USER MOD reduce.3.24.130724 H: found=0, std=0, add=1013, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 1011 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -2.3 F(o=-3,f=-2.3) USER MOD Single : A 13 ASN :FLIP amide:sc= -9.95! C(o=-11!,f=-9.9!) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 16 ASN : amide:sc= -5.99! C(o=-6!,f=-13!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -2.44! USER MOD Single : A 28 HIS : no HD1:sc=-0.00912 X(o=-0.0091,f=0) USER MOD Single : A 29 MET CE :methyl -107:sc= -0.0161 (180deg=-0.304) USER MOD Single : A 31 ASN : amide:sc= 0.351 K(o=0.35,f=-1.9!) USER MOD Single : A 32 LYS NZ :NH3+ -145:sc=-0.000594 (180deg=-1.01) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 11:sc= 0.577 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 61 THR OG1 : rot 5:sc= 1.24 USER MOD Single : A 63 GLN : amide:sc= -16.5! C(o=-16!,f=-27!) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.166 F(o=-0.67,f=-0.17) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0967 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= -2.71 K(o=-2.7,f=-5.7) USER MOD Single : A 81 THR OG1 : rot -167:sc= -1.65! USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -1.28 K(o=-1.3,f=-5.5!) USER MOD Single : A 105 MET CE :methyl -127:sc= -0.199 (180deg=-1.77) USER MOD Single : A 106 SER OG : rot 80:sc= 0.161 USER MOD Single : A 111 ASN : amide:sc= -0.0418 X(o=-0.042,f=-0.46) USER MOD Single : A 119 ASN : amide:sc= -9.4! C(o=-9.4!,f=-16!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 132:sc= -2.55! (180deg=-5.06!) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 14.521 11.173 4.528 1.00 0.00 N ATOM 43 CA LYS A 3 13.628 10.641 3.466 1.00 0.00 C ATOM 44 C LYS A 3 13.270 9.185 3.765 1.00 0.00 C ATOM 45 O LYS A 3 14.014 8.466 4.403 1.00 0.00 O ATOM 46 CB LYS A 3 14.341 10.718 2.117 1.00 0.00 C ATOM 47 CG LYS A 3 13.468 10.054 1.055 1.00 0.00 C ATOM 48 CD LYS A 3 14.247 9.955 -0.259 1.00 0.00 C ATOM 49 CE LYS A 3 15.358 8.913 -0.114 1.00 0.00 C ATOM 50 NZ LYS A 3 16.645 9.489 -0.597 1.00 0.00 N ATOM 0 HA LYS A 3 12.716 11.236 3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.532 11.758 1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 3 15.309 10.220 2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 3 13.166 9.061 1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.556 10.631 0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 3 13.576 9.677 -1.072 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.674 10.925 -0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 3 15.452 8.608 0.928 1.00 0.00 H new ATOM 0 HE3 LYS A 3 15.110 8.019 -0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 17.401 8.781 -0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 16.551 9.759 -1.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 16.883 10.330 -0.033 1.00 0.00 H new ATOM 64 N LEU A 4 12.139 8.742 3.291 1.00 0.00 N ATOM 65 CA LEU A 4 11.729 7.328 3.522 1.00 0.00 C ATOM 66 C LEU A 4 10.787 6.902 2.398 1.00 0.00 C ATOM 67 O LEU A 4 10.143 7.720 1.773 1.00 0.00 O ATOM 68 CB LEU A 4 11.046 7.183 4.907 1.00 0.00 C ATOM 69 CG LEU A 4 9.518 7.289 4.828 1.00 0.00 C ATOM 70 CD1 LEU A 4 9.091 8.456 3.950 1.00 0.00 C ATOM 71 CD2 LEU A 4 8.933 5.976 4.292 1.00 0.00 C ATOM 0 H LEU A 4 11.478 9.301 2.751 1.00 0.00 H new ATOM 0 HA LEU A 4 12.606 6.681 3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.317 6.221 5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.425 7.954 5.577 1.00 0.00 H new ATOM 0 HG LEU A 4 9.134 7.470 5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.003 8.505 3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.482 9.385 4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.482 8.315 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.847 6.057 4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.332 5.779 3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.203 5.158 4.960 1.00 0.00 H new ATOM 83 N GLN A 5 10.693 5.636 2.136 1.00 0.00 N ATOM 84 CA GLN A 5 9.774 5.183 1.064 1.00 0.00 C ATOM 85 C GLN A 5 8.824 4.158 1.646 1.00 0.00 C ATOM 86 O GLN A 5 8.950 3.753 2.785 1.00 0.00 O ATOM 87 CB GLN A 5 10.555 4.566 -0.094 1.00 0.00 C ATOM 88 CG GLN A 5 11.396 5.657 -0.758 1.00 0.00 C ATOM 89 CD GLN A 5 12.785 5.688 -0.120 1.00 0.00 C ATOM 90 OE1 GLN A 5 13.284 6.825 0.281 1.00 0.00 O flip ATOM 91 NE2 GLN A 5 13.421 4.663 0.023 1.00 0.00 N flip ATOM 0 H GLN A 5 11.209 4.897 2.614 1.00 0.00 H new ATOM 0 HA GLN A 5 9.219 6.038 0.679 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.197 3.763 0.269 1.00 0.00 H new ATOM 0 HB3 GLN A 5 9.870 4.124 -0.818 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.480 5.466 -1.828 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.910 6.626 -0.644 1.00 0.00 H new ATOM 0 HE21 GLN A 5 13.032 3.774 -0.290 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.344 4.692 0.456 1.00 0.00 H new ATOM 100 N ILE A 6 7.870 3.744 0.888 1.00 0.00 N ATOM 101 CA ILE A 6 6.905 2.758 1.408 1.00 0.00 C ATOM 102 C ILE A 6 6.661 1.701 0.337 1.00 0.00 C ATOM 103 O ILE A 6 6.060 1.961 -0.686 1.00 0.00 O ATOM 104 CB ILE A 6 5.618 3.502 1.770 1.00 0.00 C ATOM 105 CG1 ILE A 6 5.722 4.007 3.213 1.00 0.00 C ATOM 106 CG2 ILE A 6 4.402 2.586 1.642 1.00 0.00 C ATOM 107 CD1 ILE A 6 5.346 2.891 4.202 1.00 0.00 C ATOM 0 H ILE A 6 7.713 4.045 -0.074 1.00 0.00 H new ATOM 0 HA ILE A 6 7.282 2.256 2.299 1.00 0.00 H new ATOM 0 HB ILE A 6 5.493 4.339 1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.737 4.351 3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.062 4.863 3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.500 3.139 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.322 2.229 0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.515 1.736 2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.425 3.267 5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.323 2.567 4.013 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.023 2.047 4.073 1.00 0.00 H new ATOM 119 N ALA A 7 7.136 0.511 0.570 1.00 0.00 N ATOM 120 CA ALA A 7 6.946 -0.580 -0.420 1.00 0.00 C ATOM 121 C ALA A 7 5.582 -1.217 -0.181 1.00 0.00 C ATOM 122 O ALA A 7 5.474 -2.381 0.153 1.00 0.00 O ATOM 123 CB ALA A 7 8.045 -1.627 -0.235 1.00 0.00 C ATOM 0 H ALA A 7 7.651 0.247 1.410 1.00 0.00 H new ATOM 0 HA ALA A 7 6.998 -0.185 -1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.909 -2.429 -0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.019 -1.162 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.991 -2.036 0.774 1.00 0.00 H new ATOM 129 N VAL A 8 4.536 -0.455 -0.332 1.00 0.00 N ATOM 130 CA VAL A 8 3.177 -1.009 -0.092 1.00 0.00 C ATOM 131 C VAL A 8 2.736 -1.843 -1.293 1.00 0.00 C ATOM 132 O VAL A 8 2.613 -3.045 -1.207 1.00 0.00 O ATOM 133 CB VAL A 8 2.163 0.130 0.150 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.430 1.309 -0.792 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.736 -0.391 -0.089 1.00 0.00 C ATOM 0 H VAL A 8 4.564 0.526 -0.611 1.00 0.00 H new ATOM 0 HA VAL A 8 3.212 -1.642 0.795 1.00 0.00 H new ATOM 0 HB VAL A 8 2.271 0.471 1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.703 2.098 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.435 1.693 -0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.342 0.976 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.021 0.414 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.645 -0.745 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.529 -1.212 0.597 1.00 0.00 H new ATOM 145 N GLY A 9 2.461 -1.233 -2.404 1.00 0.00 N ATOM 146 CA GLY A 9 1.994 -2.041 -3.549 1.00 0.00 C ATOM 147 C GLY A 9 0.722 -2.735 -3.113 1.00 0.00 C ATOM 148 O GLY A 9 0.718 -3.885 -2.722 1.00 0.00 O ATOM 0 H GLY A 9 2.538 -0.229 -2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.810 -1.408 -4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.750 -2.770 -3.840 1.00 0.00 H new ATOM 152 N ILE A 10 -0.357 -2.023 -3.161 1.00 0.00 N ATOM 153 CA ILE A 10 -1.645 -2.613 -2.730 1.00 0.00 C ATOM 154 C ILE A 10 -1.780 -3.964 -3.405 1.00 0.00 C ATOM 155 O ILE A 10 -0.990 -4.326 -4.254 1.00 0.00 O ATOM 156 CB ILE A 10 -2.839 -1.712 -3.101 1.00 0.00 C ATOM 157 CG1 ILE A 10 -2.361 -0.287 -3.408 1.00 0.00 C ATOM 158 CG2 ILE A 10 -3.816 -1.668 -1.919 1.00 0.00 C ATOM 159 CD1 ILE A 10 -3.565 0.606 -3.717 1.00 0.00 C ATOM 0 H ILE A 10 -0.405 -1.056 -3.480 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.652 -2.715 -1.645 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.329 -2.119 -3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.808 0.113 -2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.677 -0.298 -4.256 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.665 -1.033 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.169 -2.676 -1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.309 -1.264 -1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.222 1.617 -3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.099 0.210 -4.581 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.233 0.627 -2.856 1.00 0.00 H new ATOM 171 N ILE A 11 -2.748 -4.724 -3.026 1.00 0.00 N ATOM 172 CA ILE A 11 -2.903 -6.061 -3.637 1.00 0.00 C ATOM 173 C ILE A 11 -4.385 -6.303 -3.921 1.00 0.00 C ATOM 174 O ILE A 11 -5.146 -6.648 -3.043 1.00 0.00 O ATOM 175 CB ILE A 11 -2.366 -7.093 -2.644 1.00 0.00 C ATOM 176 CG1 ILE A 11 -2.921 -6.761 -1.261 1.00 0.00 C ATOM 177 CG2 ILE A 11 -0.830 -7.021 -2.596 1.00 0.00 C ATOM 178 CD1 ILE A 11 -2.386 -7.765 -0.240 1.00 0.00 C ATOM 0 H ILE A 11 -3.442 -4.481 -2.319 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.353 -6.137 -4.575 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.669 -8.094 -2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.634 -5.749 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.010 -6.790 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.453 -7.758 -1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.425 -7.230 -3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.522 -6.024 -2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.783 -7.527 0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.696 -8.771 -0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.297 -7.714 -0.215 1.00 0.00 H new ATOM 190 N ARG A 12 -4.798 -6.116 -5.146 1.00 0.00 N ATOM 191 CA ARG A 12 -6.238 -6.320 -5.499 1.00 0.00 C ATOM 192 C ARG A 12 -6.502 -7.817 -5.591 1.00 0.00 C ATOM 193 O ARG A 12 -5.636 -8.611 -5.281 1.00 0.00 O ATOM 194 CB ARG A 12 -6.533 -5.641 -6.838 1.00 0.00 C ATOM 195 CG ARG A 12 -5.686 -4.375 -6.935 1.00 0.00 C ATOM 196 CD ARG A 12 -6.329 -3.379 -7.907 1.00 0.00 C ATOM 197 NE ARG A 12 -6.434 -4.016 -9.252 1.00 0.00 N ATOM 198 CZ ARG A 12 -7.156 -3.463 -10.188 1.00 0.00 C ATOM 199 NH1 ARG A 12 -8.325 -2.964 -9.902 1.00 0.00 N ATOM 200 NH2 ARG A 12 -6.705 -3.413 -11.413 1.00 0.00 N ATOM 0 H ARG A 12 -4.200 -5.830 -5.921 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.885 -5.882 -4.739 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.303 -6.315 -7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.592 -5.395 -6.913 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.586 -3.920 -5.950 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.681 -4.627 -7.273 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.317 -3.088 -7.550 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.730 -2.470 -7.966 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.939 -4.888 -9.441 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.677 -3.005 -8.946 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.888 -2.532 -10.635 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.790 -3.806 -11.636 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.267 -2.981 -12.146 1.00 0.00 H new ATOM 214 N ASN A 13 -7.683 -8.240 -5.956 1.00 0.00 N ATOM 215 CA ASN A 13 -7.897 -9.711 -5.971 1.00 0.00 C ATOM 216 C ASN A 13 -9.043 -10.184 -6.897 1.00 0.00 C ATOM 217 O ASN A 13 -8.812 -10.950 -7.779 1.00 0.00 O ATOM 218 CB ASN A 13 -8.121 -10.141 -4.508 1.00 0.00 C ATOM 219 CG ASN A 13 -9.454 -10.883 -4.310 1.00 0.00 C ATOM 220 OD1 ASN A 13 -10.208 -10.579 -3.292 1.00 0.00 O flip ATOM 221 ND2 ASN A 13 -9.802 -11.758 -5.078 1.00 0.00 N flip ATOM 0 H ASN A 13 -8.475 -7.659 -6.232 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.017 -10.191 -6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.300 -10.785 -4.192 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.100 -9.260 -3.866 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.215 -11.999 -5.876 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.681 -12.251 -4.924 1.00 0.00 H new ATOM 228 N GLU A 14 -10.271 -9.800 -6.699 1.00 0.00 N ATOM 229 CA GLU A 14 -11.357 -10.372 -7.581 1.00 0.00 C ATOM 230 C GLU A 14 -11.628 -9.476 -8.782 1.00 0.00 C ATOM 231 O GLU A 14 -11.994 -9.923 -9.851 1.00 0.00 O ATOM 232 CB GLU A 14 -12.638 -10.478 -6.754 1.00 0.00 C ATOM 233 CG GLU A 14 -13.750 -11.086 -7.604 1.00 0.00 C ATOM 234 CD GLU A 14 -15.000 -10.211 -7.501 1.00 0.00 C ATOM 235 OE1 GLU A 14 -15.278 -9.740 -6.412 1.00 0.00 O ATOM 236 OE2 GLU A 14 -15.657 -10.026 -8.512 1.00 0.00 O ATOM 0 H GLU A 14 -10.578 -9.135 -5.989 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.034 -11.347 -7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.463 -11.094 -5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.936 -9.491 -6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.429 -11.161 -8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.971 -12.098 -7.264 1.00 0.00 H new ATOM 243 N ASN A 15 -11.428 -8.233 -8.604 1.00 0.00 N ATOM 244 CA ASN A 15 -11.630 -7.243 -9.693 1.00 0.00 C ATOM 245 C ASN A 15 -10.854 -6.030 -9.250 1.00 0.00 C ATOM 246 O ASN A 15 -10.108 -5.415 -9.986 1.00 0.00 O ATOM 247 CB ASN A 15 -13.117 -6.901 -9.830 1.00 0.00 C ATOM 248 CG ASN A 15 -13.440 -6.607 -11.295 1.00 0.00 C ATOM 249 OD1 ASN A 15 -12.871 -5.711 -11.888 1.00 0.00 O ATOM 250 ND2 ASN A 15 -14.335 -7.329 -11.910 1.00 0.00 N ATOM 0 H ASN A 15 -11.120 -7.828 -7.720 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.300 -7.617 -10.662 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.726 -7.731 -9.472 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.361 -6.037 -9.212 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.557 -7.142 -12.888 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -14.813 -8.081 -11.413 1.00 0.00 H new ATOM 257 N ASN A 16 -11.010 -5.735 -8.001 1.00 0.00 N ATOM 258 CA ASN A 16 -10.297 -4.627 -7.371 1.00 0.00 C ATOM 259 C ASN A 16 -10.300 -4.928 -5.880 1.00 0.00 C ATOM 260 O ASN A 16 -10.399 -4.035 -5.061 1.00 0.00 O ATOM 261 CB ASN A 16 -11.022 -3.307 -7.647 1.00 0.00 C ATOM 262 CG ASN A 16 -10.274 -2.162 -6.961 1.00 0.00 C ATOM 263 OD1 ASN A 16 -9.292 -1.669 -7.474 1.00 0.00 O ATOM 264 ND2 ASN A 16 -10.702 -1.717 -5.813 1.00 0.00 N ATOM 0 H ASN A 16 -11.631 -6.244 -7.372 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.283 -4.528 -7.759 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.078 -3.128 -8.721 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -12.047 -3.359 -7.279 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.211 -0.954 -5.346 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.528 -2.131 -5.381 1.00 0.00 H new ATOM 271 N GLU A 17 -10.210 -6.195 -5.501 1.00 0.00 N ATOM 272 CA GLU A 17 -10.233 -6.490 -4.045 1.00 0.00 C ATOM 273 C GLU A 17 -8.862 -6.200 -3.467 1.00 0.00 C ATOM 274 O GLU A 17 -8.034 -7.076 -3.318 1.00 0.00 O ATOM 275 CB GLU A 17 -10.605 -7.944 -3.775 1.00 0.00 C ATOM 276 CG GLU A 17 -12.038 -8.212 -4.235 1.00 0.00 C ATOM 277 CD GLU A 17 -12.862 -8.738 -3.056 1.00 0.00 C ATOM 278 OE1 GLU A 17 -12.315 -9.492 -2.268 1.00 0.00 O ATOM 279 OE2 GLU A 17 -14.023 -8.380 -2.964 1.00 0.00 O ATOM 0 H GLU A 17 -10.125 -7.000 -6.122 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.988 -5.860 -3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.916 -8.607 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.509 -8.161 -2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.484 -7.297 -4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.041 -8.939 -5.048 1.00 0.00 H new ATOM 286 N ILE A 18 -8.616 -4.967 -3.144 1.00 0.00 N ATOM 287 CA ILE A 18 -7.298 -4.607 -2.581 1.00 0.00 C ATOM 288 C ILE A 18 -7.265 -4.964 -1.099 1.00 0.00 C ATOM 289 O ILE A 18 -8.238 -4.825 -0.389 1.00 0.00 O ATOM 290 CB ILE A 18 -7.049 -3.110 -2.759 1.00 0.00 C ATOM 291 CG1 ILE A 18 -8.301 -2.330 -2.361 1.00 0.00 C ATOM 292 CG2 ILE A 18 -6.717 -2.824 -4.223 1.00 0.00 C ATOM 293 CD1 ILE A 18 -7.897 -0.918 -1.938 1.00 0.00 C ATOM 0 H ILE A 18 -9.273 -4.194 -3.247 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.518 -5.160 -3.104 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.216 -2.803 -2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.999 -2.287 -3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.815 -2.835 -1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.539 -1.757 -4.354 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.823 -3.379 -4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.552 -3.132 -4.852 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -8.786 -0.355 -1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.215 -0.973 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.402 -0.417 -2.770 1.00 0.00 H new ATOM 305 N PHE A 19 -6.144 -5.429 -0.637 1.00 0.00 N ATOM 306 CA PHE A 19 -6.004 -5.806 0.803 1.00 0.00 C ATOM 307 C PHE A 19 -5.766 -4.543 1.644 1.00 0.00 C ATOM 308 O PHE A 19 -4.924 -4.517 2.519 1.00 0.00 O ATOM 309 CB PHE A 19 -4.799 -6.734 0.924 1.00 0.00 C ATOM 310 CG PHE A 19 -4.724 -7.345 2.298 1.00 0.00 C ATOM 311 CD1 PHE A 19 -5.880 -7.808 2.934 1.00 0.00 C ATOM 312 CD2 PHE A 19 -3.482 -7.469 2.926 1.00 0.00 C ATOM 313 CE1 PHE A 19 -5.788 -8.391 4.204 1.00 0.00 C ATOM 314 CE2 PHE A 19 -3.392 -8.051 4.191 1.00 0.00 C ATOM 315 CZ PHE A 19 -4.545 -8.510 4.833 1.00 0.00 C ATOM 0 H PHE A 19 -5.304 -5.568 -1.199 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.907 -6.301 1.160 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.866 -7.523 0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.885 -6.177 0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.840 -7.716 2.448 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.590 -7.114 2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.679 -8.749 4.698 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.431 -8.147 4.674 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.476 -8.956 5.814 1.00 0.00 H new ATOM 325 N ILE A 20 -6.490 -3.493 1.366 1.00 0.00 N ATOM 326 CA ILE A 20 -6.310 -2.222 2.111 1.00 0.00 C ATOM 327 C ILE A 20 -7.059 -2.238 3.432 1.00 0.00 C ATOM 328 O ILE A 20 -8.062 -2.902 3.595 1.00 0.00 O ATOM 329 CB ILE A 20 -6.873 -1.071 1.289 1.00 0.00 C ATOM 330 CG1 ILE A 20 -6.688 0.236 2.059 1.00 0.00 C ATOM 331 CG2 ILE A 20 -8.365 -1.307 1.039 1.00 0.00 C ATOM 332 CD1 ILE A 20 -5.199 0.473 2.317 1.00 0.00 C ATOM 0 H ILE A 20 -7.209 -3.465 0.643 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.243 -2.102 2.298 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.349 -1.011 0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.106 1.067 1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.229 0.193 3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.770 -0.484 0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.499 -2.242 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.889 -1.363 1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.069 1.405 2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.795 -0.353 2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.670 0.535 1.366 1.00 0.00 H new ATOM 344 N THR A 21 -6.605 -1.445 4.350 1.00 0.00 N ATOM 345 CA THR A 21 -7.302 -1.331 5.653 1.00 0.00 C ATOM 346 C THR A 21 -8.680 -0.724 5.381 1.00 0.00 C ATOM 347 O THR A 21 -8.828 0.474 5.245 1.00 0.00 O ATOM 348 CB THR A 21 -6.498 -0.407 6.556 1.00 0.00 C ATOM 349 OG1 THR A 21 -7.157 -0.261 7.805 1.00 0.00 O ATOM 350 CG2 THR A 21 -6.360 0.957 5.884 1.00 0.00 C ATOM 0 H THR A 21 -5.772 -0.864 4.254 1.00 0.00 H new ATOM 0 HA THR A 21 -7.405 -2.302 6.138 1.00 0.00 H new ATOM 0 HB THR A 21 -5.509 -0.833 6.725 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.635 0.333 8.383 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.785 1.623 6.527 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.847 0.842 4.929 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.350 1.381 5.715 1.00 0.00 H new ATOM 358 N ARG A 22 -9.677 -1.547 5.262 1.00 0.00 N ATOM 359 CA ARG A 22 -11.040 -1.041 4.953 1.00 0.00 C ATOM 360 C ARG A 22 -11.865 -0.927 6.234 1.00 0.00 C ATOM 361 O ARG A 22 -12.580 -1.838 6.603 1.00 0.00 O ATOM 362 CB ARG A 22 -11.708 -2.020 3.989 1.00 0.00 C ATOM 363 CG ARG A 22 -13.165 -1.619 3.778 1.00 0.00 C ATOM 364 CD ARG A 22 -13.221 -0.384 2.884 1.00 0.00 C ATOM 365 NE ARG A 22 -14.639 -0.102 2.517 1.00 0.00 N ATOM 366 CZ ARG A 22 -14.969 1.055 2.013 1.00 0.00 C ATOM 367 NH1 ARG A 22 -14.086 2.008 1.923 1.00 0.00 N ATOM 368 NH2 ARG A 22 -16.188 1.260 1.595 1.00 0.00 N ATOM 0 H ARG A 22 -9.607 -2.559 5.366 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.974 -0.052 4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.180 -2.024 3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.653 -3.033 4.388 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.718 -2.439 3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.640 -1.410 4.737 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.790 0.473 3.402 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.626 -0.545 1.985 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.353 -0.816 2.661 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.132 1.851 2.247 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.349 2.911 1.528 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.882 0.516 1.662 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.447 2.165 1.201 1.00 0.00 H new ATOM 382 N ARG A 23 -11.772 0.193 6.903 1.00 0.00 N ATOM 383 CA ARG A 23 -12.549 0.399 8.165 1.00 0.00 C ATOM 384 C ARG A 23 -12.619 -0.911 8.956 1.00 0.00 C ATOM 385 O ARG A 23 -13.576 -1.651 8.855 1.00 0.00 O ATOM 386 CB ARG A 23 -13.975 0.877 7.843 1.00 0.00 C ATOM 387 CG ARG A 23 -14.280 0.699 6.352 1.00 0.00 C ATOM 388 CD ARG A 23 -15.616 1.367 6.011 1.00 0.00 C ATOM 389 NE ARG A 23 -16.281 0.602 4.920 1.00 0.00 N ATOM 390 CZ ARG A 23 -17.547 0.784 4.667 1.00 0.00 C ATOM 391 NH1 ARG A 23 -18.010 1.987 4.471 1.00 0.00 N ATOM 392 NH2 ARG A 23 -18.352 -0.240 4.615 1.00 0.00 N ATOM 0 H ARG A 23 -11.186 0.981 6.628 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.044 1.158 8.762 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.696 0.315 8.437 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.084 1.926 8.119 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.481 1.137 5.753 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.320 -0.362 6.104 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.256 1.398 6.893 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.452 2.399 5.700 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.744 -0.067 4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.381 2.789 4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.001 2.126 4.273 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.991 -1.181 4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.343 -0.100 4.417 1.00 0.00 H new ATOM 406 N ALA A 24 -11.615 -1.200 9.742 1.00 0.00 N ATOM 407 CA ALA A 24 -11.633 -2.461 10.539 1.00 0.00 C ATOM 408 C ALA A 24 -13.030 -2.659 11.131 1.00 0.00 C ATOM 409 O ALA A 24 -13.641 -3.697 10.973 1.00 0.00 O ATOM 410 CB ALA A 24 -10.604 -2.369 11.669 1.00 0.00 C ATOM 0 H ALA A 24 -10.786 -0.619 9.866 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.384 -3.305 9.896 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.618 -3.291 12.250 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.610 -2.223 11.245 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.850 -1.528 12.317 1.00 0.00 H new ATOM 416 N ALA A 25 -13.548 -1.663 11.796 1.00 0.00 N ATOM 417 CA ALA A 25 -14.911 -1.787 12.378 1.00 0.00 C ATOM 418 C ALA A 25 -15.935 -1.625 11.255 1.00 0.00 C ATOM 419 O ALA A 25 -15.615 -1.778 10.093 1.00 0.00 O ATOM 420 CB ALA A 25 -15.122 -0.693 13.430 1.00 0.00 C ATOM 0 H ALA A 25 -13.085 -0.769 11.961 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.028 -2.761 12.852 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.121 -0.785 13.855 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.380 -0.801 14.221 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -15.015 0.286 12.963 1.00 0.00 H new ATOM 426 N ASP A 26 -17.157 -1.315 11.579 1.00 0.00 N ATOM 427 CA ASP A 26 -18.172 -1.147 10.501 1.00 0.00 C ATOM 428 C ASP A 26 -17.955 0.200 9.807 1.00 0.00 C ATOM 429 O ASP A 26 -17.989 0.296 8.597 1.00 0.00 O ATOM 430 CB ASP A 26 -19.591 -1.207 11.083 1.00 0.00 C ATOM 431 CG ASP A 26 -19.614 -0.581 12.479 1.00 0.00 C ATOM 432 OD1 ASP A 26 -19.465 0.627 12.567 1.00 0.00 O