USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=10 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 Set 1.1: A 16 ASN : amide:sc= -3.22! C(o=-3.2!,f=-6.3!) USER MOD Set 1.2: A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.357 K(o=-0.36,f=-2.2!) USER MOD Single : A 13 ASN : amide:sc= -3.84! C(o=-3.8!,f=-9.1!) USER MOD Single : A 15 ASN : amide:sc= -2.69 K(o=-2.7,f=0) USER MOD Single : A 21 THR OG1 : rot 67:sc= -3.99! USER MOD Single : A 31 ASN : amide:sc= -8.87! C(o=-8.9!,f=-18!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -150:sc= -0.0534 (180deg=-0.491) USER MOD Single : A 45 THR OG1 : rot 180:sc= -2.33! USER MOD Single : A 48 GLN : amide:sc= -0.492 X(o=-0.49,f=-0.18) USER MOD Single : A 55 GLN : amide:sc= -0.319 K(o=-0.32,f=-3.2!) USER MOD Single : A 61 THR OG1 : rot -48:sc= 0.781 USER MOD Single : A 63 GLN : amide:sc= -0.718 K(o=-0.72,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -8.56! C(o=-8.6!,f=-18!) USER MOD Single : A 66 SER OG : rot 48:sc= 0.156 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-0.16) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 97 LYS NZ :NH3+ -134:sc= 2.58 (180deg=-1.58) USER MOD Single : A 100 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.1!) USER MOD Single : A 105 MET CE :methyl 131:sc= -0.19 (180deg=-3.31!) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 ASN : amide:sc= -0.419 K(o=-0.42,f=-2.8!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LEU A 4 12.040 9.091 5.729 1.00 0.00 N ATOM 65 CA LEU A 4 11.212 7.947 6.211 1.00 0.00 C ATOM 66 C LEU A 4 10.653 7.186 5.009 1.00 0.00 C ATOM 67 O LEU A 4 9.630 7.542 4.459 1.00 0.00 O ATOM 68 CB LEU A 4 10.045 8.462 7.065 1.00 0.00 C ATOM 69 CG LEU A 4 10.381 9.840 7.638 1.00 0.00 C ATOM 70 CD1 LEU A 4 9.310 10.248 8.652 1.00 0.00 C ATOM 71 CD2 LEU A 4 11.744 9.781 8.333 1.00 0.00 C ATOM 0 HA LEU A 4 11.835 7.287 6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.140 8.522 6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.841 7.762 7.876 1.00 0.00 H new ATOM 0 HG LEU A 4 10.413 10.572 6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.550 11.230 9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.339 10.287 8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.277 9.518 9.460 1.00 0.00 H new ATOM 0 HD21 LEU A 4 11.986 10.762 8.742 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.710 9.049 9.140 1.00 0.00 H new ATOM 0 HD23 LEU A 4 12.508 9.490 7.612 1.00 0.00 H new ATOM 83 N GLN A 5 11.314 6.141 4.596 1.00 0.00 N ATOM 84 CA GLN A 5 10.816 5.362 3.430 1.00 0.00 C ATOM 85 C GLN A 5 10.007 4.163 3.925 1.00 0.00 C ATOM 86 O GLN A 5 10.534 3.264 4.547 1.00 0.00 O ATOM 87 CB GLN A 5 12.005 4.870 2.602 1.00 0.00 C ATOM 88 CG GLN A 5 12.630 6.051 1.854 1.00 0.00 C ATOM 89 CD GLN A 5 12.949 5.634 0.417 1.00 0.00 C ATOM 90 OE1 GLN A 5 12.287 4.783 -0.142 1.00 0.00 O ATOM 91 NE2 GLN A 5 13.941 6.206 -0.212 1.00 0.00 N ATOM 0 H GLN A 5 12.176 5.793 5.015 1.00 0.00 H new ATOM 0 HA GLN A 5 10.181 5.997 2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 5 12.746 4.404 3.251 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.678 4.109 1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.945 6.899 1.854 1.00 0.00 H new ATOM 0 HG3 GLN A 5 13.539 6.376 2.360 1.00 0.00 H new ATOM 0 HE21 GLN A 5 14.498 6.921 0.257 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.159 5.938 -1.172 1.00 0.00 H new ATOM 100 N ILE A 6 8.729 4.144 3.659 1.00 0.00 N ATOM 101 CA ILE A 6 7.887 3.008 4.112 1.00 0.00 C ATOM 102 C ILE A 6 7.676 2.040 2.945 1.00 0.00 C ATOM 103 O ILE A 6 8.221 2.218 1.874 1.00 0.00 O ATOM 104 CB ILE A 6 6.537 3.541 4.584 1.00 0.00 C ATOM 105 CG1 ILE A 6 6.715 4.933 5.195 1.00 0.00 C ATOM 106 CG2 ILE A 6 5.968 2.599 5.638 1.00 0.00 C ATOM 107 CD1 ILE A 6 7.702 4.856 6.361 1.00 0.00 C ATOM 0 H ILE A 6 8.233 4.872 3.145 1.00 0.00 H new ATOM 0 HA ILE A 6 8.380 2.486 4.933 1.00 0.00 H new ATOM 0 HB ILE A 6 5.856 3.604 3.735 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.081 5.629 4.440 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.755 5.315 5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.003 2.975 5.979 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.839 1.606 5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.654 2.541 6.483 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.829 5.847 6.796 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.317 4.173 7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.664 4.492 6.000 1.00 0.00 H new ATOM 119 N ALA A 7 6.890 1.018 3.139 1.00 0.00 N ATOM 120 CA ALA A 7 6.653 0.044 2.037 1.00 0.00 C ATOM 121 C ALA A 7 5.250 -0.551 2.167 1.00 0.00 C ATOM 122 O ALA A 7 5.015 -1.434 2.966 1.00 0.00 O ATOM 123 CB ALA A 7 7.686 -1.082 2.124 1.00 0.00 C ATOM 0 H ALA A 7 6.402 0.815 4.011 1.00 0.00 H new ATOM 0 HA ALA A 7 6.744 0.556 1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.515 -1.796 1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.688 -0.664 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.592 -1.589 3.084 1.00 0.00 H new ATOM 129 N VAL A 8 4.319 -0.088 1.380 1.00 0.00 N ATOM 130 CA VAL A 8 2.940 -0.648 1.464 1.00 0.00 C ATOM 131 C VAL A 8 2.681 -1.489 0.217 1.00 0.00 C ATOM 132 O VAL A 8 3.005 -1.102 -0.887 1.00 0.00 O ATOM 133 CB VAL A 8 1.918 0.492 1.564 1.00 0.00 C ATOM 134 CG1 VAL A 8 1.995 1.377 0.325 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.509 -0.090 1.671 1.00 0.00 C ATOM 0 H VAL A 8 4.451 0.649 0.687 1.00 0.00 H new ATOM 0 HA VAL A 8 2.842 -1.272 2.352 1.00 0.00 H new ATOM 0 HB VAL A 8 2.143 1.087 2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.265 2.182 0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.996 1.801 0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.779 0.781 -0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.215 0.721 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.295 -0.691 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.441 -0.716 2.561 1.00 0.00 H new ATOM 145 N GLY A 9 2.120 -2.649 0.381 1.00 0.00 N ATOM 146 CA GLY A 9 1.865 -3.508 -0.802 1.00 0.00 C ATOM 147 C GLY A 9 0.369 -3.729 -0.962 1.00 0.00 C ATOM 148 O GLY A 9 -0.242 -4.482 -0.230 1.00 0.00 O ATOM 0 H GLY A 9 1.828 -3.038 1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.271 -3.039 -1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.373 -4.465 -0.685 1.00 0.00 H new ATOM 152 N ILE A 10 -0.224 -3.099 -1.932 1.00 0.00 N ATOM 153 CA ILE A 10 -1.670 -3.294 -2.156 1.00 0.00 C ATOM 154 C ILE A 10 -1.819 -4.571 -2.976 1.00 0.00 C ATOM 155 O ILE A 10 -0.984 -4.874 -3.804 1.00 0.00 O ATOM 156 CB ILE A 10 -2.247 -2.103 -2.920 1.00 0.00 C ATOM 157 CG1 ILE A 10 -1.566 -0.795 -2.480 1.00 0.00 C ATOM 158 CG2 ILE A 10 -3.739 -2.007 -2.627 1.00 0.00 C ATOM 159 CD1 ILE A 10 -1.578 0.193 -3.647 1.00 0.00 C ATOM 0 H ILE A 10 0.235 -2.457 -2.578 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.208 -3.373 -1.211 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.073 -2.249 -3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.087 -0.370 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.541 -0.992 -2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.162 -1.160 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.232 -2.925 -2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.891 -1.867 -1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.097 1.122 -3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.038 -0.235 -4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.608 0.397 -3.940 1.00 0.00 H new ATOM 171 N ILE A 11 -2.835 -5.347 -2.744 1.00 0.00 N ATOM 172 CA ILE A 11 -2.948 -6.614 -3.517 1.00 0.00 C ATOM 173 C ILE A 11 -4.347 -6.773 -4.093 1.00 0.00 C ATOM 174 O ILE A 11 -5.337 -6.668 -3.408 1.00 0.00 O ATOM 175 CB ILE A 11 -2.618 -7.788 -2.603 1.00 0.00 C ATOM 176 CG1 ILE A 11 -1.587 -7.334 -1.582 1.00 0.00 C ATOM 177 CG2 ILE A 11 -2.030 -8.936 -3.422 1.00 0.00 C ATOM 178 CD1 ILE A 11 -1.194 -8.513 -0.702 1.00 0.00 C ATOM 0 H ILE A 11 -3.578 -5.168 -2.069 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.244 -6.587 -4.348 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.526 -8.129 -2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.708 -6.935 -2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.995 -6.529 -0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.797 -9.772 -2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.754 -9.257 -4.171 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.119 -8.600 -3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.455 -8.190 0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.076 -8.891 -0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.770 -9.303 -1.321 1.00 0.00 H new ATOM 190 N ARG A 12 -4.416 -7.035 -5.357 1.00 0.00 N ATOM 191 CA ARG A 12 -5.739 -7.210 -6.028 1.00 0.00 C ATOM 192 C ARG A 12 -5.651 -8.364 -7.025 1.00 0.00 C ATOM 193 O ARG A 12 -4.793 -8.384 -7.879 1.00 0.00 O ATOM 194 CB ARG A 12 -6.104 -5.923 -6.773 1.00 0.00 C ATOM 195 CG ARG A 12 -7.582 -5.599 -6.545 1.00 0.00 C ATOM 196 CD ARG A 12 -7.867 -4.171 -7.015 1.00 0.00 C ATOM 197 NE ARG A 12 -7.329 -3.986 -8.393 1.00 0.00 N ATOM 198 CZ ARG A 12 -7.687 -2.951 -9.103 1.00 0.00 C ATOM 199 NH1 ARG A 12 -8.420 -2.011 -8.567 1.00 0.00 N ATOM 200 NH2 ARG A 12 -7.310 -2.851 -10.347 1.00 0.00 N ATOM 0 H ARG A 12 -3.607 -7.138 -5.970 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.502 -7.429 -5.281 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.482 -5.099 -6.422 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.907 -6.040 -7.839 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.209 -6.305 -7.090 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.830 -5.702 -5.489 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.940 -3.980 -7.003 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.408 -3.454 -6.334 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.680 -4.670 -8.782 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.713 -2.086 -7.593 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.699 -1.203 -9.123 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.735 -3.582 -10.766 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.590 -2.042 -10.901 1.00 0.00 H new ATOM 214 N ASN A 13 -6.525 -9.328 -6.924 1.00 0.00 N ATOM 215 CA ASN A 13 -6.473 -10.480 -7.871 1.00 0.00 C ATOM 216 C ASN A 13 -7.771 -10.552 -8.679 1.00 0.00 C ATOM 217 O ASN A 13 -8.561 -9.628 -8.689 1.00 0.00 O ATOM 218 CB ASN A 13 -6.288 -11.780 -7.083 1.00 0.00 C ATOM 219 CG ASN A 13 -7.163 -11.754 -5.828 1.00 0.00 C ATOM 220 OD1 ASN A 13 -8.239 -11.190 -5.834 1.00 0.00 O ATOM 221 ND2 ASN A 13 -6.742 -12.347 -4.743 1.00 0.00 N ATOM 0 H ASN A 13 -7.271 -9.369 -6.229 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.635 -10.344 -8.554 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.554 -12.634 -7.705 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.241 -11.902 -6.805 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.317 -12.337 -3.900 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.839 -12.820 -4.738 1.00 0.00 H new ATOM 228 N GLU A 14 -7.992 -11.643 -9.362 1.00 0.00 N ATOM 229 CA GLU A 14 -9.233 -11.782 -10.177 1.00 0.00 C ATOM 230 C GLU A 14 -10.444 -11.959 -9.258 1.00 0.00 C ATOM 231 O GLU A 14 -11.569 -12.040 -9.710 1.00 0.00 O ATOM 232 CB GLU A 14 -9.110 -13.002 -11.093 1.00 0.00 C ATOM 233 CG GLU A 14 -7.819 -12.902 -11.909 1.00 0.00 C ATOM 234 CD GLU A 14 -7.850 -13.932 -13.040 1.00 0.00 C ATOM 235 OE1 GLU A 14 -8.759 -13.866 -13.851 1.00 0.00 O ATOM 236 OE2 GLU A 14 -6.965 -14.772 -13.075 1.00 0.00 O ATOM 0 H GLU A 14 -7.364 -12.446 -9.391 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.366 -10.883 -10.779 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.107 -13.916 -10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.970 -13.057 -11.760 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.713 -11.898 -12.320 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.956 -13.077 -11.267 1.00 0.00 H new ATOM 243 N ASN A 15 -10.227 -12.011 -7.971 1.00 0.00 N ATOM 244 CA ASN A 15 -11.366 -12.172 -7.028 1.00 0.00 C ATOM 245 C ASN A 15 -12.048 -10.815 -6.828 1.00 0.00 C ATOM 246 O ASN A 15 -12.949 -10.672 -6.026 1.00 0.00 O ATOM 247 CB ASN A 15 -10.833 -12.683 -5.689 1.00 0.00 C ATOM 248 CG ASN A 15 -11.880 -13.575 -5.016 1.00 0.00 C ATOM 249 OD1 ASN A 15 -11.834 -14.783 -5.139 1.00 0.00 O ATOM 250 ND2 ASN A 15 -12.828 -13.030 -4.305 1.00 0.00 N ATOM 0 H ASN A 15 -9.308 -11.949 -7.534 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.088 -12.884 -7.429 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -9.911 -13.244 -5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.589 -11.842 -5.040 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.529 -13.618 -3.854 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.868 -12.016 -4.200 1.00 0.00 H new ATOM 257 N ASN A 16 -11.627 -9.817 -7.561 1.00 0.00 N ATOM 258 CA ASN A 16 -12.246 -8.473 -7.429 1.00 0.00 C ATOM 259 C ASN A 16 -12.185 -8.020 -5.967 1.00 0.00 C ATOM 260 O ASN A 16 -13.149 -7.537 -5.408 1.00 0.00 O ATOM 261 CB ASN A 16 -13.695 -8.554 -7.909 1.00 0.00 C ATOM 262 CG ASN A 16 -14.436 -7.256 -7.579 1.00 0.00 C ATOM 263 OD1 ASN A 16 -14.064 -6.196 -8.038 1.00 0.00 O ATOM 264 ND2 ASN A 16 -15.481 -7.297 -6.798 1.00 0.00 N ATOM 0 H ASN A 16 -10.876 -9.880 -8.248 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.706 -7.746 -8.035 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -13.720 -8.732 -8.984 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -14.196 -9.398 -7.435 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -15.984 -6.439 -6.574 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -15.794 -8.188 -6.412 1.00 0.00 H new ATOM 271 N GLU A 17 -11.048 -8.167 -5.345 1.00 0.00 N ATOM 272 CA GLU A 17 -10.911 -7.740 -3.925 1.00 0.00 C ATOM 273 C GLU A 17 -9.490 -7.230 -3.697 1.00 0.00 C ATOM 274 O GLU A 17 -8.526 -7.851 -4.096 1.00 0.00 O ATOM 275 CB GLU A 17 -11.176 -8.925 -2.995 1.00 0.00 C ATOM 276 CG GLU A 17 -12.280 -9.807 -3.580 1.00 0.00 C ATOM 277 CD GLU A 17 -13.005 -10.536 -2.447 1.00 0.00 C ATOM 278 OE1 GLU A 17 -12.333 -11.173 -1.653 1.00 0.00 O ATOM 279 OE2 GLU A 17 -14.221 -10.445 -2.392 1.00 0.00 O ATOM 0 H GLU A 17 -10.206 -8.566 -5.760 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.633 -6.951 -3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.264 -9.507 -2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.469 -8.566 -2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.986 -9.198 -4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.853 -10.529 -4.276 1.00 0.00 H new ATOM 286 N ILE A 18 -9.350 -6.106 -3.053 1.00 0.00 N ATOM 287 CA ILE A 18 -7.987 -5.567 -2.801 1.00 0.00 C ATOM 288 C ILE A 18 -7.604 -5.856 -1.353 1.00 0.00 C ATOM 289 O ILE A 18 -8.452 -6.086 -0.519 1.00 0.00 O ATOM 290 CB ILE A 18 -7.965 -4.051 -3.028 1.00 0.00 C ATOM 291 CG1 ILE A 18 -9.070 -3.651 -4.011 1.00 0.00 C ATOM 292 CG2 ILE A 18 -6.608 -3.640 -3.599 1.00 0.00 C ATOM 293 CD1 ILE A 18 -10.231 -3.019 -3.243 1.00 0.00 C ATOM 0 H ILE A 18 -10.117 -5.540 -2.692 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.282 -6.040 -3.485 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.132 -3.547 -2.076 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.680 -2.947 -4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.417 -4.526 -4.560 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.593 -2.562 -3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.820 -3.913 -2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.442 -4.151 -4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.017 -2.734 -3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.626 -3.738 -2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.878 -2.134 -2.714 1.00 0.00 H new ATOM 305 N PHE A 19 -6.344 -5.826 -1.034 1.00 0.00 N ATOM 306 CA PHE A 19 -5.945 -6.076 0.374 1.00 0.00 C ATOM 307 C PHE A 19 -5.244 -4.834 0.907 1.00 0.00 C ATOM 308 O PHE A 19 -4.032 -4.754 0.933 1.00 0.00 O ATOM 309 CB PHE A 19 -4.998 -7.272 0.477 1.00 0.00 C ATOM 310 CG PHE A 19 -4.615 -7.438 1.927 1.00 0.00 C ATOM 311 CD1 PHE A 19 -5.614 -7.470 2.906 1.00 0.00 C ATOM 312 CD2 PHE A 19 -3.269 -7.530 2.298 1.00 0.00 C ATOM 313 CE1 PHE A 19 -5.273 -7.593 4.255 1.00 0.00 C ATOM 314 CE2 PHE A 19 -2.926 -7.659 3.651 1.00 0.00 C ATOM 315 CZ PHE A 19 -3.929 -7.688 4.629 1.00 0.00 C ATOM 0 H PHE A 19 -5.578 -5.641 -1.682 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.838 -6.298 0.958 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.482 -8.175 0.105 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.111 -7.110 -0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.652 -7.399 2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.496 -7.502 1.544 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.047 -7.615 5.008 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.888 -7.736 3.940 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.664 -7.784 5.672 1.00 0.00 H new ATOM 325 N ILE A 20 -5.998 -3.863 1.332 1.00 0.00 N ATOM 326 CA ILE A 20 -5.391 -2.625 1.864 1.00 0.00 C ATOM 327 C ILE A 20 -5.866 -2.438 3.294 1.00 0.00 C ATOM 328 O ILE A 20 -6.313 -3.368 3.936 1.00 0.00 O ATOM 329 CB ILE A 20 -5.822 -1.415 1.029 1.00 0.00 C ATOM 330 CG1 ILE A 20 -6.519 -1.871 -0.255 1.00 0.00 C ATOM 331 CG2 ILE A 20 -4.590 -0.603 0.662 1.00 0.00 C ATOM 332 CD1 ILE A 20 -8.004 -2.089 0.027 1.00 0.00 C ATOM 0 H ILE A 20 -7.018 -3.878 1.332 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.305 -2.706 1.824 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.516 -0.811 1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.392 -1.123 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.067 -2.793 -0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.887 0.261 0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.094 -0.264 1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.905 -1.223 0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.504 -2.414 -0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.120 -2.853 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.450 -1.156 0.372 1.00 0.00 H new ATOM 344 N THR A 21 -5.779 -1.250 3.803 1.00 0.00 N ATOM 345 CA THR A 21 -6.234 -1.024 5.194 1.00 0.00 C ATOM 346 C THR A 21 -7.402 -0.038 5.192 1.00 0.00 C ATOM 347 O THR A 21 -7.405 0.939 4.469 1.00 0.00 O ATOM 348 CB THR A 21 -5.076 -0.471 6.017 1.00 0.00 C ATOM 349 OG1 THR A 21 -4.023 -0.081 5.148 1.00 0.00 O ATOM 350 CG2 THR A 21 -4.572 -1.541 6.987 1.00 0.00 C ATOM 0 H THR A 21 -5.415 -0.429 3.320 1.00 0.00 H new ATOM 0 HA THR A 21 -6.567 -1.964 5.634 1.00 0.00 H new ATOM 0 HB THR A 21 -5.418 0.394 6.586 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.311 0.684 4.608 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.744 -1.140 7.573 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.381 -1.836 7.656 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.231 -2.410 6.425 1.00 0.00 H new ATOM 358 N ARG A 22 -8.403 -0.294 5.990 1.00 0.00 N ATOM 359 CA ARG A 22 -9.576 0.615 6.028 1.00 0.00 C ATOM 360 C ARG A 22 -9.952 0.901 7.482 1.00 0.00 C ATOM 361 O ARG A 22 -10.243 0.002 8.245 1.00 0.00 O ATOM 362 CB ARG A 22 -10.752 -0.061 5.323 1.00 0.00 C ATOM 363 CG ARG A 22 -12.029 0.727 5.604 1.00 0.00 C ATOM 364 CD ARG A 22 -12.831 0.886 4.310 1.00 0.00 C ATOM 365 NE ARG A 22 -13.176 -0.458 3.771 1.00 0.00 N ATOM 366 CZ ARG A 22 -14.097 -0.575 2.855 1.00 0.00 C ATOM 367 NH1 ARG A 22 -13.931 -0.017 1.688 1.00 0.00 N ATOM 368 NH2 ARG A 22 -15.188 -1.246 3.107 1.00 0.00 N ATOM 0 H ARG A 22 -8.456 -1.096 6.618 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.333 1.552 5.527 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.569 -0.108 4.250 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.860 -1.087 5.674 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.629 0.211 6.354 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.781 1.707 6.013 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.740 1.457 4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.251 1.446 3.576 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.693 -1.287 4.118 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.081 0.511 1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.651 -0.109 0.972 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.321 -1.679 4.021 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.908 -1.337 2.390 1.00 0.00 H new ATOM 492 N ASN A 31 -15.379 5.150 2.366 1.00 0.00 N ATOM 493 CA ASN A 31 -14.675 5.135 3.679 1.00 0.00 C ATOM 494 C ASN A 31 -13.251 5.662 3.503 1.00 0.00 C ATOM 495 O ASN A 31 -12.811 5.938 2.405 1.00 0.00 O ATOM 496 CB ASN A 31 -14.622 3.698 4.203 1.00 0.00 C ATOM 497 CG ASN A 31 -14.221 3.680 5.684 1.00 0.00 C ATOM 498 OD1 ASN A 31 -13.550 2.772 6.126 1.00 0.00 O ATOM 499 ND2 ASN A 31 -14.610 4.642 6.479 1.00 0.00 N ATOM 0 HA ASN A 31 -15.210 5.768 4.387 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.595 3.223 4.078 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -13.907 3.118 3.620 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.349 4.626 7.465 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.175 5.409 6.113 1.00 0.00 H new ATOM 506 N LYS A 32 -12.527 5.803 4.578 1.00 0.00 N ATOM 507 CA LYS A 32 -11.130 6.311 4.470 1.00 0.00 C ATOM 508 C LYS A 32 -10.155 5.130 4.419 1.00 0.00 C ATOM 509 O LYS A 32 -10.154 4.273 5.280 1.00 0.00 O ATOM 510 CB LYS A 32 -10.812 7.192 5.680 1.00 0.00 C ATOM 511 CG LYS A 32 -11.783 8.376 5.716 1.00 0.00 C ATOM 512 CD LYS A 32 -11.639 9.195 4.432 1.00 0.00 C ATOM 513 CE LYS A 32 -11.217 10.624 4.778 1.00 0.00 C ATOM 514 NZ LYS A 32 -11.634 11.547 3.683 1.00 0.00 N ATOM 0 H LYS A 32 -12.841 5.589 5.525 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.028 6.900 3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.895 6.611 6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.785 7.552 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.807 8.017 5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.577 9.002 6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.899 8.735 3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.583 9.206 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.673 10.931 5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.137 10.672 4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.347 12.518 3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.179 11.258 2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.667 11.509 3.572 1.00 0.00 H new ATOM 528 N LEU A 33 -9.331 5.081 3.406 1.00 0.00 N ATOM 529 CA LEU A 33 -8.360 3.974 3.269 1.00 0.00 C ATOM 530 C LEU A 33 -6.960 4.505 3.566 1.00 0.00 C ATOM 531 O LEU A 33 -6.794 5.646 3.950 1.00 0.00 O ATOM 532 CB LEU A 33 -8.417 3.478 1.834 1.00 0.00 C ATOM 533 CG LEU A 33 -9.740 2.748 1.603 1.00 0.00 C ATOM 534 CD1 LEU A 33 -9.789 2.222 0.169 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.854 1.578 2.581 1.00 0.00 C ATOM 0 H LEU A 33 -9.295 5.776 2.660 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.595 3.164 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.326 4.317 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.580 2.809 1.635 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.569 3.438 1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.732 1.701 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.709 3.057 -0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.961 1.532 0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.797 1.057 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.026 0.888 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.820 1.954 3.604 1.00 0.00 H new ATOM 547 N GLU A 34 -5.948 3.700 3.392 1.00 0.00 N ATOM 548 CA GLU A 34 -4.579 4.192 3.669 1.00 0.00 C ATOM 549 C GLU A 34 -3.537 3.318 2.978 1.00 0.00 C ATOM 550 O GLU A 34 -3.823 2.567 2.069 1.00 0.00 O ATOM 551 CB GLU A 34 -4.319 4.162 5.171 1.00 0.00 C ATOM 552 CG GLU A 34 -3.612 5.448 5.599 1.00 0.00 C ATOM 553 CD GLU A 34 -3.890 5.715 7.080 1.00 0.00 C ATOM 554 OE1 GLU A 34 -3.336 5.004 7.902 1.00 0.00 O ATOM 555 OE2 GLU A 34 -4.653 6.622 7.365 1.00 0.00 O ATOM 0 H GLU A 34 -6.013 2.733 3.073 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.501 5.211 3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.260 4.057 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.707 3.297 5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.539 5.359 5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.962 6.286 4.996 1.00 0.00 H new ATOM 562 N PHE A 35 -2.327 3.423 3.427 1.00 0.00 N ATOM 563 CA PHE A 35 -1.219 2.620 2.836 1.00 0.00 C ATOM 564 C PHE A 35 -0.108 2.452 3.879 1.00 0.00 C ATOM 565 O PHE A 35 0.959 3.016 3.737 1.00 0.00 O ATOM 566 CB PHE A 35 -0.658 3.348 1.613 1.00 0.00 C ATOM 567 CG PHE A 35 -1.681 3.352 0.503 1.00 0.00 C ATOM 568 CD1 PHE A 35 -2.038 2.154 -0.126 1.00 0.00 C ATOM 569 CD2 PHE A 35 -2.267 4.557 0.096 1.00 0.00 C ATOM 570 CE1 PHE A 35 -2.980 2.160 -1.161 1.00 0.00 C ATOM 571 CE2 PHE A 35 -3.211 4.563 -0.938 1.00 0.00 C ATOM 572 CZ PHE A 35 -3.567 3.363 -1.567 1.00 0.00 C ATOM 0 H PHE A 35 -2.048 4.039 4.190 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.595 1.642 2.536 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.393 4.371 1.878 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.256 2.859 1.275 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.586 1.224 0.187 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.991 5.482 0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.254 1.235 -1.647 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.664 5.492 -1.250 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.294 3.367 -2.365 1.00 0.00 H new ATOM 582 N PRO A 36 -0.396 1.687 4.900 1.00 0.00 N ATOM 583 CA PRO A 36 0.565 1.437 5.989 1.00 0.00 C ATOM 584 C PRO A 36 1.815 0.741 5.448 1.00 0.00 C ATOM 585 O PRO A 36 2.824 1.365 5.190 1.00 0.00 O ATOM 586 CB PRO A 36 -0.181 0.523 6.970 1.00 0.00 C ATOM 587 CG PRO A 36 -1.591 0.254 6.385 1.00 0.00 C ATOM 588 CD PRO A 36 -1.697 1.011 5.051 1.00 0.00 C ATOM 0 HA PRO A 36 0.901 2.359 6.463 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.361 -0.413 7.108 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.257 0.995 7.950 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.744 -0.814 6.231 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.363 0.590 7.078 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.887 0.329 4.223 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.517 1.729 5.067 1.00 0.00 H new ATOM 596 N GLY A 37 1.756 -0.549 5.278 1.00 0.00 N ATOM 597 CA GLY A 37 2.941 -1.284 4.756 1.00 0.00 C ATOM 598 C GLY A 37 3.677 -1.958 5.916 1.00 0.00 C ATOM 599 O GLY A 37 3.083 -2.333 6.907 1.00 0.00 O ATOM 0 H GLY A 37 0.939 -1.126 5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.626 -2.032 4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.609 -0.596 4.238 1.00 0.00 H new ATOM 603 N GLY A 38 4.968 -2.118 5.799 1.00 0.00 N ATOM 604 CA GLY A 38 5.740 -2.772 6.895 1.00 0.00 C ATOM 605 C GLY A 38 7.073 -2.046 7.091 1.00 0.00 C ATOM 606 O GLY A 38 8.030 -2.608 7.588 1.00 0.00 O ATOM 0 H GLY A 38 5.521 -1.825 4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.164 -2.752 7.820 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.918 -3.820 6.653 1.00 0.00 H new ATOM 610 N LYS A 39 7.143 -0.801 6.708 1.00 0.00 N ATOM 611 CA LYS A 39 8.411 -0.032 6.875 1.00 0.00 C ATOM 612 C LYS A 39 9.472 -0.553 5.903 1.00 0.00 C ATOM 613 O LYS A 39 9.507 -1.720 5.564 1.00 0.00 O ATOM 614 CB LYS A 39 8.917 -0.179 8.313 1.00 0.00 C ATOM 615 CG LYS A 39 8.747 1.151 9.050 1.00 0.00 C ATOM 616 CD LYS A 39 7.313 1.656 8.866 1.00 0.00 C ATOM 617 CE LYS A 39 6.812 2.267 10.177 1.00 0.00 C ATOM 618 NZ LYS A 39 5.458 2.854 9.964 1.00 0.00 N ATOM 0 H LYS A 39 6.375 -0.280 6.285 1.00 0.00 H new ATOM 0 HA LYS A 39 8.219 1.020 6.663 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.363 -0.965 8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.966 -0.476 8.313 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.966 1.022 10.110 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.455 1.885 8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.278 2.399 8.070 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.663 0.835 8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.772 1.504 10.955 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.504 3.036 10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.116 3.270 10.