00 H new ATOM 0 HB1 ALA B 89 3.222 -2.478 -11.386 1.00 0.00 H new ATOM 0 HB2 ALA B 89 4.543 -2.656 -10.207 1.00 0.00 H new ATOM 0 HB3 ALA B 89 3.389 -3.987 -10.458 1.00 0.00 H new ATOM 1343 N GLU B 90 0.482 -3.594 -9.121 1.00 0.00 N ATOM 1344 CA GLU B 90 -0.973 -3.765 -9.150 1.00 0.00 C ATOM 1345 C GLU B 90 -1.681 -2.752 -8.226 1.00 0.00 C ATOM 1346 O GLU B 90 -2.506 -1.981 -8.716 1.00 0.00 O ATOM 1347 CB GLU B 90 -1.333 -5.228 -8.847 1.00 0.00 C ATOM 1348 CG GLU B 90 -2.847 -5.445 -8.750 1.00 0.00 C ATOM 1349 CD GLU B 90 -3.205 -6.923 -8.854 1.00 0.00 C ATOM 1350 OE1 GLU B 90 -2.717 -7.738 -8.037 1.00 0.00 O ATOM 1351 OE2 GLU B 90 -3.987 -7.272 -9.767 1.00 0.00 O ATOM 0 H GLU B 90 0.975 -4.358 -8.659 1.00 0.00 H new ATOM 0 HA GLU B 90 -1.341 -3.545 -10.152 1.00 0.00 H new ATOM 0 HB2 GLU B 90 -0.925 -5.870 -9.628 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -0.864 -5.529 -7.910 1.00 0.00 H new ATOM 0 HG2 GLU B 90 -3.213 -5.046 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU B 90 -3.347 -4.891 -9.545 1.00 0.00 H new ATOM 1358 N ALA B 91 -1.334 -2.667 -6.935 1.00 0.00 N ATOM 1359 CA ALA B 91 -1.873 -1.668 -6.003 1.00 0.00 C ATOM 1360 C ALA B 91 -1.694 -0.226 -6.511 1.00 0.00 C ATOM 1361 O ALA B 91 -2.646 0.554 -6.481 1.00 0.00 O ATOM 1362 CB ALA B 91 -1.208 -1.861 -4.634 1.00 0.00 C ATOM 0 H ALA B 91 -0.661 -3.300 -6.502 1.00 0.00 H new ATOM 0 HA ALA B 91 -2.949 -1.821 -5.918 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -1.600 -1.125 -3.932 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -1.421 -2.864 -4.264 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -0.130 -1.732 -4.732 1.00 0.00 H new ATOM 1368 N VAL B 92 -0.515 0.107 -7.044 1.00 0.00 N ATOM 1369 CA VAL B 92 -0.240 1.396 -7.709 1.00 0.00 C ATOM 1370 C VAL B 92 -1.238 1.643 -8.850 1.00 0.00 C ATOM 1371 O VAL B 92 -1.801 2.731 -8.929 1.00 0.00 O ATOM 1372 CB VAL B 92 1.221 1.478 -8.216 1.00 0.00 C ATOM 1373 CG1 VAL B 92 1.482 2.696 -9.123 1.00 0.00 C ATOM 1374 CG2 VAL B 92 2.205 1.562 -7.036 1.00 0.00 C ATOM 0 H VAL B 92 0.292 -0.517 -7.028 1.00 0.00 H new ATOM 0 HA VAL B 92 -0.368 2.185 -6.968 1.00 0.00 H new ATOM 0 HB VAL B 92 1.375 0.569 -8.797 1.00 0.00 H new ATOM 0 HG11 VAL B 92 2.524 2.694 -9.444 1.00 0.00 H new ATOM 0 HG12 VAL B 92 0.833 2.644 -9.997 1.00 0.00 H new ATOM 0 HG13 VAL B 92 1.274 3.612 -8.571 1.00 0.00 H new ATOM 0 HG21 VAL B 92 3.225 1.619 -7.416 1.00 0.00 H new ATOM 0 HG22 VAL B 92 1.988 2.451 -6.444 1.00 0.00 H new ATOM 0 HG23 VAL B 92 2.100 0.675 -6.411 1.00 0.00 H new ATOM 1384 N SER B 93 -1.531 0.643 -9.691 1.00 0.00 N ATOM 1385 CA SER B 93 -2.548 0.788 -10.746 1.00 0.00 C ATOM 1386 C SER B 93 -3.966 1.013 -10.197 1.00 0.00 C ATOM 1387 O SER B 93 -4.715 1.799 -10.779 1.00 0.00 O ATOM 1388 CB SER B 93 -2.516 -0.402 -11.718 1.00 0.00 C ATOM 1389 OG SER B 93 -3.115 -1.585 -11.210 1.00 0.00 O ATOM 0 H SER B 93 -1.082 -0.272 -9.664 1.00 0.00 H new ATOM 0 HA SER B 93 -2.285 1.692 -11.295 1.00 0.00 H new ATOM 0 HB2 SER B 93 -3.024 -0.118 -12.639 1.00 0.00 H new ATOM 0 HB3 SER B 93 -1.479 -0.616 -11.979 1.00 0.00 H new ATOM 0 HG SER B 93 -3.198 -1.517 -10.236 1.00 0.00 H new ATOM 1395 N ARG B 94 -4.326 0.397 -9.059 1.00 0.00 N ATOM 1396 CA ARG B 94 -5.613 0.632 -8.384 1.00 0.00 C ATOM 1397 C ARG B 94 -5.679 2.029 -7.757 1.00 0.00 C ATOM 1398 O ARG B 94 -6.667 2.734 -7.958 1.00 0.00 O ATOM 1399 CB ARG B 94 -5.887 -0.438 -7.313 1.00 0.00 C ATOM 1400 CG ARG B 94 -6.210 -1.816 -7.909 1.00 0.00 C ATOM 1401 CD ARG B 94 -6.529 -2.866 -6.830 1.00 0.00 C ATOM 1402 NE ARG B 94 -7.689 -2.491 -5.997 1.00 0.00 N ATOM 1403 CZ ARG B 94 -8.135 -3.128 -4.922 1.00 0.00 C ATOM 1404 NH1 ARG B 94 -7.593 -4.240 -4.477 1.00 0.00 N ATOM 1405 NH2 ARG B 94 -9.154 -2.620 -4.269 1.00 0.00 N ATOM 0 H ARG B 94 -3.731 -0.279 -8.580 1.00 0.00 H new ATOM 0 HA ARG B 94 -6.386 0.565 -9.150 1.00 0.00 H new ATOM 0 HB2 ARG B 94 -5.016 -0.525 -6.663 1.00 0.00 H new ATOM 0 HB3 ARG B 94 -6.720 -0.114 -6.689 1.00 0.00 H new ATOM 0 HG2 ARG B 94 -7.060 -1.725 -8.585 1.00 0.00 H new ATOM 0 HG3 ARG B 94 -5.364 -2.158 -8.505 1.00 0.00 H new ATOM 0 HD2 ARG B 94 -6.725 -3.825 -7.309 1.00 0.00 H new ATOM 0 HD3 ARG B 94 -5.656 -3.001 -6.191 1.00 0.00 H new ATOM 0 HE ARG B 94 -8.201 -1.655 -6.277 1.00 0.00 H new ATOM 0 HH11 ARG B 94 -6.795 -4.648 -4.963 1.00 0.00 H new ATOM 0 HH12 ARG B 94 -7.971 -4.694 -3.646 1.00 0.00 H new ATOM 0 HH21 ARG B 94 -9.585 -1.754 -4.591 1.00 0.00 H new ATOM 0 HH22 ARG B 94 -9.515 -3.092 -3.440 1.00 0.00 H new ATOM 1419 N VAL B 95 -4.631 2.456 -7.049 1.00 0.00 N ATOM 1420 CA VAL B 95 -4.560 3.769 -6.379 1.00 0.00 C ATOM 1421 C VAL B 95 -4.572 4.926 -7.394 1.00 0.00 C ATOM 1422 O VAL B 95 -5.286 5.906 -7.189 1.00 0.00 O ATOM 1423 CB VAL B 95 -3.329 3.840 -5.441 1.00 0.00 C ATOM 1424 CG1 VAL B 95 -3.068 5.251 -4.890 1.00 0.00 C ATOM 1425 CG2 VAL B 95 -3.510 2.900 -4.235 1.00 0.00 C ATOM 0 H VAL B 95 -3.790 1.894 -6.919 1.00 0.00 H new ATOM 0 HA VAL B 95 -5.453 3.880 -5.765 1.00 0.00 H new ATOM 0 HB VAL B 95 -2.479 3.541 -6.055 1.00 0.00 H new ATOM 0 HG11 VAL B 95 -2.193 5.232 -4.241 1.00 0.00 H new ATOM 0 HG12 VAL B 95 -2.891 5.938 -5.718 1.00 0.00 H new ATOM 0 HG13 VAL B 95 -3.935 5.585 -4.320 1.00 0.00 H new ATOM 0 HG21 VAL B 95 -2.635 2.965 -3.589 1.00 0.00 H new ATOM 0 HG22 VAL B 95 -4.397 3.194 -3.675 1.00 0.00 H new ATOM 0 HG23 VAL B 95 -3.626 1.875 -4.587 1.00 0.00 H new ATOM 1435 N LEU B 96 -3.858 4.806 -8.522 1.00 0.00 N ATOM 1436 CA LEU B 96 -3.909 5.795 -9.611 1.00 0.00 C ATOM 1437 C LEU B 96 -5.288 5.841 -10.287 1.00 0.00 C ATOM 1438 O LEU B 96 -5.776 6.926 -10.603 1.00 0.00 O ATOM 1439 CB LEU B 96 -2.787 5.502 -10.627 1.00 0.00 C ATOM 1440 CG LEU B 96 -1.364 5.821 -10.119 1.00 0.00 C ATOM 1441 CD1 LEU B 96 -0.335 5.342 -11.151 1.00 0.00 C ATOM 1442 CD2 LEU B 96 -1.151 7.323 -9.861 1.00 0.00 C ATOM 0 H LEU B 96 -3.230 4.023 -8.706 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.748 6.785 -9.184 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.832 