USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 945 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 Single : A 5 GLN : amide:sc= -1.62 X(o=-1.6,f=-1.3) USER MOD Single : A 13 ASN : amide:sc= -5.21! C(o=-5.2!,f=-6.8!) USER MOD Single : A 15 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.27) USER MOD Single : A 16 ASN :FLIP amide:sc= -1.03! C(o=-3!,f=-1!) USER MOD Single : A 21 THR OG1 : rot -160:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 32 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0658) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 160:sc= -0.0171 (180deg=-0.344) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0232 X(o=-0.023,f=-0.13) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.359 K(o=-0.36,f=-3.9!) USER MOD Single : A 64 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.016) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 30:sc= -1.46 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.969 F(o=-2.4!,f=-0.97) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 97 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00812) USER MOD Single : A 100 GLN : amide:sc= -2.1! C(o=-2.1!,f=-6.6!) USER MOD Single : A 105 MET CE :methyl -136:sc= -2.87 (180deg=-7.49!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN :FLIP amide:sc= -4.45! C(o=-8.2!,f=-4.4!) USER MOD Single : A 119 ASN : amide:sc= -3.26! C(o=-3.3!,f=-6.3!) USER MOD Single : A 125 LYS NZ :NH3+ -144:sc= -0.06 (180deg=-1.61!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LEU A 4 13.780 9.839 4.251 1.00 0.00 N ATOM 65 CA LEU A 4 13.446 8.439 4.635 1.00 0.00 C ATOM 66 C LEU A 4 12.425 7.869 3.648 1.00 0.00 C ATOM 67 O LEU A 4 12.043 8.516 2.693 1.00 0.00 O ATOM 68 CB LEU A 4 12.862 8.421 6.050 1.00 0.00 C ATOM 69 CG LEU A 4 11.613 9.303 6.103 1.00 0.00 C ATOM 70 CD1 LEU A 4 10.397 8.447 6.463 1.00 0.00 C ATOM 71 CD2 LEU A 4 11.799 10.390 7.164 1.00 0.00 C ATOM 0 HA LEU A 4 14.350 7.830 4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.611 7.400 6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 4 13.603 8.780 6.764 1.00 0.00 H new ATOM 0 HG LEU A 4 11.457 9.767 5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.508 9.076 6.501 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.262 7.672 5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.554 7.983 7.436 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.909 11.018 7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.956 9.925 8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 4 12.664 11.002 6.910 1.00 0.00 H new ATOM 83 N GLN A 5 11.983 6.662 3.869 1.00 0.00 N ATOM 84 CA GLN A 5 10.989 6.049 2.940 1.00 0.00 C ATOM 85 C GLN A 5 10.152 5.018 3.700 1.00 0.00 C ATOM 86 O GLN A 5 10.546 4.529 4.739 1.00 0.00 O ATOM 87 CB GLN A 5 11.710 5.359 1.774 1.00 0.00 C ATOM 88 CG GLN A 5 13.168 5.060 2.148 1.00 0.00 C ATOM 89 CD GLN A 5 13.955 4.700 0.886 1.00 0.00 C ATOM 90 OE1 GLN A 5 14.378 5.571 0.150 1.00 0.00 O ATOM 91 NE2 GLN A 5 14.169 3.446 0.601 1.00 0.00 N ATOM 0 H GLN A 5 12.266 6.073 4.652 1.00 0.00 H new ATOM 0 HA GLN A 5 10.342 6.832 2.545 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.196 4.432 1.518 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.678 5.996 0.890 1.00 0.00 H new ATOM 0 HG2 GLN A 5 13.615 5.927 2.633 1.00 0.00 H new ATOM 0 HG3 GLN A 5 13.210 4.238 2.863 1.00 0.00 H new ATOM 0 HE21 GLN A 5 13.815 2.715 1.218 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.691 3.196 -0.239 1.00 0.00 H new ATOM 100 N ILE A 6 8.996 4.686 3.191 1.00 0.00 N ATOM 101 CA ILE A 6 8.132 3.695 3.880 1.00 0.00 C ATOM 102 C ILE A 6 7.953 2.466 2.982 1.00 0.00 C ATOM 103 O ILE A 6 8.303 2.482 1.818 1.00 0.00 O ATOM 104 CB ILE A 6 6.774 4.339 4.159 1.00 0.00 C ATOM 105 CG1 ILE A 6 6.911 5.329 5.317 1.00 0.00 C ATOM 106 CG2 ILE A 6 5.761 3.260 4.527 1.00 0.00 C ATOM 107 CD1 ILE A 6 7.521 4.620 6.528 1.00 0.00 C ATOM 0 H ILE A 6 8.615 5.063 2.323 1.00 0.00 H new ATOM 0 HA ILE A 6 8.590 3.384 4.819 1.00 0.00 H new ATOM 0 HB ILE A 6 6.431 4.865 3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.540 6.168 5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.935 5.739 5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.794 3.722 4.725 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.664 2.555 3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.100 2.731 5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.618 5.326 7.352 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.875 3.796 6.831 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.505 4.232 6.265 1.00 0.00 H new ATOM 119 N ALA A 7 7.417 1.398 3.511 1.00 0.00 N ATOM 120 CA ALA A 7 7.225 0.173 2.683 1.00 0.00 C ATOM 121 C ALA A 7 5.760 -0.279 2.739 1.00 0.00 C ATOM 122 O ALA A 7 5.262 -0.673 3.775 1.00 0.00 O ATOM 123 CB ALA A 7 8.122 -0.945 3.218 1.00 0.00 C ATOM 0 H ALA A 7 7.105 1.322 4.479 1.00 0.00 H new ATOM 0 HA ALA A 7 7.488 0.397 1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.984 -1.842 2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.164 -0.631 3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.857 -1.160 4.253 1.00 0.00 H new ATOM 129 N VAL A 8 5.075 -0.238 1.628 1.00 0.00 N ATOM 130 CA VAL A 8 3.648 -0.680 1.601 1.00 0.00 C ATOM 131 C VAL A 8 3.464 -1.669 0.455 1.00 0.00 C ATOM 132 O VAL A 8 4.088 -1.557 -0.581 1.00 0.00 O ATOM 133 CB VAL A 8 2.733 0.523 1.368 1.00 0.00 C ATOM 134 CG1 VAL A 8 3.172 1.244 0.101 1.00 0.00 C ATOM 135 CG2 VAL A 8 1.289 0.051 1.182 1.00 0.00 C ATOM 0 H VAL A 8 5.443 0.084 0.733 1.00 0.00 H new ATOM 0 HA VAL A 8 3.394 -1.146 2.553 1.00 0.00 H new ATOM 0 HB VAL A 8 2.794 1.190 2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.524 2.103 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.202 1.583 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.105 0.563 -0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.643 0.913 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.232 -0.616 0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.962 -0.481 2.075 1.00 0.00 H new ATOM 145 N GLY A 9 2.608 -2.633 0.625 1.00 0.00 N ATOM 146 CA GLY A 9 2.388 -3.620 -0.466 1.00 0.00 C ATOM 147 C GLY A 9 0.891 -3.824 -0.667 1.00 0.00 C ATOM 148 O GLY A 9 0.211 -4.379 0.174 1.00 0.00 O ATOM 0 H GLY A 9 2.053 -2.781 1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.846 -3.266 -1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.865 -4.568 -0.216 1.00 0.00 H new ATOM 152 N ILE A 10 0.372 -3.399 -1.782 1.00 0.00 N ATOM 153 CA ILE A 10 -1.071 -3.590 -2.038 1.00 0.00 C ATOM 154 C ILE A 10 -1.228 -4.883 -2.832 1.00 0.00 C ATOM 155 O ILE A 10 -0.268 -5.388 -3.382 1.00 0.00 O ATOM 156 CB ILE A 10 -1.627 -2.415 -2.839 1.00 0.00 C ATOM 157 CG1 ILE A 10 -0.752 -1.159 -2.662 1.00 0.00 C ATOM 158 CG2 ILE A 10 -3.038 -2.113 -2.346 1.00 0.00 C ATOM 159 CD1 ILE A 10 -1.223 -0.083 -3.638 1.00 0.00 C ATOM 0 H ILE A 10 0.888 -2.928 -2.525 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.620 -3.645 -1.098 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.634 -2.682 -3.896 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.821 -0.794 -1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.295 -1.401 -2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.449 -1.275 -2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.669 -2.990 -2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.006 -1.857 -1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.609 0.810 -3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.132 -0.453 -4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.265 0.163 -3.433 1.00 0.00 H new ATOM 171 N ILE A 11 -2.398 -5.454 -2.880 1.00 0.00 N ATOM 172 CA ILE A 11 -2.527 -6.738 -3.621 1.00 0.00 C ATOM 173 C ILE A 11 -3.886 -6.872 -4.302 1.00 0.00 C ATOM 174 O ILE A 11 -4.919 -6.604 -3.734 1.00 0.00 O ATOM 175 CB ILE A 11 -2.334 -7.880 -2.631 1.00 0.00 C ATOM 176 CG1 ILE A 11 -1.274 -7.448 -1.618 1.00 0.00 C ATOM 177 CG2 ILE A 11 -1.872 -9.136 -3.374 1.00 0.00 C ATOM 178 CD1 ILE A 11 -0.826 -8.626 -0.755 1.00 0.00 C ATOM 0 H ILE A 11 -3.252 -5.098 -2.450 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.770 -6.767 -4.405 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.270 -8.108 -2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.415 -7.030 -2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.675 -6.659 -0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.735 -9.950 -2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.624 -9.420 -4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.928 -8.933 -3.879 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.072 -8.290 -0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.683 -9.027 -0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.403 -9.403 -1.392 1.00 0.00 H new ATOM 190 N ARG A 12 -3.874 -7.318 -5.520 1.00 0.00 N ATOM 191 CA ARG A 12 -5.145 -7.516 -6.275 1.00 0.00 C ATOM 192 C ARG A 12 -5.169 -8.948 -6.813 1.00 0.00 C ATOM 193 O ARG A 12 -4.209 -9.406 -7.395 1.00 0.00 O ATOM 194 CB ARG A 12 -5.213 -6.525 -7.438 1.00 0.00 C ATOM 195 CG ARG A 12 -6.368 -6.906 -8.364 1.00 0.00 C ATOM 196 CD ARG A 12 -6.379 -5.971 -9.574 1.00 0.00 C ATOM 197 NE ARG A 12 -5.135 -6.174 -10.369 1.00 0.00 N ATOM 198 CZ ARG A 12 -5.062 -5.724 -11.592 1.00 0.00 C ATOM 199 NH1 ARG A 12 -5.128 -4.441 -11.820 1.00 0.00 N ATOM 200 NH2 ARG A 12 -4.919 -6.557 -12.586 1.00 0.00 N ATOM 0 H ARG A 12 -3.028 -7.559 -6.036 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.000 -7.348 -5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.355 -5.513 -7.060 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.273 -6.530 -7.990 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.261 -7.940 -8.691 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.315 -6.838 -7.829 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.255 -6.169 -10.192 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.448 -4.934 -9.245 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.341 -6.664 -9.958 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.237 -3.790 -11.043 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.071 -4.089 -12.776 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.864 -7.560 -12.407 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.862 -6.205 -13.542 1.00 0.00 H new ATOM 214 N ASN A 13 -6.230 -9.676 -6.594 1.00 0.00 N ATOM 215 CA ASN A 13 -6.262 -11.093 -7.071 1.00 0.00 C ATOM 216 C ASN A 13 -7.013 -11.208 -8.395 1.00 0.00 C ATOM 217 O ASN A 13 -7.135 -10.261 -9.146 1.00 0.00 O ATOM 218 CB ASN A 13 -6.956 -11.970 -6.028 1.00 0.00 C ATOM 219 CG ASN A 13 -6.029 -13.122 -5.635 1.00 0.00 C ATOM 220 OD1 ASN A 13 -5.958 -13.494 -4.481 1.00 0.00 O ATOM 221 ND2 ASN A 13 -5.311 -13.707 -6.554 1.00 0.00 N ATOM 0 H ASN A 13 -7.070 -9.357 -6.110 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.234 -11.425 -7.220 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.210 -11.377 -5.149 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.891 -12.361 -6.430 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.690 -14.477 -6.303 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.370 -13.395 -7.523 1.00 0.00 H new ATOM 228 N GLU A 14 -7.512 -12.381 -8.681 1.00 0.00 N ATOM 229 CA GLU A 14 -8.253 -12.596 -9.956 1.00 0.00 C ATOM 230 C GLU A 14 -9.719 -12.204 -9.774 1.00 0.00 C ATOM 231 O GLU A 14 -10.490 -12.196 -10.712 1.00 0.00 O ATOM 232 CB GLU A 14 -8.164 -14.072 -10.355 1.00 0.00 C ATOM 233 CG GLU A 14 -6.695 -14.466 -10.520 1.00 0.00 C ATOM 234 CD GLU A 14 -6.545 -15.388 -11.732 1.00 0.00 C ATOM 235 OE1 GLU A 14 -7.286 -16.353 -11.812 1.00 0.00 O ATOM 236 OE2 GLU A 14 -5.690 -15.113 -12.557 1.00 0.00 O ATOM 0 H GLU A 14 -7.437 -13.203 -8.082 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.811 -11.979 -10.738 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.636 -14.695 -9.595 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.704 -14.242 -11.286 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.081 -13.575 -10.650 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.340 -14.969 -9.621 1.00 0.00 H new ATOM 243 N ASN A 15 -10.109 -11.871 -8.576 1.00 0.00 N ATOM 244 CA ASN A 15 -11.525 -11.469 -8.341 1.00 0.00 C ATOM 245 C ASN A 15 -11.641 -9.950 -8.501 1.00 0.00 C ATOM 246 O ASN A 15 -12.549 -9.324 -7.990 1.00 0.00 O ATOM 247 CB ASN A 15 -11.950 -11.880 -6.930 1.00 0.00 C ATOM 248 CG ASN A 15 -13.475 -11.984 -6.865 1.00 0.00 C ATOM 249 OD1 ASN A 15 -14.152 -11.003 -6.629 1.00 0.00 O ATOM 250 ND2 ASN A 15 -14.049 -13.139 -7.066 1.00 0.00 N ATOM 0 H ASN A 15 -9.511 -11.859 -7.750 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.176 -11.964 -9.062 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.498 -12.837 -6.667 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.594 -11.149 -6.204 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -15.065 -13.218 -7.025 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.481 -13.963 -7.264 1.00 0.00 H new ATOM 257 N ASN A 16 -10.728 -9.363 -9.224 1.00 0.00 N ATOM 258 CA ASN A 16 -10.759 -7.895 -9.452 1.00 0.00 C ATOM 259 C ASN A 16 -10.963 -7.141 -8.133 1.00 0.00 C ATOM 260 O ASN A 16 -11.754 -6.223 -8.051 1.00 0.00 O ATOM 261 CB ASN A 16 -11.896 -7.575 -10.416 1.00 0.00 C ATOM 262 CG ASN A 16 -11.968 -6.065 -10.646 1.00 0.00 C ATOM 263 OD1 ASN A 16 -10.905 -5.435 -11.064 1.00 0.00 O flip ATOM 264 ND2 ASN A 16 -12.999 -5.455 -10.445 1.00 0.00 N flip ATOM 0 H ASN A 16 -9.951 -9.848 -9.672 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.806 -7.577 -9.876 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.738 -8.090 -11.364 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -12.841 -7.936 -10.011 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -13.829 -5.950 -10.118 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -13.035 -4.448 -10.603 1.00 0.00 H new ATOM 271 N GLU A 17 -10.237 -7.502 -7.109 1.00 0.00 N ATOM 272 CA GLU A 17 -10.371 -6.780 -5.806 1.00 0.00 C ATOM 273 C GLU A 17 -8.973 -6.483 -5.266 1.00 0.00 C ATOM 274 O GLU A 17 -7.996 -7.026 -5.734 1.00 0.00 O ATOM 275 CB GLU A 17 -11.139 -7.631 -4.785 1.00 0.00 C ATOM 276 CG GLU A 17 -11.159 -9.097 -5.224 1.00 0.00 C ATOM 277 CD GLU A 17 -11.496 -9.985 -4.023 1.00 0.00 C ATOM 278 OE1 GLU A 17 -12.429 -9.654 -3.309 1.00 0.00 O ATOM 279 OE2 GLU A 17 -10.815 -10.980 -3.837 1.00 0.00 O ATOM 0 H GLU A 17 -9.558 -8.263 -7.116 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.925 -5.855 -5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.672 -7.544 -3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.159 -7.260 -4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.896 -9.241 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.190 -9.377 -5.637 1.00 0.00 H new ATOM 286 N ILE A 18 -8.864 -5.622 -4.290 1.00 0.00 N ATOM 287 CA ILE A 18 -7.518 -5.296 -3.731 1.00 0.00 C ATOM 288 C ILE A 18 -7.457 -5.729 -2.266 1.00 0.00 C ATOM 289 O ILE A 18 -8.464 -6.034 -1.662 1.00 0.00 O ATOM 290 CB ILE A 18 -7.261 -3.785 -3.808 1.00 0.00 C ATOM 291 CG1 ILE A 18 -8.411 -3.088 -4.548 1.00 0.00 C ATOM 292 CG2 ILE A 18 -5.946 -3.526 -4.547 1.00 0.00 C ATOM 293 CD1 ILE A 18 -8.318 -3.390 -6.044 1.00 0.00 C ATOM 0 H ILE A 18 -9.646 -5.131 -3.856 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.762 -5.823 -4.313 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.197 -3.385 -2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.369 -3.431 -4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.365 -2.012 -4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.764 -2.453 -4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.127 -4.006 -4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.009 -3.935 -5.556 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.136 -2.894 -6.567 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.366 -3.026 -6.430 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.386 -4.466 -6.203 1.00 0.00 H new ATOM 305 N PHE A 19 -6.287 -5.751 -1.681 1.00 0.00 N ATOM 306 CA PHE A 19 -6.185 -6.153 -0.257 1.00 0.00 C ATOM 307 C PHE A 19 -5.583 -4.997 0.544 1.00 0.00 C ATOM 308 O PHE A 19 -4.386 -4.918 0.735 1.00 0.00 O ATOM 309 CB PHE A 19 -5.288 -7.387 -0.130 1.00 0.00 C ATOM 310 CG PHE A 19 -4.953 -7.608 1.325 1.00 0.00 C ATOM 311 CD1 PHE A 19 -5.866 -8.257 2.167 1.00 0.00 C ATOM 312 CD2 PHE A 19 -3.733 -7.154 1.833 1.00 0.00 C ATOM 313 CE1 PHE A 19 -5.554 -8.453 3.518 1.00 0.00 C ATOM 314 CE2 PHE A 19 -3.421 -7.349 3.181 1.00 0.00 C ATOM 315 CZ PHE A 19 -4.327 -7.997 4.025 1.00 0.00 C ATOM 0 H PHE A 19 -5.404 -5.508 -2.130 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.176 -6.393 0.128 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.794 -8.263 -0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.375 -7.249 -0.709 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.810 -8.606 1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.031 -6.652 1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.256 -8.954 4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.477 -6.998 3.572 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.083 -8.147 5.066 1.00 0.00 H new ATOM 325 N ILE A 20 -6.405 -4.106 1.022 1.00 0.00 N ATOM 326 CA ILE A 20 -5.889 -2.965 1.813 1.00 0.00 C ATOM 327 C ILE A 20 -5.574 -3.462 3.214 1.00 0.00 C ATOM 328 O ILE A 20 -5.853 -4.591 3.551 1.00 0.00 O ATOM 329 CB ILE A 20 -6.977 -1.899 1.913 1.00 0.00 C ATOM 330 CG1 ILE A 20 -7.550 -1.619 0.524 1.00 0.00 C ATOM 331 CG2 ILE A 20 -6.385 -0.617 2.493 1.00 0.00 C ATOM 332 CD1 ILE A 20 -6.552 -0.786 -0.273 1.00 0.00 C ATOM 0 H ILE A 20 -7.417 -4.123 0.896 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.999 -2.549 1.340 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.774 -2.256 2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.754 -2.556 0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.498 -1.088 0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.163 0.143 2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.983 -0.819 3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.586 -0.259 1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.957 -0.584 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.370 0.156 0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.615 -1.334 -0.368 1.00 0.00 H new ATOM 344 N THR A 21 -5.007 -2.642 4.042 1.00 0.00 N ATOM 345 CA THR A 21 -4.716 -3.101 5.416 1.00 0.00 C ATOM 346 C THR A 21 -5.498 -2.234 6.396 1.00 0.00 C ATOM 347 O THR A 21 -5.469 -1.024 6.330 1.00 0.00 O ATOM 348 CB THR A 21 -3.231 -2.981 5.699 1.00 0.00 C ATOM 349 OG1 THR A 21 -2.641 -2.078 4.775 1.00 0.00 O ATOM 350 CG2 THR A 21 -2.580 -4.359 5.570 1.00 0.00 C ATOM 0 H THR A 21 -4.735 -1.682 3.829 1.00 0.00 H new ATOM 0 HA THR A 21 -5.009 -4.145 5.525 1.00 0.00 H new ATOM 0 HB THR A 21 -3.079 -2.603 6.710 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.674 -2.232 4.739 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.512 -4.277 5.773 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.034 -5.044 6.286 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.729 -4.739 4.559 1.00 0.00 H new ATOM 358 N ARG A 22 -6.225 -2.841 7.284 1.00 0.00 N ATOM 359 CA ARG A 22 -7.031 -2.055 8.238 1.00 0.00 C ATOM 360 C ARG A 22 -7.399 -2.921 9.445 1.00 0.00 C ATOM 361 O ARG A 22 -8.010 -3.962 9.307 1.00 0.00 O ATOM 362 CB ARG A 22 -8.298 -1.621 7.515 1.00 0.00 C ATOM 363 CG ARG A 22 -9.250 -0.953 8.498 1.00 0.00 C ATOM 364 CD ARG A 22 -9.037 0.561 8.471 1.00 0.00 C ATOM 365 NE ARG A 22 -8.767 1.046 9.854 1.00 0.00 N ATOM 366 CZ ARG A 22 -8.255 2.231 10.042 1.00 0.00 C ATOM 367 NH1 ARG A 22 -7.006 2.457 9.741 1.00 0.00 N ATOM 368 NH2 ARG A 22 -8.993 3.189 10.534 1.00 0.00 N ATOM 0 H ARG A 22 -6.294 -3.853 7.388 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.471 -1.190 8.592 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.049 -0.930 6.709 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.780 -2.485 7.057 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.282 -1.190 8.238 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.078 -1.337 9.504 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.202 0.811 7.816 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.919 1.057 8.065 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.983 0.451 10.654 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.430 1.707 9.359 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.606 3.384 9.888 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.969 3.011 10.771 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.594 4.116 10.681 1.00 0.00 H new ATOM 492 N ASN A 31 -13.538 8.016 6.881 1.00 0.00 N ATOM 493 CA ASN A 31 -13.161 6.902 5.968 1.00 0.00 C ATOM 494 C ASN A 31 -11.680 7.024 5.617 1.00 0.00 C ATOM 495 O ASN A 31 -11.286 7.859 4.827 1.00 0.00 O ATOM 496 CB ASN A 31 -13.996 6.982 4.688 1.00 0.00 C ATOM 497 CG ASN A 31 -15.483 6.911 5.041 1.00 0.00 C ATOM 498 OD1 ASN A 31 -15.850 6.399 6.080 1.00 0.00 O ATOM 499 ND2 ASN A 31 -16.361 7.406 4.213 1.00 0.00 N ATOM 0 HA ASN A 31 -13.347 5.947 6.459 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -13.781 7.910 4.159 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -13.731 6.164 4.017 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -17.355 7.363 4.438 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.054 7.836 3.341 1.00 0.00 H new ATOM 506 N LYS A 32 -10.855 6.204 6.202 1.00 0.00 N ATOM 507 CA LYS A 32 -9.399 6.284 5.906 1.00 0.00 C ATOM 508 C LYS A 32 -8.826 4.873 5.749 1.00 0.00 C ATOM 509 O LYS A 32 -9.009 4.019 6.594 1.00 0.00 O ATOM 510 CB LYS A 32 -8.690 7.008 7.055 1.00 0.00 C ATOM 511 CG LYS A 32 -8.540 6.062 8.250 1.00 0.00 C ATOM 512 CD LYS A 32 -7.216 5.303 8.133 1.00 0.00 C ATOM 513 CE LYS A 32 -6.213 5.870 9.138 1.00 0.00 C ATOM 514 NZ LYS A 32 -5.870 7.271 8.759 1.00 0.00 N ATOM 0 H LYS A 32 -11.125 5.483 6.871 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.244 6.835 4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.710 7.355 6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.259 7.890 7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.567 6.628 9.181 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.373 5.360 8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.375 4.241 8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.822 5.391 7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.635 5.846 10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.313 5.256 9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.102 7.617 9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.562 7.297 7.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.707 7.877 8.878 1.00 0.00 H new ATOM 528 N LEU A 33 -8.125 4.629 4.678 1.00 0.00 N ATOM 529 CA LEU A 33 -7.525 3.291 4.460 1.00 0.00 C ATOM 530 C LEU A 33 -6.076 3.327 4.929 1.00 0.00 C ATOM 531 O LEU A 33 -5.623 4.306 5.489 1.00 0.00 O ATOM 532 CB LEU A 33 -7.563 2.960 2.969 1.00 0.00 C ATOM 533 CG LEU A 33 -8.983 2.569 2.498 1.00 0.00 C ATOM 534 CD1 LEU A 33 -8.932 1.191 1.839 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.969 2.516 3.673 1.00 0.00 C ATOM 0 H LEU A 33 -7.942 5.308 3.939 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.081 2.535 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.216 3.821 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.874 2.141 2.762 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.325 3.325 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.931 0.910 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.258 1.222 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.570 0.457 2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.957 2.238 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.630 1.777 4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.021 3.495 4.149 1.00 0.00 H new ATOM 547 N GLU A 34 -5.339 2.273 4.722 1.00 0.00 N ATOM 548 CA GLU A 34 -3.945 2.265 5.166 1.00 0.00 C ATOM 549 C GLU A 34 -3.010 2.074 3.972 1.00 0.00 C ATOM 550 O GLU A 34 -3.432 1.809 2.863 1.00 0.00 O ATOM 551 CB GLU A 34 -3.766 1.113 6.134 1.00 0.00 C ATOM 552 CG GLU A 34 -4.766 1.242 7.286 1.00 0.00 C ATOM 553 CD GLU A 34 -4.363 2.410 8.187 1.00 0.00 C ATOM 554 OE1 GLU A 34 -4.451 3.539 7.735 1.00 0.00 O ATOM 555 OE2 GLU A 34 -3.976 2.155 9.316 1.00 0.00 O ATOM 0 H GLU A 34 -5.655 1.420 4.261 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.705 3.213 5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.914 0.165 5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.748 1.108 6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.770 1.402 6.893 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.793 0.317 7.863 1.00 0.00 H new ATOM 562 N PHE A 35 -1.737 2.191 4.208 1.00 0.00 N ATOM 563 CA PHE A 35 -0.737 2.005 3.119 1.00 0.00 C ATOM 564 C PHE A 35 0.632 1.732 3.743 1.00 0.00 C ATOM 565 O PHE A 35 1.166 0.653 3.602 1.00 0.00 O ATOM 566 CB PHE A 35 -0.652 3.262 2.244 1.00 0.00 C ATOM 567 CG PHE A 35 -1.315 3.071 0.888 1.00 0.00 C ATOM 568 CD1 PHE A 35 -1.832 1.827 0.476 1.00 0.00 C ATOM 569 CD2 PHE A 35 -1.412 4.174 0.028 1.00 0.00 C ATOM 570 CE1 PHE A 35 -2.434 1.699 -0.781 1.00 0.00 C ATOM 571 CE2 PHE A 35 -2.015 4.041 -1.228 1.00 0.00 C ATOM 572 CZ PHE A 35 -2.526 2.804 -1.632 1.00 0.00 C ATOM 0 H PHE A 35 -1.339 2.411 5.121 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.044 1.165 2.496 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.126 4.095 2.763 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.394 3.530 2.099 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.764 0.971 1.131 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.019 5.132 0.336 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.829 0.744 -1.094 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.086 4.895 -1.886 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.992 2.702 -2.601 1.00 0.00 H new ATOM 582 N PRO A 36 1.170 2.710 4.425 1.00 0.00 N ATOM 583 CA PRO A 36 2.477 2.558 5.060 1.00 0.00 C ATOM 584 C PRO A 36 2.562 1.193 5.726 1.00 0.00 C ATOM 585 O PRO A 36 1.572 0.628 6.148 1.00 0.00 O ATOM 586 CB PRO A 36 2.551 3.698 6.076 1.00 0.00 C ATOM 587 CG PRO A 36 1.354 4.647 5.787 1.00 0.00 C ATOM 588 CD PRO A 36 0.528 4.015 4.650 1.00 0.00 C ATOM 0 HA PRO A 36 3.309 2.608 4.357 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.499 3.311 7.094 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.497 4.233 5.987 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.742 4.776 6.680 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.710 5.636 5.499 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.519 3.901 4.933 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.550 4.631 3.751 1.00 0.00 H new ATOM 596 N GLY A 37 3.735 0.650 5.802 1.00 0.00 N ATOM 597 CA GLY A 37 3.893 -0.694 6.412 1.00 0.00 C ATOM 598 C GLY A 37 4.747 -0.596 7.669 1.00 0.00 C ATOM 599 O GLY A 37 4.250 -0.471 8.771 1.00 0.00 O ATOM 0 H GLY A 37 4.598 1.079 5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.915 -1.109 6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.358 -1.374 5.698 1.00 0.00 H new ATOM 603 N GLY A 38 6.029 -0.652 7.504 1.00 0.00 N ATOM 604 CA GLY A 38 6.944 -0.565 8.674 1.00 0.00 C ATOM 605 C GLY A 38 8.273 0.037 8.223 1.00 0.00 C ATOM 606 O GLY A 38 9.329 -0.525 8.439 1.00 0.00 O ATOM 0 H GLY A 38 6.492 -0.755 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.498 0.050 9.456 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.105 -1.555 9.101 1.00 0.00 H new ATOM 610 N LYS A 39 8.226 1.176 7.593 1.00 0.00 N ATOM 611 CA LYS A 39 9.479 1.821 7.120 1.00 0.00 C ATOM 612 C LYS A 39 10.137 0.948 6.053 1.00 0.00 C ATOM 613 O LYS A 39 9.676 -0.135 5.750 1.00 0.00 O ATOM 614 CB LYS A 39 10.435 1.997 8.301 1.00 0.00 C ATOM 615 CG LYS A 39 10.738 3.484 8.496 1.00 0.00 C ATOM 616 CD LYS A 39 9.710 4.093 9.451 1.00 0.00 C ATOM 617 CE LYS A 39 10.359 5.232 10.239 1.00 0.00 C ATOM 618 NZ LYS A 39 9.315 5.953 11.021 1.00 0.00 N ATOM 0 H LYS A 39 7.370 1.690 7.385 1.00 0.00 H new ATOM 0 HA LYS A 39 9.246 2.796 6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.991 1.584 9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.359 1.448 8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.743 3.612 8.897 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.710 4.001 7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.853 4.466 8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.336 3.331 10.134 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.122 4.836 10.909 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.859 5.921 9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.756 6.728 11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.602 6.343 10.