USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=19 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 13 THR OG1 : rot 180:sc= 0.62 USER MOD Set 1.2: A 18 THR OG1 : rot -71:sc= 0.688 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=-1) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0847 K(o=-0.085,f=-1.1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0.685 K(o=0.69,f=-1.5!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= 0.483 (180deg=0.421) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0712) USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0266) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0184 K(o=-0.018,f=-1.3!) USER MOD Single : A 45 MET CE :methyl 166:sc=-0.00119 (180deg=-0.177) 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 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -151:sc= 0.678 (180deg=0.258) USER MOD Single : A 64 HIS : no HD1:sc= -0.344 K(o=-0.34,f=-1.1) 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+ -176:sc= 0.855 (180deg=0.843) USER MOD Single : A 82 ASN : amide:sc=-0.00557 X(o=-0.0056,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0308 K(o=-0.031,f=-1) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 1.12 K(o=1.1,f=-7.5!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 58:sc= 0.704 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 13.541 8.100 0.419 1.00 0.00 N ATOM 61 CA LYS A 5 12.580 8.411 1.490 1.00 0.00 C ATOM 62 C LYS A 5 11.208 8.642 0.833 1.00 0.00 C ATOM 63 O LYS A 5 11.088 9.438 -0.106 1.00 0.00 O ATOM 64 CB LYS A 5 13.015 9.636 2.297 1.00 0.00 C ATOM 65 CG LYS A 5 12.164 9.915 3.528 1.00 0.00 C ATOM 66 CD LYS A 5 12.735 11.060 4.349 1.00 0.00 C ATOM 67 CE LYS A 5 12.099 12.388 3.966 1.00 0.00 C ATOM 68 NZ LYS A 5 12.687 13.526 4.723 1.00 0.00 N ATOM 0 HA LYS A 5 12.529 7.581 2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 5 14.050 9.501 2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.990 10.511 1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.146 10.157 3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.106 9.017 4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.569 10.868 5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.813 11.115 4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.229 12.558 2.897 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.026 12.344 4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.226 14.412 4.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.541 13.378 5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.706 13.585 4.525 1.00 0.00 H new ATOM 82 N VAL A 6 10.195 7.912 1.306 1.00 0.00 N ATOM 83 CA VAL A 6 8.799 8.040 0.842 1.00 0.00 C ATOM 84 C VAL A 6 7.859 8.047 2.060 1.00 0.00 C ATOM 85 O VAL A 6 8.103 7.359 3.054 1.00 0.00 O ATOM 86 CB VAL A 6 8.397 6.899 -0.110 1.00 0.00 C ATOM 87 CG1 VAL A 6 8.629 5.547 0.549 1.00 0.00 C ATOM 88 CG2 VAL A 6 6.941 7.042 -0.529 1.00 0.00 C ATOM 0 H VAL A 6 10.316 7.205 2.031 1.00 0.00 H new ATOM 0 HA VAL A 6 8.716 8.975 0.288 1.00 0.00 H new ATOM 0 HB VAL A 6 9.021 6.960 -1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.339 4.753 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.684 5.442 0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.030 5.477 1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.674 6.227 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.303 7.007 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.801 7.995 -1.040 1.00 0.00 H new ATOM 98 N GLU A 7 6.790 8.843 1.972 1.00 0.00 N ATOM 99 CA GLU A 7 5.685 8.840 2.938 1.00 0.00 C ATOM 100 C GLU A 7 4.456 8.212 2.255 1.00 0.00 C ATOM 101 O GLU A 7 4.073 8.603 1.145 1.00 0.00 O ATOM 102 CB GLU A 7 5.375 10.254 3.433 1.00 0.00 C ATOM 103 CG GLU A 7 6.430 10.842 4.360 1.00 0.00 C ATOM 104 CD GLU A 7 5.950 12.118 4.993 1.00 0.00 C ATOM 105 OE1 GLU A 7 5.662 13.045 4.274 1.00 0.00 O ATOM 106 OE2 GLU A 7 5.763 12.131 6.188 1.00 0.00 O ATOM 0 H GLU A 7 6.665 9.518 1.217 1.00 0.00 H new ATOM 0 HA GLU A 7 5.964 8.256 3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.260 10.911 2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.418 10.242 3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.678 10.119 5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.345 11.033 3.799 1.00 0.00 H new ATOM 113 N VAL A 8 3.861 7.229 2.939 1.00 0.00 N ATOM 114 CA VAL A 8 2.739 6.423 2.433 1.00 0.00 C ATOM 115 C VAL A 8 1.534 6.548 3.378 1.00 0.00 C ATOM 116 O VAL A 8 1.638 6.222 4.567 1.00 0.00 O ATOM 117 CB VAL A 8 3.122 4.938 2.284 1.00 0.00 C ATOM 118 CG1 VAL A 8 1.928 4.126 1.807 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.289 4.782 1.321 1.00 0.00 C ATOM 0 H VAL A 8 4.150 6.964 3.880 1.00 0.00 H new ATOM 0 HA VAL A 8 2.479 6.806 1.446 1.00 0.00 H new ATOM 0 HB VAL A 8 3.428 4.562 3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.216 3.080 1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.117 4.212 2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.594 4.504 0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.546 3.727 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.009 5.175 0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.150 5.333 1.700 1.00 0.00 H new ATOM 129 N GLN A 9 0.385 7.004 2.844 1.00 0.00 N ATOM 130 CA GLN A 9 -0.865 7.080 3.608 1.00 0.00 C ATOM 131 C GLN A 9 -1.689 5.838 3.276 1.00 0.00 C ATOM 132 O GLN A 9 -2.011 5.615 2.115 1.00 0.00 O ATOM 133 CB GLN A 9 -1.654 8.350 3.275 1.00 0.00 C ATOM 134 CG GLN A 9 -2.935 8.514 4.074 1.00 0.00 C ATOM 135 CD GLN A 9 -3.649 9.816 3.760 1.00 0.00 C ATOM 136 OE1 GLN A 9 -3.129 10.666 3.034 1.00 0.00 O ATOM 137 NE2 GLN A 9 -4.847 9.979 4.311 1.00 0.00 N ATOM 0 H GLN A 9 0.302 7.326 1.880 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.639 7.120 4.674 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.016 9.217 3.450 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.900 8.344 2.213 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.601 7.677 3.863 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.704 8.477 5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.239 9.248 4.905 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.375 10.835 4.139 1.00 0.00 H new ATOM 146 N VAL A 10 -2.004 5.016 4.279 1.00 0.00 N ATOM 147 CA VAL A 10 -2.807 3.808 4.067 1.00 0.00 C ATOM 148 C VAL A 10 -4.146 4.028 4.763 1.00 0.00 C ATOM 149 O VAL A 10 -4.186 4.368 5.947 1.00 0.00 O ATOM 150 CB VAL A 10 -2.129 2.540 4.617 1.00 0.00 C ATOM 151 CG1 VAL A 10 -3.014 1.322 4.393 1.00 0.00 C ATOM 152 CG2 VAL A 10 -0.770 2.336 3.964 1.00 0.00 C ATOM 0 H VAL A 10 -1.716 5.164 5.246 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.930 3.646 2.996 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.981 2.667 5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.519 0.435 4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.966 1.465 4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.192 1.193 3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.305 1.435 4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.896 2.231 2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.134 3.196 4.172 1.00 0.00 H new ATOM 162 N LYS A 11 -5.223 3.920 3.990 1.00 0.00 N ATOM 163 CA LYS A 11 -6.588 4.134 4.458 1.00 0.00 C ATOM 164 C LYS A 11 -7.397 2.881 4.128 1.00 0.00 C ATOM 165 O LYS A 11 -7.561 2.536 2.955 1.00 0.00 O ATOM 166 CB LYS A 11 -7.211 5.375 3.815 1.00 0.00 C ATOM 167 CG LYS A 11 -8.575 5.754 4.373 1.00 0.00 C ATOM 168 CD LYS A 11 -9.070 7.066 3.782 1.00 0.00 C ATOM 169 CE LYS A 11 -10.394 7.489 4.401 1.00 0.00 C ATOM 170 NZ LYS A 11 -10.855 8.806 3.884 1.00 0.00 N ATOM 0 H LYS A 11 -5.170 3.676 3.001 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.587 4.309 5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.532 6.217 3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.305 5.205 2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.292 4.962 4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.515 5.841 5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.325 7.845 3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.188 6.959 2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.150 6.732 4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.287 7.542 5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.760 9.057 4.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.146 9.534 4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.982 8.749 2.853 1.00 0.00 H new ATOM 184 N ILE A 12 -7.877 2.184 5.166 1.00 0.00 N ATOM 185 CA ILE A 12 -8.596 0.908 5.007 1.00 0.00 C ATOM 186 C ILE A 12 -9.943 0.949 5.752 1.00 0.00 C ATOM 187 O ILE A 12 -10.015 1.379 6.906 1.00 0.00 O ATOM 188 CB ILE A 12 -7.766 -0.282 5.522 1.00 0.00 C ATOM 189 CG1 ILE A 12 -8.501 -1.599 5.261 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.468 -0.120 7.006 1.00 0.00 C ATOM 191 CD1 ILE A 12 -7.629 -2.825 5.407 1.00 0.00 C ATOM 0 H ILE A 12 -7.780 2.485 6.136 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.772 0.770 3.940 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.819 -0.304 4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.341 -1.678 5.951 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.917 -1.579 4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.881 -0.970 7.354 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.906 0.800 7.166 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.404 -0.074 7.562 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.221 -3.718 5.207 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.803 -2.770 4.698 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.234 -2.872 6.422 1.00 0.00 H new ATOM 203 N THR A 13 -11.009 0.516 5.062 1.00 0.00 N ATOM 204 CA THR A 13 -12.362 0.482 5.597 1.00 0.00 C ATOM 205 C THR A 13 -12.829 -0.977 5.728 1.00 0.00 C ATOM 206 O THR A 13 -12.738 -1.763 4.772 1.00 0.00 O ATOM 207 CB THR A 13 -13.347 1.266 4.709 1.00 0.00 C ATOM 208 OG1 THR A 13 -12.943 2.639 4.639 1.00 0.00 O ATOM 209 CG2 THR A 13 -14.757 1.184 5.275 1.00 0.00 C ATOM 0 H THR A 13 -10.945 0.176 4.102 1.00 0.00 H new ATOM 0 HA THR A 13 -12.347 0.958 6.578 1.00 0.00 H new ATOM 0 HB THR A 13 -13.341 0.827 3.711 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.570 3.136 4.073 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.439 1.743 4.635 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.072 0.141 5.317 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.771 1.608 6.279 1.00 0.00 H new ATOM 217 N CYS A 14 -13.291 -1.330 6.936 1.00 0.00 N ATOM 218 CA CYS A 14 -13.893 -2.633 7.241 1.00 0.00 C ATOM 219 C CYS A 14 -14.942 -2.467 8.354 1.00 0.00 C ATOM 220 O CYS A 14 -14.707 -1.735 9.327 1.00 0.00 O ATOM 221 CB CYS A 14 -12.809 -3.639 7.655 1.00 0.00 C ATOM 222 SG CYS A 14 -13.432 -5.208 8.363 1.00 0.00 S ATOM 0 H CYS A 14 -13.255 -0.706 7.742 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.386 -3.020 6.349 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -12.198 -3.870 6.782 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.155 -3.164 8.386 1.00 0.00 H new ATOM 227 N ASN A 15 -16.115 -3.116 8.155 1.00 0.00 N ATOM 228 CA ASN A 15 -17.261 -3.106 9.099 1.00 0.00 C ATOM 229 C ASN A 15 -17.771 -1.662 9.338 1.00 0.00 C ATOM 230 O ASN A 15 -18.258 -1.313 10.423 1.00 0.00 O ATOM 231 CB ASN A 15 -16.901 -3.761 10.420 1.00 0.00 C ATOM 232 CG ASN A 15 -18.094 -4.204 11.221 1.00 0.00 C ATOM 233 OD1 ASN A 15 -19.148 -4.539 10.669 1.00 0.00 O ATOM 234 ND2 ASN A 15 -17.960 -4.131 12.520 1.00 0.00 N ATOM 0 H ASN A 15 -16.295 -3.672 7.319 1.00 0.00 H new ATOM 0 HA ASN A 15 -18.062 -3.687 8.641 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -16.264 -4.624 10.226 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.315 -3.060 11.015 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -18.748 -4.356 13.127 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -17.068 -3.849 12.926 1.00 0.00 H new ATOM 241 N GLY A 16 -17.668 -0.824 8.280 1.00 0.00 N ATOM 242 CA GLY A 16 -18.112 0.574 8.335 1.00 0.00 C ATOM 243 C GLY A 16 -17.150 1.481 9.096 1.00 0.00 C ATOM 244 O GLY A 16 -17.416 2.677 9.255 1.00 0.00 O ATOM 0 H GLY A 16 -17.279 -1.100 7.379 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.230 0.951 7.319 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.093 0.618 8.807 1.00 0.00 H new ATOM 248 N LYS A 17 -16.019 0.907 9.550 1.00 0.00 N ATOM 249 CA LYS A 17 -14.989 1.619 10.315 1.00 0.00 C ATOM 250 C LYS A 17 -13.755 1.864 9.442 1.00 0.00 C ATOM 251 O LYS A 17 -13.209 0.919 8.872 1.00 0.00 O ATOM 252 CB LYS A 17 -14.605 0.832 11.569 1.00 0.00 C ATOM 253 CG LYS A 17 -15.742 0.643 12.566 1.00 0.00 C ATOM 254 CD LYS A 17 -16.197 1.973 13.145 1.00 0.00 C ATOM 255 CE LYS A 17 -15.060 2.682 13.866 1.00 0.00 C ATOM 256 NZ LYS A 17 -15.521 3.921 14.549 1.00 0.00 N ATOM 0 H LYS A 17 -15.797 -0.076 9.391 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.396 2.581 10.626 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.234 -0.148 11.269 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.782 1.345 12.067 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -16.582 0.152 12.074 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -15.416 -0.014 13.372 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -16.576 2.609 12.345 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -17.022 1.807 13.838 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.618 2.007 14.599 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -14.277 2.932 13.