USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 629 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 43 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.867 (180deg=0.459) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0506 X(o=-0.051,f=-0.051) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0436 USER MOD Single : A 17 GLN : amide:sc= 0.338 K(o=0.34,f=-4.7!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.0458 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0259 X(o=-0.026,f=-0.026) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 53 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.11) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 68:sc= 0.326 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 76 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000681) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.644 -15.718 7.817 1.00 0.00 N ATOM 2 CA MET A 1 -26.665 -14.598 7.879 1.00 0.00 C ATOM 3 C MET A 1 -25.234 -15.128 7.738 1.00 0.00 C ATOM 4 O MET A 1 -24.985 -16.314 7.964 1.00 0.00 O ATOM 5 CB MET A 1 -26.802 -13.767 9.175 1.00 0.00 C ATOM 6 CG MET A 1 -28.060 -12.885 9.214 1.00 0.00 C ATOM 7 SD MET A 1 -29.640 -13.753 9.445 1.00 0.00 S ATOM 8 CE MET A 1 -30.764 -12.328 9.476 1.00 0.00 C ATOM 0 H1 MET A 1 -28.502 -15.458 8.344 1.00 0.00 H new ATOM 0 H2 MET A 1 -27.891 -15.909 6.825 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.223 -16.570 8.239 1.00 0.00 H new ATOM 0 HA MET A 1 -26.887 -13.934 7.044 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.817 -14.443 10.030 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.922 -13.134 9.285 1.00 0.00 H new ATOM 0 HG2 MET A 1 -27.946 -12.160 10.020 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.112 -12.320 8.283 1.00 0.00 H new ATOM 0 HE1 MET A 1 -31.788 -12.675 9.612 1.00 0.00 H new ATOM 0 HE2 MET A 1 -30.492 -11.668 10.300 1.00 0.00 H new ATOM 0 HE3 MET A 1 -30.687 -11.784 8.535 1.00 0.00 H new ATOM 20 N HIS A 2 -24.283 -14.255 7.386 1.00 0.00 N ATOM 21 CA HIS A 2 -22.856 -14.570 7.230 1.00 0.00 C ATOM 22 C HIS A 2 -21.996 -13.555 8.005 1.00 0.00 C ATOM 23 O HIS A 2 -22.001 -12.361 7.688 1.00 0.00 O ATOM 24 CB HIS A 2 -22.487 -14.596 5.735 1.00 0.00 C ATOM 25 CG HIS A 2 -23.316 -15.557 4.913 1.00 0.00 C ATOM 26 ND1 HIS A 2 -24.387 -15.222 4.113 1.00 0.00 N ATOM 27 CD2 HIS A 2 -23.146 -16.914 4.835 1.00 0.00 C ATOM 28 CE1 HIS A 2 -24.859 -16.354 3.560 1.00 0.00 C ATOM 29 NE2 HIS A 2 -24.133 -17.411 3.973 1.00 0.00 N ATOM 0 H HIS A 2 -24.492 -13.275 7.195 1.00 0.00 H new ATOM 0 HA HIS A 2 -22.657 -15.557 7.646 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -22.601 -13.592 5.326 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -21.435 -14.863 5.636 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -22.390 -17.494 5.344 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -25.699 -16.408 2.883 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -24.275 -18.386 3.709 1.00 0.00 H new ATOM 37 N HIS A 3 -21.280 -14.013 9.036 1.00 0.00 N ATOM 38 CA HIS A 3 -20.403 -13.196 9.886 1.00 0.00 C ATOM 39 C HIS A 3 -19.028 -13.856 10.073 1.00 0.00 C ATOM 40 O HIS A 3 -18.928 -15.068 10.287 1.00 0.00 O ATOM 41 CB HIS A 3 -21.091 -12.943 11.237 1.00 0.00 C ATOM 42 CG HIS A 3 -20.254 -12.102 12.172 1.00 0.00 C ATOM 43 ND1 HIS A 3 -19.490 -12.570 13.220 1.00 0.00 N ATOM 44 CD2 HIS A 3 -20.071 -10.748 12.097 1.00 0.00 C ATOM 45 CE1 HIS A 3 -18.856 -11.520 13.770 1.00 0.00 C ATOM 46 NE2 HIS A 3 -19.179 -10.388 13.117 1.00 0.00 N ATOM 0 H HIS A 3 -21.294 -14.995 9.313 1.00 0.00 H new ATOM 0 HA HIS A 3 -20.229 -12.239 9.394 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -22.046 -12.446 11.066 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -21.310 -13.899 11.713 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -20.529 -10.080 11.383 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -18.184 -11.576 14.614 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -18.840 -9.449 13.324 1.00 0.00 H new ATOM 54 N HIS A 4 -17.969 -13.043 10.006 1.00 0.00 N ATOM 55 CA HIS A 4 -16.564 -13.451 10.092 1.00 0.00 C ATOM 56 C HIS A 4 -15.766 -12.428 10.920 1.00 0.00 C ATOM 57 O HIS A 4 -15.717 -11.245 10.567 1.00 0.00 O ATOM 58 CB HIS A 4 -15.976 -13.583 8.675 1.00 0.00 C ATOM 59 CG HIS A 4 -16.717 -14.555 7.786 1.00 0.00 C ATOM 60 ND1 HIS A 4 -16.531 -15.920 7.738 1.00 0.00 N ATOM 61 CD2 HIS A 4 -17.713 -14.239 6.899 1.00 0.00 C ATOM 62 CE1 HIS A 4 -17.400 -16.421 6.843 1.00 0.00 C ATOM 63 NE2 HIS A 4 -18.143 -15.434 6.306 1.00 0.00 N ATOM 0 H HIS A 4 -18.073 -12.036 9.885 1.00 0.00 H new ATOM 0 HA HIS A 4 -16.498 -14.419 10.590 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -15.976 -12.602 8.201 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.936 -13.899 8.753 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -18.096 -13.250 6.694 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -17.490 -17.467 6.590 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -18.876 -15.536 5.604 1.00 0.00 H new ATOM 71 N HIS A 5 -15.155 -12.864 12.027 1.00 0.00 N ATOM 72 CA HIS A 5 -14.277 -12.013 12.843 1.00 0.00 C ATOM 73 C HIS A 5 -13.019 -11.557 12.069 1.00 0.00 C ATOM 74 O HIS A 5 -12.566 -12.226 11.133 1.00 0.00 O ATOM 75 CB HIS A 5 -13.906 -12.738 14.149 1.00 0.00 C ATOM 76 CG HIS A 5 -12.859 -13.822 14.006 1.00 0.00 C ATOM 77 ND1 HIS A 5 -11.548 -13.731 14.424 1.00 0.00 N ATOM 78 CD2 HIS A 5 -13.034 -15.065 13.457 1.00 0.00 C ATOM 79 CE1 HIS A 5 -10.939 -14.894 14.128 1.00 0.00 C ATOM 80 NE2 HIS A 5 -11.806 -15.736 13.537 1.00 0.00 N ATOM 0 H HIS A 5 -15.254 -13.815 12.383 1.00 0.00 H new ATOM 0 HA HIS A 5 -14.827 -11.106 13.092 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -13.547 -12.000 14.867 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -14.809 -13.180 14.570 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -13.950 -15.456 13.039 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -9.903 -15.119 14.335 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -11.608 -16.682 13.210 1.00 0.00 H new ATOM 88 N HIS A 6 -12.431 -10.432 12.482 1.00 0.00 N ATOM 89 CA HIS A 6 -11.195 -9.870 11.924 1.00 0.00 C ATOM 90 C HIS A 6 -10.411 -9.098 13.005 1.00 0.00 C ATOM 91 O HIS A 6 -11.005 -8.557 13.945 1.00 0.00 O ATOM 92 CB HIS A 6 -11.568 -8.974 10.726 1.00 0.00 C ATOM 93 CG HIS A 6 -10.405 -8.456 9.912 1.00 0.00 C ATOM 94 ND1 HIS A 6 -9.285 -9.167 9.526 1.00 0.00 N ATOM 95 CD2 HIS A 6 -10.312 -7.206 9.361 1.00 0.00 C ATOM 96 CE1 HIS A 6 -8.516 -8.348 8.784 1.00 0.00 C ATOM 97 NE2 HIS A 6 -9.111 -7.152 8.640 1.00 0.00 N ATOM 0 H HIS A 6 -12.814 -9.867 13.240 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.538 -10.668 11.577 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -12.228 -9.537 10.066 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.138 -8.122 11.096 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -11.032 -6.408 9.463 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -7.557 -8.614 8.364 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.757 -6.357 8.108 1.00 0.00 H new ATOM 105 N HIS A 7 -9.082 -9.045 12.882 1.00 0.00 N ATOM 106 CA HIS A 7 -8.161 -8.442 13.853 1.00 0.00 C ATOM 107 C HIS A 7 -7.144 -7.528 13.145 1.00 0.00 C ATOM 108 O HIS A 7 -6.095 -7.980 12.680 1.00 0.00 O ATOM 109 CB HIS A 7 -7.497 -9.554 14.684 1.00 0.00 C ATOM 110 CG HIS A 7 -6.606 -9.026 15.783 1.00 0.00 C ATOM 111 ND1 HIS A 7 -5.325 -8.540 15.628 1.00 0.00 N ATOM 112 CD2 HIS A 7 -6.931 -8.930 17.110 1.00 0.00 C ATOM 113 CE1 HIS A 7 -4.885 -8.146 16.836 1.00 0.00 C ATOM 114 NE2 HIS A 7 -5.830 -8.366 17.770 1.00 0.00 N ATOM 0 H HIS A 7 -8.598 -9.435 12.073 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.712 -7.802 14.542 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -8.272 -10.182 15.124 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -6.909 -10.190 14.023 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -7.863 -9.233 17.564 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -3.914 -7.715 17.029 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -5.758 -8.161 18.767 1.00 0.00 H new ATOM 122 N SER A 8 -7.471 -6.239 13.036 1.00 0.00 N ATOM 123 CA SER A 8 -6.635 -5.199 12.415 1.00 0.00 C ATOM 124 C SER A 8 -5.631 -4.607 13.416 1.00 0.00 C ATOM 125 O SER A 8 -5.970 -3.689 14.170 1.00 0.00 O ATOM 126 CB SER A 8 -7.520 -4.077 11.846 1.00 0.00 C ATOM 127 OG SER A 8 -8.471 -4.593 10.926 1.00 0.00 O ATOM 0 H SER A 8 -8.355 -5.873 13.389 1.00 0.00 H new ATOM 0 HA SER A 8 -6.073 -5.668 11.607 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.036 -3.568 12.660 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.896 -3.333 11.350 1.00 0.00 H new ATOM 0 HG SER A 8 -9.022 -3.860 10.580 1.00 0.00 H new ATOM 133 N SER A 9 -4.398 -5.125 13.462 1.00 0.00 N ATOM 134 CA SER A 9 -3.325 -4.541 14.285 1.00 0.00 C ATOM 135 C SER A 9 -2.837 -3.193 13.721 1.00 0.00 C ATOM 136 O SER A 9 -2.693 -3.034 12.505 1.00 0.00 O ATOM 137 CB SER A 9 -2.153 -5.517 14.402 1.00 0.00 C ATOM 138 OG SER A 9 -1.208 -5.025 15.341 1.00 0.00 O ATOM 0 H SER A 9 -4.115 -5.952 12.937 1.00 0.00 H new ATOM 0 HA SER A 9 -3.739 -4.355 15.276 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.514 -6.497 14.715 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.679 -5.648 13.429 1.00 0.00 H new ATOM 0 HG SER A 9 -0.460 -5.655 15.413 1.00 0.00 H new ATOM 144 N GLY A 10 -2.555 -2.227 14.604 1.00 0.00 N ATOM 145 CA GLY A 10 -2.115 -0.866 14.266 1.00 0.00 C ATOM 146 C GLY A 10 -3.276 0.084 13.936 1.00 0.00 C ATOM 147 O GLY A 10 -4.024 -0.145 12.983 1.00 0.00 O ATOM 0 H GLY A 10 -2.629 -2.376 15.610 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.547 -0.457 15.102 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.438 -0.912 13.413 1.00 0.00 H new ATOM 151 N LEU A 11 -3.427 1.157 14.722 1.00 0.00 N ATOM 152 CA LEU A 11 -4.471 2.179 14.560 1.00 0.00 C ATOM 153 C LEU A 11 -3.931 3.577 14.929 1.00 0.00 C ATOM 154 O LEU A 11 -3.817 3.911 16.109 1.00 0.00 O ATOM 155 CB LEU A 11 -5.702 1.765 15.397 1.00 0.00 C ATOM 156 CG LEU A 11 -6.977 2.578 15.102 1.00 0.00 C ATOM 157 CD1 LEU A 11 -7.535 2.287 13.705 1.00 0.00 C ATOM 158 CD2 LEU A 11 -8.062 2.219 16.119 1.00 0.00 C ATOM 0 H LEU A 11 -2.809 1.344 15.511 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.779 2.246 13.517 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.909 0.710 15.218 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.458 1.867 16.454 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.705 3.632 15.163 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.433 2.882 13.541 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.788 2.543 12.954 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.781 1.228 13.625 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.963 2.795 15.909 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.287 1.155 16.050 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.710 2.451 17.124 1.00 0.00 H new ATOM 170 N VAL A 12 -3.583 4.378 13.912 1.00 0.00 N ATOM 171 CA VAL A 12 -2.969 5.724 13.998 1.00 0.00 C ATOM 172 C VAL A 12 -1.718 5.758 14.913 1.00 0.00 C ATOM 173 O VAL A 12 -1.801 6.186 16.070 1.00 0.00 O ATOM 174 CB VAL A 12 -4.011 6.815 14.350 1.00 0.00 C ATOM 175 CG1 VAL A 12 -3.430 8.226 14.175 1.00 0.00 C ATOM 176 CG2 VAL A 12 -5.251 6.737 13.444 1.00 0.00 C ATOM 0 H VAL A 12 -3.729 4.092 12.944 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.601 5.963 13.000 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.284 6.632 15.389 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.188 8.966 14.431 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.568 8.348 14.831 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.121 8.366 13.139 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.956 7.519 13.724 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.952 6.874 12.405 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.725 5.762 13.560 1.00 0.00 H new ATOM 186 N PRO A 13 -0.544 5.300 14.425 1.00 0.00 N ATOM 187 CA PRO A 13 0.715 5.330 15.182 1.00 0.00 C ATOM 188 C PRO A 13 1.273 6.758 15.356 1.00 0.00 C ATOM 189 O PRO A 13 0.805 7.712 14.720 1.00 0.00 O ATOM 190 CB PRO A 13 1.672 4.429 14.390 1.00 0.00 C ATOM 191 CG PRO A 13 1.191 4.580 12.948 1.00 0.00 C ATOM 192 CD PRO A 13 -0.322 4.728 13.101 1.00 0.00 C ATOM 0 HA PRO A 13 0.572 4.977 16.203 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.709 4.747 14.503 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.618 3.393 14.725 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.634 5.450 12.464 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.452 3.712 12.343 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -0.730 5.375 12.324 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.819 3.763 13.006 1.00 0.00 H new ATOM 200 N ARG A 14 2.301 6.909 16.207 1.00 0.00 N ATOM 201 CA ARG A 14 2.949 8.192 16.561 1.00 0.00 C ATOM 202 C ARG A 14 4.475 8.081 16.516 1.00 0.00 C ATOM 203 O ARG A 14 5.055 7.162 17.095 1.00 0.00 O ATOM 204 CB ARG A 14 2.427 8.648 17.943 1.00 0.00 C ATOM 205 CG ARG A 14 2.615 10.149 18.246 1.00 0.00 C ATOM 206 CD ARG A 14 3.998 10.577 18.765 1.00 0.00 C ATOM 207 NE ARG A 14 4.263 10.091 20.136 1.00 0.00 N ATOM 208 CZ ARG A 14 5.311 10.384 20.889 1.00 0.00 C ATOM 209 NH1 ARG A 14 6.290 11.129 20.457 1.00 0.00 N ATOM 210 NH2 ARG A 14 5.395 9.936 22.109 1.00 0.00 N ATOM 0 H ARG A 14 2.723 6.114 16.688 1.00 0.00 H new ATOM 0 HA ARG A 14 2.688 8.951 15.824 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.366 8.409 18.011 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.934 8.070 18.715 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.404 10.710 17.335 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.868 10.444 18.983 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.768 10.198 18.093 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.068 11.665 18.749 1.00 0.00 H new ATOM 0 HE ARG A 14 3.567 9.466 20.543 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.264 11.507 19.510 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.082 11.334 21.066 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.649 9.354 22.491 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.206 10.167 22.682 1.00 0.00 H new ATOM 224 N GLY A 15 5.123 9.025 15.833 1.00 0.00 N ATOM 225 CA GLY A 15 6.577 9.136 15.662 1.00 0.00 C ATOM 226 C GLY A 15 7.030 8.614 14.297 1.00 0.00 C ATOM 227 O GLY A 15 7.679 9.328 13.528 1.00 0.00 O ATOM 0 H GLY A 15 4.622 9.775 15.357 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.877 10.178 15.770 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.080 8.576 16.450 1.00 0.00 H new ATOM 231 N SER A 16 6.650 7.379 13.972 1.00 0.00 N ATOM 232 CA SER A 16 6.920 6.675 12.711 1.00 0.00 C ATOM 233 C SER A 16 6.072 7.166 11.518 1.00 0.00 C ATOM 234 O SER A 16 5.477 6.367 10.799 1.00 0.00 O ATOM 235 CB SER A 16 6.785 5.161 12.952 1.00 0.00 C ATOM 236 OG SER A 16 5.579 4.845 13.637 1.00 0.00 O ATOM 0 H SER A 16 6.112 6.804 14.620 1.00 0.00 H new ATOM 0 HA SER A 16 7.941 6.907 12.410 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.810 4.636 11.997 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.637 4.807 13.532 1.00 0.00 H new ATOM 0 HG SER A 16 5.524 3.876 13.772 1.00 0.00 H new ATOM 242 N GLN A 17 6.034 8.479 11.253 1.00 0.00 N ATOM 243 CA GLN A 17 5.350 9.044 10.076 1.00 0.00 C ATOM 244 C GLN A 17 6.038 8.611 8.764 1.00 0.00 C ATOM 245 O GLN A 17 5.482 7.826 7.993 1.00 0.00 O ATOM 246 CB GLN A 17 5.241 10.579 10.170 1.00 0.00 C ATOM 247 CG GLN A 17 4.155 11.075 11.142 1.00 0.00 C ATOM 248 CD GLN A 17 4.567 11.031 12.611 1.00 0.00 C ATOM 249 OE1 GLN A 17 4.143 10.185 13.388 1.00 0.00 O ATOM 250 NE2 GLN A 17 5.400 11.948 13.059 1.00 0.00 N ATOM 0 H GLN A 17 6.476 9.181 11.847 1.00 0.00 H new ATOM 0 HA GLN A 17 4.336 8.643 10.065 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.204 10.982 10.482 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.035 10.979 9.177 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.889 12.099 10.881 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.259 10.469 11.009 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.763 12.660 12.426 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.682 11.946 14.039 1.00 0.00 H new ATOM 259 N GLU A 18 7.255 9.102 8.501 1.00 0.00 N ATOM 260 CA GLU A 18 8.020 8.744 7.293 1.00 0.00 C ATOM 261 C GLU A 18 8.480 7.275 7.288 1.00 0.00 C ATOM 262 O GLU A 18 8.495 6.634 6.235 1.00 0.00 O ATOM 263 CB GLU A 18 9.208 9.707 7.093 1.00 0.00 C ATOM 264 CG GLU A 18 10.294 9.635 8.177 1.00 0.00 C ATOM 265 CD GLU A 18 11.395 10.684 7.924 1.00 0.00 C ATOM 266 OE1 GLU A 18 12.350 10.398 7.160 1.00 0.00 O ATOM 267 OE2 GLU A 18 11.319 11.801 8.490 1.00 0.00 O ATOM 0 H GLU A 18 7.739 9.757 9.115 1.00 0.00 H new ATOM 0 HA GLU A 18 7.342 8.851 6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.667 9.498 6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.826 10.727 7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.847 9.801 9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.733 8.637 8.192 1.00 0.00 H new ATOM 274 N ILE A 19 8.816 6.722 8.461 1.00 0.00 N ATOM 275 CA ILE A 19 9.311 5.347 8.603 1.00 0.00 C ATOM 276 C ILE A 19 8.248 4.335 8.159 1.00 0.00 C ATOM 277 O ILE A 19 8.577 3.410 7.423 1.00 0.00 O ATOM 278 CB ILE A 19 9.845 5.062 10.030 1.00 0.00 C ATOM 279 CG1 ILE A 19 10.998 6.027 10.416 1.00 0.00 C ATOM 280 CG2 ILE A 19 10.376 3.619 10.123 1.00 0.00 C ATOM 281 CD1 ILE A 19 10.544 7.248 11.226 1.00 0.00 C ATOM 0 H ILE A 19 8.751 7.223 9.347 1.00 0.00 H new ATOM 0 HA ILE A 19 10.166 5.232 7.937 1.00 0.00 H new ATOM 0 HB ILE A 19 9.011 5.209 10.716 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.741 5.477 10.993 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.491 6.370 9.506 1.00 0.00 H new ATOM 0 HG21 ILE A 19 10.748 3.432 11.130 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.571 2.920 9.898 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.186 3.482 9.406 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.407 7.873 11.457 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.824 7.824 10.644 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.078 6.916 12.154 1.00 0.00 H new ATOM 293 N GLU A 20 6.975 4.521 8.522 1.00 0.00 N ATOM 294 CA GLU A 20 5.877 3.675 8.029 1.00 0.00 C ATOM 295 C GLU A 20 5.755 3.693 6.498 1.00 0.00 C ATOM 296 O GLU A 20 5.629 2.635 5.889 1.00 0.00 O ATOM 297 CB GLU A 20 4.537 4.116 8.631 1.00 0.00 C ATOM 298 CG GLU A 20 4.269 3.553 10.034 1.00 0.00 C ATOM 299 CD GLU A 20 3.882 2.063 10.073 1.00 0.00 C ATOM 300 OE1 GLU A 20 3.787 1.372 9.031 1.00 0.00 O ATOM 301 OE2 GLU A 20 3.647 1.541 11.186 1.00 0.00 O ATOM 0 H GLU A 20 6.675 5.257 9.162 1.00 0.00 H new ATOM 0 HA GLU A 20 6.117 2.659 8.342 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.511 5.205 8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.731 3.805 7.966 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.161 3.698 10.644 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.470 4.133 10.496 1.00 0.00 H new ATOM 308 N ALA A 21 5.802 4.871 5.865 1.00 0.00 N ATOM 309 CA ALA A 21 5.711 5.001 4.409 1.00 0.00 C ATOM 310 C ALA A 21 6.860 4.269 3.683 1.00 0.00 C ATOM 311 O ALA A 21 6.622 3.499 2.745 1.00 0.00 O ATOM 