USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 863 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 45 MET CE :methyl 170:sc= -0.239 (180deg=-0.413) USER MOD Set 1.2: A 90 TYR OH : rot -165:sc= 0.317 USER MOD Set 2.1: A 59 SER OG : rot 180:sc= 0.514 USER MOD Set 2.2: A 103 THR OG1 : rot -65:sc= 0.567 USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0.569 USER MOD Set 3.2: A 18 THR OG1 : rot -67:sc= 0.62 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0.64 X(o=0.64,f=0.86) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.16 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 165:sc= 0.697 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.371) USER MOD Single : A 36 LYS NZ :NH3+ -130:sc= 0.0325 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 1.05 (180deg=1.03) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0553 K(o=-0.055,f=-1.5!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.35) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 169:sc= 1.15 (180deg=1.05) USER MOD Single : A 82 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.5!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.0261 K(o=-0.026,f=-1.1) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0.793 K(o=0.79,f=-1.1) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 58:sc= 0.56 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 13.484 9.034 1.219 1.00 0.00 N ATOM 61 CA LYS A 5 12.372 8.825 2.143 1.00 0.00 C ATOM 62 C LYS A 5 11.052 9.030 1.390 1.00 0.00 C ATOM 63 O LYS A 5 10.879 10.036 0.682 1.00 0.00 O ATOM 64 CB LYS A 5 12.465 9.773 3.340 1.00 0.00 C ATOM 65 CG LYS A 5 11.420 9.528 4.420 1.00 0.00 C ATOM 66 CD LYS A 5 11.677 10.394 5.645 1.00 0.00 C ATOM 67 CE LYS A 5 11.099 11.791 5.469 1.00 0.00 C ATOM 68 NZ LYS A 5 11.410 12.672 6.627 1.00 0.00 N ATOM 0 HA LYS A 5 12.416 7.807 2.530 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.456 9.682 3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.368 10.799 2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.427 9.741 4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.430 8.476 4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.235 9.924 6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.750 10.463 5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.497 12.236 4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.018 11.723 5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.998 13.614 6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.008 12.261 7.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.441 12.758 6.731 1.00 0.00 H new ATOM 82 N VAL A 6 10.147 8.073 1.526 1.00 0.00 N ATOM 83 CA VAL A 6 8.816 8.131 0.913 1.00 0.00 C ATOM 84 C VAL A 6 7.784 7.966 2.032 1.00 0.00 C ATOM 85 O VAL A 6 7.987 7.174 2.966 1.00 0.00 O ATOM 86 CB VAL A 6 8.600 7.038 -0.212 1.00 0.00 C ATOM 87 CG1 VAL A 6 9.045 5.638 0.252 1.00 0.00 C ATOM 88 CG2 VAL A 6 7.125 7.000 -0.688 1.00 0.00 C ATOM 0 H VAL A 6 10.311 7.225 2.068 1.00 0.00 H new ATOM 0 HA VAL A 6 8.705 9.092 0.410 1.00 0.00 H new ATOM 0 HB VAL A 6 9.229 7.328 -1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.879 4.919 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.104 5.659 0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.467 5.344 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.011 6.239 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.477 6.761 0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.848 7.973 -1.094 1.00 0.00 H new ATOM 98 N GLU A 7 6.695 8.728 1.947 1.00 0.00 N ATOM 99 CA GLU A 7 5.577 8.624 2.887 1.00 0.00 C ATOM 100 C GLU A 7 4.454 7.860 2.181 1.00 0.00 C ATOM 101 O GLU A 7 4.129 8.137 1.020 1.00 0.00 O ATOM 102 CB GLU A 7 5.099 10.004 3.345 1.00 0.00 C ATOM 103 CG GLU A 7 6.076 10.739 4.251 1.00 0.00 C ATOM 104 CD GLU A 7 5.489 12.027 4.756 1.00 0.00 C ATOM 105 OE1 GLU A 7 4.385 12.343 4.382 1.00 0.00 O ATOM 106 OE2 GLU A 7 6.096 12.642 5.602 1.00 0.00 O ATOM 0 H GLU A 7 6.561 9.436 1.225 1.00 0.00 H new ATOM 0 HA GLU A 7 5.893 8.094 3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.905 10.618 2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.150 9.891 3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.342 10.103 5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.997 10.946 3.705 1.00 0.00 H new ATOM 113 N VAL A 8 3.897 6.878 2.889 1.00 0.00 N ATOM 114 CA VAL A 8 2.842 6.003 2.384 1.00 0.00 C ATOM 115 C VAL A 8 1.618 6.165 3.289 1.00 0.00 C ATOM 116 O VAL A 8 1.699 5.929 4.500 1.00 0.00 O ATOM 117 CB VAL A 8 3.275 4.526 2.345 1.00 0.00 C ATOM 118 CG1 VAL A 8 2.120 3.643 1.895 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.472 4.344 1.424 1.00 0.00 C ATOM 0 H VAL A 8 4.172 6.665 3.848 1.00 0.00 H new ATOM 0 HA VAL A 8 2.612 6.289 1.358 1.00 0.00 H new ATOM 0 HB VAL A 8 3.566 4.228 3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.444 2.603 1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.288 3.749 2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.799 3.944 0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.764 3.294 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.207 4.661 0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.305 4.947 1.786 1.00 0.00 H new ATOM 129 N GLN A 9 0.500 6.612 2.700 1.00 0.00 N ATOM 130 CA GLN A 9 -0.764 6.779 3.423 1.00 0.00 C ATOM 131 C GLN A 9 -1.661 5.580 3.103 1.00 0.00 C ATOM 132 O GLN A 9 -1.968 5.339 1.938 1.00 0.00 O ATOM 133 CB GLN A 9 -1.459 8.086 3.032 1.00 0.00 C ATOM 134 CG GLN A 9 -2.753 8.351 3.783 1.00 0.00 C ATOM 135 CD GLN A 9 -3.369 9.688 3.419 1.00 0.00 C ATOM 136 OE1 GLN A 9 -2.774 10.484 2.688 1.00 0.00 O ATOM 137 NE2 GLN A 9 -4.567 9.945 3.933 1.00 0.00 N ATOM 0 H GLN A 9 0.448 6.866 1.714 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.566 6.827 4.494 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.774 8.915 3.207 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.670 8.067 1.963 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.465 7.555 3.566 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.560 8.323 4.855 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.023 9.257 4.533 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.031 10.830 3.728 1.00 0.00 H new ATOM 146 N VAL A 10 -2.045 4.815 4.138 1.00 0.00 N ATOM 147 CA VAL A 10 -2.860 3.598 3.981 1.00 0.00 C ATOM 148 C VAL A 10 -4.257 3.853 4.565 1.00 0.00 C ATOM 149 O VAL A 10 -4.387 4.193 5.743 1.00 0.00 O ATOM 150 CB VAL A 10 -2.226 2.377 4.674 1.00 0.00 C ATOM 151 CG1 VAL A 10 -3.119 1.154 4.521 1.00 0.00 C ATOM 152 CG2 VAL A 10 -0.843 2.100 4.104 1.00 0.00 C ATOM 0 H VAL A 10 -1.800 5.022 5.106 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.922 3.371 2.917 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.124 2.599 5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.656 0.301 5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.090 1.353 4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.252 0.931 3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.410 1.234 4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.923 1.899 3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.204 2.968 4.262 1.00 0.00 H new ATOM 162 N LYS A 11 -5.288 3.728 3.714 1.00 0.00 N ATOM 163 CA LYS A 11 -6.687 3.943 4.094 1.00 0.00 C ATOM 164 C LYS A 11 -7.457 2.645 3.849 1.00 0.00 C ATOM 165 O LYS A 11 -7.567 2.206 2.707 1.00 0.00 O ATOM 166 CB LYS A 11 -7.307 5.098 3.306 1.00 0.00 C ATOM 167 CG LYS A 11 -8.735 5.441 3.710 1.00 0.00 C ATOM 168 CD LYS A 11 -9.289 6.580 2.869 1.00 0.00 C ATOM 169 CE LYS A 11 -10.699 6.955 3.304 1.00 0.00 C ATOM 170 NZ LYS A 11 -11.259 8.062 2.483 1.00 0.00 N ATOM 0 H LYS A 11 -5.169 3.472 2.734 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.738 4.214 5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.684 5.983 3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.293 4.847 2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.368 4.561 3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.760 5.719 4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.637 7.449 2.955 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.296 6.289 1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.347 6.082 3.226 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.688 7.251 4.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.220 8.286 2.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.655 8.904 2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.294 7.771 1.485 1.00 0.00 H new ATOM 184 N ILE A 12 -7.988 2.018 4.907 1.00 0.00 N ATOM 185 CA ILE A 12 -8.660 0.709 4.783 1.00 0.00 C ATOM 186 C ILE A 12 -10.062 0.755 5.422 1.00 0.00 C ATOM 187 O ILE A 12 -10.245 1.283 6.520 1.00 0.00 O ATOM 188 CB ILE A 12 -7.840 -0.416 5.439 1.00 0.00 C ATOM 189 CG1 ILE A 12 -8.506 -1.773 5.198 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.676 -0.156 6.929 1.00 0.00 C ATOM 191 CD1 ILE A 12 -7.617 -2.955 5.513 1.00 0.00 C ATOM 0 H ILE A 12 -7.968 2.391 5.856 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.750 0.496 3.718 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.850 -0.434 4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.408 -1.837 5.806 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.819 -1.833 4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.094 -0.961 7.377 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.159 0.792 7.078 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.658 -0.112 7.401 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.159 -3.880 5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.726 -2.917 4.887 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.325 -2.921 6.562 1.00 0.00 H new ATOM 203 N THR A 13 -11.056 0.223 4.699 1.00 0.00 N ATOM 204 CA THR A 13 -12.436 0.126 5.171 1.00 0.00 C ATOM 205 C THR A 13 -12.752 -1.355 5.479 1.00 0.00 C ATOM 206 O THR A 13 -12.423 -2.233 4.682 1.00 0.00 O ATOM 207 CB THR A 13 -13.440 0.673 4.139 1.00 0.00 C ATOM 208 OG1 THR A 13 -13.168 2.059 3.894 1.00 0.00 O ATOM 209 CG2 THR A 13 -14.865 0.521 4.648 1.00 0.00 C ATOM 0 H THR A 13 -10.919 -0.155 3.761 1.00 0.00 H new ATOM 0 HA THR A 13 -12.535 0.734 6.070 1.00 0.00 H new ATOM 0 HB THR A 13 -13.334 0.106 3.214 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.806 2.406 3.236 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.560 0.913 3.906 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.078 -0.533 4.824 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.979 1.075 5.580 1.00 0.00 H new ATOM 217 N CYS A 14 -13.356 -1.615 6.652 1.00 0.00 N ATOM 218 CA CYS A 14 -13.655 -2.981 7.139 1.00 0.00 C ATOM 219 C CYS A 14 -15.054 -3.023 7.761 1.00 0.00 C ATOM 220 O CYS A 14 -15.293 -2.368 8.792 1.00 0.00 O ATOM 221 CB CYS A 14 -12.597 -3.419 8.179 1.00 0.00 C ATOM 222 SG CYS A 14 -12.863 -5.070 8.930 1.00 0.00 S ATOM 0 H CYS A 14 -13.654 -0.882 7.295 1.00 0.00 H new ATOM 0 HA CYS A 14 -13.624 -3.670 6.295 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.618 -3.411 7.701 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.568 -2.677 8.977 1.00 0.00 H new ATOM 227 N ASN A 15 -15.967 -3.766 7.086 1.00 0.00 N ATOM 228 CA ASN A 15 -17.416 -3.835 7.389 1.00 0.00 C ATOM 229 C ASN A 15 -18.127 -2.517 6.993 1.00 0.00 C ATOM 230 O ASN A 15 -18.975 -2.512 6.090 1.00 0.00 O ATOM 231 CB ASN A 15 -17.665 -4.148 8.853 1.00 0.00 C ATOM 232 CG ASN A 15 -17.205 -5.518 9.265 1.00 0.00 C ATOM 233 OD1 ASN A 15 -17.612 -6.532 8.685 1.00 0.00 O ATOM 234 ND2 ASN A 15 -16.423 -5.560 10.314 1.00 0.00 N ATOM 0 H ASN A 15 -15.706 -4.351 6.292 1.00 0.00 H new ATOM 0 HA ASN A 15 -17.833 -4.648 6.795 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.156 -3.404 9.466 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -18.731 -4.055 9.059 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.121 -6.459 10.690 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.115 -4.694 10.756 1.00 0.00 H new ATOM 241 N GLY A 16 -17.767 -1.419 7.670 1.00 0.00 N ATOM 242 CA GLY A 16 -18.296 -0.089 7.355 1.00 0.00 C ATOM 243 C GLY A 16 -17.478 1.024 8.002 1.00 0.00 C ATOM 244 O GLY A 16 -17.855 2.196 7.914 1.00 0.00 O ATOM 0 H GLY A 16 -17.105 -1.428 8.446 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.305 0.050 6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.330 -0.022 7.693 1.00 0.00 H new ATOM 248 N LYS A 17 -16.354 0.651 8.665 1.00 0.00 N ATOM 249 CA LYS A 17 -15.486 1.595 9.412 1.00 0.00 C ATOM 250 C LYS A 17 -14.123 1.751 8.710 1.00 0.00 C ATOM 251 O LYS A 17 -13.468 0.755 8.380 1.00 0.00 O ATOM 252 CB LYS A 17 -15.284 1.123 10.854 1.00 0.00 C ATOM 253 CG LYS A 17 -14.393 2.030 11.693 1.00 0.00 C ATOM 254 CD LYS A 17 -15.106 3.325 12.054 1.00 0.00 C ATOM 255 CE LYS A 17 -14.275 4.166 13.012 1.00 0.00 C ATOM 256 NZ LYS A 17 -14.887 5.501 13.255 1.00 0.00 N ATOM 0 H LYS A 17 -16.024 -0.314 8.696 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.983 2.565 9.431 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -16.258 1.043 11.337 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.852 0.122 10.839 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.096 1.510 12.604 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.480 2.256 11.143 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.308 3.896 11.148 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -16.070 3.097 12.509 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.169 3.638 13.960 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.272 4.295 12.