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.716 4.373 15.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.919 4.577 13.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -16.250 3.680 15.250 1.00 0.00 H new ATOM 270 N THR A 18 -13.298 3.119 9.381 1.00 0.00 N ATOM 271 CA THR A 18 -12.175 3.521 8.529 1.00 0.00 C ATOM 272 C THR A 18 -10.967 3.813 9.418 1.00 0.00 C ATOM 273 O THR A 18 -11.060 4.578 10.381 1.00 0.00 O ATOM 274 CB THR A 18 -12.503 4.762 7.677 1.00 0.00 C ATOM 275 OG1 THR A 18 -13.607 4.470 6.810 1.00 0.00 O ATOM 276 CG2 THR A 18 -11.300 5.167 6.841 1.00 0.00 C ATOM 0 H THR A 18 -13.697 3.886 9.922 1.00 0.00 H new ATOM 0 HA THR A 18 -11.962 2.704 7.839 1.00 0.00 H new ATOM 0 HB THR A 18 -12.763 5.585 8.343 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.316 3.854 6.106 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.550 6.045 6.246 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.462 5.400 7.498 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.024 4.346 6.179 1.00 0.00 H new ATOM 284 N TYR A 19 -9.854 3.171 9.105 1.00 0.00 N ATOM 285 CA TYR A 19 -8.585 3.332 9.815 1.00 0.00 C ATOM 286 C TYR A 19 -7.576 3.879 8.808 1.00 0.00 C ATOM 287 O TYR A 19 -7.392 3.273 7.748 1.00 0.00 O ATOM 288 CB TYR A 19 -8.101 2.010 10.415 1.00 0.00 C ATOM 289 CG TYR A 19 -9.086 1.374 11.371 1.00 0.00 C ATOM 290 CD1 TYR A 19 -10.188 0.676 10.899 1.00 0.00 C ATOM 291 CD2 TYR A 19 -8.910 1.472 12.743 1.00 0.00 C ATOM 292 CE1 TYR A 19 -11.092 0.094 11.768 1.00 0.00 C ATOM 293 CE2 TYR A 19 -9.806 0.894 13.621 1.00 0.00 C ATOM 294 CZ TYR A 19 -10.896 0.205 13.129 1.00 0.00 C ATOM 295 OH TYR A 19 -11.790 -0.373 14.000 1.00 0.00 O ATOM 0 H TYR A 19 -9.801 2.507 8.333 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.707 4.018 10.653 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.891 1.310 9.606 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.161 2.183 10.939 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.342 0.586 9.834 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.058 2.009 13.132 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.946 -0.444 11.384 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.654 0.981 14.687 1.00 0.00 H new ATOM 0 HH TYR A 19 -11.505 -0.202 14.922 1.00 0.00 H new ATOM 305 N GLU A 20 -6.920 4.992 9.135 1.00 0.00 N ATOM 306 CA GLU A 20 -5.923 5.621 8.259 1.00 0.00 C ATOM 307 C GLU A 20 -4.697 6.041 9.085 1.00 0.00 C ATOM 308 O GLU A 20 -4.821 6.437 10.253 1.00 0.00 O ATOM 309 CB GLU A 20 -6.520 6.829 7.534 1.00 0.00 C ATOM 310 CG GLU A 20 -6.953 7.963 8.452 1.00 0.00 C ATOM 311 CD GLU A 20 -7.514 9.116 7.669 1.00 0.00 C ATOM 312 OE1 GLU A 20 -7.601 9.008 6.468 1.00 0.00 O ATOM 313 OE2 GLU A 20 -7.961 10.060 8.277 1.00 0.00 O ATOM 0 H GLU A 20 -7.063 5.486 10.016 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.613 4.897 7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.785 7.212 6.826 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.381 6.499 6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.703 7.599 9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.101 8.302 9.042 1.00 0.00 H new ATOM 320 N ARG A 21 -3.514 5.911 8.475 1.00 0.00 N ATOM 321 CA ARG A 21 -2.229 6.262 9.092 1.00 0.00 C ATOM 322 C ARG A 21 -1.211 6.519 7.979 1.00 0.00 C ATOM 323 O ARG A 21 -1.183 5.787 6.986 1.00 0.00 O ATOM 324 CB ARG A 21 -1.740 5.218 10.086 1.00 0.00 C ATOM 325 CG ARG A 21 -0.555 5.648 10.935 1.00 0.00 C ATOM 326 CD ARG A 21 -0.195 4.692 12.012 1.00 0.00 C ATOM 327 NE ARG A 21 0.966 5.080 12.799 1.00 0.00 N ATOM 328 CZ ARG A 21 1.267 4.581 14.014 1.00 0.00 C ATOM 329 NH1 ARG A 21 0.482 3.707 14.602 1.00 0.00 N ATOM 330 NH2 ARG A 21 2.364 5.014 14.611 1.00 0.00 N ATOM 0 H ARG A 21 -3.420 5.554 7.524 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.362 7.168 9.684 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.565 4.953 10.747 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.468 4.316 9.538 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.310 5.788 10.286 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.777 6.616 11.384 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.049 4.578 12.680 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.006 3.716 11.566 1.00 0.00 H new ATOM 0 HE ARG A 21 1.596 5.778 12.403 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.372 3.395 14.139 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.726 3.340 15.522 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.955 5.707 14.151 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.619 4.656 15.531 1.00 0.00 H new ATOM 344 N THR A 22 -0.397 7.571 8.148 1.00 0.00 N ATOM 345 CA THR A 22 0.720 7.885 7.253 1.00 0.00 C ATOM 346 C THR A 22 2.041 7.357 7.859 1.00 0.00 C ATOM 347 O THR A 22 2.320 7.581 9.041 1.00 0.00 O ATOM 348 CB THR A 22 0.837 9.399 6.997 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.359 9.873 6.367 1.00 0.00 O ATOM 350 CG2 THR A 22 2.030 9.697 6.102 1.00 0.00 C ATOM 0 H THR A 22 -0.499 8.232 8.918 1.00 0.00 H new ATOM 0 HA THR A 22 0.528 7.397 6.298 1.00 0.00 H new ATOM 0 HB THR A 22 0.977 9.905 7.952 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.284 10.837 6.206 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.098 10.771 5.931 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.943 9.348 6.585 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.906 9.185 5.148 1.00 0.00 H new ATOM 358 N TYR A 23 2.842 6.647 7.034 1.00 0.00 N ATOM 359 CA TYR A 23 4.097 5.990 7.456 1.00 0.00 C ATOM 360 C TYR A 23 5.301 6.608 6.723 1.00 0.00 C ATOM 361 O TYR A 23 5.225 6.897 5.526 1.00 0.00 O ATOM 362 CB TYR A 23 4.034 4.483 7.192 1.00 0.00 C ATOM 363 CG TYR A 23 2.877 3.789 7.874 1.00 0.00 C ATOM 364 CD1 TYR A 23 1.622 3.746 7.282 1.00 0.00 C ATOM 365 CD2 TYR A 23 3.041 3.176 9.108 1.00 0.00 C ATOM 366 CE1 TYR A 23 0.561 3.114 7.901 1.00 0.00 C ATOM 367 CE2 TYR A 23 1.987 2.541 9.735 1.00 0.00 C ATOM 368 CZ TYR A 23 0.748 2.512 9.128 1.00 0.00 C ATOM 369 OH TYR A 23 -0.305 1.879 9.748 1.00 0.00 O ATOM 0 H TYR A 23 2.632 6.513 6.045 1.00 0.00 H new ATOM 0 HA TYR A 23 4.221 6.148 8.527 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.963 4.315 6.117 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.966 4.027 7.525 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.473 4.215 6.321 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.009 3.196 9.586 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.409 3.091 7.427 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.132 2.069 10.696 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.005 1.507 10.603 1.00 0.00 H new ATOM 379 N GLN A 24 6.420 6.760 7.441 1.00 0.00 N ATOM 380 CA GLN A 24 7.694 7.203 6.856 1.00 0.00 C ATOM 381 C GLN A 24 8.572 5.960 6.632 1.00 0.00 C ATOM 382 O GLN A 24 8.951 5.275 7.586 1.00 0.00 O ATOM 383 CB GLN A 24 8.407 8.207 7.767 1.00 0.00 C ATOM 384 CG GLN A 24 7.731 9.565 7.844 1.00 0.00 C ATOM 385 CD GLN A 24 6.529 9.562 8.769 1.00 0.00 C ATOM 386 OE1 GLN A 24 6.497 8.834 9.765 1.00 0.00 O ATOM 387 NE2 GLN A 24 5.531 10.373 8.442 1.00 0.00 N ATOM 0 H GLN A 24 6.469 6.580 8.444 1.00 0.00 H new ATOM 0 HA GLN A 24 7.504 7.710 5.910 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.471 7.788 8.771 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.429 8.342 7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.451 10.307 8.191 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.417 9.868 6.845 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.601 10.957 7.609 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.694 10.412 9.024 1.00 0.00 H new ATOM 396 N LEU A 25 8.865 5.678 5.358 1.00 0.00 N ATOM 397 CA LEU A 25 9.691 4.544 4.921 1.00 0.00 C ATOM 398 C LEU A 25 10.959 5.083 4.244 1.00 0.00 C ATOM 399 O LEU A 25 10.866 5.793 3.236 1.00 0.00 O ATOM 400 CB LEU A 25 8.909 3.630 3.971 1.00 0.00 C ATOM 401 CG LEU A 25 7.601 3.063 4.539 1.00 0.00 C ATOM 402 CD1 LEU A 25 6.921 2.181 3.502 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.898 2.274 5.805 1.00 0.00 C ATOM 0 H LEU A 25 8.526 6.246 4.581 1.00 0.00 H new ATOM 0 HA LEU A 25 9.971 3.946 5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.680 4.187 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.551 2.798 3.682 1.00 0.00 H new ATOM 0 HG LEU A 25 6.926 3.882 4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.994 1.783 3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.699 2.770 2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.582 1.357 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.969 1.871 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.578 1.455 5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.360 2.930 6.543 1.00 0.00 H new ATOM 415 N TYR A 26 12.137 4.793 4.815 1.00 0.00 N ATOM 416 CA TYR A 26 13.429 5.073 4.164 1.00 0.00 C ATOM 417 C TYR A 26 14.188 3.756 3.911 1.00 0.00 C ATOM 418 O TYR A 26 14.378 2.966 4.841 1.00 0.00 O ATOM 419 CB TYR A 26 14.274 6.020 5.020 1.00 0.00 C ATOM 420 CG TYR A 26 15.657 6.278 4.464 1.00 0.00 C ATOM 421 CD1 TYR A 26 15.843 7.116 3.374 1.00 0.00 C ATOM 422 CD2 TYR A 26 16.774 5.685 5.034 1.00 0.00 C ATOM 423 CE1 TYR A 26 17.103 7.356 2.863 1.00 0.00 C ATOM 424 CE2 TYR A 26 18.040 5.918 4.531 1.00 0.00 C ATOM 425 CZ TYR A 26 18.201 6.753 3.445 1.00 0.00 C ATOM 426 OH TYR A 26 19.459 6.990 2.940 1.00 0.00 O ATOM 0 H TYR A 26 12.223 4.361 5.735 1.00 0.00 H new ATOM 0 HA TYR A 26 13.237 5.560 3.208 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.750 6.970 5.119 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.368 5.602 6.022 1.00 0.00 H new ATOM 0 HD1 TYR A 26 14.987 7.589 2.917 1.00 0.00 H new ATOM 0 HD2 TYR A 26 16.652 5.031 5.885 1.00 0.00 H new ATOM 0 HE1 TYR A 26 17.229 8.011 2.014 1.00 0.00 H new ATOM 0 HE2 TYR A 26 18.899 5.448 4.986 1.00 0.00 H new ATOM 0 HH TYR A 26 20.121 6.491 3.463 1.00 0.00 H new ATOM 436 N ALA A 27 14.637 3.541 2.662 1.00 0.00 N ATOM 437 CA ALA A 27 15.347 2.313 2.254 1.00 0.00 C ATOM 438 C ALA A 27 16.343 2.614 1.134 1.00 0.00 C ATOM 439 O ALA A 27 16.100 3.484 0.298 1.00 0.00 O ATOM 440 CB ALA A 27 14.355 1.238 1.795 1.00 0.00 C ATOM 0 H ALA A 27 14.518 4.214 1.905 1.00 0.00 H new ATOM 0 HA ALA A 27 15.893 1.938 3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.901 0.342 1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.676 0.996 2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.782 1.611 0.946 1.00 0.00 H new ATOM 446 N VAL A 28 17.463 1.868 1.137 1.00 0.00 N ATOM 447 CA VAL A 28 18.548 2.012 0.153 1.00 0.00 C ATOM 448 C VAL A 28 18.101 1.422 -1.199 1.00 0.00 C ATOM 449 O VAL A 28 18.157 2.089 -2.232 1.00 0.00 O ATOM 450 CB VAL A 28 19.842 1.316 0.617 1.00 0.00 C ATOM 451 CG1 VAL A 28 20.887 1.346 -0.488 1.00 0.00 C ATOM 452 CG2 VAL A 28 20.381 1.976 1.877 1.00 0.00 C ATOM 0 H VAL A 28 17.640 1.141 1.830 1.00 0.00 H new ATOM 0 HA VAL A 28 18.762 3.076 0.047 1.00 0.00 H new ATOM 0 HB VAL A 28 19.610 0.276 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.795 0.850 -0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.502 0.829 -1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 28 21.114 2.380 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 28 21.295 1.471 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 28 20.597 3.025 1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.638 1.906 2.671 1.00 0.00 H new ATOM 462 N ARG A 29 17.673 0.148 -1.162 1.00 0.00 N ATOM 463 CA ARG A 29 17.273 -0.613 -2.363 1.00 0.00 C ATOM 464 C ARG A 29 15.739 -0.674 -2.461 1.00 0.00 C ATOM 465 O ARG A 29 15.039 -0.645 -1.439 1.00 0.00 O ATOM 466 CB ARG A 29 17.895 -2.001 -2.409 1.00 0.00 C ATOM 467 CG ARG A 29 19.408 -2.019 -2.564 1.00 0.00 C ATOM 468 CD ARG A 29 20.041 -3.323 -2.240 1.00 0.00 C ATOM 469 NE ARG A 29 19.928 -3.718 -0.845 1.00 0.00 N ATOM 470 CZ ARG A 29 20.267 -4.930 -0.364 1.00 0.00 C ATOM 471 NH1 ARG A 29 20.704 -5.878 -1.163 1.00 0.00 N ATOM 472 NH2 ARG A 29 20.124 -5.149 0.932 1.00 0.00 N ATOM 0 H ARG A 29 17.594 -0.386 -0.297 1.00 0.00 H new ATOM 0 HA ARG A 29 17.658 -0.084 -3.235 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.632 -2.532 -1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.453 -2.554 -3.237 1.00 0.00 H new ATOM 0 HG2 ARG A 29 19.659 -1.752 -3.590 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.836 -1.251 -1.920 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.589 -4.096 -2.861 1.00 0.00 H new ATOM 0 HD3 ARG A 29 21.097 -3.276 -2.507 1.00 0.00 