4.449 -10.906 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.974 6.080 -11.532 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.236 5.301 -9.170 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.670 5.566 -10.794 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.437 4.266 -11.295 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.506 5.852 -12.099 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.134 7.491 -9.506 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.308 7.877 -10.787 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -1.860 7.667 -9.108 1.00 0.00 H new ATOM 1454 N ASN B 97 -5.969 4.699 -10.429 1.00 0.00 N ATOM 1455 CA ASN B 97 -7.339 4.641 -10.953 1.00 0.00 C ATOM 1456 C ASN B 97 -8.363 5.395 -10.077 1.00 0.00 C ATOM 1457 O ASN B 97 -9.416 5.779 -10.584 1.00 0.00 O ATOM 1458 CB ASN B 97 -7.734 3.171 -11.154 1.00 0.00 C ATOM 1459 CG ASN B 97 -8.927 2.980 -12.081 1.00 0.00 C ATOM 1460 OD1 ASN B 97 -8.832 3.200 -13.285 1.00 0.00 O ATOM 1461 ND2 ASN B 97 -10.063 2.557 -11.561 1.00 0.00 N ATOM 0 H ASN B 97 -5.585 3.786 -10.183 1.00 0.00 H new ATOM 0 HA ASN B 97 -7.355 5.160 -11.911 1.00 0.00 H new ATOM 0 HB2 ASN B 97 -6.880 2.626 -11.558 1.00 0.00 H new ATOM 0 HB3 ASN B 97 -7.964 2.730 -10.184 1.00 0.00 H new ATOM 0 HD21 ASN B 97 -10.875 2.409 -12.161 1.00 0.00 H new ATOM 0 HD22 ASN B 97 -10.130 2.378 -10.559 1.00 0.00 H new ATOM 1468 N LYS B 98 -8.057 5.688 -8.800 1.00 0.00 N ATOM 1469 CA LYS B 98 -8.923 6.517 -7.945 1.00 0.00 C ATOM 1470 C LYS B 98 -8.940 8.000 -8.369 1.00 0.00 C ATOM 1471 O LYS B 98 -9.941 8.680 -8.136 1.00 0.00 O ATOM 1472 CB LYS B 98 -8.565 6.346 -6.455 1.00 0.00 C ATOM 1473 CG LYS B 98 -8.695 4.882 -6.001 1.00 0.00 C ATOM 1474 CD LYS B 98 -8.628 4.721 -4.480 1.00 0.00 C ATOM 1475 CE LYS B 98 -8.807 3.236 -4.138 1.00 0.00 C ATOM 1476 NZ LYS B 98 -8.732 2.955 -2.683 1.00 0.00 N ATOM 0 H LYS B 98 -7.210 5.360 -8.336 1.00 0.00 H new ATOM 0 HA LYS B 98 -9.942 6.155 -8.084 1.00 0.00 H new ATOM 0 HB2 LYS B 98 -7.545 6.690 -6.284 1.00 0.00 H new ATOM 0 HB3 LYS B 98 -9.219 6.974 -5.850 1.00 0.00 H new ATOM 0 HG2 LYS B 98 -9.640 4.477 -6.363 1.00 0.00 H new ATOM 0 HG3 LYS B 98 -7.900 4.293 -6.459 1.00 0.00 H new ATOM 0 HD2 LYS B 98 -7.672 5.084 -4.103 1.00 0.00 H new ATOM 0 HD3 LYS B 98 -9.406 5.316 -4.002 1.00 0.00 H new ATOM 0 HE2 LYS B 98 -9.771 2.897 -4.517 1.00 0.00 H new ATOM 0 HE3 LYS B 98 -8.040 2.657 -4.653 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 -8.860 1.936 -2.519 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 -7.803 3.250 -2.320 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 -9.480 3.482 -2.189 1.00 0.00 H new ATOM 1490 N LEU B 99 -7.872 8.498 -9.015 1.00 0.00 N ATOM 1491 CA LEU B 99 -7.926 9.684 -9.885 1.00 0.00 C ATOM 1492 C LEU B 99 -8.556 9.342 -11.242 1.00 0.00 C ATOM 1493 O LEU B 99 -9.558 9.936 -11.632 1.00 0.00 O ATOM 1494 CB LEU B 99 -6.522 10.302 -10.063 1.00 0.00 C ATOM 1495 CG LEU B 99 -5.859 10.818 -8.769 1.00 0.00 C ATOM 1496 CD1 LEU B 99 -4.437 11.298 -9.099 1.00 0.00 C ATOM 1497 CD2 LEU B 99 -6.641 11.958 -8.106 1.00 0.00 C ATOM 0 H LEU B 99 -6.941 8.086 -8.947 1.00 0.00 H new ATOM 0 HA LEU B 99 -8.560 10.428 -9.402 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.869 9.555 -10.513 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -6.594 11.129 -10.769 1.00 0.00 H new ATOM 0 HG LEU B 99 -5.843 9.992 -8.058 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -3.957 11.665 -8.192 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -3.858 10.469 -9.505 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.486 12.101 -9.835 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.123 12.276 -7.201 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -6.715 12.798 -8.796 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -7.642 11.611 -7.848 1.00 0.00 H new ATOM 1509 N GLY B 100 -7.963 8.393 -11.977 1.00 0.00 N ATOM 1510 CA GLY B 100 -8.396 7.953 -13.315 1.00 0.00 C ATOM 1511 C GLY B 100 -7.905 8.861 -14.448 1.00 0.00 C ATOM 1512 O GLY B 100 -7.388 8.368 -15.451 1.00 0.00 O ATOM 0 H GLY B 100 -7.139 7.891 -11.647 1.00 0.00 H new ATOM 0 HA2 GLY B 100 -8.034 6.940 -13.490 1.00 0.00 H new ATOM 0 HA3 GLY B 100 -9.485 7.911 -13.340 1.00 0.00 H new ATOM 1516 N GLY B 101 -7.971 10.187 -14.270 1.00 0.00 N ATOM 1517 CA GLY B 101 -7.471 11.204 -15.215 1.00 0.00 C ATOM 1518 C GLY B 101 -5.944 11.335 -15.217 1.00 0.00 C ATOM 1519 O GLY B 101 -5.414 12.436 -15.069 1.00 0.00 O ATOM 0 H GLY B 101 -8.388 10.600 -13.436 1.00 0.00 H new ATOM 0 HA2 GLY B 101 -7.808 10.952 -16.220 1.00 0.00 H new ATOM 0 HA3 GLY B 101 -7.911 12.169 -14.964 1.00 0.00 H new ATOM 1523 N VAL B 102 -5.244 10.209 -15.346 1.00 0.00 N ATOM 1524 CA VAL B 102 -3.780 10.070 -15.297 1.00 0.00 C ATOM 1525 C VAL B 102 -3.328 9.028 -16.326 1.00 0.00 C ATOM 1526 O VAL B 102 -3.908 7.949 -16.413 1.00 0.00 O ATOM 1527 CB VAL B 102 -3.272 9.686 -13.881 1.00 0.00 C ATOM 1528 CG1 VAL B 102 -3.368 10.871 -12.905 1.00 0.00 C ATOM 1529 CG2 VAL B 102 -3.996 8.482 -13.246 1.00 0.00 C ATOM 0 H VAL B 102 -5.707 9.313 -15.497 1.00 0.00 H new ATOM 0 HA VAL B 102 -3.346 11.040 -15.539 1.00 0.00 H new ATOM 0 HB VAL B 102 -2.233 9.400 -14.043 1.00 0.00 H new ATOM 0 HG11 VAL B 102 -3.004 10.565 -11.924 1.00 0.00 H new ATOM 0 HG12 VAL B 102 -2.762 11.698 -13.276 1.00 0.00 H new ATOM 0 HG13 VAL B 102 -4.407 11.191 -12.823 1.00 0.00 H new ATOM 0 HG21 VAL B 102 -3.577 8.285 -12.259 1.00 0.00 H new ATOM 0 HG22 VAL B 102 -5.059 8.705 -13.151 1.00 0.00 H new ATOM 0 HG23 VAL B 102 -3.865 7.604 -13.878 1.00 0.00 H new ATOM 1539 N LYS B 103 -2.295 9.361 -17.109 1.00 0.00 N ATOM 1540 CA LYS B 103 -1.756 8.529 -18.196 1.00 0.00 C ATOM 1541 C LYS B 103 -0.326 8.067 -17.856 1.00 0.00 C ATOM 1542 O LYS B 103 0.568 8.916 -17.753 1.00 0.00 O ATOM 1543 CB LYS B 103 -1.767 9.397 -19.469 1.00 0.00 C ATOM 1544 CG LYS B 103 -1.673 8.575 -20.761 1.00 0.00 C ATOM 1545 CD LYS B 103 -1.530 