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.290 6.042 13.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.965 6.016 12.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -15.834 5.379 13.668 1.00 0.00 H new ATOM 270 N THR A 18 -13.699 3.017 8.523 1.00 0.00 N ATOM 271 CA THR A 18 -12.483 3.380 7.778 1.00 0.00 C ATOM 272 C THR A 18 -11.361 3.763 8.765 1.00 0.00 C ATOM 273 O THR A 18 -11.573 4.570 9.672 1.00 0.00 O ATOM 274 CB THR A 18 -12.733 4.547 6.805 1.00 0.00 C ATOM 275 OG1 THR A 18 -13.713 4.161 5.833 1.00 0.00 O ATOM 276 CG2 THR A 18 -11.445 4.935 6.095 1.00 0.00 C ATOM 0 H THR A 18 -14.201 3.825 8.891 1.00 0.00 H new ATOM 0 HA THR A 18 -12.184 2.512 7.190 1.00 0.00 H new ATOM 0 HB THR A 18 -13.094 5.404 7.374 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.346 3.456 5.260 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.641 5.761 5.412 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.702 5.242 6.831 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.068 4.081 5.533 1.00 0.00 H new ATOM 284 N TYR A 19 -10.180 3.158 8.585 1.00 0.00 N ATOM 285 CA TYR A 19 -8.976 3.429 9.392 1.00 0.00 C ATOM 286 C TYR A 19 -7.873 3.925 8.450 1.00 0.00 C ATOM 287 O TYR A 19 -7.551 3.253 7.466 1.00 0.00 O ATOM 288 CB TYR A 19 -8.519 2.182 10.152 1.00 0.00 C ATOM 289 CG TYR A 19 -9.565 1.618 11.089 1.00 0.00 C ATOM 290 CD1 TYR A 19 -10.517 0.717 10.634 1.00 0.00 C ATOM 291 CD2 TYR A 19 -9.596 1.986 12.426 1.00 0.00 C ATOM 292 CE1 TYR A 19 -11.475 0.198 11.485 1.00 0.00 C ATOM 293 CE2 TYR A 19 -10.548 1.474 13.285 1.00 0.00 C ATOM 294 CZ TYR A 19 -11.487 0.580 12.811 1.00 0.00 C ATOM 295 OH TYR A 19 -12.436 0.067 13.664 1.00 0.00 O ATOM 0 H TYR A 19 -10.028 2.454 7.863 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.203 4.189 10.140 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.237 1.413 9.433 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.625 2.425 10.726 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.510 0.416 9.597 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.863 2.685 12.801 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -12.209 -0.502 11.114 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.558 1.772 14.323 1.00 0.00 H new ATOM 0 HH TYR A 19 -12.303 0.437 14.562 1.00 0.00 H new ATOM 305 N GLU A 20 -7.302 5.105 8.725 1.00 0.00 N ATOM 306 CA GLU A 20 -6.214 5.665 7.891 1.00 0.00 C ATOM 307 C GLU A 20 -5.079 6.246 8.732 1.00 0.00 C ATOM 308 O GLU A 20 -5.315 6.839 9.793 1.00 0.00 O ATOM 309 CB GLU A 20 -6.761 6.743 6.953 1.00 0.00 C ATOM 310 CG GLU A 20 -7.338 7.959 7.663 1.00 0.00 C ATOM 311 CD GLU A 20 -7.907 8.946 6.681 1.00 0.00 C ATOM 312 OE1 GLU A 20 -7.915 8.652 5.510 1.00 0.00 O ATOM 313 OE2 GLU A 20 -8.435 9.944 7.111 1.00 0.00 O ATOM 0 H GLU A 20 -7.569 5.693 9.514 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.806 4.840 7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.961 7.070 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.535 6.302 6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.117 7.642 8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.560 8.440 8.256 1.00 0.00 H new ATOM 320 N ARG A 21 -3.843 6.047 8.234 1.00 0.00 N ATOM 321 CA ARG A 21 -2.611 6.511 8.881 1.00 0.00 C ATOM 322 C ARG A 21 -1.500 6.682 7.821 1.00 0.00 C ATOM 323 O ARG A 21 -1.406 5.884 6.879 1.00 0.00 O ATOM 324 CB ARG A 21 -2.176 5.605 10.023 1.00 0.00 C ATOM 325 CG ARG A 21 -1.045 6.152 10.879 1.00 0.00 C ATOM 326 CD ARG A 21 -0.736 5.334 12.080 1.00 0.00 C ATOM 327 NE ARG A 21 0.391 5.817 12.864 1.00 0.00 N ATOM 328 CZ ARG A 21 0.645 5.460 14.137 1.00 0.00 C ATOM 329 NH1 ARG A 21 -0.160 4.649 14.787 1.00 0.00 N ATOM 330 NH2 ARG A 21 1.715 5.966 14.725 1.00 0.00 N ATOM 0 H ARG A 21 -3.675 5.552 7.358 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.811 7.481 9.337 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.037 5.413 10.664 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.867 4.645 9.609 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.147 6.230 10.266 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.302 7.162 11.198 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.619 5.300 12.718 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.531 4.311 11.765 1.00 0.00 H new ATOM 0 HE ARG A 21 1.033 6.472 12.418 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.992 4.280 14.327 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.048 4.389 15.751 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.322 6.608 14.215 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.934 5.715 15.689 1.00 0.00 H new ATOM 344 N THR A 22 -0.696 7.743 7.979 1.00 0.00 N ATOM 345 CA THR A 22 0.454 8.030 7.114 1.00 0.00 C ATOM 346 C THR A 22 1.741 7.472 7.776 1.00 0.00 C ATOM 347 O THR A 22 1.982 7.698 8.966 1.00 0.00 O ATOM 348 CB THR A 22 0.611 9.539 6.854 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.562 10.039 6.199 1.00 0.00 O ATOM 350 CG2 THR A 22 1.827 9.807 5.981 1.00 0.00 C ATOM 0 H THR A 22 -0.828 8.432 8.719 1.00 0.00 H new ATOM 0 HA THR A 22 0.286 7.547 6.151 1.00 0.00 H new ATOM 0 HB THR A 22 0.745 10.044 7.811 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.461 11.000 6.036 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.922 10.879 5.808 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.723 9.440 6.482 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.710 9.294 5.026 1.00 0.00 H new ATOM 358 N TYR A 23 2.545 6.723 7.000 1.00 0.00 N ATOM 359 CA TYR A 23 3.778 6.069 7.491 1.00 0.00 C ATOM 360 C TYR A 23 4.996 6.613 6.731 1.00 0.00 C ATOM 361 O TYR A 23 4.902 6.891 5.539 1.00 0.00 O ATOM 362 CB TYR A 23 3.681 4.530 7.294 1.00 0.00 C ATOM 363 CG TYR A 23 2.464 3.885 7.981 1.00 0.00 C ATOM 364 CD1 TYR A 23 1.242 3.757 7.313 1.00 0.00 C ATOM 365 CD2 TYR A 23 2.539 3.419 9.298 1.00 0.00 C ATOM 366 CE1 TYR A 23 0.145 3.188 7.926 1.00 0.00 C ATOM 367 CE2 TYR A 23 1.441 2.844 9.915 1.00 0.00 C ATOM 368 CZ TYR A 23 0.247 2.734 9.221 1.00 0.00 C ATOM 369 OH TYR A 23 -0.856 2.170 9.831 1.00 0.00 O ATOM 0 H TYR A 23 2.360 6.552 6.012 1.00 0.00 H new ATOM 0 HA TYR A 23 3.892 6.285 8.553 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.640 4.313 6.227 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.590 4.067 7.679 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.155 4.111 6.296 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.468 3.509 9.842 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.790 3.099 7.392 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.515 2.484 10.930 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.574 1.692 10.639 1.00 0.00 H new ATOM 379 N GLN A 24 6.135 6.752 7.427 1.00 0.00 N ATOM 380 CA GLN A 24 7.396 7.211 6.813 1.00 0.00 C ATOM 381 C GLN A 24 8.290 5.986 6.586 1.00 0.00 C ATOM 382 O GLN A 24 8.671 5.305 7.543 1.00 0.00 O ATOM 383 CB GLN A 24 8.110 8.235 7.700 1.00 0.00 C ATOM 384 CG GLN A 24 7.346 9.534 7.889 1.00 0.00 C ATOM 385 CD GLN A 24 8.039 10.477 8.856 1.00 0.00 C ATOM 386 OE1 GLN A 24 9.162 10.221 9.297 1.00 0.00 O ATOM 387 NE2 GLN A 24 7.370 11.574 9.192 1.00 0.00 N ATOM 0 H GLN A 24 6.211 6.552 8.424 1.00 0.00 H new ATOM 0 HA GLN A 24 7.178 7.704 5.866 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.292 7.788 8.677 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.084 8.459 7.265 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.230 10.028 6.924 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.344 9.313 8.256 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.443 11.745 8.803 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.783 12.245 9.839 1.00 0.00 H new ATOM 396 N LEU A 25 8.623 5.714 5.317 1.00 0.00 N ATOM 397 CA LEU A 25 9.482 4.583 4.930 1.00 0.00 C ATOM 398 C LEU A 25 10.730 5.103 4.201 1.00 0.00 C ATOM 399 O LEU A 25 10.630 5.694 3.127 1.00 0.00 O ATOM 400 CB LEU A 25 8.690 3.567 4.041 1.00 0.00 C ATOM 401 CG LEU A 25 7.361 3.007 4.647 1.00 0.00 C ATOM 402 CD1 LEU A 25 6.642 2.063 3.661 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.617 2.300 5.992 1.00 0.00 C ATOM 0 H LEU A 25 8.304 6.273 4.526 1.00 0.00 H new ATOM 0 HA LEU A 25 9.801 4.055 5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.457 4.051 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.345 2.725 3.816 1.00 0.00 H new ATOM 0 HG LEU A 25 6.705 3.858 4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.723 1.693 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.402 2.606 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.293 1.222 3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.675 1.921 6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.307 1.470 5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.050 3.008 6.699 1.00 0.00 H new ATOM 415 N TYR A 26 11.902 4.920 4.832 1.00 0.00 N ATOM 416 CA TYR A 26 13.192 5.231 4.215 1.00 0.00 C ATOM 417 C TYR A 26 13.846 3.941 3.707 1.00 0.00 C ATOM 418 O TYR A 26 13.953 2.963 4.451 1.00 0.00 O ATOM 419 CB TYR A 26 14.113 5.943 5.208 1.00 0.00 C ATOM 420 CG TYR A 26 15.456 6.332 4.630 1.00 0.00 C ATOM 421 CD1 TYR A 26 15.584 7.447 3.813 1.00 0.00 C ATOM 422 CD2 TYR A 26 16.592 5.585 4.903 1.00 0.00 C ATOM 423 CE1 TYR A 26 16.808 7.805 3.281 1.00 0.00 C ATOM 424 CE2 TYR A 26 17.820 5.935 4.378 1.00 0.00 C ATOM 425 CZ TYR A 26 17.925 7.047 3.567 1.00 0.00 C ATOM 426 OH TYR A 26 19.146 7.400 3.041 1.00 0.00 O ATOM 0 H TYR A 26 11.976 4.553 5.781 1.00 0.00 H new ATOM 0 HA TYR A 26 13.024 5.902 3.373 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.613 6.840 5.574 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.273 5.294 6.069 1.00 0.00 H new ATOM 0 HD1 TYR A 26 14.713 8.045 3.590 1.00 0.00 H new ATOM 0 HD2 TYR A 26 16.515 4.714 5.537 1.00 0.00 H new ATOM 0 HE1 TYR A 26 16.890 8.674 2.645 1.00 0.00 H new ATOM 0 HE2 TYR A 26 18.694 5.342 4.601 1.00 0.00 H new ATOM 0 HH TYR A 26 19.828 6.763 3.341 1.00 0.00 H new ATOM 436 N ALA A 27 14.290 3.953 2.451 1.00 0.00 N ATOM 437 CA ALA A 27 14.877 2.780 1.791 1.00 0.00 C ATOM 438 C ALA A 27 15.971 3.234 0.829 1.00 0.00 C ATOM 439 O ALA A 27 15.863 4.305 0.236 1.00 0.00 O ATOM 440 CB ALA A 27 13.784 2.012 1.053 1.00 0.00 C ATOM 0 H ALA A 27 14.254 4.781 1.856 1.00 0.00 H new ATOM 0 HA ALA A 27 15.323 2.118 2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.219 1.141 0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.025 1.687 1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.327 2.659 0.304 1.00 0.00 H new ATOM 446 N VAL A 28 17.028 2.415 0.709 1.00 0.00 N ATOM 447 CA VAL A 28 18.127 2.628 -0.261 1.00 0.00 C ATOM 448 C VAL A 28 17.845 1.817 -1.542 1.00 0.00 C ATOM 449 O VAL A 28 18.098 2.260 -2.667 1.00 0.00 O ATOM 450 CB VAL A 28 19.496 2.220 0.315 1.00 0.00 C ATOM 451 CG1 VAL A 28 20.574 2.318 -0.753 1.00 0.00 C ATOM 452 CG2 VAL A 28 19.852 3.090 1.511 1.00 0.00 C ATOM 0 H VAL A 28 17.150 1.581 1.283 1.00 0.00 H new ATOM 0 HA VAL A 28 18.168 3.694 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 28 19.434 1.184 0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.535 2.026 -0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.327 1.654 -1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 28 20.635 3.344 -1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 28 20.822 2.788 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 28 19.896 4.134 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.094 2.973 2.285 1.00 0.00 H new ATOM 462 N ARG A 29 17.344 0.605 -1.324 1.00 0.00 N ATOM 463 CA ARG A 29 16.987 -0.351 -2.373 1.00 0.00 C ATOM 464 C ARG A 29 15.460 -0.392 -2.446 1.00 0.00 C ATOM 465 O ARG A 29 14.793 -0.325 -1.414 1.00 0.00 O ATOM 466 CB ARG A 29 17.600 -1.729 -2.169 1.00 0.00 C ATOM 467 CG ARG A 29 19.119 -1.761 -2.184 1.00 0.00 C ATOM 468 CD ARG A 29 19.704 -3.117 -2.018 1.00 0.00 C ATOM 469 NE ARG A 29 19.426 -3.740 -0.734 1.00 0.00 N ATOM 470 CZ ARG A 29 19.764 -5.002 -0.407 1.00 0.00 C ATOM 471 NH1 ARG A 29 20.359 -5.790 -1.275 1.00 0.00 N ATOM 472 NH2 ARG A 29 19.460 -5.437 0.803 1.00 0.00 N ATOM 0 H ARG A 29 17.169 0.248 -0.385 1.00 0.00 H new ATOM 0 HA ARG A 29 17.404 -0.020 -3.324 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.252 -2.128 -1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.229 -2.395 -2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 29 19.470 -1.339 -3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.492 -1.117 -1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.325 -3.762 -2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 29 20.784 -3.052 -2.150 1.00 