ATOM 433 OD2 ASP A 26 -19.783 -1.320 13.434 1.00 0.00 O ATOM 0 H ASP A 26 -17.496 -1.172 12.530 1.00 0.00 H new ATOM 0 HA ASP A 26 -18.059 -1.956 9.780 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -20.284 -0.679 10.428 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -19.928 -2.242 11.135 1.00 0.00 H new ATOM 438 N ALA A 27 -17.719 1.238 10.565 1.00 0.00 N ATOM 439 CA ALA A 27 -17.488 2.584 9.956 1.00 0.00 C ATOM 440 C ALA A 27 -18.631 2.937 9.004 1.00 0.00 C ATOM 441 O ALA A 27 -18.772 2.363 7.944 1.00 0.00 O ATOM 442 CB ALA A 27 -16.171 2.577 9.174 1.00 0.00 C ATOM 0 H ALA A 27 -17.676 1.213 11.584 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.442 3.325 10.754 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -16.005 3.559 8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.348 2.340 9.849 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.221 1.827 8.385 1.00 0.00 H new ATOM 448 N HIS A 28 -19.441 3.894 9.362 1.00 0.00 N ATOM 449 CA HIS A 28 -20.558 4.290 8.461 1.00 0.00 C ATOM 450 C HIS A 28 -20.006 5.182 7.346 1.00 0.00 C ATOM 451 O HIS A 28 -20.708 5.549 6.425 1.00 0.00 O ATOM 452 CB HIS A 28 -21.611 5.065 9.256 1.00 0.00 C ATOM 453 CG HIS A 28 -22.203 4.179 10.317 1.00 0.00 C ATOM 454 ND1 HIS A 28 -22.754 4.691 11.481 1.00 0.00 N ATOM 455 CD2 HIS A 28 -22.342 2.815 10.406 1.00 0.00 C ATOM 456 CE1 HIS A 28 -23.194 3.652 12.214 1.00 0.00 C ATOM 457 NE2 HIS A 28 -22.968 2.486 11.604 1.00 0.00 N ATOM 0 H HIS A 28 -19.378 4.417 10.236 1.00 0.00 H new ATOM 0 HA HIS A 28 -21.016 3.399 8.032 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -21.159 5.945 9.714 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -22.395 5.421 8.588 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -22.015 2.106 9.660 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -23.672 3.749 13.178 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -23.204 1.554 11.944 1.00 0.00 H new ATOM 465 N MET A 29 -18.752 5.540 7.426 1.00 0.00 N ATOM 466 CA MET A 29 -18.157 6.414 6.377 1.00 0.00 C ATOM 467 C MET A 29 -17.642 5.538 5.221 1.00 0.00 C ATOM 468 O MET A 29 -18.388 4.752 4.672 1.00 0.00 O ATOM 469 CB MET A 29 -17.024 7.243 7.001 1.00 0.00 C ATOM 470 CG MET A 29 -17.614 8.470 7.707 1.00 0.00 C ATOM 471 SD MET A 29 -18.900 7.954 8.872 1.00 0.00 S ATOM 472 CE MET A 29 -17.801 7.286 10.145 1.00 0.00 C ATOM 0 H MET A 29 -18.115 5.264 8.173 1.00 0.00 H new ATOM 0 HA MET A 29 -18.905 7.099 5.977 1.00 0.00 H new ATOM 0 HB2 MET A 29 -16.464 6.636 7.712 1.00 0.00 H new ATOM 0 HB3 MET A 29 -16.322 7.558 6.229 1.00 0.00 H new ATOM 0 HG2 MET A 29 -16.828 9.009 8.236 1.00 0.00 H new ATOM 0 HG3 MET A 29 -18.032 9.157 6.971 1.00 0.00 H new ATOM 0 HE1 MET A 29 -17.855 6.197 10.138 1.00 0.00 H new ATOM 0 HE2 MET A 29 -16.777 7.600 9.943 1.00 0.00 H new ATOM 0 HE3 MET A 29 -18.108 7.658 11.122 1.00 0.00 H new ATOM 482 N ALA A 30 -16.386 5.646 4.850 1.00 0.00 N ATOM 483 CA ALA A 30 -15.864 4.798 3.731 1.00 0.00 C ATOM 484 C ALA A 30 -14.558 5.368 3.148 1.00 0.00 C ATOM 485 O ALA A 30 -13.967 4.777 2.269 1.00 0.00 O ATOM 486 CB ALA A 30 -16.907 4.714 2.618 1.00 0.00 C ATOM 0 H ALA A 30 -15.706 6.279 5.270 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.658 3.807 4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -16.524 4.096 1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.822 4.271 3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -17.120 5.715 2.243 1.00 0.00 H new ATOM 492 N ASN A 31 -14.084 6.491 3.620 1.00 0.00 N ATOM 493 CA ASN A 31 -12.809 7.039 3.067 1.00 0.00 C ATOM 494 C ASN A 31 -11.626 6.337 3.743 1.00 0.00 C ATOM 495 O ASN A 31 -10.495 6.769 3.645 1.00 0.00 O ATOM 496 CB ASN A 31 -12.731 8.544 3.332 1.00 0.00 C ATOM 497 CG ASN A 31 -13.084 8.832 4.792 1.00 0.00 C ATOM 498 OD1 ASN A 31 -14.243 8.861 5.156 1.00 0.00 O ATOM 499 ND2 ASN A 31 -12.127 9.054 5.649 1.00 0.00 N ATOM 0 H ASN A 31 -14.518 7.048 4.356 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.775 6.866 1.991 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.728 8.910 3.112 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -13.416 9.075 2.671 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.351 9.252 6.624 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.154 9.030 5.344 1.00 0.00 H new ATOM 506 N LYS A 32 -11.890 5.260 4.434 1.00 0.00 N ATOM 507 CA LYS A 32 -10.815 4.506 5.130 1.00 0.00 C ATOM 508 C LYS A 32 -10.088 3.582 4.144 1.00 0.00 C ATOM 509 O LYS A 32 -10.049 2.384 4.331 1.00 0.00 O ATOM 510 CB LYS A 32 -11.464 3.655 6.217 1.00 0.00 C ATOM 511 CG LYS A 32 -10.604 3.673 7.478 1.00 0.00 C ATOM 512 CD LYS A 32 -9.191 3.196 7.143 1.00 0.00 C ATOM 513 CE LYS A 32 -8.325 3.246 8.404 1.00 0.00 C ATOM 514 NZ LYS A 32 -6.954 3.706 8.046 1.00 0.00 N ATOM 0 H LYS A 32 -12.824 4.866 4.545 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.094 5.204 5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.461 4.035 6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.585 2.631 5.864 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.570 4.681 7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.045 3.030 8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.222 2.180 6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.758 3.825 6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.768 3.922 9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.280 2.260 8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.257 3.220 8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.764 3.487 7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.883 4.733 8.194 1.00 0.00 H new ATOM 528 N LEU A 33 -9.509 4.118 3.105 1.00 0.00 N ATOM 529 CA LEU A 33 -8.789 3.245 2.130 1.00 0.00 C ATOM 530 C LEU A 33 -7.397 3.829 1.867 1.00 0.00 C ATOM 531 O LEU A 33 -7.193 4.564 0.926 1.00 0.00 O ATOM 532 CB LEU A 33 -9.582 3.177 0.815 1.00 0.00 C ATOM 533 CG LEU A 33 -10.840 2.322 1.003 1.00 0.00 C ATOM 534 CD1 LEU A 33 -11.418 1.966 -0.367 1.00 0.00 C ATOM 535 CD2 LEU A 33 -10.486 1.029 1.744 1.00 0.00 C ATOM 0 H LEU A 33 -9.502 5.115 2.888 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.691 2.239 2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.860 4.182 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.959 2.753 0.027 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.571 2.885 1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.313 1.358 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.675 2.880 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.679 1.406 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.385 0.426 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.753 0.467 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.068 1.272 2.721 1.00 0.00 H new ATOM 547 N GLU A 34 -6.436 3.506 2.694 1.00 0.00 N ATOM 548 CA GLU A 34 -5.058 4.039 2.489 1.00 0.00 C ATOM 549 C GLU A 34 -4.253 3.029 1.657 1.00 0.00 C ATOM 550 O GLU A 34 -4.693 2.594 0.613 1.00 0.00 O ATOM 551 CB GLU A 34 -4.408 4.267 3.857 1.00 0.00 C ATOM 552 CG GLU A 34 -3.280 5.293 3.725 1.00 0.00 C ATOM 553 CD GLU A 34 -2.157 4.942 4.705 1.00 0.00 C ATOM 554 OE1 GLU A 34 -2.429 4.896 5.893 1.00 0.00 O ATOM 555 OE2 GLU A 34 -1.046 4.724 4.250 1.00 0.00 O ATOM 0 H GLU A 34 -6.548 2.895 3.503 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.085 4.988 1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.153 4.620 4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.015 3.327 4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.898 5.301 2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.658 6.294 3.931 1.00 0.00 H new ATOM 562 N PHE A 35 -3.093 2.632 2.116 1.00 0.00 N ATOM 563 CA PHE A 35 -2.293 1.626 1.355 1.00 0.00 C ATOM 564 C PHE A 35 -1.428 0.845 2.346 1.00 0.00 C ATOM 565 O PHE A 35 -0.811 1.426 3.216 1.00 0.00 O ATOM 566 CB PHE A 35 -1.387 2.304 0.317 1.00 0.00 C ATOM 567 CG PHE A 35 -1.488 3.802 0.432 1.00 0.00 C ATOM 568 CD1 PHE A 35 -0.827 4.467 1.470 1.00 0.00 C ATOM 569 CD2 PHE A 35 -2.246 4.525 -0.495 1.00 0.00 C ATOM 570 CE1 PHE A 35 -0.923 5.855 1.580 1.00 0.00 C ATOM 571 CE2 PHE A 35 -2.344 5.914 -0.383 1.00 0.00 C ATOM 572 CZ PHE A 35 -1.682 6.578 0.655 1.00 0.00 C ATOM 0 H PHE A 35 -2.667 2.960 2.983 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.975 0.961 0.825 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.354 1.990 0.466 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.674 1.990 -0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.243 3.907 2.185 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.755 4.010 -1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.411 6.370 2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.930 6.474 -1.097 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.757 7.652 0.742 1.00 0.00 H new ATOM 582 N PRO A 36 -1.410 -0.453 2.190 1.00 0.00 N ATOM 583 CA PRO A 36 -0.624 -1.332 3.071 1.00 0.00 C ATOM 584 C PRO A 36 0.867 -0.990 2.940 1.00 0.00 C ATOM 585 O PRO A 36 1.554 -1.485 2.070 1.00 0.00 O ATOM 586 CB PRO A 36 -0.926 -2.750 2.565 1.00 0.00 C ATOM 587 CG PRO A 36 -1.758 -2.618 1.264 1.00 0.00 C ATOM 588 CD PRO A 36 -2.165 -1.144 1.128 1.00 0.00 C ATOM 0 HA PRO A 36 -0.874 -1.224 4.126 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.001 -3.293 2.374 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.478 -3.315 3.316 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.174 -2.936 0.401 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.640 -3.258 1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.913 -0.752 0.143 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.240 -1.015 1.257 1.00 0.00 H new ATOM 596 N GLY A 37 1.360 -0.125 3.791 1.00 0.00 N ATOM 597 CA GLY A 37 2.793 0.288 3.724 1.00 0.00 C ATOM 598 C GLY A 37 3.726 -0.925 3.768 1.00 0.00 C ATOM 599 O GLY A 37 3.380 -2.019 3.370 1.00 0.00 O ATOM 0 H GLY A 37 0.823 0.317 4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.969 0.851 2.807 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.021 0.954 4.556 1.00 0.00 H new ATOM 603 N GLY A 38 4.919 -0.720 4.255 1.00 0.00 N ATOM 604 CA GLY A 38 5.915 -1.821 4.344 1.00 0.00 C ATOM 605 C GLY A 38 7.305 -1.203 4.517 1.00 0.00 C ATOM 606 O GLY A 38 8.202 -1.808 5.074 1.00 0.00 O ATOM 0 H GLY A 38 5.250 0.181 4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.683 -2.475 5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.882 -2.435 3.444 1.00 0.00 H new ATOM 610 N LYS A 39 7.476 0.008 4.040 1.00 0.00 N ATOM 611 CA LYS A 39 8.787 0.711 4.155 1.00 0.00 C ATOM 612 C LYS A 39 9.855 -0.034 3.361 1.00 0.00 C ATOM 613 O LYS A 39 10.456 -0.970 3.844 1.00 0.00 O ATOM 614 CB LYS A 39 9.214 0.791 5.623 1.00 0.00 C ATOM 615 CG LYS A 39 10.632 1.372 5.711 1.00 0.00 C ATOM 616 CD LYS A 39 10.568 2.897 5.779 1.00 0.00 C ATOM 617 CE LYS A 39 11.977 3.465 5.593 1.00 0.00 C ATOM 618 NZ LYS A 39 12.759 3.266 6.846 1.00 0.00 N ATOM 0 H LYS A 39 6.748 0.545 3.569 1.00 0.00 H new ATOM 0 HA LYS A 39 8.675 1.718 3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.518 1.416 6.182 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.187 -0.200 6.076 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.140 0.981 6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.215 1.062 4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.903 3.280 5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.158 3.214 6.738 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.474 2.970 4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.924 4.526 5.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.717 3.651 6.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.287 3.758 7.