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.857 5.292 11.681 1.00 0.00 H new ATOM 632 N ILE A 40 11.204 1.419 5.470 1.00 0.00 N ATOM 633 CA ILE A 40 11.887 0.631 4.408 1.00 0.00 C ATOM 634 C ILE A 40 13.391 0.918 4.436 1.00 0.00 C ATOM 635 O ILE A 40 13.898 1.686 3.641 1.00 0.00 O ATOM 636 CB ILE A 40 11.313 1.054 3.058 1.00 0.00 C ATOM 637 CG1 ILE A 40 12.083 0.368 1.926 1.00 0.00 C ATOM 638 CG2 ILE A 40 11.440 2.570 2.912 1.00 0.00 C ATOM 639 CD1 ILE A 40 11.725 1.035 0.594 1.00 0.00 C ATOM 0 H ILE A 40 11.633 2.319 5.685 1.00 0.00 H new ATOM 0 HA ILE A 40 11.729 -0.435 4.571 1.00 0.00 H new ATOM 0 HB ILE A 40 10.264 0.763 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.156 0.439 2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.835 -0.693 1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.032 2.878 1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.888 3.060 3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.491 2.854 2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.271 0.549 -0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.654 0.941 0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.995 2.090 0.631 1.00 0.00 H new ATOM 651 N GLU A 41 14.114 0.315 5.341 1.00 0.00 N ATOM 652 CA GLU A 41 15.583 0.571 5.402 1.00 0.00 C ATOM 653 C GLU A 41 16.308 -0.663 5.937 1.00 0.00 C ATOM 654 O GLU A 41 15.784 -1.410 6.739 1.00 0.00 O ATOM 655 CB GLU A 41 15.878 1.762 6.323 1.00 0.00 C ATOM 656 CG GLU A 41 14.607 2.584 6.534 1.00 0.00 C ATOM 657 CD GLU A 41 14.902 3.759 7.468 1.00 0.00 C ATOM 658 OE1 GLU A 41 16.012 4.263 7.420 1.00 0.00 O ATOM 659 OE2 GLU A 41 14.013 4.135 8.213 1.00 0.00 O ATOM 0 H GLU A 41 13.755 -0.339 6.036 1.00 0.00 H new ATOM 0 HA GLU A 41 15.935 0.796 4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 41 16.255 1.407 7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.657 2.387 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.237 2.952 5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.823 1.957 6.959 1.00 0.00 H new ATOM 666 N MET A 42 17.517 -0.869 5.499 1.00 0.00 N ATOM 667 CA MET A 42 18.309 -2.042 5.965 1.00 0.00 C ATOM 668 C MET A 42 19.494 -2.249 5.020 1.00 0.00 C ATOM 669 O MET A 42 20.559 -2.676 5.424 1.00 0.00 O ATOM 670 CB MET A 42 17.435 -3.296 5.960 1.00 0.00 C ATOM 671 CG MET A 42 16.664 -3.376 4.643 1.00 0.00 C ATOM 672 SD MET A 42 15.209 -4.430 4.861 1.00 0.00 S ATOM 673 CE MET A 42 14.051 -3.420 3.908 1.00 0.00 C ATOM 0 H MET A 42 17.997 -0.268 4.830 1.00 0.00 H new ATOM 0 HA MET A 42 18.666 -1.859 6.979 1.00 0.00 H new ATOM 0 HB2 MET A 42 18.054 -4.184 6.085 1.00 0.00 H new ATOM 0 HB3 MET A 42 16.740 -3.271 6.799 1.00 0.00 H new ATOM 0 HG2 MET A 42 16.360 -2.379 4.326 1.00 0.00 H new ATOM 0 HG3 MET A 42 17.304 -3.779 3.858 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.199 -4.030 3.607 1.00 0.00 H new ATOM 0 HE2 MET A 42 13.704 -2.588 4.521 1.00 0.00 H new ATOM 0 HE3 MET A 42 14.551 -3.032 3.021 1.00 0.00 H new ATOM 683 N GLY A 43 19.314 -1.948 3.763 1.00 0.00 N ATOM 684 CA GLY A 43 20.424 -2.125 2.785 1.00 0.00 C ATOM 685 C GLY A 43 19.892 -2.790 1.519 1.00 0.00 C ATOM 686 O GLY A 43 20.549 -3.608 0.906 1.00 0.00 O ATOM 0 H GLY A 43 18.445 -1.587 3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 43 20.865 -1.158 2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 43 21.214 -2.735 3.223 1.00 0.00 H new ATOM 690 N GLU A 44 18.703 -2.447 1.130 1.00 0.00 N ATOM 691 CA GLU A 44 18.109 -3.056 -0.092 1.00 0.00 C ATOM 692 C GLU A 44 17.526 -1.959 -0.992 1.00 0.00 C ATOM 693 O GLU A 44 18.025 -0.852 -1.038 1.00 0.00 O ATOM 694 CB GLU A 44 17.006 -4.031 0.323 1.00 0.00 C ATOM 695 CG GLU A 44 17.586 -5.079 1.277 1.00 0.00 C ATOM 696 CD GLU A 44 16.537 -6.158 1.551 1.00 0.00 C ATOM 697 OE1 GLU A 44 16.014 -6.704 0.595 1.00 0.00 O ATOM 698 OE2 GLU A 44 16.277 -6.421 2.714 1.00 0.00 O ATOM 0 H GLU A 44 18.110 -1.767 1.606 1.00 0.00 H new ATOM 0 HA GLU A 44 18.880 -3.590 -0.647 1.00 0.00 H new ATOM 0 HB2 GLU A 44 16.193 -3.492 0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 44 16.585 -4.517 -0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 44 18.479 -5.528 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.890 -4.607 2.211 1.00 0.00 H new ATOM 705 N THR A 45 16.476 -2.259 -1.710 1.00 0.00 N ATOM 706 CA THR A 45 15.862 -1.245 -2.609 1.00 0.00 C ATOM 707 C THR A 45 14.340 -1.416 -2.575 1.00 0.00 C ATOM 708 O THR A 45 13.834 -2.231 -1.830 1.00 0.00 O ATOM 709 CB THR A 45 16.386 -1.456 -4.031 1.00 0.00 C ATOM 710 OG1 THR A 45 17.368 -2.483 -4.021 1.00 0.00 O ATOM 711 CG2 THR A 45 17.008 -0.154 -4.542 1.00 0.00 C ATOM 0 H THR A 45 16.016 -3.170 -1.710 1.00 0.00 H new ATOM 0 HA THR A 45 16.120 -0.238 -2.281 1.00 0.00 H new ATOM 0 HB THR A 45 15.565 -1.745 -4.687 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.705 -2.622 -4.931 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.382 -0.302 -5.555 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.254 0.633 -4.545 1.00 0.00 H new ATOM 0 HG23 THR A 45 17.832 0.136 -3.890 1.00 0.00 H new ATOM 719 N PRO A 46 13.650 -0.637 -3.368 1.00 0.00 N ATOM 720 CA PRO A 46 12.180 -0.690 -3.421 1.00 0.00 C ATOM 721 C PRO A 46 11.708 -2.004 -4.055 1.00 0.00 C ATOM 722 O PRO A 46 10.526 -2.272 -4.141 1.00 0.00 O ATOM 723 CB PRO A 46 11.781 0.506 -4.297 1.00 0.00 C ATOM 724 CG PRO A 46 13.087 1.168 -4.811 1.00 0.00 C ATOM 725 CD PRO A 46 14.265 0.353 -4.266 1.00 0.00 C ATOM 0 HA PRO A 46 11.729 -0.646 -2.430 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.163 0.179 -5.133 1.00 0.00 H new ATOM 0 HB3 PRO A 46 11.190 1.220 -3.724 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.105 1.185 -5.901 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.150 2.203 -4.475 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.817 -0.132 -5.071 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.972 0.987 -3.731 1.00 0.00 H new ATOM 733 N GLU A 47 12.618 -2.827 -4.500 1.00 0.00 N ATOM 734 CA GLU A 47 12.219 -4.114 -5.124 1.00 0.00 C ATOM 735 C GLU A 47 12.565 -5.260 -4.175 1.00 0.00 C ATOM 736 O GLU A 47 11.779 -6.156 -3.944 1.00 0.00 O ATOM 737 CB GLU A 47 12.992 -4.285 -6.430 1.00 0.00 C ATOM 738 CG GLU A 47 12.061 -4.032 -7.618 1.00 0.00 C ATOM 739 CD GLU A 47 11.930 -2.526 -7.853 1.00 0.00 C ATOM 740 OE1 GLU A 47 11.406 -1.854 -6.980 1.00 0.00 O ATOM 741 OE2 GLU A 47 12.356 -2.070 -8.900 1.00 0.00 O ATOM 0 H GLU A 47 13.623 -2.660 -4.457 1.00 0.00 H new ATOM 0 HA GLU A 47 11.147 -4.119 -5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.832 -3.591 -6.460 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.407 -5.291 -6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.454 -4.517 -8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.081 -4.467 -7.424 1.00 0.00 H new ATOM 748 N GLN A 48 13.744 -5.225 -3.623 1.00 0.00 N ATOM 749 CA GLN A 48 14.179 -6.282 -2.688 1.00 0.00 C ATOM 750 C GLN A 48 13.498 -6.081 -1.349 1.00 0.00 C ATOM 751 O GLN A 48 12.862 -6.961 -0.805 1.00 0.00 O ATOM 752 CB GLN A 48 15.684 -6.165 -2.499 1.00 0.00 C ATOM 753 CG GLN A 48 16.328 -7.484 -2.874 1.00 0.00 C ATOM 754 CD GLN A 48 17.778 -7.511 -2.390 1.00 0.00 C ATOM 755 OE1 GLN A 48 18.068 -7.109 -1.281 1.00 0.00 O ATOM 756 NE2 GLN A 48 18.709 -7.973 -3.181 1.00 0.00 N ATOM 0 H GLN A 48 14.433 -4.492 -3.788 1.00 0.00 H new ATOM 0 HA GLN A 48 13.919 -7.263 -3.085 1.00 0.00 H new ATOM 0 HB2 GLN A 48 16.081 -5.362 -3.120 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.916 -5.913 -1.464 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.772 -8.310 -2.430 1.00 0.00 H new ATOM 0 HG3 GLN A 48 16.294 -7.621 -3.955 1.00 0.00 H new ATOM 0 HE21 GLN A 48 18.466 -8.311 -4.112 1.00 0.00 H new ATOM 0 HE22 GLN A 48 19.679 -7.996 -2.867 1.00 0.00 H new ATOM 765 N ALA A 49 13.659 -4.918 -0.821 1.00 0.00 N ATOM 766 CA ALA A 49 13.064 -4.590 0.503 1.00 0.00 C ATOM 767 C ALA A 49 11.679 -5.233 0.634 1.00 0.00 C ATOM 768 O ALA A 49 11.411 -5.957 1.571 1.00 0.00 O ATOM 769 CB ALA A 49 12.936 -3.072 0.646 1.00 0.00 C ATOM 0 H ALA A 49 14.187 -4.159 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 49 13.713 -4.979 1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.500 -2.833 1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.923 -2.615 0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.294 -2.685 -0.145 1.00 0.00 H new ATOM 775 N VAL A 50 10.801 -4.982 -0.297 1.00 0.00 N ATOM 776 CA VAL A 50 9.444 -5.585 -0.223 1.00 0.00 C ATOM 777 C VAL A 50 9.527 -7.055 -0.629 1.00 0.00 C ATOM 778 O VAL A 50 8.780 -7.889 -0.154 1.00 0.00 O ATOM 779 CB VAL A 50 8.526 -4.836 -1.183 1.00 0.00 C ATOM 780 CG1 VAL A 50 8.816 -5.260 -2.620 1.00 0.00 C ATOM 781 CG2 VAL A 50 7.072 -5.137 -0.867 1.00 0.00 C ATOM 0 H VAL A 50 10.966 -4.384 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 50 9.052 -5.514 0.792 1.00 0.00 H new ATOM 0 HB VAL A 50 8.709 -3.768 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.156 -4.720 -3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.853 -5.032 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.646 -6.332 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.429 -4.595 -1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.892 -6.207 -0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.849 -4.825 0.153 1.00 0.00 H new ATOM 791 N VAL A 51 10.434 -7.375 -1.509 1.00 0.00 N ATOM 792 CA VAL A 51 10.578 -8.782 -1.952 1.00 0.00 C ATOM 793 C VAL A 51 10.519 -9.684 -0.722 1.00 0.00 C ATOM 794 O VAL A 51 9.680 -10.554 -0.602 1.00 0.00 O ATOM 795 CB VAL A 51 11.917 -8.921 -2.704 1.00 0.00 C ATOM 796 CG1 VAL A 51 12.999 -9.619 -1.869 1.00 0.00 C ATOM 797 CG2 VAL A 51 11.684 -9.732 -3.956 1.00 0.00 C ATOM 0 H VAL A 51 11.083 -6.717 -1.940 1.00 0.00 H new ATOM 0 HA VAL A 51 9.775 -9.076 -2.628 1.00 0.00 H new ATOM 0 HB VAL A 51 12.271 -7.915 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.919 -9.688 -2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.185 -9.045 -0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.662 -10.621 -1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.623 -9.839 -4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.306 -10.718 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.955 -9.225 -4.588 1.00 0.00 H new ATOM 807 N ARG A 52 11.403 -9.459 0.194 1.00 0.00 N ATOM 808 CA ARG A 52 11.442 -10.242 1.421 1.00 0.00 C ATOM 809 C ARG A 52 10.194 -9.916 2.247 1.00 0.00 C ATOM 810 O ARG A 52 9.708 -10.743 2.980 1.00 0.00 O ATOM 811 CB ARG A 52 12.738 -9.853 2.142 1.00 0.00 C ATOM 812 CG ARG A 52 12.468 -9.444 3.587 1.00 0.00 C ATOM 813 CD ARG A 52 13.782 -9.433 4.373 1.00 0.00 C ATOM 814 NE ARG A 52 14.233 -10.834 4.616 1.00 0.00 N ATOM 815 CZ ARG A 52 13.360 -11.771 4.872 1.00 0.00 C ATOM 816 NH1 ARG A 52 12.567 -11.660 5.902 1.00 0.00 N ATOM 817 NH2 ARG A 52 13.283 -12.821 4.101 1.00 0.00 N ATOM 0 H ARG A 52 12.121 -8.737 0.130 1.00 0.00 H new ATOM 0 HA ARG A 52 11.438 -11.317 1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.433 -10.693 2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.218 -9.030 1.613 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.007 -8.457 3.616 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.764 -10.138 4.046 1.00 0.00 H new ATOM 0 HD2 ARG A 52 14.544 -8.886 3.818 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.645 -8.915 5.322 1.00 0.00 H new ATOM 0 HE ARG A 52 15.227 -11.061 4.582 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.629 -10.841 6.507 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.885 -12.392 6.102 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.905 -12.910 3.298 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.601 -13.552 4.302 1.00 0.00 H new ATOM 831 N GLU A 53 9.654 -8.725 2.124 1.00 0.00 N ATOM 832 CA GLU A 53 8.428 -8.403 2.908 1.00 0.00 C ATOM 833 C GLU A 53 7.359 -9.438 2.572 1.00 0.00 C ATOM 834 O GLU A 53 6.406 -9.627 3.301 1.00 0.00 O ATOM 835 CB GLU A 53 7.926 -7.001 2.551 1.00 0.00 C ATOM 836 CG GLU A 53 8.764 -5.954 3.290 1.00 0.00 C ATOM 837 CD GLU A 53 7.854 -4.835 3.800 1.00 0.00 C ATOM 838 OE1 GLU A 53 7.159 -5.062 4.777 1.00 0.00 O ATOM 839 OE2 GLU A 53 7.870 -3.769 3.207 1.00 0.00 O ATOM 0 H GLU A 53 10.005 -7.978 1.525 1.00 0.00 H new ATOM 0 HA GLU A 53 8.652 -8.426 3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.993 -6.842 1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.875 -6.899 2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.290 -6.418 4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.523 -5.544 2.623 1.00 0.00 H new ATOM 846 N LEU A 54 7.519 -10.122 1.471 1.00 0.00 N ATOM 847 CA LEU A 54 6.526 -11.156 1.089 1.00 0.00 C ATOM 848 C LEU A 54 6.622 -12.327 2.069 1.00 0.00 C ATOM 849 O LEU A 54 5.627 -12.866 2.506 1.00 0.00 O ATOM 850 CB LEU A 54 6.819 -11.651 -0.330 1.00 0.00 C ATOM 851 CG LEU A 54 6.116 -10.750 -1.345 1.00 0.00 C ATOM 852 CD1 LEU A 54 6.522 -11.159 -2.761 1.00 0.00 C ATOM 853 CD2 LEU A 54 4.599 -10.893 -1.191 1.00 0.00 C ATOM 0 H LEU A 54 8.297 -10.006 0.822 1.00 0.00 H new ATOM 0 HA LEU A 54 5.523 -10.731 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.894 -11.650 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.477 -12.680 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 54 6.405 -9.714 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.020 -10.516 -3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.601 -11.058 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.234 -12.196 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.098 -10.250 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.312 -11.930 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.307 -10.601 -0.183 1.00 0.00 H new ATOM 865 N GLN A 55 7.817 -12.728 2.412 1.00 0.00 N ATOM 866 CA GLN A 55 7.985 -13.866 3.360 1.00 0.00 C ATOM 867 C GLN A 55 7.820 -13.388 4.806 1.00 0.00 C ATOM 868 O GLN A 55 7.211 -14.055 5.619 1.00 0.00 O ATOM 869 CB GLN A 55 9.378 -14.474 3.186 1.00 0.00 C ATOM 870 CG GLN A 55 9.602 -14.832 1.717 1.00 0.00 C ATOM 871 CD GLN A 55 10.170 -16.249 1.620 1.00 0.00 C ATOM 872 OE1 GLN A 55 11.362 -16.429 1.474 1.00 0.00 O ATOM 873 NE2 GLN A 55 9.360 -17.269 1.699 1.00 0.00 N ATOM 0 H GLN A 55 8.686 -12.315 2.075 1.00 0.00 H new ATOM 0 HA GLN A 55 7.223 -14.615 3.145 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.138 -13.767 3.518 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.477 -15.364 3.807 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.663 -14.767 1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.289 -14.121 1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.359 -17.117 1.822 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.728 -18.218 1.638 1.00 0.00 H new ATOM 882 N GLU A 56 8.371 -12.251 5.144 1.00 0.00 N ATOM 883 CA GLU A 56 8.255 -11.758 6.550 1.00 0.00 C ATOM 884 C GLU A 56 6.896 -11.080 6.785 1.00 0.00 C ATOM 885 O GLU A 56 6.800 -10.100 7.496 1.00 0.00 O ATOM 886 CB GLU A 56 9.381 -10.761 6.838 1.00 0.00 C ATOM 887 CG GLU A 56 9.225 -9.532 5.942 1.00 0.00 C