0.00 H new ATOM 0 HE ARG A 29 18.941 -3.182 -0.031 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.571 -5.448 -2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.608 -6.743 -1.011 1.00 0.00 H new ATOM 0 HH21 ARG A 29 18.982 -4.822 1.461 1.00 0.00 H new ATOM 0 HH22 ARG A 29 19.703 -6.388 1.079 1.00 0.00 H new ATOM 486 N ASP A 30 14.924 -0.546 -3.652 1.00 0.00 N ATOM 487 CA ASP A 30 13.469 -0.693 -3.881 1.00 0.00 C ATOM 488 C ASP A 30 12.919 -1.928 -3.120 1.00 0.00 C ATOM 489 O ASP A 30 11.798 -1.909 -2.605 1.00 0.00 O ATOM 490 CB ASP A 30 13.168 -0.813 -5.376 1.00 0.00 C ATOM 491 CG ASP A 30 13.339 0.482 -6.159 1.00 0.00 C ATOM 492 OD1 ASP A 30 13.464 1.513 -5.541 1.00 0.00 O ATOM 493 OD2 ASP A 30 13.501 0.414 -7.353 1.00 0.00 O ATOM 0 H ASP A 30 15.478 -0.574 -4.508 1.00 0.00 H new ATOM 0 HA ASP A 30 12.972 0.199 -3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.822 -1.572 -5.806 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.144 -1.166 -5.501 1.00 0.00 H new ATOM 498 N GLU A 31 13.768 -2.977 -3.042 1.00 0.00 N ATOM 499 CA GLU A 31 13.483 -4.232 -2.324 1.00 0.00 C ATOM 500 C GLU A 31 13.346 -4.014 -0.803 1.00 0.00 C ATOM 501 O GLU A 31 12.537 -4.677 -0.152 1.00 0.00 O ATOM 502 CB GLU A 31 14.580 -5.262 -2.606 1.00 0.00 C ATOM 503 CG GLU A 31 14.573 -5.815 -4.024 1.00 0.00 C ATOM 504 CD GLU A 31 15.731 -6.747 -4.253 1.00 0.00 C ATOM 505 OE1 GLU A 31 16.533 -6.896 -3.363 1.00 0.00 O ATOM 506 OE2 GLU A 31 15.753 -7.395 -5.273 1.00 0.00 O ATOM 0 H GLU A 31 14.686 -2.971 -3.486 1.00 0.00 H new ATOM 0 HA GLU A 31 12.527 -4.605 -2.690 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.550 -4.804 -2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.473 -6.090 -1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.637 -6.343 -4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.619 -4.992 -4.738 1.00 0.00 H new ATOM 513 N GLU A 32 14.135 -3.081 -0.238 1.00 0.00 N ATOM 514 CA GLU A 32 14.046 -2.744 1.198 1.00 0.00 C ATOM 515 C GLU A 32 12.678 -2.120 1.522 1.00 0.00 C ATOM 516 O GLU A 32 12.110 -2.385 2.577 1.00 0.00 O ATOM 517 CB GLU A 32 15.172 -1.789 1.603 1.00 0.00 C ATOM 518 CG GLU A 32 16.561 -2.408 1.576 1.00 0.00 C ATOM 519 CD GLU A 32 16.745 -3.387 2.702 1.00 0.00 C ATOM 520 OE1 GLU A 32 15.892 -3.450 3.554 1.00 0.00 O ATOM 521 OE2 GLU A 32 17.679 -4.152 2.651 1.00 0.00 O ATOM 0 H GLU A 32 14.839 -2.549 -0.750 1.00 0.00 H new ATOM 0 HA GLU A 32 14.154 -3.666 1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.159 -0.927 0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.973 -1.417 2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.718 -2.913 0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.313 -1.622 1.648 1.00 0.00 H new ATOM 528 N LEU A 33 12.156 -1.315 0.579 1.00 0.00 N ATOM 529 CA LEU A 33 10.828 -0.679 0.693 1.00 0.00 C ATOM 530 C LEU A 33 9.687 -1.731 0.601 1.00 0.00 C ATOM 531 O LEU A 33 8.706 -1.619 1.326 1.00 0.00 O ATOM 532 CB LEU A 33 10.675 0.440 -0.401 1.00 0.00 C ATOM 533 CG LEU A 33 9.772 1.684 -0.047 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.282 1.335 0.116 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.291 2.430 1.194 1.00 0.00 C ATOM 0 H LEU A 33 12.644 -1.086 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 33 10.748 -0.212 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.671 0.807 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.272 -0.023 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 33 9.845 2.348 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.721 2.238 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.904 0.912 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.164 0.608 0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.642 3.280 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.294 1.755 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.305 2.785 1.008 1.00 0.00 H new ATOM 547 N LYS A 34 9.841 -2.743 -0.284 1.00 0.00 N ATOM 548 CA LYS A 34 8.790 -3.753 -0.567 1.00 0.00 C ATOM 549 C LYS A 34 8.311 -4.460 0.717 1.00 0.00 C ATOM 550 O LYS A 34 7.108 -4.513 0.984 1.00 0.00 O ATOM 551 CB LYS A 34 9.302 -4.790 -1.568 1.00 0.00 C ATOM 552 CG LYS A 34 9.337 -4.307 -3.012 1.00 0.00 C ATOM 553 CD LYS A 34 9.999 -5.330 -3.923 1.00 0.00 C ATOM 554 CE LYS A 34 9.219 -6.637 -3.947 1.00 0.00 C ATOM 555 NZ LYS A 34 9.886 -7.666 -4.792 1.00 0.00 N ATOM 0 H LYS A 34 10.696 -2.884 -0.822 1.00 0.00 H new ATOM 0 HA LYS A 34 7.939 -3.223 -0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.307 -5.095 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.670 -5.676 -1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.321 -4.113 -3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.879 -3.363 -3.069 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.070 -4.928 -4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.017 -5.518 -3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.113 -7.015 -2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.213 -6.453 -4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.218 -8.438 -4.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.193 -7.234 -5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.713 -8.046 -4.289 1.00 0.00 H new ATOM 569 N GLU A 35 9.284 -4.967 1.496 1.00 0.00 N ATOM 570 CA GLU A 35 9.028 -5.668 2.762 1.00 0.00 C ATOM 571 C GLU A 35 8.376 -4.755 3.818 1.00 0.00 C ATOM 572 O GLU A 35 7.561 -5.219 4.619 1.00 0.00 O ATOM 573 CB GLU A 35 10.333 -6.250 3.313 1.00 0.00 C ATOM 574 CG GLU A 35 11.369 -5.206 3.707 1.00 0.00 C ATOM 575 CD GLU A 35 12.621 -5.851 4.232 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.688 -7.057 4.241 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.556 -5.141 4.519 1.00 0.00 O ATOM 0 H GLU A 35 10.274 -4.900 1.261 1.00 0.00 H new ATOM 0 HA GLU A 35 8.324 -6.472 2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.104 -6.864 4.184 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.768 -6.911 2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.611 -4.587 2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.952 -4.545 4.467 1.00 0.00 H new ATOM 584 N LYS A 36 8.727 -3.447 3.784 1.00 0.00 N ATOM 585 CA LYS A 36 8.157 -2.436 4.692 1.00 0.00 C ATOM 586 C LYS A 36 6.662 -2.255 4.404 1.00 0.00 C ATOM 587 O LYS A 36 5.860 -2.216 5.332 1.00 0.00 O ATOM 588 CB LYS A 36 8.890 -1.101 4.552 1.00 0.00 C ATOM 589 CG LYS A 36 10.312 -1.104 5.096 1.00 0.00 C ATOM 590 CD LYS A 36 10.925 0.289 5.053 1.00 0.00 C ATOM 591 CE LYS A 36 12.279 0.319 5.745 1.00 0.00 C ATOM 592 NZ LYS A 36 13.320 -0.403 4.965 1.00 0.00 N ATOM 0 H LYS A 36 9.410 -3.070 3.128 1.00 0.00 H new ATOM 0 HA LYS A 36 8.282 -2.785 5.717 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.918 -0.825 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.318 -0.330 5.069 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.310 -1.471 6.122 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.925 -1.791 4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.037 0.607 4.017 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.253 0.999 5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.588 1.354 5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.191 -0.130 6.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.819 -1.070 5.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.870 -0.925 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.999 0.282 4.576 1.00 0.00 H new ATOM 606 N LEU A 37 6.313 -2.206 3.098 1.00 0.00 N ATOM 607 CA LEU A 37 4.915 -2.120 2.629 1.00 0.00 C ATOM 608 C LEU A 37 4.100 -3.328 3.108 1.00 0.00 C ATOM 609 O LEU A 37 2.966 -3.152 3.559 1.00 0.00 O ATOM 610 CB LEU A 37 4.870 -2.021 1.098 1.00 0.00 C ATOM 611 CG LEU A 37 5.386 -0.700 0.515 1.00 0.00 C ATOM 612 CD1 LEU A 37 5.570 -0.831 -0.991 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.406 0.417 0.842 1.00 0.00 C ATOM 0 H LEU A 37 6.996 -2.225 2.340 1.00 0.00 H new ATOM 0 HA LEU A 37 4.470 -1.220 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.457 -2.839 0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.841 -2.167 0.770 1.00 0.00 H new ATOM 0 HG LEU A 37 6.353 -0.460 0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.937 0.112 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.290 -1.621 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.615 -1.078 -1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.773 1.356 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.433 0.185 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.309 0.511 1.924 1.00 0.00 H new ATOM 625 N LYS A 38 4.697 -4.542 3.006 1.00 0.00 N ATOM 626 CA LYS A 38 4.086 -5.783 3.512 1.00 0.00 C ATOM 627 C LYS A 38 3.851 -5.706 5.025 1.00 0.00 C ATOM 628 O LYS A 38 2.758 -6.026 5.486 1.00 0.00 O ATOM 629 CB LYS A 38 4.965 -6.989 3.179 1.00 0.00 C ATOM 630 CG LYS A 38 5.018 -7.338 1.697 1.00 0.00 C ATOM 631 CD LYS A 38 6.011 -8.460 1.428 1.00 0.00 C ATOM 632 CE LYS A 38 5.525 -9.781 2.004 1.00 0.00 C ATOM 633 NZ LYS A 38 6.454 -10.900 1.690 1.00 0.00 N ATOM 0 H LYS A 38 5.610 -4.681 2.572 1.00 0.00 H new ATOM 0 HA LYS A 38 3.120 -5.903 3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.978 -6.793 3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.598 -7.854 3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.027 -7.637 1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.299 -6.455 1.123 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.163 -8.564 0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.977 -8.205 1.863 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.420 -9.689 3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.536 -10.008 1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.053 -11.793 2.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.587 -10.962 0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.372 -10.728 2.148 1.00 0.00 H new ATOM 647 N LYS A 39 4.860 -5.214 5.774 1.00 0.00 N ATOM 648 CA LYS A 39 4.758 -5.068 7.239 1.00 0.00 C ATOM 649 C LYS A 39 3.655 -4.061 7.626 1.00 0.00 C ATOM 650 O LYS A 39 2.846 -4.365 8.495 1.00 0.00 O ATOM 651 CB LYS A 39 6.099 -4.630 7.827 1.00 0.00 C ATOM 652 CG LYS A 39 7.172 -5.712 7.823 1.00 0.00 C ATOM 653 CD LYS A 39 8.482 -5.195 8.397 1.00 0.00 C ATOM 654 CE LYS A 39 9.571 -6.256 8.338 1.00 0.00 C ATOM 655 NZ LYS A 39 10.864 -5.759 8.882 1.00 0.00 N ATOM 0 H LYS A 39 5.754 -4.912 5.387 1.00 0.00 H new ATOM 0 HA LYS A 39 4.490 -6.040 7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.465 -3.771 7.265 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.941 -4.296 8.853 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.830 -6.568 8.405 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.333 -6.064 6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.801 -4.313 7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.331 -4.884 9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.254 -7.133 8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.711 -6.575 7.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.578 -6.513 8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.181 -4.938 8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.738 -5.479 9.876 1.00 0.00 H new ATOM 669 N VAL A 40 3.611 -2.895 6.936 1.00 0.00 N ATOM 670 CA VAL A 40 2.597 -1.830 7.175 1.00 0.00 C ATOM 671 C VAL A 40 1.159 -2.343 6.908 1.00 0.00 C ATOM 672 O VAL A 40 0.256 -2.106 7.717 1.00 0.00 O ATOM 673 CB VAL A 40 2.857 -0.594 6.293 1.00 0.00 C ATOM 674 CG1 VAL A 40 1.668 0.354 6.342 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.125 0.120 6.737 1.00 0.00 C ATOM 0 H VAL A 40 4.276 -2.663 6.198 1.00 0.00 H new ATOM 0 HA VAL A 40 2.688 -1.548 8.224 1.00 0.00 H new ATOM 0 HB VAL A 40 2.991 -0.927 5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.868 1.222 5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.778 -0.160 5.978 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.505 0.680 7.369 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.293 0.991 6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.018 0.441 7.773 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.973 -0.559 6.653 1.00 0.00 H new ATOM 685 N LEU A 41 0.983 -3.065 5.785 1.00 0.00 N ATOM 686 CA LEU A 41 -0.310 -3.657 5.402 1.00 0.00 C ATOM 687 C LEU A 41 -0.766 -4.715 6.428 1.00 0.00 C ATOM 688 O LEU A 41 -1.914 -4.673 6.863 1.00 0.00 O ATOM 689 CB LEU A 41 -0.212 -4.277 4.003 1.00 0.00 C ATOM 690 CG LEU A 41 -0.270 -3.277 2.840 1.00 0.00 C ATOM 691 CD1 LEU A 41 0.141 -3.961 1.543 1.00 0.00 C ATOM 692 CD2 LEU A 41 -1.676 -2.709 2.728 1.00 0.00 C ATOM 0 H LEU A 41 1.733 -3.253 5.120 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.056 -2.863 5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.722 -4.835 3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.023 -4.996 3.884 1.00 0.00 H new ATOM 0 HG LEU A 41 0.425 -2.458 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.097 -3.244 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.158 -4.341 1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.537 -4.789 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.717 -1.999 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.382 -3.519 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.938 -2.201 3.656 1.00 0.00 H new ATOM 704 N ASN A 42 0.149 -5.628 6.820 1.00 0.00 N ATOM 705 CA ASN A 42 -0.136 -6.689 7.820 1.00 0.00 C ATOM 706 C ASN A 42 -0.437 -6.087 9.211 1.00 0.00 C ATOM 707 O ASN A 42 -1.387 -6.490 9.873 1.00 0.00 O ATOM 708 CB ASN A 42 1.009 -7.680 7.921 1.00 0.00 C ATOM 709 CG ASN A 42 1.098 -8.621 6.752 1.00 0.00 C ATOM 710 OD1 ASN A 42 0.124 -8.831 6.021 1.00 0.00 O ATOM 711 ND2 ASN A 42 2.238 -9.251 6.620 1.00 0.00 N ATOM 0 H ASN A 42 1.102 -5.654 6.457 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.022 -7.221 7.474 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.947 -7.131 8.006 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.895 -8.261 8.836 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.352 -9.952 5.888 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.013 -9.041 7.250 1.00 0.00 H new ATOM 718 N GLU A 43 0.381 -5.092 9.602 1.00 0.00 N ATOM 719 CA GLU A 43 0.280 -4.388 10.896 1.00 0.00 C ATOM 720 C GLU A 43 -1.045 -3.629 11.022 1.00 0.00 C ATOM 721 O GLU A 43 -1.691 -3.680 12.072 1.00 0.00 O ATOM 722 CB GLU A 43 1.451 -3.420 11.076 1.00 0.00 C ATOM 723 CG GLU A 43 1.449 -2.669 12.400 1.00 0.00 C ATOM 724 CD GLU A 43 2.644 -1.764 12.517 1.00 0.00 C ATOM 725 OE1 GLU A 43 3.440 -1.743 11.609 1.00 0.00 O ATOM 726 OE2 GLU A 43 2.705 -1.012 13.461 1.00 0.00 O ATOM 0 H GLU A 43 1.144 -4.748 9.018 1.00 0.00 H new ATOM 0 HA GLU A 43 0.316 -5.144 11.681 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.384 -3.977 10.990 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.436 -2.696 10.262 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.535 -2.081 12.486 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.448 -3.382 13.225 1.00 0.00 H new ATOM 733 N ARG A 44 -1.423 -2.903 9.950 1.00 0.00 N ATOM 734 CA ARG A 44 -2.696 -2.174 9.893 1.00 0.00 C ATOM 735 C ARG A 44 -3.885 -3.151 9.937 1.00 0.00 C ATOM 736 O ARG A 44 -4.886 -2.891 10.608 1.00 0.00 O ATOM 737 CB ARG A 44 -2.773 -1.247 8.690 1.00 0.00 C ATOM 738 CG ARG A 44 -4.131 -0.599 8.467 1.00 0.00 C ATOM 739 CD ARG A 44 -4.652 0.149 9.640 1.00 0.00 C ATOM 740 NE ARG A 44 -3.736 1.141 10.178 1.00 0.00 N ATOM 741 CZ ARG A 44 -3.924 1.811 11.331 1.00 0.00 C ATOM 742 NH1 ARG A 44 -5.008 1.628 12.051 1.00 0.00 N ATOM 743 NH2 ARG A 44 -3.000 2.677 11.709 1.00 0.00 N ATOM 0 H ARG A 44 -0.855 -2.809 9.108 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.750 -1.537 10.776 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.027 -0.461 8.807 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.505 -1.811 7.797 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.061 0.082 7.619 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.849 -1.373 8.196 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.579 0.646 9.355 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.900 -0.563 10.427 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.891 1.344 9.644 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.723 0.970 11.739 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.135 2.144 12.922 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.172 2.823 11.132 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.115 3.199 12.578 1.00 0.00 H new ATOM 757 N MET A 45 -3.737 -4.288 9.235 1.00 0.00 N ATOM 758 CA MET A 45 -4.813 -5.280 9.080 1.00 0.00 C ATOM 759 C MET A 45 -4.887 -6.302 10.224 1.00 0.00 C ATOM 760 O MET A 45 -5.837 -7.091 10.262 1.00 0.00 O ATOM 761 CB MET A 45 -4.641 -6.014 7.751 1.00 0.00 C ATOM 762 CG MET A 45 -4.873 -5.149 6.520 1.00 0.00 C ATOM 763 SD MET A 45 -4.821 -6.096 4.986 1.00 0.00 S ATOM 764 CE MET A 45 -6.341 -7.032 5.115 1.00 0.00 C ATOM 0 H MET A 45 -2.871 -4.544 8.761 1.00 0.00 H new ATOM 0 HA MET A 45 -5.750 -4.724 9.103 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.633 -6.426 7.706 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.332 -6.857 7.723 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.841 -4.655 6.605 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.117 -4.365 6.484 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.543 -7.531 4.167 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.243 -7.778 5.904 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.164 -6.358 5.353 1.00 0.00 H new ATOM 774 N ASP A 46 -3.921 -6.278 11.151 1.00 0.00 N ATOM 775 CA ASP A 46 -3.984 -7.095 12.384 1.00 0.00 C ATOM 776 C ASP A 46 -5.333 -6.885 13.144 1.00 0.00 C ATOM 777 O ASP A 46 -6.056 -7.868 13.370 1.00 0.00 O ATOM 778 CB ASP A 46 -2.802 -6.763 13.299 1.00 0.00 C ATOM 779 CG ASP A 46 -1.479 -7.381 12.868 1.00 0.00 C ATOM 780 OD1 ASP A 46 -1.495 -8.235 12.013 1.00 0.00 O ATOM 781 OD2 ASP A 46 -0.455 -6.890 13.277 1.00 0.00 O ATOM 0 H ASP A 46 -3.082 -5.703 11.076 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.927 -8.144 12.092 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.686 -5.680 13.343 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.034 -7.100 14.309 1.00 0.00 H new ATOM 786 N PRO A 47 -5.723 -5.618 13.550 1.00 0.00 N ATOM 787 CA PRO A 47 -7.049 -5.373 14.185 1.00 0.00 C ATOM 788 C PRO A 47 -8.239 -5.600 13.218 1.00 0.00 C ATOM 789 O PRO A 47 -9.349 -5.861 13.672 1.00 0.00 O ATOM 790 CB PRO A 47 -6.955 -3.894 14.640 1.00 0.00 C ATOM 791 CG PRO A 47 -5.961 -3.275 13.704 1.00 0.00 C ATOM 792 CD PRO A 47 -4.933 -4.353 13.445 1.00 0.00 C ATOM 0 HA PRO A 47 -7.246 -6.067 15.002 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.923 -3.397 14.576 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.625 -3.818 15.676 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.439 -2.956 12.778 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.501 -2.391 14.146 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.477 -4.245 12.461 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.125 -4.322 14.176 1.00 0.00 H new ATOM 800 N ILE A 48 -7.985 -5.518 11.892 1.00 0.00 N ATOM 801 CA ILE A 48 -9.036 -5.634 10.844 1.00 0.00 C ATOM 802 C ILE A 48 -9.630 -7.068 10.827 1.00 0.00 C ATOM 803 O ILE A 48 -10.830 -7.250 10.551 1.00 0.00 O ATOM 804 CB ILE A 48 -8.452 -5.252 9.433 1.00 0.00 C ATOM 805 CG1 ILE A 48 -7.992 -3.757 9.393 1.00 0.00 C ATOM 806 CG2 ILE A 48 -9.422 -5.569 8.272 1.00 0.00 C ATOM 807 CD1 ILE A 48 -9.072 -2.715 9.632 1.00 0.00 C ATOM 0 H ILE A 48 -7.049 -5.370 11.515 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.839 -4.936 11.079 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.576 -5.883 9.284 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.211 -3.619 10.141 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.539 -3.564 8.420 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.963 -5.283 7.326 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.640 -6.637 8.262 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.348 -5.011 8.409 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.634 -1.718 9.580 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.845 -2.811 8.870 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.513 -2.867 10.617 1.00 0.00 H new ATOM 819 N LYS A 49 -8.776 -8.066 11.163 1.00 0.00 N ATOM 820 CA LYS A 49 -9.183 -9.487 11.263 1.00 0.00 C ATOM 821 C LYS A 49 -10.129 -9.661 12.464 1.00 0.00 C ATOM 822 O LYS A 49 -11.182 -10.283 12.366 1.00 0.00 O ATOM 823 CB LYS A 49 -7.965 -10.402 11.405 1.00 0.00 C ATOM 824 CG LYS A 49 -7.114 -10.517 10.147 1.00 0.00 C ATOM 825 CD LYS A 49 -5.920 -11.432 10.369 1.00 0.00 C ATOM 826 CE LYS A 49 -5.053 -11.524 9.121 1.00 0.00 C ATOM 827 NZ LYS A 49 -3.868 -12.399 9.330 1.00 0.00 N ATOM 0 H LYS A 49 -7.790 -7.908 11.371 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.702 -9.769 10.347 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.341 -10.032 12.219 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.305 -11.397 11.691 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.722 -10.901 9.328 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.766 -9.528 9.849 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.324 -11.059 11.202 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.268 -12.427 10.646 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.648 -11.911 8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.721 -10.526 8.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.304 -12.435 8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.286 -12.017 10.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.184 -13.358 9.577 1.00 0.00 H new ATOM 841 N LYS A 50 -9.740 -9.006 13.563 1.00 0.00 N ATOM 842 CA LYS A 50 -10.527 -8.906 14.793 1.00 0.00 C ATOM 843 C LYS A 50 -11.882 -8.210 14.542 1.00 0.00 C ATOM 844 O LYS A 50 -12.877 -8.540 15.193 1.00 0.00 O ATOM 845 CB LYS A 50 -9.736 -8.156 15.865 1.00 0.00 C ATOM 846 CG LYS A 50 -10.482 -7.963 17.179 1.00 0.00 C ATOM 847 CD LYS A 50 -9.604 -7.287 18.221 1.00 0.00 C ATOM 848 CE LYS A 50 -9.266 -5.859 17.819 1.00 0.00 C ATOM 849 NZ LYS A 50 -8.430 -5.176 18.843 1.00 0.00 N ATOM 0 H LYS A 50 -8.846 -8.519 13.621 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.733 -9.918 15.143 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.811 -8.698 16.063 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.455 -7.178 15.474 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.375 -7.361 17.007 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.817 -8.930 17.555 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.115 -7.284 19.184 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.684 -7.858 18.350 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.738 -5.866 16.865 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.188 -5.297 17.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.222 -4.206 18.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.944 -5.146 19.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.539 -5.698 18.968 1.00 0.00 H new ATOM 863 N LEU A 51 -11.920 -7.268 13.581 1.00 0.00 N ATOM 864 CA LEU A 51 -13.158 -6.549 13.220 1.00 0.00 C ATOM 865 C LEU A 51 -14.060 -7.427 12.332 1.00 0.00 C ATOM 866 O LEU A 51 -15.268 -7.177 12.231 1.00 0.00 O ATOM 867 CB LEU A 51 -12.823 -5.233 12.508 1.00 0.00 C ATOM 868 CG LEU A 51 -12.086 -4.195 13.366 1.00 0.00 C ATOM 869 CD1 LEU A 51 -11.713 -2.987 12.517 1.00 0.00 C ATOM 870 CD2 LEU A 51 -12.970 -3.782 14.534 1.00 0.00 C ATOM 0 H LEU A 51 -11.104 -6.986 13.038 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.701 -6.320 14.137 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.213 -5.457 11.633 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.750 -4.789 12.145 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.168 -4.632 13.759 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -11.191 -2.256 13.134 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.064 -3.303 11.700 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.617 -2.536 12.108 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.447 -3.045 15.143 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.895 -3.348 14.155 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.202 -4.657 15.142 1.00 0.00 H new ATOM 882 N GLY A 52 -13.446 -8.433 11.674 1.00 0.00 N ATOM 883 CA GLY A 52 -14.185 -9.458 10.937 1.00 0.00 C ATOM 884 C GLY A 52 -14.935 -8.901 9.724 1.00 0.00 C ATOM 885 O GLY A 52 -16.118 -8.552 9.822 1.00 0.00 O ATOM 0 H GLY A 52 -12.433 -8.550 11.644 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.491 -10.230 10.605 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.897 -9.938 11.608 1.00 0.00 H new ATOM 889 N CYS A 53 -14.235 -8.808 8.585 1.00 0.00 N ATOM 890 CA CYS A 53 -14.820 -8.357 7.310 1.00 0.00 C ATOM 891 C CYS A 53 -14.383 -9.264 6.143 1.00 0.00 C ATOM 892 O CYS A 53 -13.187 -9.540 5.964 1.00 0.00 O ATOM 893 CB CYS A 53 -14.446 -6.874 7.063 1.00 0.00 C ATOM 894 SG CYS A 53 -12.712 -6.454 7.452 1.00 0.00 S ATOM 0 H CYS A 53 -13.245 -9.043 8.519 1.00 0.00 H new ATOM 0 HA CYS A 53 -15.906 -8.431 7.370 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -14.639 -6.633 6.018 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -15.102 -6.243 7.662 1.00 0.00 H new ATOM 899 N LYS A 54 -15.395 -9.728 5.368 1.00 0.00 N ATOM 900 CA LYS A 54 -15.221 -10.690 4.264 1.00 0.00 C ATOM 901 C LYS A 54 -14.435 -10.056 3.114 1.00 0.00 C ATOM 902 O LYS A 54 -13.647 -10.724 2.453 1.00 0.00 O ATOM 903 CB LYS A 54 -16.575 -11.193 3.762 1.00 0.00 C ATOM 904 CG LYS A 54 -17.308 -12.107 4.735 1.00 0.00 C ATOM 905 CD LYS A 54 -18.644 -12.563 4.167 1.00 0.00 C ATOM 906 CE LYS A 54 -19.385 -13.462 5.145 1.00 0.00 C ATOM 907 NZ LYS A 54 -20.705 -13.895 4.614 1.00 0.00 N ATOM 0 H LYS A 54 -16.364 -9.438 5.498 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.656 -11.541 4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -17.209 -10.334 3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.425 -11.727 2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.689 -12.976 4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.471 -11.583 5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -19.258 -11.693 3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -18.480 -13.098 3.231 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -18.776 -14.340 5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -19.529 -12.932 6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -21.176 -14.506 5.