312 CB ALA A 21 5.663 6.491 4.051 1.00 0.00 C ATOM 0 H ALA A 21 5.904 5.762 6.351 1.00 0.00 H new ATOM 0 HA ALA A 21 4.796 4.518 4.066 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.595 6.603 2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.792 6.950 4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.568 6.981 4.410 1.00 0.00 H new ATOM 318 N LYS A 22 8.100 4.474 4.146 1.00 0.00 N ATOM 319 CA LYS A 22 9.312 3.783 3.673 1.00 0.00 C ATOM 320 C LYS A 22 9.199 2.267 3.868 1.00 0.00 C ATOM 321 O LYS A 22 9.298 1.512 2.901 1.00 0.00 O ATOM 322 CB LYS A 22 10.546 4.356 4.398 1.00 0.00 C ATOM 323 CG LYS A 22 10.854 5.825 4.041 1.00 0.00 C ATOM 324 CD LYS A 22 11.482 6.044 2.656 1.00 0.00 C ATOM 325 CE LYS A 22 12.913 5.493 2.592 1.00 0.00 C ATOM 326 NZ LYS A 22 13.586 5.867 1.322 1.00 0.00 N ATOM 0 H LYS A 22 8.296 5.148 4.886 1.00 0.00 H new ATOM 0 HA LYS A 22 9.424 3.956 2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.391 4.279 5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.415 3.744 4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.928 6.398 4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.527 6.232 4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.870 5.557 1.897 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.491 7.109 2.424 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.488 5.874 3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.890 4.407 2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.551 5.478 1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.050 5.482 0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.630 6.903 1.244 1.00 0.00 H new ATOM 340 N GLU A 23 8.952 1.820 5.100 1.00 0.00 N ATOM 341 CA GLU A 23 8.821 0.404 5.456 1.00 0.00 C ATOM 342 C GLU A 23 7.671 -0.294 4.719 1.00 0.00 C ATOM 343 O GLU A 23 7.852 -1.429 4.303 1.00 0.00 O ATOM 344 CB GLU A 23 8.645 0.224 6.973 1.00 0.00 C ATOM 345 CG GLU A 23 9.923 0.491 7.782 1.00 0.00 C ATOM 346 CD GLU A 23 10.938 -0.660 7.644 1.00 0.00 C ATOM 347 OE1 GLU A 23 10.829 -1.662 8.394 1.00 0.00 O ATOM 348 OE2 GLU A 23 11.857 -0.571 6.796 1.00 0.00 O ATOM 0 H GLU A 23 8.835 2.446 5.897 1.00 0.00 H new ATOM 0 HA GLU A 23 9.751 -0.069 5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.860 0.895 7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.306 -0.793 7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.380 1.421 7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.667 0.626 8.833 1.00 0.00 H new ATOM 355 N ALA A 24 6.519 0.347 4.497 1.00 0.00 N ATOM 356 CA ALA A 24 5.429 -0.211 3.694 1.00 0.00 C ATOM 357 C ALA A 24 5.888 -0.555 2.267 1.00 0.00 C ATOM 358 O ALA A 24 5.737 -1.692 1.818 1.00 0.00 O ATOM 359 CB ALA A 24 4.247 0.769 3.696 1.00 0.00 C ATOM 0 H ALA A 24 6.316 1.274 4.872 1.00 0.00 H new ATOM 0 HA ALA A 24 5.106 -1.151 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.433 0.358 3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.905 0.924 4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.563 1.722 3.271 1.00 0.00 H new ATOM 365 N CYS A 25 6.487 0.416 1.574 1.00 0.00 N ATOM 366 CA CYS A 25 7.052 0.250 0.235 1.00 0.00 C ATOM 367 C CYS A 25 8.131 -0.854 0.194 1.00 0.00 C ATOM 368 O CYS A 25 8.042 -1.785 -0.611 1.00 0.00 O ATOM 369 CB CYS A 25 7.577 1.624 -0.208 1.00 0.00 C ATOM 370 SG CYS A 25 8.084 1.581 -1.950 1.00 0.00 S ATOM 0 H CYS A 25 6.595 1.363 1.938 1.00 0.00 H new ATOM 0 HA CYS A 25 6.289 -0.092 -0.465 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.803 2.378 -0.067 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.422 1.915 0.416 1.00 0.00 H new ATOM 0 HG CYS A 25 8.522 2.753 -2.303 1.00 0.00 H new ATOM 376 N ASP A 26 9.130 -0.788 1.081 1.00 0.00 N ATOM 377 CA ASP A 26 10.241 -1.751 1.141 1.00 0.00 C ATOM 378 C ASP A 26 9.833 -3.156 1.633 1.00 0.00 C ATOM 379 O ASP A 26 10.454 -4.147 1.243 1.00 0.00 O ATOM 380 CB ASP A 26 11.375 -1.192 2.016 1.00 0.00 C ATOM 381 CG ASP A 26 12.137 -0.028 1.353 1.00 0.00 C ATOM 382 OD1 ASP A 26 12.447 -0.111 0.139 1.00 0.00 O ATOM 383 OD2 ASP A 26 12.486 0.950 2.058 1.00 0.00 O ATOM 0 H ASP A 26 9.193 -0.055 1.788 1.00 0.00 H new ATOM 0 HA ASP A 26 10.583 -1.882 0.114 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.959 -0.852 2.964 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.077 -1.994 2.245 1.00 0.00 H new ATOM 388 N TRP A 27 8.788 -3.282 2.453 1.00 0.00 N ATOM 389 CA TRP A 27 8.272 -4.571 2.920 1.00 0.00 C ATOM 390 C TRP A 27 7.486 -5.310 1.831 1.00 0.00 C ATOM 391 O TRP A 27 7.665 -6.516 1.667 1.00 0.00 O ATOM 392 CB TRP A 27 7.411 -4.385 4.174 1.00 0.00 C ATOM 393 CG TRP A 27 6.902 -5.667 4.744 1.00 0.00 C ATOM 394 CD1 TRP A 27 7.557 -6.433 5.647 1.00 0.00 C ATOM 395 CD2 TRP A 27 5.692 -6.401 4.384 1.00 0.00 C ATOM 396 NE1 TRP A 27 6.845 -7.597 5.861 1.00 0.00 N ATOM 397 CE2 TRP A 27 5.713 -7.646 5.076 1.00 0.00 C ATOM 398 CE3 TRP A 27 4.601 -6.163 3.518 1.00 0.00 C ATOM 399 CZ2 TRP A 27 4.724 -8.618 4.894 1.00 0.00 C ATOM 400 CZ3 TRP A 27 3.594 -7.130 3.337 1.00 0.00 C ATOM 401 CH2 TRP A 27 3.655 -8.358 4.016 1.00 0.00 C ATOM 0 H TRP A 27 8.270 -2.482 2.816 1.00 0.00 H new ATOM 0 HA TRP A 27 9.133 -5.190 3.171 1.00 0.00 H new ATOM 0 HB2 TRP A 27 7.997 -3.867 4.933 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.564 -3.743 3.931 1.00 0.00 H new ATOM 0 HD1 TRP A 27 8.490 -6.175 6.125 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.122 -8.328 6.517 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.539 -5.225 2.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.780 -9.559 5.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.768 -6.926 2.671 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.885 -9.100 3.865 1.00 0.00 H new ATOM 412 N LEU A 28 6.643 -4.613 1.058 1.00 0.00 N ATOM 413 CA LEU A 28 5.834 -5.218 -0.013 1.00 0.00 C ATOM 414 C LEU A 28 6.698 -5.961 -1.050 1.00 0.00 C ATOM 415 O LEU A 28 6.388 -7.102 -1.405 1.00 0.00 O ATOM 416 CB LEU A 28 4.961 -4.129 -0.664 1.00 0.00 C ATOM 417 CG LEU A 28 3.722 -3.729 0.162 1.00 0.00 C ATOM 418 CD1 LEU A 28 3.120 -2.437 -0.398 1.00 0.00 C ATOM 419 CD2 LEU A 28 2.632 -4.804 0.135 1.00 0.00 C ATOM 0 H LEU A 28 6.501 -3.608 1.157 1.00 0.00 H new ATOM 0 HA LEU A 28 5.186 -5.976 0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.572 -3.242 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.633 -4.480 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 28 4.059 -3.597 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.245 -2.159 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.860 -1.639 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.826 -2.593 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.781 -4.474 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.311 -4.971 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.026 -5.733 0.548 1.00 0.00 H new ATOM 431 N ARG A 29 7.819 -5.367 -1.491 1.00 0.00 N ATOM 432 CA ARG A 29 8.821 -6.053 -2.332 1.00 0.00 C ATOM 433 C ARG A 29 9.466 -7.263 -1.636 1.00 0.00 C ATOM 434 O ARG A 29 9.556 -8.326 -2.247 1.00 0.00 O ATOM 435 CB ARG A 29 9.864 -5.065 -2.901 1.00 0.00 C ATOM 436 CG ARG A 29 10.633 -4.253 -1.849 1.00 0.00 C ATOM 437 CD ARG A 29 11.752 -3.390 -2.439 1.00 0.00 C ATOM 438 NE ARG A 29 12.952 -4.195 -2.754 1.00 0.00 N ATOM 439 CZ ARG A 29 14.208 -3.781 -2.784 1.00 0.00 C ATOM 440 NH1 ARG A 29 14.534 -2.535 -2.585 1.00 0.00 N ATOM 441 NH2 ARG A 29 15.173 -4.626 -3.012 1.00 0.00 N ATOM 0 H ARG A 29 8.058 -4.399 -1.276 1.00 0.00 H new ATOM 0 HA ARG A 29 8.279 -6.466 -3.183 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.581 -5.624 -3.502 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.357 -4.372 -3.573 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.933 -3.610 -1.315 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.061 -4.937 -1.116 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.395 -2.899 -3.344 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.016 -2.603 -1.733 1.00 0.00 H new ATOM 0 HE ARG A 29 12.794 -5.179 -2.972 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.809 -1.842 -2.398 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.514 -2.253 -2.616 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.962 -5.612 -3.168 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.140 -4.302 -3.034 1.00 0.00 H new ATOM 455 N ALA A 30 9.862 -7.139 -0.367 1.00 0.00 N ATOM 456 CA ALA A 30 10.477 -8.219 0.418 1.00 0.00 C ATOM 457 C ALA A 30 9.531 -9.419 0.654 1.00 0.00 C ATOM 458 O ALA A 30 9.974 -10.570 0.654 1.00 0.00 O ATOM 459 CB ALA A 30 10.976 -7.637 1.746 1.00 0.00 C ATOM 0 H ALA A 30 9.763 -6.269 0.156 1.00 0.00 H new ATOM 0 HA ALA A 30 11.312 -8.620 -0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.435 -8.427 2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.712 -6.858 1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.136 -7.212 2.295 1.00 0.00 H new ATOM 465 N ALA A 31 8.227 -9.164 0.794 1.00 0.00 N ATOM 466 CA ALA A 31 7.156 -10.162 0.866 1.00 0.00 C ATOM 467 C ALA A 31 6.894 -10.905 -0.467 1.00 0.00 C ATOM 468 O ALA A 31 6.108 -11.853 -0.497 1.00 0.00 O ATOM 469 CB ALA A 31 5.889 -9.446 1.351 1.00 0.00 C ATOM 0 H ALA A 31 7.872 -8.210 0.864 1.00 0.00 H new ATOM 0 HA ALA A 31 7.465 -10.943 1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.069 -10.161 1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.070 -9.011 2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.626 -8.656 0.648 1.00 0.00 H new ATOM 475 N GLY A 32 7.536 -10.490 -1.567 1.00 0.00 N ATOM 476 CA GLY A 32 7.386 -11.076 -2.903 1.00 0.00 C ATOM 477 C GLY A 32 6.333 -10.390 -3.783 1.00 0.00 C ATOM 478 O GLY A 32 5.986 -10.930 -4.836 1.00 0.00 O ATOM 0 H GLY