9.472 -21.999 1.00 0.00 C ATOM 1546 CE LYS B 103 -2.759 10.349 -22.266 1.00 0.00 C ATOM 1547 NZ LYS B 103 -2.495 11.286 -23.379 1.00 0.00 N ATOM 0 H LYS B 103 -1.795 10.243 -17.002 1.00 0.00 H new ATOM 0 HA LYS B 103 -2.357 7.631 -18.340 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -2.681 9.990 -19.489 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -0.933 10.098 -19.430 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -0.819 7.900 -20.701 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -2.563 7.955 -20.863 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -0.657 10.113 -21.874 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -1.344 8.846 -22.872 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -3.616 9.720 -22.508 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -3.017 10.907 -21.366 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -3.396 11.570 -23.814 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -2.005 12.128 -23.015 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -1.898 10.819 -24.092 1.00 0.00 H new ATOM 1561 N TYR B 104 -0.072 6.768 -17.656 1.00 0.00 N ATOM 1562 CA TYR B 104 1.131 6.322 -16.926 1.00 0.00 C ATOM 1563 C TYR B 104 1.798 5.012 -17.389 1.00 0.00 C ATOM 1564 O TYR B 104 1.190 4.151 -18.025 1.00 0.00 O ATOM 1565 CB TYR B 104 0.829 6.298 -15.414 1.00 0.00 C ATOM 1566 CG TYR B 104 -0.203 5.277 -14.966 1.00 0.00 C ATOM 1567 CD1 TYR B 104 -1.573 5.599 -15.012 1.00 0.00 C ATOM 1568 CD2 TYR B 104 0.201 4.019 -14.476 1.00 0.00 C ATOM 1569 CE1 TYR B 104 -2.541 4.668 -14.592 1.00 0.00 C ATOM 1570 CE2 TYR B 104 -0.760 3.085 -14.039 1.00 0.00 C ATOM 1571 CZ TYR B 104 -2.137 3.404 -14.107 1.00 0.00 C ATOM 1572 OH TYR B 104 -3.074 2.497 -13.713 1.00 0.00 O ATOM 0 H TYR B 104 -0.673 6.012 -17.983 1.00 0.00 H new ATOM 0 HA TYR B 104 1.892 7.063 -17.170 1.00 0.00 H new ATOM 0 HB2 TYR B 104 1.759 6.106 -14.879 1.00 0.00 H new ATOM 0 HB3 TYR B 104 0.487 7.289 -15.114 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.883 6.569 -15.373 1.00 0.00 H new ATOM 0 HD2 TYR B 104 1.251 3.770 -14.435 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -3.590 4.919 -14.640 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -0.446 2.127 -13.653 1.00 0.00 H new ATOM 0 HH TYR B 104 -2.894 1.634 -14.140 1.00 0.00 H new ATOM 1582 N ASP B 105 3.079 4.875 -17.028 1.00 0.00 N ATOM 1583 CA ASP B 105 3.933 3.706 -17.271 1.00 0.00 C ATOM 1584 C ASP B 105 4.909 3.494 -16.101 1.00 0.00 C ATOM 1585 O ASP B 105 5.650 4.408 -15.735 1.00 0.00 O ATOM 1586 CB ASP B 105 4.711 3.899 -18.583 1.00 0.00 C ATOM 1587 CG ASP B 105 5.681 2.744 -18.848 1.00 0.00 C ATOM 1588 OD1 ASP B 105 5.202 1.621 -19.145 1.00 0.00 O ATOM 1589 OD2 ASP B 105 6.912 2.953 -18.733 1.00 0.00 O ATOM 0 H ASP B 105 3.574 5.616 -16.532 1.00 0.00 H new ATOM 0 HA ASP B 105 3.302 2.821 -17.353 1.00 0.00 H new ATOM 0 HB2 ASP B 105 4.009 3.981 -19.413 1.00 0.00 H new ATOM 0 HB3 ASP B 105 5.266 4.836 -18.541 1.00 0.00 H new ATOM 1594 N ILE B 106 4.922 2.281 -15.540 1.00 0.00 N ATOM 1595 CA ILE B 106 5.810 1.840 -14.449 1.00 0.00 C ATOM 1596 C ILE B 106 7.020 1.098 -15.032 1.00 0.00 C ATOM 1597 O ILE B 106 6.857 0.156 -15.816 1.00 0.00 O ATOM 1598 CB ILE B 106 5.026 0.926 -13.464 1.00 0.00 C ATOM 1599 CG1 ILE B 106 3.772 1.635 -12.890 1.00 0.00 C ATOM 1600 CG2 ILE B 106 5.941 0.427 -12.322 1.00 0.00 C ATOM 1601 CD1 ILE B 106 2.868 0.734 -12.037 1.00 0.00 C ATOM 0 H ILE B 106 4.287 1.543 -15.845 1.00 0.00 H new ATOM 0 HA ILE B 106 6.168 2.711 -13.900 1.00 0.00 H new ATOM 0 HB ILE B 106 4.682 0.062 -14.033 1.00 0.00 H new ATOM 0 HG12 ILE B 106 4.094 2.483 -12.285 1.00 0.00 H new ATOM 0 HG13 ILE B 106 3.187 2.037 -13.717 1.00 0.00 H new ATOM 0 HG21 ILE B 106 5.368 -0.210 -11.648 1.00 0.00 H new ATOM 0 HG22 ILE B 106 6.770 -0.143 -12.742 1.00 0.00 H new ATOM 0 HG23 ILE B 106 6.332 1.281 -11.769 1.00 0.00 H new ATOM 0 HD11 ILE B 106 2.016 1.310 -11.676 1.00 0.00 H new ATOM 0 HD12 ILE B 106 2.512 -0.101 -12.641 1.00 0.00 H new ATOM 0 HD13 ILE B 106 3.433 0.352 -11.187 1.00 0.00 H new ATOM 1613 N ASP B 107 8.228 1.477 -14.618 1.00 0.00 N ATOM 1614 CA ASP B 107 9.485 0.770 -14.896 1.00 0.00 C ATOM 1615 C ASP B 107 9.907 -0.030 -13.646 1.00 0.00 C ATOM 1616 O ASP B 107 10.207 0.557 -12.606 1.00 0.00 O ATOM 1617 CB ASP B 107 10.536 1.817 -15.308 1.00 0.00 C ATOM 1618 CG ASP B 107 11.761 1.220 -16.007 1.00 0.00 C ATOM 1619 OD1 ASP B 107 12.312 0.198 -15.537 1.00 0.00 O ATOM 1620 OD2 ASP B 107 12.163 1.785 -17.052 1.00 0.00 O ATOM 0 H ASP B 107 8.367 2.318 -14.057 1.00 0.00 H new ATOM 0 HA ASP B 107 9.373 0.054 -15.711 1.00 0.00 H new ATOM 0 HB2 ASP B 107 10.069 2.545 -15.972 1.00 0.00 H new ATOM 0 HB3 ASP B 107 10.863 2.358 -14.420 1.00 0.00 H new ATOM 1625 N LEU B 108 9.881 -1.368 -13.723 1.00 0.00 N ATOM 1626 CA LEU B 108 9.965 -2.252 -12.548 1.00 0.00 C ATOM 1627 C LEU B 108 11.346 -2.239 -11.847 1.00 0.00 C ATOM 1628 O LEU B 108 11.352 -2.079 -10.623 1.00 0.00 O ATOM 1629 CB LEU B 108 9.459 -3.665 -12.939 1.00 0.00 C ATOM 1630 CG LEU B 108 8.792 -4.531 -11.844 1.00 0.00 C ATOM 1631 CD1 LEU B 108 9.732 -4.908 -10.692 1.00 0.00 C ATOM 1632 CD2 LEU B 108 7.512 -3.884 -11.290 1.00 0.00 C ATOM 0 H LEU B 108 9.801 -1.872 -14.606 1.00 0.00 H new ATOM 0 HA LEU B 108 9.306 -1.860 -11.774 1.00 0.00 H new ATOM 0 HB2 LEU B 108 8.744 -3.549 -13.754 1.00 0.00 H new ATOM 0 HB3 LEU B 108 10.306 -4.224 -13.336 1.00 0.00 H new ATOM 0 HG LEU B 108 8.525 -5.457 -12.353 1.00 0.00 H new ATOM 0 HD11 LEU B 108 9.192 -5.515 -9.965 1.00 0.00 H new ATOM 0 HD12 LEU B 108 10.576 -5.476 -11.082 1.00 0.00 H new ATOM 0 HD13 LEU B 108 10.097 -4.002 -10.209 1.00 0.00 H new ATOM 0 HD21 LEU B 108 7.080 -4.529 -10.525 1.00 0.00 H new ATOM 0 HD22 LEU B 108 7.754 -2.915 -10.854 1.00 0.00 H new ATOM 0 HD23 LEU B 108 6.793 -3.749 -12.098 1.00 0.00 H new ATOM 1644 N PRO B 109 12.500 -2.352 -12.547 1.00 0.00 N ATOM 1645 CA PRO B 109 13.814 -2.248 -11.911 1.00 0.00 C ATOM 1646 C PRO B 109 14.254 -0.802 -11.633 1.00 0.00 C ATOM 1647 O PRO B 109 14.873 -0.567 -10.596 1.00 0.00 O ATOM 1648 CB PRO B 109 14.779 -2.984 -12.845 1.00 0.00 C ATOM 1649 CG PRO B 109 14.150 -2.791 -14.220 1.00 0.00 C ATOM 1650 CD PRO B 109 12.654 -2.826 -13.919 1.00 0.00 C ATOM 0 HA PRO B 109 13.793 -2.696 -10.917 1.00 0.00 H new ATOM 0 HB2 PRO B 109 15.783 -2.563 -12.799 1.00 0.00 H new ATOM 0 HB3 PRO B 109 14.864 -4.039 -12.586 1.00 0.00 H new ATOM 0 HG2 PRO B 109 14.449 -1.845 -14.672 1.00 0.00 H new ATOM 0 HG3 PRO B 109 14.441 -3.581 -14.912 1.00 0.00 H new ATOM 0 HD2 PRO B 109 12.103 -2.192 -14.613 1.00 0.00 H new ATOM 0 HD3 PRO B 109 12.259 -3.836 -14.028 1.00 0.00 H new ATOM 1658 N ASN B 110 13.921 0.186 -12.481 1.00 0.00 N ATOM 1659 CA ASN B 110 14.263 1.593 -12.189 1.00 0.00 C ATOM 1660 C ASN B 110 13.429 2.146 -11.013 1.00 0.00 C ATOM 1661 O ASN B 110 13.872 3.012 -10.253 1.00 0.00 O ATOM 1662 CB ASN B 110 14.073 2.458 -13.452 1.00 0.00 C ATOM 1663 CG ASN B 110 14.784 3.811 -13.374 1.00 0.00 C ATOM 1664 OD1 ASN B 110 15.465 4.136 -12.412 1.00 0.00 O ATOM 1665 ND2 ASN B 110 14.653 4.647 -14.385 1.00 0.00 N ATOM 0 H ASN B 110 13.424 0.043 -13.360 1.00 0.00 H new ATOM 0 HA ASN B 110 15.311 1.632 -11.891 1.00 0.00 H new ATOM 0 HB2 ASN B 110 14.444 1.910 -14.318 1.00 0.00 H new ATOM 0 HB3 ASN B 110 13.008 2.624 -13.613 1.00 0.00 H new ATOM 0 HD21 ASN B 110 15.117 5.555 -14.360 1.00 0.00 H new ATOM 0 HD22 ASN B 110 14.087 4.386 -15.193 1.00 0.00 H new ATOM 1672 N LYS B 111 12.194 1.641 -10.880 1.00 0.00 N ATOM 1673 CA LYS B 111 11.204 1.957 -9.834 1.00 0.00 C ATOM 1674 C LYS B 111 10.675 3.400 -9.993 1.00 0.00 C ATOM 1675 O LYS B 111 10.226 4.062 -9.051 1.00 0.00 O ATOM 1676 CB LYS B 111 11.731 1.532 -8.444 1.00 0.00 C ATOM 1677 CG LYS B 111 11.997 0.012 -8.457 1.00 0.00 C ATOM 1678 CD LYS B 111 12.730 -0.549 -7.238 1.00 0.00 C ATOM 1679 CE LYS B 111 13.176 -2.010 -7.468 1.00 0.00 C ATOM 1680 NZ LYS B 111 12.073 -2.907 -7.903 1.00 0.00 N ATOM 0 H LYS B 111 11.834 0.955 -11.543 1.00 0.00 H new ATOM 0 HA LYS B 111 10.301 1.358 -9.951 1.00 0.00 H new ATOM 0 HB2 LYS B 111 12.647 2.073 -8.206 1.00 0.00 H new ATOM 0 HB3 LYS B 111 11.003 1.781 -7.672 1.00 0.00 H new ATOM 0 HG2 LYS B 111 11.041 -0.504 -8.551 1.00 0.00 H new ATOM 0 HG3 LYS B 111 12.577 -0.228 -9.348 1.00 0.00 H new ATOM 0 HD2 LYS B 111 13.601 0.068 -7.020 1.00 0.00 H new ATOM 0 HD3 LYS B 111 12.078 -0.500 -6.366 1.00 0.00 H new ATOM 0 HE2 LYS B 111 13.965 -2.026 -8.220 1.00 0.00 H new ATOM 0 HE3 LYS B 111 13.607 -2.399 -6.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 12.369 -3.898 -7.795 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 11.231 -2.731 -7.318 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 11.847 -2.720 -8.901 1.00 0.00 H new ATOM 1694 N LYS B 112 10.735 3.864 -11.246 1.00 0.00 N ATOM 1695 CA LYS B 112 10.301 5.142 -11.777 1.00 0.00 C ATOM 1696 C LYS B 112 8.917 5.014 -12.448 1.00 0.00 C ATOM 1697 O LYS B 112 8.580 3.961 -12.995 1.00 0.00 O ATOM 1698 CB LYS B 112 11.411 5.575 -12.753 1.00 0.00 C ATOM 1699 CG LYS B 112 11.193 6.990 -13.283 1.00 0.00 C ATOM 1700 CD LYS B 112 12.417 7.568 -13.999 1.00 0.00 C ATOM 1701 CE LYS B 112 13.563 7.888 -13.024 1.00 0.00 C ATOM 1702 NZ LYS B 112 14.530 8.843 -13.612 1.00 0.00 N ATOM 0 H LYS B 112 11.133 3.284 -11.984 1.00 0.00 H new ATOM 0 HA LYS B 112 10.165 5.896 -11.002 1.00 0.00 H new ATOM 0 HB2 LYS B 112 12.376 5.522 -12.249 1.00 0.00 H new ATOM 0 HB3 LYS B 112 11.449 4.877 -13.590 1.00 0.00 H new ATOM 0 HG2 LYS B 112 10.348 6.986 -13.971 1.00 0.00 H new ATOM 0 HG3 LYS B 112 10.925 7.643 -12.453 1.00 0.00 H new ATOM 0 HD2 LYS B 112 12.767 6.857 -14.748 1.00 0.00 H new ATOM 0 HD3 LYS B 112 12.130 8.475 -14.530 1.00 0.00 H new ATOM 0 HE2 LYS B 112 13.153 8.305 -12.104 1.00 0.00 H new ATOM 0 HE3 LYS B 112 14.079 6.967 -12.754 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 15.288 9.035 -12.927 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 14.940 8.434 -14.476 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 14.042 9.731 -13.847 1.00 0.00 H new ATOM 1716 N VAL B 113 8.120 6.079 -12.403 1.00 0.00 N ATOM 1717 CA VAL B 113 6.787 6.185 -13.014 1.00 0.00 C ATOM 1718 C VAL B 113 6.653 7.580 -13.628 1.00 0.00 C ATOM 1719 O VAL B 113 6.956 8.566 -12.961 1.00 0.00 O ATOM 1720 CB VAL B 113 5.648 5.954 -11.986 1.00 0.00 C ATOM 1721 CG1 VAL B 113 4.273 5.900 -12.679 1.00 0.00 C ATOM 1722 CG2 VAL B 113 5.842 4.659 -11.173 1.00 0.00 C ATOM 0 H VAL B 113 8.394 6.934 -11.918 1.00 0.00 H new ATOM 0 HA VAL B 113 6.692 5.409 -13.774 1.00 0.00 H new ATOM 0 HB VAL B 113 5.686 6.802 -11.303 1.00 0.00 H new ATOM 0 HG11 VAL B 113 3.496 5.737 -11.933 1.00 0.00 H new ATOM 0 HG12 VAL B 113 4.089 6.842 -13.195 1.00 0.00 H new ATOM 0 HG13 VAL B 113 4.261 5.083 -13.400 1.00 0.00 H new ATOM 0 HG21 VAL B 113 5.018 4.545 -10.469 1.00 0.00 H new ATOM 0 HG22 VAL B 113 5.862 3.804 -11.849 1.00 0.00 H new ATOM 0 HG23 VAL B 113 6.783 4.711 -10.625 1.00 0.00 H new ATOM 1732 N CYS B 114 6.207 7.667 -14.884 1.00 0.00 N ATOM 1733 CA CYS B 114 5.961 8.938 -15.577 1.00 0.00 C ATOM 1734 C CYS B 114 4.461 9.141 -15.824 1.00 0.00 C ATOM 1735 O CYS B 114 3.805 8.238 -16.349 1.00 0.00 O ATOM 1736 CB CYS B 114 6.767 8.943 -16.881 1.00 0.00 C ATOM 1737 SG CYS B 114 6.646 10.583 -17.650 1.00 0.00 S ATOM 0 H CYS B 114 6.004 6.848 -15.457 1.00 0.00 H new ATOM 0 HA CYS B 114 6.287 9.774 -14.959 1.00 0.00 H new ATOM 0 HB2 CYS B 114 7.810 8.699 -16.679 1.00 0.00 H new ATOM 0 HB3 CYS B 114 6.387 8.180 -17.561 1.00 0.00 H new ATOM 0 HG CYS B 114 7.329 10.595 -18.756 1.00 0.00 H new ATOM 1743 N ILE B 115 3.913 10.305 -15.467 1.00 0.00 N ATOM 1744 CA ILE B 115 2.474 10.623 -15.573 1.00 0.00 C ATOM 1745 C ILE B 115 2.248 11.836 -16.486 1.00 0.00 C ATOM 1746 O ILE B 115 2.763 12.915 -16.193 1.00 0.00 O ATOM 1747 CB ILE B 115 1.857 10.883 -14.172 1.00 0.00 C ATOM 1748 CG1 ILE B 115 2.072 9.669 -13.232 1.00 0.00 C ATOM 1749 CG2 ILE B 115 0.355 11.225 -14.315 