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.511 3.593 9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.801 2.109 9.655 1.00 0.00 H new ATOM 632 N ILE A 40 10.336 0.315 5.454 1.00 0.00 N ATOM 633 CA ILE A 40 11.408 -0.095 4.503 1.00 0.00 C ATOM 634 C ILE A 40 12.725 -0.248 5.275 1.00 0.00 C ATOM 635 O ILE A 40 13.217 0.692 5.869 1.00 0.00 O ATOM 636 CB ILE A 40 11.524 0.985 3.408 1.00 0.00 C ATOM 637 CG1 ILE A 40 11.726 0.318 2.051 1.00 0.00 C ATOM 638 CG2 ILE A 40 12.695 1.937 3.683 1.00 0.00 C ATOM 639 CD1 ILE A 40 10.773 0.953 1.041 1.00 0.00 C ATOM 0 H ILE A 40 10.345 1.303 5.709 1.00 0.00 H new ATOM 0 HA ILE A 40 11.174 -1.050 4.033 1.00 0.00 H new ATOM 0 HB ILE A 40 10.602 1.566 3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.758 0.438 1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.537 -0.753 2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.749 2.686 2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.544 2.432 4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.626 1.371 3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.909 0.483 0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.744 0.810 1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.984 2.019 0.962 1.00 0.00 H new ATOM 651 N GLU A 41 13.297 -1.419 5.280 1.00 0.00 N ATOM 652 CA GLU A 41 14.573 -1.614 6.020 1.00 0.00 C ATOM 653 C GLU A 41 15.721 -1.064 5.177 1.00 0.00 C ATOM 654 O GLU A 41 15.515 -0.261 4.290 1.00 0.00 O ATOM 655 CB GLU A 41 14.803 -3.108 6.276 1.00 0.00 C ATOM 656 CG GLU A 41 13.462 -3.847 6.325 1.00 0.00 C ATOM 657 CD GLU A 41 13.293 -4.683 5.054 1.00 0.00 C ATOM 658 OE1 GLU A 41 13.112 -4.097 4.001 1.00 0.00 O ATOM 659 OE2 GLU A 41 13.348 -5.898 5.158 1.00 0.00 O ATOM 0 H GLU A 41 12.937 -2.247 4.805 1.00 0.00 H new ATOM 0 HA GLU A 41 14.525 -1.091 6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.429 -3.527 5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.337 -3.246 7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.421 -4.490 7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.644 -3.132 6.414 1.00 0.00 H new ATOM 666 N MET A 42 16.927 -1.490 5.442 1.00 0.00 N ATOM 667 CA MET A 42 18.083 -0.990 4.645 1.00 0.00 C ATOM 668 C MET A 42 17.685 -0.939 3.168 1.00 0.00 C ATOM 669 O MET A 42 17.808 0.079 2.517 1.00 0.00 O ATOM 670 CB MET A 42 19.272 -1.937 4.825 1.00 0.00 C ATOM 671 CG MET A 42 20.398 -1.208 5.560 1.00 0.00 C ATOM 672 SD MET A 42 20.610 -1.928 7.208 1.00 0.00 S ATOM 673 CE MET A 42 19.268 -1.032 8.026 1.00 0.00 C ATOM 0 H MET A 42 17.161 -2.161 6.174 1.00 0.00 H new ATOM 0 HA MET A 42 18.363 0.007 4.984 1.00 0.00 H new ATOM 0 HB2 MET A 42 18.966 -2.818 5.389 1.00 0.00 H new ATOM 0 HB3 MET A 42 19.623 -2.286 3.854 1.00 0.00 H new ATOM 0 HG2 MET A 42 21.327 -1.287 4.995 1.00 0.00 H new ATOM 0 HG3 MET A 42 20.165 -0.146 5.643 1.00 0.00 H new ATOM 0 HE1 MET A 42 19.515 -0.888 9.078 1.00 0.00 H new ATOM 0 HE2 MET A 42 19.135 -0.061 7.548 1.00 0.00 H new ATOM 0 HE3 MET A 42 18.345 -1.606 7.945 1.00 0.00 H new ATOM 683 N GLY A 43 17.190 -2.028 2.645 1.00 0.00 N ATOM 684 CA GLY A 43 16.761 -2.050 1.218 1.00 0.00 C ATOM 685 C GLY A 43 17.935 -1.688 0.307 1.00 0.00 C ATOM 686 O GLY A 43 18.525 -0.633 0.422 1.00 0.00 O ATOM 0 H GLY A 43 17.064 -2.907 3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.383 -3.039 0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 43 15.943 -1.346 1.066 1.00 0.00 H new ATOM 690 N GLU A 44 18.267 -2.554 -0.610 1.00 0.00 N ATOM 691 CA GLU A 44 19.390 -2.260 -1.543 1.00 0.00 C ATOM 692 C GLU A 44 18.812 -1.931 -2.922 1.00 0.00 C ATOM 693 O GLU A 44 19.510 -1.484 -3.811 1.00 0.00 O ATOM 694 CB GLU A 44 20.303 -3.484 -1.647 1.00 0.00 C ATOM 695 CG GLU A 44 20.933 -3.769 -0.282 1.00 0.00 C ATOM 696 CD GLU A 44 21.868 -4.975 -0.393 1.00 0.00 C ATOM 697 OE1 GLU A 44 22.160 -5.372 -1.509 1.00 0.00 O ATOM 698 OE2 GLU A 44 22.276 -5.482 0.639 1.00 0.00 O ATOM 0 H GLU A 44 17.808 -3.454 -0.753 1.00 0.00 H new ATOM 0 HA GLU A 44 19.969 -1.414 -1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 44 19.732 -4.349 -1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 44 21.082 -3.308 -2.389 1.00 0.00 H new ATOM 0 HG2 GLU A 44 21.487 -2.896 0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 44 20.155 -3.965 0.456 1.00 0.00 H new ATOM 705 N THR A 45 17.535 -2.148 -3.101 1.00 0.00 N ATOM 706 CA THR A 45 16.896 -1.849 -4.410 1.00 0.00 C ATOM 707 C THR A 45 15.376 -1.727 -4.194 1.00 0.00 C ATOM 708 O THR A 45 14.886 -2.011 -3.118 1.00 0.00 O ATOM 709 CB THR A 45 17.263 -2.972 -5.410 1.00 0.00 C ATOM 710 OG1 THR A 45 17.674 -2.398 -6.645 1.00 0.00 O ATOM 711 CG2 THR A 45 16.079 -3.915 -5.657 1.00 0.00 C ATOM 0 H THR A 45 16.906 -2.522 -2.390 1.00 0.00 H new ATOM 0 HA THR A 45 17.252 -0.907 -4.826 1.00 0.00 H new ATOM 0 HB THR A 45 18.077 -3.553 -4.977 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.907 -3.111 -7.276 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.373 -4.691 -6.364 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.779 -4.376 -4.716 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.242 -3.349 -6.067 1.00 0.00 H new ATOM 719 N PRO A 46 14.677 -1.297 -5.213 1.00 0.00 N ATOM 720 CA PRO A 46 13.212 -1.118 -5.146 1.00 0.00 C ATOM 721 C PRO A 46 12.492 -2.440 -4.858 1.00 0.00 C ATOM 722 O PRO A 46 11.506 -2.472 -4.149 1.00 0.00 O ATOM 723 CB PRO A 46 12.819 -0.579 -6.528 1.00 0.00 C ATOM 724 CG PRO A 46 14.116 -0.446 -7.368 1.00 0.00 C ATOM 725 CD PRO A 46 15.285 -0.950 -6.511 1.00 0.00 C ATOM 0 HA PRO A 46 12.929 -0.444 -4.338 1.00 0.00 H new ATOM 0 HB2 PRO A 46 12.115 -1.253 -7.016 1.00 0.00 H new ATOM 0 HB3 PRO A 46 12.323 0.387 -6.435 1.00 0.00 H new ATOM 0 HG2 PRO A 46 14.037 -1.028 -8.286 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.277 0.592 -7.661 1.00 0.00 H new ATOM 0 HD2 PRO A 46 15.766 -1.816 -6.967 1.00 0.00 H new ATOM 0 HD3 PRO A 46 16.051 -0.183 -6.397 1.00 0.00 H new ATOM 733 N GLU A 47 12.960 -3.528 -5.399 1.00 0.00 N ATOM 734 CA GLU A 47 12.275 -4.826 -5.143 1.00 0.00 C ATOM 735 C GLU A 47 12.813 -5.443 -3.855 1.00 0.00 C ATOM 736 O GLU A 47 12.084 -5.714 -2.936 1.00 0.00 O ATOM 737 CB GLU A 47 12.537 -5.777 -6.312 1.00 0.00 C ATOM 738 CG GLU A 47 11.221 -6.054 -7.044 1.00 0.00 C ATOM 739 CD GLU A 47 11.244 -7.470 -7.622 1.00 0.00 C ATOM 740 OE1 GLU A 47 10.925 -8.394 -6.890 1.00 0.00 O ATOM 741 OE2 GLU A 47 11.578 -7.608 -8.787 1.00 0.00 O ATOM 0 H GLU A 47 13.781 -3.577 -6.003 1.00 0.00 H new ATOM 0 HA GLU A 47 11.203 -4.657 -5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.262 -5.338 -6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.967 -6.710 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.381 -5.944 -6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.077 -5.326 -7.843 1.00 0.00 H new ATOM 748 N GLN A 48 14.091 -5.651 -3.790 1.00 0.00 N ATOM 749 CA GLN A 48 14.719 -6.240 -2.595 1.00 0.00 C ATOM 750 C GLN A 48 14.057 -5.713 -1.352 1.00 0.00 C ATOM 751 O GLN A 48 13.967 -6.371 -0.339 1.00 0.00 O ATOM 752 CB GLN A 48 16.176 -5.823 -2.590 1.00 0.00 C ATOM 753 CG GLN A 48 16.999 -7.005 -2.150 1.00 0.00 C ATOM 754 CD GLN A 48 18.476 -6.761 -2.465 1.00 0.00 C ATOM 755 OE1 GLN A 48 19.329 -6.943 -1.618 1.00 0.00 O ATOM 756 NE2 GLN A 48 18.818 -6.356 -3.657 1.00 0.00 N ATOM 0 H GLN A 48 14.743 -5.428 -4.542 1.00 0.00 H new ATOM 0 HA GLN A 48 14.619 -7.325 -2.615 1.00 0.00 H new ATOM 0 HB2 GLN A 48 16.482 -5.495 -3.584 1.00 0.00 H new ATOM 0 HB3 GLN A 48 16.329 -4.981 -1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 48 16.869 -7.171 -1.081 1.00 0.00 H new ATOM 0 HG3 GLN A 48 16.655 -7.907 -2.656 1.00 0.00 H new ATOM 0 HE21 GLN A 48 18.103 -6.203 -4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 48 19.800 -6.192 -3.878 1.00 0.00 H new ATOM 765 N ALA A 49 13.620 -4.521 -1.425 1.00 0.00 N ATOM 766 CA ALA A 49 12.976 -3.912 -0.244 1.00 0.00 C ATOM 767 C ALA A 49 11.678 -4.651 0.106 1.00 0.00 C ATOM 768 O ALA A 49 11.563 -5.252 1.156 1.00 0.00 O ATOM 769 CB ALA A 49 12.676 -2.432 -0.490 1.00 0.00 C ATOM 0 H ALA A 49 13.674 -3.926 -2.251 1.00 0.00 H new ATOM 0 HA ALA A 49 13.669 -3.996 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.202 -2.005 0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.606 -1.901 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.006 -2.334 -1.344 1.00 0.00 H new ATOM 775 N VAL A 50 10.692 -4.601 -0.750 1.00 0.00 N ATOM 776 CA VAL A 50 9.400 -5.290 -0.440 1.00 0.00 C ATOM 777 C VAL A 50 9.504 -6.781 -0.760 1.00 0.00 C ATOM 778 O VAL A 50 9.083 -7.620 0.006 1.00 0.00 O ATOM 779 CB VAL A 50 8.284 -4.646 -1.263 1.00 0.00 C ATOM 780 CG1 VAL A 50 8.195 -5.280 -2.655 1.00 0.00 C ATOM 781 CG2 VAL A 50 6.949 -4.813 -0.545 1.00 0.00 C ATOM 0 H VAL A 50 10.722 -4.116 -1.647 1.00 0.00 H new ATOM 0 HA VAL A 50 9.176 -5.186 0.622 1.00 0.00 H new ATOM 0 HB VAL A 50 8.512 -3.586 -1.376 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.394 -4.805 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.141 -5.142 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.987 -6.345 -2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.158 -4.352 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.735 -5.874 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.999 -4.332 0.432 1.00 0.00 H new ATOM 791 N VAL A 51 10.049 -7.105 -1.893 1.00 0.00 N ATOM 792 CA VAL A 51 10.189 -8.531 -2.287 1.00 0.00 C ATOM 793 C VAL A 51 10.606 -9.355 -1.067 1.00 0.00 C ATOM 794 O VAL A 51 10.036 -10.387 -0.777 1.00 0.00 O ATOM 795 CB VAL A 51 11.254 -8.645 -3.380 1.00 0.00 C ATOM 796 CG1 VAL A 51 12.648 -8.484 -2.774 1.00 0.00 C ATOM 797 CG2 VAL A 51 11.152 -10.012 -4.039 1.00 0.00 C ATOM 0 H VAL A 51 10.409 -6.435 -2.573 1.00 0.00 H new ATOM 0 HA VAL A 51 9.239 -8.908 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 51 11.091 -7.861 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.398 -8.567 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.727 -7.507 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.814 -9.264 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.909 -10.098 -4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.311 -10.789 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.162 -10.130 -4.480 1.00 0.00 H new ATOM 807 N ARG A 52 11.592 -8.898 -0.346 1.00 0.00 N ATOM 808 CA ARG A 52 12.049 -9.614 0.846 1.00 0.00 C ATOM 809 C ARG A 52 11.028 -9.401 1.966 1.00 0.00 C ATOM 810 O ARG A 52 10.783 -10.280 2.765 1.00 0.00 O ATOM 811 CB ARG A 52 13.420 -9.032 1.201 1.00 0.00 C ATOM 812 CG ARG A 52 13.481 -8.610 2.667 1.00 0.00 C ATOM 813 CD ARG A 52 14.922 -8.262 3.044 1.00 0.00 C ATOM 814 NE ARG A 52 15.506 -9.367 3.854 1.00 0.00 N ATOM 815 CZ ARG A 52 16.797 -9.438 4.025 1.00 0.00 C ATOM 816 NH1 ARG A 52 17.602 -9.184 3.030 1.00 0.00 N ATOM 817 NH2 ARG A 52 17.284 -9.762 5.191 1.00 0.00 N ATOM 0 H ARG A 52 12.102 -8.038 -0.549 1.00 0.00 H new ATOM 0 HA ARG A 52 12.138 -10.689 0.687 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.195 -9.772 1.001 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.629 -8.172 0.564 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.833 -7.750 2.835 1.00 0.00 H new ATOM 0 HG3 ARG A 52 13.113 -9.415 3.303 1.00 0.00 H new ATOM 0 HD2 ARG A 52 15.516 -8.104 2.144 1.00 0.00 H new ATOM 0 HD3 ARG A 52 14.946 -7.331 3.610 1.00 0.00 H new ATOM 0 HE ARG A 52 14.896 -10.068 4.275 1.00 0.00 H new ATOM 0 HH11 ARG A 52 17.222 -8.930 2.118 1.00 0.00 H new ATOM 0 HH12 ARG A 52 18.612 -9.240 3.164 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.655 -9.960 5.969 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.294 -9.817 5.324 1.00 0.00 H new ATOM 831 N GLU A 53 10.417 -8.247 2.029 1.00 0.00 N ATOM 832 CA GLU A 53 9.410 -8.023 3.098 1.00 0.00 C ATOM 833 C GLU A 53 8.300 -9.053 2.935 1.00 0.00 C ATOM 834 O GLU A 53 7.557 -9.325 3.848 1.00 0.00 O ATOM 835 CB GLU A 53 8.818 -6.621 2.967 1.00 0.00 C ATOM 836 CG GLU A 53 9.741 -5.607 3.644 1.00 0.00 C ATOM 837 CD GLU A 53 8.901 -4.633 4.471 1.00 0.00 C ATOM 838 OE1 GLU A 53 8.281 -5.076 5.423 1.00 0.00 O ATOM 839 OE2 GLU A 53 8.890 -3.459 4.136 1.00 0.00 O ATOM 0 H GLU A 53 10.571 -7.463 1.395 1.00 0.00 H new ATOM 0 HA GLU A 53 9.880 -8.120 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.691 -6.366 1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.829 -6.589 3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.458 -6.121 4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.316 -5.064 2.894 1.00 0.00 H new ATOM 846 N LEU A 54 8.193 -9.620 1.763 1.00 0.00 N ATOM 847 CA LEU A 54 7.137 -10.630 1.493 1.00 0.00 C ATOM 848 C LEU A 54 7.497 -11.964 2.146 1.00 0.00 C ATOM 849 O LEU A 54 6.848 -12.407 3.060 1.00 0.00 O ATOM 850 CB LEU A 54 7.010 -10.834 -0.024 1.00 0.00 C ATOM 851 CG LEU A 54 6.091 -9.766 -0.627 1.00 0.00 C ATOM 852 CD1 LEU A 54 6.347 -9.657 -2.131 1.00 0.00 C ATOM 853 CD2 LEU A 54 4.629 -10.161 -0.398 1.00 0.00 C ATOM 0 H LEU A 54 8.804 -9.421 0.971 1.00 0.00 H new ATOM 0 HA LEU A 54 6.194 -10.274 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.994 -10.782 -0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.611 -11.827 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 54 6.294 -8.808 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.692 -8.897 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.387 -9.379 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.145 -10.617 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.975 -9.401 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.432 -11.121 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.437 -10.242 0.672 1.00 0.00 H new ATOM 865 N GLN A 55 8.506 -12.626 1.665 1.00 0.00 N ATOM 866 CA GLN A 55 8.862 -13.953 2.246 1.00 0.00 C ATOM 867 C GLN A 55 9.237 -13.839 3.726 1.00 0.00 C ATOM 868 O GLN A 55 9.053 -14.770 4.485 1.00 0.00 O ATOM 869 CB GLN A 55 10.035 -14.550 1.467 1.00 0.00 C ATOM 870 CG GLN A 55 11.200 -13.558 1.464 1.00 0.00 C ATOM 871 CD GLN A 55 12.520 -14.320 1.597 1.00 0.00 C ATOM 872 OE1 GLN A 55 12.538 -15.457 2.024 1.00 0.00 O ATOM 873 NE2 GLN A 55 13.634 -13.738 1.245 1.00 0.00 N ATOM 0 H GLN A 55 9.100 -12.311 0.898 1.00 0.00 H new ATOM 0 HA GLN A 55 7.989 -14.601 2.169 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.346 -15.491 1.920 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.731 -14.774 0.445 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.195 -12.977 0.542 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.092 -12.851 2.286 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.619 -12.783 0.886 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.519 -14.238 1.329 1.00 0.00 H new ATOM 882 N GLU A 56 9.753 -12.724 4.155 1.00 0.00 N ATOM 883 CA GLU A 56 10.118 -12.603 5.598 1.00 0.00 C ATOM 884 C GLU A 56 8.841 -12.481 6.443 1.00 0.00 C ATOM 885 O GLU A 56 8.894 -12.352 7.650 1.00 0.00 O ATOM 886 CB GLU A 56 11.007 -11.373 5.809 1.00 0.00 C ATOM 887 CG GLU A 56 10.157 -10.103 5.760 1.00 0.00 C ATOM 888 CD GLU A 56 9.951 -9.575 7.181 1.00 0.00 C ATOM 889 OE1 GLU A 56 10.788 -9.855 