A 32 8.195 -9.712 -1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.349 -11.038 -3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.123 -12.128 -2.797 1.00 0.00 H new ATOM 482 N PHE A 33 5.828 -9.215 -3.382 1.00 0.00 N ATOM 483 CA PHE A 33 4.776 -8.465 -4.083 1.00 0.00 C ATOM 484 C PHE A 33 5.190 -7.003 -4.397 1.00 0.00 C ATOM 485 O PHE A 33 4.509 -6.058 -3.979 1.00 0.00 O ATOM 486 CB PHE A 33 3.470 -8.548 -3.271 1.00 0.00 C ATOM 487 CG PHE A 33 3.043 -9.933 -2.812 1.00 0.00 C ATOM 488 CD1 PHE A 33 2.753 -10.939 -3.751 1.00 0.00 C ATOM 489 CD2 PHE A 33 2.914 -10.208 -1.435 1.00 0.00 C ATOM 490 CE1 PHE A 33 2.344 -12.215 -3.319 1.00 0.00 C ATOM 491 CE2 PHE A 33 2.497 -11.481 -1.004 1.00 0.00 C ATOM 492 CZ PHE A 33 2.214 -12.484 -1.946 1.00 0.00 C ATOM 0 H PHE A 33 6.150 -8.746 -2.535 1.00 0.00 H new ATOM 0 HA PHE A 33 4.612 -8.925 -5.058 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.575 -7.914 -2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.666 -8.126 -3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.844 -10.732 -4.807 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.136 -9.440 -0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.130 -12.987 -4.043 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.395 -11.687 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.897 -13.462 -1.615 1.00 0.00 H new ATOM 502 N PRO A 34 6.275 -6.771 -5.171 1.00 0.00 N ATOM 503 CA PRO A 34 6.736 -5.421 -5.528 1.00 0.00 C ATOM 504 C PRO A 34 5.741 -4.656 -6.416 1.00 0.00 C ATOM 505 O PRO A 34 5.753 -3.424 -6.440 1.00 0.00 O ATOM 506 CB PRO A 34 8.075 -5.626 -6.245 1.00 0.00 C ATOM 507 CG PRO A 34 7.946 -7.020 -6.855 1.00 0.00 C ATOM 508 CD PRO A 34 7.119 -7.772 -5.813 1.00 0.00 C ATOM 0 HA PRO A 34 6.833 -4.804 -4.635 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.240 -4.867 -7.010 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.914 -5.568 -5.552 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.447 -6.993 -7.824 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.920 -7.485 -7.011 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.515 -8.549 -6.281 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.763 -8.264 -5.085 1.00 0.00 H new ATOM 516 N GLN A 35 4.844 -5.371 -7.107 1.00 0.00 N ATOM 517 CA GLN A 35 3.756 -4.803 -7.908 1.00 0.00 C ATOM 518 C GLN A 35 2.864 -3.840 -7.107 1.00 0.00 C ATOM 519 O GLN A 35 2.509 -2.778 -7.615 1.00 0.00 O ATOM 520 CB GLN A 35 2.949 -5.935 -8.574 1.00 0.00 C ATOM 521 CG GLN A 35 2.192 -6.860 -7.599 1.00 0.00 C ATOM 522 CD GLN A 35 1.578 -8.060 -8.316 1.00 0.00 C ATOM 523 OE1 GLN A 35 2.265 -8.932 -8.834 1.00 0.00 O ATOM 524 NE2 GLN A 35 0.266 -8.165 -8.378 1.00 0.00 N ATOM 0 H GLN A 35 4.857 -6.391 -7.124 1.00 0.00 H new ATOM 0 HA GLN A 35 4.202 -4.191 -8.692 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.229 -5.491 -9.262 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.629 -6.542 -9.172 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.876 -7.210 -6.825 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.406 -6.295 -7.098 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.324 -7.449 -7.953 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.160 -8.962 -8.851 1.00 0.00 H new ATOM 533 N TYR A 36 2.543 -4.161 -5.846 1.00 0.00 N ATOM 534 CA TYR A 36 1.769 -3.275 -4.976 1.00 0.00 C ATOM 535 C TYR A 36 2.540 -1.983 -4.672 1.00 0.00 C ATOM 536 O TYR A 36 2.008 -0.900 -4.899 1.00 0.00 O ATOM 537 CB TYR A 36 1.360 -3.995 -3.684 1.00 0.00 C ATOM 538 CG TYR A 36 0.416 -5.177 -3.853 1.00 0.00 C ATOM 539 CD1 TYR A 36 -0.752 -5.065 -4.637 1.00 0.00 C ATOM 540 CD2 TYR A 36 0.690 -6.388 -3.187 1.00 0.00 C ATOM 541 CE1 TYR A 36 -1.615 -6.169 -4.783 1.00 0.00 C ATOM 542 CE2 TYR A 36 -0.167 -7.495 -3.332 1.00 0.00 C ATOM 543 CZ TYR A 36 -1.323 -7.389 -4.138 1.00 0.00 C ATOM 544 OH TYR A 36 -2.153 -8.456 -4.297 1.00 0.00 O ATOM 0 H TYR A 36 2.813 -5.040 -5.405 1.00 0.00 H new ATOM 0 HA TYR A 36 0.858 -2.997 -5.506 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.263 -4.345 -3.184 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.889 -3.270 -3.020 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.985 -4.131 -5.126 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.565 -6.468 -2.560 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.503 -6.081 -5.391 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.058 -8.423 -2.828 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.807 -9.218 -3.787 1.00 0.00 H new ATOM 554 N ALA A 37 3.800 -2.077 -4.233 1.00 0.00 N ATOM 555 CA ALA A 37 4.659 -0.921 -3.951 1.00 0.00 C ATOM 556 C ALA A 37 4.787 0.040 -5.152 1.00 0.00 C ATOM 557 O ALA A 37 4.630 1.253 -5.002 1.00 0.00 O ATOM 558 CB ALA A 37 6.032 -1.430 -3.498 1.00 0.00 C ATOM 0 H ALA A 37 4.259 -2.972 -4.061 1.00 0.00 H new ATOM 0 HA ALA A 37 4.196 -0.336 -3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.682 -0.582 -3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.917 -2.035 -2.598 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.474 -2.036 -4.289 1.00 0.00 H new ATOM 564 N GLN A 38 5.018 -0.500 -6.355 1.00 0.00 N ATOM 565 CA GLN A 38 5.089 0.266 -7.608 1.00 0.00 C ATOM 566 C GLN A 38 3.801 1.051 -7.933 1.00 0.00 C ATOM 567 O GLN A 38 3.873 2.108 -8.559 1.00 0.00 O ATOM 568 CB GLN A 38 5.439 -0.692 -8.762 1.00 0.00 C ATOM 569 CG GLN A 38 6.941 -1.015 -8.824 1.00 0.00 C ATOM 570 CD GLN A 38 7.760 0.160 -9.364 1.00 0.00 C ATOM 571 OE1 GLN A 38 7.663 0.542 -10.524 1.00 0.00 O ATOM 572 NE2 GLN A 38 8.593 0.789 -8.560 1.00 0.00 N ATOM 0 H GLN A 38 5.164 -1.501 -6.489 1.00 0.00 H new ATOM 0 HA GLN A 38 5.867 1.019 -7.480 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.876 -1.618 -8.645 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.127 -0.247 -9.707 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.297 -1.277 -7.827 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.098 -1.888 -9.458 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.690 0.489 -7.590 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.140 1.576 -8.907 1.00 0.00 H new ATOM 581 N LEU A 39 2.633 0.579 -7.483 1.00 0.00 N ATOM 582 CA LEU A 39 1.326 1.217 -7.691 1.00 0.00 C ATOM 583 C LEU A 39 1.024 2.381 -6.715 1.00 0.00 C ATOM 584 O LEU A 39 -0.038 2.999 -6.823 1.00 0.00 O ATOM 585 CB LEU A 39 0.239 0.119 -7.668 1.00 0.00 C ATOM 586 CG LEU A 39 0.240 -0.792 -8.915 1.00 0.00 C ATOM 587 CD1 LEU A 39 -0.680 -1.991 -8.675 1.00 0.00 C ATOM 588 CD2 LEU A 39 -0.235 -0.082 -10.185 1.00 0.00 C ATOM 0 H LEU A 39 2.568 -0.286 -6.946 1.00 0.00 H new ATOM 0 HA LEU A 39 1.337 1.704 -8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.379 -0.498 -6.780 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.739 0.592 -7.577 1.00 0.00 H new ATOM 0 HG LEU A 39 1.275 -1.099 -9.068 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.678 -2.633 -9.556 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.324 -2.556 -7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.694 -1.639 -8.484 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.210 -0.779 -11.023 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.254 0.276 -10.042 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.420 0.763 -10.396 1.00 0.00 H new ATOM 600 N TYR A 40 1.935 2.723 -5.791 1.00 0.00 N ATOM 601 CA TYR A 40 1.790 3.876 -4.884 1.00 0.00 C ATOM 602 C TYR A 40 1.710 5.213 -5.639 1.00 0.00 C ATOM 603 O TYR A 40 0.700 5.915 -5.561 1.00 0.00 O ATOM 604 CB TYR A 40 2.931 3.906 -3.852 1.00 0.00 C ATOM 605 CG TYR A 40 2.863 5.075 -2.881 1.00 0.00 C ATOM 606 CD1 TYR A 40 1.673 5.351 -2.175 1.00 0.00 C ATOM 607 CD2 TYR A 40 3.990 5.902 -2.695 1.00 0.00 C ATOM 608 CE1 TYR A 40 1.599 6.464 -1.315 1.00 0.00 C ATOM 609 CE2 TYR A 40 3.926 7.006 -1.823 1.00 0.00 C ATOM 610 CZ TYR A 40 2.726 7.297 -1.137 1.00 0.00 C ATOM 611 OH TYR A 40 2.650 8.368 -0.300 1.00 0.00 O ATOM 0 H TYR A 40 2.801 2.203 -5.650 1.00 0.00 H new ATOM 0 HA TYR A 40 0.843 3.747 -4.360 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.917 2.976 -3.284 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.883 3.942 -4.381 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.815 4.706 -2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.907 5.688 -3.224 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.680 6.681 -0.791 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.795 7.631 -1.679 1.00 0.00 H new ATOM 0 HH TYR A 40 3.511 8.836 -0.289 1.00 0.00 H new ATOM 621 N GLU A 41 2.762 5.577 -6.379 1.00 0.00 N ATOM 622 CA GLU A 41 2.852 6.864 -7.094 1.00 0.00 C ATOM 623 C GLU A 41 1.865 6.973 -8.274 1.00 0.00 C ATOM 624 O GLU A 41 1.478 8.076 -8.665 1.00 0.00 O ATOM 625 CB GLU A 41 4.291 7.101 -7.579 1.00 0.00 C ATOM 626 CG GLU A 41 5.292 7.201 -6.418 1.00 0.00 C ATOM 627 CD GLU A 41 6.693 7.598 -6.924 1.00 0.00 C ATOM 628 OE1 GLU A 41 7.437 6.719 -7.423 1.00 0.00 O ATOM 629 OE2 GLU A 41 7.063 8.794 -6.826 1.00 0.00 O ATOM 0 H GLU A 41 3.584 4.986 -6.503 1.00 0.00 H new ATOM 0 HA GLU A 41 2.570 7.639 -6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.587 6.287 -8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.327 8.019 -8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.942 7.937 -5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.347 6.244 -5.898 1.00 0.00 H new ATOM 636 N ASP A 42 1.400 5.838 -8.806 1.00 0.00 N ATOM 637 CA ASP A 42 0.293 5.737 -9.770 1.00 0.00 C ATOM 638 C ASP A 42 -1.098 6.000 -9.145 1.00 0.00 C ATOM 639 O ASP A 42 -2.092 6.096 -9.867 1.00 0.00 O ATOM 640 CB ASP A 42 0.333 4.352 -10.441 1.00 0.00 C ATOM 641 CG ASP A 42 1.394 4.292 -11.554 1.00 0.00 C ATOM 642 OD1 ASP A 42 2.589 4.058 -11.257 1.00 0.00 