ATOM 888 CD GLU A 56 10.105 -8.398 6.473 1.00 0.00 C ATOM 889 OE1 GLU A 56 10.661 -8.561 7.548 1.00 0.00 O ATOM 890 OE2 GLU A 56 10.209 -7.389 5.798 1.00 0.00 O ATOM 0 H GLU A 56 8.894 -11.645 4.512 1.00 0.00 H new ATOM 0 HA GLU A 56 8.335 -12.612 7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.357 -10.464 7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.349 -11.230 6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.508 -9.777 4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.182 -9.216 5.918 1.00 0.00 H new ATOM 897 N GLU A 57 5.843 -11.597 6.210 1.00 0.00 N ATOM 898 CA GLU A 57 4.498 -10.985 6.421 1.00 0.00 C ATOM 899 C GLU A 57 3.435 -12.088 6.409 1.00 0.00 C ATOM 900 O GLU A 57 2.671 -12.242 7.341 1.00 0.00 O ATOM 901 CB GLU A 57 4.205 -9.985 5.300 1.00 0.00 C ATOM 902 CG GLU A 57 5.023 -8.710 5.521 1.00 0.00 C ATOM 903 CD GLU A 57 4.424 -7.910 6.679 1.00 0.00 C ATOM 904 OE1 GLU A 57 3.209 -7.877 6.784 1.00 0.00 O ATOM 905 OE2 GLU A 57 5.191 -7.346 7.442 1.00 0.00 O ATOM 0 H GLU A 57 5.856 -12.417 5.603 1.00 0.00 H new ATOM 0 HA GLU A 57 4.481 -10.467 7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.452 -10.424 4.334 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.141 -9.748 5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.060 -8.965 5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.028 -8.107 4.613 1.00 0.00 H new ATOM 912 N VAL A 58 3.389 -12.856 5.355 1.00 0.00 N ATOM 913 CA VAL A 58 2.384 -13.958 5.262 1.00 0.00 C ATOM 914 C VAL A 58 3.014 -15.159 4.544 1.00 0.00 C ATOM 915 O VAL A 58 2.700 -16.299 4.822 1.00 0.00 O ATOM 916 CB VAL A 58 1.156 -13.469 4.474 1.00 0.00 C ATOM 917 CG1 VAL A 58 0.856 -12.028 4.853 1.00 0.00 C ATOM 918 CG2 VAL A 58 1.430 -13.553 2.970 1.00 0.00 C ATOM 0 H VAL A 58 4.007 -12.768 4.548 1.00 0.00 H new ATOM 0 HA VAL A 58 2.073 -14.255 6.263 1.00 0.00 H new ATOM 0 HB VAL A 58 0.301 -14.100 4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.014 -11.679 4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.651 -11.968 5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.716 -11.402 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.555 -13.205 2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.287 -12.928 2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.643 -14.586 2.696 1.00 0.00 H new ATOM 928 N GLY A 59 3.893 -14.903 3.613 1.00 0.00 N ATOM 929 CA GLY A 59 4.538 -16.003 2.863 1.00 0.00 C ATOM 930 C GLY A 59 3.632 -16.417 1.705 1.00 0.00 C ATOM 931 O GLY A 59 3.207 -17.551 1.608 1.00 0.00 O ATOM 0 H GLY A 59 4.191 -13.966 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.508 -15.682 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.718 -16.852 3.522 1.00 0.00 H new ATOM 935 N ILE A 60 3.342 -15.502 0.820 1.00 0.00 N ATOM 936 CA ILE A 60 2.471 -15.842 -0.342 1.00 0.00 C ATOM 937 C ILE A 60 3.349 -16.191 -1.534 1.00 0.00 C ATOM 938 O ILE A 60 4.520 -15.872 -1.568 1.00 0.00 O ATOM 939 CB ILE A 60 1.591 -14.645 -0.750 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.138 -13.334 -0.178 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.166 -14.854 -0.253 1.00 0.00 C ATOM 942 CD1 ILE A 60 1.150 -12.206 -0.467 1.00 0.00 C ATOM 0 H ILE A 60 3.669 -14.536 0.851 1.00 0.00 H new ATOM 0 HA ILE A 60 1.835 -16.678 -0.052 1.00 0.00 H new ATOM 0 HB ILE A 60 1.599 -14.580 -1.838 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.294 -13.430 0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.107 -13.107 -0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.450 -14.003 -0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.242 -15.765 -0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.169 -14.943 0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.536 -11.271 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.017 -12.106 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.191 -12.434 -0.002 1.00 0.00 H new ATOM 954 N THR A 61 2.778 -16.797 -2.532 1.00 0.00 N ATOM 955 CA THR A 61 3.565 -17.103 -3.748 1.00 0.00 C ATOM 956 C THR A 61 3.002 -16.238 -4.867 1.00 0.00 C ATOM 957 O THR A 61 2.149 -16.668 -5.619 1.00 0.00 O ATOM 958 CB THR A 61 3.453 -18.570 -4.138 1.00 0.00 C ATOM 959 OG1 THR A 61 3.952 -19.385 -3.086 1.00 0.00 O ATOM 960 CG2 THR A 61 4.280 -18.782 -5.404 1.00 0.00 C ATOM 0 H THR A 61 1.802 -17.092 -2.557 1.00 0.00 H new ATOM 0 HA THR A 61 4.620 -16.899 -3.564 1.00 0.00 H new ATOM 0 HB THR A 61 2.413 -18.841 -4.318 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.877 -20.329 -3.339 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.219 -19.827 -5.708 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.893 -18.149 -6.202 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.320 -18.522 -5.207 1.00 0.00 H new ATOM 968 N PRO A 62 3.474 -15.025 -4.917 1.00 0.00 N ATOM 969 CA PRO A 62 3.015 -14.043 -5.903 1.00 0.00 C ATOM 970 C PRO A 62 3.270 -14.554 -7.313 1.00 0.00 C ATOM 971 O PRO A 62 4.393 -14.781 -7.716 1.00 0.00 O ATOM 972 CB PRO A 62 3.833 -12.788 -5.612 1.00 0.00 C ATOM 973 CG PRO A 62 4.868 -13.149 -4.521 1.00 0.00 C ATOM 974 CD PRO A 62 4.517 -14.541 -3.999 1.00 0.00 C ATOM 0 HA PRO A 62 1.944 -13.850 -5.836 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.334 -12.439 -6.515 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.186 -11.979 -5.274 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.878 -13.137 -4.931 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.843 -12.419 -3.712 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.387 -15.198 -4.004 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.154 -14.500 -2.972 1.00 0.00 H new ATOM 982 N GLN A 63 2.228 -14.741 -8.064 1.00 0.00 N ATOM 983 CA GLN A 63 2.391 -15.242 -9.447 1.00 0.00 C ATOM 984 C GLN A 63 2.807 -14.083 -10.356 1.00 0.00 C ATOM 985 O GLN A 63 3.475 -14.279 -11.352 1.00 0.00 O ATOM 986 CB GLN A 63 1.067 -15.844 -9.922 1.00 0.00 C ATOM 987 CG GLN A 63 0.321 -16.458 -8.729 1.00 0.00 C ATOM 988 CD GLN A 63 -0.224 -17.832 -9.124 1.00 0.00 C ATOM 989 OE1 GLN A 63 0.099 -18.346 -10.178 1.00 0.00 O ATOM 990 NE2 GLN A 63 -1.044 -18.451 -8.321 1.00 0.00 N ATOM 0 H GLN A 63 1.265 -14.567 -7.776 1.00 0.00 H new ATOM 0 HA GLN A 63 3.162 -16.012 -9.480 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.453 -15.074 -10.390 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.253 -16.606 -10.678 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.992 -16.552 -7.875 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.496 -15.805 -8.421 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.315 -18.020 -7.437 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.415 -19.366 -8.577 1.00 0.00 H new ATOM 999 N HIS A 64 2.430 -12.872 -10.025 1.00 0.00 N ATOM 1000 CA HIS A 64 2.828 -11.722 -10.888 1.00 0.00 C ATOM 1001 C HIS A 64 2.482 -10.386 -10.219 1.00 0.00 C ATOM 1002 O HIS A 64 1.329 -10.073 -9.999 1.00 0.00 O ATOM 1003 CB HIS A 64 2.087 -11.823 -12.219 1.00 0.00 C ATOM 1004 CG HIS A 64 2.739 -10.917 -13.227 1.00 0.00 C ATOM 1005 ND1 HIS A 64 2.307 -10.844 -14.542 1.00 0.00 N ATOM 1006 CD2 HIS A 64 3.790 -10.039 -13.128 1.00 0.00 C ATOM 1007 CE1 HIS A 64 3.087 -9.951 -15.176 1.00 0.00 C ATOM 1008 NE2 HIS A 64 4.008 -9.430 -14.360 1.00 0.00 N ATOM 0 H HIS A 64 1.871 -12.634 -9.205 1.00 0.00 H new ATOM 0 HA HIS A 64 3.906 -11.760 -11.046 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.100 -12.852 -12.577 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.041 -11.545 -12.087 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.361 -9.850 -12.231 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.982 -9.687 -16.218 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.718 -8.735 -14.591 1.00 0.00 H new ATOM 1016 N PHE A 65 3.474 -9.581 -9.922 1.00 0.00 N ATOM 1017 CA PHE A 65 3.195 -8.252 -9.301 1.00 0.00 C ATOM 1018 C PHE A 65 3.928 -7.165 -10.072 1.00 0.00 C ATOM 1019 O PHE A 65 4.741 -7.432 -10.933 1.00 0.00 O ATOM 1020 CB PHE A 65 3.664 -8.213 -7.849 1.00 0.00 C ATOM 1021 CG PHE A 65 5.065 -8.762 -7.738 1.00 0.00 C ATOM 1022 CD1 PHE A 65 6.154 -7.989 -8.158 1.00 0.00 C ATOM 1023 CD2 PHE A 65 5.278 -10.037 -7.201 1.00 0.00 C ATOM 1024 CE1 PHE A 65 7.455 -8.490 -8.044 1.00 0.00 C ATOM 1025 CE2 PHE A 65 6.581 -10.540 -7.088 1.00 0.00 C ATOM 1026 CZ PHE A 65 7.669 -9.765 -7.508 1.00 0.00 C ATOM 0 H PHE A 65 4.460 -9.787 -10.083 1.00 0.00 H new ATOM 0 HA PHE A 65 2.118 -8.087 -9.332 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.637 -7.188 -7.478 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.987 -8.796 -7.225 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.989 -7.005 -8.571 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.439 -10.633 -6.874 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.294 -7.893 -8.370 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.746 -11.525 -6.677 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.674 -10.151 -7.418 1.00 0.00 H new ATOM 1036 N SER A 66 3.644 -5.936 -9.761 1.00 0.00 N ATOM 1037 CA SER A 66 4.327 -4.815 -10.472 1.00 0.00 C ATOM 1038 C SER A 66 4.167 -3.509 -9.687 1.00 0.00 C ATOM 1039 O SER A 66 3.288 -3.370 -8.861 1.00 0.00 O ATOM 1040 CB SER A 66 3.711 -4.647 -11.861 1.00 0.00 C ATOM 1041 OG SER A 66 4.738 -4.723 -12.843 1.00 0.00 O ATOM 0 H SER A 66 2.971 -5.655 -9.048 1.00 0.00 H new ATOM 0 HA SER A 66 5.388 -5.048 -10.560 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.966 -5.422 -12.037 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.196 -3.689 -11.930 1.00 0.00 H new ATOM 0 HG SER A 66 4.346 -4.617 -13.735 1.00 0.00 H new ATOM 1047 N LEU A 67 4.999 -2.539 -9.966 1.00 0.00 N ATOM 1048 CA LEU A 67 4.883 -1.226 -9.269 1.00 0.00 C ATOM 1049 C LEU A 67 4.373 -0.196 -10.278 1.00 0.00 C ATOM 1050 O LEU A 67 5.070 0.185 -11.197 1.00 0.00 O ATOM 1051 CB LEU A 67 6.251 -0.798 -8.729 1.00 0.00 C ATOM 1052 CG LEU A 67 6.134 0.575 -8.061 1.00 0.00 C ATOM 1053 CD1 LEU A 67 5.416 0.437 -6.715 1.00 0.00 C ATOM 1054 CD2 LEU A 67 7.534 1.148 -7.833 1.00 0.00 C ATOM 0 H LEU A 67 5.755 -2.601 -10.648 1.00 0.00 H new ATOM 0 HA LEU A 67 4.192 -1.304 -8.430 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.616 -1.533 -8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.977 -0.758 -9.541 1.00 0.00 H new ATOM 0 HG LEU A 67 5.564 1.243 -8.706 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.335 1.416 -6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.418 0.028 -6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.983 -0.232 -6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.454 2.126 -7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.102 0.476 -7.189 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.045 1.251 -8.790 1.00 0.00 H new ATOM 1066 N PHE A 68 3.149 0.233 -10.132 1.00 0.00 N ATOM 1067 CA PHE A 68 2.578 1.202 -11.096 1.00 0.00 C ATOM 1068 C PHE A 68 3.237 2.573 -10.954 1.00 0.00 C ATOM 1069 O PHE A 68 3.772 3.117 -11.900 1.00 0.00 O ATOM 1070 CB PHE A 68 1.075 1.301 -10.843 1.00 0.00 C ATOM 1071 CG PHE A 68 0.766 2.086 -9.595 1.00 0.00 C ATOM 1072 CD1 PHE A 68 0.828 1.463 -8.344 1.00 0.00 C ATOM 1073 CD2 PHE A 68 0.415 3.437 -9.690 1.00 0.00 C ATOM 1074 CE1 PHE A 68 0.539 2.193 -7.186 1.00 0.00 C ATOM 1075 CE2 PHE A 68 0.126 4.167 -8.532 1.00 0.00 C ATOM 1076 CZ PHE A 68 0.188 3.544 -7.279 1.00 0.00 C ATOM 0 H PHE A 68 2.520 -0.051 -9.380 1.00 0.00 H new ATOM 0 HA PHE A 68 2.765 0.857 -12.113 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.593 1.775 -11.698 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.655 0.299 -10.755 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.099 0.420 -8.272 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.367 3.916 -10.657 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.587 1.713 -6.220 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.145 5.210 -8.604 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.035 4.107 -6.385 1.00 0.00 H new ATOM 1086 N GLU A 69 3.197 3.134 -9.790 1.00 0.00 N ATOM 1087 CA GLU A 69 3.815 4.477 -9.587 1.00 0.00 C ATOM 1088 C GLU A 69 3.807 4.833 -8.100 1.00 0.00 C ATOM 1089 O GLU A 69 2.901 4.482 -7.371 1.00 0.00 O ATOM 1090 CB GLU A 69 3.020 5.530 -10.363 1.00 0.00 C ATOM 1091 CG GLU A 69 3.873 6.789 -10.536 1.00 0.00 C ATOM 1092 CD GLU A 69 4.466 6.811 -11.945 1.00 0.00 C ATOM 1093 OE1 GLU A 69 3.935 6.122 -12.801 1.00 0.00 O ATOM 1094 OE2 GLU A 69 5.443 7.515 -12.145 1.00 0.00 O ATOM 0 H GLU A 69 2.763 2.726 -8.962 1.00 0.00 H new ATOM 0 HA GLU A 69 4.843 4.454 -9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.731 5.137 -11.338 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.100 5.772 -9.831 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.265 7.679 -10.371 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.671 6.806 -9.793 1.00 0.00 H new ATOM 1101 N LYS A 70 4.824 5.511 -7.641 1.00 0.00 N ATOM 1102 CA LYS A 70 4.903 5.874 -6.216 1.00 0.00 C ATOM 1103 C LYS A 70 4.748 7.390 -6.037 1.00 0.00 C ATOM 1104 O LYS A 70 5.001 8.163 -6.940 1.00 0.00 O ATOM 1105 CB LYS A 70 6.274 5.436 -5.720 1.00 0.00 C ATOM 1106 CG LYS A 70 7.348 6.432 -6.172 1.00 0.00 C ATOM 1107 CD LYS A 70 8.680 6.071 -5.517 1.00 0.00 C ATOM 1108 CE LYS A 70 9.663 5.598 -6.589 1.00 0.00 C ATOM 1109 NZ LYS A 70 10.690 6.651 -6.820 1.00 0.00 N ATOM 0 H LYS A 70 5.609 5.829 -8.209 1.00 0.00 H new ATOM 0 HA LYS A 70 4.105 5.389 -5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.269 5.365 -4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.506 4.442 -6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.446 6.411 -7.257 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.058 7.446 -5.898 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.086 6.936 -4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.532 5.288 -4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.142 4.671 -6.275 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.131 5.384 -7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.359 6.330 -7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.225 7.525 -7.