8.024 1.00 0.00 O ATOM 890 OE2 GLU A 56 8.960 -8.898 7.402 1.00 0.00 O ATOM 0 H GLU A 56 9.937 -11.901 3.582 1.00 0.00 H new ATOM 0 HA GLU A 56 10.668 -13.492 5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.517 -11.443 6.770 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.779 -11.335 5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.648 -9.347 5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.194 -10.314 5.295 1.00 0.00 H new ATOM 897 N GLU A 57 7.696 -12.521 5.811 1.00 0.00 N ATOM 898 CA GLU A 57 6.413 -12.409 6.558 1.00 0.00 C ATOM 899 C GLU A 57 5.344 -13.316 5.909 1.00 0.00 C ATOM 900 O GLU A 57 4.943 -14.312 6.479 1.00 0.00 O ATOM 901 CB GLU A 57 5.961 -10.949 6.536 1.00 0.00 C ATOM 902 CG GLU A 57 6.532 -10.220 7.754 1.00 0.00 C ATOM 903 CD GLU A 57 5.470 -10.157 8.853 1.00 0.00 C ATOM 904 OE1 GLU A 57 4.466 -10.836 8.718 1.00 0.00 O ATOM 905 OE2 GLU A 57 5.679 -9.431 9.811 1.00 0.00 O ATOM 0 H GLU A 57 7.597 -12.627 4.801 1.00 0.00 H new ATOM 0 HA GLU A 57 6.552 -12.732 7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.299 -10.466 5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.872 -10.894 6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.419 -10.738 8.119 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.843 -9.213 7.476 1.00 0.00 H new ATOM 912 N VAL A 58 4.887 -12.994 4.717 1.00 0.00 N ATOM 913 CA VAL A 58 3.867 -13.844 4.038 1.00 0.00 C ATOM 914 C VAL A 58 4.542 -14.503 2.830 1.00 0.00 C ATOM 915 O VAL A 58 4.594 -15.711 2.716 1.00 0.00 O ATOM 916 CB VAL A 58 2.674 -12.964 3.624 1.00 0.00 C ATOM 917 CG1 VAL A 58 2.941 -12.229 2.308 1.00 0.00 C ATOM 918 CG2 VAL A 58 1.439 -13.825 3.456 1.00 0.00 C ATOM 0 H VAL A 58 5.182 -12.173 4.188 1.00 0.00 H new ATOM 0 HA VAL A 58 3.485 -14.623 4.697 1.00 0.00 H new ATOM 0 HB VAL A 58 2.524 -12.224 4.410 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.076 -11.619 2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.816 -11.589 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.122 -12.955 1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.596 -13.199 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.620 -14.574 2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.211 -14.322 4.399 1.00 0.00 H new ATOM 928 N GLY A 59 5.128 -13.714 1.975 1.00 0.00 N ATOM 929 CA GLY A 59 5.882 -14.264 0.827 1.00 0.00 C ATOM 930 C GLY A 59 4.999 -14.656 -0.365 1.00 0.00 C ATOM 931 O GLY A 59 5.197 -15.705 -0.947 1.00 0.00 O ATOM 0 H GLY A 59 5.113 -12.695 2.028 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.613 -13.526 0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.440 -15.140 1.157 1.00 0.00 H new ATOM 935 N ILE A 60 4.078 -13.832 -0.800 1.00 0.00 N ATOM 936 CA ILE A 60 3.308 -14.238 -2.016 1.00 0.00 C ATOM 937 C ILE A 60 4.193 -13.930 -3.205 1.00 0.00 C ATOM 938 O ILE A 60 4.662 -12.826 -3.376 1.00 0.00 O ATOM 939 CB ILE A 60 2.010 -13.459 -2.216 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.054 -12.170 -1.429 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.798 -14.290 -1.786 1.00 0.00 C ATOM 942 CD1 ILE A 60 0.806 -11.361 -1.755 1.00 0.00 C ATOM 0 H ILE A 60 3.832 -12.932 -0.387 1.00 0.00 H new ATOM 0 HA ILE A 60 3.042 -15.289 -1.906 1.00 0.00 H new ATOM 0 HB ILE A 60 1.910 -13.232 -3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.101 -12.380 -0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.950 -11.603 -1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.113 -13.711 -1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.753 -15.202 -2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.890 -14.549 -0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.822 -10.426 -1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.782 -11.144 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.080 -11.933 -1.481 1.00 0.00 H new ATOM 954 N THR A 61 4.446 -14.893 -4.007 1.00 0.00 N ATOM 955 CA THR A 61 5.328 -14.648 -5.177 1.00 0.00 C ATOM 956 C THR A 61 4.996 -15.525 -6.405 1.00 0.00 C ATOM 957 O THR A 61 5.870 -15.721 -7.226 1.00 0.00 O ATOM 958 CB THR A 61 6.766 -14.941 -4.758 1.00 0.00 C ATOM 959 OG1 THR A 61 7.660 -14.432 -5.737 1.00 0.00 O ATOM 960 CG2 THR A 61 6.946 -16.453 -4.630 1.00 0.00 C ATOM 0 H THR A 61 4.088 -15.844 -3.916 1.00 0.00 H new ATOM 0 HA THR A 61 5.178 -13.611 -5.477 1.00 0.00 H new ATOM 0 HB THR A 61 6.978 -14.464 -3.801 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.366 -14.715 -6.628 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.971 -16.673 -4.331 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.258 -16.839 -3.878 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.738 -16.927 -5.589 1.00 0.00 H new ATOM 968 N PRO A 62 3.784 -16.029 -6.550 1.00 0.00 N ATOM 969 CA PRO A 62 3.474 -16.846 -7.728 1.00 0.00 C ATOM 970 C PRO A 62 3.629 -16.010 -8.987 1.00 0.00 C ATOM 971 O PRO A 62 4.226 -16.417 -9.964 1.00 0.00 O ATOM 972 CB PRO A 62 2.026 -17.289 -7.555 1.00 0.00 C ATOM 973 CG PRO A 62 1.515 -16.667 -6.247 1.00 0.00 C ATOM 974 CD PRO A 62 2.656 -15.860 -5.620 1.00 0.00 C ATOM 0 HA PRO A 62 4.142 -17.703 -7.820 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.420 -16.961 -8.400 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.958 -18.376 -7.517 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.657 -16.023 -6.442 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.180 -17.446 -5.562 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.386 -14.810 -5.511 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.903 -16.230 -4.625 1.00 0.00 H new ATOM 982 N GLN A 63 3.074 -14.845 -8.957 1.00 0.00 N ATOM 983 CA GLN A 63 3.146 -13.940 -10.138 1.00 0.00 C ATOM 984 C GLN A 63 2.803 -12.503 -9.719 1.00 0.00 C ATOM 985 O GLN A 63 3.270 -11.544 -10.300 1.00 0.00 O ATOM 986 CB GLN A 63 2.130 -14.417 -11.177 1.00 0.00 C ATOM 987 CG GLN A 63 0.879 -14.940 -10.459 1.00 0.00 C ATOM 988 CD GLN A 63 -0.027 -15.654 -11.463 1.00 0.00 C ATOM 989 OE1 GLN A 63 -0.848 -16.467 -11.087 1.00 0.00 O ATOM 990 NE2 GLN A 63 0.087 -15.384 -12.736 1.00 0.00 N ATOM 0 H GLN A 63 2.565 -14.468 -8.158 1.00 0.00 H new ATOM 0 HA GLN A 63 4.153 -13.958 -10.554 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.864 -13.598 -11.845 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.565 -15.203 -11.794 1.00 0.00 H new ATOM 0 HG2 GLN A 63 1.165 -15.625 -9.661 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.342 -14.114 -9.993 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.776 -14.702 -13.053 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.513 -15.855 -13.413 1.00 0.00 H new ATOM 999 N HIS A 64 1.957 -12.360 -8.737 1.00 0.00 N ATOM 1000 CA HIS A 64 1.519 -11.014 -8.281 1.00 0.00 C ATOM 1001 C HIS A 64 2.671 -10.008 -8.195 1.00 0.00 C ATOM 1002 O HIS A 64 3.557 -10.108 -7.372 1.00 0.00 O ATOM 1003 CB HIS A 64 0.820 -11.168 -6.918 1.00 0.00 C ATOM 1004 CG HIS A 64 1.780 -10.938 -5.773 1.00 0.00 C ATOM 1005 ND1 HIS A 64 1.596 -9.922 -4.847 1.00 0.00 N ATOM 1006 CD2 HIS A 64 2.935 -11.578 -5.398 1.00 0.00 C ATOM 1007 CE1 HIS A 64 2.615 -9.977 -3.973 1.00 0.00 C ATOM 1008 NE2 HIS A 64 3.460 -10.967 -4.262 1.00 0.00 N ATOM 0 H HIS A 64 1.543 -13.137 -8.222 1.00 0.00 H new ATOM 0 HA HIS A 64 0.829 -10.608 -9.021 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.006 -10.460 -6.849 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.391 -12.167 -6.839 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.370 -12.426 -5.906 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.735 -9.302 -3.139 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.310 -11.222 -3.759 1.00 0.00 H new ATOM 1016 N PHE A 65 2.636 -9.008 -9.030 1.00 0.00 N ATOM 1017 CA PHE A 65 3.682 -7.964 -8.977 1.00 0.00 C ATOM 1018 C PHE A 65 3.543 -7.023 -10.171 1.00 0.00 C ATOM 1019 O PHE A 65 3.445 -7.445 -11.305 1.00 0.00 O ATOM 1020 CB PHE A 65 5.056 -8.598 -9.011 1.00 0.00 C ATOM 1021 CG PHE A 65 5.797 -8.278 -7.735 1.00 0.00 C ATOM 1022 CD1 PHE A 65 5.824 -6.964 -7.254 1.00 0.00 C ATOM 1023 CD2 PHE A 65 6.459 -9.294 -7.035 1.00 0.00 C ATOM 1024 CE1 PHE A 65 6.511 -6.664 -6.071 1.00 0.00 C ATOM 1025 CE2 PHE A 65 7.146 -8.994 -5.851 1.00 0.00 C ATOM 1026 CZ PHE A 65 7.172 -7.680 -5.370 1.00 0.00 C ATOM 0 H PHE A 65 1.924 -8.873 -9.747 1.00 0.00 H new ATOM 0 HA PHE A 65 3.561 -7.403 -8.050 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.966 -9.678 -9.129 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.616 -8.229 -9.870 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.315 -6.181 -7.796 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.440 -10.308 -7.407 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.531 -5.650 -5.700 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.656 -9.777 -5.309 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.702 -7.450 -4.458 1.00 0.00 H new ATOM 1036 N SER A 66 3.544 -5.744 -9.919 1.00 0.00 N ATOM 1037 CA SER A 66 3.422 -4.764 -11.036 1.00 0.00 C ATOM 1038 C SER A 66 3.845 -3.368 -10.575 1.00 0.00 C ATOM 1039 O SER A 66 4.393 -2.596 -11.332 1.00 0.00 O ATOM 1040 CB SER A 66 1.974 -4.722 -11.525 1.00 0.00 C ATOM 1041 OG SER A 66 1.886 -5.368 -12.788 1.00 0.00 O ATOM 0 H SER A 66 3.624 -5.334 -8.988 1.00 0.00 H new ATOM 0 HA SER A 66 4.077 -5.078 -11.849 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.321 -5.215 -10.805 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.636 -3.689 -11.608 1.00 0.00 H new ATOM 0 HG SER A 66 2.346 -6.232 -12.746 1.00 0.00 H new ATOM 1047 N LEU A 67 3.562 -3.041 -9.345 1.00 0.00 N ATOM 1048 CA LEU A 67 3.896 -1.686 -8.806 1.00 0.00 C ATOM 1049 C LEU A 67 3.626 -0.637 -9.879 1.00 0.00 C ATOM 1050 O LEU A 67 4.437 -0.389 -10.750 1.00 0.00 O ATOM 1051 CB LEU A 67 5.356 -1.614 -8.374 1.00 0.00 C ATOM 1052 CG LEU A 67 5.686 -0.168 -7.975 1.00 0.00 C ATOM 1053 CD1 LEU A 67 4.975 0.183 -6.666 1.00 0.00 C ATOM 1054 CD2 LEU A 67 7.193 -0.014 -7.777 1.00 0.00 C ATOM 0 H LEU A 67 3.106 -3.663 -8.677 1.00 0.00 H new ATOM 0 HA LEU A 67 3.272 -1.495 -7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.534 -2.287 -7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.006 -1.939 -9.187 1.00 0.00 H new ATOM 0 HG LEU A 67 5.350 0.500 -8.768 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.212 1.210 -6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.898 0.083 -6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.308 -0.493 -5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.420 1.014 -7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.527 -0.689 -6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.709 -0.257 -8.706 1.00 0.00 H new ATOM 1066 N PHE A 68 2.481 -0.027 -9.826 1.00 0.00 N ATOM 1067 CA PHE A 68 2.129 0.989 -10.841 1.00 0.00 C ATOM 1068 C PHE A 68 3.029 2.208 -10.716 1.00 0.00 C ATOM 1069 O PHE A 68 3.657 2.633 -11.666 1.00 0.00 O ATOM 1070 CB PHE A 68 0.670 1.379 -10.645 1.00 0.00 C ATOM 1071 CG PHE A 68 0.466 2.261 -9.440 1.00 0.00 C ATOM 1072 CD1 PHE A 68 0.212 1.689 -8.188 1.00 0.00 C ATOM 1073 CD2 PHE A 68 0.502 3.653 -9.581 1.00 0.00 C ATOM 1074 CE1 PHE A 68 -0.008 2.509 -7.075 1.00 0.00 C ATOM 1075 CE2 PHE A 68 0.287 4.473 -8.468 1.00 0.00 C ATOM 1076 CZ PHE A 68 0.030 3.900 -7.216 1.00 0.00 C ATOM 0 H PHE A 68 1.768 -0.192 -9.115 1.00 0.00 H new ATOM 0 HA PHE A 68 2.272 0.576 -11.840 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.313 1.897 -11.535 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.067 0.477 -10.538 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.186 0.615 -8.081 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.696 4.094 -10.548 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.207 2.068 -6.109 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.319 5.547 -8.574 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.139 4.534 -6.358 1.00 0.00 H new ATOM 1086 N GLU A 69 3.095 2.771 -9.557 1.00 0.00 N ATOM 1087 CA GLU A 69 3.958 3.974 -9.365 1.00 0.00 C ATOM 1088 C GLU A 69 3.842 4.485 -7.927 1.00 0.00 C ATOM 1089 O GLU A 69 2.763 4.601 -7.381 1.00 0.00 O ATOM 1090 CB GLU A 69 3.512 5.074 -10.330 1.00 0.00 C ATOM 1091 CG GLU A 69 4.694 5.991 -10.644 1.00 0.00 C ATOM 1092 CD GLU A 69 4.217 7.443 -10.688 1.00 0.00 C ATOM 1093 OE1 GLU A 69 3.038 7.667 -10.466 1.00 0.00 O ATOM 1094 OE2 GLU A 69 5.039 8.309 -10.942 1.00 0.00 O ATOM 0 H GLU A 69 2.592 2.458 -8.726 1.00 0.00 H new ATOM 0 HA GLU A 69 4.995 3.703 -9.563 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.128 4.632 -11.249 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.699 5.650 -9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.469 5.875 -9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.138 5.714 -11.600 1.00 0.00 H new ATOM 1101 N LYS A 70 4.954 4.787 -7.312 1.00 0.00 N ATOM 1102 CA LYS A 70 4.937 5.286 -5.923 1.00 0.00 C ATOM 1103 C LYS A 70 4.951 6.817 -5.922 1.00 0.00 C ATOM 1104 O LYS A 70 5.189 7.445 -6.934 1.00 0.00 O ATOM 1105 CB LYS A 70 6.191 4.777 -5.233 1.00 0.00 C ATOM 1106 CG LYS A 70 7.428 5.352 -5.927 1.00 0.00 C ATOM 1107 CD LYS A 70 8.504 5.661 -4.885 1.00 0.00 C ATOM 1108 CE LYS A 70 9.654 4.665 -5.036 1.00 0.00 C ATOM 1109 NZ LYS A 70 10.939 5.407 -5.174 1.00 0.00 N ATOM 0 H LYS A 70 5.882 4.705 -7.726 1.00 0.00 H new ATOM 0 HA LYS A 70 4.041 4.940 -5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.183 5.067 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.218 3.688 -5.263 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.810 4.641 -6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.164 6.259 -6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.870 6.679 -5.015 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.083 5.599 -3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.694 4.005 -4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.490 4.034 -5.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.722 4.730 -5.