O ATOM 643 OD2 ASP A 42 1.032 4.477 -12.743 1.00 0.00 O ATOM 0 H ASP A 42 1.797 4.929 -8.570 1.00 0.00 H new ATOM 0 HA ASP A 42 0.436 6.523 -10.511 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.548 3.590 -9.692 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.647 4.121 -10.859 1.00 0.00 H new ATOM 648 N SER A 43 -1.183 6.149 -7.815 1.00 0.00 N ATOM 649 CA SER A 43 -2.413 6.335 -7.027 1.00 0.00 C ATOM 650 C SER A 43 -3.399 5.157 -7.163 1.00 0.00 C ATOM 651 O SER A 43 -4.607 5.329 -7.336 1.00 0.00 O ATOM 652 CB SER A 43 -3.031 7.711 -7.326 1.00 0.00 C ATOM 653 OG SER A 43 -3.751 8.201 -6.206 1.00 0.00 O ATOM 0 H SER A 43 -0.350 6.143 -7.227 1.00 0.00 H new ATOM 0 HA SER A 43 -2.147 6.329 -5.970 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.244 8.416 -7.593 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.697 7.635 -8.186 1.00 0.00 H new ATOM 0 HG SER A 43 -3.858 9.172 -6.285 1.00 0.00 H new ATOM 659 N GLN A 44 -2.863 3.931 -7.097 1.00 0.00 N ATOM 660 CA GLN A 44 -3.566 2.659 -7.335 1.00 0.00 C ATOM 661 C GLN A 44 -3.486 1.687 -6.133 1.00 0.00 C ATOM 662 O GLN A 44 -3.763 0.497 -6.278 1.00 0.00 O ATOM 663 CB GLN A 44 -3.029 2.043 -8.646 1.00 0.00 C ATOM 664 CG GLN A 44 -3.471 2.767 -9.930 1.00 0.00 C ATOM 665 CD GLN A 44 -4.899 2.453 -10.381 1.00 0.00 C ATOM 666 OE1 GLN A 44 -5.786 2.095 -9.614 1.00 0.00 O ATOM 667 NE2 GLN A 44 -5.183 2.559 -11.663 1.00 0.00 N ATOM 0 H GLN A 44 -1.880 3.790 -6.865 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.632 2.857 -7.444 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.940 2.035 -8.607 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.354 1.004 -8.702 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.382 3.842 -9.774 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.784 2.504 -10.734 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.463 2.855 -12.322 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.123 2.345 -11.997 1.00 0.00 H new ATOM 676 N PHE A 45 -3.119 2.168 -4.937 1.00 0.00 N ATOM 677 CA PHE A 45 -3.128 1.396 -3.679 1.00 0.00 C ATOM 678 C PHE A 45 -4.518 0.847 -3.272 1.00 0.00 C ATOM 679 O PHE A 45 -4.628 -0.365 -3.061 1.00 0.00 O ATOM 680 CB PHE A 45 -2.486 2.217 -2.538 1.00 0.00 C ATOM 681 CG PHE A 45 -1.120 1.722 -2.099 1.00 0.00 C ATOM 682 CD1 PHE A 45 -0.100 1.523 -3.048 1.00 0.00 C ATOM 683 CD2 PHE A 45 -0.861 1.463 -0.739 1.00 0.00 C ATOM 684 CE1 PHE A 45 1.166 1.076 -2.636 1.00 0.00 C ATOM 685 CE2 PHE A 45 0.406 1.001 -0.336 1.00 0.00 C ATOM 686 CZ PHE A 45 1.421 0.809 -1.284 1.00 0.00 C ATOM 0 H PHE A 45 -2.799 3.128 -4.811 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.524 0.508 -3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.396 3.255 -2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.156 2.207 -1.678 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.291 1.714 -4.094 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.636 1.619 -0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.949 0.937 -3.367 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.597 0.794 0.707 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.394 0.457 -0.974 1.00 0.00 H new ATOM 696 N PRO A 46 -5.578 1.676 -3.122 1.00 0.00 N ATOM 697 CA PRO A 46 -6.904 1.206 -2.712 1.00 0.00 C ATOM 698 C PRO A 46 -7.654 0.500 -3.858 1.00 0.00 C ATOM 699 O PRO A 46 -8.495 1.090 -4.543 1.00 0.00 O ATOM 700 CB PRO A 46 -7.628 2.448 -2.181 1.00 0.00 C ATOM 701 CG PRO A 46 -7.007 3.593 -2.976 1.00 0.00 C ATOM 702 CD PRO A 46 -5.566 3.135 -3.197 1.00 0.00 C ATOM 0 HA PRO A 46 -6.842 0.439 -1.940 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.704 2.385 -2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.474 2.574 -1.109 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.526 3.753 -3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.049 4.533 -2.426 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.197 3.471 -4.166 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.905 3.557 -2.440 1.00 0.00 H new ATOM 710 N ILE A 47 -7.362 -0.790 -4.048 1.00 0.00 N ATOM 711 CA ILE A 47 -8.001 -1.693 -5.023 1.00 0.00 C ATOM 712 C ILE A 47 -8.508 -2.971 -4.335 1.00 0.00 C ATOM 713 O ILE A 47 -7.920 -4.047 -4.450 1.00 0.00 O ATOM 714 CB ILE A 47 -7.089 -1.971 -6.244 1.00 0.00 C ATOM 715 CG1 ILE A 47 -5.658 -2.420 -5.861 1.00 0.00 C ATOM 716 CG2 ILE A 47 -7.049 -0.722 -7.144 1.00 0.00 C ATOM 717 CD1 ILE A 47 -4.910 -3.106 -7.011 1.00 0.00 C ATOM 0 H ILE A 47 -6.640 -1.260 -3.502 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.878 -1.189 -5.429 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.523 -2.812 -6.785 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.088 -1.551 -5.533 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.714 -3.104 -5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.408 -0.914 -8.004 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.057 -0.488 -7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.654 0.122 -6.578 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.914 -3.396 -6.676 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.460 -3.994 -7.324 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.824 -2.417 -7.851 1.00 0.00 H new ATOM 729 N ASN A 48 -9.618 -2.837 -3.600 1.00 0.00 N ATOM 730 CA ASN A 48 -10.269 -3.900 -2.823 1.00 0.00 C ATOM 731 C ASN A 48 -9.272 -4.634 -1.893 1.00 0.00 C ATOM 732 O ASN A 48 -9.013 -5.830 -2.046 1.00 0.00 O ATOM 733 CB ASN A 48 -11.041 -4.848 -3.771 1.00 0.00 C ATOM 734 CG ASN A 48 -12.068 -4.153 -4.655 1.00 0.00 C ATOM 735 OD1 ASN A 48 -11.749 -3.492 -5.635 1.00 0.00 O ATOM 736 ND2 ASN A 48 -13.341 -4.289 -4.357 1.00 0.00 N ATOM 0 H ASN A 48 -10.109 -1.946 -3.527 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.999 -3.449 -2.151 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.325 -5.369 -4.407 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.547 -5.606 -3.174 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.051 -3.846 -4.940 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.618 -4.837 -3.543 1.00 0.00 H new ATOM 743 N ILE A 49 -8.706 -3.914 -0.914 1.00 0.00 N ATOM 744 CA ILE A 49 -7.665 -4.431 0.002 1.00 0.00 C ATOM 745 C ILE A 49 -8.130 -5.701 0.743 1.00 0.00 C ATOM 746 O ILE A 49 -7.343 -6.628 0.920 1.00 0.00 O ATOM 747 CB ILE A 49 -7.173 -3.319 0.968 1.00 0.00 C ATOM 748 CG1 ILE A 49 -6.503 -2.174 0.164 1.00 0.00 C ATOM 749 CG2 ILE A 49 -6.179 -3.875 2.010 1.00 0.00 C ATOM 750 CD1 ILE A 49 -6.179 -0.917 0.986 1.00 0.00 C ATOM 0 H ILE A 49 -8.958 -2.943 -0.729 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.808 -4.732 -0.600 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.042 -2.932 1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.580 -2.550 -0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.160 -1.894 -0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.855 -3.070 2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.666 -4.653 2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.313 -4.296 1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.713 -0.171 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.099 -0.510 1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.495 -1.177 1.794 1.00 0.00 H new ATOM 762 N VAL A 50 -9.412 -5.793 1.118 1.00 0.00 N ATOM 763 CA VAL A 50 -10.012 -6.994 1.741 1.00 0.00 C ATOM 764 C VAL A 50 -10.037 -8.199 0.785 1.00 0.00 C ATOM 765 O VAL A 50 -9.815 -9.332 1.218 1.00 0.00 O ATOM 766 CB VAL A 50 -11.434 -6.696 2.271 1.00 0.00 C ATOM 767 CG1 VAL A 50 -12.057 -7.900 2.992 1.00 0.00 C ATOM 768 CG2 VAL A 50 -11.419 -5.530 3.271 1.00 0.00 C ATOM 0 H VAL A 50 -10.076 -5.028 0.998 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.373 -7.260 2.583 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.027 -6.449 1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.054 -7.637 3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -12.126 -8.741 2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.434 -8.177 3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.432 -5.343 3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.779 -5.783 4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.036 -4.635 2.781 1.00 0.00 H new ATOM 778 N ALA A 51 -10.269 -7.981 -0.513 1.00 0.00 N ATOM 779 CA ALA A 51 -10.296 -9.043 -1.520 1.00 0.00 C ATOM 780 C ALA A 51 -8.916 -9.699 -1.701 1.00 0.00 C ATOM 781 O ALA A 51 -8.823 -10.927 -1.640 1.00 0.00 O ATOM 782 CB ALA A 51 -10.847 -8.499 -2.845 1.00 0.00 C ATOM 0 H ALA A 51 -10.445 -7.052 -0.897 1.00 0.00 H new ATOM 0 HA ALA A 51 -10.965 -9.829 -1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.863 -9.297 -3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -11.860 -8.125 -2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.210 -7.688 -3.198 1.00 0.00 H new ATOM 788 N VAL A 52 -7.839 -8.913 -1.861 1.00 0.00 N ATOM 789 CA VAL A 52 -6.480 -9.456 -2.089 1.00 0.00 C ATOM 790 C VAL A 52 -5.945 -10.307 -0.927 1.00 0.00 C ATOM 791 O VAL A 52 -5.050 -11.128 -1.137 1.00 0.00 O ATOM 792 CB VAL A 52 -5.442 -8.387 -2.496 1.00 0.00 C ATOM 793 CG1 VAL A 52 -5.886 -7.611 -3.744 1.00 0.00 C ATOM 794 CG2 VAL A 52 -5.112 -7.377 -1.393 1.00 0.00 C ATOM 0 H VAL A 52 -7.879 -7.894 -1.837 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.615 -10.121 -2.942 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.538 -8.960 -2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.130 -6.868 -3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.011 -8.303 -4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.833 -7.110 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.376 -6.663 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.019 -6.846 -1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.706 -7.902 -0.528 1.00 0.00 H new ATOM 804 N LYS A 53 -6.518 -10.192 0.283 1.00 0.00 N ATOM 805 CA LYS A 53 -6.213 -11.078 1.425 1.00 0.00 C ATOM 806 C LYS A 53 -6.543 -12.550 1.143 1.00 0.00 C ATOM 807 O LYS A 53 -5.837 -13.433 1.621 1.00 0.00 O ATOM 808 CB LYS A 53 -6.954 -10.633 2.700 1.00 0.00 C ATOM 809 CG LYS A 53 -6.717 -9.159 3.059 1.00 0.00 C ATOM 810 CD LYS A 53 -7.059 -8.742 4.499 1.00 0.00 C ATOM 811 CE LYS A 53 -8.468 -9.111 4.997 1.00 0.00 C ATOM 812 NZ LYS A 53 -8.533 -10.474 5.596 1.00 0.00 N ATOM 0 H LYS A 53 -7.212 -9.477 0.500 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.137 -10.994 1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.023 -10.800 2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.635 -11.258 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.668 -8.927 2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.303 -8.543 2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.329 -9.195 5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.939 -7.662 4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.790 -8.379 5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.169 -9.052 4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.432 -10.586 6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.472 -11.188 4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.741 -10.600 6.258 1.00 0.00 H new ATOM 826 N ASN A 54 -7.602 -12.813 0.367 1.00 0.00 N ATOM 827 CA ASN A 54 -8.071 -14.163 0.032 1.00 0.00 C ATOM 828 C ASN A 54 -7.140 -14.912 -0.943 1.00 0.00 C ATOM 829 O ASN A 54 -7.213 -16.140 -1.033 1.00 0.00 O ATOM 830 CB ASN A 54 -9.507 -14.088 -0.522 1.00 0.00 C ATOM 831 CG ASN A 54 -10.528 -13.775 0.559 1.00 0.00 C ATOM 832 OD1 ASN A 54 -11.044 -14.659 1.229 1.00 0.00 O ATOM 833 ND2 ASN A 54 -10.854 -12.521 0.780 1.00 0.00 N ATOM 0 H ASN A 54 -8.169 -12.077 -0.054 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.061 -14.745 0.953 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -9.555 -13.323 -1.297 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -9.761 -15.037 -0.995 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -11.533 -12.291 1.506 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -10.428 -11.778 0.226 1.00 0.00 H new ATOM 840 N ASP A 55 -6.241 -14.212 -1.644 1.00 0.00 N ATOM 841 CA ASP A 55 -5.159 -14.811 -2.434 1.00 0.00 C ATOM 842 C ASP A 55 -4.015 -15.292 -1.513 1.00 0.00 C ATOM 843 O ASP A 55 -2.917 -14.728 -1.489 1.00 0.00 O ATOM 844 CB ASP A 55 -4.679 -13.827 -3.516 1.00 0.00 C ATOM 845 CG ASP A 55 -5.771 -13.517 -4.552 1.00 0.00 C ATOM 846 OD1 ASP A 55 -6.211 -14.452 -5.267 1.00 0.00 O ATOM 847 OD2 ASP A 55 -6.176 -12.337 -4.680 1.00 0.00 O ATOM 0 H ASP A 55 -6.245 -13.193 -1.679 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.536 -15.693 -2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.357 -12.899 -3.043 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.809 -14.245 -4.023 1.00 0.00 H new ATOM 852 N HIS A 56 -4.285 -16.339 -0.726 1.00 0.00 N ATOM 853 CA HIS A 56 -3.354 -16.992 0.204 1.00 0.00 C ATOM 854 C HIS A 56 -2.268 -17.805 -0.542 1.00 0.00 C ATOM 855 O HIS A 56 -2.230 -19.038 -0.490 1.00 0.00 O ATOM 856 CB HIS A 56 -4.149 -17.870 1.191 1.00 0.00 C ATOM 857 CG HIS A 56 -5.156 -17.144 2.051 1.00 0.00 C ATOM 858 ND1 HIS A 56 -6.528 -17.250 1.956 1.00 0.00 N ATOM 859 CD2 HIS A 56 -4.877 -16.364 3.143 1.00 0.00 C ATOM 860 CE1 HIS A 56 -7.068 -16.550 2.969 1.00 0.00 C ATOM 861 NE2 HIS A 56 -6.101 -15.998 3.722 1.00 0.00 N ATOM 0 H HIS A 56 -5.206 -16.777 -0.719 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.824 -16.223 0.766 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.672 -18.640 0.623 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -3.442 -18.381 1.845 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -3.895 -16.083 3.493 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -8.127 -16.446 3.152 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -6.232 -15.423 4.554 1.00 0.00 H new ATOM 869 N ASP A 57 -1.385 -17.119 -1.276 1.00 0.00 N ATOM 870 CA ASP A 57 -0.304 -17.725 -2.072 1.00 0.00 C ATOM 871 C ASP A 57 0.810 -18.362 -1.210 1.00 0.00 C ATOM 872 O ASP A 57 1.473 -19.309 -1.643 1.00 0.00 O ATOM 873 CB ASP A 57 0.272 -16.651 -3.007 1.00 0.00 C ATOM 874 CG ASP A 57 1.248 -17.244 -4.039 1.00 0.00 C ATOM 875 OD1 ASP A 57 0.798 -18.008 -4.927 1.00 0.00 O ATOM 876 OD2 ASP A 57 2.460 -16.922 -3.990 1.00 0.00 O ATOM 0 H ASP A 57 -1.400 -16.101 -1.337 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.730 -18.547 -2.648 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.544 -16.149 -3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.787 -15.894 -2.415 1.00 0.00 H new ATOM 881 N PHE A 58 0.983 -17.881 0.026 1.00 0.00 N ATOM 882 CA PHE A 58 1.871 -18.434 1.057 1.00 0.00 C ATOM 883 C PHE A 58 1.078 -19.250 2.096 1.00 0.00 C ATOM 884 O PHE A 58 -0.100 -18.982 2.353 1.00 0.00 O ATOM 885 CB PHE A 58 2.620 -17.285 1.756 1.00 0.00 C ATOM 886 CG PHE A 58 3.764 -16.670 0.963 1.00 0.00 C ATOM 887 CD1 PHE A 58 3.510 -15.853 -0.157 1.00 0.00 C ATOM 888 CD2 PHE A 58 5.096 -16.882 1.376 1.00 0.00 C ATOM 889 CE1 PHE A 58 4.575 -15.262 -0.861 1.00 0.00 C ATOM 890 CE2 PHE A 58 6.160 -16.286 0.676 1.00 0.00 C ATOM 891 CZ PHE A 58 5.900 -15.476 -0.444 1.00 0.00 C ATOM 0 H PHE A 58 0.483 -17.054 0.352 1.00 0.00 H new ATOM 0 HA PHE A 58 2.585 -19.103 0.576 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.903 -16.499 1.995 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.015 -17.655 2.702 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.493 -15.680 -0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.300 -17.505 2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.374 -14.643 -1.723 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.178 -16.450 0.999 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.717 -15.019 -0.983 1.00 0.00 H new ATOM 901 N LEU A 59 1.742 -20.218 2.743 1.00 0.00 N ATOM 902 CA LEU A 59 1.153 -21.063 3.797 1.00 0.00 C ATOM 903 C LEU A 59 0.900 -20.314 5.123 1.00 0.00 C ATOM 904 O LEU A 59 0.027 -20.700 5.900 1.00 0.00 O ATOM 905 CB LEU A 59 2.030 -22.321 3.982 1.00 0.00 C ATOM 906 CG LEU A 59 3.391 -22.100 4.682 1.00 0.00 C ATOM 907 CD1 LEU A 59 3.315 -22.353 6.192 1.00 0.00 C ATOM 908 CD2 LEU A 59 4.454 -23.049 4.123 1.00 0.00 C ATOM 0 H LEU A 59 2.718 -20.441 2.548 1.00 0.00 H new ATOM 0 HA LEU A 59 0.158 -21.365 3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.463 -23.054 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.215 -22.758 3.001 1.00 0.00 H new ATOM 0 HG LEU A 59 3.655 -21.059 4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.295 -22.185 6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.591 -21.672 6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.005 -23.382 6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.402 -22.874 4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.141 -24.081 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.577 -22.869 3.055 1.00 0.00 H new ATOM 920 N GLU A 60 1.663 -19.252 5.394 1.00 0.00 N ATOM 921 CA GLU A 60 1.603 -18.460 6.629 1.00 0.00 C ATOM 922 C GLU A 60 0.520 -17.371 6.550 1.00 0.00 C ATOM 923 O GLU A 60 0.739 -16.310 5.959 1.00 0.00 O ATOM 924 CB GLU A 60 2.976 -17.827 6.929 1.00 0.00 C ATOM 925 CG GLU A 60 4.059 -18.872 7.231 1.00 0.00 C ATOM 926 CD GLU A 60 5.369 -18.196 7.678 1.00 0.00 C ATOM 927 OE1 GLU A 60 6.191 -17.816 6.809 1.00 0.00 O ATOM 928 OE2 GLU A 60 5.591 -18.045 8.905 1.00 0.00 O ATOM 0 H GLU A 60 2.364 -18.907 4.738 1.00 0.00 H new ATOM 0 HA GLU A 60 1.338 -19.135 7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.287 -17.224 6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.882 -17.152 7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.710 -19.548 8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.243 -19.478 6.344 1.00 0.00 H new ATOM 935 N LYS A 61 -0.644 -17.592 7.181 1.00 0.00 N ATOM 936 CA LYS A 61 -1.706 -16.569 7.295 1.00 0.00 C ATOM 937 C LYS A 61 -1.239 -15.296 8.020 1.00 0.00 C ATOM 938 O LYS A 61 -1.780 -14.218 7.791 1.00 0.00 O ATOM 939 CB LYS A 61 -2.952 -17.163 7.979 1.00 0.00 C ATOM 940 CG LYS A 61 -4.238 -16.443 7.527 1.00 0.00 C ATOM 941 CD LYS A 61 -5.430 -16.712 8.455 1.00 0.00 C ATOM 942 CE LYS A 61 -5.319 -15.880 9.741 1.00 0.00 C ATOM 943 NZ LYS A 61 -6.457 -16.135 10.663 1.00 0.00 N ATOM 0 H LYS A 61 -0.879 -18.479 7.626 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.964 -16.267 6.280 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.026 -18.225 7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.849 -17.082 9.061 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.052 -15.370 7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.491 -16.763 6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.360 -16.471 7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.470 -17.772 8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.382 -16.115 10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.287 -14.820 9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.347 -15.555 11.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.349 -15.887 10.