1.00 0.00 C ATOM 1750 CD1 ILE B 115 1.522 9.847 -11.810 1.00 0.00 C ATOM 0 H ILE B 115 4.464 11.075 -15.087 1.00 0.00 H new ATOM 0 HA ILE B 115 1.975 9.760 -16.014 1.00 0.00 H new ATOM 0 HB ILE B 115 2.365 11.734 -13.719 1.00 0.00 H new ATOM 0 HG12 ILE B 115 1.603 8.793 -13.680 1.00 0.00 H new ATOM 0 HG13 ILE B 115 3.140 9.461 -13.169 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -0.072 11.406 -13.329 1.00 0.00 H new ATOM 0 HG22 ILE B 115 0.242 12.118 -14.929 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -0.165 10.392 -14.788 1.00 0.00 H new ATOM 0 HD11 ILE B 115 1.720 8.947 -11.228 1.00 0.00 H new ATOM 0 HD12 ILE B 115 2.008 10.700 -11.336 1.00 0.00 H new ATOM 0 HD13 ILE B 115 0.447 10.021 -11.855 1.00 0.00 H new ATOM 1762 N GLU B 116 1.411 11.687 -17.521 1.00 0.00 N ATOM 1763 CA GLU B 116 0.759 12.817 -18.193 1.00 0.00 C ATOM 1764 C GLU B 116 -0.631 13.035 -17.584 1.00 0.00 C ATOM 1765 O GLU B 116 -1.527 12.199 -17.700 1.00 0.00 O ATOM 1766 CB GLU B 116 0.695 12.640 -19.725 1.00 0.00 C ATOM 1767 CG GLU B 116 0.425 13.977 -20.436 1.00 0.00 C ATOM 1768 CD GLU B 116 0.036 13.782 -21.901 1.00 0.00 C ATOM 1769 OE1 GLU B 116 -1.140 13.454 -22.187 1.00 0.00 O ATOM 1770 OE2 GLU B 116 0.887 13.968 -22.802 1.00 0.00 O ATOM 0 H GLU B 116 1.167 10.779 -17.916 1.00 0.00 H new ATOM 0 HA GLU B 116 1.364 13.709 -18.028 1.00 0.00 H new ATOM 0 HB2 GLU B 116 1.635 12.219 -20.083 1.00 0.00 H new ATOM 0 HB3 GLU B 116 -0.090 11.927 -19.978 1.00 0.00 H new ATOM 0 HG2 GLU B 116 -0.373 14.508 -19.917 1.00 0.00 H new ATOM 0 HG3 GLU B 116 1.315 14.604 -20.378 1.00 0.00 H new ATOM 1777 N SER B 117 -0.815 14.178 -16.931 1.00 0.00 N ATOM 1778 CA SER B 117 -2.099 14.660 -16.422 1.00 0.00 C ATOM 1779 C SER B 117 -2.074 16.184 -16.276 1.00 0.00 C ATOM 1780 O SER B 117 -1.016 16.759 -16.016 1.00 0.00 O ATOM 1781 CB SER B 117 -2.412 14.017 -15.066 1.00 0.00 C ATOM 1782 OG SER B 117 -3.687 14.420 -14.597 1.00 0.00 O ATOM 0 H SER B 117 -0.047 14.819 -16.733 1.00 0.00 H new ATOM 0 HA SER B 117 -2.876 14.382 -17.134 1.00 0.00 H new ATOM 0 HB2 SER B 117 -2.381 12.931 -15.158 1.00 0.00 H new ATOM 0 HB3 SER B 117 -1.648 14.298 -14.341 1.00 0.00 H new ATOM 0 HG SER B 117 -4.285 13.644 -14.569 1.00 0.00 H new ATOM 1788 N GLU B 118 -3.233 16.837 -16.395 1.00 0.00 N ATOM 1789 CA GLU B 118 -3.395 18.250 -16.026 1.00 0.00 C ATOM 1790 C GLU B 118 -3.748 18.456 -14.540 1.00 0.00 C ATOM 1791 O GLU B 118 -3.871 19.596 -14.088 1.00 0.00 O ATOM 1792 CB GLU B 118 -4.403 18.935 -16.963 1.00 0.00 C ATOM 1793 CG GLU B 118 -5.850 18.468 -16.768 1.00 0.00 C ATOM 1794 CD GLU B 118 -6.774 19.192 -17.736 1.00 0.00 C ATOM 1795 OE1 GLU B 118 -7.227 20.312 -17.409 1.00 0.00 O ATOM 1796 OE2 GLU B 118 -7.088 18.639 -18.815 1.00 0.00 O ATOM 0 H GLU B 118 -4.086 16.404 -16.749 1.00 0.00 H new ATOM 0 HA GLU B 118 -2.425 18.729 -16.156 1.00 0.00 H new ATOM 0 HB2 GLU B 118 -4.355 20.013 -16.806 1.00 0.00 H new ATOM 0 HB3 GLU B 118 -4.108 18.750 -17.996 1.00 0.00 H new ATOM 0 HG2 GLU B 118 -5.916 17.392 -16.927 1.00 0.00 H new ATOM 0 HG3 GLU B 118 -6.166 18.658 -15.742 1.00 0.00 H new ATOM 1803 N HIS B 119 -3.918 17.386 -13.760 1.00 0.00 N ATOM 1804 CA HIS B 119 -4.163 17.474 -12.317 1.00 0.00 C ATOM 1805 C HIS B 119 -2.960 18.061 -11.549 1.00 0.00 C ATOM 1806 O HIS B 119 -1.814 18.034 -12.008 1.00 0.00 O ATOM 1807 CB HIS B 119 -4.585 16.099 -11.772 1.00 0.00 C ATOM 1808 CG HIS B 119 -5.908 15.595 -12.303 1.00 0.00 C ATOM 1809 ND1 HIS B 119 -7.032 16.345 -12.580 1.00 0.00 N ATOM 1810 CD2 HIS B 119 -6.229 14.290 -12.567 1.00 0.00 C ATOM 1811 CE1 HIS B 119 -7.993 15.517 -13.016 1.00 0.00 C ATOM 1812 NE2 HIS B 119 -7.557 14.244 -13.015 1.00 0.00 N ATOM 0 H HIS B 119 -3.890 16.429 -14.112 1.00 0.00 H new ATOM 0 HA HIS B 119 -4.983 18.174 -12.156 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -3.810 15.372 -12.014 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -4.641 16.154 -10.685 1.00 0.00 H new ATOM 0 HD1 HIS B 119 -7.118 17.356 -12.472 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -5.572 13.441 -12.450 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -8.980 15.829 -13.325 1.00 0.00 H new ATOM 1820 N SER B 120 -3.222 18.635 -10.377 1.00 0.00 N ATOM 1821 CA SER B 120 -2.233 19.414 -9.626 1.00 0.00 C ATOM 1822 C SER B 120 -1.199 18.512 -8.924 1.00 0.00 C ATOM 1823 O SER B 120 -1.534 17.434 -8.426 1.00 0.00 O ATOM 1824 CB SER B 120 -2.946 20.326 -8.609 1.00 0.00 C ATOM 1825 OG SER B 120 -4.028 21.054 -9.187 1.00 0.00 O ATOM 0 H SER B 120 -4.130 18.574 -9.917 1.00 0.00 H new ATOM 0 HA SER B 120 -1.684 20.032 -10.336 1.00 0.00 H new ATOM 0 HB2 SER B 120 -3.321 19.720 -7.784 1.00 0.00 H new ATOM 0 HB3 SER B 120 -2.225 21.027 -8.188 1.00 0.00 H new ATOM 0 HG SER B 120 -4.448 21.615 -8.502 1.00 0.00 H new ATOM 1831 N MET B 121 0.056 18.965 -8.835 1.00 0.00 N ATOM 1832 CA MET B 121 1.182 18.213 -8.252 1.00 0.00 C ATOM 1833 C MET B 121 0.926 17.750 -6.817 1.00 0.00 C ATOM 1834 O MET B 121 1.317 16.645 -6.451 1.00 0.00 O ATOM 1835 CB MET B 121 2.461 19.069 -8.309 1.00 0.00 C ATOM 1836 CG MET B 121 3.268 18.806 -9.588 1.00 0.00 C ATOM 1837 SD MET B 121 3.924 17.129 -9.805 1.00 0.00 S ATOM 1838 CE MET B 121 4.927 16.995 -8.307 1.00 0.00 C ATOM 0 H MET B 121 0.328 19.888 -9.174 1.00 0.00 H new ATOM 0 HA MET B 121 1.301 17.310 -8.851 1.00 0.00 H new ATOM 0 HB2 MET B 121 2.194 20.125 -8.259 1.00 0.00 H new ATOM 0 HB3 MET B 121 3.081 18.855 -7.438 1.00 0.00 H new ATOM 0 HG2 MET B 121 2.634 19.037 -10.444 1.00 0.00 H new ATOM 0 HG3 MET B 121 4.104 19.505 -9.613 1.00 0.00 H new ATOM 0 HE1 MET B 121 5.450 16.038 -8.303 1.00 0.00 H new ATOM 0 HE2 MET B 121 5.655 17.806 -8.283 1.00 0.00 H new ATOM 0 HE3 MET B 121 4.282 17.059 -7.430 1.00 0.00 H new ATOM 1848 N ASP B 122 0.225 18.551 -6.014 1.00 0.00 N ATOM 1849 CA ASP B 122 -0.174 18.179 -4.654 1.00 0.00 C ATOM 1850 C ASP B 122 -1.255 17.088 -4.603 1.00 0.00 C ATOM 1851 O ASP B 122 -1.293 16.325 -3.638 1.00 0.00 O ATOM 1852 CB ASP B 122 -0.688 19.419 -3.923 1.00 0.00 C ATOM 1853 CG ASP B 122 0.431 20.397 -3.589 1.00 0.00 C ATOM 1854 OD1 ASP B 122 1.324 20.047 -2.782 1.00 0.00 O ATOM 1855 OD2 ASP B 122 0.428 21.517 -4.142 1.00 0.00 O ATOM 0 H ASP B 122 -0.085 19.483 -6.290 1.00 0.00 H new ATOM 0 HA ASP B 122 0.713 17.768 -4.172 1.00 0.00 H new ATOM 0 HB2 ASP B 122 -1.433 19.920 -4.541 1.00 0.00 H new ATOM 0 HB3 ASP B 122 -1.189 19.115 -3.004 1.00 0.00 H new ATOM 1860 N THR B 123 -2.127 17.010 -5.617 1.00 0.00 N ATOM 1861 CA THR B 123 -3.130 15.943 -5.780 1.00 0.00 C ATOM 1862 C THR B 123 -2.447 14.641 -6.191 1.00 0.00 C ATOM 1863 O THR B 123 -2.746 13.576 -5.644 1.00 0.00 O ATOM 1864 CB THR B 123 -4.181 16.339 -6.828 1.00 0.00 C ATOM 1865 OG1 THR B 123 -4.604 17.673 -6.645 1.00 0.00 O ATOM 1866 CG2 THR B 123 -5.414 15.442 -6.734 1.00 0.00 C ATOM 0 H THR B 123 -2.157 17.702 -6.366 1.00 0.00 H new ATOM 0 HA THR B 123 -3.634 15.796 -4.825 1.00 0.00 H new ATOM 0 HB THR B 123 -3.709 16.227 -7.804 1.00 0.00 H new ATOM 0 HG1 THR B 123 -5.271 17.901 -7.326 1.00 0.00 H new ATOM 0 HG21 THR B 123 -6.142 15.744 -7.487 1.00 0.00 H new ATOM 0 HG22 THR B 123 -5.124 14.405 -6.905 1.00 0.00 H new ATOM 0 HG23 THR B 123 -5.857 15.536 -5.743 1.00 0.00 H new ATOM 1874 N LEU B 124 -1.497 14.738 -7.130 1.00 0.00 N ATOM 1875 CA LEU B 124 -0.656 13.625 -7.574 1.00 0.00 C ATOM 1876 C LEU B 124 0.177 13.079 -6.408 1.00 0.00 C ATOM 1877 O LEU B 124 0.082 11.891 -6.113 1.00 0.00 O ATOM 1878 CB LEU B 124 0.233 14.071 -8.759 1.00 0.00 C ATOM 1879 CG LEU B 124 -0.523 14.459 -10.051 1.00 0.00 C ATOM 1880 CD1 LEU B 124 0.473 14.990 -11.093 1.00 0.00 C ATOM 1881 CD2 LEU B 124 -1.300 13.276 -10.652 1.00 0.00 C ATOM 0 H LEU B 124 -1.289 15.613 -7.611 1.00 0.00 H new ATOM 0 HA LEU B 124 -1.293 12.813 -7.923 1.00 0.00 H new ATOM 0 HB2 LEU B 124 0.832 14.924 -8.440 1.00 0.00 H new ATOM 0 HB3 LEU B 124 0.927 13.264 -8.994 1.00 0.00 H new ATOM 0 HG LEU B 124 -1.245 15.230 -9.784 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -0.063 15.263 -12.002 1.00 0.00 H new ATOM 0 HD12 LEU B 124 0.983 15.868 -10.695 1.00 0.00 H new ATOM 0 HD13 LEU B 124 1.207 14.217 -11.322 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -1.813 13.600 -11.557 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -0.606 12.472 -10.897 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -2.032 12.916 -9.929 1.00 0.00 H new ATOM 1893 N LEU B 125 0.935 13.925 -5.699 1.00 0.00 N ATOM 1894 CA LEU B 125 1.757 13.511 -4.555 1.00 0.00 C ATOM 1895 C LEU B 125 0.931 13.007 -3.368 1.00 0.00 C ATOM 1896 O LEU B 125 1.373 12.073 -2.703 1.00 0.00 O ATOM 1897 CB LEU B 125 2.697 14.655 -4.130 1.00 0.00 C ATOM 1898 CG LEU B 125 3.920 14.827 -5.054 1.00 0.00 C ATOM 1899 CD1 LEU B 125 4.668 16.111 -4.674 1.00 0.00 C ATOM 1900 CD2 LEU B 125 4.887 13.633 -4.956 1.00 0.00 C ATOM 0 H LEU B 125 0.995 14.922 -5.904 1.00 0.00 H new ATOM 0 HA LEU B 125 2.354 12.662 -4.887 1.00 0.00 H new ATOM 0 HB2 LEU B 125 2.134 15.588 -4.110 1.00 0.00 H new ATOM 0 HB3 LEU B 125 3.044 14.470 -3.113 1.00 0.00 H new ATOM 0 HG LEU B 125 3.556 14.883 -6.080 1.00 0.00 H new ATOM 0 HD11 LEU B 125 5.533 16.235 -5.326 1.00 0.00 H new ATOM 0 HD12 LEU B 125 4.003 16.967 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU B 125 5.001 16.045 -3.638 1.00 0.00 H new ATOM 0 HD21 LEU B 125 5.734 13.795 -5.623 1.00 0.00 H new ATOM 0 HD22 LEU B 125 5.245 13.538 -3.931 1.00 0.00 H new ATOM 0 HD23 LEU B 125 4.367 12.719 -5.245 1.00 0.00 H new ATOM 1912 N ALA B 126 -0.267 13.546 -3.114 1.00 0.00 N ATOM 1913 CA ALA B 126 -1.161 12.995 -2.091 1.00 0.00 C ATOM 1914 C ALA B 126 -1.616 11.566 -2.431 1.00 0.00 C ATOM 1915 O ALA B 126 -1.592 10.695 -1.557 1.00 0.00 O ATOM 1916 CB ALA B 126 -2.356 13.934 -1.893 1.00 0.00 C ATOM 0 H ALA B 126 -0.638 14.361 -3.602 1.00 0.00 H new ATOM 0 HA ALA B 126 -0.608 12.925 -1.154 1.00 0.00 H new ATOM 0 HB1 ALA B 126 -3.020 13.523 -1.132 1.00 0.00 H new ATOM 0 HB2 ALA B 126 -2.000 14.913 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA B 126 -2.899 14.034 -2.833 1.00 0.00 H new ATOM 1922 N THR B 127 -1.970 11.320 -3.702 1.00 0.00 N ATOM 1923 CA THR B 127 -2.387 10.006 -4.225 1.00 0.00 C ATOM 1924 C THR B 127 -1.215 9.024 -4.263 1.00 0.00 C ATOM 1925 O THR B 127 -1.374 7.859 -3.912 1.00 0.00 O ATOM 1926 CB THR B 127 -3.023 10.162 -5.613 1.00 0.00 C ATOM 1927 OG1 THR B 127 -4.089 11.084 -5.526 1.00 0.00 O ATOM 1928 CG2 THR B 127 -3.584 8.837 -6.138 1.00 0.00 C ATOM 0 H THR B 127 -1.975 12.049 -4.416 1.00 0.00 H new ATOM 0 HA THR B 127 -3.135 9.593 -3.548 1.00 0.00 H new ATOM 0 HB THR B 127 -2.247 10.506 -6.297 1.00 0.00 H new ATOM 0 HG1 THR B 127 -3.735 11.997 -5.556 1.00 0.00 H new ATOM 0 HG21 THR B 127 -4.025 8.993 -7.123 1.00 0.00 H new ATOM 0 HG22 THR B 127 -2.780 8.105 -6.212 1.00 0.00 H new ATOM 0 HG23 THR B 127 -4.348 8.468 -5.453 1.00 0.00 H new ATOM 1936 N LEU B 128 -0.015 9.477 -4.629 1.00 0.00 N ATOM 1937 CA LEU B 128 1.196 8.656 -4.578 1.00 0.00 C ATOM 1938 C LEU B 128 1.546 8.278 -3.131 1.00 0.00 C ATOM 1939 O LEU B 128 1.823 7.110 -2.869 1.00 0.00 O ATOM 1940 CB LEU B 128 2.343 9.380 -5.305 1.00 0.00 C ATOM 1941 CG LEU B 128 2.163 9.440 -6.841 1.00 0.00 C ATOM 1942 CD1 LEU B 128 3.098 10.494 -7.449 1.00 0.00 C ATOM 1943 CD2 LEU B 128 2.436 8.078 -7.498 1.00 0.00 C ATOM 0 H LEU B 128 0.145 10.425 -4.970 1.00 0.00 H new ATOM 0 HA LEU B 128 1.021 7.715 -5.099 1.00 0.00 H new ATOM 0 HB2 LEU B 128 2.424 10.395 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU B 128 3.282 8.876 -5.077 1.00 0.00 H new ATOM 0 HG LEU B 128 1.126 9.714 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU B 128 2.959 10.524 -8.530 1.00 0.00 H new ATOM 0 HD12 LEU B 128 2.867 11.472 -7.027 1.00 0.00 H new ATOM 0 HD13 LEU B 128 4.133 10.236 -7.223 1.00 0.00 H new ATOM 0 HD21 LEU B 128 2.299 8.160 -8.576 1.00 0.00 H new ATOM 0 HD22 LEU B 128 3.459 7.770 -7.284 1.00 0.00 H new ATOM 0 HD23 LEU B 128 1.743 7.337 -7.100 1.00 0.00 H new ATOM 1955 N LYS B 129 1.439 