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.898 6.019 -6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.095 5.991 -4.328 1.00 0.00 H new ATOM 1123 N LEU A 71 4.709 7.421 -4.790 1.00 0.00 N ATOM 1124 CA LEU A 71 4.721 8.910 -4.721 1.00 0.00 C ATOM 1125 C LEU A 71 5.673 9.352 -3.607 1.00 0.00 C ATOM 1126 O LEU A 71 6.456 8.573 -3.104 1.00 0.00 O ATOM 1127 CB LEU A 71 3.310 9.419 -4.423 1.00 0.00 C ATOM 1128 CG LEU A 71 2.659 8.525 -3.368 1.00 0.00 C ATOM 1129 CD1 LEU A 71 3.370 8.718 -2.027 1.00 0.00 C ATOM 1130 CD2 LEU A 71 1.184 8.906 -3.220 1.00 0.00 C ATOM 0 H LEU A 71 4.504 6.948 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 71 5.057 9.320 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.351 10.449 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.712 9.419 -5.334 1.00 0.00 H new ATOM 0 HG LEU A 71 2.738 7.482 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.906 8.081 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.422 8.451 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.290 9.761 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.718 8.270 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.107 9.949 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.676 8.771 -4.175 1.00 0.00 H new ATOM 1142 N GLU A 72 5.614 10.596 -3.218 1.00 0.00 N ATOM 1143 CA GLU A 72 6.521 11.076 -2.136 1.00 0.00 C ATOM 1144 C GLU A 72 5.955 12.357 -1.522 1.00 0.00 C ATOM 1145 O GLU A 72 5.401 13.192 -2.207 1.00 0.00 O ATOM 1146 CB GLU A 72 7.906 11.361 -2.721 1.00 0.00 C ATOM 1147 CG GLU A 72 7.784 12.383 -3.853 1.00 0.00 C ATOM 1148 CD GLU A 72 8.836 12.088 -4.924 1.00 0.00 C ATOM 1149 OE1 GLU A 72 9.512 11.080 -4.800 1.00 0.00 O ATOM 1150 OE2 GLU A 72 8.948 12.874 -5.850 1.00 0.00 O ATOM 0 H GLU A 72 4.980 11.298 -3.600 1.00 0.00 H new ATOM 0 HA GLU A 72 6.601 10.310 -1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.569 11.741 -1.944 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.350 10.439 -3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.785 12.342 -4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.920 13.392 -3.463 1.00 0.00 H new ATOM 1157 N TYR A 73 6.091 12.517 -0.235 1.00 0.00 N ATOM 1158 CA TYR A 73 5.563 13.744 0.423 1.00 0.00 C ATOM 1159 C TYR A 73 6.655 14.359 1.305 1.00 0.00 C ATOM 1160 O TYR A 73 6.847 13.968 2.439 1.00 0.00 O ATOM 1161 CB TYR A 73 4.349 13.378 1.284 1.00 0.00 C ATOM 1162 CG TYR A 73 3.465 14.592 1.471 1.00 0.00 C ATOM 1163 CD1 TYR A 73 3.997 15.882 1.335 1.00 0.00 C ATOM 1164 CD2 TYR A 73 2.110 14.426 1.786 1.00 0.00 C ATOM 1165 CE1 TYR A 73 3.175 17.000 1.514 1.00 0.00 C ATOM 1166 CE2 TYR A 73 1.289 15.546 1.964 1.00 0.00 C ATOM 1167 CZ TYR A 73 1.822 16.833 1.828 1.00 0.00 C ATOM 1168 OH TYR A 73 1.014 17.938 2.005 1.00 0.00 O ATOM 0 H TYR A 73 6.545 11.851 0.390 1.00 0.00 H new ATOM 0 HA TYR A 73 5.263 14.466 -0.336 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.784 12.576 0.809 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.679 13.005 2.254 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.041 16.013 1.092 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.698 13.433 1.892 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.586 17.993 1.410 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.244 15.417 2.206 1.00 0.00 H new ATOM 0 HH TYR A 73 0.103 17.646 2.217 1.00 0.00 H new ATOM 1178 N GLU A 74 7.366 15.324 0.789 1.00 0.00 N ATOM 1179 CA GLU A 74 8.444 15.973 1.590 1.00 0.00 C ATOM 1180 C GLU A 74 7.834 17.063 2.467 1.00 0.00 C ATOM 1181 O GLU A 74 7.413 18.098 1.991 1.00 0.00 O ATOM 1182 CB GLU A 74 9.475 16.595 0.646 1.00 0.00 C ATOM 1183 CG GLU A 74 10.882 16.347 1.190 1.00 0.00 C ATOM 1184 CD GLU A 74 11.630 17.677 1.300 1.00 0.00 C ATOM 1185 OE1 GLU A 74 12.157 18.122 0.295 1.00 0.00 O ATOM 1186 OE2 GLU A 74 11.661 18.228 2.388 1.00 0.00 O ATOM 0 H GLU A 74 7.247 15.692 -0.155 1.00 0.00 H new ATOM 0 HA GLU A 74 8.931 15.228 2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.378 16.164 -0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.295 17.666 0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.826 15.868 2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.423 15.667 0.532 1.00 0.00 H new ATOM 1193 N PHE A 75 7.791 16.838 3.747 1.00 0.00 N ATOM 1194 CA PHE A 75 7.216 17.855 4.665 1.00 0.00 C ATOM 1195 C PHE A 75 8.262 18.943 4.915 1.00 0.00 C ATOM 1196 O PHE A 75 9.353 18.872 4.384 1.00 0.00 O ATOM 1197 CB PHE A 75 6.842 17.177 5.983 1.00 0.00 C ATOM 1198 CG PHE A 75 5.342 17.184 6.138 1.00 0.00 C ATOM 1199 CD1 PHE A 75 4.531 16.701 5.104 1.00 0.00 C ATOM 1200 CD2 PHE A 75 4.761 17.673 7.314 1.00 0.00 C ATOM 1201 CE1 PHE A 75 3.139 16.708 5.244 1.00 0.00 C ATOM 1202 CE2 PHE A 75 3.369 17.679 7.455 1.00 0.00 C ATOM 1203 CZ PHE A 75 2.558 17.197 6.420 1.00 0.00 C ATOM 0 H PHE A 75 8.131 15.989 4.199 1.00 0.00 H new ATOM 0 HA PHE A 75 6.326 18.304 4.225 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.216 16.153 5.998 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.308 17.699 6.819 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.980 16.323 4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.387 18.045 8.112 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.513 16.337 4.446 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.920 18.055 8.362 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.484 17.203 6.529 1.00 0.00 H new ATOM 1213 N PRO A 76 7.896 19.923 5.707 1.00 0.00 N ATOM 1214 CA PRO A 76 8.796 21.044 6.044 1.00 0.00 C ATOM 1215 C PRO A 76 9.861 20.614 7.069 1.00 0.00 C ATOM 1216 O PRO A 76 10.182 21.353 7.978 1.00 0.00 O ATOM 1217 CB PRO A 76 7.870 22.097 6.671 1.00 0.00 C ATOM 1218 CG PRO A 76 6.478 21.442 6.867 1.00 0.00 C ATOM 1219 CD PRO A 76 6.552 20.014 6.303 1.00 0.00 C ATOM 0 HA PRO A 76 9.334 21.409 5.169 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.270 22.439 7.626 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.794 22.972 6.026 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.209 21.423 7.923 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.708 22.017 6.353 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.414 19.270 7.087 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.775 19.840 5.559 1.00 0.00 H new ATOM 1227 N ASP A 77 10.417 19.435 6.937 1.00 0.00 N ATOM 1228 CA ASP A 77 11.455 18.995 7.911 1.00 0.00 C ATOM 1229 C ASP A 77 11.816 17.528 7.672 1.00 0.00 C ATOM 1230 O ASP A 77 12.891 17.082 8.020 1.00 0.00 O ATOM 1231 CB ASP A 77 10.922 19.164 9.335 1.00 0.00 C ATOM 1232 CG ASP A 77 11.782 20.181 10.083 1.00 0.00 C ATOM 1233 OD1 ASP A 77 11.861 21.310 9.627 1.00 0.00 O ATOM 1234 OD2 ASP A 77 12.350 19.816 11.099 1.00 0.00 O ATOM 0 H ASP A 77 10.197 18.764 6.201 1.00 0.00 H new ATOM 0 HA ASP A 77 12.348 19.606 7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 77 9.885 19.498 9.309 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.936 18.207 9.856 1.00 0.00 H new ATOM 1239 N ARG A 78 10.925 16.772 7.103 1.00 0.00 N ATOM 1240 CA ARG A 78 11.201 15.341 6.864 1.00 0.00 C ATOM 1241 C ARG A 78 11.017 15.014 5.382 1.00 0.00 C ATOM 1242 O ARG A 78 10.520 15.812 4.613 1.00 0.00 O ATOM 1243 CB ARG A 78 10.219 14.512 7.689 1.00 0.00 C ATOM 1244 CG ARG A 78 8.993 15.354 8.068 1.00 0.00 C ATOM 1245 CD ARG A 78 7.939 14.461 8.729 1.00 0.00 C ATOM 1246 NE ARG A 78 7.164 15.250 9.733 1.00 0.00 N ATOM 1247 CZ ARG A 78 7.763 16.142 10.476 1.00 0.00 C ATOM 1248 NH1 ARG A 78 8.965 15.911 10.931 1.00 0.00 N ATOM 1249 NH2 ARG A 78 7.163 17.264 10.764 1.00 0.00 N ATOM 0 H ARG A 78 10.008 17.092 6.791 1.00 0.00 H new ATOM 0 HA ARG A 78 12.227 15.112 7.153 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.905 13.637 7.120 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.710 14.147 8.591 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.285 16.154 8.749 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.576 15.828 7.179 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.266 14.057 7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.421 13.612 9.214 1.00 0.00 H new ATOM 0 HE ARG A 78 6.162 15.091 9.839 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.436 15.034 10.706 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.433 16.607 11.511 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.224 17.446 10.409 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.633 17.959 11.344 1.00 0.00 H new ATOM 1263 N HIS A 79 11.409 13.836 4.981 1.00 0.00 N ATOM 1264 CA HIS A 79 11.255 13.439 3.555 1.00 0.00 C ATOM 1265 C HIS A 79 10.490 12.117 3.487 1.00 0.00 C ATOM 1266 O HIS A 79 11.068 11.051 3.551 1.00 0.00 O ATOM 1267 CB HIS A 79 12.636 13.267 2.920 1.00 0.00 C ATOM 1268 CG HIS A 79 13.558 14.332 3.448 1.00 0.00 C ATOM 1269 ND1 HIS A 79 14.785 14.033 4.020 1.00 0.00 N ATOM 1270 CD2 HIS A 79 13.439 15.697 3.506 1.00 0.00 C ATOM 1271 CE1 HIS A 79 15.350 15.195 4.397 1.00 0.00 C ATOM 1272 NE2 HIS A 79 14.571 16.242 4.106 1.00 0.00 N ATOM 0 H HIS A 79 11.831 13.129 5.583 1.00 0.00 H new ATOM 0 HA HIS A 79 10.706 14.210 3.014 1.00 0.00 H new ATOM 0 HB2 HIS A 79 13.034 12.278 3.148 1.00 0.00 H new ATOM 0 HB3 HIS A 79 12.562 13.338 1.835 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.595 16.264 3.141 1.00 0.00 H new ATOM 0 HE1 HIS A 79 16.315 15.272 4.876 1.00 0.00 H new ATOM 0 HE2 HIS A 79 14.764 17.227 4.285 1.00 0.00 H new ATOM 1280 N ILE A 80 9.193 12.178 3.364 1.00 0.00 N ATOM 1281 CA ILE A 80 8.392 10.923 3.299 1.00 0.00 C ATOM 1282 C ILE A 80 8.473 10.338 1.888 1.00 0.00 C ATOM 1283 O ILE A 80 8.387 11.046 0.905 1.00 0.00 O ATOM 1284 CB ILE A 80 6.930 11.227 3.637 1.00 0.00 C ATOM 1285 CG1 ILE A 80 6.850 11.910 5.005 1.00 0.00 C ATOM 1286 CG2 ILE A 80 6.137 9.920 3.674 1.00 0.00 C ATOM 1287 CD1 ILE A 80 7.232 10.910 6.099 1.00 0.00 C ATOM 0 H ILE A 80 8.653 13.042 3.306 1.00 0.00 H new ATOM 0 HA ILE A 80 8.789 10.205 4.017 1.00 0.00 H new ATOM 0 HB ILE A 80 6.512 11.888 2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 80 7.520 12.770 5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.841 12.286 5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.095 10.133 3.914 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.192 9.433 2.700 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.557 9.261 4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.175 11.397 7.073 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.545 10.064 6.075 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.249 10.556 5.929 1.00 0.00 H new ATOM 1299 N THR A 81 8.639 9.049 1.782 1.00 0.00 N ATOM 1300 CA THR A 81 8.724 8.422 0.433 1.00 0.00 C ATOM 1301 C THR A 81 8.263 6.966 0.518 1.00 0.00 C ATOM 1302 O THR A 81 9.058 6.058 0.660 1.00 0.00 O ATOM 1303 CB THR A 81 10.169 8.475 -0.066 1.00 0.00 C ATOM 1304 OG1 THR A 81 10.879 9.472 0.655 1.00 0.00 O ATOM 1305 CG2 THR A 81 10.179 8.814 -1.557 1.00 0.00 C ATOM 0 H THR A 81 8.719 8.404 2.568 1.00 0.00 H new ATOM 0 HA THR A 81 8.083 8.965 -0.261 1.00 0.00 H new ATOM 0 HB THR A 81 10.646 7.507 0.088 1.00 0.00 H new ATOM 0 HG1 THR A 81 11.806 9.507 0.338 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.208 8.852 -1.915 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.632 8.049 -2.108 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.704 9.783 -1.713 1.00 0.00 H new ATOM 1313 N LEU A 82 6.980 6.739 0.438 1.00 0.00 N ATOM 1314 CA LEU A 82 6.453 5.353 0.516 1.00 0.00 C ATOM 1315 C LEU A 82 5.961 4.918 -0.865 1.00 0.00 C ATOM 1316 O LEU A 82 5.668 5.737 -1.714 1.00 0.00 O ATOM 1317 CB LEU A 82 5.283 5.308 1.506 1.00 0.00 C ATOM 1318 CG LEU A 82 4.710 6.709 1.736 1.00 0.00 C ATOM 1319 CD1 LEU A 82 4.014 7.195 0.463 1.00 0.00 C ATOM 1320 CD2 LEU A 82 3.699 6.662 2.885 1.00 0.00 C ATOM 0 H LEU A 82 6.271 7.463 0.321 1.00 0.00 H new ATOM 0 HA LEU A 82 7.244 4.682 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.503 4.650 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.619 4.888 2.454 1.00 0.00 H new ATOM 0 HG LEU A 82 5.519 7.395 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.607 8.192 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.734 7.228 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.205 6.511 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.290 7.659 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.891 5.976 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.195 6.318 3.793 1.00 0.00 H new ATOM 1332 N TRP A 83 5.865 3.637 -1.105 1.00 0.00 N ATOM 1333 CA TRP A 83 5.391 3.172 -2.424 1.00 0.00 C ATOM 1334 C TRP A 83 4.294 2.119 -2.265 1.00 0.00 C ATOM 1335 O TRP A 83 4.265 1.374 -1.308 1.00 0.00 O ATOM 1336 CB TRP A 83 6.541 2.550 -3.210 1.00 0.00 C ATOM 1337 CG TRP A 83 7.459 1.725 -2.358 1.00 0.00 C ATOM 1338 CD1 TRP A 83 7.149 1.127 -1.181 1.00 0.00 C ATOM 1339 CD2 TRP A 83 8.840 1.360 -2.645 1.00 0.00 C ATOM 1340 NE1 TRP A 83 8.261 0.443 -0.722 1.00 0.00 N ATOM 1341 CE2 TRP A 83 9.327 0.555 -1.591 1.00 0.00 C ATOM 1342 CE3 TRP A 83 9.712 1.659 -3.709 1.00 0.00 C ATOM 1343 CZ2 TRP A 83 10.631 0.063 -1.592 1.00 0.00 C ATOM 1344 CZ3 TRP A 83 11.025 1.165 -3.713 1.00 0.00 C ATOM 1345 CH2 TRP A 83 11.483 0.369 -2.655 1.00 0.00 C ATOM 0 H TRP A 83 6.096 2.899 -0.440 1.00 0.00 H new ATOM 0 HA TRP A 83 4.996 4.037 -2.957 1.00 0.00 H new ATOM 0 HB2 TRP A 83 6.134 1.925 -4.005 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.115 3.342 -3.690 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.192 1.176 -0.684 1.00 0.00 H new ATOM 0 HE1 TRP A 83 8.289 -0.081 0.153 1.00 0.00 H new ATOM 0 HE3 TRP A 83 9.368 2.273 -4.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.980 -0.551 -0.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.685 1.399 -4.535 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.495 -0.008 -2.662 1.00 0.00 H new ATOM 1356 N PHE A 84 3.411 2.023 -3.226 1.00 0.00 N ATOM 1357 CA PHE A 84 2.346 0.981 -3.156 1.00 0.00 C ATOM 1358 C PHE A 84 2.508 0.082 -4.374 1.00 0.00 C ATOM 1359 O PHE A 84 2.457 0.537 -5.497 1.00 0.00 O ATOM 1360 CB PHE A 84 0.931 1.581 -3.181 1.00 0.00 C ATOM 1361 CG PHE A 84 0.928 3.062 -2.875 1.00 0.00 C ATOM 1362 CD1 PHE A 84 1.743 3.592 -1.869 1.00 0.00 C ATOM 1363 CD2 PHE A 84 0.076 3.903 -3.599 1.00 0.00 C ATOM 1364 CE1 PHE A 84 1.705 4.964 -1.589 1.00 0.00 C ATOM 1365 CE2 PHE A 84 0.039 5.272 -3.321 1.00 0.00 C ATOM 1366 CZ PHE A 84 0.852 5.804 -2.318 1.00 0.00 C ATOM 0 H PHE A 84 3.382 2.619 -4.053 1.00 0.00 H new ATOM 0 HA PHE A 84 2.455 0.439 -2.217 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.486 1.414 -4.162 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.306 1.061 -2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.401 2.944 -1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.554 3.493 -4.374 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.333 5.374 -0.812 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.619 5.919 -3.882 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.824 6.862 -2.104 1.00 0.00 H new ATOM 1376 N TRP A 85 2.716 -1.185 -4.174 1.00 0.00 N ATOM 1377 CA TRP A 85 2.897 -2.083 -5.341 1.00 0.00 C ATOM 1378 C TRP A 85 1.577 -2.762 -5.693 1.00 0.00 C ATOM 1379 O TRP A 85 1.206 -3.763 -5.112 1.00 0.00 O ATOM 1380 CB TRP A 85 3.948 -3.150 -5.014 1.00 0.00 C ATOM 1381 CG TRP A 85 5.223 -2.493 -4.584 1.00 0.00 C ATOM 1382 CD1 TRP A 85 5.344 -1.618 -3.557 1.00 0.00 C ATOM 1383 CD2 TRP A 85 6.558 -2.646 -5.149 1.00 0.00 C ATOM 1384 NE1 TRP A 85 6.667 -1.225 -3.459 1.00 0.00 N ATOM 1385 CE2 TRP A 85 7.454 -1.831 -4.417 1.00 0.00 C ATOM 1386 CE3 TRP A 85 7.074 -3.405 -6.215 1.00 0.00 C ATOM 1387 CZ2 TRP A 85 8.812 -1.770 -4.732 1.00 0.00 C ATOM 1388 CZ3 TRP A 85 8.441 -3.345 -6.534 1.00 0.00 C ATOM 1389 CH2 TRP A 85 9.308 -2.529 -5.793 1.00 0.00 C ATOM 0 H TRP A 85 2.768 -1.635 -3.260 1.00 0.00 H new ATOM 0 HA TRP A 85 3.231 -1.490 -6.192 1.00 0.00 H new ATOM 0 HB2 TRP A 85 3.581 -3.804 -4.223 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.128 -3.776 -5.888 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.540 -1.282 -2.919 1.00 0.00 H new ATOM 0 HE1 TRP A 85 7.018 -0.567 -2.763 1.00 0.00 H new ATOM 0 HE3 TRP A 85 6.415 -4.038 -6.