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -21.296 -13.059 4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -20.567 -14.423 3.729 1.00 0.00 H new ATOM 921 N ARG A 55 -14.666 -8.757 2.868 1.00 0.00 N ATOM 922 CA ARG A 55 -13.853 -7.976 1.921 1.00 0.00 C ATOM 923 C ARG A 55 -13.480 -6.630 2.551 1.00 0.00 C ATOM 924 O ARG A 55 -14.211 -6.096 3.396 1.00 0.00 O ATOM 925 CB ARG A 55 -14.531 -7.798 0.570 1.00 0.00 C ATOM 926 CG ARG A 55 -14.648 -9.068 -0.258 1.00 0.00 C ATOM 927 CD ARG A 55 -15.291 -8.877 -1.584 1.00 0.00 C ATOM 928 NE ARG A 55 -15.415 -10.092 -2.374 1.00 0.00 N ATOM 929 CZ ARG A 55 -16.493 -10.899 -2.370 1.00 0.00 C ATOM 930 NH1 ARG A 55 -17.525 -10.648 -1.594 1.00 0.00 N ATOM 931 NH2 ARG A 55 -16.477 -11.966 -3.150 1.00 0.00 N ATOM 0 H ARG A 55 -15.412 -8.223 3.314 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.941 -8.538 1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.530 -7.393 0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.976 -7.057 -0.004 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.651 -9.484 -0.407 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.219 -9.805 0.307 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.284 -8.453 -1.435 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.714 -8.147 -2.152 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.631 -10.351 -2.973 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -17.517 -9.831 -0.983 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -18.333 -11.270 -1.604 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.663 -12.159 -3.733 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.279 -12.596 -3.169 1.00 0.00 H new ATOM 945 N VAL A 56 -12.318 -6.118 2.136 1.00 0.00 N ATOM 946 CA VAL A 56 -11.750 -4.858 2.596 1.00 0.00 C ATOM 947 C VAL A 56 -11.357 -4.021 1.360 1.00 0.00 C ATOM 948 O VAL A 56 -11.062 -4.587 0.299 1.00 0.00 O ATOM 949 CB VAL A 56 -10.521 -5.074 3.500 1.00 0.00 C ATOM 950 CG1 VAL A 56 -10.920 -5.805 4.774 1.00 0.00 C ATOM 951 CG2 VAL A 56 -9.442 -5.847 2.759 1.00 0.00 C ATOM 0 H VAL A 56 -11.731 -6.589 1.447 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.497 -4.336 3.194 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.119 -4.098 3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.040 -5.950 5.401 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.659 -5.215 5.316 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.347 -6.775 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.582 -5.990 3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.833 -6.818 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.136 -5.288 1.875 1.00 0.00 H new ATOM 961 N ARG A 57 -11.404 -2.687 1.481 1.00 0.00 N ATOM 962 CA ARG A 57 -10.928 -1.775 0.425 1.00 0.00 C ATOM 963 C ARG A 57 -9.754 -0.966 0.981 1.00 0.00 C ATOM 964 O ARG A 57 -9.896 -0.326 2.023 1.00 0.00 O ATOM 965 CB ARG A 57 -12.023 -0.880 -0.136 1.00 0.00 C ATOM 966 CG ARG A 57 -11.558 0.125 -1.179 1.00 0.00 C ATOM 967 CD ARG A 57 -12.643 0.966 -1.745 1.00 0.00 C ATOM 968 NE ARG A 57 -13.623 0.237 -2.533 1.00 0.00 N ATOM 969 CZ ARG A 57 -14.788 0.751 -2.973 1.00 0.00 C ATOM 970 NH1 ARG A 57 -15.140 1.982 -2.674 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.580 -0.024 -3.692 1.00 0.00 N ATOM 0 H ARG A 57 -11.769 -2.210 2.305 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.598 -2.371 -0.426 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.795 -1.509 -0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.487 -0.338 0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.807 0.775 -0.730 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.070 -0.412 -1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.157 1.472 -0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.197 1.740 -2.369 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.414 -0.733 -2.770 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.528 2.563 -2.101 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.025 2.356 -3.015 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.303 -0.983 -3.900 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.469 0.337 -4.039 1.00 0.00 H new ATOM 985 N ILE A 58 -8.612 -1.024 0.300 1.00 0.00 N ATOM 986 CA ILE A 58 -7.364 -0.380 0.729 1.00 0.00 C ATOM 987 C ILE A 58 -6.945 0.626 -0.358 1.00 0.00 C ATOM 988 O ILE A 58 -6.770 0.259 -1.520 1.00 0.00 O ATOM 989 CB ILE A 58 -6.233 -1.398 0.967 1.00 0.00 C ATOM 990 CG1 ILE A 58 -6.634 -2.397 2.054 1.00 0.00 C ATOM 991 CG2 ILE A 58 -4.945 -0.681 1.346 1.00 0.00 C ATOM 992 CD1 ILE A 58 -5.682 -3.563 2.193 1.00 0.00 C ATOM 0 H ILE A 58 -8.522 -1.528 -0.582 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.541 0.123 1.680 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.060 -1.948 0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.696 -1.875 3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.631 -2.778 1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.155 -1.414 1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.653 -0.008 0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.103 -0.107 2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.033 -4.227 2.983 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.637 -4.111 1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.688 -3.193 2.445 1.00 0.00 H new ATOM 1004 N SER A 59 -6.818 1.892 0.022 1.00 0.00 N ATOM 1005 CA SER A 59 -6.311 2.946 -0.852 1.00 0.00 C ATOM 1006 C SER A 59 -4.951 3.404 -0.297 1.00 0.00 C ATOM 1007 O SER A 59 -4.823 3.687 0.894 1.00 0.00 O ATOM 1008 CB SER A 59 -7.292 4.100 -0.935 1.00 0.00 C ATOM 1009 OG SER A 59 -8.458 3.750 -1.629 1.00 0.00 O ATOM 0 H SER A 59 -7.066 2.220 0.955 1.00 0.00 H new ATOM 0 HA SER A 59 -6.188 2.568 -1.867 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.554 4.426 0.072 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.815 4.946 -1.431 1.00 0.00 H new ATOM 0 HG SER A 59 -9.064 4.519 -1.659 1.00 0.00 H new ATOM 1015 N ILE A 60 -3.931 3.420 -1.169 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.554 3.789 -0.807 1.00 0.00 C ATOM 1017 C ILE A 60 -2.114 5.017 -1.612 1.00 0.00 C ATOM 1018 O ILE A 60 -2.196 5.017 -2.841 1.00 0.00 O ATOM 1019 CB ILE A 60 -1.565 2.634 -1.053 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -1.900 1.443 -0.151 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.136 3.098 -0.818 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -1.048 0.221 -0.412 1.00 0.00 C ATOM 0 H ILE A 60 -4.040 3.175 -2.153 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.546 4.017 0.259 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.656 2.315 -2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.780 1.743 0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.949 1.179 -0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.550 2.270 -0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.098 3.916 -1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.030 3.442 0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.344 -0.580 0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.186 -0.105 -1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.001 0.467 -0.247 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.667 6.071 -0.917 1.00 0.00 N ATOM 1035 CA ARG A 61 -1.133 7.279 -1.556 1.00 0.00 C ATOM 1036 C ARG A 61 0.362 7.395 -1.253 1.00 0.00 C ATOM 1037 O ARG A 61 0.765 7.297 -0.085 1.00 0.00 O ATOM 1038 CB ARG A 61 -1.891 8.538 -1.161 1.00 0.00 C ATOM 1039 CG ARG A 61 -1.458 9.800 -1.891 1.00 0.00 C ATOM 1040 CD ARG A 61 -2.240 11.012 -1.535 1.00 0.00 C ATOM 1041 NE ARG A 61 -1.873 12.206 -2.279 1.00 0.00 N ATOM 1042 CZ ARG A 61 -2.395 13.430 -2.069 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -3.333 13.620 -1.167 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -1.958 14.432 -2.811 1.00 0.00 N ATOM 0 H ARG A 61 -1.666 6.110 0.102 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.272 7.183 -2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.954 8.377 -1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.771 8.696 -0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.405 9.986 -1.678 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.541 9.631 -2.965 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.298 10.808 -1.699 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.115 11.210 -0.470 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.170 12.110 -3.012 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.676 12.834 -0.614 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.718 14.553 -1.020 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.244 14.268 -3.520 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.335 15.370 -2.675 1.00 0.00 H new ATOM 1058 N VAL A 62 1.174 7.584 -2.307 1.00 0.00 N ATOM 1059 CA VAL A 62 2.637 7.561 -2.210 1.00 0.00 C ATOM 1060 C VAL A 62 3.124 9.026 -2.372 1.00 0.00 C ATOM 1061 O VAL A 62 2.574 9.800 -3.173 1.00 0.00 O ATOM 1062 CB VAL A 62 3.283 6.659 -3.278 1.00 0.00 C ATOM 1063 CG1 VAL A 62 3.071 7.243 -4.668 1.00 0.00 C ATOM 1064 CG2 VAL A 62 4.768 6.482 -2.998 1.00 0.00 C ATOM 0 H VAL A 62 0.830 7.757 -3.251 1.00 0.00 H new ATOM 0 HA VAL A 62 2.932 7.144 -1.247 1.00 0.00 H new ATOM 0 HB VAL A 62 2.804 5.681 -3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.534 6.593 -5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.003 7.322 -4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.524 8.233 -4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.209 5.842 -3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.259 7.455 -3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.901 6.022 -2.019 1.00 0.00 H new ATOM 1074 N LYS A 63 4.090 9.448 -1.550 1.00 0.00 N ATOM 1075 CA LYS A 63 4.622 10.817 -1.594 1.00 0.00 C ATOM 1076 C LYS A 63 5.914 10.820 -2.410 1.00 0.00 C ATOM 1077 O LYS A 63 6.810 9.992 -2.188 1.00 0.00 O ATOM 1078 CB LYS A 63 4.872 11.360 -0.186 1.00 0.00 C ATOM 1079 CG LYS A 63 5.323 12.814 -0.145 1.00 0.00 C ATOM 1080 CD LYS A 63 5.589 13.270 1.283 1.00 0.00 C ATOM 1081 CE LYS A 63 6.058 14.716 1.324 1.00 0.00 C ATOM 1082 NZ LYS A 63 6.300 15.184 2.716 1.00 0.00 N ATOM 0 H LYS A 63 4.523 8.857 -0.840 1.00 0.00 H new ATOM 0 HA LYS A 63 3.888 11.469 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.957 11.259 0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.629 10.743 0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.227 12.934 -0.742 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.558 13.447 -0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.681 13.163 1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.344 12.628 1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.975 14.816 0.743 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.310 15.353 0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.618 16.174 2.