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.204 6.834 -5.935 1.00 0.00 H new ATOM 1123 N LEU A 71 4.361 7.820 -4.864 1.00 0.00 N ATOM 1124 CA LEU A 71 4.223 9.283 -4.608 1.00 0.00 C ATOM 1125 C LEU A 71 5.288 9.696 -3.591 1.00 0.00 C ATOM 1126 O LEU A 71 6.226 8.965 -3.342 1.00 0.00 O ATOM 1127 CB LEU A 71 2.826 9.594 -4.054 1.00 0.00 C ATOM 1128 CG LEU A 71 2.382 8.481 -3.107 1.00 0.00 C ATOM 1129 CD1 LEU A 71 3.289 8.464 -1.875 1.00 0.00 C ATOM 1130 CD2 LEU A 71 0.937 8.735 -2.667 1.00 0.00 C ATOM 0 H LEU A 71 4.134 7.219 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 71 4.355 9.836 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.838 10.548 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.114 9.692 -4.873 1.00 0.00 H new ATOM 0 HG LEU A 71 2.447 7.522 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.971 7.669 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.319 8.287 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.224 9.423 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.618 7.942 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.876 9.695 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.287 8.749 -3.542 1.00 0.00 H new ATOM 1142 N GLU A 72 5.168 10.853 -3.002 1.00 0.00 N ATOM 1143 CA GLU A 72 6.200 11.276 -2.014 1.00 0.00 C ATOM 1144 C GLU A 72 5.574 12.167 -0.939 1.00 0.00 C ATOM 1145 O GLU A 72 4.833 13.084 -1.230 1.00 0.00 O ATOM 1146 CB GLU A 72 7.301 12.053 -2.736 1.00 0.00 C ATOM 1147 CG GLU A 72 6.702 13.305 -3.379 1.00 0.00 C ATOM 1148 CD GLU A 72 6.967 13.284 -4.885 1.00 0.00 C ATOM 1149 OE1 GLU A 72 6.548 12.336 -5.528 1.00 0.00 O ATOM 1150 OE2 GLU A 72 7.583 14.218 -5.372 1.00 0.00 O ATOM 0 H GLU A 72 4.410 11.517 -3.159 1.00 0.00 H new ATOM 0 HA GLU A 72 6.619 10.389 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.085 12.332 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.764 11.426 -3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.630 13.346 -3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.139 14.199 -2.935 1.00 0.00 H new ATOM 1157 N TYR A 73 5.882 11.908 0.304 1.00 0.00 N ATOM 1158 CA TYR A 73 5.323 12.744 1.405 1.00 0.00 C ATOM 1159 C TYR A 73 6.350 13.816 1.778 1.00 0.00 C ATOM 1160 O TYR A 73 7.447 13.514 2.208 1.00 0.00 O ATOM 1161 CB TYR A 73 5.040 11.864 2.626 1.00 0.00 C ATOM 1162 CG TYR A 73 3.673 12.188 3.187 1.00 0.00 C ATOM 1163 CD1 TYR A 73 3.448 13.417 3.820 1.00 0.00 C ATOM 1164 CD2 TYR A 73 2.634 11.256 3.078 1.00 0.00 C ATOM 1165 CE1 TYR A 73 2.183 13.713 4.344 1.00 0.00 C ATOM 1166 CE2 TYR A 73 1.369 11.552 3.602 1.00 0.00 C ATOM 1167 CZ TYR A 73 1.144 12.781 4.235 1.00 0.00 C ATOM 1168 OH TYR A 73 -0.102 13.073 4.751 1.00 0.00 O ATOM 0 H TYR A 73 6.498 11.152 0.604 1.00 0.00 H new ATOM 0 HA TYR A 73 4.395 13.213 1.079 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.088 10.812 2.346 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.803 12.026 3.387 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.249 14.136 3.904 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.808 10.308 2.590 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.009 14.661 4.832 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.568 10.833 3.518 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.253 14.041 4.715 1.00 0.00 H new ATOM 1178 N GLU A 74 6.011 15.064 1.611 1.00 0.00 N ATOM 1179 CA GLU A 74 6.975 16.151 1.950 1.00 0.00 C ATOM 1180 C GLU A 74 6.477 16.911 3.175 1.00 0.00 C ATOM 1181 O GLU A 74 5.624 17.771 3.086 1.00 0.00 O ATOM 1182 CB GLU A 74 7.092 17.110 0.761 1.00 0.00 C ATOM 1183 CG GLU A 74 8.298 18.030 0.956 1.00 0.00 C ATOM 1184 CD GLU A 74 7.914 19.462 0.576 1.00 0.00 C ATOM 1185 OE1 GLU A 74 7.404 20.166 1.431 1.00 0.00 O ATOM 1186 OE2 GLU A 74 8.135 19.830 -0.567 1.00 0.00 O ATOM 0 H GLU A 74 5.109 15.379 1.255 1.00 0.00 H new ATOM 0 HA GLU A 74 7.952 15.720 2.168 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.200 16.545 -0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.182 17.703 0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.632 17.995 1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.131 17.690 0.341 1.00 0.00 H new ATOM 1193 N PHE A 75 7.015 16.602 4.318 1.00 0.00 N ATOM 1194 CA PHE A 75 6.596 17.295 5.556 1.00 0.00 C ATOM 1195 C PHE A 75 7.299 18.655 5.613 1.00 0.00 C ATOM 1196 O PHE A 75 8.180 18.923 4.821 1.00 0.00 O ATOM 1197 CB PHE A 75 7.017 16.436 6.745 1.00 0.00 C ATOM 1198 CG PHE A 75 5.871 15.545 7.167 1.00 0.00 C ATOM 1199 CD1 PHE A 75 4.713 16.100 7.725 1.00 0.00 C ATOM 1200 CD2 PHE A 75 5.970 14.159 6.996 1.00 0.00 C ATOM 1201 CE1 PHE A 75 3.655 15.268 8.111 1.00 0.00 C ATOM 1202 CE2 PHE A 75 4.913 13.327 7.383 1.00 0.00 C ATOM 1203 CZ PHE A 75 3.755 13.882 7.940 1.00 0.00 C ATOM 0 H PHE A 75 7.735 15.891 4.445 1.00 0.00 H new ATOM 0 HA PHE A 75 5.517 17.447 5.578 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.882 15.829 6.478 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.319 17.073 7.576 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.636 17.169 7.858 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.863 13.731 6.565 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.761 15.696 8.541 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.991 12.258 7.252 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.938 13.241 8.238 1.00 0.00 H new ATOM 1213 N PRO A 76 6.888 19.479 6.542 1.00 0.00 N ATOM 1214 CA PRO A 76 7.471 20.824 6.708 1.00 0.00 C ATOM 1215 C PRO A 76 8.959 20.751 7.074 1.00 0.00 C ATOM 1216 O PRO A 76 9.614 21.766 7.215 1.00 0.00 O ATOM 1217 CB PRO A 76 6.669 21.460 7.851 1.00 0.00 C ATOM 1218 CG PRO A 76 5.634 20.415 8.341 1.00 0.00 C ATOM 1219 CD PRO A 76 5.810 19.147 7.490 1.00 0.00 C ATOM 0 HA PRO A 76 7.416 21.401 5.785 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.331 21.753 8.666 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.166 22.364 7.508 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.787 20.191 9.397 1.00 0.00 H new ATOM 0 HG3 PRO A 76 4.621 20.805 8.242 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.076 18.289 8.108 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.889 18.890 6.968 1.00 0.00 H new ATOM 1227 N ASP A 77 9.506 19.576 7.239 1.00 0.00 N ATOM 1228 CA ASP A 77 10.945 19.492 7.605 1.00 0.00 C ATOM 1229 C ASP A 77 11.636 18.303 6.926 1.00 0.00 C ATOM 1230 O ASP A 77 12.846 18.268 6.819 1.00 0.00 O ATOM 1231 CB ASP A 77 11.071 19.352 9.123 1.00 0.00 C ATOM 1232 CG ASP A 77 12.393 19.966 9.587 1.00 0.00 C ATOM 1233 OD1 ASP A 77 13.423 19.572 9.064 1.00 0.00 O ATOM 1234 OD2 ASP A 77 12.353 20.819 10.457 1.00 0.00 O ATOM 0 H ASP A 77 9.024 18.683 7.137 1.00 0.00 H new ATOM 0 HA ASP A 77 11.434 20.404 7.263 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.235 19.849 9.615 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.028 18.300 9.406 1.00 0.00 H new ATOM 1239 N ARG A 78 10.902 17.319 6.491 1.00 0.00 N ATOM 1240 CA ARG A 78 11.544 16.144 5.862 1.00 0.00 C ATOM 1241 C ARG A 78 10.936 15.870 4.484 1.00 0.00 C ATOM 1242 O ARG A 78 9.869 16.348 4.153 1.00 0.00 O ATOM 1243 CB ARG A 78 11.334 14.928 6.762 1.00 0.00 C ATOM 1244 CG ARG A 78 10.304 15.230 7.857 1.00 0.00 C ATOM 1245 CD ARG A 78 10.181 14.025 8.790 1.00 0.00 C ATOM 1246 NE ARG A 78 9.734 14.484 10.135 1.00 0.00 N ATOM 1247 CZ ARG A 78 9.271 13.623 10.998 1.00 0.00 C ATOM 1248 NH1 ARG A 78 8.397 12.730 10.621 1.00 0.00 N ATOM 1249 NH2 ARG A 78 9.677 13.656 12.238 1.00 0.00 N ATOM 0 H ARG A 78 9.884 17.282 6.546 1.00 0.00 H new ATOM 0 HA ARG A 78 12.608 16.343 5.736 1.00 0.00 H new ATOM 0 HB2 ARG A 78 10.997 14.081 6.164 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.281 14.640 7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.607 16.111 8.422 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.337 15.456 7.408 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.469 13.307 8.383 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.140 13.513 8.869 1.00 0.00 H new ATOM 0 HE ARG A 78 9.790 15.472 10.381 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.077 12.706 9.653 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.034 12.056 11.295 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.357 14.356 12.533 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.314 12.982 12.912 1.00 0.00 H new ATOM 1263 N HIS A 79 11.617 15.094 3.683 1.00 0.00 N ATOM 1264 CA HIS A 79 11.101 14.766 2.322 1.00 0.00 C ATOM 1265 C HIS A 79 11.099 13.245 2.151 1.00 0.00 C ATOM 1266 O HIS A 79 11.939 12.684 1.475 1.00 0.00 O ATOM 1267 CB HIS A 79 12.010 15.401 1.267 1.00 0.00 C ATOM 1268 CG HIS A 79 12.572 16.690 1.803 1.00 0.00 C ATOM 1269 ND1 HIS A 79 11.981 17.746 2.450 1.00 0.00 N flip ATOM 1270 CD2 HIS A 79 13.918 17.008 1.710 1.00 0.00 C flip ATOM 1271 CE1 HIS A 79 12.941 18.705 2.757 1.00 0.00 C flip ATOM 1272 NE2 HIS A 79 14.091 18.211 2.289 1.00 0.00 N flip ATOM 0 H HIS A 79 12.515 14.670 3.915 1.00 0.00 H new ATOM 0 HA HIS A 79 10.089 15.153 2.202 1.00 0.00 H new ATOM 0 HB2 HIS A 79 12.819 14.718 1.009 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.448 15.589 0.352 1.00 0.00 H new ATOM 0 HD2 HIS A 79 14.688 16.401 1.256 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.789 19.646 3.264 1.00 0.00 H new ATOM 0 HE2 HIS A 79 14.990 18.687 2.362 1.00 0.00 H new ATOM 1280 N ILE A 80 10.174 12.573 2.780 1.00 0.00 N ATOM 1281 CA ILE A 80 10.118 11.096 2.688 1.00 0.00 C ATOM 1282 C ILE A 80 9.480 10.663 1.365 1.00 0.00 C ATOM 1283 O ILE A 80 9.182 11.473 0.510 1.00 0.00 O ATOM 1284 CB ILE A 80 9.281 10.588 3.858 1.00 0.00 C ATOM 1285 CG1 ILE A 80 7.795 10.843 3.582 1.00 0.00 C ATOM 1286 CG2 ILE A 80 9.690 11.327 5.134 1.00 0.00 C ATOM 1287 CD1 ILE A 80 7.061 9.507 3.452 1.00 0.00 C ATOM 0 H ILE A 80 9.448 12.994 3.360 1.00 0.00 H new ATOM 0 HA ILE A 80 11.125 10.682 2.726 1.00 0.00 H new ATOM 0 HB ILE A 80 9.448 9.518 3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 80 7.360 11.431 4.390 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.679 11.424 2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 80 9.093 10.965 5.971 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.746 11.147 5.336 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.523 12.396 5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.005 9.690 3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.489 8.935 2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.166 8.943 4.379 1.00 0.00 H new ATOM 1299 N THR A 81 9.272 9.384 1.194 1.00 0.00 N ATOM 1300 CA THR A 81 8.656 8.883 -0.067 1.00 0.00 C ATOM 1301 C THR A 81 7.884 7.594 0.227 1.00 0.00 C ATOM 1302 O THR A 81 8.190 6.873 1.156 1.00 0.00 O ATOM 1303 CB THR A 81 9.757 8.597 -1.093 1.00 0.00 C ATOM 1304 OG1 THR A 81 10.745 9.615 -1.020 1.00 0.00 O ATOM 1305 CG2 THR A 81 9.156 8.567 -2.499 1.00 0.00 C ATOM 0 H THR A 81 9.504 8.663 1.877 1.00 0.00 H new ATOM 0 HA THR A 81 7.975 9.634 -0.467 1.00 0.00 H new ATOM 0 HB THR A 81 10.212 7.631 -0.876 1.00 0.00 H new ATOM 0 HG1 THR A 81 11.451 9.433 -1.675 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.942 8.363 -3.226 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.399 7.785 -2.554 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.698 9.531 -2.720 1.00 0.00 H new ATOM 1313 N LEU A 82 6.885 7.295 -0.557 1.00 0.00 N ATOM 1314 CA LEU A 82 6.096 6.051 -0.321 1.00 0.00 C ATOM 1315 C LEU A 82 5.992 5.263 -1.626 1.00 0.00 C ATOM 1316 O LEU A 82 5.870 5.834 -2.690 1.00 0.00 O ATOM 1317 CB LEU A 82 4.694 6.421 0.164 1.00 0.00 C ATOM 1318 CG LEU A 82 4.421 5.738 1.503 1.00 0.00 C ATOM 1319 CD1 LEU A 82 4.281 6.796 2.598 1.00 0.00 C ATOM 1320 CD2 LEU A 82 3.125 4.927 1.408 1.00 0.00 C ATOM 0 H LEU A 82 6.580 7.858 -1.351 1.00 0.00 H new ATOM 0 HA LEU A 82 6.592 5.442 0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.608 7.502 0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.950 6.114 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 82 5.249 5.073 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.086 6.308 3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.203 7.373 2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.453 7.463 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.930 4.440 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.297 5.592 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.225 4.171 0.629 1.00 0.00 H new ATOM 1332 N TRP A 83 6.038 3.959 -1.558 1.00 0.00 N ATOM 1333 CA TRP A 83 5.944 3.146 -2.805 1.00 0.00 C ATOM 1334 C TRP A 83 4.941 2.007 -2.608 1.00 0.00 C ATOM 1335 O TRP A 83 5.026 1.249 -1.664 1.00 0.00 O ATOM 1336 CB TRP A 83 7.311 2.531 -3.162 1.00 0.00 C ATOM 1337 CG TRP A 83 8.384 3.012 -2.232 1.00 0.00 C ATOM 1338 CD1 TRP A 83 8.367 2.885 -0.885 1.00 0.00 C ATOM 1339 CD2 TRP A 83 9.640 3.674 -2.563 1.00 0.00 C ATOM 1340 NE1 TRP A 83 9.519 3.448 -0.369 1.00 0.00 N ATOM 1341 CE2 TRP A 83 10.335 3.945 -1.366 1.00 0.00 C ATOM 1342 CE3 TRP A 83 10.234 4.071 -3.775 1.00 0.00 C ATOM 1343 CZ2 TRP A 83 11.572 4.584 -1.370 1.00 0.00 C ATOM 1344 CZ3 TRP A 83 11.486 4.714 -3.779 1.00 0.00 C ATOM 1345 CH2 TRP A 83 12.151 4.970 -2.576 1.00 0.00 C ATOM 0 H TRP A 83 6.136 3.423 -0.696 1.00 0.00 H new ATOM 0 HA TRP A 83 5.620 3.804 -3.611 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.247 1.444 -3.115 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.572 2.791 -4.188 1.00 0.00 H new ATOM 0 HD1 TRP A 83 7.582 2.420 -0.308 1.00 0.00 H new ATOM 0 HE1 TRP A 83 9.739 3.491 0.626 1.00 0.00 H new ATOM 0 HE3 TRP A 83 9.726 3.881 -4.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 12.082 4.780 -0.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.935 5.011 -4.715 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.111 5.466 -2.582 1.00 0.00 H new ATOM 1356 N PHE A 84 4.006 1.866 -3.509 1.00 0.00 N ATOM 1357 CA PHE A 84 3.014 0.757 -3.391 1.00 0.00 C ATOM 1358 C PHE A 84 3.097 -0.102 -4.654 1.00 0.00 C ATOM 1359 O PHE A 84 2.585 0.262 -5.694 1.00 0.00 O ATOM 1360 CB PHE A 84 1.585 1.305 -3.253 1.00 0.00 C ATOM 1361 CG PHE A 84 1.596 2.782 -2.932 1.00 0.00 C ATOM 1362 CD1 PHE A 84 2.043 3.708 -3.882 1.00 0.00 C ATOM 1363 CD2 PHE A 84 1.138 3.226 -1.685 1.00 0.00 C ATOM 1364 CE1 PHE A 84 2.030 5.076 -3.585 1.00 0.00 C ATOM 1365 CE2 PHE A 84 1.129 4.592 -1.388 1.00 0.00 C ATOM 1366 CZ PHE A 84 1.573 5.516 -2.337 1.00 0.00 C ATOM 0 H PHE A 84 3.886 2.470 -4.322 1.00 0.00 H new ATOM 0 HA PHE A 84 3.244 0.170 -2.502 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.036 1.135 -4.179 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.059 0.763 -2.467 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.398 3.367 -4.843 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.791 2.512 -0.952 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.372 5.791 -4.318 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.779 4.933 -0.425 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.564 6.571 -2.108 1.00 0.00 H new ATOM 1376 N TRP A 85 3.755 -1.227 -4.582 1.00 0.00 N ATOM 1377 CA TRP A 85 3.881 -2.086 -5.795 1.00 0.00 C ATOM 1378 C TRP A 85 2.605 -2.901 -6.012 1.00 0.00 C ATOM 1379 O TRP A 85 2.510 -4.053 -5.638 1.00 0.00 O ATOM 1380 CB TRP A 85 5.087 -3.021 -5.645 1.00 0.00 C ATOM 1381 CG TRP A 85 4.847 -4.032 -4.565 1.00 0.00 C ATOM 1382 CD1 TRP A 85 3.959 -3.909 -3.549 1.00 0.00 C ATOM 1383 CD2 TRP A 85 5.505 -5.319 -4.377 1.00 0.00 C ATOM 1384 NE1 TRP A 85 4.031 -5.041 -2.754 1.00 0.00 N ATOM 1385 CE2 TRP A 85 4.969 -5.939 -3.224 1.00 0.00 C ATOM 1386 CE3 TRP A 85 6.506 -6.002 -5.092 1.00 0.00 C ATOM 1387 CZ2 TRP A 85 5.411 -7.193 -2.795 1.00 0.00 C ATOM 1388 CZ3 TRP A 85 6.953 -7.263 -4.665 1.00 0.00 C ATOM 1389 CH2 TRP A 85 6.407 -7.856 -3.519 1.00 0.00 C ATOM 0 H TRP A 85 4.208 -1.587 -3.742 1.00 0.00 H new ATOM 0 HA TRP A 85 4.030 -1.445 -6.664 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.278 -3.530 -6.590 1.00 0.00 H new ATOM 0 HB3 TRP A 85 5.978 -2.438 -5.412 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.303 -3.067 -3.386 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.460 -5.193 -1.922 1.00 0.00 H new ATOM 0 HE3 TRP A 85 6.934 -5.553 -5.