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 9.475 -1.139 -4.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 8.827 -3.931 -7.355 1.00 0.00 H new ATOM 0 HH2 TRP A 85 10.358 -2.488 -6.043 1.00 0.00 H new ATOM 1400 N LEU A 86 0.875 -2.240 -6.661 1.00 0.00 N ATOM 1401 CA LEU A 86 -0.402 -2.876 -7.067 1.00 0.00 C ATOM 1402 C LEU A 86 -0.064 -4.209 -7.717 1.00 0.00 C ATOM 1403 O LEU A 86 0.165 -4.296 -8.908 1.00 0.00 O ATOM 1404 CB LEU A 86 -1.138 -1.976 -8.061 1.00 0.00 C ATOM 1405 CG LEU A 86 -2.500 -1.590 -7.481 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -2.327 -1.073 -6.049 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -3.131 -0.494 -8.344 1.00 0.00 C ATOM 0 H LEU A 86 1.132 -1.403 -7.185 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.049 -3.027 -6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.549 -1.081 -8.264 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.268 -2.494 -9.011 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.147 -2.467 -7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.300 -0.800 -5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.881 -1.853 -5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.677 -0.198 -6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.101 -0.219 -7.931 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.480 0.380 -8.355 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.261 -0.862 -9.362 1.00 0.00 H new ATOM 1419 N VAL A 87 0.007 -5.241 -6.933 1.00 0.00 N ATOM 1420 CA VAL A 87 0.373 -6.568 -7.485 1.00 0.00 C ATOM 1421 C VAL A 87 -0.643 -7.009 -8.540 1.00 0.00 C ATOM 1422 O VAL A 87 -1.651 -6.368 -8.761 1.00 0.00 O ATOM 1423 CB VAL A 87 0.438 -7.600 -6.350 1.00 0.00 C ATOM 1424 CG1 VAL A 87 0.879 -6.925 -5.050 1.00 0.00 C ATOM 1425 CG2 VAL A 87 -0.931 -8.261 -6.141 1.00 0.00 C ATOM 0 H VAL A 87 -0.173 -5.223 -5.929 1.00 0.00 H new ATOM 0 HA VAL A 87 1.351 -6.494 -7.960 1.00 0.00 H new ATOM 0 HB VAL A 87 1.163 -8.366 -6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.922 -7.666 -4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.865 -6.482 -5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.165 -6.146 -4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.864 -8.989 -5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.667 -7.500 -5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.236 -8.765 -7.058 1.00 0.00 H new ATOM 1435 N GLU A 88 -0.380 -8.113 -9.178 1.00 0.00 N ATOM 1436 CA GLU A 88 -1.328 -8.622 -10.215 1.00 0.00 C ATOM 1437 C GLU A 88 -2.243 -9.682 -9.591 1.00 0.00 C ATOM 1438 O GLU A 88 -3.410 -9.448 -9.361 1.00 0.00 O ATOM 1439 CB GLU A 88 -0.539 -9.239 -11.372 1.00 0.00 C ATOM 1440 CG GLU A 88 -0.302 -8.180 -12.451 1.00 0.00 C ATOM 1441 CD GLU A 88 -1.591 -7.958 -13.244 1.00 0.00 C ATOM 1442 OE1 GLU A 88 -1.961 -8.845 -13.996 1.00 0.00 O ATOM 1443 OE2 GLU A 88 -2.186 -6.905 -13.087 1.00 0.00 O ATOM 0 H GLU A 88 0.449 -8.688 -9.029 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.933 -7.797 -10.592 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.414 -9.625 -11.011 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.087 -10.083 -11.790 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.020 -7.245 -11.993 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.498 -8.500 -13.119 1.00 0.00 H new ATOM 1450 N ARG A 89 -1.720 -10.842 -9.311 1.00 0.00 N ATOM 1451 CA ARG A 89 -2.540 -11.916 -8.692 1.00 0.00 C ATOM 1452 C ARG A 89 -1.585 -12.899 -8.029 1.00 0.00 C ATOM 1453 O ARG A 89 -0.471 -13.066 -8.466 1.00 0.00 O ATOM 1454 CB ARG A 89 -3.363 -12.620 -9.765 1.00 0.00 C ATOM 1455 CG ARG A 89 -2.453 -13.022 -10.921 1.00 0.00 C ATOM 1456 CD ARG A 89 -2.805 -12.183 -12.151 1.00 0.00 C ATOM 1457 NE ARG A 89 -1.817 -12.445 -13.236 1.00 0.00 N ATOM 1458 CZ ARG A 89 -2.071 -12.061 -14.459 1.00 0.00 C ATOM 1459 NH1 ARG A 89 -3.152 -11.375 -14.722 1.00 0.00 N ATOM 1460 NH2 ARG A 89 -1.244 -12.363 -15.422 1.00 0.00 N ATOM 0 H ARG A 89 -0.747 -11.093 -9.487 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.228 -11.502 -7.955 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -3.848 -13.502 -9.346 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -4.154 -11.961 -10.123 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.409 -12.869 -10.648 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.573 -14.083 -11.142 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.810 -12.427 -12.494 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.805 -11.124 -11.893 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.942 -12.924 -13.024 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.801 -11.138 -13.971 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.347 -11.077 -15.678 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.400 -12.899 -15.220 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.442 -12.064 -16.377 1.00 0.00 H new ATOM 1474 N TRP A 90 -1.985 -13.530 -6.964 1.00 0.00 N ATOM 1475 CA TRP A 90 -1.045 -14.462 -6.288 1.00 0.00 C ATOM 1476 C TRP A 90 -1.746 -15.754 -5.879 1.00 0.00 C ATOM 1477 O TRP A 90 -2.880 -16.007 -6.232 1.00 0.00 O ATOM 1478 CB TRP A 90 -0.497 -13.804 -5.022 1.00 0.00 C ATOM 1479 CG TRP A 90 -1.642 -13.311 -4.199 1.00 0.00 C ATOM 1480 CD1 TRP A 90 -2.008 -13.826 -3.005 1.00 0.00 C ATOM 1481 CD2 TRP A 90 -2.584 -12.232 -4.486 1.00 0.00 C ATOM 1482 NE1 TRP A 90 -3.112 -13.139 -2.541 1.00 0.00 N ATOM 1483 CE2 TRP A 90 -3.504 -12.147 -3.414 1.00 0.00 C ATOM 1484 CE3 TRP A 90 -2.731 -11.326 -5.556 1.00 0.00 C ATOM 1485 CZ2 TRP A 90 -4.532 -11.204 -3.404 1.00 0.00 C ATOM 1486 CZ3 TRP A 90 -3.767 -10.378 -5.546 1.00 0.00 C ATOM 1487 CH2 TRP A 90 -4.665 -10.317 -4.473 1.00 0.00 C ATOM 0 H TRP A 90 -2.907 -13.444 -6.537 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.243 -14.692 -6.989 1.00 0.00 H new ATOM 0 HB2 TRP A 90 0.097 -14.519 -4.452 1.00 0.00 H new ATOM 0 HB3 TRP A 90 0.164 -12.977 -5.283 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.517 -14.642 -2.496 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -3.581 -13.341 -1.658 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.043 -11.361 -6.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.221 -11.161 -2.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -3.872 -9.691 -6.372 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -5.459 -9.585 -4.473 1.00 0.00 H new ATOM 1498 N GLU A 91 -1.058 -16.569 -5.125 1.00 0.00 N ATOM 1499 CA GLU A 91 -1.636 -17.846 -4.662 1.00 0.00 C ATOM 1500 C GLU A 91 -1.463 -17.962 -3.142 1.00 0.00 C ATOM 1501 O GLU A 91 -2.290 -18.527 -2.455 1.00 0.00 O ATOM 1502 CB GLU A 91 -0.888 -18.983 -5.341 1.00 0.00 C ATOM 1503 CG GLU A 91 -1.775 -20.216 -5.361 1.00 0.00 C ATOM 1504 CD GLU A 91 -0.966 -21.423 -5.837 1.00 0.00 C ATOM 1505 OE1 GLU A 91 0.070 -21.684 -5.251 1.00 0.00 O ATOM 1506 OE2 GLU A 91 -1.397 -22.064 -6.782 1.00 0.00 O ATOM 0 H GLU A 91 -0.104 -16.393 -4.810 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.697 -17.891 -4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.614 -18.700 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 91 0.039 -19.195 -4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.176 -20.404 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.627 -20.053 -6.022 1.00 0.00 H new ATOM 1513 N GLY A 92 -0.386 -17.436 -2.615 1.00 0.00 N ATOM 1514 CA GLY A 92 -0.149 -17.522 -1.144 1.00 0.00 C ATOM 1515 C GLY A 92 -1.132 -16.617 -0.397 1.00 0.00 C ATOM 1516 O GLY A 92 -2.316 -16.608 -0.672 1.00 0.00 O ATOM 0 H GLY A 92 0.340 -16.950 -3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.266 -18.553 -0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.875 -17.226 -0.915 1.00 0.00 H new ATOM 1520 N GLU A 93 -0.653 -15.865 0.560 1.00 0.00 N ATOM 1521 CA GLU A 93 -1.562 -14.973 1.333 1.00 0.00 C ATOM 1522 C GLU A 93 -1.099 -13.511 1.212 1.00 0.00 C ATOM 1523 O GLU A 93 0.068 -13.221 1.382 1.00 0.00 O ATOM 1524 CB GLU A 93 -1.538 -15.390 2.806 1.00 0.00 C ATOM 1525 CG GLU A 93 -2.945 -15.797 3.248 1.00 0.00 C ATOM 1526 CD GLU A 93 -3.041 -15.729 4.773 1.00 0.00 C ATOM 1527 OE1 GLU A 93 -2.155 -16.255 5.427 1.00 0.00 O ATOM 1528 OE2 GLU A 93 -3.997 -15.151 5.262 1.00 0.00 O ATOM 0 H GLU A 93 0.328 -15.831 0.838 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.573 -15.059 0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.847 -16.221 2.948 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -1.177 -14.566 3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.685 -15.136 2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.168 -16.807 2.904 1.00 0.00 H new ATOM 1535 N PRO A 94 -2.032 -12.631 0.926 1.00 0.00 N ATOM 1536 CA PRO A 94 -1.748 -11.188 0.784 1.00 0.00 C ATOM 1537 C PRO A 94 -1.455 -10.579 2.158 1.00 0.00 C ATOM 1538 O PRO A 94 -2.270 -10.639 3.057 1.00 0.00 O ATOM 1539 CB PRO A 94 -3.036 -10.598 0.198 1.00 0.00 C ATOM 1540 CG PRO A 94 -4.091 -11.732 0.154 1.00 0.00 C ATOM 1541 CD PRO A 94 -3.438 -13.002 0.711 1.00 0.00 C ATOM 0 HA PRO A 94 -0.881 -10.988 0.154 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -3.390 -9.768 0.810 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.856 -10.203 -0.802 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -4.967 -11.462 0.745 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -4.434 -11.895 -0.868 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.912 -13.316 1.641 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.526 -13.833 0.011 1.00 0.00 H new ATOM 1549 N TRP A 95 -0.285 -10.031 2.346 1.00 0.00 N ATOM 1550 CA TRP A 95 0.058 -9.470 3.682 1.00 0.00 C ATOM 1551 C TRP A 95 0.526 -8.012 3.615 1.00 0.00 C ATOM 1552 O TRP A 95 1.435 -7.615 4.316 1.00 0.00 O ATOM 1553 CB TRP A 95 1.161 -10.333 4.254 1.00 0.00 C ATOM 1554 CG TRP A 95 2.530 -9.903 3.779 1.00 0.00 C ATOM 1555 CD1 TRP A 95 3.660 -10.271 4.407 1.00 0.00 C ATOM 1556 CD2 TRP A 95 2.960 -9.070 2.632 1.00 0.00 C ATOM 1557 NE1 TRP A 95 4.744 -9.737 3.753 1.00 0.00 N ATOM 1558 CE2 TRP A 95 4.376 -8.980 2.667 1.00 0.00 C ATOM 1559 CE3 TRP A 95 2.297 -8.384 1.584 1.00 0.00 C ATOM 1560 CZ2 TRP A 95 5.097 -8.249 1.722 1.00 0.00 C ATOM 1561 CZ3 TRP A 95 3.030 -7.649 0.632 1.00 0.00 C ATOM 1562 CH2 TRP A 95 4.424 -7.578 0.705 1.00 0.00 C ATOM 0 H TRP A 95 0.443 -9.948 1.637 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.835 -9.474 4.307 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.126 -10.289 5.343 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.990 -11.372 3.971 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.708 -10.891 5.290 1.00 0.00 H new ATOM 0 HE1 TRP A 95 5.711 -9.886 4.041 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.220 -8.425 1.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.175 -8.204 1.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 2.510 -7.135 -0.163 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.977 -7.005 -0.025 1.00 0.00 H new ATOM 1573 N GLY A 96 -0.070 -7.216 2.782 1.00 0.00 N ATOM 1574 CA GLY A 96 0.366 -5.789 2.681 1.00 0.00 C ATOM 1575 C GLY A 96 0.442 -5.171 4.076 1.00 0.00 C ATOM 1576 O GLY A 96 1.097 -4.170 4.290 1.00 0.00 O ATOM 0 H GLY A 96 -0.838 -7.483 2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.339 -5.730 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.335 -5.228 2.062 1.00 0.00 H new ATOM 1580 N LYS A 97 -0.230 -5.756 5.022 1.00 0.00 N ATOM 1581 CA LYS A 97 -0.215 -5.214 6.403 1.00 0.00 C ATOM 1582 C LYS A 97 0.595 -6.139 7.318 1.00 0.00 C ATOM 1583 O LYS A 97 1.232 -7.072 6.870 1.00 0.00 O ATOM 1584 CB LYS A 97 -1.652 -5.139 6.901 1.00 0.00 C ATOM 1585 CG LYS A 97 -2.145 -3.698 6.809 1.00 0.00 C ATOM 1586 CD LYS A 97 -2.206 -3.274 5.339 1.00 0.00 C ATOM 1587 CE LYS A 97 -3.266 -4.102 4.615 1.00 0.00 C ATOM 1588 NZ LYS A 97 -2.717 -4.591 3.319 1.00 0.00 N ATOM 0 H LYS A 97 -0.795 -6.596 4.896 1.00 0.00 H new ATOM 0 HA LYS A 97 0.243 -4.225 6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.290 -5.792 6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.710 -5.490 7.931 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.131 -3.609 7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.477 -3.038 7.362 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.444 -2.213 5.265 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.233 -3.416 4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.569 -4.946 5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.157 -3.499 4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.416 -4.435 2.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.844 -4.073 3.