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.419 15.113 3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.032 14.593 3.159 1.00 0.00 H new ATOM 1096 N HIS A 64 5.970 11.731 -3.378 1.00 0.00 N ATOM 1097 CA HIS A 64 7.164 12.028 -4.163 1.00 0.00 C ATOM 1098 C HIS A 64 7.605 13.465 -3.856 1.00 0.00 C ATOM 1099 O HIS A 64 6.799 14.403 -3.917 1.00 0.00 O ATOM 1100 CB HIS A 64 6.904 11.847 -5.662 1.00 0.00 C ATOM 1101 CG HIS A 64 6.480 10.461 -6.037 1.00 0.00 C ATOM 1102 ND1 HIS A 64 7.380 9.431 -6.213 1.00 0.00 N ATOM 1103 CD2 HIS A 64 5.255 9.936 -6.269 1.00 0.00 C ATOM 1104 CE1 HIS A 64 6.725 8.330 -6.537 1.00 0.00 C ATOM 1105 NE2 HIS A 64 5.435 8.610 -6.578 1.00 0.00 N ATOM 0 H HIS A 64 5.165 12.298 -3.645 1.00 0.00 H new ATOM 0 HA HIS A 64 7.957 11.332 -3.891 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.133 12.551 -5.975 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.810 12.101 -6.212 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.312 10.461 -6.220 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.169 7.366 -6.735 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.692 7.948 -6.803 1.00 0.00 H new ATOM 1113 N SER A 65 8.873 13.620 -3.453 1.00 0.00 N ATOM 1114 CA SER A 65 9.467 14.938 -3.163 1.00 0.00 C ATOM 1115 C SER A 65 9.745 15.703 -4.474 1.00 0.00 C ATOM 1116 O SER A 65 9.859 16.929 -4.479 1.00 0.00 O ATOM 1117 CB SER A 65 10.741 14.774 -2.359 1.00 0.00 C ATOM 1118 OG SER A 65 11.753 14.144 -3.096 1.00 0.00 O ATOM 0 H SER A 65 9.517 12.840 -3.318 1.00 0.00 H new ATOM 0 HA SER A 65 8.759 15.518 -2.572 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.089 15.753 -2.029 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.530 14.192 -1.462 1.00 0.00 H new ATOM 0 HG SER A 65 12.557 14.059 -2.542 1.00 0.00 H new ATOM 1124 N ASP A 66 9.849 14.947 -5.571 1.00 0.00 N ATOM 1125 CA ASP A 66 10.116 15.485 -6.923 1.00 0.00 C ATOM 1126 C ASP A 66 8.786 15.810 -7.641 1.00 0.00 C ATOM 1127 O ASP A 66 7.763 15.172 -7.371 1.00 0.00 O ATOM 1128 CB ASP A 66 10.938 14.494 -7.749 1.00 0.00 C ATOM 1129 CG ASP A 66 12.383 14.343 -7.292 1.00 0.00 C ATOM 1130 OD1 ASP A 66 12.817 15.132 -6.488 1.00 0.00 O ATOM 1131 OD2 ASP A 66 12.990 13.353 -7.628 1.00 0.00 O ATOM 0 H ASP A 66 9.750 13.932 -5.553 1.00 0.00 H new ATOM 0 HA ASP A 66 10.693 16.404 -6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.454 13.518 -7.711 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.930 14.814 -8.791 1.00 0.00 H new ATOM 1136 N ALA A 67 8.826 16.804 -8.557 1.00 0.00 N ATOM 1137 CA ALA A 67 7.653 17.268 -9.329 1.00 0.00 C ATOM 1138 C ALA A 67 7.622 16.682 -10.763 1.00 0.00 C ATOM 1139 O ALA A 67 6.569 16.205 -11.208 1.00 0.00 O ATOM 1140 CB ALA A 67 7.646 18.806 -9.366 1.00 0.00 C ATOM 0 H ALA A 67 9.682 17.311 -8.782 1.00 0.00 H new ATOM 0 HA ALA A 67 6.754 16.908 -8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.783 19.152 -9.934 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.590 19.194 -8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.560 19.163 -9.841 1.00 0.00 H new ATOM 1146 N ALA A 68 8.773 16.700 -11.467 1.00 0.00 N ATOM 1147 CA ALA A 68 8.886 16.171 -12.841 1.00 0.00 C ATOM 1148 C ALA A 68 8.923 14.627 -12.856 1.00 0.00 C ATOM 1149 O ALA A 68 8.084 13.981 -13.484 1.00 0.00 O ATOM 1150 CB ALA A 68 10.142 16.750 -13.517 1.00 0.00 C ATOM 0 H ALA A 68 9.646 17.080 -11.101 1.00 0.00 H new ATOM 0 HA ALA A 68 8.002 16.478 -13.399 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.223 16.358 -14.531 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.067 17.837 -13.553 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.026 16.466 -12.946 1.00 0.00 H new ATOM 1156 N GLU A 69 9.900 14.062 -12.135 1.00 0.00 N ATOM 1157 CA GLU A 69 10.200 12.617 -12.125 1.00 0.00 C ATOM 1158 C GLU A 69 9.086 11.788 -11.483 1.00 0.00 C ATOM 1159 O GLU A 69 8.953 10.622 -11.818 1.00 0.00 O ATOM 1160 CB GLU A 69 11.520 12.354 -11.396 1.00 0.00 C ATOM 1161 CG GLU A 69 12.757 12.820 -12.149 1.00 0.00 C ATOM 1162 CD GLU A 69 14.008 12.564 -11.356 1.00 0.00 C ATOM 1163 OE1 GLU A 69 13.900 12.099 -10.246 1.00 0.00 O ATOM 1164 OE2 GLU A 69 15.076 12.725 -11.899 1.00 0.00 O ATOM 0 H GLU A 69 10.518 14.603 -11.530 1.00 0.00 H new ATOM 0 HA GLU A 69 10.281 12.306 -13.167 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.491 12.851 -10.426 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.608 11.285 -11.203 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.819 12.303 -13.107 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.673 13.885 -12.367 1.00 0.00 H new ATOM 1171 N GLU A 70 8.294 12.396 -10.580 1.00 0.00 N ATOM 1172 CA GLU A 70 7.274 11.672 -9.785 1.00 0.00 C ATOM 1173 C GLU A 70 6.325 10.789 -10.628 1.00 0.00 C ATOM 1174 O GLU A 70 5.829 9.770 -10.139 1.00 0.00 O ATOM 1175 CB GLU A 70 6.447 12.673 -8.974 1.00 0.00 C ATOM 1176 CG GLU A 70 5.726 13.718 -9.813 1.00 0.00 C ATOM 1177 CD GLU A 70 4.332 13.273 -10.158 1.00 0.00 C ATOM 1178 OE1 GLU A 70 3.903 12.270 -9.640 1.00 0.00 O ATOM 1179 OE2 GLU A 70 3.654 13.995 -10.852 1.00 0.00 O ATOM 0 H GLU A 70 8.339 13.395 -10.379 1.00 0.00 H new ATOM 0 HA GLU A 70 7.825 10.996 -9.132 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.710 12.125 -8.386 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.104 13.181 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.685 14.661 -9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.288 13.904 -10.728 1.00 0.00 H new ATOM 1186 N LYS A 71 6.079 11.201 -11.886 1.00 0.00 N ATOM 1187 CA LYS A 71 5.226 10.456 -12.831 1.00 0.00 C ATOM 1188 C LYS A 71 5.845 9.076 -13.167 1.00 0.00 C ATOM 1189 O LYS A 71 5.170 8.046 -13.111 1.00 0.00 O ATOM 1190 CB LYS A 71 5.013 11.266 -14.112 1.00 0.00 C ATOM 1191 CG LYS A 71 4.142 12.503 -13.934 1.00 0.00 C ATOM 1192 CD LYS A 71 3.976 13.256 -15.247 1.00 0.00 C ATOM 1193 CE LYS A 71 3.138 14.512 -15.063 1.00 0.00 C ATOM 1194 NZ LYS A 71 2.992 15.274 -16.332 1.00 0.00 N ATOM 0 H LYS A 71 6.466 12.060 -12.276 1.00 0.00 H new ATOM 0 HA LYS A 71 4.260 10.290 -12.355 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.984 11.573 -14.500 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.559 10.621 -14.864 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.163 12.210 -13.554 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.589 13.161 -13.189 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.956 13.525 -15.641 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.504 12.606 -15.984 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.152 14.238 -14.689 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.600 15.149 -14.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.414 16.122 -16.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.931 15.558 -16.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.528 14.676 -17.045 1.00 0.00 H new ATOM 1208 N LYS A 72 7.148 9.079 -13.475 1.00 0.00 N ATOM 1209 CA LYS A 72 7.915 7.867 -13.792 1.00 0.00 C ATOM 1210 C LYS A 72 8.090 7.032 -12.522 1.00 0.00 C ATOM 1211 O LYS A 72 7.970 5.805 -12.561 1.00 0.00 O ATOM 1212 CB LYS A 72 9.277 8.219 -14.394 1.00 0.00 C ATOM 1213 CG LYS A 72 9.212 8.812 -15.795 1.00 0.00 C ATOM 1214 CD LYS A 72 10.602 9.133 -16.325 1.00 0.00 C ATOM 1215 CE LYS A 72 10.536 9.759 -17.710 1.00 0.00 C ATOM 1216 NZ LYS A 72 11.886 10.112 -18.226 1.00 0.00 N ATOM 0 H LYS A 72 7.706 9.932 -13.512 1.00 0.00 H new ATOM 0 HA LYS A 72 7.366 7.287 -14.534 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.779 8.928 -13.736 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.892 7.319 -14.422 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.718 8.110 -16.467 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.608 9.719 -15.781 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.106 9.814 -15.640 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.198 8.221 -16.364 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.054 9.065 -18.399 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.916 10.655 -17.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.796 10.536 -19.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.336 10.794 -17.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.470 9.254 -18.285 1.00 0.00 H new ATOM 1230 N GLU A 73 8.302 7.744 -11.391 1.00 0.00 N ATOM 1231 CA GLU A 73 8.487 7.129 -10.069 1.00 0.00 C ATOM 1232 C GLU A 73 7.197 6.488 -9.549 1.00 0.00 C ATOM 1233 O GLU A 73 7.267 5.502 -8.841 1.00 0.00 O ATOM 1234 CB GLU A 73 8.992 8.169 -9.066 1.00 0.00 C ATOM 1235 CG GLU A 73 10.425 8.625 -9.301 1.00 0.00 C ATOM 1236 CD GLU A 73 11.388 7.475 -9.198 1.00 0.00 C ATOM 1237 OE1 GLU A 73 11.343 6.773 -8.217 1.00 0.00 O ATOM 1238 OE2 GLU A 73 12.094 7.229 -10.148 1.00 0.00 O ATOM 0 H GLU A 73 8.349 8.763 -11.376 1.00 0.00 H new ATOM 0 HA GLU A 73 9.229 6.339 -10.180 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.336 9.039 -9.102 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.916 7.754 -8.061 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.506 9.083 -10.287 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.690 9.390 -8.571 1.00 0.00 H new ATOM 1245 N ALA A 74 6.038 7.065 -9.885 1.00 0.00 N ATOM 1246 CA ALA A 74 4.734 6.495 -9.526 1.00 0.00 C ATOM 1247 C ALA A 74 4.517 5.156 -10.242 1.00 0.00 C ATOM 1248 O ALA A 74 4.102 4.178 -9.627 1.00 0.00 O ATOM 1249 CB ALA A 74 3.631 7.483 -9.892 1.00 0.00 C ATOM 0 H ALA A 74 5.977 7.937 -10.411 1.00 0.00 H new ATOM 0 HA ALA A 74 4.707 6.311 -8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.662 7.061 -9.626 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.783 8.415 -9.348 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.659 7.679 -10.964 1.00 0.00 H new ATOM 1255 N LYS A 75 4.825 5.152 -11.550 1.00 0.00 N ATOM 1256 CA LYS A 75 4.809 3.942 -12.402 1.00 0.00 C ATOM 1257 C LYS A 75 5.798 2.874 -11.876 1.00 0.00 C ATOM 1258 O LYS A 75 5.514 1.673 -11.885 1.00 0.00 O ATOM 1259 CB LYS A 75 5.146 4.302 -13.850 1.00 0.00 C ATOM 1260 CG LYS A 75 4.060 5.091 -14.571 1.00 0.00 C ATOM 1261 CD LYS A 75 4.472 5.423 -15.997 1.00 0.00 C ATOM 1262 CE LYS A 75 3.397 6.230 -16.711 1.00 0.00 C ATOM 1263 NZ LYS A 75 3.800 6.589 -18.097 1.00 0.00 N ATOM 0 H LYS A 75 5.096 5.996 -12.055 1.00 0.00 H new ATOM 0 HA LYS A 75 3.804 3.523 -12.366 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.069 4.882 -13.862 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.340 3.384 -14.404 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.135 4.514 -14.582 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.854 6.012 -14.026 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.405 5.986 -15.986 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.662 4.501 -16.546 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.471 5.655 -16.740 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.191 7.139 -16.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.041 7.138 -18.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.669 7.159 -18.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.972 5.722 -18.644 1.00 0.00 H new ATOM 1277 N LYS A 76 6.943 3.364 -11.403 1.00 0.00 N ATOM 1278 CA LYS A 76 8.021 2.569 -10.790 1.00 0.00 C ATOM 1279 C LYS A 76 7.575 1.971 -9.437 1.00 0.00 C ATOM 1280 O LYS A 76 7.818 0.791 -9.155 1.00 0.00 O ATOM 1281 CB LYS A 76 9.275 3.425 -10.600 1.00 0.00 C ATOM 1282 CG LYS A 76 10.490 2.656 -10.096 1.00 0.00 C ATOM 1283 CD LYS A 76 11.691 3.574 -9.924 1.00 0.00 C ATOM 1284 CE LYS A 76 12.249 4.017 -11.268 1.00 0.00 C ATOM 1285 NZ LYS A 76 13.414 4.929 -11.115 1.00 0.00 N ATOM 0 H LYS A 76 7.159 4.360 -11.434 1.00 0.00 H new ATOM 0 HA LYS A 76 8.253 1.745 -11.465 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.526 3.896 -11.550 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.050 4.227 -9.897 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.253 2.181 -9.144 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.736 1.859 -10.798 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.401 4.449 -9.342 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.467 3.058 -9.359 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.548 3.141 -11.843 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.467 4.520 -11.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.877 5.058 -12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.089 5.850 -10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.091 4.517 -10.442 1.00 0.00 H new ATOM 1299 N PHE A 77 6.880 2.794 -8.637 1.00 0.00 N ATOM 1300 CA PHE A 77 6.292 2.375 -7.346 1.00 0.00 C ATOM 1301 C PHE A 77 5.089 1.441 -7.571 1.00 0.00 C ATOM 1302 O PHE A 77 4.809 0.578 -6.740 1.00 0.00 O ATOM 1303 CB PHE A 77 5.870 3.616 -6.511 1.00 0.00 C ATOM 1304 CG PHE A 77 5.669 3.344 -5.025 1.00 0.00 C ATOM 1305 CD1 PHE A 77 6.773 3.178 -4.188 1.00 0.00 C ATOM 1306 CD2 PHE A 77 4.393 3.254 -4.458 1.00 0.00 C ATOM 1307 CE1 PHE A 77 6.605 2.927 -2.842 1.00 0.00 C ATOM 1308 CE2 PHE A 77 4.231 3.006 -3.108 1.00 0.00 C ATOM 1309 CZ PHE A 77 5.336 2.845 -2.300 1.00 0.00 C ATOM 0 H PHE A 77 6.707 3.773 -8.864 1.00 0.00 H new ATOM 0 HA PHE A 77 7.050 1.825 -6.789 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.629 4.390 -6.626 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.943 4.016 -6.922 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.770 3.247 -4.598 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.522 3.380 -5.084 1.00 0.00 H new ATOM 0 HE1 PHE A 77 7.469 2.794 -2.208 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.239 2.938 -2.686 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.210 2.655 -1.244 1.00 0.00 H new ATOM 1319 N ALA A 78 4.374 1.646 -8.689 1.00 0.00 N ATOM 1320 CA ALA A 78 3.223 0.810 -9.060 1.00 0.00 C ATOM 1321 C ALA A 78 3.637 -0.661 -9.142 1.00 0.00 C ATOM 1322 O ALA A 78 2.922 -1.524 -8.648 1.00 0.00 O ATOM 1323 CB ALA A 78 2.609 1.276 -10.374 1.00 0.00 C ATOM 0 H ALA A 78 4.576 2.391 -9.356 1.00 0.00 H new ATOM 0 HA ALA A 78 2.463 0.911 -8.285 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.760 0.640 -10.625 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.272 2.308 -10.273 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.355 1.214 -11.166 1.00 0.00 H new ATOM 1329 N ALA A 79 4.825 -0.920 -9.727 1.00 0.00 N ATOM 1330 CA ALA A 79 5.418 -2.270 -9.799 1.00 0.00 C ATOM 1331 C ALA A 79 5.741 -2.816 -8.392 1.00 0.00 C ATOM 1332 O ALA A 79 5.554 -4.007 -8.116 1.00 0.00 O ATOM 1333 CB ALA A 79 6.676 -2.239 -10.674 1.00 0.00 C ATOM 0 H ALA A 79 5.399 -0.198 -10.163 1.00 0.00 H new ATOM 0 HA ALA A 79 4.690 -2.943 -10.251 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.109 -3.238 -10.724 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.413 -1.908 -11.678 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.402 -1.549 -10.243 1.00 0.00 H new ATOM 1339 N ILE A 80 6.219 -1.914 -7.514 1.00 0.00 N ATOM 1340 CA ILE A 80 6.603 -2.229 -6.130 1.00 0.00 C ATOM 1341 C ILE A 80 5.382 -2.756 -5.341 1.00 0.00 C ATOM 1342 O ILE A 80 5.444 -3.843 -4.757 1.00 0.00 O ATOM 1343 CB ILE A 80 7.188 -1.001 -5.408 1.00 0.00 C ATOM 1344 CG1 ILE A 80 8.488 -0.555 -6.082 1.00 0.00 C ATOM 1345 CG2 ILE A 80 7.427 -1.312 -3.939 1.00 0.00 C ATOM 1346 CD1 ILE A 80 9.550 -1.631 -6.135 1.00 0.00 C ATOM 0 H ILE A 80 6.350 -0.931 -7.753 1.00 0.00 H new ATOM 0 HA ILE A 80 7.373 -2.999 -6.173 1.00 0.00 H new ATOM 0 HB ILE A 80 6.468 -0.185 -5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.266 -0.227 -7.097 1.00 0.00 H new ATOM 0 HG13 ILE A 80 8.885 0.308 -5.548 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.841 -0.434 -3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.483 -1.584 -3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.129 -2.141 -3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.441 -1.239 -6.627 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.802 -1.943 -5.122 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.173 -2.487 -6.695 1.00 0.00 H new ATOM 1358 N LEU A 81 4.260 -2.006 -5.409 1.00 0.00 N ATOM 1359 CA LEU A 81 2.986 -2.377 -4.759 1.00 0.00 C ATOM 1360 C LEU A 81 2.360 -3.626 -5.414 1.00 0.00 C ATOM 1361 O LEU A 81 1.841 -4.481 -4.703 1.00 0.00 O ATOM 1362 CB LEU A 81 2.004 -1.200 -4.813 1.00 0.00 C ATOM 1363 CG LEU A 81 2.269 -0.080 -3.798 1.00 0.00 C ATOM 1364 CD1 LEU A 81 1.359 1.107 -4.081 1.00 0.00 C ATOM 1365 CD2 LEU A 81 2.046 -0.608 -2.389 1.00 0.00 C ATOM 0 H LEU A 81 4.214 -1.123 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 81 3.199 -2.619 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.029 -0.773 -5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.995 -1.582 -4.654 1.00 0.00 H new ATOM 0 HG LEU A 81 3.302 0.255 -3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.555 1.897 -3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.552 1.482 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.318 0.794 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.234 0.188 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.017 -0.953 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.727 -1.438 -2.199 1.00 0.00 H new ATOM 1377 N ASN A 82 2.467 -3.733 -6.757 1.00 0.00 N ATOM 1378 CA ASN A 82 1.976 -4.909 -7.521 1.00 0.00 C ATOM 1379 C ASN A 82 2.658 -6.205 -7.055 1.00 0.00 C ATOM 1380 O ASN A 82 2.001 -7.242 -6.956 1.00 0.00 O ATOM 1381 CB ASN A 82 2.175 -4.728 -9.014 1.00 0.00 C ATOM 1382 CG ASN A 82 1.188 -3.787 -9.647 1.00 0.00 C ATOM 1383 OD1 ASN A 82 0.126 -3.499 -9.083 1.00 0.00 O ATOM 1384 ND2 ASN A 82 1.495 -3.372 -10.849 1.00 0.00 N ATOM 0 H ASN A 82 2.893 -3.014 -7.342 1.00 0.00 H new ATOM 0 HA ASN A 82 0.907 -4.989 -7.324 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.184 -4.357 -9.194 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.101 -5.700 -9.502 1.00 0.00 H new ATOM 0 HD21 ASN A 82 0.844 -2.781 -11.366 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.385 -3.639 -11.269 1.00 0.00 H new ATOM 1391 N LYS A 83 3.969 -6.132 -6.761 1.00 0.00 N ATOM 1392 CA LYS A 83 4.730 -7.282 -6.232 1.00 0.00 C ATOM 1393 C LYS A 83 4.368 -7.580 -4.756 1.00 0.00 C ATOM 1394 O LYS A 83 4.277 -8.741 -4.368 1.00 0.00 O ATOM 1395 CB LYS A 83 6.232 -7.027 -6.361 1.00 0.00 C ATOM 1396 CG LYS A 83 6.750 -7.031 -7.794 1.00 0.00 C ATOM 1397 CD LYS A 83 8.249 -6.780 -7.841 1.00 0.00 C ATOM 1398 CE LYS A 83 8.761 -6.748 -9.274 1.00 0.00 C ATOM 1399 NZ LYS A 83 10.226 -6.493 -9.336 1.00 0.00 N ATOM 0 H LYS A 83 4.526 -5.286 -6.881 1.00 0.00 H new ATOM 0 HA LYS A 83 4.459 -8.156 -6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.465 -6.064 -5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.767 -7.787 -5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.525 -7.990 -8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.233 -6.265 -8.372 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.477 -5.834 -7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.768 -7.561 -7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.537 -7.697 -9.760 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.234 -5.973 -9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.534 -6.479 -10.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.438 -5.575 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.731 -7.246 -8.827 1.00 0.00 H new ATOM 1413 N VAL A 84 4.127 -6.517 -3.962 1.00 0.00 N ATOM 1414 CA VAL A 84 3.745 -6.633 -2.536 1.00 0.00 C ATOM 1415 C VAL A 84 2.362 -7.302 -2.409 1.00 0.00 C ATOM 1416 O VAL A 84 2.200 -8.282 -1.672 1.00 0.00 O ATOM 1417 CB VAL A 84 3.712 -5.260 -1.836 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.002 -5.363 -0.495 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.122 -4.722 -1.651 1.00 0.00 C ATOM 0 H VAL A 84 4.191 -5.553 -4.289 1.00 0.00 H new ATOM 0 HA VAL A 84 4.502 -7.246 -2.047 1.00 0.00 H new ATOM 0 HB VAL A 84 3.158 -4.565 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.988 -4.385 -0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.979 -5.706 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.530 -6.073 0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.079 -3.752 -1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.699 -5.416 -1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.600 -4.611 -2.624 1.00 0.00 H new ATOM 1429 N PHE A 85 1.396 -6.762 -3.178 1.00 0.00 N ATOM 1430 CA PHE A 85 -0.007 -7.202 -3.172 1.00 0.00 C ATOM 1431 C PHE A 85 -0.135 -8.666 -3.645 1.00 0.00 C ATOM 1432 O PHE A 85 -0.911 -9.440 -3.067 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.878 -6.247 -4.049 1.00 0.00 C ATOM 1434 CG PHE A 85 -1.333 -4.973 -3.321 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -2.095 -5.048 -2.150 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -1.014 -3.705 -3.808 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -2.513 -3.901 -1.501 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -1.432 -2.561 -3.157 1.00 0.00 C ATOM 1439 CZ PHE A 85 -2.178 -2.659 -2.004 1.00 0.00 C ATOM 0 H PHE A 85 1.574 -5.997 -3.829 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.376 -7.158 -2.147 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.309 -5.964 -4.935 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.758 -6.789 -4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.360 -6.015 -1.748 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.429 -3.616 -4.711 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -3.102 -3.976 -0.599 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.174 -1.590 -3.552 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.501 -1.764 -1.493 1.00 0.00 H new ATOM 1449 N ALA A 86 0.688 -9.035 -4.646 1.00 0.00 N ATOM 1450 CA ALA A 86 0.764 -10.408 -5.183 1.00 0.00 C ATOM 1451 C ALA A 86 1.285 -11.416 -4.142 1.00 0.00 C ATOM 1452 O ALA A 86 0.919 -12.596 -4.176 1.00 0.00 O ATOM 1453 CB ALA A 86 1.662 -10.435 -6.426 1.00 0.00 C ATOM 0 H ALA A 86 1.323 -8.384 -5.108 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.250 -10.708 -5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.713 -11.452 -6.816 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.249 -9.774 -7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.664 -10.098 -6.159 1.00 0.00 H new ATOM 1459 N GLU A 87 2.136 -10.940 -3.218 1.00 0.00 N ATOM 1460 CA GLU A 87 2.706 -11.766 -2.139 1.00 0.00 C ATOM 1461 C GLU A 87 1.764 -11.885 -0.928 1.00 0.00 C ATOM 1462 O GLU A 87 1.934 -12.791 -0.110 1.00 0.00 O ATOM 1463 CB GLU A 87 4.054 -11.194 -1.691 1.00 0.00 C ATOM 1464 CG GLU A 87 5.178 -11.371 -2.702 1.00 0.00 C ATOM 1465 CD GLU A 87 6.457 -10.753 -2.209 1.00 0.00 C ATOM 1466 OE1 GLU A 87 6.893 -11.110 -1.140 1.00 0.00 O ATOM 1467 OE2 GLU A 87 7.058 -10.010 -2.949 1.00 0.00 O ATOM 0 H GLU A 87 2.449 -9.969 -3.198 1.00 0.00 H new ATOM 0 HA GLU A 87 2.845 -12.768 -2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.933 -10.131 -1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.345 -11.671 -0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.334 -12.433 -2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.893 -10.915 -3.650 1.00 0.00 H new ATOM 1474 N LEU A 88 0.757 -11.002 -0.823 1.00 0.00 N ATOM 1475 CA LEU A 88 -0.113 -10.925 0.382 1.00 0.00 C ATOM 1476 C LEU A 88 -1.502 -11.556 0.147 1.00 0.00 C ATOM 1477 O LEU A 88 -2.261 -11.742 1.105 1.00 0.00 O ATOM 1478 CB LEU A 88 -0.272 -9.465 0.823 1.00 0.00 C ATOM 1479 CG LEU A 88 1.017 -8.783 1.299 1.00 0.00 C ATOM 1480 CD1 LEU A 88 0.752 -7.314 1.595 1.00 0.00 C ATOM 1481 CD2 LEU A 88 1.543 -9.497 2.536 1.00 0.00 C ATOM 0 H LEU A 88 0.519 -10.329 -1.552 1.00 0.00 H new ATOM 0 HA LEU A 88 0.376 -11.499 1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.681 -8.893 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.005 -9.423 1.628 1.00 0.00 H new ATOM 0 HG LEU A 88 1.771 -8.841 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.673 -6.839 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.398 -6.819 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.005 -7.231 2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.459 -9.012 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.795 -9.452 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.752 -10.539 2.293 1.00 0.00 H new ATOM 1493 N GLY A 89 -1.832 -11.881 -1.114 1.00 0.00 N ATOM 1494 CA GLY A 89 -3.115 -12.534 -1.448 1.00 0.00 C ATOM 1495 C GLY A 89 -4.080 -11.640 -2.216 1.00 0.00 C ATOM 1496 O GLY A 89 -5.285 -11.921 -2.261 1.00 0.00 O ATOM 0 H GLY A 89 -1.232 -11.704 -1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.914 -13.427 -2.039 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.595 -12.863 -0.526 1.00 0.00 H new ATOM 1500 N TYR A 90 -3.559 -10.557 -2.806 1.00 0.00 N ATOM 1501 CA TYR A 90 -4.355 -9.582 -3.576 1.00 0.00 C ATOM 1502 C TYR A 90 -4.096 -9.808 -5.078 1.00 0.00 C ATOM 1503 O TYR A 90 -2.964 -10.098 -5.473 1.00 0.00 O ATOM 1504 CB TYR A 90 -4.005 -8.145 -3.181 1.00 0.00 C ATOM 1505 CG TYR A 90 -4.493 -7.754 -1.803 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -5.763 -7.229 -1.620 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -3.680 -7.909 -0.689 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -6.213 -6.869 -0.364 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -4.120 -7.553 0.572 1.00 0.00 C ATOM 1510 CZ TYR A 90 -5.388 -7.033 0.730 1.00 0.00 C ATOM 1511 OH TYR A 90 -5.832 -6.675 1.982 1.00 0.00 O ATOM 0 H TYR A 90 -2.566 -10.327 -2.764 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.412 -9.730 -3.356 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.923 -8.020 -3.222 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.433 -7.462 -3.915 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.412 -7.099 -2.474 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.686 -8.315 -0.809 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -7.205 -6.461 -0.239 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.475 -7.681 1.429 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.071 -6.625 2.597 1.00 0.00 H new ATOM 1521 N ASN A 91 -5.142 -9.692 -5.895 1.00 0.00 N ATOM 1522 CA ASN A 91 -5.006 -9.810 -7.359 1.00 0.00 C ATOM 1523 C ASN A 91 -4.697 -8.433 -7.963 1.00 0.00 C ATOM 1524 O ASN A 91 -5.044 -7.394 -7.381 1.00 0.00 O ATOM 1525 CB ASN A 91 -6.247 -10.405 -7.998 1.00 0.00 C ATOM 1526 CG ASN A 91 -6.464 -11.855 -7.663 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -5.517 -12.596 -7.376 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -7.695 -12.283 -7.777 1.00 0.00 N ATOM 0 H ASN A 91 -6.095 -9.517 -5.575 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.181 -10.491 -7.566 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -7.119 -9.833 -7.679 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.174 -10.298 -9.080 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -7.908 -13.269 -7.627 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.442 -11.631 -8.016 1.00 0.00 H new ATOM 1535 N ASP A 92 -4.097 -8.429 -9.167 1.00 0.00 N ATOM 1536 CA ASP A 92 -3.708 -7.190 -9.874 1.00 0.00 C ATOM 1537 C ASP A 92 -4.870 -6.710 -10.782 1.00 0.00 C ATOM 1538 O ASP A 92 -4.681 -5.910 -11.706 1.00 0.00 O ATOM 1539 CB ASP A 92 -2.440 -7.414 -10.702 1.00 0.00 C ATOM 1540 CG ASP A 92 -2.593 -8.431 -11.826 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -3.652 -8.999 -11.945 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -1.710 -8.517 -12.646 1.00 0.00 O ATOM 0 H ASP A 92 -3.868 -9.281 -9.678 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.498 -6.419 -9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -2.128 -6.462 -11.130 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.640 -7.742 -10.038 1.00 0.00 H new ATOM 1547 N SER A 93 -6.083 -7.175 -10.441 1.00 0.00 N ATOM 1548 CA SER A 93 -7.310 -6.968 -11.211 1.00 0.00 C ATOM 1549 C SER A 93 -8.117 -5.856 -10.534 1.00 0.00 C ATOM 1550 O SER A 93 -8.704 -5.000 -11.198 1.00 0.00 O ATOM 1551 CB SER A 93 -8.116 -8.250 -11.303 1.00 0.00 C ATOM 1552 OG SER A 93 -7.403 -9.276 -11.936 1.00 0.00 O ATOM 0 H SER A 93 -6.236 -7.722 -9.594 1.00 0.00 H new ATOM 0 HA SER A 93 -7.063 -6.675 -12.231 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.401 -8.572 -10.301 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.039 -8.059 -11.851 1.00 0.00 H new ATOM 0 HG SER A 93 -7.956 -10.084 -11.973 1.00 0.00 H new ATOM 1558 N ASN A 94 -8.101 -5.877 -9.188 1.00 0.00 N ATOM 1559 CA ASN A 94 -8.806 -4.900 -8.343 1.00 0.00 C ATOM 1560 C ASN A 94 -7.936 -3.661 -8.096 1.00 0.00 C ATOM 1561 O ASN A 94 -8.317 -2.775 -7.335 1.00 0.00 O ATOM 1562 CB ASN A 94 -9.236 -5.511 -7.023 1.00 0.00 C ATOM 1563 CG ASN A 94 -10.328 -6.537 -7.158 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -11.084 -6.543 -8.137 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -10.468 -7.350 -6.143 1.00 0.00 N ATOM 0 H ASN A 94 -7.592 -6.581 -8.653 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.704 -4.595 -8.881 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.371 -5.974 -6.549 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.576 -4.717 -6.359 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.228 -8.030 -6.135 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.817 -7.304 -5.359 1.00 0.00 H new ATOM 1572 N VAL A 95 -6.763 -3.597 -8.751 1.00 0.00 N ATOM 1573 CA VAL A 95 -5.786 -2.527 -8.551 1.00 0.00 C ATOM 1574 C VAL A 95 -6.025 -1.431 -9.615 1.00 0.00 C ATOM 1575 O VAL A 95 -5.869 -1.673 -10.814 1.00 0.00 O ATOM 1576 CB VAL A 95 -4.338 -3.042 -8.643 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -3.353 -1.905 -8.417 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -4.104 -4.158 -7.637 1.00 0.00 C ATOM 0 H VAL A 95 -6.470 -4.293 -9.437 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.920 -2.122 -7.548 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.178 -3.442 -9.644 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.334 -2.287 -8.486 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.504 -1.137 -9.175 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.514 -1.476 -7.428 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.075 -4.510 -7.716 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.282 -3.783 -6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.786 -4.983 -7.843 1.00 0.00 H new ATOM 1588 N THR A 96 -6.433 -0.230 -9.155 1.00 0.00 N ATOM 1589 CA THR A 96 -6.691 0.934 -10.025 1.00 0.00 C ATOM 1590 C THR A 96 -5.910 2.146 -9.509 1.00 0.00 C ATOM 1591 O THR A 96 -6.063 2.542 -8.349 1.00 0.00 O ATOM 1592 CB THR A 96 -8.189 1.285 -10.095 1.00 0.00 C ATOM 1593 OG1 THR A 96 -8.921 0.163 -10.605 1.00 0.00 O ATOM 1594 CG2 THR A 96 -8.414 2.486 -10.999 1.00 0.00 C ATOM 0 H THR A 96 -6.593 -0.041 -8.166 1.00 0.00 H new ATOM 0 HA THR A 96 -6.363 0.671 -11.030 1.00 0.00 H new ATOM 0 HB THR A 96 -8.537 1.529 -9.091 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.874 0.386 -10.648 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.478 2.719 -11.036 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.868 3.344 -10.607 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.057 2.257 -12.003 1.00 0.00 H new ATOM 1602 N TRP A 97 -5.048 2.699 -10.371 1.00 0.00 N ATOM 1603 CA TRP A 97 -4.280 3.906 -10.076 1.00 0.00 C ATOM 1604 C TRP A 97 -5.034 5.155 -10.561 1.00 0.00 C ATOM 1605 O TRP A 97 -5.518 5.210 -11.697 1.00 0.00 O ATOM 1606 CB TRP A 97 -2.876 3.852 -10.727 1.00 0.00 C ATOM 1607 CG TRP A 97 -1.849 3.086 -9.926 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -1.515 1.762 -10.041 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -1.026 3.617 -8.879 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -0.533 1.448 -9.135 1.00 0.00 N ATOM 1611 CE2 TRP A 97 -0.217 2.573 -8.411 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -0.892 4.888 -8.302 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 0.720 2.758 -7.398 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 0.022 5.064 -7.285 1.00 0.00 C ATOM 1615 CH2 TRP A 97 0.823 4.003 -6.843 1.00 0.00 C ATOM 0 H TRP A 97 -4.865 2.316 -11.298 1.00 0.00 H new ATOM 0 HA TRP A 97 -4.154 3.962 -8.995 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -2.963 3.397 -11.714 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -2.518 4.871 -10.876 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -1.958 1.069 -10.740 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.107 0.529 -9.018 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.494 5.715 -8.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.345 1.944 -7.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.122 6.035 -6.822 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.535 4.172 -6.049 1.00 0.00 H new ATOM 1626 N ASP A 98 -5.137 6.129 -9.674 1.00 0.00 N ATOM 1627 CA ASP A 98 -5.624 7.474 -9.968 1.00 0.00 C ATOM 1628 C ASP A 98 -4.535 8.420 -9.469 1.00 0.00 C ATOM 1629 O ASP A 98 -4.471 8.696 -8.268 1.00 0.00 O ATOM 1630 CB ASP A 98 -6.970 7.759 -9.297 1.00 0.00 C ATOM 1631 CG ASP A 98 -7.560 9.124 -9.625 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -6.912 9.881 -10.308 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -8.711 9.339 -9.327 1.00 0.00 O ATOM 0 H ASP A 98 -4.876 6.006 -8.696 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.809 7.601 -11.035 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.681 6.988 -9.595 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.848 7.680 -8.217 1.00 0.00 H new ATOM 1638 N GLY A 99 -3.630 8.821 -10.377 1.00 0.00 N ATOM 1639 CA GLY A 99 -2.521 9.709 -10.037 1.00 0.00 C ATOM 1640 C GLY A 99 -1.530 9.049 -9.075 1.00 0.00 C ATOM 1641 O GLY A 99 -1.047 7.947 -9.347 1.00 0.00 O ATOM 0 H GLY A 99 -3.651 8.538 -11.357 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.000 10.003 -10.948 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.912 10.620 -9.585 1.00 0.00 H new ATOM 1645 N ASP A 100 -1.281 9.695 -7.924 1.00 0.00 N ATOM 1646 CA ASP A 100 -0.342 9.201 -6.886 1.00 0.00 C ATOM 1647 C ASP A 100 -1.051 8.262 -5.886 1.00 0.00 C ATOM 1648 O ASP A 100 -0.455 7.856 -4.886 1.00 0.00 O ATOM 1649 CB ASP A 100 0.298 10.373 -6.138 1.00 0.00 C ATOM 1650 CG ASP A 100 -0.681 11.211 -5.328 1.00 0.00 C ATOM 1651 OD1 ASP A 100 -1.844 10.882 -5.311 1.00 0.00 O ATOM 1652 OD2 ASP A 100 -0.238 12.075 -4.609 1.00 0.00 O ATOM 0 H ASP A 100 -1.725 10.580 -7.680 1.00 0.00 H new ATOM 0 HA ASP A 100 0.438 8.633 -7.392 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.066 9.985 -5.469 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.800 11.018 -6.859 1.00 0.00 H new ATOM 1657 N THR A 101 -2.324 7.923 -6.156 1.00 0.00 N ATOM 1658 CA THR A 101 -3.171 7.157 -5.236 1.00 0.00 C ATOM 1659 C THR A 101 -3.724 5.909 -5.936 1.00 0.00 C ATOM 1660 O THR A 101 -4.292 6.015 -7.017 1.00 0.00 O ATOM 1661 CB THR A 101 -4.341 8.003 -4.702 1.00 0.00 C ATOM 1662 OG1 THR A 101 -3.829 9.166 -4.037 1.00 0.00 O ATOM 1663 CG2 THR A 101 -5.181 7.194 -3.726 1.00 0.00 C ATOM 0 H THR A 101 -2.793 8.176 -7.025 1.00 0.00 H new ATOM 0 HA THR A 101 -2.549 6.861 -4.392 1.00 0.00 H new ATOM 0 HB THR A 101 -4.967 8.303 -5.543 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.275 9.682 -4.660 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.004 7.808 -3.358 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.582 6.316 -4.232 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.561 6.878 -2.887 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.578 4.738 -5.304 1.00 0.00 N ATOM 1672 CA VAL A 102 -4.075 3.468 -5.851 1.00 0.00 C ATOM 1673 C VAL A 102 -5.170 2.900 -4.902 1.00 0.00 C ATOM 1674 O VAL A 102 -5.032 2.966 -3.677 1.00 0.00 O ATOM 1675 CB VAL A 102 -2.944 2.437 -6.025 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -2.324 2.094 -4.679 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -3.469 1.180 -6.703 1.00 0.00 C ATOM 0 H VAL A 102 -3.113 4.643 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.494 3.661 -6.838 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.173 2.876 -6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.527 1.364 -4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.913 2.997 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -3.087 1.675 -4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.657 0.462 -6.818 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.258 0.740 -6.093 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.869 1.436 -7.684 1.00 0.00 H new ATOM 1687 N THR A 103 -6.277 2.400 -5.480 1.00 0.00 N ATOM 1688 CA THR A 103 -7.350 1.723 -4.732 1.00 0.00 C ATOM 1689 C THR A 103 -7.357 0.228 -5.100 1.00 0.00 C ATOM 1690 O THR A 103 -7.422 -0.123 -6.282 1.00 0.00 O ATOM 1691 CB THR A 103 -8.733 2.333 -5.025 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.762 3.695 -4.580 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.825 1.548 -4.314 1.00 0.00 C ATOM 0 H THR A 103 -6.452 2.455 -6.483 1.00 0.00 H new ATOM 0 HA THR A 103 -7.152 1.854 -3.668 1.00 0.00 H new ATOM 0 HB THR A 103 -8.911 2.291 -6.100 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.664 3.723 -3.605 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.795 1.994 -4.533 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.814 0.514 -4.660 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.649 1.572 -3.239 1.00 0.00 H new ATOM 1701 N VAL A 104 -7.238 -0.628 -4.074 1.00 0.00 N ATOM 1702 CA VAL A 104 -7.073 -2.085 -4.197 1.00 0.00 C ATOM 1703 C VAL A 104 -8.090 -2.761 -3.267 1.00 0.00 C ATOM 1704 O VAL A 104 -8.179 -2.414 -2.097 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.648 -2.546 -3.838 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.523 -4.055 -3.989 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.623 -1.839 -4.711 1.00 0.00 C ATOM 0 H VAL A 104 -7.254 -0.315 -3.103 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.243 -2.367 -5.236 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.454 -2.285 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.510 -4.364 -3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.233 -4.547 -3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.737 -4.336 -5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.622 -2.177 -4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.816 -2.070 -5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.695 -0.762 -4.558 1.00 0.00 H new ATOM 1717 N GLU A 105 -8.872 -3.698 -3.798 1.00 0.00 N ATOM 1718 CA GLU A 105 -9.880 -4.448 -3.022 1.00 0.00 C ATOM 1719 C GLU A 105 -9.476 -5.920 -2.963 1.00 0.00 C ATOM 1720 O GLU A 105 -8.899 -6.463 -3.922 1.00 0.00 O ATOM 1721 CB GLU A 105 -11.274 -4.302 -3.634 1.00 0.00 C ATOM 1722 CG GLU A 105 -11.792 -2.870 -3.685 1.00 0.00 C ATOM 1723 CD GLU A 105 -13.179 -2.811 -4.261 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -13.370 -3.292 -5.352 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -14.072 -2.387 -3.565 1.00 0.00 O ATOM 0 H GLU A 105 -8.831 -3.966 -4.781 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.920 -4.038 -2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.257 -4.706 -4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.975 -4.909 -3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.795 -2.446 -2.681 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.120 -2.259 -4.287 1.00 0.00 H new ATOM 1732 N GLY A 106 -9.762 -6.556 -1.828 1.00 0.00 N ATOM 1733 CA GLY A 106 -9.468 -7.965 -1.626 1.00 0.00 C ATOM 1734 C GLY A 106 -9.912 -8.418 -0.258 1.00 0.00 C ATOM 1735 O GLY A 106 -10.737 -7.756 0.370 1.00 0.00 O ATOM 0 H GLY A 106 -10.203 -6.106 -1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.970 -8.558 -2.390 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.398 -8.137 -1.741 1.00 0.00 H new ATOM 1739 N GLN A 107 -9.396 -9.559 0.206 1.00 0.00 N ATOM 1740 CA GLN A 107 -9.792 -10.154 1.491 1.00 0.00 C ATOM 1741 C GLN A 107 -8.580 -10.804 2.165 1.00 0.00 C ATOM 1742 O GLN A 107 -7.575 -11.110 1.513 1.00 0.00 O ATOM 1743 CB GLN A 107 -10.900 -11.192 1.295 1.00 0.00 C ATOM 1744 CG GLN A 107 -10.474 -12.413 0.497 1.00 0.00 C ATOM 1745 CD GLN A 107 -11.593 -13.425 0.347 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -12.677 -13.262 0.915 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -11.337 -14.481 -0.418 1.00 0.00 N ATOM 0 H GLN A 107 -8.691 -10.099 -0.297 1.00 0.00 H new ATOM 0 HA GLN A 107 -10.176 -9.359 2.131 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -11.256 -11.517 2.273 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -11.742 -10.718 0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.137 -12.099 -0.491 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.624 -12.886 0.988 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.427 -14.576 -0.869 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.051 -15.197 -0.554 1.00 0.00 H new