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.819 2.250 7.060 1.00 0.00 H new ATOM 632 N ILE A 40 10.120 0.390 2.157 1.00 0.00 N ATOM 633 CA ILE A 40 11.178 -0.292 1.354 1.00 0.00 C ATOM 634 C ILE A 40 12.544 0.228 1.806 1.00 0.00 C ATOM 635 O ILE A 40 12.753 1.416 1.953 1.00 0.00 O ATOM 636 CB ILE A 40 10.969 -0.048 -0.157 1.00 0.00 C ATOM 637 CG1 ILE A 40 12.324 0.042 -0.888 1.00 0.00 C ATOM 638 CG2 ILE A 40 10.171 1.237 -0.397 1.00 0.00 C ATOM 639 CD1 ILE A 40 12.899 1.459 -0.773 1.00 0.00 C ATOM 0 H ILE A 40 9.656 1.172 1.696 1.00 0.00 H new ATOM 0 HA ILE A 40 11.123 -1.368 1.517 1.00 0.00 H new ATOM 0 HB ILE A 40 10.406 -0.893 -0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.023 -0.677 -0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.197 -0.222 -1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.037 1.387 -1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.196 1.155 0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.712 2.085 0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.855 1.507 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 40 12.206 2.171 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.045 1.708 0.278 1.00 0.00 H new ATOM 651 N GLU A 41 13.471 -0.658 2.031 1.00 0.00 N ATOM 652 CA GLU A 41 14.823 -0.224 2.477 1.00 0.00 C ATOM 653 C GLU A 41 15.787 -1.418 2.445 1.00 0.00 C ATOM 654 O GLU A 41 16.965 -1.271 2.192 1.00 0.00 O ATOM 655 CB GLU A 41 14.727 0.348 3.901 1.00 0.00 C ATOM 656 CG GLU A 41 14.835 -0.775 4.939 1.00 0.00 C ATOM 657 CD GLU A 41 14.078 -0.371 6.205 1.00 0.00 C ATOM 658 OE1 GLU A 41 12.920 -0.011 6.086 1.00 0.00 O ATOM 659 OE2 GLU A 41 14.669 -0.431 7.270 1.00 0.00 O ATOM 0 H GLU A 41 13.351 -1.665 1.925 1.00 0.00 H new ATOM 0 HA GLU A 41 15.202 0.548 1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.522 1.077 4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.781 0.876 4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.423 -1.700 4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.882 -0.969 5.174 1.00 0.00 H new ATOM 666 N MET A 42 15.294 -2.598 2.710 1.00 0.00 N ATOM 667 CA MET A 42 16.183 -3.796 2.705 1.00 0.00 C ATOM 668 C MET A 42 16.829 -3.953 1.327 1.00 0.00 C ATOM 669 O MET A 42 16.425 -3.333 0.364 1.00 0.00 O ATOM 670 CB MET A 42 15.358 -5.042 3.029 1.00 0.00 C ATOM 671 CG MET A 42 15.178 -5.152 4.544 1.00 0.00 C ATOM 672 SD MET A 42 13.575 -5.910 4.905 1.00 0.00 S ATOM 673 CE MET A 42 13.812 -6.105 6.687 1.00 0.00 C ATOM 0 H MET A 42 14.315 -2.784 2.929 1.00 0.00 H new ATOM 0 HA MET A 42 16.964 -3.671 3.455 1.00 0.00 H new ATOM 0 HB2 MET A 42 14.386 -4.985 2.539 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.857 -5.932 2.645 1.00 0.00 H new ATOM 0 HG2 MET A 42 15.981 -5.751 4.974 1.00 0.00 H new ATOM 0 HG3 MET A 42 15.237 -4.164 5.001 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.925 -6.564 7.124 1.00 0.00 H new ATOM 0 HE2 MET A 42 14.678 -6.741 6.871 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.976 -5.128 7.141 1.00 0.00 H new ATOM 683 N GLY A 43 17.835 -4.780 1.225 1.00 0.00 N ATOM 684 CA GLY A 43 18.511 -4.977 -0.089 1.00 0.00 C ATOM 685 C GLY A 43 18.895 -3.615 -0.668 1.00 0.00 C ATOM 686 O GLY A 43 19.560 -2.821 -0.032 1.00 0.00 O ATOM 0 H GLY A 43 18.218 -5.328 1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 43 19.400 -5.596 0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 43 17.849 -5.504 -0.776 1.00 0.00 H new ATOM 690 N GLU A 44 18.478 -3.342 -1.872 1.00 0.00 N ATOM 691 CA GLU A 44 18.812 -2.034 -2.499 1.00 0.00 C ATOM 692 C GLU A 44 17.992 -1.866 -3.780 1.00 0.00 C ATOM 693 O GLU A 44 18.388 -1.179 -4.701 1.00 0.00 O ATOM 694 CB GLU A 44 20.307 -1.999 -2.830 1.00 0.00 C ATOM 695 CG GLU A 44 20.705 -3.300 -3.531 1.00 0.00 C ATOM 696 CD GLU A 44 21.116 -4.342 -2.487 1.00 0.00 C ATOM 697 OE1 GLU A 44 21.895 -4.000 -1.610 1.00 0.00 O ATOM 698 OE2 GLU A 44 20.646 -5.463 -2.580 1.00 0.00 O ATOM 0 H GLU A 44 17.919 -3.970 -2.450 1.00 0.00 H new ATOM 0 HA GLU A 44 18.577 -1.222 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.529 -1.146 -3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.890 -1.872 -1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 44 19.871 -3.675 -4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 44 21.529 -3.116 -4.220 1.00 0.00 H new ATOM 705 N THR A 45 16.853 -2.499 -3.843 1.00 0.00 N ATOM 706 CA THR A 45 15.998 -2.398 -5.056 1.00 0.00 C ATOM 707 C THR A 45 14.552 -2.680 -4.648 1.00 0.00 C ATOM 708 O THR A 45 14.316 -3.536 -3.834 1.00 0.00 O ATOM 709 CB THR A 45 16.476 -3.449 -6.066 1.00 0.00 C ATOM 710 OG1 THR A 45 17.739 -3.057 -6.586 1.00 0.00 O ATOM 711 CG2 THR A 45 15.472 -3.583 -7.214 1.00 0.00 C ATOM 0 H THR A 45 16.476 -3.086 -3.099 1.00 0.00 H new ATOM 0 HA THR A 45 16.061 -1.406 -5.504 1.00 0.00 H new ATOM 0 HB THR A 45 16.563 -4.412 -5.562 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.091 -2.309 -6.060 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.826 -4.333 -7.922 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.504 -3.888 -6.817 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.370 -2.624 -7.722 1.00 0.00 H new ATOM 719 N PRO A 46 13.622 -1.963 -5.226 1.00 0.00 N ATOM 720 CA PRO A 46 12.186 -2.144 -4.919 1.00 0.00 C ATOM 721 C PRO A 46 11.807 -3.628 -4.900 1.00 0.00 C ATOM 722 O PRO A 46 10.800 -3.998 -4.339 1.00 0.00 O ATOM 723 CB PRO A 46 11.462 -1.387 -6.037 1.00 0.00 C ATOM 724 CG PRO A 46 12.523 -0.522 -6.770 1.00 0.00 C ATOM 725 CD PRO A 46 13.909 -0.926 -6.231 1.00 0.00 C ATOM 0 HA PRO A 46 11.918 -1.768 -3.932 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.989 -2.084 -6.729 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.671 -0.759 -5.627 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.470 -0.682 -7.847 1.00 0.00 H new ATOM 0 HG3 PRO A 46 12.339 0.538 -6.596 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.548 -1.309 -7.026 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.427 -0.075 -5.788 1.00 0.00 H new ATOM 733 N GLU A 47 12.601 -4.484 -5.482 1.00 0.00 N ATOM 734 CA GLU A 47 12.267 -5.934 -5.454 1.00 0.00 C ATOM 735 C GLU A 47 12.624 -6.495 -4.076 1.00 0.00 C ATOM 736 O GLU A 47 11.784 -6.647 -3.233 1.00 0.00 O ATOM 737 CB GLU A 47 13.077 -6.668 -6.522 1.00 0.00 C ATOM 738 CG GLU A 47 12.141 -7.199 -7.606 1.00 0.00 C ATOM 739 CD GLU A 47 12.973 -7.777 -8.752 1.00 0.00 C ATOM 740 OE1 GLU A 47 14.119 -8.120 -8.511 1.00 0.00 O ATOM 741 OE2 GLU A 47 12.451 -7.868 -9.850 1.00 0.00 O ATOM 0 H GLU A 47 13.462 -4.243 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 47 11.204 -6.071 -5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.812 -5.994 -6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.630 -7.492 -6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.486 -7.966 -7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.500 -6.398 -7.974 1.00 0.00 H new ATOM 748 N GLN A 48 13.863 -6.801 -3.830 1.00 0.00 N ATOM 749 CA GLN A 48 14.224 -7.344 -2.486 1.00 0.00 C ATOM 750 C GLN A 48 13.615 -6.462 -1.408 1.00 0.00 C ATOM 751 O GLN A 48 13.263 -6.914 -0.347 1.00 0.00 O ATOM 752 CB GLN A 48 15.738 -7.343 -2.298 1.00 0.00 C ATOM 753 CG GLN A 48 16.368 -8.424 -3.174 1.00 0.00 C ATOM 754 CD GLN A 48 17.823 -8.054 -3.467 1.00 0.00 C ATOM 755 OE1 GLN A 48 18.090 -7.108 -4.183 1.00 0.00 O ATOM 756 NE2 GLN A 48 18.783 -8.765 -2.943 1.00 0.00 N ATOM 0 H GLN A 48 14.636 -6.702 -4.488 1.00 0.00 H new ATOM 0 HA GLN A 48 13.846 -8.364 -2.413 1.00 0.00 H new ATOM 0 HB2 GLN A 48 16.146 -6.367 -2.560 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.984 -7.521 -1.251 1.00 0.00 H new ATOM 0 HG2 GLN A 48 16.321 -9.389 -2.670 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.811 -8.523 -4.106 1.00 0.00 H new ATOM 0 HE21 GLN A 48 18.560 -9.559 -2.342 1.00 0.00 H new ATOM 0 HE22 GLN A 48 19.756 -8.527 -3.134 1.00 0.00 H new ATOM 765 N ALA A 49 13.512 -5.202 -1.669 1.00 0.00 N ATOM 766 CA ALA A 49 12.953 -4.276 -0.658 1.00 0.00 C ATOM 767 C ALA A 49 11.479 -4.589 -0.405 1.00 0.00 C ATOM 768 O ALA A 49 11.098 -4.928 0.682 1.00 0.00 O ATOM 769 CB ALA A 49 13.079 -2.841 -1.160 1.00 0.00 C ATOM 0 H ALA A 49 13.793 -4.766 -2.547 1.00 0.00 H new ATOM 0 HA ALA A 49 13.508 -4.397 0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.668 -2.158 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.130 -2.605 -1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.529 -2.733 -2.095 1.00 0.00 H new ATOM 775 N VAL A 50 10.643 -4.458 -1.390 1.00 0.00 N ATOM 776 CA VAL A 50 9.188 -4.723 -1.172 1.00 0.00 C ATOM 777 C VAL A 50 8.938 -6.217 -0.959 1.00 0.00 C ATOM 778 O VAL A 50 8.197 -6.619 -0.086 1.00 0.00 O ATOM 779 CB VAL A 50 8.411 -4.219 -2.386 1.00 0.00 C ATOM 780 CG1 VAL A 50 8.538 -5.209 -3.550 1.00 0.00 C ATOM 781 CG2 VAL A 50 6.935 -4.064 -2.026 1.00 0.00 C ATOM 0 H VAL A 50 10.897 -4.180 -2.338 1.00 0.00 H new ATOM 0 HA VAL A 50 8.852 -4.199 -0.277 1.00 0.00 H new ATOM 0 HB VAL A 50 8.824 -3.256 -2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.979 -4.836 -4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.588 -5.319 -3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.138 -6.177 -3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.384 -3.704 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.533 -5.028 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.833 -3.349 -1.210 1.00 0.00 H new ATOM 791 N VAL A 51 9.552 -7.028 -1.758 1.00 0.00 N ATOM 792 CA VAL A 51 9.387 -8.504 -1.656 1.00 0.00 C ATOM 793 C VAL A 51 9.824 -8.995 -0.268 1.00 0.00 C ATOM 794 O VAL A 51 9.167 -9.811 0.344 1.00 0.00 O ATOM 795 CB VAL A 51 10.250 -9.158 -2.741 1.00 0.00 C ATOM 796 CG1 VAL A 51 11.698 -9.259 -2.264 1.00 0.00 C ATOM 797 CG2 VAL A 51 9.725 -10.555 -3.053 1.00 0.00 C ATOM 0 H VAL A 51 10.181 -6.726 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 51 8.340 -8.772 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 51 10.205 -8.545 -3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.305 -9.725 -3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.082 -8.261 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.741 -9.863 -1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.344 -11.012 -3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.759 -11.166 -2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.696 -10.487 -3.406 1.00 0.00 H new ATOM 807 N ARG A 52 10.927 -8.502 0.230 1.00 0.00 N ATOM 808 CA ARG A 52 11.400 -8.939 1.574 1.00 0.00 C ATOM 809 C ARG A 52 10.504 -8.301 2.632 1.00 0.00 C ATOM 810 O ARG A 52 10.006 -8.965 3.514 1.00 0.00 O ATOM 811 CB ARG A 52 12.855 -8.504 1.776 1.00 0.00 C ATOM 812 CG ARG A 52 13.755 -9.298 0.827 1.00 0.00 C ATOM 813 CD ARG A 52 14.704 -10.180 1.643 1.00 0.00 C ATOM 814 NE ARG A 52 14.624 -11.589 1.162 1.00 0.00 N ATOM 815 CZ ARG A 52 15.560 -12.443 1.477 1.00 0.00 C ATOM 816 NH1 ARG A 52 16.497 -12.106 2.320 1.00 0.00 N ATOM 817 NH2 ARG A 52 15.557 -13.635 0.948 1.00 0.00 N ATOM 0 H ARG A 52 11.520 -7.816 -0.237 1.00 0.00 H new ATOM 0 HA ARG A 52 11.351 -10.025 1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.957 -7.436 1.585 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.157 -8.673 2.809 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.148 -9.914 0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.326 -8.617 0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 52 15.726 -9.812 1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 52 14.442 -10.132 2.700 1.00 0.00 H new ATOM 0 HE ARG A 52 13.837 -11.886 0.586 1.00 0.00 H new ATOM 0 HH11 ARG A 52 16.499 -11.174 2.734 1.00 0.00 H new ATOM 0 HH12 ARG A 52 17.227 -12.775 2.565 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.824 -13.899 0.289 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.287 -14.303 1.193 1.00 0.00 H new ATOM 831 N GLU A 53 10.269 -7.021 2.530 1.00 0.00 N ATOM 832 CA GLU A 53 9.368 -6.342 3.512 1.00 0.00 C ATOM 833 C GLU A 53 7.998 -6.998 3.426 1.00 0.00 C ATOM 834 O GLU A 53 7.173 -6.884 4.312 1.00 0.00 O ATOM 835 CB GLU A 53 9.225 -4.866 3.164 1.00 0.00 C ATOM 836 CG GLU A 53 10.612 -4.256 3.051 1.00 0.00 C ATOM 837 CD GLU A 53 10.916 -3.432 4.300 1.00 0.00 C ATOM 838 OE1 GLU A 53 10.033 -3.305 5.133 1.00 0.00 O ATOM 839 OE2 GLU A 53 12.028 -2.942 4.405 1.00 0.00 O ATOM 0 H GLU A 53 10.661 -6.414 1.810 1.00 0.00 H new ATOM 0 HA GLU A 53 9.786 -6.431 4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.683 -4.750 2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.647 -4.351 3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.357 -5.043 2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.671 -3.625 2.164 1.00 0.00 H new ATOM 846 N LEU A 54 7.758 -7.682 2.349 1.00 0.00 N ATOM 847 CA LEU A 54 6.459 -8.357 2.151 1.00 0.00 C ATOM 848 C LEU A 54 6.432 -9.654 2.954 1.00 0.00 C ATOM 849 O LEU A 54 5.668 -9.810 3.884 1.00 0.00 O ATOM 850 CB LEU A 54 6.306 -8.658 0.664 1.00 0.00 C ATOM 851 CG LEU A 54 5.187 -7.790 0.080 1.00 0.00 C ATOM 852 CD1 LEU A 54 3.924 -7.955 0.921 1.00 0.00 C ATOM 853 CD2 LEU A 54 5.623 -6.325 0.099 1.00 0.00 C ATOM 0 H LEU A 54 8.422 -7.802 1.584 1.00 0.00 H new ATOM 0 HA LEU A 54 5.640 -7.722 2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.243 -8.460 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.076 -9.713 0.517 1.00 0.00 H new ATOM 0 HG LEU A 54 4.983 -8.098 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.127 -7.338 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.615 -9.000 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.126 -7.645 1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.829 -5.704 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.825 -6.019 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.527 -6.207 -0.499 1.00 0.00 H new ATOM 865 N GLN A 55 7.264 -10.584 2.597 1.00 0.00 N ATOM 866 CA GLN A 55 7.299 -11.881 3.341 1.00 0.00 C ATOM 867 C GLN A 55 7.458 -11.595 4.837 1.00 0.00 C ATOM 868 O GLN A 55 6.666 -12.033 5.648 1.00 0.00 O ATOM 869 CB GLN A 55 8.471 -12.769 2.871 1.00 0.00 C ATOM 870 CG GLN A 55 9.331 -12.039 1.834 1.00 0.00 C ATOM 871 CD GLN A 55 10.641 -12.799 1.616 1.00 0.00 C ATOM 872 OE1 GLN A 55 11.631 -12.527 2.265 1.00 0.00 O ATOM 873 NE2 GLN A 55 10.686 -13.750 0.722 1.00 0.00 N ATOM 0 H GLN A 55 7.924 -10.509 1.823 1.00 0.00 H new ATOM 0 HA GLN A 55 6.367 -12.412 3.147 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.086 -13.049 3.726 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.083 -13.693 2.442 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.788 -11.955 0.893 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.541 -11.024 2.172 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.854 -13.978 0.177 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.553 -14.265 0.568 1.00 0.00 H new ATOM 882 N GLU A 56 8.478 -10.867 5.211 1.00 0.00 N ATOM 883 CA GLU A 56 8.685 -10.559 6.655 1.00 0.00 C ATOM 884 C GLU A 56 7.346 -10.183 7.289 1.00 0.00 C ATOM 885 O GLU A 56 7.096 -10.456 8.446 1.00 0.00 O ATOM 886 CB GLU A 56 9.680 -9.400 6.806 1.00 0.00 C ATOM 887 CG GLU A 56 9.270 -8.219 5.933 1.00 0.00 C ATOM 888 CD GLU A 56 8.397 -7.251 6.739 1.00 0.00 C ATOM 889 OE1 GLU A 56 7.925 -7.648 7.792 1.00 0.00 O ATOM 890 OE2 GLU A 56 8.216 -6.125 6.290 1.00 0.00 O ATOM 0 H GLU A 56 9.175 -10.473 4.579 1.00 0.00 H new ATOM 0 HA GLU A 56 9.090 -11.437 7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.727 -9.088 7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.680 -9.734 6.528 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.157 -7.702 5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.723 -8.574 5.060 1.00 0.00 H new ATOM 897 N GLU A 57 6.483 -9.563 6.535 1.00 0.00 N ATOM 898 CA GLU A 57 5.156 -9.171 7.085 1.00 0.00 C ATOM 899 C GLU A 57 4.250 -10.403 7.172 1.00 0.00 C ATOM 900 O GLU A 57 4.227 -11.097 8.168 1.00 0.00 O ATOM 901 CB GLU A 57 4.512 -8.125 6.171 1.00 0.00 C ATOM 902 CG GLU A 57 4.653 -6.744 6.809 1.00 0.00 C ATOM 903 CD GLU A 57 4.698 -5.673 5.717 1.00 0.00 C ATOM 904 OE1 GLU A 57 3.851 -5.711 4.841 1.00 0.00 O ATOM 905 OE2 GLU A 57 5.579 -4.829 5.779 1.00 0.00 O ATOM 0 H GLU A 57 6.640 -9.310 5.559 1.00 0.00 H new ATOM 0 HA GLU A 57 5.288 -8.750 8.082 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.990 -8.137 5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.459 -8.360 6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.816 -6.556 7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.561 -6.702 7.411 1.00 0.00 H new ATOM 912 N VAL A 58 3.497 -10.680 6.141 1.00 0.00 N ATOM 913 CA VAL A 58 2.598 -11.858 6.172 1.00 0.00 C ATOM 914 C VAL A 58 3.407 -13.122 5.872 1.00 0.00 C ATOM 915 O VAL A 58 3.764 -13.864 6.767 1.00 0.00 O ATOM 916 CB VAL A 58 1.496 -11.653 5.138 1.00 0.00 C ATOM 917 CG1 VAL A 58 0.367 -12.646 5.392 1.00 0.00 C ATOM 918 CG2 VAL A 58 0.962 -10.226 5.275 1.00 0.00 C ATOM 0 H VAL A 58 3.469 -10.136 5.278 1.00 0.00 H new ATOM 0 HA VAL A 58 2.144 -11.972 7.157 1.00 0.00 H new ATOM 0 HB VAL A 58 1.890 -11.811 4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.420 -12.499 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.752 -13.663 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.039 -12.487 6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.172 -10.061 4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.562 -10.082 6.279 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.771 -9.517 5.102 1.00 0.00 H new ATOM 928 N GLY A 59 3.722 -13.372 4.628 1.00 0.00 N ATOM 929 CA GLY A 59 4.528 -14.582 4.305 1.00 0.00 C ATOM 930 C GLY A 59 3.840 -15.437 3.236 1.00 0.00 C ATOM 931 O GLY A 59 3.609 -16.612 3.433 1.00 0.00 O ATOM 0 H GLY A 59 3.458 -12.795 3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.515 -14.281 3.954 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.677 -15.174 5.208 1.00 0.00 H new ATOM 935 N ILE A 60 3.533 -14.877 2.094 1.00 0.00 N ATOM 936 CA ILE A 60 2.888 -15.707 1.024 1.00 0.00 C ATOM 937 C ILE A 60 3.915 -15.962 -0.104 1.00 0.00 C ATOM 938 O ILE A 60 5.072 -16.204 0.179 1.00 0.00 O ATOM 939 CB ILE A 60 1.610 -15.027 0.508 1.00 0.00 C ATOM 940 CG1 ILE A 60 1.853 -13.548 0.242 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.515 -15.149 1.567 1.00 0.00 C ATOM 942 CD1 ILE A 60 2.654 -13.396 -1.033 1.00 0.00 C ATOM 0 H ILE A 60 3.696 -13.899 1.855 1.00 0.00 H new ATOM 0 HA ILE A 60 2.584 -16.671 1.432 1.00 0.00 H new ATOM 0 HB ILE A 60 1.312 -15.515 -0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.903 -13.021 0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.389 -13.099 1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.395 -14.668 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.315 -16.202 1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.842 -14.664 2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.831 -12.338 -1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.609 -13.910 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.100 -13.830 -1.865 1.00 0.00 H new ATOM 954 N THR A 61 3.541 -15.941 -1.369 1.00 0.00 N ATOM 955 CA THR A 61 4.578 -16.219 -2.423 1.00 0.00 C ATOM 956 C THR A 61 4.163 -15.690 -3.818 1.00 0.00 C ATOM 957 O THR A 61 4.791 -14.783 -4.328 1.00 0.00 O ATOM 958 CB THR A 61 4.842 -17.733 -2.477 1.00 0.00 C ATOM 959 OG1 THR A 61 5.702 -18.089 -1.404 1.00 0.00 O ATOM 960 CG2 THR A 61 5.509 -18.107 -3.804 1.00 0.00 C ATOM 0 H THR A 61 2.598 -15.751 -1.708 1.00 0.00 H new ATOM 0 HA THR A 61 5.490 -15.687 -2.150 1.00 0.00 H new ATOM 0 HB THR A 61 3.895 -18.266 -2.394 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.867 -17.303 -0.842 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.691 -19.181 -3.830 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.855 -17.830 -4.631 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.457 -17.577 -3.897 1.00 0.00 H new ATOM 968 N PRO A 62 3.140 -16.270 -4.407 1.00 0.00 N ATOM 969 CA PRO A 62 2.667 -15.864 -5.747 1.00 0.00 C ATOM 970 C PRO A 62 2.638 -14.355 -5.870 1.00 0.00 C ATOM 971 O PRO A 62 3.394 -13.757 -6.606 1.00 0.00 O ATOM 972 CB PRO A 62 1.251 -16.440 -5.836 1.00 0.00 C ATOM 973 CG PRO A 62 1.065 -17.394 -4.635 1.00 0.00 C ATOM 974 CD PRO A 62 2.356 -17.345 -3.797 1.00 0.00 C ATOM 0 HA PRO A 62 3.316 -16.224 -6.545 1.00 0.00 H new ATOM 0 HB2 PRO A 62 0.509 -15.642 -5.811 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.112 -16.974 -6.776 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.207 -17.091 -4.035 1.00 0.00 H new ATOM 0 HG3 PRO A 62 0.870 -18.410 -4.979 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.143 -17.137 -2.749 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.889 -18.295 -3.831 1.00 0.00 H new ATOM 982 N GLN A 63 1.767 -13.775 -5.127 1.00 0.00 N ATOM 983 CA GLN A 63 1.594 -12.294 -5.082 1.00 0.00 C ATOM 984 C GLN A 63 1.953 -11.594 -6.395 1.00 0.00 C ATOM 985 O GLN A 63 2.348 -10.453 -6.340 1.00 0.00 O ATOM 986 CB GLN A 63 2.511 -11.724 -4.005 1.00 0.00 C ATOM 987 CG GLN A 63 3.955 -11.736 -4.529 1.00 0.00 C ATOM 988 CD GLN A 63 4.938 -12.274 -3.488 1.00 0.00 C ATOM 989 OE1 GLN A 63 4.549 -12.795 -2.476 1.00 0.00 O ATOM 990 NE2 GLN A 63 6.221 -12.167 -3.707 1.00 0.00 N ATOM 0 H GLN A 63 1.129 -14.282 -4.513 1.00 0.00 H new ATOM 0 HA GLN A 63 0.538 -12.115 -4.880 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.210 -10.708 -3.752 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.435 -12.316 -3.093 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.009 -12.348 -5.429 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.246 -10.725 -4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.557 -11.726 -4.563 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.887 -12.524 -3.022 1.00 0.00 H new ATOM 999 N HIS A 64 1.839 -12.237 -7.543 1.00 0.00 N ATOM 1000 CA HIS A 64 2.193 -11.574 -8.857 1.00 0.00 C ATOM 1001 C HIS A 64 2.329 -10.054 -8.663 1.00 0.00 C ATOM 1002 O HIS A 64 1.398 -9.299 -8.857 1.00 0.00 O ATOM 1003 CB HIS A 64 1.096 -11.875 -9.878 1.00 0.00 C ATOM 1004 CG HIS A 64 1.396 -11.163 -11.167 1.00 0.00 C ATOM 1005 ND1 HIS A 64 2.555 -10.632 -11.672 1.00 0.00 N flip ATOM 1006 CD2 HIS A 64 0.421 -10.922 -12.122 1.00 0.00 C flip ATOM 1007 CE1 HIS A 64 2.309 -10.068 -12.921 1.00 0.00 C flip ATOM 1008 NE2 HIS A 64 1.008 -10.270 -13.144 1.00 0.00 N flip ATOM 0 H HIS A 64 1.514 -13.200 -7.629 1.00 0.00 H new ATOM 0 HA HIS A 64 3.145 -11.964 -9.217 1.00 0.00 H new ATOM 0 HB2 HIS A 64 1.031 -12.949 -10.051 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.128 -11.556 -9.491 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.619 -11.205 -12.058 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.017 -9.574 -13.569 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.518 -9.967 -13.986 1.00 0.00 H new ATOM 1016 N PHE A 65 3.476 -9.629 -8.199 1.00 0.00 N ATOM 1017 CA PHE A 65 3.695 -8.183 -7.884 1.00 0.00 C ATOM 1018 C PHE A 65 3.893 -7.336 -9.143 1.00 0.00 C ATOM 1019 O PHE A 65 4.450 -7.773 -10.130 1.00 0.00 O ATOM 1020 CB PHE A 65 4.924 -8.065 -6.971 1.00 0.00 C ATOM 1021 CG PHE A 65 6.015 -8.988 -7.461 1.00 0.00 C ATOM 1022 CD1 PHE A 65 6.669 -8.710 -8.664 1.00 0.00 C ATOM 1023 CD2 PHE A 65 6.379 -10.115 -6.710 1.00 0.00 C ATOM 1024 CE1 PHE A 65 7.690 -9.552 -9.121 1.00 0.00 C ATOM 1025 CE2 PHE A 65 7.399 -10.961 -7.168 1.00 0.00 C ATOM 1026 CZ PHE A 65 8.055 -10.678 -8.372 1.00 0.00 C ATOM 0 H PHE A 65 4.281 -10.230 -8.022 1.00 0.00 H new ATOM 0 HA PHE A 65 2.804 -7.801 -7.385 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.283 -7.036 -6.960 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.653 -8.319 -5.946 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.386 -7.843 -9.243 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.874 -10.331 -5.780 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.196 -9.334 -10.050 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.679 -11.831 -6.592 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.843 -11.328 -8.723 1.00 0.00 H new ATOM 1036 N SER A 66 3.439 -6.109 -9.089 1.00 0.00 N ATOM 1037 CA SER A 66 3.584 -5.181 -10.244 1.00 0.00 C ATOM 1038 C SER A 66 3.722 -3.751 -9.703 1.00 0.00 C ATOM 1039 O SER A 66 3.226 -3.437 -8.642 1.00 0.00 O ATOM 1040 CB SER A 66 2.340 -5.278 -11.127 1.00 0.00 C ATOM 1041 OG SER A 66 1.999 -6.645 -11.308 1.00 0.00 O ATOM 0 H SER A 66 2.967 -5.708 -8.279 1.00 0.00 H new ATOM 0 HA SER A 66 4.463 -5.443 -10.833 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.510 -4.742 -10.666 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.527 -4.807 -12.092 1.00 0.00 H new ATOM 0 HG SER A 66 1.201 -6.711 -11.873 1.00 0.00 H new ATOM 1047 N LEU A 67 4.397 -2.882 -10.409 1.00 0.00 N ATOM 1048 CA LEU A 67 4.555 -1.481 -9.908 1.00 0.00 C ATOM 1049 C LEU A 67 3.289 -0.675 -10.211 1.00 0.00 C ATOM 1050 O LEU A 67 2.583 -0.261 -9.325 1.00 0.00 O ATOM 1051 CB LEU A 67 5.741 -0.817 -10.611 1.00 0.00 C ATOM 1052 CG LEU A 67 6.311 0.316 -9.747 1.00 0.00 C ATOM 1053 CD1 LEU A 67 6.990 1.336 -10.655 1.00 0.00 C ATOM 1054 CD2 LEU A 67 5.191 1.016 -8.970 1.00 0.00 C ATOM 0 H LEU A 67 4.844 -3.078 -11.305 1.00 0.00 H new ATOM 0 HA LEU A 67 4.726 -1.507 -8.832 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.516 -1.558 -10.808 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.425 -0.422 -11.577 1.00 0.00 H new ATOM 0 HG LEU A 67 7.025 -0.105 -9.039 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.399 2.146 -10.051 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.796 0.852 -11.207 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.261 1.740 -11.358 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.614 1.816 -8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.469 1.435 -9.671 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.692 0.295 -8.323 1.00 0.00 H new ATOM 1066 N PHE A 68 3.029 -0.442 -11.464 1.00 0.00 N ATOM 1067 CA PHE A 68 1.830 0.334 -11.895 1.00 0.00 C ATOM 1068 C PHE A 68 2.174 1.825 -11.881 1.00 0.00 C ATOM 1069 O PHE A 68 2.059 2.506 -12.881 1.00 