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 4.987 -7.647 -1.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 7.721 -7.778 -5.223 1.00 0.00 H new ATOM 0 HH2 TRP A 85 6.755 -8.825 -3.195 1.00 0.00 H new ATOM 1400 N LEU A 86 1.625 -2.308 -6.636 1.00 0.00 N ATOM 1401 CA LEU A 86 0.352 -3.034 -6.900 1.00 0.00 C ATOM 1402 C LEU A 86 0.654 -4.361 -7.592 1.00 0.00 C ATOM 1403 O LEU A 86 1.122 -4.395 -8.713 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.534 -2.181 -7.811 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.961 -2.163 -7.267 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -1.960 -1.577 -5.857 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -2.837 -1.301 -8.176 1.00 0.00 C ATOM 0 H LEU A 86 1.652 -1.347 -6.976 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.161 -3.224 -5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.143 -1.165 -7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.525 -2.583 -8.824 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.354 -3.179 -7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.978 -1.564 -5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.332 -2.189 -5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.569 -0.560 -5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.857 -1.286 -7.791 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.444 -0.285 -8.203 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.836 -1.717 -9.183 1.00 0.00 H new ATOM 1419 N VAL A 87 0.388 -5.457 -6.937 1.00 0.00 N ATOM 1420 CA VAL A 87 0.659 -6.777 -7.558 1.00 0.00 C ATOM 1421 C VAL A 87 -0.531 -7.188 -8.430 1.00 0.00 C ATOM 1422 O VAL A 87 -1.365 -6.376 -8.780 1.00 0.00 O ATOM 1423 CB VAL A 87 0.864 -7.806 -6.457 1.00 0.00 C ATOM 1424 CG1 VAL A 87 1.898 -7.294 -5.452 1.00 0.00 C ATOM 1425 CG2 VAL A 87 -0.460 -8.059 -5.745 1.00 0.00 C ATOM 0 H VAL A 87 -0.006 -5.492 -5.997 1.00 0.00 H new ATOM 0 HA VAL A 87 1.553 -6.717 -8.179 1.00 0.00 H new ATOM 0 HB VAL A 87 1.224 -8.736 -6.897 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.040 -8.036 -4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.846 -7.120 -5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.546 -6.361 -5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.314 -8.796 -4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.822 -7.128 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.192 -8.434 -6.460 1.00 0.00 H new ATOM 1435 N GLU A 88 -0.616 -8.441 -8.790 1.00 0.00 N ATOM 1436 CA GLU A 88 -1.753 -8.892 -9.645 1.00 0.00 C ATOM 1437 C GLU A 88 -2.297 -10.236 -9.144 1.00 0.00 C ATOM 1438 O GLU A 88 -3.473 -10.516 -9.266 1.00 0.00 O ATOM 1439 CB GLU A 88 -1.274 -9.044 -11.090 1.00 0.00 C ATOM 1440 CG GLU A 88 -0.873 -7.675 -11.642 1.00 0.00 C ATOM 1441 CD GLU A 88 -0.759 -7.754 -13.165 1.00 0.00 C ATOM 1442 OE1 GLU A 88 -0.979 -8.828 -13.700 1.00 0.00 O ATOM 1443 OE2 GLU A 88 -0.453 -6.740 -13.769 1.00 0.00 O ATOM 0 H GLU A 88 0.049 -9.169 -8.530 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.548 -8.148 -9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.426 -9.728 -11.133 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.065 -9.477 -11.703 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.613 -6.926 -11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.078 -7.361 -11.211 1.00 0.00 H new ATOM 1450 N ARG A 89 -1.463 -11.075 -8.588 1.00 0.00 N ATOM 1451 CA ARG A 89 -1.963 -12.390 -8.088 1.00 0.00 C ATOM 1452 C ARG A 89 -0.955 -12.995 -7.104 1.00 0.00 C ATOM 1453 O ARG A 89 0.115 -12.463 -6.888 1.00 0.00 O ATOM 1454 CB ARG A 89 -2.192 -13.358 -9.258 1.00 0.00 C ATOM 1455 CG ARG A 89 -1.321 -12.974 -10.459 1.00 0.00 C ATOM 1456 CD ARG A 89 -2.210 -12.480 -11.602 1.00 0.00 C ATOM 1457 NE ARG A 89 -1.808 -13.160 -12.866 1.00 0.00 N ATOM 1458 CZ ARG A 89 -2.595 -13.129 -13.907 1.00 0.00 C ATOM 1459 NH1 ARG A 89 -3.495 -14.059 -14.073 1.00 0.00 N ATOM 1460 NH2 ARG A 89 -2.480 -12.169 -14.783 1.00 0.00 N ATOM 0 H ARG A 89 -0.465 -10.909 -8.459 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.912 -12.228 -7.576 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.960 -14.376 -8.945 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.243 -13.345 -9.546 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.613 -12.196 -10.173 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.736 -13.833 -10.786 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.257 -12.688 -11.380 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.116 -11.400 -11.711 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.915 -13.651 -12.918 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.584 -14.811 -13.389 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.110 -14.034 -14.887 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.775 -11.443 -14.654 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.095 -12.145 -15.597 1.00 0.00 H new ATOM 1474 N TRP A 90 -1.291 -14.110 -6.506 1.00 0.00 N ATOM 1475 CA TRP A 90 -0.351 -14.754 -5.539 1.00 0.00 C ATOM 1476 C TRP A 90 -0.956 -16.034 -4.986 1.00 0.00 C ATOM 1477 O TRP A 90 -1.949 -16.541 -5.471 1.00 0.00 O ATOM 1478 CB TRP A 90 -0.084 -13.827 -4.354 1.00 0.00 C ATOM 1479 CG TRP A 90 -1.353 -13.646 -3.581 1.00 0.00 C ATOM 1480 CD1 TRP A 90 -1.746 -14.404 -2.527 1.00 0.00 C ATOM 1481 CD2 TRP A 90 -2.404 -12.669 -3.793 1.00 0.00 C ATOM 1482 NE1 TRP A 90 -2.972 -13.941 -2.072 1.00 0.00 N ATOM 1483 CE2 TRP A 90 -3.419 -12.875 -2.827 1.00 0.00 C ATOM 1484 CE3 TRP A 90 -2.572 -11.631 -4.722 1.00 0.00 C ATOM 1485 CZ2 TRP A 90 -4.560 -12.078 -2.790 1.00 0.00 C ATOM 1486 CZ3 TRP A 90 -3.717 -10.828 -4.683 1.00 0.00 C ATOM 1487 CH2 TRP A 90 -4.711 -11.050 -3.721 1.00 0.00 C ATOM 0 H TRP A 90 -2.174 -14.601 -6.645 1.00 0.00 H new ATOM 0 HA TRP A 90 0.575 -14.966 -6.074 1.00 0.00 H new ATOM 0 HB2 TRP A 90 0.690 -14.249 -3.713 1.00 0.00 H new ATOM 0 HB3 TRP A 90 0.283 -12.863 -4.706 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.194 -15.233 -2.110 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -3.479 -14.338 -1.281 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -1.814 -11.451 -5.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.323 -12.254 -2.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -3.836 -10.030 -5.401 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -5.593 -10.426 -3.700 1.00 0.00 H new ATOM 1498 N GLU A 91 -0.343 -16.556 -3.966 1.00 0.00 N ATOM 1499 CA GLU A 91 -0.835 -17.800 -3.347 1.00 0.00 C ATOM 1500 C GLU A 91 -0.687 -17.719 -1.823 1.00 0.00 C ATOM 1501 O GLU A 91 0.366 -17.992 -1.281 1.00 0.00 O ATOM 1502 CB GLU A 91 0.019 -18.936 -3.869 1.00 0.00 C ATOM 1503 CG GLU A 91 -0.776 -20.227 -3.789 1.00 0.00 C ATOM 1504 CD GLU A 91 -0.113 -21.301 -4.653 1.00 0.00 C ATOM 1505 OE1 GLU A 91 1.078 -21.187 -4.896 1.00 0.00 O ATOM 1506 OE2 GLU A 91 -0.806 -22.219 -5.058 1.00 0.00 O ATOM 0 H GLU A 91 0.492 -16.162 -3.532 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.886 -17.955 -3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 91 0.317 -18.741 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 91 0.934 -19.020 -3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.834 -20.565 -2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.798 -20.056 -4.126 1.00 0.00 H new ATOM 1513 N GLY A 92 -1.729 -17.351 -1.120 1.00 0.00 N ATOM 1514 CA GLY A 92 -1.624 -17.265 0.370 1.00 0.00 C ATOM 1515 C GLY A 92 -2.463 -16.094 0.895 1.00 0.00 C ATOM 1516 O GLY A 92 -3.450 -15.708 0.300 1.00 0.00 O ATOM 0 H GLY A 92 -2.640 -17.108 -1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.966 -18.197 0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.582 -17.134 0.661 1.00 0.00 H new ATOM 1520 N GLU A 93 -2.080 -15.529 2.014 1.00 0.00 N ATOM 1521 CA GLU A 93 -2.858 -14.391 2.587 1.00 0.00 C ATOM 1522 C GLU A 93 -2.081 -13.078 2.380 1.00 0.00 C ATOM 1523 O GLU A 93 -1.037 -12.892 2.960 1.00 0.00 O ATOM 1524 CB GLU A 93 -3.059 -14.628 4.085 1.00 0.00 C ATOM 1525 CG GLU A 93 -4.497 -14.290 4.473 1.00 0.00 C ATOM 1526 CD GLU A 93 -4.490 -13.403 5.719 1.00 0.00 C ATOM 1527 OE1 GLU A 93 -4.263 -13.930 6.796 1.00 0.00 O ATOM 1528 OE2 GLU A 93 -4.708 -12.211 5.575 1.00 0.00 O ATOM 0 H GLU A 93 -1.261 -15.808 2.554 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.825 -14.321 2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.841 -15.667 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.364 -14.013 4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.997 -13.778 3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.058 -15.204 4.667 1.00 0.00 H new ATOM 1535 N PRO A 94 -2.612 -12.213 1.548 1.00 0.00 N ATOM 1536 CA PRO A 94 -1.979 -10.912 1.216 1.00 0.00 C ATOM 1537 C PRO A 94 -1.703 -10.028 2.445 1.00 0.00 C ATOM 1538 O PRO A 94 -2.579 -9.769 3.246 1.00 0.00 O ATOM 1539 CB PRO A 94 -3.012 -10.211 0.318 1.00 0.00 C ATOM 1540 CG PRO A 94 -4.284 -11.083 0.305 1.00 0.00 C ATOM 1541 CD PRO A 94 -3.899 -12.450 0.865 1.00 0.00 C ATOM 0 HA PRO A 94 -1.006 -11.075 0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -3.235 -9.214 0.697 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.621 -10.088 -0.692 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -5.069 -10.627 0.908 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -4.675 -11.178 -0.708 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.654 -12.824 1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.798 -13.191 0.072 1.00 0.00 H new ATOM 1549 N TRP A 95 -0.497 -9.512 2.558 1.00 0.00 N ATOM 1550 CA TRP A 95 -0.170 -8.583 3.681 1.00 0.00 C ATOM 1551 C TRP A 95 -0.061 -7.179 3.102 1.00 0.00 C ATOM 1552 O TRP A 95 -0.397 -6.942 1.959 1.00 0.00 O ATOM 1553 CB TRP A 95 1.181 -8.931 4.310 1.00 0.00 C ATOM 1554 CG TRP A 95 2.192 -9.199 3.238 1.00 0.00 C ATOM 1555 CD1 TRP A 95 2.426 -10.405 2.679 1.00 0.00 C ATOM 1556 CD2 TRP A 95 3.113 -8.267 2.594 1.00 0.00 C ATOM 1557 NE1 TRP A 95 3.427 -10.284 1.736 1.00 0.00 N ATOM 1558 CE2 TRP A 95 3.886 -8.981 1.645 1.00 0.00 C ATOM 1559 CE3 TRP A 95 3.352 -6.887 2.738 1.00 0.00 C ATOM 1560 CZ2 TRP A 95 4.859 -8.343 0.871 1.00 0.00 C ATOM 1561 CZ3 TRP A 95 4.333 -6.250 1.956 1.00 0.00 C ATOM 1562 CH2 TRP A 95 5.078 -6.981 1.031 1.00 0.00 C ATOM 0 H TRP A 95 0.273 -9.698 1.916 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.946 -8.660 4.442 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.519 -8.110 4.943 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.078 -9.806 4.951 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.911 -11.321 2.930 1.00 0.00 H new ATOM 0 HE1 TRP A 95 3.784 -11.058 1.176 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.779 -6.314 3.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.437 -8.906 0.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.510 -5.191 2.073 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.830 -6.485 0.435 1.00 0.00 H new ATOM 1573 N GLY A 96 0.431 -6.248 3.864 1.00 0.00 N ATOM 1574 CA GLY A 96 0.583 -4.876 3.317 1.00 0.00 C ATOM 1575 C GLY A 96 0.821 -3.855 4.436 1.00 0.00 C ATOM 1576 O GLY A 96 1.250 -2.745 4.188 1.00 0.00 O ATOM 0 H GLY A 96 0.731 -6.374 4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.417 -4.852 2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.312 -4.604 2.757 1.00 0.00 H new ATOM 1580 N LYS A 97 0.555 -4.210 5.662 1.00 0.00 N ATOM 1581 CA LYS A 97 0.778 -3.249 6.779 1.00 0.00 C ATOM 1582 C LYS A 97 1.837 -3.804 7.736 1.00 0.00 C ATOM 1583 O LYS A 97 3.024 -3.700 7.492 1.00 0.00 O ATOM 1584 CB LYS A 97 -0.534 -3.024 7.534 1.00 0.00 C ATOM 1585 CG LYS A 97 -0.260 -2.167 8.766 1.00 0.00 C ATOM 1586 CD LYS A 97 -1.394 -1.157 8.952 1.00 0.00 C ATOM 1587 CE LYS A 97 -1.620 -0.920 10.445 1.00 0.00 C ATOM 1588 NZ LYS A 97 -0.482 -0.133 10.998 1.00 0.00 N ATOM 0 H LYS A 97 0.193 -5.123 5.939 1.00 0.00 H new ATOM 0 HA LYS A 97 1.126 -2.300 6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.260 -2.532 6.887 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.967 -3.980 7.829 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.174 -2.800 9.650 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.690 -1.645 8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.145 -0.218 8.457 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.308 -1.529 8.489 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.557 -0.385 10.602 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.705 -1.873 10.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.666 0.088 11.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.394 -0.688 10.