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.508 -5.607 3.392 1.00 0.00 H new ATOM 1602 N GLU A 98 0.567 -5.886 8.598 1.00 0.00 N ATOM 1603 CA GLU A 98 1.326 -6.744 9.552 1.00 0.00 C ATOM 1604 C GLU A 98 0.497 -6.931 10.823 1.00 0.00 C ATOM 1605 O GLU A 98 0.425 -8.009 11.380 1.00 0.00 O ATOM 1606 CB GLU A 98 2.653 -6.069 9.900 1.00 0.00 C ATOM 1607 CG GLU A 98 3.395 -6.903 10.948 1.00 0.00 C ATOM 1608 CD GLU A 98 3.597 -6.070 12.215 1.00 0.00 C ATOM 1609 OE1 GLU A 98 4.024 -4.934 12.091 1.00 0.00 O ATOM 1610 OE2 GLU A 98 3.318 -6.581 13.287 1.00 0.00 O ATOM 0 H GLU A 98 0.049 -5.119 9.026 1.00 0.00 H new ATOM 0 HA GLU A 98 1.525 -7.715 9.098 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.265 -5.964 9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.472 -5.064 10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.827 -7.804 11.179 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.359 -7.226 10.555 1.00 0.00 H new ATOM 1617 N GLY A 99 -0.137 -5.886 11.279 1.00 0.00 N ATOM 1618 CA GLY A 99 -0.973 -5.988 12.509 1.00 0.00 C ATOM 1619 C GLY A 99 -2.114 -4.976 12.418 1.00 0.00 C ATOM 1620 O GLY A 99 -2.664 -4.550 13.415 1.00 0.00 O ATOM 0 H GLY A 99 -0.112 -4.961 10.850 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.372 -6.997 12.611 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.367 -5.794 13.394 1.00 0.00 H new ATOM 1624 N GLN A 100 -2.471 -4.586 11.225 1.00 0.00 N ATOM 1625 CA GLN A 100 -3.571 -3.599 11.058 1.00 0.00 C ATOM 1626 C GLN A 100 -4.850 -4.322 10.623 1.00 0.00 C ATOM 1627 O GLN A 100 -4.824 -5.500 10.327 1.00 0.00 O ATOM 1628 CB GLN A 100 -3.178 -2.582 9.988 1.00 0.00 C ATOM 1629 CG GLN A 100 -2.986 -1.208 10.631 1.00 0.00 C ATOM 1630 CD GLN A 100 -1.584 -0.687 10.312 1.00 0.00 C ATOM 1631 OE1 GLN A 100 -0.682 -1.457 10.051 1.00 0.00 O ATOM 1632 NE2 GLN A 100 -1.362 0.599 10.323 1.00 0.00 N ATOM 0 H GLN A 100 -2.046 -4.911 10.357 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.747 -3.089 12.005 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -2.258 -2.895 9.495 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -3.950 -2.531 9.220 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.738 -0.512 10.258 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.123 -1.277 11.710 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.120 1.246 10.542 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -0.431 0.958 10.112 1.00 0.00 H new ATOM 1641 N PRO A 101 -5.933 -3.585 10.599 1.00 0.00 N ATOM 1642 CA PRO A 101 -7.249 -4.121 10.202 1.00 0.00 C ATOM 1643 C PRO A 101 -7.304 -4.416 8.695 1.00 0.00 C ATOM 1644 O PRO A 101 -8.346 -4.755 8.170 1.00 0.00 O ATOM 1645 CB PRO A 101 -8.241 -3.002 10.545 1.00 0.00 C ATOM 1646 CG PRO A 101 -7.419 -1.757 10.967 1.00 0.00 C ATOM 1647 CD PRO A 101 -5.937 -2.160 10.982 1.00 0.00 C ATOM 0 HA PRO A 101 -7.467 -5.060 10.711 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.870 -2.772 9.685 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.905 -3.313 11.351 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.585 -0.935 10.271 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.731 -1.408 11.952 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.356 -1.560 10.281 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -5.497 -2.014 11.968 1.00 0.00 H new ATOM 1655 N GLY A 102 -6.206 -4.278 7.991 1.00 0.00 N ATOM 1656 CA GLY A 102 -6.222 -4.543 6.519 1.00 0.00 C ATOM 1657 C GLY A 102 -7.087 -5.758 6.216 1.00 0.00 C ATOM 1658 O GLY A 102 -7.176 -6.686 6.994 1.00 0.00 O ATOM 0 H GLY A 102 -5.303 -3.994 8.371 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.607 -3.672 5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.206 -4.711 6.161 1.00 0.00 H new ATOM 1662 N GLU A 103 -7.735 -5.749 5.089 1.00 0.00 N ATOM 1663 CA GLU A 103 -8.613 -6.902 4.733 1.00 0.00 C ATOM 1664 C GLU A 103 -8.897 -6.913 3.229 1.00 0.00 C ATOM 1665 O GLU A 103 -8.319 -6.159 2.470 1.00 0.00 O ATOM 1666 CB GLU A 103 -9.934 -6.790 5.496 1.00 0.00 C ATOM 1667 CG GLU A 103 -10.733 -5.601 4.959 1.00 0.00 C ATOM 1668 CD GLU A 103 -11.739 -5.142 6.016 1.00 0.00 C ATOM 1669 OE1 GLU A 103 -11.406 -5.201 7.187 1.00 0.00 O ATOM 1670 OE2 GLU A 103 -12.826 -4.739 5.636 1.00 0.00 O ATOM 0 H GLU A 103 -7.698 -4.999 4.399 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.105 -7.827 5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.510 -7.709 5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.741 -6.661 6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.060 -4.783 4.703 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.254 -5.883 4.044 1.00 0.00 H new ATOM 1677 N TRP A 104 -9.789 -7.765 2.799 1.00 0.00 N ATOM 1678 CA TRP A 104 -10.123 -7.838 1.350 1.00 0.00 C ATOM 1679 C TRP A 104 -11.345 -6.962 1.055 1.00 0.00 C ATOM 1680 O TRP A 104 -12.470 -7.354 1.290 1.00 0.00 O ATOM 1681 CB TRP A 104 -10.445 -9.285 0.972 1.00 0.00 C ATOM 1682 CG TRP A 104 -9.371 -10.191 1.482 1.00 0.00 C ATOM 1683 CD1 TRP A 104 -8.180 -9.785 1.978 1.00 0.00 C ATOM 1684 CD2 TRP A 104 -9.369 -11.645 1.553 1.00 0.00 C ATOM 1685 NE1 TRP A 104 -7.448 -10.898 2.349 1.00 0.00 N ATOM 1686 CE2 TRP A 104 -8.138 -12.069 2.106 1.00 0.00 C ATOM 1687 CE3 TRP A 104 -10.309 -12.629 1.194 1.00 0.00 C ATOM 1688 CZ2 TRP A 104 -7.849 -13.421 2.296 1.00 0.00 C ATOM 1689 CZ3 TRP A 104 -10.021 -13.989 1.384 1.00 0.00 C ATOM 1690 CH2 TRP A 104 -8.794 -14.384 1.934 1.00 0.00 C ATOM 0 H TRP A 104 -10.302 -8.416 3.393 1.00 0.00 H new ATOM 0 HA TRP A 104 -9.271 -7.484 0.770 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -11.408 -9.575 1.392 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -10.529 -9.378 -0.111 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.854 -8.759 2.069 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -6.512 -10.859 2.753 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -11.258 -12.335 0.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -6.902 -13.721 2.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -10.749 -14.736 1.105 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -8.579 -15.433 2.078 1.00 0.00 H new ATOM 1701 N MET A 105 -11.136 -5.785 0.532 1.00 0.00 N ATOM 1702 CA MET A 105 -12.285 -4.899 0.215 1.00 0.00 C ATOM 1703 C MET A 105 -12.835 -5.274 -1.163 1.00 0.00 C ATOM 1704 O MET A 105 -12.553 -6.334 -1.684 1.00 0.00 O ATOM 1705 CB MET A 105 -11.816 -3.444 0.198 1.00 0.00 C ATOM 1706 CG MET A 105 -12.414 -2.698 1.391 1.00 0.00 C ATOM 1707 SD MET A 105 -11.776 -3.408 2.929 1.00 0.00 S ATOM 1708 CE MET A 105 -10.103 -2.728 2.813 1.00 0.00 C ATOM 0 H MET A 105 -10.217 -5.401 0.311 1.00 0.00 H new ATOM 0 HA MET A 105 -13.063 -5.018 0.969 1.00 0.00 H new ATOM 0 HB2 MET A 105 -10.728 -3.402 0.238 1.00 0.00 H new ATOM 0 HB3 MET A 105 -12.119 -2.965 -0.733 1.00 0.00 H new ATOM 0 HG2 MET A 105 -12.162 -1.639 1.335 1.00 0.00 H new ATOM 0 HG3 MET A 105 -13.502 -2.768 1.369 1.00 0.00 H new ATOM 0 HE1 MET A 105 -9.835 -2.258 3.759 1.00 0.00 H new ATOM 0 HE2 MET A 105 -9.398 -3.530 2.594 1.00 0.00 H new ATOM 0 HE3 MET A 105 -10.066 -1.986 2.016 1.00 0.00 H new ATOM 1718 N SER A 106 -13.611 -4.413 -1.757 1.00 0.00 N ATOM 1719 CA SER A 106 -14.172 -4.725 -3.100 1.00 0.00 C ATOM 1720 C SER A 106 -14.180 -3.457 -3.953 1.00 0.00 C ATOM 1721 O SER A 106 -15.019 -2.592 -3.788 1.00 0.00 O ATOM 1722 CB SER A 106 -15.599 -5.249 -2.947 1.00 0.00 C ATOM 1723 OG SER A 106 -15.881 -6.160 -4.002 1.00 0.00 O ATOM 0 H SER A 106 -13.881 -3.508 -1.372 1.00 0.00 H new ATOM 0 HA SER A 106 -13.559 -5.485 -3.585 1.00 0.00 H new ATOM 0 HB2 SER A 106 -15.715 -5.744 -1.983 1.00 0.00 H new ATOM 0 HB3 SER A 106 -16.307 -4.421 -2.968 1.00 0.00 H new ATOM 0 HG SER A 106 -16.795 -6.499 -3.906 1.00 0.00 H new ATOM 1729 N LEU A 107 -13.256 -3.337 -4.865 1.00 0.00 N ATOM 1730 CA LEU A 107 -13.218 -2.120 -5.725 1.00 0.00 C ATOM 1731 C LEU A 107 -12.883 -2.520 -7.162 1.00 0.00 C ATOM 1732 O LEU A 107 -13.751 -2.595 -8.007 1.00 0.00 O ATOM 1733 CB LEU A 107 -12.155 -1.154 -5.196 1.00 0.00 C ATOM 1734 CG LEU A 107 -12.706 -0.422 -3.972 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -11.547 0.096 -3.119 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -13.567 0.757 -4.430 1.00 0.00 C ATOM 0 H LEU A 107 -12.528 -4.026 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 107 -14.191 -1.630 -5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -11.250 -1.700 -4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -11.880 -0.437 -5.970 1.00 0.00 H new ATOM 0 HG LEU A 107 -13.311 -1.109 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.942 0.617 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -10.932 -0.743 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.940 0.783 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -13.961 1.280 -3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -12.960 1.443 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -14.394 0.389 -5.037 1.00 0.00 H new ATOM 1748 N VAL A 108 -11.636 -2.781 -7.445 1.00 0.00 N ATOM 1749 CA VAL A 108 -11.245 -3.182 -8.824 1.00 0.00 C ATOM 1750 C VAL A 108 -11.446 -1.991 -9.759 1.00 0.00 C ATOM 1751 O VAL A 108 -11.643 -2.133 -10.949 1.00 0.00 O ATOM 1752 CB VAL A 108 -12.101 -4.388 -9.229 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -13.249 -3.989 -10.173 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -11.218 -5.425 -9.924 1.00 0.00 C ATOM 0 H VAL A 108 -10.868 -2.733 -6.776 1.00 0.00 H new ATOM 0 HA VAL A 108 -10.196 -3.471 -8.879 1.00 0.00 H new ATOM 0 HB VAL A 108 -12.541 -4.803 -8.322 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -13.829 -4.874 -10.434 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.895 -3.265 -9.675 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -12.837 -3.545 -11.079 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -11.824 -6.284 -10.213 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -10.768 -4.983 -10.813 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -10.432 -5.749 -9.242 1.00 0.00 H new ATOM 1764 N GLY A 109 -11.398 -0.820 -9.204 1.00 0.00 N ATOM 1765 CA GLY A 109 -11.583 0.420 -9.999 1.00 0.00 C ATOM 1766 C GLY A 109 -11.506 1.590 -9.031 1.00 0.00 C ATOM 1767 O GLY A 109 -12.316 2.495 -9.061 1.00 0.00 O ATOM 0 H GLY A 109 -11.235 -0.665 -8.209 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.813 0.504 -10.766 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.544 0.408 -10.512 1.00 0.00 H new ATOM 1771 N LEU A 110 -10.539 1.551 -8.150 1.00 0.00 N ATOM 1772 CA LEU A 110 -10.378 2.623 -7.139 1.00 0.00 C ATOM 1773 C LEU A 110 -10.739 3.977 -7.754 1.00 0.00 C ATOM 1774 O LEU A 110 -10.636 4.170 -8.949 1.00 0.00 O ATOM 1775 CB LEU A 110 -8.923 2.643 -6.675 1.00 0.00 C ATOM 1776 CG LEU A 110 -8.848 2.326 -5.179 1.00 0.00 C ATOM 1777 CD1 LEU A 110 -7.388 2.350 -4.727 1.00 0.00 C ATOM 1778 CD2 LEU A 110 -9.640 3.371 -4.391 1.00 0.00 C ATOM 0 H LEU A 110 -9.845 0.805 -8.093 1.00 0.00 H new ATOM 0 HA LEU A 110 -11.038 2.433 -6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.342 1.914 -7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.483 3.621 -6.871 1.00 0.00 H new ATOM 0 HG LEU A 110 -9.272 1.338 -4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.333 2.124 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.822 1.604 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.966 3.338 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.585 3.143 -3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.219 4.360 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -10.682 3.356 -4.712 1.00 0.00 H new ATOM 1790 N ASN A 111 -11.161 4.916 -6.953 1.00 0.00 N ATOM 1791 CA ASN A 111 -11.523 6.250 -7.508 1.00 0.00 C ATOM 1792 C ASN A 111 -10.924 7.351 -6.633 1.00 0.00 C ATOM 1793 O ASN A 111 -11.223 8.517 -6.795 1.00 0.00 O ATOM 1794 CB ASN A 111 -13.045 6.397 -7.544 1.00 0.00 C ATOM 1795 CG ASN A 111 -13.466 6.991 -8.888 1.00 0.00 C ATOM 1796 OD1 ASN A 111 -13.718 8.176 -8.990 1.00 0.00 O ATOM 1797 ND2 ASN A 111 -13.551 6.215 -9.934 1.00 0.00 N ATOM 0 H ASN A 111 -11.270 4.818 -5.944 1.00 0.00 H new ATOM 0 HA ASN A 111 -11.127 6.337 -8.520 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -13.519 5.426 -7.399 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -13.379 7.040 -6.729 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -13.829 6.603 -10.836 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -13.340 5.221 -9.850 1.00 0.00 H new ATOM 1804 N ALA A 112 -10.082 6.995 -5.702 1.00 0.00 N ATOM 1805 CA ALA A 112 -9.462 8.027 -4.820 1.00 0.00 C ATOM 1806 C ALA A 112 -10.488 8.549 -3.799 1.00 0.00 C ATOM 1807 O ALA A 112 -10.142 9.262 -2.878 1.00 0.00 O ATOM 1808 CB ALA A 112 -8.970 9.191 -5.680 1.00 0.00 C ATOM 0 H ALA A 112 -9.796 6.034 -5.513 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.627 7.578 -4.282 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.516 9.949 -5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.231 8.828 -6.395 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -9.812 9.627 -6.218 1.00 0.00 H new ATOM 1814 N ASP A 113 -11.744 8.208 -3.949 1.00 0.00 N ATOM 1815 CA ASP A 113 -12.771 8.691 -2.990 1.00 0.00 C ATOM 1816 C ASP A 113 -12.637 7.917 -1.684 1.00 0.00 C ATOM 1817 O ASP A 113 -12.709 8.474 -0.607 1.00 0.00 O ATOM 1818 CB ASP A 113 -14.160 8.458 -3.577 1.00 0.00 C ATOM 1819 CG ASP A 113 -15.146 9.461 -2.976 1.00 0.00 C ATOM 1820 OD1 ASP A 113 -14.710 10.538 -2.601 1.00 0.00 O ATOM 1821 OD2 ASP A 113 -16.319 9.137 -2.901 1.00 0.00 O ATOM 0 H ASP A 113 -12.098 7.614 -4.699 1.00 0.00 H new ATOM 0 HA ASP A 113 -12.629 9.755 -2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.131 8.567 -4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -14.488 7.440 -3.368 1.00 0.00 H new ATOM 1826 N ASP A 114 -12.428 6.634 -1.772 1.00 0.00 N ATOM 1827 CA ASP A 114 -12.273 5.823 -0.548 1.00 0.00 C ATOM 1828 C ASP A 114 -10.856 6.021 -0.011 1.00 0.00 C ATOM 1829 O ASP A 114 -10.475 5.453 0.992 1.00 0.00 O ATOM 1830 CB ASP A 114 -12.492 4.350 -0.890 1.00 0.00 C ATOM 1831 CG ASP A 114 -11.824 4.017 -2.226 1.00 0.00 C ATOM 1832 OD1 ASP A 114 -10.883 4.707 -2.583 1.00 0.00 O ATOM 1833 OD2 ASP A 114 -12.263 3.077 -2.868 1.00 0.00 O ATOM 0 H ASP A 114 -12.358 6.115 -2.647 1.00 0.00 H new ATOM 0 HA ASP A 114 -13.001 6.129 0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -12.080 3.720 -0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -13.559 4.136 -0.944 1.00 0.00 H new ATOM 1838 N PHE A 115 -10.073 6.833 -0.675 1.00 0.00 N ATOM 1839 CA PHE A 115 -8.685 7.080 -0.207 1.00 0.00 C ATOM 1840 C PHE A 115 -8.515 8.574 0.090 1.00 0.00 C ATOM 1841 O PHE A 115 -8.425 9.375 -0.820 1.00 0.00 O ATOM 1842 CB PHE A 115 -7.695 6.667 -1.298 1.00 0.00 C ATOM 1843 CG PHE A 115 -7.304 5.223 -1.098 1.00 0.00 C ATOM 1844 CD1 PHE A 115 -6.264 4.891 -0.222 1.00 0.00 C ATOM 1845 CD2 PHE A 115 -7.982 4.215 -1.791 1.00 0.00 C ATOM 1846 CE1 PHE A 115 -5.907 3.551 -0.041 1.00 0.00 C ATOM 1847 CE2 PHE A 115 -7.624 2.876 -1.610 1.00 0.00 C ATOM 1848 CZ PHE A 115 -6.585 2.543 -0.735 1.00 0.00 C ATOM 0 H PHE A 115 -10.340 7.334 -1.522 1.00 0.00 H new ATOM 0 HA PHE A 115 -8.494 6.498 0.695 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -8.144 6.801 -2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -6.811 7.303 -1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -5.738 5.668 0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -8.784 4.472 -2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -5.106 3.294 0.636 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -8.149 2.099 -2.145 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.306 1.509 -0.595 1.00 0.00 H new ATOM 1858 