0.00 O ATOM 1070 CB PHE A 68 0.622 0.018 -10.974 1.00 0.00 C ATOM 1071 CG PHE A 68 0.013 1.289 -10.417 1.00 0.00 C ATOM 1072 CD1 PHE A 68 -0.708 2.143 -11.260 1.00 0.00 C ATOM 1073 CD2 PHE A 68 0.180 1.617 -9.067 1.00 0.00 C ATOM 1074 CE1 PHE A 68 -1.263 3.324 -10.753 1.00 0.00 C ATOM 1075 CE2 PHE A 68 -0.375 2.797 -8.559 1.00 0.00 C ATOM 1076 CZ PHE A 68 -1.097 3.652 -9.402 1.00 0.00 C ATOM 0 H PHE A 68 3.615 -0.767 -12.233 1.00 0.00 H new ATOM 0 HA PHE A 68 1.546 0.049 -12.908 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.132 -0.535 -11.535 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.944 -0.624 -10.154 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.836 1.891 -12.302 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.737 0.959 -8.417 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.819 3.982 -11.404 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.247 3.049 -7.517 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.525 4.563 -9.010 1.00 0.00 H new ATOM 1086 N GLU A 69 2.601 2.323 -10.758 1.00 0.00 N ATOM 1087 CA GLU A 69 2.961 3.773 -10.659 1.00 0.00 C ATOM 1088 C GLU A 69 2.937 4.203 -9.196 1.00 0.00 C ATOM 1089 O GLU A 69 2.116 3.759 -8.428 1.00 0.00 O ATOM 1090 CB GLU A 69 1.961 4.623 -11.447 1.00 0.00 C ATOM 1091 CG GLU A 69 2.667 5.266 -12.644 1.00 0.00 C ATOM 1092 CD GLU A 69 3.094 6.689 -12.277 1.00 0.00 C ATOM 1093 OE1 GLU A 69 3.521 6.886 -11.151 1.00 0.00 O ATOM 1094 OE2 GLU A 69 2.985 7.558 -13.127 1.00 0.00 O ATOM 0 H GLU A 69 2.719 1.790 -9.896 1.00 0.00 H new ATOM 0 HA GLU A 69 3.959 3.917 -11.074 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.132 4.004 -11.790 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.537 5.394 -10.804 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.538 4.675 -12.927 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.000 5.285 -13.506 1.00 0.00 H new ATOM 1101 N LYS A 70 3.845 5.055 -8.807 1.00 0.00 N ATOM 1102 CA LYS A 70 3.897 5.496 -7.385 1.00 0.00 C ATOM 1103 C LYS A 70 3.821 7.022 -7.285 1.00 0.00 C ATOM 1104 O LYS A 70 3.893 7.726 -8.272 1.00 0.00 O ATOM 1105 CB LYS A 70 5.224 5.033 -6.796 1.00 0.00 C ATOM 1106 CG LYS A 70 6.357 5.843 -7.429 1.00 0.00 C ATOM 1107 CD LYS A 70 7.507 4.910 -7.797 1.00 0.00 C ATOM 1108 CE LYS A 70 8.523 4.899 -6.658 1.00 0.00 C ATOM 1109 NZ LYS A 70 9.528 5.976 -6.878 1.00 0.00 N ATOM 0 H LYS A 70 4.555 5.466 -9.414 1.00 0.00 H new ATOM 0 HA LYS A 70 3.052 5.070 -6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.223 5.167 -5.714 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.370 3.969 -6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.996 6.360 -8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.704 6.608 -6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.132 3.902 -7.976 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.981 5.243 -8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.017 5.048 -5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.018 3.929 -6.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.220 5.969 -6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.018 5.814 -7.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.048 6.898 -6.905 1.00 0.00 H new ATOM 1123 N LEU A 71 3.703 7.538 -6.085 1.00 0.00 N ATOM 1124 CA LEU A 71 3.654 9.018 -5.908 1.00 0.00 C ATOM 1125 C LEU A 71 4.803 9.460 -5.002 1.00 0.00 C ATOM 1126 O LEU A 71 5.539 8.653 -4.472 1.00 0.00 O ATOM 1127 CB LEU A 71 2.318 9.457 -5.277 1.00 0.00 C ATOM 1128 CG LEU A 71 1.933 8.565 -4.079 1.00 0.00 C ATOM 1129 CD1 LEU A 71 3.121 8.382 -3.128 1.00 0.00 C ATOM 1130 CD2 LEU A 71 0.785 9.233 -3.310 1.00 0.00 C ATOM 0 H LEU A 71 3.639 6.996 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 71 3.745 9.483 -6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.394 10.494 -4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.530 9.417 -6.029 1.00 0.00 H new ATOM 0 HG LEU A 71 1.631 7.588 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.824 7.749 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.946 7.912 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.439 9.354 -2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.505 8.610 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.107 10.211 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.074 9.353 -3.970 1.00 0.00 H new ATOM 1142 N GLU A 72 4.942 10.737 -4.799 1.00 0.00 N ATOM 1143 CA GLU A 72 6.017 11.244 -3.906 1.00 0.00 C ATOM 1144 C GLU A 72 5.557 12.580 -3.328 1.00 0.00 C ATOM 1145 O GLU A 72 5.855 13.634 -3.853 1.00 0.00 O ATOM 1146 CB GLU A 72 7.320 11.428 -4.690 1.00 0.00 C ATOM 1147 CG GLU A 72 8.513 11.089 -3.787 1.00 0.00 C ATOM 1148 CD GLU A 72 9.812 11.213 -4.587 1.00 0.00 C ATOM 1149 OE1 GLU A 72 10.047 10.364 -5.431 1.00 0.00 O ATOM 1150 OE2 GLU A 72 10.549 12.153 -4.339 1.00 0.00 O ATOM 0 H GLU A 72 4.353 11.457 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 72 6.207 10.530 -3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.322 10.784 -5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.400 12.455 -5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.536 11.762 -2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.410 10.077 -3.395 1.00 0.00 H new ATOM 1157 N TYR A 73 4.824 12.540 -2.250 1.00 0.00 N ATOM 1158 CA TYR A 73 4.333 13.796 -1.635 1.00 0.00 C ATOM 1159 C TYR A 73 5.471 14.394 -0.820 1.00 0.00 C ATOM 1160 O TYR A 73 6.306 13.683 -0.298 1.00 0.00 O ATOM 1161 CB TYR A 73 3.134 13.485 -0.733 1.00 0.00 C ATOM 1162 CG TYR A 73 2.032 14.483 -0.993 1.00 0.00 C ATOM 1163 CD1 TYR A 73 1.664 14.791 -2.308 1.00 0.00 C ATOM 1164 CD2 TYR A 73 1.375 15.097 0.080 1.00 0.00 C ATOM 1165 CE1 TYR A 73 0.640 15.712 -2.550 1.00 0.00 C ATOM 1166 CE2 TYR A 73 0.350 16.021 -0.163 1.00 0.00 C ATOM 1167 CZ TYR A 73 -0.018 16.328 -1.479 1.00 0.00 C ATOM 1168 OH TYR A 73 -1.029 17.237 -1.720 1.00 0.00 O ATOM 0 H TYR A 73 4.545 11.685 -1.769 1.00 0.00 H new ATOM 0 HA TYR A 73 4.014 14.505 -2.399 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.775 12.474 -0.924 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.434 13.524 0.314 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.171 14.317 -3.136 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.658 14.859 1.095 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.356 15.948 -3.565 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.156 16.496 0.664 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.380 17.570 -0.868 1.00 0.00 H new ATOM 1178 N GLU A 74 5.538 15.689 -0.718 1.00 0.00 N ATOM 1179 CA GLU A 74 6.656 16.287 0.049 1.00 0.00 C ATOM 1180 C GLU A 74 6.124 16.998 1.294 1.00 0.00 C ATOM 1181 O GLU A 74 4.935 17.159 1.475 1.00 0.00 O ATOM 1182 CB GLU A 74 7.400 17.291 -0.833 1.00 0.00 C ATOM 1183 CG GLU A 74 8.906 17.176 -0.588 1.00 0.00 C ATOM 1184 CD GLU A 74 9.580 18.509 -0.919 1.00 0.00 C ATOM 1185 OE1 GLU A 74 8.997 19.277 -1.667 1.00 0.00 O ATOM 1186 OE2 GLU A 74 10.668 18.739 -0.418 1.00 0.00 O ATOM 0 H GLU A 74 4.877 16.350 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 74 7.337 15.494 0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.177 17.102 -1.883 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.062 18.304 -0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.097 16.908 0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.326 16.381 -1.204 1.00 0.00 H new ATOM 1193 N PHE A 75 7.012 17.426 2.146 1.00 0.00 N ATOM 1194 CA PHE A 75 6.600 18.134 3.390 1.00 0.00 C ATOM 1195 C PHE A 75 7.618 19.253 3.661 1.00 0.00 C ATOM 1196 O PHE A 75 8.522 19.452 2.872 1.00 0.00 O ATOM 1197 CB PHE A 75 6.589 17.126 4.545 1.00 0.00 C ATOM 1198 CG PHE A 75 5.225 17.094 5.202 1.00 0.00 C ATOM 1199 CD1 PHE A 75 4.063 17.290 4.442 1.00 0.00 C ATOM 1200 CD2 PHE A 75 5.127 16.866 6.580 1.00 0.00 C ATOM 1201 CE1 PHE A 75 2.807 17.259 5.062 1.00 0.00 C ATOM 1202 CE2 PHE A 75 3.871 16.835 7.198 1.00 0.00 C ATOM 1203 CZ PHE A 75 2.712 17.031 6.441 1.00 0.00 C ATOM 0 H PHE A 75 8.019 17.314 2.032 1.00 0.00 H new ATOM 0 HA PHE A 75 5.605 18.566 3.289 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.844 16.134 4.173 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.348 17.396 5.280 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.136 17.465 3.379 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.021 16.714 7.167 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.912 17.411 4.477 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.797 16.659 8.261 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.744 17.007 6.919 1.00 0.00 H new ATOM 1213 N PRO A 76 7.456 19.958 4.755 1.00 0.00 N ATOM 1214 CA PRO A 76 8.376 21.055 5.107 1.00 0.00 C ATOM 1215 C PRO A 76 9.809 20.523 5.186 1.00 0.00 C ATOM 1216 O PRO A 76 10.763 21.238 4.954 1.00 0.00 O ATOM 1217 CB PRO A 76 7.892 21.548 6.476 1.00 0.00 C ATOM 1218 CG PRO A 76 6.575 20.800 6.803 1.00 0.00 C ATOM 1219 CD PRO A 76 6.368 19.729 5.723 1.00 0.00 C ATOM 0 HA PRO A 76 8.380 21.859 4.371 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.643 21.353 7.241 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.727 22.625 6.459 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.630 20.342 7.791 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.735 21.494 6.820 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.419 18.726 6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.391 19.827 5.251 1.00 0.00 H new ATOM 1227 N ASP A 77 9.958 19.268 5.501 1.00 0.00 N ATOM 1228 CA ASP A 77 11.317 18.665 5.587 1.00 0.00 C ATOM 1229 C ASP A 77 11.159 17.152 5.723 1.00 0.00 C ATOM 1230 O ASP A 77 11.897 16.495 6.431 1.00 0.00 O ATOM 1231 CB ASP A 77 12.058 19.222 6.804 1.00 0.00 C ATOM 1232 CG ASP A 77 11.287 18.868 8.078 1.00 0.00 C ATOM 1233 OD1 ASP A 77 10.324 18.128 7.978 1.00 0.00 O ATOM 1234 OD2 ASP A 77 11.676 19.345 9.133 1.00 0.00 O ATOM 0 H ASP A 77 9.190 18.628 5.704 1.00 0.00 H new ATOM 0 HA ASP A 77 11.892 18.905 4.693 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.066 18.809 6.850 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.160 20.304 6.717 1.00 0.00 H new ATOM 1239 N ARG A 78 10.183 16.602 5.054 1.00 0.00 N ATOM 1240 CA ARG A 78 9.943 15.138 5.139 1.00 0.00 C ATOM 1241 C ARG A 78 9.658 14.582 3.738 1.00 0.00 C ATOM 1242 O ARG A 78 8.546 14.640 3.253 1.00 0.00 O ATOM 1243 CB ARG A 78 8.737 14.890 6.047 1.00 0.00 C ATOM 1244 CG ARG A 78 9.086 13.827 7.089 1.00 0.00 C ATOM 1245 CD ARG A 78 10.307 14.278 7.897 1.00 0.00 C ATOM 1246 NE ARG A 78 9.960 14.353 9.347 1.00 0.00 N ATOM 1247 CZ ARG A 78 8.783 14.778 9.722 1.00 0.00 C ATOM 1248 NH1 ARG A 78 8.538 16.058 9.775 1.00 0.00 N ATOM 1249 NH2 ARG A 78 7.853 13.922 10.049 1.00 0.00 N ATOM 0 H ARG A 78 9.538 17.110 4.448 1.00 0.00 H new ATOM 0 HA ARG A 78 10.822 14.640 5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.446 15.816 6.542 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.883 14.564 5.453 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.238 13.663 7.754 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.294 12.876 6.598 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.131 13.580 7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.647 15.252 7.545 1.00 0.00 H new ATOM 0 HE ARG A 78 10.645 14.071 10.048 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.265 16.727 9.524 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.619 16.390 10.068 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.045 12.921 10.012 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.934 14.254 10.342 1.00 0.00 H new ATOM 1263 N HIS A 79 10.657 14.050 3.087 1.00 0.00 N ATOM 1264 CA HIS A 79 10.450 13.491 1.717 1.00 0.00 C ATOM 1265 C HIS A 79 9.878 12.073 1.824 1.00 0.00 C ATOM 1266 O HIS A 79 10.512 11.182 2.352 1.00 0.00 O ATOM 1267 CB HIS A 79 11.794 13.446 0.987 1.00 0.00 C ATOM 1268 CG HIS A 79 11.827 14.514 -0.070 1.00 0.00 C ATOM 1269 ND1 HIS A 79 12.079 14.230 -1.403 1.00 0.00 N ATOM 1270 CD2 HIS A 79 11.642 15.873 -0.005 1.00 0.00 C ATOM 1271 CE1 HIS A 79 12.042 15.393 -2.080 1.00 0.00 C ATOM 1272 NE2 HIS A 79 11.778 16.426 -1.276 1.00 0.00 N ATOM 0 H HIS A 79 11.610 13.978 3.444 1.00 0.00 H new ATOM 0 HA HIS A 79 9.752 14.120 1.164 1.00 0.00 H new ATOM 0 HB2 HIS A 79 12.609 13.595 1.695 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.941 12.466 0.533 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.424 16.429 0.895 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.206 15.480 -3.144 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.694 17.409 -1.537 1.00 0.00 H new ATOM 1280 N ILE A 80 8.680 11.854 1.341 1.00 0.00 N ATOM 1281 CA ILE A 80 8.082 10.489 1.441 1.00 0.00 C ATOM 1282 C ILE A 80 7.872 9.888 0.044 1.00 0.00 C ATOM 1283 O ILE A 80 7.509 10.568 -0.895 1.00 0.00 O ATOM 1284 CB ILE A 80 6.708 10.554 2.139 1.00 0.00 C ATOM 1285 CG1 ILE A 80 6.833 10.881 3.639 1.00 0.00 C ATOM 1286 CG2 ILE A 80 6.026 9.194 2.012 1.00 0.00 C ATOM 1287 CD1 ILE A 80 8.067 11.738 3.926 1.00 0.00 C ATOM 0 H ILE A 80 8.095 12.555 0.886 1.00 0.00 H new ATOM 0 HA ILE A 80 8.770 9.870 2.016 1.00 0.00 H new ATOM 0 HB ILE A 80 6.132 11.345 1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.938 11.406 3.974 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.891 9.955 4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.053 9.228 2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.893 8.951 0.958 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.644 8.431 2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.123 11.949 4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.963 11.201 3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.995 12.675 3.374 1.00 0.00 H new ATOM 1299 N THR A 81 8.050 8.599 -0.072 1.00 0.00 N ATOM 1300 CA THR A 81 7.818 7.903 -1.367 1.00 0.00 C ATOM 1301 C THR A 81 6.917 6.699 -1.088 1.00 0.00 C ATOM 1302 O THR A 81 7.039 6.056 -0.065 1.00 0.00 O ATOM 1303 CB THR A 81 9.141 7.411 -1.940 1.00 0.00 C ATOM 1304 OG1 THR A 81 10.180 8.305 -1.567 1.00 0.00 O ATOM 1305 CG2 THR A 81 9.045 7.340 -3.465 1.00 0.00 C ATOM 0 H THR A 81 8.351 7.991 0.690 1.00 0.00 H new ATOM 0 HA THR A 81 7.357 8.583 -2.083 1.00 0.00 H new ATOM 0 HB THR A 81 9.360 6.418 -1.547 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.983 8.112 -2.095 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.992 6.988 -3.873 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.249 6.651 -3.748 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.825 8.331 -3.862 1.00 0.00 H new ATOM 1313 N LEU A 82 6.005 6.386 -1.964 1.00 0.00 N ATOM 1314 CA LEU A 82 5.112 5.223 -1.693 1.00 0.00 C ATOM 1315 C LEU A 82 5.119 4.249 -2.875 1.00 0.00 C ATOM 1316 O LEU A 82 4.219 4.248 -3.691 1.00 0.00 O ATOM 1317 CB LEU A 82 3.688 5.726 -1.453 1.00 0.00 C ATOM 1318 CG LEU A 82 3.010 4.854 -0.397 1.00 0.00 C ATOM 1319 CD1 LEU A 82 2.649 5.710 0.818 1.00 0.00 C ATOM 1320 CD2 LEU A 82 1.737 4.244 -0.986 1.00 0.00 C ATOM 0 H LEU A 82 5.839 6.875 -2.843 1.00 0.00 H new ATOM 0 HA LEU A 82 5.476 4.698 -0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.709 6.765 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.120 5.698 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 82 3.689 4.058 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.165 5.088 1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.555 6.148 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.969 6.505 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.251 3.621 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.059 5.041 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.993 3.634 -1.853 1.00 0.00 H new ATOM 1332 N TRP A 83 6.115 3.409 -2.966 1.00 0.00 N ATOM 1333 CA TRP A 83 6.151 2.427 -4.091 1.00 0.00 C ATOM 1334 C TRP A 83 4.818 1.680 -4.148 1.00 0.00 C ATOM 1335 O TRP A 83 4.517 0.865 -3.299 1.00 0.00 O ATOM 1336 CB TRP A 83 7.275 1.419 -3.859 1.00 0.00 C ATOM 1337 CG TRP A 83 8.592 2.103 -4.009 1.00 0.00 C ATOM 1338 CD1 TRP A 83 9.212 2.803 -3.035 1.00 0.00 C ATOM 1339 CD2 TRP A 83 9.456 2.168 -5.179 1.00 0.00 C ATOM 1340 NE1 TRP A 83 10.407 3.295 -3.532 1.00 0.00 N ATOM 1341 CE2 TRP A 83 10.600 2.930 -4.849 1.00 0.00 C ATOM 1342 CE3 TRP A 83 9.359 1.645 -6.482 1.00 0.00 C ATOM 1343 CZ2 TRP A 83 11.613 3.167 -5.778 1.00 0.00 C ATOM 1344 CZ3 TRP A 83 10.377 1.882 -7.420 1.00 0.00 C ATOM 1345 CH2 TRP A 83 11.503 2.642 -7.068 1.00 0.00 C ATOM 0 H TRP A 83 6.900 3.359 -2.316 1.00 0.00 H new ATOM 0 HA TRP A 83 6.324 2.957 -5.028 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.189 0.985 -2.863 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.196 0.598 -4.572 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.838 2.954 -2.033 1.00 0.00 H new ATOM 0 HE1 TRP A 83 11.064 3.858 -2.991 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.497 1.058 -6.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 12.477 3.753 -5.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 10.293 1.477 -8.418 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.283 2.821 -7.793 1.00 0.00 H new ATOM 1356 N PHE A 84 4.018 1.948 -5.140 1.00 0.00 N ATOM 1357 CA PHE A 84 2.709 1.249 -5.245 1.00 0.00 C ATOM 1358 C PHE A 84 2.886 -0.062 -6.005 1.00 0.00 C ATOM 1359 O PHE A 84 2.419 -0.204 -7.108 1.00 0.00 O ATOM 1360 CB PHE A 84 1.722 2.127 -6.012 1.00 0.00 C ATOM 1361 CG PHE A 84 0.969 3.008 -5.045 1.00 0.00 C ATOM 1362 CD1 PHE A 84 1.535 4.212 -4.607 1.00 0.00 C ATOM 1363 CD2 PHE A 84 -0.295 2.621 -4.584 1.00 0.00 C ATOM 1364 CE1 PHE A 84 0.836 5.028 -3.708 1.00 0.00 C ATOM 1365 CE2 PHE A 84 -0.992 3.437 -3.685 1.00 0.00 C ATOM 1366 CZ PHE A 84 -0.427 4.641 -3.248 1.00 0.00 C ATOM 0 H PHE A 84 4.214 2.620 -5.882 1.00 0.00 H new ATOM 0 HA PHE A 84 2.332 1.049 -4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.254 2.740 -6.739 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.024 1.504 -6.571 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.510 4.511 -4.962 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.732 1.693 -4.922 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.272 5.956 -3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.966 3.137 -3.328 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.966 5.271 -2.556 1.00 0.00 H new ATOM 1376 N TRP A 85 3.523 -1.033 -5.419 1.00 0.00 N ATOM 1377 CA TRP A 85 3.685 -2.336 -6.121 1.00 0.00 C ATOM 1378 C TRP A 85 2.321 -3.034 -6.188 1.00 0.00 C ATOM 1379 O TRP A 85 2.003 -3.866 -5.362 1.00 0.00 O ATOM 1380 CB TRP A 85 4.661 -3.218 -5.335 1.00 0.00 C ATOM 1381 CG TRP A 85 6.028 -3.117 -5.929 1.00 0.00 C ATOM 1382 CD1 TRP A 85 7.021 -2.329 -5.461 1.00 0.00 C ATOM 1383 CD2 TRP A 85 6.571 -3.816 -7.086 1.00 0.00 C ATOM 1384 NE1 TRP A 85 8.140 -2.498 -6.257 1.00 0.00 N ATOM 1385 CE2 TRP A 85 7.912 -3.405 -7.274 1.00 0.00 C ATOM 1386 CE3 TRP A 85 6.034 -4.757 -7.982 1.00 0.00 C ATOM 1387 CZ2 TRP A 85 8.692 -3.911 -8.315 1.00 0.00 C ATOM 1388 CZ3 TRP A 85 6.815 -5.269 -9.031 1.00 0.00 C ATOM 1389 CH2 TRP A 85 8.141 -4.847 -9.197 1.00 0.00 C ATOM 0 H TRP A 85 3.938 -0.983 -4.488 1.00 0.00 H new ATOM 0 HA TRP A 85 4.071 -2.170 -7.127 1.00 0.00 H new ATOM 0 HB2 TRP A 85 4.685 -2.908 -4.290 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.323 -4.254 -5.352 1.00 0.00 H new ATOM 0 HD1 TRP A 85 6.952 -1.674 -4.605 1.00 0.00 H new ATOM 0 HE1 TRP A 85 9.025 -2.012 -6.111 1.00 0.00 H new ATOM 0 HE3 TRP A 85 5.013 -5.089 -7.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 9.713 -3.582 -8.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.392 -5.991 -9.713 1.00 0.00 H new ATOM 0 HH2 TRP A 85 8.737 -5.244 -10.005 1.00 0.00 H new ATOM 1400 N LEU A 86 1.499 -2.710 -7.151 1.00 0.00 N ATOM 1401 CA LEU A 86 0.172 -3.375 -7.212 1.00 0.00 C ATOM 1402 C LEU A 86 0.329 -4.825 -7.649 1.00 0.00 C ATOM 1403 O LEU A 86 0.878 -5.122 -8.692 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.734 -2.655 -8.207 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.535 -1.576 -7.481 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -2.241 -2.176 -6.260 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -0.581 -0.464 -7.039 1.00 0.00 C ATOM 0 H LEU A 86 1.687 -2.026 -7.884 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.274 -3.339 -6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.136 -2.207 -9.000 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.410 -3.367 -8.681 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.291 -1.168 -8.152 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.809 -1.398 -5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.918 -2.967 -6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.499 -2.590 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.143 0.312 -6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.173 -0.877 -6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.093 -0.034 -7.914 1.00 0.00 H new ATOM 1419 N VAL A 87 -0.178 -5.727 -6.865 1.00 0.00 N ATOM 1420 CA VAL A 87 -0.097 -7.169 -7.231 1.00 0.00 C ATOM 1421 C VAL A 87 -1.532 -7.631 -7.524 1.00 0.00 C ATOM 1422 O VAL A 87 -2.452 -6.840 -7.471 1.00 0.00 O ATOM 1423 CB VAL A 87 0.553 -7.978 -6.077 1.00 0.00 C ATOM 1424 CG1 VAL A 87 1.225 -7.012 -5.091 1.00 0.00 C ATOM 1425 CG2 VAL A 87 -0.497 -8.816 -5.334 1.00 0.00 C ATOM 0 H VAL A 87 -0.648 -5.531 -5.981 1.00 0.00 H new ATOM 0 HA VAL A 87 0.529 -7.329 -8.109 1.00 0.00 H new ATOM 0 HB VAL A 87 1.295 -8.653 -6.504 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.682 -7.579 -4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.993 -6.438 -5.610 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.478 -6.332 -4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.016 -9.373 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.257 -8.158 -4.914 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.965 -9.513 -6.029 1.00 0.00 H new ATOM 1435 N GLU A 88 -1.753 -8.876 -7.842 1.00 0.00 N ATOM 1436 CA GLU A 88 -3.163 -9.283 -8.138 1.00 0.00 C ATOM 1437 C GLU A 88 -3.396 -10.785 -7.918 1.00 0.00 C ATOM 1438 O GLU A 88 -4.460 -11.291 -8.218 1.00 0.00 O ATOM 1439 CB GLU A 88 -3.492 -8.932 -9.591 1.00 0.00 C ATOM 1440 CG GLU A 88 -3.320 -7.425 -9.808 1.00 0.00 C ATOM 1441 CD GLU A 88 -3.803 -7.048 -11.209 1.00 0.00 C ATOM 1442 OE1 GLU A 88 -3.309 -7.629 -12.161 1.00 0.00 O ATOM 1443 OE2 GLU A 88 -4.660 -6.184 -11.308 1.00 0.00 O ATOM 0 H GLU A 88 -1.048 -9.610 -7.910 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.814 -8.744 -7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.838 -9.484 -10.266 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.514 -9.229 -9.825 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.885 -6.873 -9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.273 -7.147 -9.687 1.00 0.00 H new ATOM 1450 N ARG A 89 -2.446 -11.513 -7.401 1.00 0.00 N ATOM 1451 CA ARG A 89 -2.693 -12.972 -7.188 1.00 0.00 C ATOM 1452 C ARG A 89 -1.829 -13.500 -6.042 1.00 0.00 C ATOM 1453 O ARG A 89 -0.974 -14.335 -6.226 1.00 0.00 O ATOM 1454 CB ARG A 89 -2.393 -13.739 -8.481 1.00 0.00 C ATOM 1455 CG ARG A 89 -0.882 -13.862 -8.686 1.00 0.00 C ATOM 1456 CD ARG A 89 -0.471 -15.328 -8.541 1.00 0.00 C ATOM 1457 NE ARG A 89 -0.418 -15.964 -9.887 1.00 0.00 N ATOM 1458 CZ ARG A 89 0.147 -17.131 -10.036 1.00 0.00 C ATOM 1459 NH1 ARG A 89 -0.428 -18.198 -9.556 1.00 0.00 N ATOM 1460 NH2 ARG A 89 1.288 -17.229 -10.662 1.00 0.00 N ATOM 0 H ARG A 89 -1.526 -11.173 -7.121 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.739 -13.119 -6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.843 -14.731 -8.436 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.841 -13.223 -9.330 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.606 -13.491 -9.673 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.353 -13.250 -7.955 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.502 -15.398 -8.055 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.183 -15.855 -7.906 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.823 -15.487 -10.692 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.318 -18.120 -9.065 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.013 -19.111 -9.672 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.738 -16.393 -11.035 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.729 -18.141 -10.778 1.00 0.00 H new ATOM 1474 N TRP A 90 -2.054 -13.028 -4.850 1.00 0.00 N ATOM 1475 CA TRP A 90 -1.246 -13.516 -3.700 1.00 0.00 C ATOM 1476 C TRP A 90 -1.682 -14.931 -3.316 1.00 0.00 C ATOM 1477 O TRP A 90 -2.772 -15.364 -3.629 1.00 0.00 O ATOM 1478 CB TRP A 90 -1.452 -12.596 -2.499 1.00 0.00 C ATOM 1479 CG TRP A 90 -2.877 -12.676 -2.046 1.00 0.00 C ATOM 1480 CD1 TRP A 90 -3.421 -13.731 -1.395 1.00 0.00 C ATOM 1481 CD2 TRP A 90 -3.950 -11.692 -2.191 1.00 0.00 C ATOM 1482 NE1 TRP A 90 -4.750 -13.459 -1.131 1.00 0.00 N ATOM 1483 CE2 TRP A 90 -5.124 -12.219 -1.600 1.00 0.00 C ATOM 1484 CE3 TRP A 90 -4.020 -10.408 -2.770 1.00 0.00 C ATOM 1485 CZ2 TRP A 90 -6.320 -11.503 -1.582 1.00 0.00 C ATOM 1486 CZ3 TRP A 90 -5.229 -9.686 -2.751 1.00 0.00 C ATOM 1487 CH2 TRP A 90 -6.374 -10.234 -2.158 1.00 0.00 C ATOM 0 H TRP A 90 -2.760 -12.328 -4.622 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.195 -13.522 -3.989 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.785 -12.885 -1.687 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.202 -11.569 -2.767 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -2.901 -14.638 -1.126 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -5.379 -14.100 -0.647 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -3.143 -9.977 -3.