H new ATOM 0 HE ARG A 29 19.567 -3.030 -0.185 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.791 -5.702 -2.164 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.956 -6.790 -0.782 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.766 -4.411 1.538 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.372 -6.056 1.326 1.00 0.00 H new ATOM 486 N ASP A 30 15.235 -0.791 -3.698 1.00 0.00 N ATOM 487 CA ASP A 30 13.787 -0.920 -3.971 1.00 0.00 C ATOM 488 C ASP A 30 13.200 -2.161 -3.246 1.00 0.00 C ATOM 489 O ASP A 30 12.072 -2.118 -2.735 1.00 0.00 O ATOM 490 CB ASP A 30 13.531 -1.013 -5.477 1.00 0.00 C ATOM 491 CG ASP A 30 13.721 0.298 -6.231 1.00 0.00 C ATOM 492 OD1 ASP A 30 13.829 1.317 -5.592 1.00 0.00 O ATOM 493 OD2 ASP A 30 13.915 0.251 -7.422 1.00 0.00 O ATOM 0 H ASP A 30 15.813 -0.799 -4.538 1.00 0.00 H new ATOM 0 HA ASP A 30 13.288 -0.030 -3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.200 -1.762 -5.901 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.513 -1.367 -5.639 1.00 0.00 H new ATOM 498 N GLU A 31 14.001 -3.257 -3.204 1.00 0.00 N ATOM 499 CA GLU A 31 13.630 -4.538 -2.552 1.00 0.00 C ATOM 500 C GLU A 31 13.399 -4.348 -1.045 1.00 0.00 C ATOM 501 O GLU A 31 12.514 -4.977 -0.451 1.00 0.00 O ATOM 502 CB GLU A 31 14.710 -5.597 -2.784 1.00 0.00 C ATOM 503 CG GLU A 31 14.829 -6.068 -4.226 1.00 0.00 C ATOM 504 CD GLU A 31 13.549 -6.701 -4.701 1.00 0.00 C ATOM 505 OE1 GLU A 31 13.014 -7.518 -3.992 1.00 0.00 O ATOM 506 OE2 GLU A 31 13.047 -6.285 -5.719 1.00 0.00 O ATOM 0 H GLU A 31 14.930 -3.275 -3.625 1.00 0.00 H new ATOM 0 HA GLU A 31 12.698 -4.879 -3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.671 -5.194 -2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.500 -6.458 -2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.079 -5.223 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.645 -6.785 -4.311 1.00 0.00 H new ATOM 513 N GLU A 32 14.221 -3.472 -0.443 1.00 0.00 N ATOM 514 CA GLU A 32 14.170 -3.187 0.994 1.00 0.00 C ATOM 515 C GLU A 32 12.864 -2.452 1.340 1.00 0.00 C ATOM 516 O GLU A 32 12.277 -2.687 2.391 1.00 0.00 O ATOM 517 CB GLU A 32 15.381 -2.357 1.425 1.00 0.00 C ATOM 518 CG GLU A 32 16.706 -3.104 1.370 1.00 0.00 C ATOM 519 CD GLU A 32 17.870 -2.159 1.477 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.648 -0.972 1.495 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.972 -2.623 1.653 1.00 0.00 O ATOM 0 H GLU A 32 14.937 -2.944 -0.941 1.00 0.00 H new ATOM 0 HA GLU A 32 14.196 -4.132 1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.448 -1.476 0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 32 15.220 -2.002 2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.750 -3.832 2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.773 -3.662 0.436 1.00 0.00 H new ATOM 528 N LEU A 33 12.411 -1.570 0.428 1.00 0.00 N ATOM 529 CA LEU A 33 11.141 -0.832 0.579 1.00 0.00 C ATOM 530 C LEU A 33 9.930 -1.803 0.513 1.00 0.00 C ATOM 531 O LEU A 33 8.986 -1.649 1.287 1.00 0.00 O ATOM 532 CB LEU A 33 11.034 0.307 -0.502 1.00 0.00 C ATOM 533 CG LEU A 33 10.239 1.609 -0.094 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.763 1.347 0.261 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.939 2.358 1.061 1.00 0.00 C ATOM 0 H LEU A 33 12.913 -1.349 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 33 11.126 -0.358 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 33 12.045 0.602 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.564 -0.113 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 33 10.241 2.239 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.281 2.287 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.254 0.912 -0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.708 0.656 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.366 3.249 1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.003 1.705 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.943 2.649 0.751 1.00 0.00 H new ATOM 547 N LYS A 34 9.986 -2.810 -0.393 1.00 0.00 N ATOM 548 CA LYS A 34 8.851 -3.737 -0.642 1.00 0.00 C ATOM 549 C LYS A 34 8.405 -4.435 0.662 1.00 0.00 C ATOM 550 O LYS A 34 7.215 -4.447 0.995 1.00 0.00 O ATOM 551 CB LYS A 34 9.230 -4.784 -1.692 1.00 0.00 C ATOM 552 CG LYS A 34 9.312 -4.246 -3.115 1.00 0.00 C ATOM 553 CD LYS A 34 9.725 -5.335 -4.094 1.00 0.00 C ATOM 554 CE LYS A 34 9.809 -4.798 -5.515 1.00 0.00 C ATOM 555 NZ LYS A 34 10.284 -5.833 -6.474 1.00 0.00 N ATOM 0 H LYS A 34 10.808 -3.002 -0.966 1.00 0.00 H new ATOM 0 HA LYS A 34 8.016 -3.145 -1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.194 -5.217 -1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.498 -5.591 -1.663 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.345 -3.838 -3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.029 -3.426 -3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.692 -5.744 -3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.007 -6.154 -4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.828 -4.439 -5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.484 -3.943 -5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.505 -5.385 -7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.138 -6.290 -6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.541 -6.547 -6.610 1.00 0.00 H new ATOM 569 N GLU A 35 9.391 -5.002 1.387 1.00 0.00 N ATOM 570 CA GLU A 35 9.145 -5.741 2.636 1.00 0.00 C ATOM 571 C GLU A 35 8.596 -4.832 3.748 1.00 0.00 C ATOM 572 O GLU A 35 7.808 -5.287 4.573 1.00 0.00 O ATOM 573 CB GLU A 35 10.430 -6.424 3.109 1.00 0.00 C ATOM 574 CG GLU A 35 11.573 -5.467 3.417 1.00 0.00 C ATOM 575 CD GLU A 35 12.782 -6.206 3.923 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.733 -7.410 3.990 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.791 -5.576 4.137 1.00 0.00 O ATOM 0 H GLU A 35 10.375 -4.959 1.122 1.00 0.00 H new ATOM 0 HA GLU A 35 8.388 -6.495 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.209 -7.007 4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.757 -7.127 2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.835 -4.909 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.251 -4.739 4.162 1.00 0.00 H new ATOM 584 N LYS A 36 8.999 -3.538 3.738 1.00 0.00 N ATOM 585 CA LYS A 36 8.489 -2.522 4.686 1.00 0.00 C ATOM 586 C LYS A 36 7.002 -2.243 4.438 1.00 0.00 C ATOM 587 O LYS A 36 6.238 -2.101 5.384 1.00 0.00 O ATOM 588 CB LYS A 36 9.289 -1.222 4.574 1.00 0.00 C ATOM 589 CG LYS A 36 10.713 -1.314 5.107 1.00 0.00 C ATOM 590 CD LYS A 36 11.432 0.022 4.997 1.00 0.00 C ATOM 591 CE LYS A 36 12.885 -0.092 5.433 1.00 0.00 C ATOM 592 NZ LYS A 36 13.007 -0.432 6.876 1.00 0.00 N ATOM 0 H LYS A 36 9.683 -3.172 3.076 1.00 0.00 H new ATOM 0 HA LYS A 36 8.607 -2.919 5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.324 -0.920 3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.761 -0.437 5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.694 -1.634 6.149 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.264 -2.073 4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.386 0.378 3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.923 0.763 5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.384 -0.856 4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.397 0.850 5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.004 -0.368 7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.440 0.234 7.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.663 -1.400 7.035 1.00 0.00 H new ATOM 606 N LEU A 37 6.618 -2.161 3.149 1.00 0.00 N ATOM 607 CA LEU A 37 5.216 -1.982 2.735 1.00 0.00 C ATOM 608 C LEU A 37 4.367 -3.192 3.151 1.00 0.00 C ATOM 609 O LEU A 37 3.218 -3.023 3.546 1.00 0.00 O ATOM 610 CB LEU A 37 5.130 -1.764 1.219 1.00 0.00 C ATOM 611 CG LEU A 37 5.643 -0.406 0.725 1.00 0.00 C ATOM 612 CD1 LEU A 37 5.784 -0.421 -0.791 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.688 0.691 1.168 1.00 0.00 C ATOM 0 H LEU A 37 7.272 -2.217 2.368 1.00 0.00 H new ATOM 0 HA LEU A 37 4.821 -1.099 3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.697 -2.551 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.091 -1.876 0.910 1.00 0.00 H new ATOM 0 HG LEU A 37 6.625 -0.210 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.149 0.548 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.490 -1.198 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.814 -0.624 -1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.054 1.656 0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.699 0.503 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.626 0.701 2.256 1.00 0.00 H new ATOM 625 N LYS A 38 4.943 -4.409 3.060 1.00 0.00 N ATOM 626 CA LYS A 38 4.318 -5.639 3.588 1.00 0.00 C ATOM 627 C LYS A 38 4.048 -5.529 5.109 1.00 0.00 C ATOM 628 O LYS A 38 2.969 -5.907 5.567 1.00 0.00 O ATOM 629 CB LYS A 38 5.200 -6.853 3.298 1.00 0.00 C ATOM 630 CG LYS A 38 5.289 -7.228 1.824 1.00 0.00 C ATOM 631 CD LYS A 38 6.220 -8.412 1.609 1.00 0.00 C ATOM 632 CE LYS A 38 6.504 -8.632 0.130 1.00 0.00 C ATOM 633 NZ LYS A 38 7.525 -9.693 -0.088 1.00 0.00 N ATOM 0 H LYS A 38 5.850 -4.566 2.621 1.00 0.00 H new ATOM 0 HA LYS A 38 3.360 -5.766 3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.205 -6.654 3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.816 -7.707 3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.295 -7.471 1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.646 -6.373 1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.157 -8.242 2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.772 -9.311 2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.581 -8.907 -0.380 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.849 -7.699 -0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.727 -9.777 -1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.398 -9.444 0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.164 -10.601 0.269 1.00 0.00 H new ATOM 647 N LYS A 39 5.030 -4.987 5.879 1.00 0.00 N ATOM 648 CA LYS A 39 4.886 -4.806 7.348 1.00 0.00 C ATOM 649 C LYS A 39 3.750 -3.805 7.649 1.00 0.00 C ATOM 650 O LYS A 39 2.888 -4.075 8.482 1.00 0.00 O ATOM 651 CB LYS A 39 6.195 -4.323 7.973 1.00 0.00 C ATOM 652 CG LYS A 39 7.307 -5.363 7.986 1.00 0.00 C ATOM 653 CD LYS A 39 8.578 -4.807 8.610 1.00 0.00 C ATOM 654 CE LYS A 39 9.702 -5.833 8.586 1.00 0.00 C ATOM 655 NZ LYS A 39 10.954 -5.301 9.191 1.00 0.00 N ATOM 0 H LYS A 39 5.925 -4.669 5.508 1.00 0.00 H new ATOM 0 HA LYS A 39 4.637 -5.772 7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.542 -3.445 7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.999 -4.005 8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.980 -6.241 8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.513 -5.691 6.967 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.889 -3.912 8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.379 -4.507 9.639 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.389 -6.726 9.126 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.896 -6.135 7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.694 -6.031 9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.267 -4.463 8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.776 -5.037 10.181 1.00 0.00 H new ATOM 669 N VAL A 40 3.765 -2.676 6.906 1.00 0.00 N ATOM 670 CA VAL A 40 2.764 -1.593 6.998 1.00 0.00 C ATOM 671 C VAL A 40 1.336 -2.111 6.736 1.00 0.00 C ATOM 672 O VAL A 40 0.427 -1.824 7.512 1.00 0.00 O ATOM 673 CB VAL A 40 3.071 -0.456 6.004 1.00 0.00 C ATOM 674 CG1 VAL A 40 1.890 0.497 5.902 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.325 0.295 6.423 1.00 0.00 C ATOM 0 H VAL A 40 4.489 -2.490 6.212 1.00 0.00 H new ATOM 0 HA VAL A 40 2.822 -1.209 8.016 1.00 0.00 H new ATOM 0 HB VAL A 40 3.245 -0.896 5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.125 1.293 5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.012 -0.048 5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.686 0.929 6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.526 1.094 5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.179 0.723 7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.170 -0.393 6.445 1.00 0.00 H new ATOM 685 N LEU A 41 1.178 -2.906 5.664 1.00 0.00 N ATOM 686 CA LEU A 41 -0.095 -3.561 5.325 1.00 0.00 C ATOM 687 C LEU A 41 -0.532 -4.553 6.416 1.00 0.00 C ATOM 688 O LEU A 41 -1.685 -4.543 6.799 1.00 0.00 O ATOM 689 CB LEU A 41 -0.012 -4.245 3.923 1.00 0.00 C ATOM 690 CG LEU A 41 -0.168 -3.280 2.698 1.00 0.00 C ATOM 691 CD1 LEU A 41 0.303 -3.939 1.389 1.00 0.00 C ATOM 692 CD2 LEU A 41 -1.627 -2.784 2.571 1.00 0.00 C ATOM 0 H LEU A 41 1.931 -3.112 5.008 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.863 -2.789 5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.947 -4.756 3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.786 -5.010 3.863 1.00 0.00 H new ATOM 0 HG LEU A 41 0.474 -2.418 2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.179 -3.238 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.354 -4.213 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.290 -4.833 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.711 -2.116 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.291 -3.637 2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.909 -2.249 3.477 1.00 0.00 H new ATOM 704 N ASN A 42 0.401 -5.375 6.932 1.00 0.00 N ATOM 705 CA ASN A 42 0.096 -6.346 8.016 1.00 0.00 C ATOM 706 C ASN A 42 -0.302 -5.644 9.339 1.00 0.00 C ATOM 707 O ASN A 42 -1.256 -6.074 10.001 1.00 0.00 O ATOM 708 CB ASN A 42 1.266 -7.282 8.260 1.00 0.00 C ATOM 709 CG ASN A 42 1.448 -8.316 7.185 1.00 0.00 C ATOM 710 OD1 ASN A 42 0.520 -8.624 6.428 1.00 0.00 O ATOM 711 ND2 ASN A 42 2.612 -8.914 7.167 1.00 0.00 N ATOM 0 H ASN A 42 1.372 -5.391 6.621 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.760 -6.929 7.676 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.179 -6.693 8.343 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.123 -7.786 9.216 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.786 -9.672 6.507 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.345 -8.622 7.813 1.00 0.00 H new ATOM 718 N GLU A 43 0.413 -4.554 9.700 1.00 0.00 N ATOM 719 CA GLU A 43 0.192 -3.825 10.976 1.00 0.00 C ATOM 720 C GLU A 43 -1.176 -3.121 10.969 1.00 0.00 C ATOM 721 O GLU A 43 -1.956 -3.218 11.928 1.00 0.00 O ATOM 722 CB GLU A 43 1.307 -2.805 11.220 1.00 0.00 C ATOM 723 CG GLU A 43 2.642 -3.416 11.621 1.00 0.00 C ATOM 724 CD GLU A 43 3.722 -2.373 11.689 1.00 0.00 C ATOM 725 OE1 GLU A 43 3.450 -1.241 11.366 1.00 0.00 O ATOM 726 OE2 GLU A 43 4.788 -2.680 12.169 1.00 0.00 O ATOM 0 H GLU A 43 1.154 -4.156 9.123 1.00 0.00 H new ATOM 0 HA GLU A 43 0.206 -4.554 11.786 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.448 -2.216 10.314 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.987 -2.116 12.002 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.544 -3.905 12.590 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.922 -4.186 10.903 1.00 0.00 H new ATOM 733 N ARG A 44 -1.449 -2.439 9.848 1.00 0.00 N ATOM 734 CA ARG A 44 -2.689 -1.688 9.613 1.00 0.00 C ATOM 735 C ARG A 44 -3.912 -2.624 9.575 1.00 0.00 C ATOM 736 O ARG A 44 -5.006 -2.251 10.014 1.00 0.00 O ATOM 737 CB ARG A 44 -2.605 -0.827 8.361 1.00 0.00 C ATOM 738 CG ARG A 44 -3.793 0.095 8.139 1.00 0.00 C ATOM 739 CD ARG A 44 -3.869 1.235 9.086 1.00 0.00 C ATOM 740 NE ARG A 44 -4.432 0.904 10.386 1.00 0.00 N ATOM 741 CZ ARG A 44 -4.594 1.781 11.396 1.00 0.00 C ATOM 742 NH1 ARG A 44 -4.204 3.031 11.277 1.00 0.00 N ATOM 743 NH2 ARG A 44 -5.134 1.344 12.520 1.00 0.00 N ATOM 0 H ARG A 44 -0.800 -2.393 9.063 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.819 -1.009 10.456 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.699 -0.223 8.413 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.503 -1.480 7.494 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.750 0.485 7.122 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.710 -0.489 8.218 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.867 1.638 9.230 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.469 2.026 8.635 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.725 -0.060 10.544 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.771 3.350 10.410 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.334 3.682 12.052 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.415 0.367 12.605 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.270 1.984 13.303 1.00 0.00 H new ATOM 757 N MET A 45 -3.705 -3.849 9.061 1.00 0.00 N ATOM 758 CA MET A 45 -4.774 -4.847 8.923 1.00 0.00 C ATOM 759 C MET A 45 -4.939 -5.712 10.176 1.00 0.00 C ATOM 760 O MET A 45 -5.877 -6.512 10.236 1.00 0.00 O ATOM 761 CB MET A 45 -4.565 -5.731 7.662 1.00 0.00 C ATOM 762 CG MET A 45 -4.707 -4.980 6.325 1.00 0.00 C ATOM 763 SD MET A 45 -4.710 -6.095 4.907 1.00 0.00 S ATOM 764 CE MET A 45 -6.338 -6.852 5.039 1.00 0.00 C ATOM 0 H MET A 45 -2.795 -4.172 8.732 1.00 0.00 H new ATOM 0 HA MET A 45 -5.702 -4.288 8.799 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.573 -6.180 7.709 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.286 -6.549 7.683 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.632 -4.403 6.332 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.888 -4.268 6.222 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.576 -7.367 4.108 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.341 -7.568 5.861 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.084 -6.080 5.228 1.00 0.00 H new ATOM 774 N ASP A 46 -4.061 -5.550 11.181 1.00 0.00 N ATOM 775 CA ASP A 46 -4.182 -6.292 12.451 1.00 0.00 C ATOM 776 C ASP A 46 -5.572 -6.062 13.120 1.00 0.00 C ATOM 777 O ASP A 46 -6.255 -7.051 13.414 1.00 0.00 O ATOM 778 CB ASP A 46 -3.060 -5.884 13.410 1.00 0.00 C ATOM 779 CG ASP A 46 -1.706 -6.506 13.094 1.00 0.00 C ATOM 780 OD1 ASP A 46 -1.665 -7.424 12.310 1.00 0.00 O ATOM 781 OD2 ASP A 46 -0.713 -5.963 13.514 1.00 0.00 O ATOM 0 H ASP A 46 -3.263 -4.916 11.141 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.093 -7.355 12.225 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.961 -4.799 13.393 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.346 -6.162 14.424 1.00 0.00 H new ATOM 786 N PRO A 47 -6.054 -4.779 13.343 1.00 0.00 N ATOM 787 CA PRO A 47 -7.395 -4.547 13.954 1.00 0.00 C ATOM 788 C PRO A 47 -8.542 -4.883 12.972 1.00 0.00 C ATOM 789 O PRO A 47 -9.682 -5.085 13.383 1.00 0.00 O ATOM 790 CB PRO A 47 -7.370 -3.044 14.320 1.00 0.00 C ATOM 791 CG PRO A 47 -6.415 -2.442 13.334 1.00 0.00 C ATOM 792 CD PRO A 47 -5.334 -3.481 13.133 1.00 0.00 C ATOM 0 HA PRO A 47 -7.580 -5.187 14.817 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.361 -2.598 14.238 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.034 -2.889 15.345 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.916 -2.210 12.394 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.997 -1.509 13.712 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.899 -3.420 12.135 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.518 -3.355 13.845 1.00 0.00 H new ATOM 800 N ILE A 48 -8.196 -4.953 11.669 1.00 0.00 N ATOM 801 CA ILE A 48 -9.141 -5.206 10.571 1.00 0.00 C ATOM 802 C ILE A 48 -9.530 -6.711 10.530 1.00 0.00 C ATOM 803 O ILE A 48 -10.696 -7.048 10.269 1.00 0.00 O ATOM 804 CB ILE A 48 -8.511 -4.731 9.210 1.00 0.00 C ATOM 805 CG1 ILE A 48 -8.134 -3.204 9.259 1.00 0.00 C ATOM 806 CG2 ILE A 48 -9.397 -5.043 7.987 1.00 0.00 C ATOM 807 CD1 ILE A 48 -9.284 -2.233 9.476 1.00 0.00 C ATOM 0 H ILE A 48 -7.235 -4.833 11.350 1.00 0.00 H new ATOM 0 HA ILE A 48 -10.055 -4.637 10.738 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.597 -5.310 9.082 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.406 -3.057 10.057 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.638 -2.944 8.324 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.904 -4.690 7.081 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.555 -6.119 7.918 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.358 -4.541 8.097 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.901 -1.213 9.491 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.006 -2.337 8.666 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.771 -2.452 10.426 1.00 0.00 H new ATOM 819 N LYS A 49 -8.547 -7.615 10.821 1.00 0.00 N ATOM 820 CA LYS A 49 -8.783 -9.083 10.831 1.00 0.00 C ATOM 821 C LYS A 49 -9.758 -9.436 11.971 1.00 0.00 C ATOM 822 O LYS A 49 -10.552 -10.363 11.859 1.00 0.00 O ATOM 823 CB LYS A 49 -7.471 -9.852 10.994 1.00 0.00 C ATOM 824 CG LYS A 49 -6.537 -9.763 9.794 1.00 0.00 C ATOM 825 CD LYS A 49 -5.254 -10.547 10.032 1.00 0.00 C ATOM 826 CE LYS A 49 -4.280 -10.379 8.876 1.00 0.00 C ATOM 827 NZ LYS A 49 -3.019 -11.137 9.097 1.00 0.00 N ATOM 0 H LYS A 49 -7.589 -7.349 11.050 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.220 -9.374 9.876 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.950 -9.475 11.874 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.700 -10.901 11.184 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.042 -10.148 8.908 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.296 -8.719 9.595 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.786 -10.210 10.957 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.490 -11.603 10.161 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.750 -10.718 7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.050 -9.322 8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.383 -10.996 8.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.556 -10.796 9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.235 -12.150 9.195 1.00 0.00 H new ATOM 841 N LYS A 50 -9.655 -8.661 13.073 1.00 0.00 N ATOM 842 CA LYS A 50 -10.552 -8.759 14.242 1.00 0.00 C ATOM 843 C LYS A 50 -12.002 -8.394 13.859 1.00 0.00 C ATOM 844 O LYS A 50 -12.955 -8.842 14.513 1.00 0.00 O ATOM 845 CB LYS A 50 -10.062 -7.851 15.372 1.00 0.00 C ATOM 846 CG LYS A 50 -10.928 -7.883 16.625 1.00 0.00 C ATOM 847 CD LYS A 50 -10.347 -7.004 17.722 1.00 0.00 C ATOM 848 CE LYS A 50 -10.339 -5.539 17.313 1.00 0.00 C ATOM 849 NZ LYS A 50 -9.841 -4.658 18.403 1.00 0.00 N ATOM 0 H LYS A 50 -8.938 -7.942 13.175 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.538 -9.792 14.589 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.046 -8.141 15.640 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.015 -6.826 15.004 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.936 -7.546 16.382 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.013 -8.908 16.985 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.930 -7.125 18.635 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.330 -7.326 17.948 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.712 -5.413 16.430 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.348 -5.235 17.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.852 -3.669 18.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.453 -4.758 19.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.869 -4.930 18.652 1.00 0.00 H new ATOM 863 N LEU A 51 -12.165 -7.594 12.788 1.00 0.00 N ATOM 864 CA LEU A 51 -13.493 -7.135 12.337 1.00 0.00 C ATOM 865 C LEU A 51 -14.110 -8.164 11.368 1.00 0.00 C ATOM 866 O LEU A 51 -15.333 -8.338 11.340 1.00 0.00 O ATOM 867 CB LEU A 51 -13.389 -5.758 11.670 1.00 0.00 C ATOM 868 CG LEU A 51 -12.821 -4.643 12.558 1.00 0.00 C ATOM 869 CD1 LEU A 51 -12.685 -3.356 11.756 1.00 0.00 C ATOM 870 CD2 LEU A 51 -13.731 -4.437 13.760 1.00 0.00 C ATOM 0 H LEU A 51 -11.392 -7.252 12.218 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.144 -7.043 13.206 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.763 -5.848 10.783 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -14.381 -5.460 11.331 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.831 -4.929 12.913 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.281 -2.570 12.395 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.012 -3.521 10.914 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.664 -3.054 11.384 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.327 -3.645 14.391 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.727 -4.156 13.418 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.791 -5.362 14.333 1.00 0.00 H new ATOM 882 N GLY A 52 -13.234 -8.843 10.601 1.00 0.00 N ATOM 883 CA GLY A 52 -13.607 -10.016 9.810 1.00 0.00 C ATOM 884 C GLY A 52 -14.488 -9.687 8.618 1.00 0.00 C ATOM 885 O GLY A 52 -15.637 -10.139 8.544 1.00 0.00 O ATOM 0 H GLY A 52 -12.250 -8.588 10.517 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.701 -10.510 9.457 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.128 -10.727 10.452 1.00 0.00 H new ATOM 889 N CYS A 53 -13.960 -8.873 7.697 1.00 0.00 N ATOM 890 CA CYS A 53 -14.685 -8.470 6.486 1.00 0.00 C ATOM 891 C CYS A 53 -14.431 -9.452 5.331 1.00 0.00 C ATOM 892 O CYS A 53 -13.278 -9.785 5.033 1.00 0.00 O ATOM 893 CB CYS A 53 -14.292 -7.040 6.089 1.00 0.00 C ATOM 894 SG CYS A 53 -14.976 -5.769 7.192 1.00 0.00 S ATOM 0 H CYS A 53 -13.023 -8.477 7.769 1.00 0.00 H new ATOM 0 HA CYS A 53 -15.753 -8.491 6.702 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -13.205 -6.958 6.083 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -14.631 -6.848 5.071 1.00 0.00 H new ATOM 899 N LYS A 54 -15.535 -9.918 4.716 1.00 0.00 N ATOM 900 CA LYS A 54 -15.524 -10.747 3.497 1.00 0.00 C ATOM 901 C LYS A 54 -15.048 -9.914 2.289 1.00 0.00 C ATOM 902 O LYS A 54 -14.692 -10.462 1.238 1.00 0.00 O ATOM 903 CB LYS A 54 -16.912 -11.332 3.226 1.00 0.00 C ATOM 904 CG LYS A 54 -17.369 -12.364 4.248 1.00 0.00 C ATOM 905 CD LYS A 54 -18.756 -12.895 3.916 1.00 0.00 C ATOM 906 CE LYS A 54 -19.202 -13.947 4.921 1.00 0.00 C ATOM 907 NZ LYS A 54 -20.560 -14.471 4.613 1.00 0.00 N ATOM 0 H LYS A 54 -16.476 -9.725 5.059 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.829 -11.573 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -17.637 -10.519 3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.913 -11.792 2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.658 -13.190 4.277 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.377 -11.916 5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -19.470 -12.072 3.907 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -18.753 -13.325 2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -18.488 -14.770 4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -19.198 -13.517 5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -20.826 -15.185 5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -21.246 -13.690 4.