N PRO A 116 -8.466 8.908 1.353 1.00 0.00 N ATOM 1859 CA PRO A 116 -8.298 10.299 1.790 1.00 0.00 C ATOM 1860 C PRO A 116 -7.284 11.031 0.896 1.00 0.00 C ATOM 1861 O PRO A 116 -6.416 10.415 0.311 1.00 0.00 O ATOM 1862 CB PRO A 116 -7.811 10.163 3.237 1.00 0.00 C ATOM 1863 CG PRO A 116 -8.184 8.738 3.708 1.00 0.00 C ATOM 1864 CD PRO A 116 -8.563 7.935 2.455 1.00 0.00 C ATOM 0 HA PRO A 116 -9.210 10.891 1.722 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.734 10.320 3.298 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.279 10.914 3.873 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.346 8.272 4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -9.016 8.770 4.412 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.887 7.094 2.303 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.570 7.525 2.535 1.00 0.00 H new ATOM 1872 N PRO A 117 -7.451 12.329 0.800 1.00 0.00 N ATOM 1873 CA PRO A 117 -6.588 13.183 -0.042 1.00 0.00 C ATOM 1874 C PRO A 117 -5.112 13.029 0.336 1.00 0.00 C ATOM 1875 O PRO A 117 -4.716 12.060 0.950 1.00 0.00 O ATOM 1876 CB PRO A 117 -7.072 14.615 0.230 1.00 0.00 C ATOM 1877 CG PRO A 117 -8.287 14.530 1.190 1.00 0.00 C ATOM 1878 CD PRO A 117 -8.509 13.048 1.531 1.00 0.00 C ATOM 0 HA PRO A 117 -6.657 12.914 -1.096 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -6.274 15.210 0.675 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.354 15.106 -0.701 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -8.100 15.107 2.096 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.176 14.952 0.721 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.436 12.874 2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -9.500 12.715 1.221 1.00 0.00 H new ATOM 1886 N ALA A 118 -4.298 13.984 -0.045 1.00 0.00 N ATOM 1887 CA ALA A 118 -2.838 13.918 0.269 1.00 0.00 C ATOM 1888 C ALA A 118 -2.125 13.050 -0.773 1.00 0.00 C ATOM 1889 O ALA A 118 -1.052 13.380 -1.239 1.00 0.00 O ATOM 1890 CB ALA A 118 -2.630 13.324 1.665 1.00 0.00 C ATOM 0 H ALA A 118 -4.587 14.813 -0.565 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.422 14.925 0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.564 13.279 1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -3.128 13.951 2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -3.050 12.319 1.699 1.00 0.00 H new ATOM 1896 N ASN A 119 -2.706 11.940 -1.139 1.00 0.00 N ATOM 1897 CA ASN A 119 -2.077 11.051 -2.134 1.00 0.00 C ATOM 1898 C ASN A 119 -2.689 11.317 -3.510 1.00 0.00 C ATOM 1899 O ASN A 119 -2.842 10.430 -4.315 1.00 0.00 O ATOM 1900 CB ASN A 119 -2.352 9.616 -1.713 1.00 0.00 C ATOM 1901 CG ASN A 119 -1.509 9.283 -0.484 1.00 0.00 C ATOM 1902 OD1 ASN A 119 -1.427 10.066 0.441 1.00 0.00 O ATOM 1903 ND2 ASN A 119 -0.871 8.149 -0.432 1.00 0.00 N ATOM 0 H ASN A 119 -3.603 11.614 -0.780 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.003 11.229 -2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -3.411 9.487 -1.488 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.113 8.933 -2.528 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -0.304 7.920 0.384 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -0.938 7.490 -1.208 1.00 0.00 H new ATOM 1910 N GLU A 120 -3.048 12.537 -3.772 1.00 0.00 N ATOM 1911 CA GLU A 120 -3.664 12.886 -5.085 1.00 0.00 C ATOM 1912 C GLU A 120 -2.710 12.632 -6.279 1.00 0.00 C ATOM 1913 O GLU A 120 -3.163 12.213 -7.326 1.00 0.00 O ATOM 1914 CB GLU A 120 -4.057 14.363 -5.067 1.00 0.00 C ATOM 1915 CG GLU A 120 -5.377 14.530 -4.312 1.00 0.00 C ATOM 1916 CD GLU A 120 -6.323 15.413 -5.126 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -5.864 16.012 -6.084 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -7.491 15.474 -4.778 1.00 0.00 O ATOM 0 H GLU A 120 -2.941 13.320 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.535 12.245 -5.222 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.275 14.953 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.159 14.736 -6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.833 13.556 -4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.195 14.978 -3.335 1.00 0.00 H new ATOM 1925 N PRO A 121 -1.435 12.920 -6.120 1.00 0.00 N ATOM 1926 CA PRO A 121 -0.455 12.750 -7.216 1.00 0.00 C ATOM 1927 C PRO A 121 -0.392 11.300 -7.723 1.00 0.00 C ATOM 1928 O PRO A 121 -0.318 11.068 -8.914 1.00 0.00 O ATOM 1929 CB PRO A 121 0.890 13.174 -6.614 1.00 0.00 C ATOM 1930 CG PRO A 121 0.618 13.693 -5.181 1.00 0.00 C ATOM 1931 CD PRO A 121 -0.862 13.430 -4.865 1.00 0.00 C ATOM 0 HA PRO A 121 -0.732 13.347 -8.085 1.00 0.00 H new ATOM 0 HB2 PRO A 121 1.582 12.332 -6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 121 1.353 13.951 -7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 121 1.259 13.184 -4.461 1.00 0.00 H new ATOM 0 HG3 PRO A 121 0.841 14.758 -5.110 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -0.970 12.705 -4.058 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -1.365 14.342 -4.544 1.00 0.00 H new ATOM 1939 N VAL A 122 -0.414 10.321 -6.858 1.00 0.00 N ATOM 1940 CA VAL A 122 -0.348 8.921 -7.345 1.00 0.00 C ATOM 1941 C VAL A 122 -1.776 8.365 -7.407 1.00 0.00 C ATOM 1942 O VAL A 122 -2.190 7.796 -8.393 1.00 0.00 O ATOM 1943 CB VAL A 122 0.555 8.115 -6.394 1.00 0.00 C ATOM 1944 CG1 VAL A 122 -0.120 6.817 -5.966 1.00 0.00 C ATOM 1945 CG2 VAL A 122 1.868 7.789 -7.109 1.00 0.00 C ATOM 0 H VAL A 122 -0.474 10.432 -5.846 1.00 0.00 H new ATOM 0 HA VAL A 122 0.081 8.858 -8.345 1.00 0.00 H new ATOM 0 HB VAL A 122 0.745 8.714 -5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.540 6.268 -5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.053 7.045 -5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.330 6.209 -6.846 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.514 7.218 -6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.659 7.201 -8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.368 8.715 -7.392 1.00 0.00 H new ATOM 1955 N ILE A 123 -2.531 8.548 -6.364 1.00 0.00 N ATOM 1956 CA ILE A 123 -3.939 8.070 -6.365 1.00 0.00 C ATOM 1957 C ILE A 123 -4.608 8.510 -7.668 1.00 0.00 C ATOM 1958 O ILE A 123 -5.447 7.821 -8.215 1.00 0.00 O ATOM 1959 CB ILE A 123 -4.671 8.709 -5.191 1.00 0.00 C ATOM 1960 CG1 ILE A 123 -4.045 8.222 -3.880 1.00 0.00 C ATOM 1961 CG2 ILE A 123 -6.149 8.328 -5.246 1.00 0.00 C ATOM 1962 CD1 ILE A 123 -4.603 6.843 -3.517 1.00 0.00 C ATOM 0 H ILE A 123 -2.232 9.011 -5.506 1.00 0.00 H new ATOM 0 HA ILE A 123 -3.970 6.984 -6.280 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.584 9.794 -5.245 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.961 8.170 -3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.257 8.932 -3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -6.674 8.784 -4.407 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -6.582 8.683 -6.181 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -6.248 7.244 -5.189 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -4.154 6.503 -2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.684 6.908 -3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -4.369 6.135 -4.312 1.00 0.00 H new ATOM 1974 N ALA A 124 -4.240 9.660 -8.165 1.00 0.00 N ATOM 1975 CA ALA A 124 -4.851 10.163 -9.429 1.00 0.00 C ATOM 1976 C ALA A 124 -4.698 9.108 -10.529 1.00 0.00 C ATOM 1977 O ALA A 124 -5.621 8.821 -11.265 1.00 0.00 O ATOM 1978 CB ALA A 124 -4.146 11.451 -9.853 1.00 0.00 C ATOM 0 H ALA A 124 -3.540 10.275 -7.749 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.910 10.363 -9.268 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.590 11.822 -10.777 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.257 12.201 -9.070 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.087 11.250 -10.015 1.00 0.00 H new ATOM 1984 N LYS A 125 -3.535 8.534 -10.649 1.00 0.00 N ATOM 1985 CA LYS A 125 -3.309 7.503 -11.698 1.00 0.00 C ATOM 1986 C LYS A 125 -4.257 6.321 -11.478 1.00 0.00 C ATOM 1987 O LYS A 125 -4.956 5.898 -12.377 1.00 0.00 O ATOM 1988 CB LYS A 125 -1.863 7.010 -11.623 1.00 0.00 C ATOM 1989 CG LYS A 125 -1.080 7.531 -12.830 1.00 0.00 C ATOM 1990 CD LYS A 125 0.342 6.969 -12.796 1.00 0.00 C ATOM 1991 CE LYS A 125 0.573 6.087 -14.023 1.00 0.00 C ATOM 1992 NZ LYS A 125 1.000 4.728 -13.584 1.00 0.00 N ATOM 0 H LYS A 125 -2.726 8.736 -10.062 1.00 0.00 H new ATOM 0 HA LYS A 125 -3.499 7.941 -12.678 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.398 7.354 -10.699 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -1.840 5.920 -11.605 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.577 7.236 -13.754 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.052 8.621 -12.816 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.066 7.784 -12.780 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.493 6.390 -11.885 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -0.341 6.020 -14.613 1.00 0.00 H new ATOM 0 HE3 LYS A 125 1.335 6.530 -14.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 1.157 4.127 -14.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 1.882 4.801 -13.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 0.259 4.307 -12.989 1.00 0.00 H new ATOM 2006 N LEU A 126 -4.276 5.774 -10.292 1.00 0.00 N ATOM 2007 CA LEU A 126 -5.171 4.607 -10.031 1.00 0.00 C ATOM 2008 C LEU A 126 -6.614 4.946 -10.416 1.00 0.00 C ATOM 2009 O LEU A 126 -7.442 4.067 -10.558 1.00 0.00 O ATOM 2010 CB LEU A 126 -5.151 4.191 -8.549 1.00 0.00 C ATOM 2011 CG LEU A 126 -4.028 4.881 -7.773 1.00 0.00 C ATOM 2012 CD1 LEU A 126 -4.107 4.463 -6.304 1.00 0.00 C ATOM 2013 CD2 LEU A 126 -2.673 4.458 -8.341 1.00 0.00 C ATOM 0 H LEU A 126 -3.715 6.081 -9.497 1.00 0.00 H new ATOM 0 HA LEU A 126 -4.799 3.781 -10.636 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -6.110 4.435 -8.092 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -5.029 3.110 -8.478 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.136 5.962 -7.861 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.309 4.951 -5.744 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.072 4.758 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.996 3.381 -6.227 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.876 4.952 -7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.562 3.377 -8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -2.614 4.743 -9.391 1.00 0.00 H new ATOM 2025 N LYS A 127 -6.933 6.200 -10.591 1.00 0.00 N ATOM 2026 CA LYS A 127 -8.316 6.559 -10.963 1.00 0.00 C ATOM 2027 C LYS A 127 -8.731 5.723 -12.170 1.00 0.00 C ATOM 2028 O LYS A 127 -9.758 5.074 -12.169 1.00 0.00 O ATOM 2029 CB LYS A 127 -8.348 8.043 -11.305 1.00 0.00 C ATOM 2030 CG LYS A 127 -8.190 8.859 -10.020 1.00 0.00 C ATOM 2031 CD LYS A 127 -9.135 10.060 -10.053 1.00 0.00 C ATOM 2032 CE LYS A 127 -9.639 10.340 -8.638 1.00 0.00 C ATOM 2033 NZ LYS A 127 -10.451 11.589 -8.638 1.00 0.00 N ATOM 0 H LYS A 127 -6.290 6.986 -10.491 1.00 0.00 H new ATOM 0 HA LYS A 127 -9.007 6.362 -10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -7.547 8.285 -12.004 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -9.288 8.295 -11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.409 8.236 -9.153 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -7.159 9.198 -9.917 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -8.618 10.935 -10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -9.975 9.859 -10.718 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -10.240 9.503 -8.282 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -8.797 10.441 -7.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -10.794 11.780 -7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -9.864 12.385 -8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -11.262 11.476 -9.279 1.00 0.00 H new ATOM 2047 N ARG A 128 -7.928 5.723 -13.192 1.00 0.00 N ATOM 2048 CA ARG A 128 -8.249 4.926 -14.390 1.00 0.00 C ATOM 2049 C ARG A 128 -7.541 3.573 -14.285 1.00 0.00 C ATOM 2050 O ARG A 128 -6.918 3.109 -15.220 1.00 0.00 O ATOM 2051 CB ARG A 128 -7.757 5.678 -15.623 1.00 0.00 C ATOM 2052 CG ARG A 128 -8.900 6.513 -16.196 1.00 0.00 C ATOM 2053 CD ARG A 128 -8.332 7.737 -16.917 1.00 0.00 C ATOM 2054 NE ARG A 128 -8.928 8.972 -16.332 1.00 0.00 N ATOM 2055 CZ ARG A 128 -8.397 10.143 -16.573 1.00 0.00 C ATOM 2056 NH1 ARG A 128 -7.219 10.233 -17.133 1.00 0.00 N ATOM 2057 NH2 ARG A 128 -9.048 11.228 -16.254 1.00 0.00 N ATOM 0 H ARG A 128 -7.055 6.248 -13.244 1.00 0.00 H new ATOM 0 HA ARG A 128 -9.324 4.766 -14.468 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -6.918 6.322 -15.359 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -7.395 4.974 -16.372 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -9.491 5.913 -16.888 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -9.570 6.828 -15.396 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -7.247 7.761 -16.818 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -8.554 7.681 -17.983 1.00 0.00 H new ATOM 0 HE ARG A 128 -9.756 8.903 -15.740 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -6.708 9.387 -17.385 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -6.811 11.149 -17.318 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -9.968 11.161 -15.818 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -8.637 12.143 -16.440 1.00 0.00 H new ATOM 2071 N LEU A 129 -7.627 2.941 -13.144 1.00 0.00 N ATOM 2072 CA LEU A 129 -6.962 1.629 -12.955 1.00 0.00 C ATOM 2073 C LEU A 129 -7.331 0.691 -14.106 1.00 0.00 C ATOM 2074 O LEU A 129 -8.434 0.812 -14.613 1.00 0.00 O ATOM 2075 CB LEU A 129 -7.431 1.033 -11.628 1.00 0.00 C ATOM 2076 CG LEU A 129 -6.415 1.352 -10.528 1.00 0.00 C ATOM 2077 CD1 LEU A 129 -7.152 1.642 -9.219 1.00 0.00 C ATOM 2078 CD2 LEU A 129 -5.481 0.156 -10.327 1.00 0.00 C ATOM 2079 OXT LEU A 129 -6.505 -0.134 -14.461 1.00 0.00 O ATOM 0 H LEU A 129 -8.136 3.286 -12.330 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.880 1.758 -12.942 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -8.408 1.438 -11.362 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -7.549 -0.046 -11.725 1.00 0.00 H new ATOM 0 HG LEU A 129 -5.831 2.225 -10.821 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -6.428 1.869 -8.436 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -7.817 2.495 -9.357 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -7.737 0.769 -8.930 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -4.759 0.386 -9.544 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -6.065 -0.717 -10.037 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -4.953 -0.053 -11.257 1.00 0.00 H new