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.472 -17.141 10.926 1.00 0.00 H new ATOM 957 N ASP A 62 -0.188 -15.382 8.836 1.00 0.00 N ATOM 958 CA ASP A 62 0.483 -14.238 9.467 1.00 0.00 C ATOM 959 C ASP A 62 1.072 -13.221 8.464 1.00 0.00 C ATOM 960 O ASP A 62 1.357 -12.089 8.853 1.00 0.00 O ATOM 961 CB ASP A 62 1.578 -14.746 10.417 1.00 0.00 C ATOM 962 CG ASP A 62 0.984 -15.444 11.649 1.00 0.00 C ATOM 963 OD1 ASP A 62 0.624 -14.744 12.628 1.00 0.00 O ATOM 964 OD2 ASP A 62 0.874 -16.693 11.646 1.00 0.00 O ATOM 0 H ASP A 62 0.235 -16.276 9.086 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.283 -13.695 10.021 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.228 -15.440 9.884 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.199 -13.909 10.737 1.00 0.00 H new ATOM 969 N LEU A 63 1.212 -13.576 7.179 1.00 0.00 N ATOM 970 CA LEU A 63 1.564 -12.650 6.091 1.00 0.00 C ATOM 971 C LEU A 63 0.423 -11.667 5.742 1.00 0.00 C ATOM 972 O LEU A 63 0.674 -10.575 5.230 1.00 0.00 O ATOM 973 CB LEU A 63 1.969 -13.496 4.864 1.00 0.00 C ATOM 974 CG LEU A 63 2.593 -12.718 3.690 1.00 0.00 C ATOM 975 CD1 LEU A 63 3.897 -12.036 4.090 1.00 0.00 C ATOM 976 CD2 LEU A 63 2.907 -13.673 2.539 1.00 0.00 C ATOM 0 H LEU A 63 1.081 -14.536 6.859 1.00 0.00 H new ATOM 0 HA LEU A 63 2.393 -12.022 6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.679 -14.257 5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.085 -14.019 4.499 1.00 0.00 H new ATOM 0 HG LEU A 63 1.867 -11.962 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.304 -11.499 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.706 -11.334 4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.614 -12.787 4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.348 -13.115 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.610 -14.434 2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.988 -14.153 2.203 1.00 0.00 H new ATOM 988 N VAL A 64 -0.832 -12.034 6.029 1.00 0.00 N ATOM 989 CA VAL A 64 -2.038 -11.258 5.690 1.00 0.00 C ATOM 990 C VAL A 64 -2.182 -9.994 6.550 1.00 0.00 C ATOM 991 O VAL A 64 -2.620 -8.960 6.046 1.00 0.00 O ATOM 992 CB VAL A 64 -3.296 -12.148 5.795 1.00 0.00 C ATOM 993 CG1 VAL A 64 -4.574 -11.382 5.449 1.00 0.00 C ATOM 994 CG2 VAL A 64 -3.213 -13.347 4.838 1.00 0.00 C ATOM 0 H VAL A 64 -1.046 -12.904 6.517 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.930 -10.922 4.659 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.333 -12.483 6.832 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.432 -12.048 5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.693 -10.544 6.136 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.508 -11.007 4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.113 -13.954 4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.127 -12.989 3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.340 -13.951 5.086 1.00 0.00 H new ATOM 1004 N GLU A 65 -1.776 -10.043 7.824 1.00 0.00 N ATOM 1005 CA GLU A 65 -1.720 -8.884 8.732 1.00 0.00 C ATOM 1006 C GLU A 65 -0.905 -7.712 8.140 1.00 0.00 C ATOM 1007 O GLU A 65 -1.501 -6.666 7.866 1.00 0.00 O ATOM 1008 CB GLU A 65 -1.217 -9.312 10.128 1.00 0.00 C ATOM 1009 CG GLU A 65 -2.352 -9.679 11.099 1.00 0.00 C ATOM 1010 CD GLU A 65 -2.774 -8.491 11.994 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -3.020 -7.376 11.471 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -2.850 -8.669 13.235 1.00 0.00 O ATOM 0 H GLU A 65 -1.469 -10.909 8.266 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.735 -8.504 8.851 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.551 -10.168 10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.628 -8.502 10.558 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.215 -10.025 10.530 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.032 -10.509 11.729 1.00 0.00 H new ATOM 1019 N PRO A 66 0.415 -7.842 7.880 1.00 0.00 N ATOM 1020 CA PRO A 66 1.205 -6.773 7.274 1.00 0.00 C ATOM 1021 C PRO A 66 0.786 -6.447 5.831 1.00 0.00 C ATOM 1022 O PRO A 66 0.823 -5.274 5.464 1.00 0.00 O ATOM 1023 CB PRO A 66 2.667 -7.208 7.384 1.00 0.00 C ATOM 1024 CG PRO A 66 2.584 -8.732 7.454 1.00 0.00 C ATOM 1025 CD PRO A 66 1.270 -8.977 8.186 1.00 0.00 C ATOM 0 HA PRO A 66 1.038 -5.834 7.802 1.00 0.00 H new ATOM 0 HB2 PRO A 66 3.249 -6.877 6.524 1.00 0.00 H new ATOM 0 HB3 PRO A 66 3.144 -6.791 8.271 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.581 -9.181 6.461 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.431 -9.157 7.993 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.810 -9.910 7.858 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.433 -9.062 9.260 1.00 0.00 H new ATOM 1033 N LEU A 67 0.315 -7.416 5.030 1.00 0.00 N ATOM 1034 CA LEU A 67 -0.260 -7.149 3.700 1.00 0.00 C ATOM 1035 C LEU A 67 -1.413 -6.131 3.780 1.00 0.00 C ATOM 1036 O LEU A 67 -1.388 -5.115 3.088 1.00 0.00 O ATOM 1037 CB LEU A 67 -0.692 -8.474 3.041 1.00 0.00 C ATOM 1038 CG LEU A 67 -1.379 -8.331 1.667 1.00 0.00 C ATOM 1039 CD1 LEU A 67 -0.466 -7.704 0.611 1.00 0.00 C ATOM 1040 CD2 LEU A 67 -1.822 -9.708 1.168 1.00 0.00 C ATOM 0 H LEU A 67 0.321 -8.404 5.284 1.00 0.00 H new ATOM 0 HA LEU A 67 0.504 -6.695 3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.188 -9.107 2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.372 -8.993 3.717 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.233 -7.669 1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.002 -7.628 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.163 -6.709 0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.418 -8.327 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.307 -9.605 0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.952 -10.357 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.523 -10.144 1.879 1.00 0.00 H new ATOM 1052 N CYS A 68 -2.400 -6.372 4.647 1.00 0.00 N ATOM 1053 CA CYS A 68 -3.488 -5.432 4.917 1.00 0.00 C ATOM 1054 C CYS A 68 -2.966 -4.101 5.496 1.00 0.00 C ATOM 1055 O CYS A 68 -3.258 -3.026 4.966 1.00 0.00 O ATOM 1056 CB CYS A 68 -4.488 -6.114 5.862 1.00 0.00 C ATOM 1057 SG CYS A 68 -5.970 -5.079 6.030 1.00 0.00 S ATOM 0 H CYS A 68 -2.466 -7.235 5.186 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.987 -5.173 3.983 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.760 -7.095 5.473 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.031 -6.273 6.839 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.816 -5.659 6.829 1.00 0.00 H new ATOM 1063 N ARG A 69 -2.171 -4.171 6.575 1.00 0.00 N ATOM 1064 CA ARG A 69 -1.665 -3.022 7.342 1.00 0.00 C ATOM 1065 C ARG A 69 -0.852 -2.042 6.492 1.00 0.00 C ATOM 1066 O ARG A 69 -1.187 -0.862 6.460 1.00 0.00 O ATOM 1067 CB ARG A 69 -0.874 -3.533 8.557 1.00 0.00 C ATOM 1068 CG ARG A 69 -0.554 -2.427 9.571 1.00 0.00 C ATOM 1069 CD ARG A 69 0.339 -2.987 10.689 1.00 0.00 C ATOM 1070 NE ARG A 69 0.725 -1.952 11.668 1.00 0.00 N ATOM 1071 CZ ARG A 69 1.586 -0.964 11.493 1.00 0.00 C ATOM 1072 NH1 ARG A 69 2.227 -0.778 10.375 1.00 0.00 N ATOM 1073 NH2 ARG A 69 1.844 -0.116 12.441 1.00 0.00 N ATOM 0 H ARG A 69 -1.851 -5.063 6.951 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.521 -2.445 7.691 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.446 -4.318 9.052 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.057 -3.985 8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.051 -1.598 9.072 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.477 -2.031 9.994 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.187 -3.792 11.203 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.237 -3.422 10.250 1.00 0.00 H new ATOM 0 HE ARG A 69 0.277 -2.005 12.583 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.074 -1.409 9.588 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.882 -0.001 10.286 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.379 -0.204 13.344 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.512 0.638 12.283 1.00 0.00 H new ATOM 1087 N ARG A 70 0.197 -2.496 5.793 1.00 0.00 N ATOM 1088 CA ARG A 70 1.073 -1.629 4.976 1.00 0.00 C ATOM 1089 C ARG A 70 0.311 -0.911 3.854 1.00 0.00 C ATOM 1090 O ARG A 70 0.556 0.274 3.620 1.00 0.00 O ATOM 1091 CB ARG A 70 2.259 -2.429 4.404 1.00 0.00 C ATOM 1092 CG ARG A 70 3.250 -2.995 5.441 1.00 0.00 C ATOM 1093 CD ARG A 70 3.747 -2.004 6.507 1.00 0.00 C ATOM 1094 NE ARG A 70 4.894 -2.578 7.233 1.00 0.00 N ATOM 1095 CZ ARG A 70 5.690 -1.998 8.113 1.00 0.00 C ATOM 1096 NH1 ARG A 70 5.529 -0.780 8.543 1.00 0.00 N ATOM 1097 NH2 ARG A 70 6.700 -2.663 8.597 1.00 0.00 N ATOM 0 H ARG A 70 0.468 -3.479 5.775 1.00 0.00 H new ATOM 0 HA ARG A 70 1.459 -0.857 5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.864 -3.258 3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.809 -1.786 3.717 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.775 -3.835 5.947 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.115 -3.391 4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.037 -1.065 6.035 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.942 -1.774 7.205 1.00 0.00 H new ATOM 0 HE ARG A 70 5.101 -3.556 7.028 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.752 -0.216 8.199 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.180 -0.390 9.224 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.870 -3.623 8.296 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.321 -2.224 9.277 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.641 -1.592 3.206 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.571 -0.977 2.250 1.00 0.00 C ATOM 1113 C LEU A 71 -2.434 0.105 2.927 1.00 0.00 C ATOM 1114 O LEU A 71 -2.458 1.248 2.467 1.00 0.00 O ATOM 1115 CB LEU A 71 -2.420 -2.056 1.546 1.00 0.00 C ATOM 1116 CG LEU A 71 -1.631 -3.003 0.617 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -2.559 -4.085 0.057 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -0.998 -2.284 -0.574 1.00 0.00 C ATOM 0 H LEU A 71 -0.789 -2.593 3.331 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.990 -0.471 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.924 -2.653 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.197 -1.562 0.962 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.837 -3.429 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.992 -4.748 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.983 -4.662 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.363 -3.617 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.458 -3.004 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.778 -1.811 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.306 -1.523 -0.214 1.00 0.00 H new ATOM 1130 N ASN A 72 -3.096 -0.217 4.043 1.00 0.00 N ATOM 1131 CA ASN A 72 -3.910 0.720 4.829 1.00 0.00 C ATOM 1132 C ASN A 72 -3.137 1.974 5.298 1.00 0.00 C ATOM 1133 O ASN A 72 -3.664 3.084 5.205 1.00 0.00 O ATOM 1134 CB ASN A 72 -4.538 -0.042 6.011 1.00 0.00 C ATOM 1135 CG ASN A 72 -5.289 0.876 6.962 1.00 0.00 C ATOM 1136 OD1 ASN A 72 -4.815 1.225 8.032 1.00 0.00 O ATOM 1137 ND2 ASN A 72 -6.473 1.320 6.598 1.00 0.00 N ATOM 0 H ASN A 72 -3.081 -1.158 4.435 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.694 1.110 4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.221 -0.801 5.628 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.755 -0.565 6.559 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -6.990 1.953 7.208 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.873 1.032 5.705 1.00 0.00 H new ATOM 1144 N THR A 73 -1.897 1.830 5.774 1.00 0.00 N ATOM 1145 CA THR A 73 -1.090 2.955 6.278 1.00 0.00 C ATOM 1146 C THR A 73 -0.814 4.007 5.199 1.00 0.00 C ATOM 1147 O THR A 73 -1.007 5.198 5.447 1.00 0.00 O ATOM 1148 CB THR A 73 0.227 2.477 6.907 1.00 0.00 C ATOM 1149 OG1 THR A 73 -0.032 1.552 7.943 1.00 0.00 O ATOM 1150 CG2 THR A 73 0.993 3.634 7.545 1.00 0.00 C ATOM 0 H THR A 73 -1.420 0.930 5.823 1.00 0.00 H new ATOM 0 HA THR A 73 -1.689 3.429 7.056 1.00 0.00 H new ATOM 0 HB THR A 73 0.811 2.028 6.104 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.397 0.727 7.561 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.920 3.261 7.981 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.224 4.380 6.785 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.382 4.088 8.325 1.00 0.00 H new ATOM 1158 N LEU A 74 -0.410 3.600 3.989 1.00 0.00 N ATOM 1159 CA LEU A 74 -0.248 4.529 2.860 1.00 0.00 C ATOM 1160 C LEU A 74 -1.590 5.029 2.288 1.00 0.00 C ATOM 1161 O LEU A 74 -1.649 6.153 1.791 1.00 0.00 O ATOM 1162 CB LEU A 74 0.627 3.882 1.773 1.00 0.00 C ATOM 1163 CG LEU A 74 2.137 3.879 2.094 1.00 0.00 C ATOM 1164 CD1 LEU A 74 2.913 3.119 1.017 1.00 0.00 C ATOM 1165 CD2 LEU A 74 2.707 5.299 2.157 1.00 0.00 C ATOM 0 H LEU A 74 -0.188 2.630 3.765 1.00 0.00 H new ATOM 0 HA LEU A 74 0.255 5.419 3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.297 2.854 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.468 4.410 0.833 1.00 0.00 H new ATOM 0 HG LEU A 74 2.247 3.397 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.976 3.127 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.559 2.089 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.758 3.598 0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.772 5.254 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.562 5.792 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.193 5.863 2.935 1.00 0.00 H new ATOM 1177 N ASN A 75 -2.682 4.264 2.407 1.00 0.00 N ATOM 1178 CA ASN A 75 -4.026 4.680 1.978 1.00 0.00 C ATOM 1179 C ASN A 75 -4.515 5.962 2.699 1.00 0.00 C ATOM 1180 O ASN A 75 -5.147 6.820 2.078 1.00 0.00 O ATOM 1181 CB ASN A 75 -4.994 3.494 2.162 1.00 0.00 C ATOM 1182 CG ASN A 75 -6.317 3.630 1.427 1.00 0.00 C ATOM 1183 OD1 ASN A 75 -6.562 4.533 0.642 1.00 0.00 O ATOM 1184 ND2 ASN A 75 -7.217 2.697 1.641 1.00 0.00 N ATOM 0 H ASN A 75 -2.658 3.327 2.809 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.990 4.951 0.923 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.499 2.584 1.824 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -5.197 3.371 3.226 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.112 2.730 1.153 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.021 1.939 2.295 1.00 0.00 H new ATOM 1191 N LYS A 76 -4.145 6.151 3.978 1.00 0.00 N ATOM 1192 CA LYS A 76 -4.369 7.394 4.750 1.00 0.00 C ATOM 1193 C LYS A 76 -3.819 8.639 4.033 1.00 0.00 C ATOM 1194 O LYS A 76 -4.489 9.671 3.999 1.00 0.00 O ATOM 1195 CB LYS A 76 -3.759 7.223 6.157 1.00 0.00 C ATOM 1196 CG LYS A 76 -3.942 8.427 7.109 1.00 0.00 C ATOM 1197 CD LYS A 76 -4.720 8.096 8.396 1.00 0.00 C ATOM 1198 CE LYS A 76 -6.214 7.817 8.161 1.00 0.00 C ATOM 1199 NZ LYS A 76 -6.966 9.048 7.789 1.00 0.00 N ATOM 0 H LYS A 76 -3.670 5.429 4.520 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.442 7.562 4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.202 6.343 6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.693 7.024 6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.960 8.815 7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.463 9.222 6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.267 7.225 8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.620 8.927 9.094 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.323 7.074 7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.648 7.388 9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.971 8.814 7.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.871 9.755 8.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.582 9.435 6.904 1.00 0.00 H new ATOM 1213 N CYS A 77 -2.629 8.537 3.435 1.00 0.00 N ATOM 1214 CA CYS A 77 -1.978 9.617 2.681 1.00 0.00 C ATOM 1215 C CYS A 77 -2.372 9.662 1.186 1.00 0.00 C ATOM 1216 O CYS A 77 -2.225 10.709 0.549 1.00 0.00 O ATOM 1217 CB CYS A 77 -0.457 9.473 2.834 1.00 0.00 C ATOM 1218 SG CYS A 77 0.011 9.647 4.582 1.00 0.00 S ATOM 0 H CYS A 77 -2.076 7.680 3.461 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.324 10.562 3.099 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.136 8.502 2.458 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.050 10.230 2.236 1.00 0.00 H new ATOM 0 HG CYS A 77 1.299 9.521 4.701 1.00 0.00 H new ATOM 1224 N ALA A 78 -2.879 8.561 0.619 1.00 0.00 N ATOM 1225 CA ALA A 78 -3.345 8.481 -0.771 1.00 0.00 C ATOM 1226 C ALA A 78 -4.624 9.305 -1.042 1.00 0.00 C ATOM 1227 O ALA A 78 -4.829 9.768 -2.165 1.00 0.00 O ATOM 1228 CB ALA A 78 -3.569 7.006 -1.130 1.00 0.00 C ATOM 0 H ALA A 78 -2.979 7.681 1.125 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.573 8.920 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.916 6.931 -2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.633 6.459 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.318 6.579 -0.463 1.00 0.00 H new ATOM 1234 N SER A 79 -5.474 9.501 -0.023 1.00 0.00 N ATOM 1235 CA SER A 79 -6.707 10.317 -0.051 1.00 0.00 C ATOM 1236 C SER A 79 -7.717 9.945 -1.160 1.00 0.00 C ATOM 1237 O SER A 79 -8.508 10.785 -1.599 1.00 0.00 O ATOM 1238 CB SER A 79 -6.352 11.815 -0.068 1.00 0.00 C ATOM 1239 OG SER A 79 -5.554 12.158 1.059 1.00 0.00 O ATOM 0 H SER A 79 -5.316 9.075 0.890 1.00 0.00 H new ATOM 0 HA SER A 79 -7.240 10.083 0.870 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.816 12.056 -0.986 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.265 12.410 -0.067 1.00 0.00 H new ATOM 0 HG SER A 79 -5.338 13.113 1.028 1.00 0.00 H new ATOM 1245 N MET A 80 -7.691 8.693 -1.635 1.00 0.00 N ATOM 1246 CA MET A 80 -8.503 8.195 -2.761 1.00 0.00 C ATOM 1247 C MET A 80 -9.842 7.547 -2.355 1.00 0.00 C ATOM 1248 O MET A 80 -10.749 7.462 -3.190 1.00 0.00 O ATOM 1249 CB MET A 80 -7.654 7.217 -3.594 1.00 0.00 C ATOM 1250 CG MET A 80 -6.881 7.954 -4.690 1.00 0.00 C ATOM 1251 SD MET A 80 -7.933 8.566 -6.040 1.00 0.00 S ATOM 1252 CE MET A 80 -6.975 10.019 -6.544 1.00 0.00 C ATOM 0 H MET A 80 -7.087 7.974 -1.236 1.00 0.00 H new ATOM 0 HA MET A 80 -8.787 9.067 -3.351 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.956 6.691 -2.943 1.00 0.00 H new ATOM 0 HB3 MET A 80 -8.299 6.463 -4.044 1.00 0.00 H new ATOM 0 HG2 MET A 80 -6.350 8.795 -4.245 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.127 7.284 -5.104 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.480 10.519 -7.370 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.887 10.707 -5.703 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.981 9.707 -6.863 1.00 0.00 H new ATOM 1262 N LYS A 81 -9.994 7.108 -1.097 1.00 0.00 N ATOM 1263 CA LYS A 81 -11.262 6.615 -0.527 1.00 0.00 C ATOM 1264 C LYS A 81 -12.243 7.767 -0.245 1.00 0.00 C ATOM 1265 O LYS A 81 -11.853 8.742 0.441 1.00 0.00 O ATOM 1266 CB LYS A 81 -10.973 5.759 0.721 1.00 0.00 C ATOM 1267 CG LYS A 81 -12.265 5.148 1.299 1.00 0.00 C ATOM 1268 CD LYS A 81 -12.014 4.155 2.444 1.00 0.00 C ATOM 1269 CE LYS A 81 -11.404 2.841 1.938 1.00 0.00 C ATOM 1270 NZ LYS A 81 -11.266 1.846 3.035 1.00 0.00 N ATOM 1271 OXT LYS A 81 -13.402 7.692 -0.714 1.00 0.00 O ATOM 0 H LYS A 81 -9.223 7.084 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.757 5.978 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.276 4.962 0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.488 6.373 1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.908 5.951 1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.806 4.641 0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.346 4.607 3.177 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.953 3.946 2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.031 2.428 1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.426 3.038 1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.851 0.970 2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.648 2.231 3.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.203 1.640 3.437 1.00 0.00 H new TER 1285 LYS A 81