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -20.559 -14.905 3.668 1.00 0.00 H new ATOM 921 N ARG A 55 -15.042 -8.584 2.458 1.00 0.00 N ATOM 922 CA ARG A 55 -14.514 -7.656 1.455 1.00 0.00 C ATOM 923 C ARG A 55 -14.065 -6.359 2.148 1.00 0.00 C ATOM 924 O ARG A 55 -14.799 -5.795 2.970 1.00 0.00 O ATOM 925 CB ARG A 55 -15.499 -7.390 0.326 1.00 0.00 C ATOM 926 CG ARG A 55 -14.912 -6.669 -0.878 1.00 0.00 C ATOM 927 CD ARG A 55 -15.853 -6.512 -2.016 1.00 0.00 C ATOM 928 NE ARG A 55 -15.347 -5.698 -3.109 1.00 0.00 N ATOM 929 CZ ARG A 55 -15.892 -5.646 -4.340 1.00 0.00 C ATOM 930 NH1 ARG A 55 -16.935 -6.384 -4.651 1.00 0.00 N ATOM 931 NH2 ARG A 55 -15.335 -4.850 -5.236 1.00 0.00 N ATOM 0 H ARG A 55 -15.403 -8.124 3.294 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.650 -8.121 0.980 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.915 -8.341 -0.006 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -16.327 -6.799 0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.571 -5.682 -0.565 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.034 -7.216 -1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.105 -7.500 -2.402 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -16.778 -6.069 -1.648 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.521 -5.126 -2.931 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -17.344 -7.008 -3.955 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.335 -6.332 -5.588 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.515 -4.297 -4.987 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.725 -4.789 -6.177 1.00 0.00 H new ATOM 945 N VAL A 56 -12.852 -5.904 1.804 1.00 0.00 N ATOM 946 CA VAL A 56 -12.216 -4.709 2.398 1.00 0.00 C ATOM 947 C VAL A 56 -11.793 -3.752 1.278 1.00 0.00 C ATOM 948 O VAL A 56 -11.547 -4.189 0.157 1.00 0.00 O ATOM 949 CB VAL A 56 -10.987 -5.067 3.256 1.00 0.00 C ATOM 950 CG1 VAL A 56 -11.400 -5.918 4.447 1.00 0.00 C ATOM 951 CG2 VAL A 56 -9.947 -5.794 2.417 1.00 0.00 C ATOM 0 H VAL A 56 -12.274 -6.358 1.097 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.948 -4.236 3.053 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.545 -4.143 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.520 -6.162 5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.111 -5.365 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.865 -6.838 4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.086 -6.040 3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.379 -6.711 2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.630 -5.153 1.594 1.00 0.00 H new ATOM 961 N ARG A 57 -11.741 -2.446 1.586 1.00 0.00 N ATOM 962 CA ARG A 57 -11.274 -1.429 0.636 1.00 0.00 C ATOM 963 C ARG A 57 -9.991 -0.812 1.211 1.00 0.00 C ATOM 964 O ARG A 57 -9.979 -0.365 2.351 1.00 0.00 O ATOM 965 CB ARG A 57 -12.329 -0.380 0.311 1.00 0.00 C ATOM 966 CG ARG A 57 -11.822 0.810 -0.489 1.00 0.00 C ATOM 967 CD ARG A 57 -12.893 1.703 -1.001 1.00 0.00 C ATOM 968 NE ARG A 57 -13.704 1.126 -2.061 1.00 0.00 N ATOM 969 CZ ARG A 57 -14.929 1.565 -2.411 1.00 0.00 C ATOM 970 NH1 ARG A 57 -15.503 2.556 -1.766 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.549 0.955 -3.406 1.00 0.00 N ATOM 0 H ARG A 57 -12.019 -2.070 2.492 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.066 -1.902 -0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.135 -0.857 -0.246 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.758 -0.016 1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.147 1.393 0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.237 0.443 -1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.545 1.980 -0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.437 2.622 -1.369 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.319 0.334 -2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.021 3.005 -0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.431 2.876 -2.044 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.099 0.175 -3.886 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.477 1.264 -3.694 1.00 0.00 H new ATOM 985 N ILE A 58 -8.915 -0.823 0.420 1.00 0.00 N ATOM 986 CA ILE A 58 -7.611 -0.258 0.815 1.00 0.00 C ATOM 987 C ILE A 58 -7.263 0.858 -0.183 1.00 0.00 C ATOM 988 O ILE A 58 -7.310 0.649 -1.403 1.00 0.00 O ATOM 989 CB ILE A 58 -6.491 -1.315 0.832 1.00 0.00 C ATOM 990 CG1 ILE A 58 -6.823 -2.429 1.829 1.00 0.00 C ATOM 991 CG2 ILE A 58 -5.157 -0.671 1.175 1.00 0.00 C ATOM 992 CD1 ILE A 58 -5.898 -3.620 1.744 1.00 0.00 C ATOM 0 H ILE A 58 -8.918 -1.225 -0.518 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.689 0.127 1.832 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.414 -1.754 -0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.784 -2.022 2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.846 -2.763 1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.377 -1.432 1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.917 0.087 0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.220 -0.206 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.197 -4.366 2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.954 -4.053 0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.875 -3.301 1.945 1.00 0.00 H new ATOM 1004 N SER A 59 -6.942 2.041 0.338 1.00 0.00 N ATOM 1005 CA SER A 59 -6.518 3.185 -0.463 1.00 0.00 C ATOM 1006 C SER A 59 -5.117 3.590 0.014 1.00 0.00 C ATOM 1007 O SER A 59 -4.921 3.900 1.193 1.00 0.00 O ATOM 1008 CB SER A 59 -7.569 4.315 -0.287 1.00 0.00 C ATOM 1009 OG SER A 59 -7.240 5.483 -1.007 1.00 0.00 O ATOM 0 H SER A 59 -6.970 2.233 1.339 1.00 0.00 H new ATOM 0 HA SER A 59 -6.459 2.958 -1.527 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.543 3.953 -0.615 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.660 4.559 0.771 1.00 0.00 H new ATOM 0 HG SER A 59 -7.933 6.161 -0.864 1.00 0.00 H new ATOM 1015 N ILE A 60 -4.130 3.552 -0.909 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.731 3.926 -0.614 1.00 0.00 C ATOM 1017 C ILE A 60 -2.284 5.115 -1.478 1.00 0.00 C ATOM 1018 O ILE A 60 -2.315 5.049 -2.708 1.00 0.00 O ATOM 1019 CB ILE A 60 -1.766 2.748 -0.843 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -2.104 1.591 0.099 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.325 3.195 -0.647 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -1.253 0.359 -0.117 1.00 0.00 C ATOM 0 H ILE A 60 -4.281 3.262 -1.875 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.697 4.208 0.438 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.880 2.400 -1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.985 1.927 1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.153 1.324 -0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.344 2.350 -0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.090 3.988 -1.357 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.195 3.567 0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.551 -0.417 0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.389 -0.003 -1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.204 0.609 0.042 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.887 6.214 -0.809 1.00 0.00 N ATOM 1035 CA ARG A 61 -1.364 7.420 -1.468 1.00 0.00 C ATOM 1036 C ARG A 61 0.132 7.544 -1.168 1.00 0.00 C ATOM 1037 O ARG A 61 0.545 7.461 -0.011 1.00 0.00 O ATOM 1038 CB ARG A 61 -2.129 8.679 -1.090 1.00 0.00 C ATOM 1039 CG ARG A 61 -1.734 9.924 -1.869 1.00 0.00 C ATOM 1040 CD ARG A 61 -2.525 11.135 -1.529 1.00 0.00 C ATOM 1041 NE ARG A 61 -2.246 12.291 -2.365 1.00 0.00 N ATOM 1042 CZ ARG A 61 -2.692 13.538 -2.119 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -3.468 13.789 -1.088 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -2.348 14.501 -2.958 1.00 0.00 N ATOM 0 H ARG A 61 -1.921 6.288 0.208 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.507 7.313 -2.543 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.194 8.498 -1.237 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.982 8.871 -0.027 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.679 10.131 -1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.842 9.721 -2.934 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.585 10.894 -1.606 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.332 11.399 -0.489 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.672 12.148 -3.196 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.741 13.034 -0.460 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.797 14.739 -0.916 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.761 14.289 -3.764 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.670 15.456 -2.798 1.00 0.00 H new ATOM 1058 N VAL A 62 0.936 7.746 -2.212 1.00 0.00 N ATOM 1059 CA VAL A 62 2.402 7.784 -2.098 1.00 0.00 C ATOM 1060 C VAL A 62 2.888 9.239 -2.272 1.00 0.00 C ATOM 1061 O VAL A 62 2.330 9.988 -3.081 1.00 0.00 O ATOM 1062 CB VAL A 62 3.085 6.880 -3.141 1.00 0.00 C ATOM 1063 CG1 VAL A 62 2.885 7.439 -4.542 1.00 0.00 C ATOM 1064 CG2 VAL A 62 4.567 6.737 -2.834 1.00 0.00 C ATOM 0 H VAL A 62 0.594 7.888 -3.162 1.00 0.00 H new ATOM 0 HA VAL A 62 2.673 7.409 -1.111 1.00 0.00 H new ATOM 0 HB VAL A 62 2.626 5.893 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.374 6.788 -5.267 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.819 7.493 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.318 8.437 -4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.033 6.095 -3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.039 7.719 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.693 6.294 -1.846 1.00 0.00 H new ATOM 1074 N LYS A 63 3.879 9.660 -1.468 1.00 0.00 N ATOM 1075 CA LYS A 63 4.389 11.042 -1.496 1.00 0.00 C ATOM 1076 C LYS A 63 5.494 11.088 -2.536 1.00 0.00 C ATOM 1077 O LYS A 63 6.397 10.236 -2.521 1.00 0.00 O ATOM 1078 CB LYS A 63 4.906 11.488 -0.128 1.00 0.00 C ATOM 1079 CG LYS A 63 5.414 12.923 -0.084 1.00 0.00 C ATOM 1080 CD LYS A 63 6.009 13.258 1.274 1.00 0.00 C ATOM 1081 CE LYS A 63 6.401 14.727 1.361 1.00 0.00 C ATOM 1082 NZ LYS A 63 7.085 15.045 2.644 1.00 0.00 N ATOM 0 H LYS A 63 4.345 9.060 -0.787 1.00 0.00 H new ATOM 0 HA LYS A 63 3.584 11.731 -1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.105 11.376 0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.712 10.821 0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.167 13.068 -0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.595 13.608 -0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.287 13.025 2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.885 12.635 1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.058 14.977 0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.510 15.347 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.904 16.037 2.