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.379 0.752 10.461 1.00 0.00 H new ATOM 1602 N GLU A 98 1.420 -4.387 8.823 1.00 0.00 N ATOM 1603 CA GLU A 98 2.399 -4.947 9.798 1.00 0.00 C ATOM 1604 C GLU A 98 1.942 -6.339 10.234 1.00 0.00 C ATOM 1605 O GLU A 98 2.232 -6.785 11.327 1.00 0.00 O ATOM 1606 CB GLU A 98 2.474 -4.032 11.023 1.00 0.00 C ATOM 1607 CG GLU A 98 3.940 -3.775 11.382 1.00 0.00 C ATOM 1608 CD GLU A 98 4.023 -3.186 12.791 1.00 0.00 C ATOM 1609 OE1 GLU A 98 3.292 -3.651 13.651 1.00 0.00 O ATOM 1610 OE2 GLU A 98 4.814 -2.278 12.987 1.00 0.00 O ATOM 0 H GLU A 98 0.440 -4.501 9.081 1.00 0.00 H new ATOM 0 HA GLU A 98 3.381 -5.015 9.331 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.969 -3.089 10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.958 -4.492 11.866 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.507 -4.705 11.331 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.387 -3.089 10.662 1.00 0.00 H new ATOM 1617 N GLY A 99 1.226 -7.030 9.390 1.00 0.00 N ATOM 1618 CA GLY A 99 0.749 -8.393 9.757 1.00 0.00 C ATOM 1619 C GLY A 99 -0.678 -8.307 10.305 1.00 0.00 C ATOM 1620 O GLY A 99 -1.124 -9.170 11.035 1.00 0.00 O ATOM 0 H GLY A 99 0.951 -6.709 8.462 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.776 -9.046 8.885 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.410 -8.832 10.504 1.00 0.00 H new ATOM 1624 N GLN A 100 -1.398 -7.273 9.964 1.00 0.00 N ATOM 1625 CA GLN A 100 -2.791 -7.138 10.471 1.00 0.00 C ATOM 1626 C GLN A 100 -3.782 -7.510 9.360 1.00 0.00 C ATOM 1627 O GLN A 100 -3.408 -7.628 8.211 1.00 0.00 O ATOM 1628 CB GLN A 100 -3.030 -5.693 10.909 1.00 0.00 C ATOM 1629 CG GLN A 100 -3.143 -5.637 12.433 1.00 0.00 C ATOM 1630 CD GLN A 100 -2.519 -4.338 12.947 1.00 0.00 C ATOM 1631 OE1 GLN A 100 -1.951 -3.579 12.187 1.00 0.00 O ATOM 1632 NE2 GLN A 100 -2.601 -4.047 14.218 1.00 0.00 N ATOM 0 H GLN A 100 -1.081 -6.517 9.357 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.937 -7.806 11.320 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -2.211 -5.058 10.570 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -3.941 -5.308 10.451 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.190 -5.693 12.732 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.638 -6.495 12.877 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.078 -4.683 14.857 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.189 -3.184 14.571 1.00 0.00 H new ATOM 1641 N PRO A 101 -5.022 -7.693 9.743 1.00 0.00 N ATOM 1642 CA PRO A 101 -6.093 -8.063 8.799 1.00 0.00 C ATOM 1643 C PRO A 101 -6.332 -6.936 7.790 1.00 0.00 C ATOM 1644 O PRO A 101 -6.531 -5.796 8.156 1.00 0.00 O ATOM 1645 CB PRO A 101 -7.336 -8.263 9.677 1.00 0.00 C ATOM 1646 CG PRO A 101 -6.949 -7.896 11.132 1.00 0.00 C ATOM 1647 CD PRO A 101 -5.454 -7.547 11.145 1.00 0.00 C ATOM 0 HA PRO A 101 -5.844 -8.954 8.223 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.155 -7.634 9.329 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.681 -9.295 9.622 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.542 -7.052 11.484 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.153 -8.730 11.804 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.288 -6.532 11.507 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -4.897 -8.215 11.802 1.00 0.00 H new ATOM 1655 N GLY A 102 -6.321 -7.250 6.522 1.00 0.00 N ATOM 1656 CA GLY A 102 -6.559 -6.200 5.489 1.00 0.00 C ATOM 1657 C GLY A 102 -7.980 -6.350 4.943 1.00 0.00 C ATOM 1658 O GLY A 102 -8.684 -7.278 5.287 1.00 0.00 O ATOM 0 H GLY A 102 -6.157 -8.188 6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.425 -5.209 5.922 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.833 -6.296 4.681 1.00 0.00 H new ATOM 1662 N GLU A 103 -8.422 -5.445 4.106 1.00 0.00 N ATOM 1663 CA GLU A 103 -9.810 -5.563 3.572 1.00 0.00 C ATOM 1664 C GLU A 103 -9.788 -5.856 2.074 1.00 0.00 C ATOM 1665 O GLU A 103 -8.887 -5.473 1.360 1.00 0.00 O ATOM 1666 CB GLU A 103 -10.565 -4.257 3.809 1.00 0.00 C ATOM 1667 CG GLU A 103 -10.401 -3.832 5.264 1.00 0.00 C ATOM 1668 CD GLU A 103 -10.866 -4.963 6.183 1.00 0.00 C ATOM 1669 OE1 GLU A 103 -11.556 -5.846 5.701 1.00 0.00 O ATOM 1670 OE2 GLU A 103 -10.524 -4.928 7.354 1.00 0.00 O ATOM 0 H GLU A 103 -7.889 -4.641 3.774 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.308 -6.383 4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.185 -3.479 3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.621 -4.387 3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.358 -3.590 5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.981 -2.930 5.458 1.00 0.00 H new ATOM 1677 N TRP A 104 -10.797 -6.523 1.600 1.00 0.00 N ATOM 1678 CA TRP A 104 -10.877 -6.840 0.144 1.00 0.00 C ATOM 1679 C TRP A 104 -11.886 -5.893 -0.516 1.00 0.00 C ATOM 1680 O TRP A 104 -13.081 -6.080 -0.415 1.00 0.00 O ATOM 1681 CB TRP A 104 -11.347 -8.285 -0.047 1.00 0.00 C ATOM 1682 CG TRP A 104 -10.862 -9.132 1.086 1.00 0.00 C ATOM 1683 CD1 TRP A 104 -9.684 -8.969 1.733 1.00 0.00 C ATOM 1684 CD2 TRP A 104 -11.520 -10.270 1.712 1.00 0.00 C ATOM 1685 NE1 TRP A 104 -9.579 -9.937 2.717 1.00 0.00 N ATOM 1686 CE2 TRP A 104 -10.687 -10.762 2.743 1.00 0.00 C ATOM 1687 CE3 TRP A 104 -12.748 -10.917 1.486 1.00 0.00 C ATOM 1688 CZ2 TRP A 104 -11.057 -11.858 3.523 1.00 0.00 C ATOM 1689 CZ3 TRP A 104 -13.125 -12.019 2.269 1.00 0.00 C ATOM 1690 CH2 TRP A 104 -12.281 -12.489 3.286 1.00 0.00 C ATOM 0 H TRP A 104 -11.578 -6.867 2.159 1.00 0.00 H new ATOM 0 HA TRP A 104 -9.894 -6.718 -0.310 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -12.435 -8.319 -0.098 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -10.971 -8.677 -0.992 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -8.948 -8.209 1.517 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -8.781 -10.030 3.346 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.405 -10.564 0.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -10.402 -12.216 4.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -14.071 -12.508 2.087 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -12.577 -13.338 3.885 1.00 0.00 H new ATOM 1701 N MET A 105 -11.419 -4.870 -1.183 1.00 0.00 N ATOM 1702 CA MET A 105 -12.356 -3.915 -1.831 1.00 0.00 C ATOM 1703 C MET A 105 -12.460 -4.218 -3.330 1.00 0.00 C ATOM 1704 O MET A 105 -12.039 -5.257 -3.798 1.00 0.00 O ATOM 1705 CB MET A 105 -11.865 -2.472 -1.635 1.00 0.00 C ATOM 1706 CG MET A 105 -10.406 -2.437 -1.164 1.00 0.00 C ATOM 1707 SD MET A 105 -10.311 -2.956 0.569 1.00 0.00 S ATOM 1708 CE MET A 105 -10.887 -1.408 1.309 1.00 0.00 C ATOM 0 H MET A 105 -10.429 -4.657 -1.305 1.00 0.00 H new ATOM 0 HA MET A 105 -13.337 -4.025 -1.370 1.00 0.00 H new ATOM 0 HB2 MET A 105 -11.960 -1.923 -2.572 1.00 0.00 H new ATOM 0 HB3 MET A 105 -12.497 -1.967 -0.905 1.00 0.00 H new ATOM 0 HG2 MET A 105 -9.798 -3.095 -1.785 1.00 0.00 H new ATOM 0 HG3 MET A 105 -10.002 -1.431 -1.275 1.00 0.00 H new ATOM 0 HE1 MET A 105 -10.260 -1.158 2.165 1.00 0.00 H new ATOM 0 HE2 MET A 105 -10.829 -0.608 0.571 1.00 0.00 H new ATOM 0 HE3 MET A 105 -11.920 -1.524 1.638 1.00 0.00 H new ATOM 1718 N SER A 106 -13.030 -3.315 -4.083 1.00 0.00 N ATOM 1719 CA SER A 106 -13.176 -3.544 -5.550 1.00 0.00 C ATOM 1720 C SER A 106 -12.279 -2.569 -6.320 1.00 0.00 C ATOM 1721 O SER A 106 -11.984 -1.486 -5.860 1.00 0.00 O ATOM 1722 CB SER A 106 -14.633 -3.321 -5.958 1.00 0.00 C ATOM 1723 OG SER A 106 -15.113 -4.476 -6.634 1.00 0.00 O ATOM 0 H SER A 106 -13.401 -2.427 -3.745 1.00 0.00 H new ATOM 0 HA SER A 106 -12.881 -4.567 -5.784 1.00 0.00 H new ATOM 0 HB2 SER A 106 -15.243 -3.121 -5.077 1.00 0.00 H new ATOM 0 HB3 SER A 106 -14.712 -2.447 -6.605 1.00 0.00 H new ATOM 0 HG SER A 106 -16.047 -4.337 -6.896 1.00 0.00 H new ATOM 1729 N LEU A 107 -11.843 -2.954 -7.488 1.00 0.00 N ATOM 1730 CA LEU A 107 -10.960 -2.063 -8.297 1.00 0.00 C ATOM 1731 C LEU A 107 -11.696 -0.766 -8.647 1.00 0.00 C ATOM 1732 O LEU A 107 -11.088 0.266 -8.851 1.00 0.00 O ATOM 1733 CB LEU A 107 -10.576 -2.783 -9.588 1.00 0.00 C ATOM 1734 CG LEU A 107 -9.804 -1.830 -10.500 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -8.798 -2.627 -11.332 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -10.783 -1.112 -11.434 1.00 0.00 C ATOM 0 H LEU A 107 -12.061 -3.852 -7.920 1.00 0.00 H new ATOM 0 HA LEU A 107 -10.068 -1.822 -7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.966 -3.657 -9.360 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -11.471 -3.142 -10.096 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.275 -1.095 -9.894 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.246 -1.949 -11.983 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.102 -3.139 -10.668 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.328 -3.361 -11.938 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.233 -0.432 -12.085 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.312 -1.847 -12.041 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.502 -0.545 -10.842 1.00 0.00 H new ATOM 1748 N VAL A 108 -12.997 -0.811 -8.729 1.00 0.00 N ATOM 1749 CA VAL A 108 -13.762 0.421 -9.078 1.00 0.00 C ATOM 1750 C VAL A 108 -13.597 1.454 -7.965 1.00 0.00 C ATOM 1751 O VAL A 108 -14.066 1.270 -6.861 1.00 0.00 O ATOM 1752 CB VAL A 108 -15.243 0.075 -9.240 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -16.026 1.340 -9.598 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -15.405 -0.958 -10.358 1.00 0.00 C ATOM 0 H VAL A 108 -13.563 -1.645 -8.570 1.00 0.00 H new ATOM 0 HA VAL A 108 -13.383 0.832 -10.014 1.00 0.00 H new ATOM 0 HB VAL A 108 -15.625 -0.337 -8.306 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -17.082 1.094 -9.714 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -15.910 2.077 -8.803 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -15.645 1.752 -10.533 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.460 -1.206 -10.475 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -15.024 -0.546 -11.292 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -14.847 -1.859 -10.104 1.00 0.00 H new ATOM 1764 N GLY A 109 -12.931 2.542 -8.244 1.00 0.00 N ATOM 1765 CA GLY A 109 -12.739 3.580 -7.194 1.00 0.00 C ATOM 1766 C GLY A 109 -12.331 2.895 -5.891 1.00 0.00 C ATOM 1767 O GLY A 109 -12.784 3.249 -4.820 1.00 0.00 O ATOM 0 H GLY A 109 -12.514 2.755 -9.150 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -11.972 4.291 -7.502 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.659 4.146 -7.050 1.00 0.00 H new ATOM 1771 N LEU A 110 -11.483 1.908 -5.979 1.00 0.00 N ATOM 1772 CA LEU A 110 -11.040 1.184 -4.783 1.00 0.00 C ATOM 1773 C LEU A 110 -10.536 2.171 -3.726 1.00 0.00 C ATOM 1774 O LEU A 110 -10.817 2.039 -2.551 1.00 0.00 O ATOM 1775 CB LEU A 110 -9.956 0.204 -5.255 1.00 0.00 C ATOM 1776 CG LEU A 110 -8.589 0.540 -4.664 1.00 0.00 C ATOM 1777 CD1 LEU A 110 -8.526 0.081 -3.206 1.00 0.00 C ATOM 1778 CD2 LEU A 110 -7.496 -0.163 -5.472 1.00 0.00 C ATOM 0 H LEU A 110 -11.077 1.575 -6.854 1.00 0.00 H new ATOM 0 HA LEU A 110 -11.849 0.632 -4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -10.235 -0.811 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.896 0.225 -6.343 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.435 1.618 -4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.548 0.324 -2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.301 0.588 -2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.684 -0.996 -3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.520 0.077 -5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.652 -1.241 -5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.536 0.174 -6.508 1.00 0.00 H new ATOM 1790 N ASN A 111 -9.790 3.149 -4.136 1.00 0.00 N ATOM 1791 CA ASN A 111 -9.251 4.139 -3.183 1.00 0.00 C ATOM 1792 C ASN A 111 -9.531 5.556 -3.684 1.00 0.00 C ATOM 1793 O ASN A 111 -10.331 5.764 -4.575 1.00 0.00 O ATOM 1794 CB ASN A 111 -7.747 3.934 -3.080 1.00 0.00 C ATOM 1795 CG ASN A 111 -7.181 3.476 -4.425 1.00 0.00 C ATOM 1796 OD1 ASN A 111 -7.592 4.050 -5.523 1.00 0.00 O flip ATOM 1797 ND2 ASN A 111 -6.354 2.587 -4.479 1.00 0.00 N flip ATOM 0 H ASN A 111 -9.528 3.305 -5.109 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.724 4.009 -2.210 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -7.267 4.863 -2.773 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -7.526 3.192 -2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -6.032 2.137 -3.622 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.982 2.290 -5.381 1.00 0.00 H new ATOM 1804 N ALA A 112 -8.869 6.528 -3.103 1.00 0.00 N ATOM 1805 CA ALA A 112 -9.060 7.950 -3.510 1.00 0.00 C ATOM 1806 C ALA A 112 -10.222 8.547 -2.717 1.00 0.00 C ATOM 1807 O ALA A 112 -10.301 9.743 -2.513 1.00 0.00 O ATOM 1808 CB ALA A 112 -9.351 8.042 -5.010 1.00 0.00 C ATOM 0 H ALA A 112 -8.194 6.390 -2.351 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.147 8.508 -3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -9.488 9.086 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.515 7.623 -5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -10.258 7.483 -5.240 1.00 0.00 H new ATOM 1814 N ASP A 113 -11.124 7.721 -2.265 1.00 0.00 N ATOM 1815 CA ASP A 113 -12.276 8.218 -1.487 1.00 0.00 C ATOM 1816 C ASP A 113 -12.261 7.565 -0.108 1.00 0.00 C ATOM 1817 O ASP A 113 -12.571 8.186 0.890 1.00 0.00 O ATOM 1818 CB ASP A 113 -13.557 7.835 -2.214 1.00 0.00 C ATOM 1819 CG ASP A 113 -14.647 8.871 -1.930 1.00 0.00 C ATOM 1820 OD1 ASP A 113 -15.209 8.830 -0.848 1.00 0.00 O ATOM 1821 OD2 ASP A 113 -14.905 9.685 -2.801 1.00 0.00 O ATOM 0 H ASP A 113 -11.105 6.711 -2.407 1.00 0.00 H new ATOM 0 HA ASP A 113 -12.221 9.301 -1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -13.372 7.773 -3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.888 6.848 -1.890 1.00 0.00 H new ATOM 1826 N ASP A 114 -11.892 6.314 -0.044 1.00 0.00 N ATOM 1827 CA ASP A 114 -11.845 5.622 1.271 1.00 0.00 C ATOM 1828 C ASP A 114 -10.418 5.669 1.806 1.00 0.00 C ATOM 1829 O ASP A 114 -10.127 5.154 2.868 1.00 0.00 O ATOM 1830 CB ASP A 114 -12.278 4.164 1.102 1.00 0.00 C ATOM 1831 CG ASP A 114 -12.827 3.638 2.431 1.00 0.00 C ATOM 1832 OD1 ASP A 114 -12.311 4.039 3.461 1.00 0.00 O ATOM 1833 OD2 ASP A 114 -13.752 2.844 2.395 1.00 0.00 O ATOM 0 H ASP A 114 -11.622 5.744 -0.846 1.00 0.00 H new ATOM 0 HA ASP A 114 -12.519 6.117 1.970 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -13.039 4.087 0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -11.432 3.557 0.780 1.00 0.00 H new ATOM 1838 N PHE A 115 -9.521 6.285 1.083 1.00 0.00 N ATOM 1839 CA PHE A 115 -8.116 6.356 1.571 1.00 0.00 C ATOM 1840 C PHE A 115 -7.924 7.632 2.388 1.00 0.00 C ATOM 1841 O PHE A 115 -8.744 8.527 2.338 1.00 0.00 O ATOM 1842 CB PHE A 115 -7.146 6.341 0.391 1.00 0.00 C ATOM 1843 CG PHE A 115 -6.551 4.960 0.277 1.00 0.00 C ATOM 1844 CD1 PHE A 115 -7.364 3.888 -0.101 1.00 0.00 C ATOM 1845 CD2 PHE A 115 -5.197 4.744 0.563 1.00 0.00 C ATOM 1846 CE1 PHE A 115 -6.827 2.602 -0.198 1.00 0.00 C ATOM 1847 CE2 PHE A 115 -4.662 3.458 0.468 1.00 0.00 C ATOM 1848 CZ PHE A 115 -5.476 2.386 0.086 1.00 0.00 C ATOM 0 H PHE A 115 -9.698 6.737 0.186 1.00 0.00 H new ATOM 0 HA PHE A 115 -7.912 5.490 2.200 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -7.666 6.607 -0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -6.359 7.081 0.538 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.409 4.054 -0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -4.568 5.571 0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -7.456 1.775 -0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.618 3.290 0.690 