9.192 -2.162 1.00 0.00 N ATOM 1956 CA LYS B 129 1.604 8.856 -0.738 1.00 0.00 C ATOM 1957 C LYS B 129 0.536 7.872 -0.214 1.00 0.00 C ATOM 1958 O LYS B 129 0.863 7.034 0.632 1.00 0.00 O ATOM 1959 CB LYS B 129 1.688 10.148 0.096 1.00 0.00 C ATOM 1960 CG LYS B 129 3.102 10.745 -0.004 1.00 0.00 C ATOM 1961 CD LYS B 129 3.304 12.037 0.798 1.00 0.00 C ATOM 1962 CE LYS B 129 2.615 13.240 0.142 1.00 0.00 C ATOM 1963 NZ LYS B 129 3.200 14.518 0.616 1.00 0.00 N ATOM 0 H LYS B 129 1.238 10.177 -2.336 1.00 0.00 H new ATOM 0 HA LYS B 129 2.545 8.316 -0.630 1.00 0.00 H new ATOM 0 HB2 LYS B 129 0.953 10.870 -0.261 1.00 0.00 H new ATOM 0 HB3 LYS B 129 1.447 9.935 1.137 1.00 0.00 H new ATOM 0 HG2 LYS B 129 3.822 10.002 0.340 1.00 0.00 H new ATOM 0 HG3 LYS B 129 3.326 10.944 -1.052 1.00 0.00 H new ATOM 0 HD2 LYS B 129 2.913 11.902 1.806 1.00 0.00 H new ATOM 0 HD3 LYS B 129 4.371 12.240 0.895 1.00 0.00 H new ATOM 0 HE2 LYS B 129 2.713 13.172 -0.941 1.00 0.00 H new ATOM 0 HE3 LYS B 129 1.549 13.219 0.368 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 2.714 15.314 0.155 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 3.084 14.591 1.647 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 4.212 14.546 0.378 1.00 0.00 H new ATOM 1977 N LYS B 130 -0.685 7.859 -0.774 1.00 0.00 N ATOM 1978 CA LYS B 130 -1.715 6.838 -0.488 1.00 0.00 C ATOM 1979 C LYS B 130 -1.345 5.409 -0.944 1.00 0.00 C ATOM 1980 O LYS B 130 -1.970 4.461 -0.466 1.00 0.00 O ATOM 1981 CB LYS B 130 -3.078 7.254 -1.087 1.00 0.00 C ATOM 1982 CG LYS B 130 -3.825 8.335 -0.291 1.00 0.00 C ATOM 1983 CD LYS B 130 -4.440 7.837 1.023 1.00 0.00 C ATOM 1984 CE LYS B 130 -5.562 6.811 0.834 1.00 0.00 C ATOM 1985 NZ LYS B 130 -6.035 6.283 2.133 1.00 0.00 N ATOM 0 H LYS B 130 -0.991 8.563 -1.446 1.00 0.00 H new ATOM 0 HA LYS B 130 -1.783 6.795 0.599 1.00 0.00 H new ATOM 0 HB2 LYS B 130 -2.918 7.615 -2.103 1.00 0.00 H new ATOM 0 HB3 LYS B 130 -3.713 6.371 -1.159 1.00 0.00 H new ATOM 0 HG2 LYS B 130 -3.135 9.150 -0.070 1.00 0.00 H new ATOM 0 HG3 LYS B 130 -4.617 8.748 -0.916 1.00 0.00 H new ATOM 0 HD2 LYS B 130 -3.655 7.393 1.635 1.00 0.00 H new ATOM 0 HD3 LYS B 130 -4.831 8.691 1.576 1.00 0.00 H new ATOM 0 HE2 LYS B 130 -6.394 7.273 0.303 1.00 0.00 H new ATOM 0 HE3 LYS B 130 -5.205 5.989 0.214 1.00 0.00 H new ATOM 0 HZ1 LYS B 130 -6.839 5.643 1.975 1.00 0.00 H new ATOM 0 HZ2 LYS B 130 -5.264 5.763 2.598 1.00 0.00 H new ATOM 0 HZ3 LYS B 130 -6.335 7.072 2.740 1.00 0.00 H new ATOM 1999 N THR B 131 -0.316 5.211 -1.786 1.00 0.00 N ATOM 2000 CA THR B 131 0.228 3.864 -2.085 1.00 0.00 C ATOM 2001 C THR B 131 0.891 3.200 -0.876 1.00 0.00 C ATOM 2002 O THR B 131 1.083 1.987 -0.892 1.00 0.00 O ATOM 2003 CB THR B 131 1.215 3.861 -3.262 1.00 0.00 C ATOM 2004 OG1 THR B 131 2.388 4.556 -2.919 1.00 0.00 O ATOM 2005 CG2 THR B 131 0.631 4.448 -4.548 1.00 0.00 C ATOM 0 H THR B 131 0.161 5.967 -2.276 1.00 0.00 H new ATOM 0 HA THR B 131 -0.649 3.280 -2.364 1.00 0.00 H new ATOM 0 HB THR B 131 1.441 2.814 -3.464 1.00 0.00 H new ATOM 0 HG1 THR B 131 2.158 5.464 -2.631 1.00 0.00 H new ATOM 0 HG21 THR B 131 1.382 4.414 -5.337 1.00 0.00 H new ATOM 0 HG22 THR B 131 -0.240 3.866 -4.851 1.00 0.00 H new ATOM 0 HG23 THR B 131 0.334 5.482 -4.374 1.00 0.00 H new ATOM 2013 N GLY B 132 1.224 3.967 0.171 1.00 0.00 N ATOM 2014 CA GLY B 132 1.903 3.461 1.366 1.00 0.00 C ATOM 2015 C GLY B 132 3.410 3.321 1.158 1.00 0.00 C ATOM 2016 O GLY B 132 3.995 2.347 1.633 1.00 0.00 O ATOM 0 H GLY B 132 1.026 4.967 0.210 1.00 0.00 H new ATOM 0 HA2 GLY B 132 1.714 4.135 2.202 1.00 0.00 H new ATOM 0 HA3 GLY B 132 1.484 2.492 1.637 1.00 0.00 H new ATOM 2020 N LYS B 133 4.018 4.262 0.423 1.00 0.00 N ATOM 2021 CA LYS B 133 5.434 4.286 0.021 1.00 0.00 C ATOM 2022 C LYS B 133 6.071 5.676 0.157 1.00 0.00 C ATOM 2023 O LYS B 133 5.421 6.696 -0.082 1.00 0.00 O ATOM 2024 CB LYS B 133 5.565 3.829 -1.450 1.00 0.00 C ATOM 2025 CG LYS B 133 5.046 2.419 -1.773 1.00 0.00 C ATOM 2026 CD LYS B 133 5.839 1.327 -1.048 1.00 0.00 C ATOM 2027 CE LYS B 133 5.327 -0.056 -1.459 1.00 0.00 C ATOM 2028 NZ LYS B 133 5.851 -1.116 -0.567 1.00 0.00 N ATOM 0 H LYS B 133 3.508 5.073 0.073 1.00 0.00 H new ATOM 0 HA LYS B 133 5.961 3.609 0.694 1.00 0.00 H new ATOM 0 HB2 LYS B 133 5.032 4.542 -2.079 1.00 0.00 H new ATOM 0 HB3 LYS B 133 6.617 3.879 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS B 133 3.995 2.348 -1.493 1.00 0.00 H new ATOM 0 HG3 LYS B 133 5.101 2.252 -2.849 1.00 0.00 H new ATOM 0 HD2 LYS B 133 6.899 1.417 -1.287 1.00 0.00 H new ATOM 0 HD3 LYS B 133 5.744 1.453 0.031 1.00 0.00 H new ATOM 0 HE2 LYS B 133 4.237 -0.064 -1.434 1.00 0.00 H new ATOM 0 HE3 LYS B 133 5.624 -0.264 -2.487 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 5.702 -2.046 -1.008 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 6.868 -0.966 -0.410 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 5.351 -1.081 0.344 1.00 0.00 H new ATOM 2042 N THR B 134 7.380 5.701 0.440 1.00 0.00 N ATOM 2043 CA THR B 134 8.243 6.873 0.259 1.00 0.00 C ATOM 2044 C THR B 134 8.370 7.143 -1.238 1.00 0.00 C ATOM 2045 O THR B 134 8.997 6.368 -1.960 1.00 0.00 O ATOM 2046 CB THR B 134 9.614 6.639 0.903 1.00 0.00 C ATOM 2047 OG1 THR B 134 9.437 6.334 2.267 1.00 0.00 O ATOM 2048 CG2 THR B 134 10.496 7.883 0.826 1.00 0.00 C ATOM 0 H THR B 134 7.877 4.890 0.808 1.00 0.00 H new ATOM 0 HA THR B 134 7.806 7.743 0.750 1.00 0.00 H new ATOM 0 HB THR B 134 10.095 5.823 0.363 1.00 0.00 H new ATOM 0 HG1 THR B 134 10.311 6.182 2.684 1.00 0.00 H new ATOM 0 HG21 THR B 134 11.459 7.676 1.293 1.00 0.00 H new ATOM 0 HG22 THR B 134 10.651 8.155 -0.218 1.00 0.00 H new ATOM 0 HG23 THR B 134 10.009 8.707 1.348 1.00 0.00 H new ATOM 2056 N VAL B 135 7.760 8.231 -1.695 1.00 0.00 N ATOM 2057 CA VAL B 135 7.831 8.728 -3.087 1.00 0.00 C ATOM 2058 C VAL B 135 8.717 9.980 -3.208 1.00 0.00 C ATOM 2059 O VAL B 135 8.699 10.855 -2.343 1.00 0.00 O ATOM 2060 CB VAL B 135 6.420 8.961 -3.690 1.00 0.00 C ATOM 2061 CG1 VAL B 135 5.563 9.986 -2.927 1.00 0.00 C ATOM 2062 CG2 VAL B 135 6.497 9.363 -5.174 1.00 0.00 C ATOM 0 H VAL B 135 7.180 8.819 -1.096 1.00 0.00 H new ATOM 0 HA VAL B 135 8.306 7.945 -3.678 1.00 0.00 H new ATOM 0 HB VAL B 135 5.921 7.997 -3.591 1.00 0.00 H new ATOM 0 HG11 VAL B 135 4.594 10.087 -3.417 1.00 0.00 H new ATOM 0 HG12 VAL B 135 5.418 9.647 -1.901 1.00 0.00 H new ATOM 0 HG13 VAL B 135 6.069 10.951 -2.922 1.00 0.00 H new ATOM 0 HG21 VAL B 135 5.490 9.518 -5.562 1.00 0.00 H new ATOM 0 HG22 VAL B 135 7.069 10.286 -5.272 1.00 0.00 H new ATOM 0 HG23 VAL B 135 6.986 8.571 -5.741 1.00 0.00 H new ATOM 2072 N SER B 136 9.470 10.077 -4.306 1.00 0.00 N ATOM 2073 CA SER B 136 10.296 11.236 -4.681 1.00 0.00 C ATOM 2074 C SER B 136 9.911 11.755 -6.081 1.00 0.00 C ATOM 2075 O SER B 136 9.914 10.992 -7.048 1.00 0.00 O ATOM 2076 CB SER B 136 11.781 10.834 -4.694 1.00 0.00 C ATOM 2077 OG SER B 136 12.246 10.399 -3.419 1.00 0.00 O ATOM 0 H SER B 136 9.526 9.321 -4.989 1.00 0.00 H new ATOM 0 HA SER B 136 10.125 12.025 -3.948 1.00 0.00 H new ATOM 0 HB2 SER B 136 11.931 10.036 -5.422 1.00 0.00 H new ATOM 0 HB3 SER B 136 12.380 11.683 -5.024 1.00 0.00 H new ATOM 0 HG SER B 136 13.193 10.154 -3.482 1.00 0.00 H new ATOM 2083 N TYR B 137 9.609 13.052 -6.217 1.00 0.00 N ATOM 2084 CA TYR B 137 9.391 13.724 -7.512 1.00 0.00 C ATOM 2085 C TYR B 137 10.716 14.245 -8.097 1.00 0.00 C ATOM 2086 O TYR B 137 11.449 14.972 -7.411 1.00 0.00 O ATOM 2087 CB TYR B 137 8.386 14.869 -7.311 1.00 0.00 C ATOM 2088 CG TYR B 137 8.220 15.810 -8.492 1.00 0.00 C ATOM 2089 CD1 TYR B 137 7.776 15.329 -9.741 1.00 0.00 C ATOM 2090 CD2 TYR B 137 8.478 17.186 -8.332 1.00 0.00 C ATOM 2091 CE1 TYR B 137 7.584 16.218 -10.815 1.00 0.00 C ATOM 2092 CE2 TYR B 137 8.283 18.077 -9.402 1.00 0.00 C ATOM 2093 CZ TYR B 137 7.817 17.599 -10.647 1.00 0.00 C ATOM 2094 OH TYR B 137 7.573 18.469 -11.667 1.00 0.00 O ATOM 0 H TYR B 137 9.507 13.678 -5.418 1.00 0.00 H new ATOM 0 HA TYR B 137 8.987 13.008 -8.228 1.00 0.00 H new ATOM 0 HB2 TYR B 137 7.414 14.438 -7.073 1.00 0.00 H new ATOM 0 HB3 TYR B 137 8.696 15.453 -6.445 1.00 0.00 H new ATOM 0 HD1 TYR B 137 7.583 14.275 -9.874 1.00 0.00 H new ATOM 0 HD2 TYR B 137 8.828 17.559 -7.381 1.00 0.00 H new ATOM 0 HE1 TYR B 137 7.257 15.841 -11.773 1.00 0.00 H new ATOM 0 HE2 TYR B 137 8.490 19.129 -9.272 1.00 0.00 H new ATOM 0 HH TYR B 137 7.787 19.380 -11.378 1.00 0.00 H new ATOM 2104 N LEU B 138 11.025 13.879 -9.349 1.00 0.00 N ATOM 2105 CA LEU B 138 12.330 14.119 -9.983 1.00 0.00 C ATOM 2106 C LEU B 138 12.271 14.125 -11.526 1.00 0.00 C ATOM 2107 O LEU B 138 13.035 13.426 -12.199 1.00 0.00 O ATOM 2108 CB LEU B 138 13.396 13.169 -9.370 1.00 0.00 C ATOM 2109 CG LEU B 138 13.018 11.682 -9.147 1.00 0.00 C ATOM 2110 CD1 LEU B 138 12.593 10.938 -10.420 1.00 0.00 C ATOM 2111 CD2 LEU B 138 14.212 10.953 -8.514 1.00 0.00 C ATOM 0 H LEU B 138 10.364 13.400 -9.960 1.00 0.00 H new ATOM 0 HA LEU B 138 12.646 15.137 -9.754 1.00 0.00 H new ATOM 0 HB2 LEU B 138 14.274 13.195 -10.015 1.00 0.00 H new ATOM 0 HB3 LEU B 138 13.695 13.583 -8.407 1.00 0.00 H new ATOM 0 HG LEU B 138 12.148 11.683 -8.491 1.00 0.00 H new ATOM 0 HD11 LEU B 138 12.346 9.905 -10.173 1.00 0.00 H new ATOM 0 HD12 LEU B 138 11.720 11.426 -10.852 1.00 0.00 H new ATOM 0 HD13 LEU B 138 13.411 10.953 -11.140 1.00 0.00 H new ATOM 0 HD21 LEU B 138 13.955 9.906 -8.353 1.00 0.00 H new ATOM 0 HD22 LEU B 138 15.072 11.018 -9.180 1.00 0.00 H new ATOM 0 HD23 LEU B 138 14.457 11.417 -7.559 1.00 0.00 H new ATOM 2123 N GLY B 139 11.417 14.980 -12.100 1.00 0.00 N ATOM 2124 CA GLY B 139 11.453 15.315 -13.529 1.00 0.00 C ATOM 2125 C GLY B 139 10.168 15.905 -14.107 1.00 0.00 C ATOM 2126 O GLY B 139 9.069 15.659 -13.612 1.00 0.00 O ATOM 0 H GLY B 139 10.679 15.461 -11.585 1.00 0.00 H new ATOM 0 HA2 GLY B 139 12.263 16.025 -13.696 1.00 0.00 H new ATOM 0 HA3 GLY B 139 11.699 14.412 -14.088 1.00 0.00 H new ATOM 2130 N LEU B 140 10.326 16.668 -15.188 1.00 0.00 N ATOM 2131 CA LEU B 140 9.301 17.501 -15.824 1.00 0.00 C ATOM 2132 C LEU B 140 9.584 17.548 -17.331 1.00 0.00 C ATOM 2133 O LEU B 140 10.730 17.757 -17.732 1.00 0.00 O ATOM 2134 CB LEU B 140 9.355 18.883 -15.134 1.00 0.00 C ATOM 2135 CG LEU B 140 8.369 19.985 -15.581 1.00 0.00 C ATOM 2136 CD1 LEU B 140 8.787 20.655 -16.899 1.00 0.00 C ATOM 2137 CD2 LEU B 140 6.916 19.491 -15.646 1.00 0.00 C ATOM 0 H LEU B 140 11.222 16.726 -15.672 1.00 0.00 H new ATOM 0 HA LEU B 140 8.290 17.109 -15.712 1.00 0.00 H new ATOM 0 HB2 LEU B 140 9.207 18.723 -14.066 1.00 0.00 H new ATOM 0 HB3 LEU B 140 10.364 19.274 -15.261 1.00 0.00 H new ATOM 0 HG LEU B 140 8.414 20.747 -14.803 1.00 0.00 H new ATOM 0 HD11 LEU B 140 8.058 21.421 -17.165 1.00 0.00 H new ATOM 0 HD12 LEU B 140 9.768 21.114 -16.779 1.00 0.00 H new ATOM 0 HD13 LEU B 140 8.831 19.906 -17.690 1.00 0.00 H new ATOM 0 HD21 LEU B 140 6.268 20.307 -15.966 1.00 0.00 H new ATOM 0 HD22 LEU B 140 6.843 18.669 -16.358 1.00 0.00 H new ATOM 0 HD23 LEU B 140 6.605 19.145 -14.660 1.00 0.00 H new ATOM 2149 N GLU B 141 8.563 17.308 -18.158 1.00 0.00 N ATOM 2150 CA GLU B 141 8.699 17.022 -19.599 1.00 0.00 C ATOM 2151 C GLU B 141 7.592 17.624 -20.475 1.00 0.00 C ATOM 2152 O GLU B 141 6.439 17.791 -20.017 1.00 0.00 O ATOM 2153 CB GLU B 141 8.761 15.490 -19.782 1.00 0.00 C ATOM 2154 CG GLU B 141 10.026 14.806 -19.239 1.00 0.00 C ATOM 2155 CD GLU B 141 11.353 15.341 -19.803 1.00 0.00 C ATOM 2156 OE1 GLU B 141 11.409 15.914 -20.925 1.00 0.00 O ATOM 2157 OE2 GLU B 141 12.399 15.113 -19.140 1.00 0.00 O ATOM 2158 OXT GLU B 141 7.897 17.934 -21.651 1.00 0.00 O ATOM 0 H GLU B 141 7.593 17.306 -17.842 1.00 0.00 H new ATOM 0 HA GLU B 141 9.616 17.503 -19.940 1.00 0.00 H new ATOM 0 HB2 GLU B 141 7.893 15.048 -19.293 1.00 0.00 H new ATOM 0 HB3 GLU B 141 8.676 15.266 -20.845 1.00 0.00 H new ATOM 0 HG2 GLU B 141 10.041 14.914 -18.154 1.00 0.00 H new ATOM 0 HG3 GLU B 141 9.963 13.739 -19.452 1.00 0.00 H new TER 2165 GLU B 141 HETATM 2166 CU CU A 142 5.540 -4.443 -3.005 1.00 0.00 CU