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.721 14.424 3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.109 14.896 2.538 1.00 0.00 H new ATOM 1096 N HIS A 64 5.411 12.056 -3.437 1.00 0.00 N ATOM 1097 CA HIS A 64 6.455 12.299 -4.426 1.00 0.00 C ATOM 1098 C HIS A 64 7.280 13.532 -4.057 1.00 0.00 C ATOM 1099 O HIS A 64 6.728 14.573 -3.677 1.00 0.00 O ATOM 1100 CB HIS A 64 5.850 12.470 -5.823 1.00 0.00 C ATOM 1101 CG HIS A 64 5.036 11.296 -6.272 1.00 0.00 C ATOM 1102 ND1 HIS A 64 5.607 10.113 -6.692 1.00 0.00 N ATOM 1103 CD2 HIS A 64 3.697 11.124 -6.370 1.00 0.00 C ATOM 1104 CE1 HIS A 64 4.652 9.262 -7.028 1.00 0.00 C ATOM 1105 NE2 HIS A 64 3.485 9.851 -6.841 1.00 0.00 N ATOM 0 H HIS A 64 4.619 12.696 -3.504 1.00 0.00 H new ATOM 0 HA HIS A 64 7.114 11.431 -4.435 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.222 13.361 -5.831 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.654 12.640 -6.540 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.937 11.851 -6.124 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.801 8.257 -7.393 1.00 0.00 H new ATOM 0 HE2 HIS A 64 2.573 9.429 -7.018 1.00 0.00 H new ATOM 1113 N SER A 65 8.605 13.395 -4.188 1.00 0.00 N ATOM 1114 CA SER A 65 9.562 14.463 -3.886 1.00 0.00 C ATOM 1115 C SER A 65 9.457 15.605 -4.917 1.00 0.00 C ATOM 1116 O SER A 65 9.182 16.754 -4.559 1.00 0.00 O ATOM 1117 CB SER A 65 10.972 13.905 -3.850 1.00 0.00 C ATOM 1118 OG SER A 65 11.161 13.023 -2.778 1.00 0.00 O ATOM 0 H SER A 65 9.045 12.533 -4.509 1.00 0.00 H new ATOM 0 HA SER A 65 9.322 14.873 -2.905 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.181 13.387 -4.786 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.685 14.726 -3.774 1.00 0.00 H new ATOM 0 HG SER A 65 12.081 12.684 -2.791 1.00 0.00 H new ATOM 1124 N ASP A 66 9.663 15.268 -6.201 1.00 0.00 N ATOM 1125 CA ASP A 66 9.614 16.243 -7.316 1.00 0.00 C ATOM 1126 C ASP A 66 8.203 16.341 -7.908 1.00 0.00 C ATOM 1127 O ASP A 66 7.323 15.536 -7.572 1.00 0.00 O ATOM 1128 CB ASP A 66 10.614 15.861 -8.411 1.00 0.00 C ATOM 1129 CG ASP A 66 11.074 17.027 -9.275 1.00 0.00 C ATOM 1130 OD1 ASP A 66 10.625 18.125 -9.046 1.00 0.00 O ATOM 1131 OD2 ASP A 66 11.984 16.843 -10.049 1.00 0.00 O ATOM 0 H ASP A 66 9.868 14.315 -6.500 1.00 0.00 H new ATOM 0 HA ASP A 66 9.885 17.219 -6.913 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.487 15.403 -7.946 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.161 15.105 -9.053 1.00 0.00 H new ATOM 1136 N ALA A 67 7.998 17.345 -8.784 1.00 0.00 N ATOM 1137 CA ALA A 67 6.737 17.554 -9.522 1.00 0.00 C ATOM 1138 C ALA A 67 6.838 17.002 -10.964 1.00 0.00 C ATOM 1139 O ALA A 67 5.833 16.558 -11.528 1.00 0.00 O ATOM 1140 CB ALA A 67 6.389 19.044 -9.518 1.00 0.00 C ATOM 0 H ALA A 67 8.711 18.041 -9.001 1.00 0.00 H new ATOM 0 HA ALA A 67 5.937 17.005 -9.026 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.458 19.202 -10.062 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.271 19.387 -8.490 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.190 19.606 -9.999 1.00 0.00 H new ATOM 1146 N ALA A 68 8.043 17.059 -11.563 1.00 0.00 N ATOM 1147 CA ALA A 68 8.306 16.495 -12.905 1.00 0.00 C ATOM 1148 C ALA A 68 8.423 14.953 -12.850 1.00 0.00 C ATOM 1149 O ALA A 68 7.731 14.234 -13.582 1.00 0.00 O ATOM 1150 CB ALA A 68 9.579 17.128 -13.496 1.00 0.00 C ATOM 0 H ALA A 68 8.859 17.495 -11.134 1.00 0.00 H new ATOM 0 HA ALA A 68 7.464 16.732 -13.555 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.768 16.709 -14.484 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.444 18.207 -13.578 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.427 16.917 -12.844 1.00 0.00 H new ATOM 1156 N GLU A 69 9.283 14.480 -11.924 1.00 0.00 N ATOM 1157 CA GLU A 69 9.674 13.052 -11.770 1.00 0.00 C ATOM 1158 C GLU A 69 8.505 12.170 -11.274 1.00 0.00 C ATOM 1159 O GLU A 69 8.460 10.968 -11.551 1.00 0.00 O ATOM 1160 CB GLU A 69 10.857 12.928 -10.807 1.00 0.00 C ATOM 1161 CG GLU A 69 12.174 13.457 -11.357 1.00 0.00 C ATOM 1162 CD GLU A 69 13.282 13.320 -10.350 1.00 0.00 C ATOM 1163 OE1 GLU A 69 13.012 12.889 -9.255 1.00 0.00 O ATOM 1164 OE2 GLU A 69 14.415 13.539 -10.708 1.00 0.00 O ATOM 0 H GLU A 69 9.738 15.089 -11.244 1.00 0.00 H new ATOM 0 HA GLU A 69 9.961 12.693 -12.758 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.620 13.464 -9.888 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.984 11.879 -10.540 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.436 12.913 -12.265 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.060 14.505 -11.635 1.00 0.00 H new ATOM 1171 N GLU A 70 7.579 12.795 -10.537 1.00 0.00 N ATOM 1172 CA GLU A 70 6.489 12.115 -9.825 1.00 0.00 C ATOM 1173 C GLU A 70 5.709 11.119 -10.697 1.00 0.00 C ATOM 1174 O GLU A 70 5.187 10.125 -10.194 1.00 0.00 O ATOM 1175 CB GLU A 70 5.526 13.151 -9.244 1.00 0.00 C ATOM 1176 CG GLU A 70 4.758 13.949 -10.289 1.00 0.00 C ATOM 1177 CD GLU A 70 3.833 14.944 -9.644 1.00 0.00 C ATOM 1178 OE1 GLU A 70 3.833 15.033 -8.440 1.00 0.00 O ATOM 1179 OE2 GLU A 70 3.208 15.694 -10.358 1.00 0.00 O ATOM 0 H GLU A 70 7.566 13.808 -10.416 1.00 0.00 H new ATOM 0 HA GLU A 70 6.956 11.533 -9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.812 12.643 -8.595 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.090 13.843 -8.618 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.460 14.470 -10.940 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.183 13.270 -10.919 1.00 0.00 H new ATOM 1186 N LYS A 71 5.612 11.427 -11.993 1.00 0.00 N ATOM 1187 CA LYS A 71 4.929 10.580 -12.981 1.00 0.00 C ATOM 1188 C LYS A 71 5.685 9.235 -13.121 1.00 0.00 C ATOM 1189 O LYS A 71 5.087 8.159 -13.096 1.00 0.00 O ATOM 1190 CB LYS A 71 4.834 11.291 -14.331 1.00 0.00 C ATOM 1191 CG LYS A 71 3.883 12.480 -14.351 1.00 0.00 C ATOM 1192 CD LYS A 71 3.845 13.138 -15.722 1.00 0.00 C ATOM 1193 CE LYS A 71 2.929 14.351 -15.731 1.00 0.00 C ATOM 1194 NZ LYS A 71 2.912 15.027 -17.057 1.00 0.00 N ATOM 0 H LYS A 71 6.008 12.278 -12.392 1.00 0.00 H new ATOM 0 HA LYS A 71 3.914 10.382 -12.638 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.828 11.632 -14.619 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.513 10.572 -15.085 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.881 12.151 -14.076 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.195 13.210 -13.604 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.852 13.439 -16.011 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.503 12.417 -16.464 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.917 14.043 -15.468 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.256 15.058 -14.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.275 15.849 -17.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.873 15.344 -17.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.576 14.361 -17.782 1.00 0.00 H new ATOM 1208 N LYS A 72 7.025 9.343 -13.233 1.00 0.00 N ATOM 1209 CA LYS A 72 7.944 8.196 -13.337 1.00 0.00 C ATOM 1210 C LYS A 72 7.985 7.426 -12.001 1.00 0.00 C ATOM 1211 O LYS A 72 8.006 6.199 -11.992 1.00 0.00 O ATOM 1212 CB LYS A 72 9.348 8.659 -13.731 1.00 0.00 C ATOM 1213 CG LYS A 72 9.463 9.178 -15.158 1.00 0.00 C ATOM 1214 CD LYS A 72 10.879 9.641 -15.466 1.00 0.00 C ATOM 1215 CE LYS A 72 10.984 10.202 -16.876 1.00 0.00 C ATOM 1216 NZ LYS A 72 12.356 10.693 -17.180 1.00 0.00 N ATOM 0 H LYS A 72 7.504 10.243 -13.254 1.00 0.00 H new ATOM 0 HA LYS A 72 7.576 7.528 -14.116 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.664 9.445 -13.045 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.041 7.827 -13.603 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.175 8.393 -15.857 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.768 10.005 -15.303 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.179 10.403 -14.746 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.570 8.805 -15.353 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.708 9.431 -17.595 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.272 11.019 -16.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.384 11.067 -18.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.611 11.447 -16.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.033 9.908 -17.092 1.00 0.00 H new ATOM 1230 N GLU A 73 7.982 8.184 -10.878 1.00 0.00 N ATOM 1231 CA GLU A 73 8.033 7.627 -9.502 1.00 0.00 C ATOM 1232 C GLU A 73 6.768 6.814 -9.164 1.00 0.00 C ATOM 1233 O GLU A 73 6.854 5.804 -8.468 1.00 0.00 O ATOM 1234 CB GLU A 73 8.218 8.749 -8.478 1.00 0.00 C ATOM 1235 CG GLU A 73 9.558 9.466 -8.567 1.00 0.00 C ATOM 1236 CD GLU A 73 10.703 8.505 -8.411 1.00 0.00 C ATOM 1237 OE1 GLU A 73 10.670 7.712 -7.501 1.00 0.00 O ATOM 1238 OE2 GLU A 73 11.558 8.487 -9.266 1.00 0.00 O ATOM 0 H GLU A 73 7.944 9.203 -10.900 1.00 0.00 H new ATOM 0 HA GLU A 73 8.887 6.951 -9.458 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.419 9.479 -8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.108 8.332 -7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.637 9.976 -9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.615 10.232 -7.793 1.00 0.00 H new ATOM 1245 N ALA A 74 5.608 7.259 -9.675 1.00 0.00 N ATOM 1246 CA ALA A 74 4.337 6.531 -9.533 1.00 0.00 C ATOM 1247 C ALA A 74 4.412 5.180 -10.263 1.00 0.00 C ATOM 1248 O ALA A 74 3.960 4.163 -9.735 1.00 0.00 O ATOM 1249 CB ALA A 74 3.173 7.373 -10.067 1.00 0.00 C ATOM 0 H ALA A 74 5.525 8.131 -10.197 1.00 0.00 H new ATOM 0 HA ALA A 74 4.161 6.341 -8.474 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.241 6.819 -9.954 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.111 8.305 -9.506 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.338 7.594 -11.121 1.00 0.00 H new ATOM 1255 N LYS A 75 5.001 5.200 -11.481 1.00 0.00 N ATOM 1256 CA LYS A 75 5.250 3.984 -12.287 1.00 0.00 C ATOM 1257 C LYS A 75 6.207 2.997 -11.568 1.00 0.00 C ATOM 1258 O LYS A 75 5.986 1.777 -11.576 1.00 0.00 O ATOM 1259 CB LYS A 75 5.821 4.363 -13.654 1.00 0.00 C ATOM 1260 CG LYS A 75 4.830 5.059 -14.578 1.00 0.00 C ATOM 1261 CD LYS A 75 5.475 5.425 -15.906 1.00 0.00 C ATOM 1262 CE LYS A 75 4.497 6.152 -16.817 1.00 0.00 C ATOM 1263 NZ LYS A 75 5.119 6.531 -18.113 1.00 0.00 N ATOM 0 H LYS A 75 5.316 6.059 -11.932 1.00 0.00 H new ATOM 0 HA LYS A 75 4.293 3.480 -12.420 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.682 5.015 -13.507 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.185 3.461 -14.145 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.974 4.407 -14.754 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.450 5.960 -14.095 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.346 6.056 -15.728 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.832 4.521 -16.400 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.632 5.515 -17.003 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.131 7.048 -16.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.419 7.024 -18.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.929 7.160 -17.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.445 5.675 -18.605 1.00 0.00 H new ATOM 1277 N LYS A 76 7.251 3.545 -10.931 1.00 0.00 N ATOM 1278 CA LYS A 76 8.247 2.765 -10.171 1.00 0.00 C ATOM 1279 C LYS A 76 7.554 2.069 -8.986 1.00 0.00 C ATOM 1280 O LYS A 76 7.664 0.855 -8.808 1.00 0.00 O ATOM 1281 CB LYS A 76 9.385 3.660 -9.677 1.00 0.00 C ATOM 1282 CG LYS A 76 10.309 4.167 -10.777 1.00 0.00 C ATOM 1283 CD LYS A 76 11.391 5.076 -10.214 1.00 0.00 C ATOM 1284 CE LYS A 76 12.215 5.710 -11.325 1.00 0.00 C ATOM 1285 NZ LYS A 76 13.230 6.659 -10.793 1.00 0.00 N ATOM 0 H LYS A 76 7.432 4.549 -10.926 1.00 0.00 H new ATOM 0 HA LYS A 76 8.681 2.012 -10.829 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.957 4.516 -9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.977 3.106 -8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.770 3.321 -11.286 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.727 4.709 -11.523 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.933 5.857 -9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.044 4.503 -9.556 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.714 4.928 -11.897 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.553 6.235 -12.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.723 7.119 -11.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.759 7.381 -10.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.918 6.141 -10.211 1.00 0.00 H new ATOM 1299 N PHE A 77 6.777 2.877 -8.236 1.00 0.00 N ATOM 1300 CA PHE A 77 6.109 2.463 -6.993 1.00 0.00 C ATOM 1301 C PHE A 77 4.968 1.478 -7.312 1.00 0.00 C ATOM 1302 O PHE A 77 4.647 0.612 -6.504 1.00 0.00 O ATOM 1303 CB PHE A 77 5.575 3.719 -6.243 1.00 0.00 C ATOM 1304 CG PHE A 77 5.447 3.565 -4.727 1.00 0.00 C ATOM 1305 CD1 PHE A 77 6.584 3.573 -3.916 1.00 0.00 C ATOM 1306 CD2 PHE A 77 4.203 3.406 -4.111 1.00 0.00 C ATOM 1307 CE1 PHE A 77 6.476 3.435 -2.547 1.00 0.00 C ATOM 1308 CE2 PHE A 77 4.102 3.271 -2.739 1.00 0.00 C ATOM 1309 CZ PHE A 77 5.239 3.277 -1.958 1.00 0.00 C ATOM 0 H PHE A 77 6.596 3.850 -8.484 1.00 0.00 H new ATOM 0 HA PHE A 77 6.823 1.954 -6.346 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.239 4.557 -6.452 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.597 3.977 -6.650 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.559 3.689 -4.365 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.308 3.388 -4.715 1.00 0.00 H new ATOM 0 HE1 PHE A 77 7.365 3.451 -1.934 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.132 3.161 -2.278 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.161 3.158 -0.887 1.00 0.00 H new ATOM 1319 N ALA A 78 4.369 1.642 -8.501 1.00 0.00 N ATOM 1320 CA ALA A 78 3.340 0.745 -9.029 1.00 0.00 C ATOM 1321 C ALA A 78 3.860 -0.691 -9.098 1.00 0.00 C ATOM 1322 O ALA A 78 3.159 -1.628 -8.713 1.00 0.00 O ATOM 1323 CB ALA A 78 2.899 1.214 -10.413 1.00 0.00 C ATOM 0 H ALA A 78 4.592 2.414 -9.129 1.00 0.00 H new ATOM 0 HA ALA A 78 2.482 0.767 -8.357 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.133 0.541 -10.798 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.493 2.223 -10.343 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.755 1.213 -11.087 1.00 0.00 H new ATOM 1329 N ALA A 79 5.104 -0.839 -9.593 1.00 0.00 N ATOM 1330 CA ALA A 79 5.796 -2.135 -9.660 1.00 0.00 C ATOM 1331 C ALA A 79 6.062 -2.675 -8.241 1.00 0.00 C ATOM 1332 O ALA A 79 5.887 -3.866 -7.978 1.00 0.00 O ATOM 1333 CB ALA A 79 7.106 -1.987 -10.449 1.00 0.00 C ATOM 0 H ALA A 79 5.655 -0.062 -9.957 1.00 0.00 H new ATOM 0 HA ALA A 79 5.161 -2.853 -10.178 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.614 -2.950 -10.495 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.885 -1.645 -11.460 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.750 -1.261 -9.953 1.00 0.00 H new ATOM 1339 N ILE A 80 6.445 -1.753 -7.334 1.00 0.00 N ATOM 1340 CA ILE A 80 6.750 -2.052 -5.922 1.00 0.00 C ATOM 1341 C ILE A 80 5.520 -2.644 -5.202 1.00 0.00 C ATOM 1342 O ILE A 80 5.592 -3.755 -4.670 1.00 0.00 O ATOM 1343 CB ILE A 80 7.222 -0.797 -5.166 1.00 0.00 C ATOM 1344 CG1 ILE A 80 8.515 -0.257 -5.783 1.00 0.00 C ATOM 1345 CG2 ILE A 80 7.421 -1.106 -3.691 1.00 0.00 C ATOM 1346 CD1 ILE A 80 9.693 -1.196 -5.651 1.00 0.00 C ATOM 0 H ILE A 80 6.552 -0.766 -7.567 1.00 0.00 H new ATOM 0 HA ILE A 80 7.556 -2.786 -5.923 1.00 0.00 H new ATOM 0 HB ILE A 80 6.452 -0.030 -5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.344 -0.050 -6.839 1.00 0.00 H new ATOM 0 HG13 ILE A 80 8.764 0.692 -5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.755 -0.207 -3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.479 -1.445 -3.260 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.172 -1.888 -3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.572 -0.744 -6.111 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.892 -1.384 -4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.465 -2.138 -6.150 1.00 0.00 H new ATOM 1358 N LEU A 81 4.382 -1.916 -5.255 1.00 0.00 N ATOM 1359 CA LEU A 81 3.123 -2.333 -4.600 1.00 0.00 C ATOM 1360 C LEU A 81 2.548 -3.575 -5.304 1.00 0.00 C ATOM 1361 O LEU A 81 2.013 -4.460 -4.644 1.00 0.00 O ATOM 1362 CB LEU A 81 2.102 -1.188 -4.611 1.00 0.00 C ATOM 1363 CG LEU A 81 2.350 -0.084 -3.575 1.00 0.00 C ATOM 1364 CD1 LEU A 81 1.347 1.046 -3.766 1.00 0.00 C ATOM 1365 CD2 LEU A 81 2.243 -0.668 -2.173 1.00 0.00 C ATOM 0 H LEU A 81 4.311 -1.027 -5.751 1.00 0.00 H new ATOM 0 HA LEU A 81 3.338 -2.586 -3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.095 -0.738 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.109 -1.606 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 81 3.352 0.323 -3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.531 1.825 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.456 1.464 -4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.335 0.659 -3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.419 0.117 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.246 -1.084 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.987 -1.455 -2.049 1.00 0.00 H new ATOM 1377 N ASN A 82 2.740 -3.640 -6.638 1.00 0.00 N ATOM 1378 CA ASN A 82 2.311 -4.780 -7.471 1.00 0.00 C ATOM 1379 C ASN A 82 2.938 -6.089 -6.965 1.00 0.00 C ATOM 1380 O ASN A 82 2.251 -7.108 -6.858 1.00 0.00 O ATOM 1381 CB ASN A 82 2.652 -4.566 -8.934 1.00 0.00 C ATOM 1382 CG ASN A 82 2.164 -5.665 -9.837 1.00 0.00 C ATOM 1383 OD1 ASN A 82 0.957 -5.896 -9.971 1.00 0.00 O ATOM 1384 ND2 ASN A 82 3.098 -6.394 -10.393 1.00 0.00 N ATOM 0 H ASN A 82 3.199 -2.900 -7.169 1.00 0.00 H new ATOM 0 HA ASN A 82 1.227 -4.853 -7.388 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.222 -3.620 -9.263 1.00 0.00 H new ATOM 0 HB3 ASN A 82 3.734 -4.477 -9.036 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.843 -7.196 -10.969 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.080 -6.160 -10.250 1.00 0.00 H new ATOM 1391 N LYS A 83 4.244 -6.021 -6.639 1.00 0.00 N ATOM 1392 CA LYS A 83 4.988 -7.155 -6.072 1.00 0.00 C ATOM 1393 C LYS A 83 4.520 -7.460 -4.639 1.00 0.00 C ATOM 1394 O LYS A 83 4.288 -8.618 -4.302 1.00 0.00 O ATOM 1395 CB LYS A 83 6.491 -6.871 -6.087 1.00 0.00 C ATOM 1396 CG LYS A 83 7.345 -7.973 -5.475 1.00 0.00 C ATOM 1397 CD LYS A 83 7.288 -9.245 -6.310 1.00 0.00 C ATOM 1398 CE LYS A 83 8.229 -10.308 -5.763 1.00 0.00 C ATOM 1399 NZ LYS A 83 8.185 -11.558 -6.570 1.00 0.00 N ATOM 0 H LYS A 83 4.808 -5.180 -6.762 1.00 0.00 H new ATOM 0 HA LYS A 83 4.789 -8.030 -6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.808 -6.712 -7.118 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.678 -5.942 -5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.378 -7.634 -5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.000 -8.184 -4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.268 -9.630 -6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.554 -9.017 -7.342 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.247 -9.920 -5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.961 -10.533 -4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.840 -12.256 -6.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.219 -11.943 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.465 -11.349 -7.549 1.00 0.00 H new ATOM 1413 N VAL A 84 4.314 -6.394 -3.841 1.00 0.00 N ATOM 1414 CA VAL A 84 3.916 -6.501 -2.425 1.00 0.00 C ATOM 1415 C VAL A 84 2.540 -7.187 -2.289 1.00 0.00 C ATOM 1416 O VAL A 84 2.413 -8.189 -1.582 1.00 0.00 O ATOM 1417 CB VAL A 84 3.862 -5.119 -1.746 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.172 -5.218 -0.394 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.263 -4.549 -1.588 1.00 0.00 C ATOM 0 H VAL A 84 4.420 -5.432 -4.162 1.00 0.00 H new ATOM 0 HA VAL A 84 4.673 -7.107 -1.927 1.00 0.00 H new ATOM 0 HB VAL A 84 3.285 -4.445 -2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.142 -4.233 0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.155 -5.586 -0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.724 -5.906 0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.206 -3.573 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.862 -5.222 -0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.726 -4.444 -2.569 1.00 0.00 H new ATOM 1429 N PHE A 85 1.547 -6.657 -3.032 1.00 0.00 N ATOM 1430 CA PHE A 85 0.155 -7.150 -3.004 1.00 0.00 C ATOM 1431 C PHE A 85 0.052 -8.569 -3.606 1.00 0.00 C ATOM 1432 O PHE A 85 -0.693 -9.403 -3.093 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.767 -6.190 -3.760 1.00 0.00 C ATOM 1434 CG PHE A 85 -1.183 -4.993 -2.956 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -1.943 -5.141 -1.806 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -0.817 -3.713 -3.348 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -2.329 -4.040 -1.065 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -1.199 -2.610 -2.608 1.00 0.00 C ATOM 1439 CZ PHE A 85 -1.956 -2.773 -1.467 1.00 0.00 C ATOM 0 H PHE A 85 1.688 -5.873 -3.670 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.161 -7.199 -1.962 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.261 -5.851 -4.664 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.658 -6.731 -4.077 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.237 -6.129 -1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.227 -3.577 -4.242 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.922 -4.171 -0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.904 -1.620 -2.924 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.256 -1.911 -0.889 1.00 0.00 H new ATOM 1449 N ALA A 86 0.872 -8.846 -4.635 1.00 0.00 N ATOM 1450 CA ALA A 86 0.960 -10.184 -5.260 1.00 0.00 C ATOM 1451 C ALA A 86 1.488 -11.247 -4.266 1.00 0.00 C ATOM 1452 O ALA A 86 1.066 -12.410 -4.306 1.00 0.00 O ATOM 1453 CB ALA A 86 1.849 -10.122 -6.510 1.00 0.00 C ATOM 0 H ALA A 86 1.491 -8.154 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.046 -10.486 -5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.908 -11.111 -6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.422 -9.419 -7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.849 -9.791 -6.229 1.00 0.00 H new ATOM 1459 N GLU A 87 2.383 -10.815 -3.350 1.00 0.00 N ATOM 1460 CA GLU A 87 2.966 -11.679 -2.298 1.00 0.00 C ATOM 1461 C GLU A 87 2.004 -11.851 -1.097 1.00 0.00 C ATOM 1462 O GLU A 87 2.177 -12.770 -0.290 1.00 0.00 O ATOM 1463 CB GLU A 87 4.302 -11.107 -1.818 1.00 0.00 C ATOM 1464 CG GLU A 87 5.427 -11.196 -2.840 1.00 0.00 C ATOM 1465 CD GLU A 87 5.742 -12.626 -3.181 1.00 0.00 C ATOM 1466 OE1 GLU A 87 6.030 -13.382 -2.284 1.00 0.00 O ATOM 1467 OE2 GLU A 87 5.587 -12.992 -4.323 1.00 0.00 O ATOM 0 H GLU A 87 2.723 -9.854 -3.319 1.00 0.00 H new ATOM 0 HA GLU A 87 3.131 -12.662 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.158 -10.062 -1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.606 -11.635 -0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.143 -10.658 -3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.319 -10.709 -2.446 1.00 0.00 H new ATOM 1474 N LEU A 88 0.984 -10.973 -0.989 1.00 0.00 N ATOM 1475 CA LEU A 88 0.079 -10.912 0.188 1.00 0.00 C ATOM 1476 C LEU A 88 -1.267 -11.599 -0.127 1.00 0.00 C ATOM 1477 O LEU A 88 -2.095 -11.815 0.769 1.00 0.00 O ATOM 1478 CB LEU A 88 -0.151 -9.457 0.615 1.00 0.00 C ATOM 1479 CG LEU A 88 1.082 -8.740 1.179 1.00 0.00 C ATOM 1480 CD1 LEU A 88 0.765 -7.272 1.430 1.00 0.00 C ATOM 1481 CD2 LEU A 88 1.525 -9.423 2.466 1.00 0.00 C ATOM 0 H LEU A 88 0.762 -10.287 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 88 0.553 -11.444 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.516 -8.896 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.940 -9.436 1.367 1.00 0.00 H new ATOM 0 HG LEU A 88 1.895 -8.794 0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.647 -6.773 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.473 -6.797 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.053 -7.194 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.401 -8.913 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.717 -9.382 3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.775 -10.464 2.258 1.00 0.00 H new ATOM 1493 N GLY A 89 -1.472 -11.937 -1.413 1.00 0.00 N ATOM 1494 CA GLY A 89 -2.626 -12.727 -1.856 1.00 0.00 C ATOM 1495 C GLY A 89 -3.620 -11.937 -2.696 1.00 0.00 C ATOM 1496 O GLY A 89 -4.759 -12.374 -2.881 1.00 0.00 O ATOM 0 H GLY A 89 -0.842 -11.669 -2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.271 -13.580 -2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.139 -13.127 -0.981 1.00 0.00 H new ATOM 1500 N TYR A 90 -3.201 -10.765 -3.189 1.00 0.00 N ATOM 1501 CA TYR A 90 -4.011 -9.937 -4.096 1.00 0.00 C ATOM 1502 C TYR A 90 -3.552 -10.174 -5.543 1.00 0.00 C ATOM 1503 O TYR A 90 -2.349 -10.284 -5.814 1.00 0.00 O ATOM 1504 CB TYR A 90 -3.901 -8.456 -3.733 1.00 0.00 C ATOM 1505 CG TYR A 90 -4.554 -8.097 -2.416 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -5.911 -7.825 -2.346 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -3.810 -8.030 -1.246 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -6.514 -7.497 -1.146 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -4.400 -7.703 -0.042 1.00 0.00 C ATOM 1510 CZ TYR A 90 -5.754 -7.436 0.005 1.00 0.00 C ATOM 1511 OH TYR A 90 -6.348 -7.110 1.201 1.00 0.00 O ATOM 0 H TYR A 90 -2.290 -10.362 -2.971 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.058 -10.223 -3.996 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.847 -8.179 -3.692 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.356 -7.863 -4.526 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.508 -7.870 -3.245 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.751 -8.237 -1.278 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -7.573 -7.290 -1.109 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.806 -7.656 0.859 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.674 -7.112 1.912 1.00 0.00 H new ATOM 1521 N ASN A 91 -4.527 -10.237 -6.448 1.00 0.00 N ATOM 1522 CA ASN A 91 -4.312 -10.449 -7.891 1.00 0.00 C ATOM 1523 C ASN A 91 -4.260 -9.081 -8.616 1.00 0.00 C ATOM 1524 O ASN A 91 -4.604 -8.048 -8.026 1.00 0.00 O ATOM 1525 CB ASN A 91 -5.383 -11.338 -8.496 1.00 0.00 C ATOM 1526 CG ASN A 91 -5.307 -12.770 -8.043 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -4.233 -13.280 -7.706 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -6.428 -13.442 -8.113 1.00 0.00 N ATOM 0 H ASN A 91 -5.512 -10.141 -6.200 1.00 0.00 H new ATOM 0 HA ASN A 91 -3.360 -10.963 -8.022 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.363 -10.937 -8.240 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.299 -11.305 -9.582 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -6.442 -14.436 -7.883 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.287 -12.972 -8.397 1.00 0.00 H new ATOM 1535 N ASP A 92 -3.809 -9.083 -9.884 1.00 0.00 N ATOM 1536 CA ASP A 92 -3.742 -7.876 -10.747 1.00 0.00 C ATOM 1537 C ASP A 92 -5.124 -7.197 -10.877 1.00 0.00 C ATOM 1538 O ASP A 92 -5.222 -5.965 -10.935 1.00 0.00 O ATOM 1539 CB ASP A 92 -3.206 -8.236 -12.135 1.00 0.00 C ATOM 1540 CG ASP A 92 -1.718 -8.558 -12.170 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -1.052 -8.300 -11.197 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -1.292 -9.199 -13.101 1.00 0.00 O ATOM 0 H ASP A 92 -3.476 -9.928 -10.348 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.059 -7.171 -10.272 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.760 -9.095 -12.514 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.402 -7.406 -12.813 1.00 0.00 H new ATOM 1547 N SER A 93 -6.182 -8.028 -10.873 1.00 0.00 N ATOM 1548 CA SER A 93 -7.586 -7.581 -10.969 