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.060 1.392 0.011 1.00 0.00 H new ATOM 1858 N PRO A 116 -6.849 7.671 3.130 1.00 0.00 N ATOM 1859 CA PRO A 116 -6.535 8.825 3.984 1.00 0.00 C ATOM 1860 C PRO A 116 -6.207 10.045 3.110 1.00 0.00 C ATOM 1861 O PRO A 116 -5.585 9.911 2.075 1.00 0.00 O ATOM 1862 CB PRO A 116 -5.307 8.385 4.791 1.00 0.00 C ATOM 1863 CG PRO A 116 -4.875 6.988 4.277 1.00 0.00 C ATOM 1864 CD PRO A 116 -5.861 6.575 3.178 1.00 0.00 C ATOM 0 HA PRO A 116 -7.364 9.113 4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -4.495 9.103 4.673 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -5.544 8.344 5.854 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -3.858 7.021 3.887 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.881 6.262 5.090 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -5.357 6.454 2.219 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -6.337 5.622 3.411 1.00 0.00 H new ATOM 1872 N PRO A 117 -6.641 11.200 3.550 1.00 0.00 N ATOM 1873 CA PRO A 117 -6.411 12.458 2.817 1.00 0.00 C ATOM 1874 C PRO A 117 -4.912 12.773 2.758 1.00 0.00 C ATOM 1875 O PRO A 117 -4.353 13.332 3.679 1.00 0.00 O ATOM 1876 CB PRO A 117 -7.152 13.528 3.632 1.00 0.00 C ATOM 1877 CG PRO A 117 -7.752 12.835 4.884 1.00 0.00 C ATOM 1878 CD PRO A 117 -7.394 11.344 4.808 1.00 0.00 C ATOM 0 HA PRO A 117 -6.764 12.407 1.787 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -6.470 14.325 3.926 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.940 13.987 3.034 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -7.352 13.279 5.796 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -8.833 12.968 4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -6.794 11.037 5.665 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.289 10.722 4.806 1.00 0.00 H new ATOM 1886 N ALA A 118 -4.262 12.422 1.679 1.00 0.00 N ATOM 1887 CA ALA A 118 -2.800 12.703 1.556 1.00 0.00 C ATOM 1888 C ALA A 118 -2.192 11.816 0.465 1.00 0.00 C ATOM 1889 O ALA A 118 -1.145 12.115 -0.076 1.00 0.00 O ATOM 1890 CB ALA A 118 -2.105 12.410 2.889 1.00 0.00 C ATOM 0 H ALA A 118 -4.681 11.952 0.876 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.660 13.751 1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.039 12.616 2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.530 13.043 3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.251 11.362 3.153 1.00 0.00 H new ATOM 1896 N ASN A 119 -2.834 10.727 0.138 1.00 0.00 N ATOM 1897 CA ASN A 119 -2.290 9.825 -0.913 1.00 0.00 C ATOM 1898 C ASN A 119 -2.976 10.128 -2.249 1.00 0.00 C ATOM 1899 O ASN A 119 -3.137 9.268 -3.086 1.00 0.00 O ATOM 1900 CB ASN A 119 -2.560 8.376 -0.511 1.00 0.00 C ATOM 1901 CG ASN A 119 -1.261 7.725 -0.036 1.00 0.00 C ATOM 1902 OD1 ASN A 119 -0.654 6.958 -0.755 1.00 0.00 O ATOM 1903 ND2 ASN A 119 -0.808 8.002 1.156 1.00 0.00 N ATOM 0 H ASN A 119 -3.714 10.424 0.556 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.217 9.982 -1.019 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -3.307 8.341 0.282 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.967 7.823 -1.357 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.057 7.574 1.485 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -1.319 8.647 1.759 1.00 0.00 H new ATOM 1910 N GLU A 120 -3.381 11.352 -2.444 1.00 0.00 N ATOM 1911 CA GLU A 120 -4.067 11.741 -3.712 1.00 0.00 C ATOM 1912 C GLU A 120 -3.123 11.716 -4.940 1.00 0.00 C ATOM 1913 O GLU A 120 -3.573 11.420 -6.028 1.00 0.00 O ATOM 1914 CB GLU A 120 -4.635 13.152 -3.555 1.00 0.00 C ATOM 1915 CG GLU A 120 -5.596 13.182 -2.365 1.00 0.00 C ATOM 1916 CD GLU A 120 -6.539 14.378 -2.501 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -6.158 15.457 -2.080 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -7.625 14.194 -3.024 1.00 0.00 O ATOM 0 H GLU A 120 -3.265 12.110 -1.771 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.856 11.010 -3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.826 13.867 -3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -5.156 13.450 -4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -6.170 12.256 -2.324 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.035 13.252 -1.433 1.00 0.00 H new ATOM 1925 N PRO A 121 -1.861 12.052 -4.765 1.00 0.00 N ATOM 1926 CA PRO A 121 -0.907 12.086 -5.892 1.00 0.00 C ATOM 1927 C PRO A 121 -0.799 10.720 -6.585 1.00 0.00 C ATOM 1928 O PRO A 121 -0.682 10.649 -7.793 1.00 0.00 O ATOM 1929 CB PRO A 121 0.434 12.490 -5.265 1.00 0.00 C ATOM 1930 CG PRO A 121 0.172 12.810 -3.774 1.00 0.00 C ATOM 1931 CD PRO A 121 -1.278 12.417 -3.464 1.00 0.00 C ATOM 0 HA PRO A 121 -1.227 12.784 -6.666 1.00 0.00 H new ATOM 0 HB2 PRO A 121 1.161 11.684 -5.362 1.00 0.00 H new ATOM 0 HB3 PRO A 121 0.850 13.358 -5.776 1.00 0.00 H new ATOM 0 HG2 PRO A 121 0.863 12.258 -3.137 1.00 0.00 H new ATOM 0 HG3 PRO A 121 0.332 13.870 -3.576 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -1.320 11.582 -2.765 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -1.821 13.243 -3.006 1.00 0.00 H new ATOM 1939 N VAL A 122 -0.846 9.637 -5.856 1.00 0.00 N ATOM 1940 CA VAL A 122 -0.752 8.309 -6.521 1.00 0.00 C ATOM 1941 C VAL A 122 -2.163 7.725 -6.604 1.00 0.00 C ATOM 1942 O VAL A 122 -2.602 7.267 -7.640 1.00 0.00 O ATOM 1943 CB VAL A 122 0.203 7.404 -5.712 1.00 0.00 C ATOM 1944 CG1 VAL A 122 -0.484 6.105 -5.278 1.00 0.00 C ATOM 1945 CG2 VAL A 122 1.417 7.059 -6.577 1.00 0.00 C ATOM 0 H VAL A 122 -0.944 9.615 -4.841 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.347 8.392 -7.530 1.00 0.00 H new ATOM 0 HB VAL A 122 0.507 7.946 -4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.218 5.494 -4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.346 6.340 -4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.814 5.556 -6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.096 6.420 -6.013 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.087 6.535 -7.474 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.934 7.976 -6.861 1.00 0.00 H new ATOM 1955 N ILE A 123 -2.878 7.759 -5.520 1.00 0.00 N ATOM 1956 CA ILE A 123 -4.267 7.237 -5.522 1.00 0.00 C ATOM 1957 C ILE A 123 -5.009 7.802 -6.731 1.00 0.00 C ATOM 1958 O ILE A 123 -5.886 7.170 -7.287 1.00 0.00 O ATOM 1959 CB ILE A 123 -4.960 7.690 -4.246 1.00 0.00 C ATOM 1960 CG1 ILE A 123 -4.304 6.997 -3.052 1.00 0.00 C ATOM 1961 CG2 ILE A 123 -6.437 7.326 -4.312 1.00 0.00 C ATOM 1962 CD1 ILE A 123 -4.786 5.546 -2.963 1.00 0.00 C ATOM 0 H ILE A 123 -2.557 8.129 -4.625 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.261 6.148 -5.574 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.867 8.770 -4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -3.219 7.023 -3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.549 7.528 -2.132 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -6.933 7.651 -3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -6.896 7.820 -5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -6.541 6.246 -4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -4.315 5.058 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.869 5.529 -2.838 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -4.518 5.017 -3.878 1.00 0.00 H new ATOM 1974 N ALA A 124 -4.659 8.989 -7.146 1.00 0.00 N ATOM 1975 CA ALA A 124 -5.344 9.590 -8.324 1.00 0.00 C ATOM 1976 C ALA A 124 -5.284 8.602 -9.487 1.00 0.00 C ATOM 1977 O ALA A 124 -6.278 8.299 -10.115 1.00 0.00 O ATOM 1978 CB ALA A 124 -4.642 10.891 -8.720 1.00 0.00 C ATOM 0 H ALA A 124 -3.932 9.566 -6.722 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.383 9.807 -8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.146 11.328 -9.582 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.677 11.592 -7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.603 10.681 -8.975 1.00 0.00 H new ATOM 1984 N LYS A 125 -4.118 8.092 -9.771 1.00 0.00 N ATOM 1985 CA LYS A 125 -3.981 7.115 -10.886 1.00 0.00 C ATOM 1986 C LYS A 125 -4.745 5.837 -10.534 1.00 0.00 C ATOM 1987 O LYS A 125 -5.419 5.258 -11.364 1.00 0.00 O ATOM 1988 CB LYS A 125 -2.500 6.790 -11.098 1.00 0.00 C ATOM 1989 CG LYS A 125 -2.330 6.004 -12.400 1.00 0.00 C ATOM 1990 CD LYS A 125 -1.386 4.824 -12.163 1.00 0.00 C ATOM 1991 CE LYS A 125 -1.768 3.670 -13.091 1.00 0.00 C ATOM 1992 NZ LYS A 125 -1.950 2.426 -12.290 1.00 0.00 N ATOM 0 H LYS A 125 -3.252 8.310 -9.278 1.00 0.00 H new ATOM 0 HA LYS A 125 -4.391 7.541 -11.802 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.917 7.710 -11.138 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -2.121 6.208 -10.258 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -3.298 5.645 -12.750 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.930 6.653 -13.179 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.355 5.127 -12.347 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.443 4.502 -11.123 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.687 3.909 -13.626 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -0.992 3.521 -13.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -1.611 1.609 -12.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.408 2.500 -11.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -2.958 2.300 -12.069 1.00 0.00 H new ATOM 2006 N LEU A 126 -4.655 5.396 -9.306 1.00 0.00 N ATOM 2007 CA LEU A 126 -5.377 4.172 -8.893 1.00 0.00 C ATOM 2008 C LEU A 126 -6.874 4.339 -9.161 1.00 0.00 C ATOM 2009 O LEU A 126 -7.629 3.390 -9.134 1.00 0.00 O ATOM 2010 CB LEU A 126 -5.148 3.956 -7.403 1.00 0.00 C ATOM 2011 CG LEU A 126 -3.664 4.110 -7.071 1.00 0.00 C ATOM 2012 CD1 LEU A 126 -3.402 3.551 -5.673 1.00 0.00 C ATOM 2013 CD2 LEU A 126 -2.827 3.336 -8.091 1.00 0.00 C ATOM 0 H LEU A 126 -4.106 5.841 -8.571 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.010 3.315 -9.458 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.733 4.675 -6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -5.492 2.963 -7.115 1.00 0.00 H new ATOM 0 HG LEU A 126 -3.390 5.165 -7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.345 3.658 -5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.999 4.099 -4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.675 2.496 -5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.769 3.447 -7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -3.098 2.281 -8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.017 3.728 -9.090 1.00 0.00 H new ATOM 2025 N LYS A 127 -7.318 5.533 -9.418 1.00 0.00 N ATOM 2026 CA LYS A 127 -8.752 5.741 -9.691 1.00 0.00 C ATOM 2027 C LYS A 127 -9.136 4.949 -10.942 1.00 0.00 C ATOM 2028 O LYS A 127 -10.137 4.260 -10.974 1.00 0.00 O ATOM 2029 CB LYS A 127 -8.975 7.229 -9.920 1.00 0.00 C ATOM 2030 CG LYS A 127 -8.925 7.953 -8.575 1.00 0.00 C ATOM 2031 CD LYS A 127 -9.751 9.236 -8.649 1.00 0.00 C ATOM 2032 CE LYS A 127 -9.350 10.160 -7.498 1.00 0.00 C ATOM 2033 NZ LYS A 127 -9.415 11.577 -7.955 1.00 0.00 N ATOM 0 H LYS A 127 -6.743 6.375 -9.450 1.00 0.00 H new ATOM 0 HA LYS A 127 -9.365 5.401 -8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -8.212 7.625 -10.589 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -9.939 7.395 -10.401 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -9.311 7.305 -7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -7.893 8.188 -8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -9.587 9.734 -9.605 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -10.814 9.002 -8.590 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -10.015 10.010 -6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -8.342 9.921 -7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -9.143 12.207 -7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -8.763 11.714 -8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -10.385 11.800 -8.257 1.00 0.00 H new ATOM 2047 N ARG A 128 -8.340 5.040 -11.971 1.00 0.00 N ATOM 2048 CA ARG A 128 -8.634 4.302 -13.216 1.00 0.00 C ATOM 2049 C ARG A 128 -8.008 2.903 -13.144 1.00 0.00 C ATOM 2050 O ARG A 128 -7.932 2.197 -14.130 1.00 0.00 O ATOM 2051 CB ARG A 128 -8.039 5.072 -14.395 1.00 0.00 C ATOM 2052 CG ARG A 128 -9.102 5.999 -14.992 1.00 0.00 C ATOM 2053 CD ARG A 128 -8.819 6.223 -16.479 1.00 0.00 C ATOM 2054 NE ARG A 128 -7.604 7.074 -16.634 1.00 0.00 N ATOM 2055 CZ ARG A 128 -7.020 7.174 -17.798 1.00 0.00 C ATOM 2056 NH1 ARG A 128 -7.631 7.770 -18.785 1.00 0.00 N ATOM 2057 NH2 ARG A 128 -5.826 6.677 -17.975 1.00 0.00 N ATOM 0 H ARG A 128 -7.490 5.603 -11.996 1.00 0.00 H new ATOM 0 HA ARG A 128 -9.712 4.203 -13.344 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -7.178 5.654 -14.065 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -7.681 4.376 -15.154 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -10.092 5.562 -14.863 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -9.103 6.953 -14.465 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -8.671 5.266 -16.980 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -9.675 6.703 -16.954 1.00 0.00 H new ATOM 0 HE ARG A 128 -7.229 7.578 -15.831 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -8.564 8.158 -18.647 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -7.175 7.848 -19.694 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -5.348 6.210 -17.204 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -5.371 6.755 -18.884 1.00 0.00 H new ATOM 2071 N LEU A 129 -7.557 2.500 -11.984 1.00 0.00 N ATOM 2072 CA LEU A 129 -6.936 1.147 -11.849 1.00 0.00 C ATOM 2073 C LEU A 129 -7.773 0.124 -12.621 1.00 0.00 C ATOM 2074 O LEU A 129 -8.956 0.365 -12.793 1.00 0.00 O ATOM 2075 CB LEU A 129 -6.887 0.750 -10.370 1.00 0.00 C ATOM 2076 CG LEU A 129 -5.631 -0.076 -10.091 1.00 0.00 C ATOM 2077 CD1 LEU A 129 -4.484 0.856 -9.698 1.00 0.00 C ATOM 2078 CD2 LEU A 129 -5.910 -1.039 -8.937 1.00 0.00 C ATOM 2079 OXT LEU A 129 -7.215 -0.883 -13.026 1.00 0.00 O ATOM 0 H LEU A 129 -7.592 3.048 -11.125 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.924 1.171 -12.252 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -6.891 1.643 -9.745 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -7.776 0.175 -10.110 1.00 0.00 H new ATOM 0 HG LEU A 129 -5.357 -0.636 -10.985 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.589 0.267 -9.499 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -4.286 1.553 -10.512 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -4.758 1.413 -8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -5.018 -1.631 -8.733 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -6.180 -0.471 -8.047 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -6.732 -1.702 -9.207 1.00 0.00 H new