1.00 0.00 C ATOM 1549 C SER A 93 -8.106 -6.956 -9.640 1.00 0.00 C ATOM 1550 O SER A 93 -9.244 -6.471 -9.576 1.00 0.00 O ATOM 1551 CB SER A 93 -8.462 -8.748 -11.379 1.00 0.00 C ATOM 1552 OG SER A 93 -8.516 -9.740 -10.390 1.00 0.00 O ATOM 0 H SER A 93 -6.086 -9.041 -10.802 1.00 0.00 H new ATOM 0 HA SER A 93 -7.632 -6.797 -11.725 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.470 -8.389 -11.587 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.080 -9.180 -12.304 1.00 0.00 H new ATOM 0 HG SER A 93 -9.092 -10.473 -10.693 1.00 0.00 H new ATOM 1558 N ASN A 94 -7.277 -6.972 -8.570 1.00 0.00 N ATOM 1559 CA ASN A 94 -7.652 -6.429 -7.240 1.00 0.00 C ATOM 1560 C ASN A 94 -7.104 -4.998 -7.061 1.00 0.00 C ATOM 1561 O ASN A 94 -7.570 -4.257 -6.195 1.00 0.00 O ATOM 1562 CB ASN A 94 -7.168 -7.321 -6.113 1.00 0.00 C ATOM 1563 CG ASN A 94 -7.818 -8.677 -6.092 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -7.257 -9.664 -6.580 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -9.032 -8.714 -5.602 1.00 0.00 N ATOM 0 H ASN A 94 -6.334 -7.359 -8.602 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.741 -6.398 -7.197 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.089 -7.447 -6.199 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.356 -6.823 -5.162 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.560 -9.587 -5.612 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.450 -7.870 -5.210 1.00 0.00 H new ATOM 1572 N VAL A 95 -6.116 -4.618 -7.896 1.00 0.00 N ATOM 1573 CA VAL A 95 -5.353 -3.355 -7.757 1.00 0.00 C ATOM 1574 C VAL A 95 -5.660 -2.405 -8.942 1.00 0.00 C ATOM 1575 O VAL A 95 -5.499 -2.794 -10.099 1.00 0.00 O ATOM 1576 CB VAL A 95 -3.835 -3.610 -7.689 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -3.080 -2.297 -7.550 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -3.502 -4.540 -6.533 1.00 0.00 C ATOM 0 H VAL A 95 -5.821 -5.182 -8.693 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.666 -2.890 -6.822 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.525 -4.090 -8.617 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.009 -2.496 -7.503 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.294 -1.662 -8.409 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.395 -1.791 -6.637 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.426 -4.709 -6.500 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.827 -4.087 -5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.015 -5.492 -6.672 1.00 0.00 H new ATOM 1588 N THR A 96 -6.165 -1.191 -8.639 1.00 0.00 N ATOM 1589 CA THR A 96 -6.489 -0.153 -9.647 1.00 0.00 C ATOM 1590 C THR A 96 -5.790 1.169 -9.270 1.00 0.00 C ATOM 1591 O THR A 96 -6.013 1.685 -8.180 1.00 0.00 O ATOM 1592 CB THR A 96 -8.005 0.088 -9.767 1.00 0.00 C ATOM 1593 OG1 THR A 96 -8.656 -1.132 -10.148 1.00 0.00 O ATOM 1594 CG2 THR A 96 -8.295 1.158 -10.808 1.00 0.00 C ATOM 0 H THR A 96 -6.362 -0.899 -7.682 1.00 0.00 H new ATOM 0 HA THR A 96 -6.132 -0.511 -10.613 1.00 0.00 H new ATOM 0 HB THR A 96 -8.382 0.424 -8.801 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.621 -0.978 -10.223 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.371 1.315 -10.879 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.811 2.090 -10.516 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.911 0.837 -11.776 1.00 0.00 H new ATOM 1602 N TRP A 97 -4.957 1.706 -10.181 1.00 0.00 N ATOM 1603 CA TRP A 97 -4.248 2.989 -9.977 1.00 0.00 C ATOM 1604 C TRP A 97 -5.051 4.181 -10.532 1.00 0.00 C ATOM 1605 O TRP A 97 -5.578 4.140 -11.650 1.00 0.00 O ATOM 1606 CB TRP A 97 -2.825 2.965 -10.613 1.00 0.00 C ATOM 1607 CG TRP A 97 -1.769 2.328 -9.745 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -1.378 1.021 -9.732 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -0.969 2.993 -8.753 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -0.393 0.835 -8.798 1.00 0.00 N ATOM 1611 CE2 TRP A 97 -0.122 2.033 -8.186 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -0.892 4.316 -8.295 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 0.797 2.346 -7.185 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 0.018 4.625 -7.298 1.00 0.00 C ATOM 1615 CH2 TRP A 97 0.853 3.642 -6.753 1.00 0.00 C ATOM 0 H TRP A 97 -4.755 1.266 -11.079 1.00 0.00 H new ATOM 0 HA TRP A 97 -4.144 3.118 -8.900 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -2.872 2.429 -11.561 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -2.524 3.988 -10.840 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -1.785 0.247 -10.365 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.066 -0.052 -8.591 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.531 5.080 -8.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.443 1.590 -6.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.085 5.640 -6.935 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.554 3.912 -5.977 1.00 0.00 H new ATOM 1626 N ASP A 98 -5.123 5.232 -9.708 1.00 0.00 N ATOM 1627 CA ASP A 98 -5.652 6.554 -10.074 1.00 0.00 C ATOM 1628 C ASP A 98 -4.648 7.615 -9.567 1.00 0.00 C ATOM 1629 O ASP A 98 -4.650 7.991 -8.385 1.00 0.00 O ATOM 1630 CB ASP A 98 -7.043 6.785 -9.480 1.00 0.00 C ATOM 1631 CG ASP A 98 -7.688 8.106 -9.878 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -7.049 8.874 -10.558 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -8.859 8.269 -9.636 1.00 0.00 O ATOM 0 H ASP A 98 -4.806 5.187 -8.740 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.764 6.624 -11.156 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.696 5.969 -9.789 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.972 6.743 -8.393 1.00 0.00 H new ATOM 1638 N GLY A 99 -3.730 8.003 -10.469 1.00 0.00 N ATOM 1639 CA GLY A 99 -2.694 9.001 -10.194 1.00 0.00 C ATOM 1640 C GLY A 99 -1.682 8.559 -9.135 1.00 0.00 C ATOM 1641 O GLY A 99 -1.071 7.498 -9.265 1.00 0.00 O ATOM 0 H GLY A 99 -3.690 7.627 -11.416 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.164 9.226 -11.119 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.170 9.925 -9.866 1.00 0.00 H new ATOM 1645 N ASP A 100 -1.538 9.371 -8.073 1.00 0.00 N ATOM 1646 CA ASP A 100 -0.611 9.094 -6.942 1.00 0.00 C ATOM 1647 C ASP A 100 -1.254 8.194 -5.880 1.00 0.00 C ATOM 1648 O ASP A 100 -0.642 7.909 -4.840 1.00 0.00 O ATOM 1649 CB ASP A 100 -0.146 10.400 -6.296 1.00 0.00 C ATOM 1650 CG ASP A 100 -1.250 11.189 -5.605 1.00 0.00 C ATOM 1651 OD1 ASP A 100 -2.369 10.734 -5.608 1.00 0.00 O ATOM 1652 OD2 ASP A 100 -0.941 12.155 -4.949 1.00 0.00 O ATOM 0 H ASP A 100 -2.059 10.242 -7.967 1.00 0.00 H new ATOM 0 HA ASP A 100 0.249 8.566 -7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.632 10.174 -5.567 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.308 11.029 -7.062 1.00 0.00 H new ATOM 1657 N THR A 101 -2.488 7.759 -6.149 1.00 0.00 N ATOM 1658 CA THR A 101 -3.294 6.974 -5.207 1.00 0.00 C ATOM 1659 C THR A 101 -3.759 5.665 -5.866 1.00 0.00 C ATOM 1660 O THR A 101 -4.291 5.693 -6.970 1.00 0.00 O ATOM 1661 CB THR A 101 -4.523 7.761 -4.715 1.00 0.00 C ATOM 1662 OG1 THR A 101 -4.095 8.977 -4.086 1.00 0.00 O ATOM 1663 CG2 THR A 101 -5.322 6.934 -3.718 1.00 0.00 C ATOM 0 H THR A 101 -2.961 7.943 -7.034 1.00 0.00 H new ATOM 0 HA THR A 101 -2.663 6.751 -4.347 1.00 0.00 H new ATOM 0 HB THR A 101 -5.156 7.990 -5.572 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.571 9.508 -4.722 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.187 7.506 -3.381 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.659 6.014 -4.196 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.693 6.689 -2.862 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.574 4.522 -5.180 1.00 0.00 N ATOM 1672 CA VAL A 102 -4.025 3.216 -5.685 1.00 0.00 C ATOM 1673 C VAL A 102 -5.159 2.674 -4.776 1.00 0.00 C ATOM 1674 O VAL A 102 -5.092 2.781 -3.544 1.00 0.00 O ATOM 1675 CB VAL A 102 -2.872 2.197 -5.743 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -2.309 1.950 -4.352 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -3.347 0.892 -6.364 1.00 0.00 C ATOM 0 H VAL A 102 -3.113 4.479 -4.271 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.394 3.357 -6.701 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.079 2.608 -6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.495 1.227 -4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.933 2.887 -3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -3.095 1.559 -3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.520 0.183 -6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.157 0.477 -5.764 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.705 1.080 -7.376 1.00 0.00 H new ATOM 1687 N THR A 103 -6.211 2.144 -5.404 1.00 0.00 N ATOM 1688 CA THR A 103 -7.372 1.552 -4.733 1.00 0.00 C ATOM 1689 C THR A 103 -7.310 0.025 -4.918 1.00 0.00 C ATOM 1690 O THR A 103 -7.238 -0.467 -6.051 1.00 0.00 O ATOM 1691 CB THR A 103 -8.703 2.094 -5.284 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.765 3.512 -5.085 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.880 1.437 -4.580 1.00 0.00 C ATOM 0 H THR A 103 -6.281 2.114 -6.421 1.00 0.00 H new ATOM 0 HA THR A 103 -7.335 1.818 -3.677 1.00 0.00 H new ATOM 0 HB THR A 103 -8.756 1.866 -6.349 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.612 3.855 -5.438 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.812 1.833 -4.983 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.844 0.359 -4.740 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.828 1.647 -3.512 1.00 0.00 H new ATOM 1701 N VAL A 104 -7.274 -0.712 -3.803 1.00 0.00 N ATOM 1702 CA VAL A 104 -7.121 -2.173 -3.792 1.00 0.00 C ATOM 1703 C VAL A 104 -8.304 -2.775 -3.035 1.00 0.00 C ATOM 1704 O VAL A 104 -8.572 -2.389 -1.903 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.802 -2.621 -3.135 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.693 -4.138 -3.137 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.611 -2.003 -3.854 1.00 0.00 C ATOM 0 H VAL A 104 -7.351 -0.307 -2.870 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.096 -2.523 -4.824 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.799 -2.276 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.755 -4.436 -2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.528 -4.563 -2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.718 -4.503 -4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.688 -2.330 -3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.612 -2.319 -4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.680 -0.916 -3.804 1.00 0.00 H new ATOM 1717 N GLU A 105 -9.032 -3.696 -3.671 1.00 0.00 N ATOM 1718 CA GLU A 105 -10.221 -4.319 -3.075 1.00 0.00 C ATOM 1719 C GLU A 105 -10.130 -5.838 -3.191 1.00 0.00 C ATOM 1720 O GLU A 105 -9.594 -6.363 -4.168 1.00 0.00 O ATOM 1721 CB GLU A 105 -11.500 -3.814 -3.746 1.00 0.00 C ATOM 1722 CG GLU A 105 -11.746 -2.320 -3.584 1.00 0.00 C ATOM 1723 CD GLU A 105 -12.960 -1.879 -4.354 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -13.535 -2.694 -5.035 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -13.379 -0.760 -4.175 1.00 0.00 O ATOM 0 H GLU A 105 -8.817 -4.031 -4.610 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.259 -4.043 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.456 -4.050 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.351 -4.357 -3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.877 -2.083 -2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.873 -1.766 -3.929 1.00 0.00 H new ATOM 1732 N GLY A 106 -10.633 -6.531 -2.165 1.00 0.00 N ATOM 1733 CA GLY A 106 -10.667 -7.989 -2.144 1.00 0.00 C ATOM 1734 C GLY A 106 -11.081 -8.505 -0.776 1.00 0.00 C ATOM 1735 O GLY A 106 -11.368 -7.702 0.126 1.00 0.00 O ATOM 0 H GLY A 106 -11.026 -6.095 -1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.365 -8.351 -2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -9.684 -8.383 -2.403 1.00 0.00 H new ATOM 1739 N GLN A 107 -11.103 -9.841 -0.624 1.00 0.00 N ATOM 1740 CA GLN A 107 -11.457 -10.513 0.639 1.00 0.00 C ATOM 1741 C GLN A 107 -10.305 -10.457 1.677 1.00 0.00 C ATOM 1742 O GLN A 107 -9.127 -10.582 1.328 1.00 0.00 O ATOM 1743 CB GLN A 107 -11.836 -11.972 0.369 1.00 0.00 C ATOM 1744 CG GLN A 107 -12.215 -12.757 1.612 1.00 0.00 C ATOM 1745 CD GLN A 107 -12.707 -14.154 1.287 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -12.878 -14.511 0.118 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -12.942 -14.954 2.321 1.00 0.00 N ATOM 0 H GLN A 107 -10.874 -10.489 -1.378 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.309 -9.979 1.061 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.672 -11.995 -0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -10.998 -12.469 -0.119 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -11.351 -12.824 2.273 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.992 -12.219 2.155 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.787 -14.618 3.271 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -13.277 -15.905 2.165 1.00 0.00 H new