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -7.201 -11.929 -1.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -5.274 -8.703 -3.197 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -7.298 -9.674 -2.147 1.00 0.00 H new ATOM 1498 N GLU A 91 -0.836 -15.650 -2.632 1.00 0.00 N ATOM 1499 CA GLU A 91 -1.204 -17.040 -2.217 1.00 0.00 C ATOM 1500 C GLU A 91 -2.141 -16.977 -1.006 1.00 0.00 C ATOM 1501 O GLU A 91 -1.927 -16.208 -0.098 1.00 0.00 O ATOM 1502 CB GLU A 91 0.082 -17.813 -1.856 1.00 0.00 C ATOM 1503 CG GLU A 91 -0.135 -18.728 -0.638 1.00 0.00 C ATOM 1504 CD GLU A 91 0.909 -19.846 -0.643 1.00 0.00 C ATOM 1505 OE1 GLU A 91 2.046 -19.572 -0.294 1.00 0.00 O ATOM 1506 OE2 GLU A 91 0.555 -20.959 -0.994 1.00 0.00 O ATOM 0 H GLU A 91 0.091 -15.340 -2.342 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.715 -17.552 -3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 91 0.400 -18.411 -2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 91 0.885 -17.107 -1.644 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.058 -18.149 0.282 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.138 -19.153 -0.664 1.00 0.00 H new ATOM 1513 N GLY A 92 -3.162 -17.802 -1.000 1.00 0.00 N ATOM 1514 CA GLY A 92 -4.137 -17.850 0.139 1.00 0.00 C ATOM 1515 C GLY A 92 -4.287 -16.487 0.822 1.00 0.00 C ATOM 1516 O GLY A 92 -5.217 -15.750 0.561 1.00 0.00 O ATOM 0 H GLY A 92 -3.365 -18.459 -1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.108 -18.180 -0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.805 -18.587 0.870 1.00 0.00 H new ATOM 1520 N GLU A 93 -3.388 -16.153 1.706 1.00 0.00 N ATOM 1521 CA GLU A 93 -3.486 -14.846 2.415 1.00 0.00 C ATOM 1522 C GLU A 93 -2.768 -13.761 1.608 1.00 0.00 C ATOM 1523 O GLU A 93 -1.919 -14.053 0.789 1.00 0.00 O ATOM 1524 CB GLU A 93 -2.857 -14.948 3.812 1.00 0.00 C ATOM 1525 CG GLU A 93 -1.648 -15.884 3.780 1.00 0.00 C ATOM 1526 CD GLU A 93 -2.062 -17.273 4.268 1.00 0.00 C ATOM 1527 OE1 GLU A 93 -3.236 -17.460 4.538 1.00 0.00 O ATOM 1528 OE2 GLU A 93 -1.195 -18.127 4.365 1.00 0.00 O ATOM 0 H GLU A 93 -2.589 -16.730 1.968 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.539 -14.584 2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.552 -13.959 4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.594 -15.318 4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.251 -15.947 2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.852 -15.488 4.411 1.00 0.00 H new ATOM 1535 N PRO A 94 -3.142 -12.535 1.868 1.00 0.00 N ATOM 1536 CA PRO A 94 -2.567 -11.360 1.184 1.00 0.00 C ATOM 1537 C PRO A 94 -1.130 -11.123 1.652 1.00 0.00 C ATOM 1538 O PRO A 94 -0.468 -12.019 2.136 1.00 0.00 O ATOM 1539 CB PRO A 94 -3.442 -10.196 1.643 1.00 0.00 C ATOM 1540 CG PRO A 94 -4.214 -10.681 2.890 1.00 0.00 C ATOM 1541 CD PRO A 94 -4.173 -12.212 2.873 1.00 0.00 C ATOM 0 HA PRO A 94 -2.543 -11.483 0.101 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.832 -9.325 1.881 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -4.132 -9.896 0.854 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -3.758 -10.293 3.801 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.243 -10.322 2.870 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.914 -12.614 3.852 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.141 -12.633 2.601 1.00 0.00 H new ATOM 1549 N TRP A 95 -0.648 -9.915 1.524 1.00 0.00 N ATOM 1550 CA TRP A 95 0.736 -9.624 1.971 1.00 0.00 C ATOM 1551 C TRP A 95 1.063 -8.138 1.750 1.00 0.00 C ATOM 1552 O TRP A 95 1.032 -7.637 0.648 1.00 0.00 O ATOM 1553 CB TRP A 95 1.703 -10.513 1.181 1.00 0.00 C ATOM 1554 CG TRP A 95 1.880 -9.974 -0.202 1.00 0.00 C ATOM 1555 CD1 TRP A 95 0.900 -9.443 -0.966 1.00 0.00 C ATOM 1556 CD2 TRP A 95 3.091 -9.929 -1.002 1.00 0.00 C ATOM 1557 NE1 TRP A 95 1.447 -9.020 -2.161 1.00 0.00 N ATOM 1558 CE2 TRP A 95 2.796 -9.307 -2.234 1.00 0.00 C ATOM 1559 CE3 TRP A 95 4.408 -10.350 -0.773 1.00 0.00 C ATOM 1560 CZ2 TRP A 95 3.776 -9.104 -3.207 1.00 0.00 C ATOM 1561 CZ3 TRP A 95 5.401 -10.155 -1.749 1.00 0.00 C ATOM 1562 CH2 TRP A 95 5.084 -9.530 -2.964 1.00 0.00 C ATOM 0 H TRP A 95 -1.155 -9.123 1.130 1.00 0.00 H new ATOM 0 HA TRP A 95 0.835 -9.835 3.036 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.666 -10.557 1.689 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.319 -11.532 1.136 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.140 -9.363 -0.688 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.920 -8.553 -2.899 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.662 -10.828 0.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.525 -8.622 -4.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.411 -10.488 -1.563 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.850 -9.378 -3.710 1.00 0.00 H new ATOM 1573 N GLY A 96 1.384 -7.413 2.784 1.00 0.00 N ATOM 1574 CA GLY A 96 1.721 -5.977 2.567 1.00 0.00 C ATOM 1575 C GLY A 96 1.253 -5.110 3.734 1.00 0.00 C ATOM 1576 O GLY A 96 1.990 -4.275 4.220 1.00 0.00 O ATOM 0 H GLY A 96 1.428 -7.741 3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.798 -5.870 2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.257 -5.629 1.644 1.00 0.00 H new ATOM 1580 N LYS A 97 0.031 -5.268 4.167 1.00 0.00 N ATOM 1581 CA LYS A 97 -0.477 -4.414 5.282 1.00 0.00 C ATOM 1582 C LYS A 97 0.606 -4.206 6.328 1.00 0.00 C ATOM 1583 O LYS A 97 1.076 -5.129 6.963 1.00 0.00 O ATOM 1584 CB LYS A 97 -1.708 -5.043 5.944 1.00 0.00 C ATOM 1585 CG LYS A 97 -1.573 -6.565 6.003 1.00 0.00 C ATOM 1586 CD LYS A 97 -0.725 -6.967 7.202 1.00 0.00 C ATOM 1587 CE LYS A 97 -1.482 -8.002 8.037 1.00 0.00 C ATOM 1588 NZ LYS A 97 -0.659 -8.389 9.216 1.00 0.00 N ATOM 0 H LYS A 97 -0.635 -5.947 3.800 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.761 -3.451 4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.829 -4.645 6.951 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.605 -4.774 5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.559 -7.023 6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.116 -6.934 5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.226 -7.380 6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.496 -6.091 7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.437 -7.591 8.366 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.705 -8.881 7.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.174 -9.092 9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.241 -8.797 8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.468 -7.548 9.797 1.00 0.00 H new ATOM 1602 N GLU A 98 0.985 -2.979 6.519 1.00 0.00 N ATOM 1603 CA GLU A 98 2.011 -2.665 7.533 1.00 0.00 C ATOM 1604 C GLU A 98 1.334 -2.822 8.901 1.00 0.00 C ATOM 1605 O GLU A 98 0.492 -3.682 9.068 1.00 0.00 O ATOM 1606 CB GLU A 98 2.484 -1.231 7.288 1.00 0.00 C ATOM 1607 CG GLU A 98 3.864 -1.265 6.631 1.00 0.00 C ATOM 1608 CD GLU A 98 4.924 -1.665 7.661 1.00 0.00 C ATOM 1609 OE1 GLU A 98 4.732 -1.364 8.828 1.00 0.00 O ATOM 1610 OE2 GLU A 98 5.910 -2.267 7.264 1.00 0.00 O ATOM 0 H GLU A 98 0.622 -2.174 6.009 1.00 0.00 H new ATOM 0 HA GLU A 98 2.881 -3.320 7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.775 -0.706 6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.529 -0.684 8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.864 -1.973 5.803 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.101 -0.286 6.214 1.00 0.00 H new ATOM 1617 N GLY A 99 1.643 -2.013 9.875 1.00 0.00 N ATOM 1618 CA GLY A 99 0.946 -2.169 11.180 1.00 0.00 C ATOM 1619 C GLY A 99 -0.571 -2.150 10.933 1.00 0.00 C ATOM 1620 O GLY A 99 -1.351 -2.577 11.762 1.00 0.00 O ATOM 0 H GLY A 99 2.334 -1.265 9.827 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.240 -3.105 11.656 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.229 -1.364 11.858 1.00 0.00 H new ATOM 1624 N GLN A 100 -0.990 -1.647 9.796 1.00 0.00 N ATOM 1625 CA GLN A 100 -2.447 -1.581 9.475 1.00 0.00 C ATOM 1626 C GLN A 100 -3.047 -2.994 9.372 1.00 0.00 C ATOM 1627 O GLN A 100 -2.328 -3.968 9.281 1.00 0.00 O ATOM 1628 CB GLN A 100 -2.623 -0.819 8.147 1.00 0.00 C ATOM 1629 CG GLN A 100 -2.646 -1.783 6.952 1.00 0.00 C ATOM 1630 CD GLN A 100 -3.002 -1.003 5.685 1.00 0.00 C ATOM 1631 OE1 GLN A 100 -3.750 -1.478 4.853 1.00 0.00 O ATOM 1632 NE2 GLN A 100 -2.498 0.187 5.504 1.00 0.00 N ATOM 0 H GLN A 100 -0.376 -1.276 9.071 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.974 -1.058 10.273 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.550 -0.246 8.173 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.810 -0.104 8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.674 -2.263 6.837 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.374 -2.576 7.123 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.870 0.586 6.202 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.732 0.718 4.665 1.00 0.00 H new ATOM 1641 N PRO A 101 -4.362 -3.052 9.387 1.00 0.00 N ATOM 1642 CA PRO A 101 -5.104 -4.323 9.289 1.00 0.00 C ATOM 1643 C PRO A 101 -4.944 -4.914 7.893 1.00 0.00 C ATOM 1644 O PRO A 101 -4.452 -6.011 7.718 1.00 0.00 O ATOM 1645 CB PRO A 101 -6.575 -3.941 9.510 1.00 0.00 C ATOM 1646 CG PRO A 101 -6.636 -2.405 9.702 1.00 0.00 C ATOM 1647 CD PRO A 101 -5.213 -1.856 9.507 1.00 0.00 C ATOM 0 HA PRO A 101 -4.747 -5.060 10.008 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.182 -4.245 8.657 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.976 -4.453 10.385 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.322 -1.956 8.983 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.009 -2.158 10.696 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.148 -1.233 8.615 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -4.909 -1.237 10.351 1.00 0.00 H new ATOM 1655 N GLY A 102 -5.381 -4.193 6.899 1.00 0.00 N ATOM 1656 CA GLY A 102 -5.285 -4.704 5.509 1.00 0.00 C ATOM 1657 C GLY A 102 -6.373 -5.750 5.297 1.00 0.00 C ATOM 1658 O GLY A 102 -6.443 -6.735 6.003 1.00 0.00 O ATOM 0 H GLY A 102 -5.802 -3.269 6.993 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.402 -3.887 4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.302 -5.141 5.334 1.00 0.00 H new ATOM 1662 N GLU A 103 -7.231 -5.538 4.343 1.00 0.00 N ATOM 1663 CA GLU A 103 -8.322 -6.529 4.102 1.00 0.00 C ATOM 1664 C GLU A 103 -8.818 -6.422 2.660 1.00 0.00 C ATOM 1665 O GLU A 103 -9.060 -5.340 2.162 1.00 0.00 O ATOM 1666 CB GLU A 103 -9.476 -6.246 5.067 1.00 0.00 C ATOM 1667 CG GLU A 103 -9.818 -4.757 5.033 1.00 0.00 C ATOM 1668 CD GLU A 103 -10.625 -4.393 6.279 1.00 0.00 C ATOM 1669 OE1 GLU A 103 -11.829 -4.581 6.257 1.00 0.00 O ATOM 1670 OE2 GLU A 103 -10.023 -3.930 7.236 1.00 0.00 O ATOM 0 H GLU A 103 -7.229 -4.729 3.722 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.940 -7.536 4.268 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.349 -6.837 4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.199 -6.543 6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.905 -4.164 4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.390 -4.524 4.135 1.00 0.00 H new ATOM 1677 N TRP A 104 -8.987 -7.535 1.981 1.00 0.00 N ATOM 1678 CA TRP A 104 -9.487 -7.465 0.577 1.00 0.00 C ATOM 1679 C TRP A 104 -10.672 -6.509 0.570 1.00 0.00 C ATOM 1680 O TRP A 104 -11.529 -6.566 1.428 1.00 0.00 O ATOM 1681 CB TRP A 104 -9.928 -8.853 0.083 1.00 0.00 C ATOM 1682 CG TRP A 104 -9.014 -9.900 0.643 1.00 0.00 C ATOM 1683 CD1 TRP A 104 -7.666 -9.908 0.512 1.00 0.00 C ATOM 1684 CD2 TRP A 104 -9.356 -11.086 1.419 1.00 0.00 C ATOM 1685 NE1 TRP A 104 -7.159 -11.023 1.159 1.00 0.00 N ATOM 1686 CE2 TRP A 104 -8.162 -11.778 1.733 1.00 0.00 C ATOM 1687 CE3 TRP A 104 -10.572 -11.622 1.878 1.00 0.00 C ATOM 1688 CZ2 TRP A 104 -8.175 -12.960 2.475 1.00 0.00 C ATOM 1689 CZ3 TRP A 104 -10.590 -12.811 2.624 1.00 0.00 C ATOM 1690 CH2 TRP A 104 -9.393 -13.478 2.922 1.00 0.00 C ATOM 0 H TRP A 104 -8.802 -8.473 2.336 1.00 0.00 H new ATOM 0 HA TRP A 104 -8.697 -7.117 -0.089 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -10.955 -9.050 0.391 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -9.910 -8.885 -1.006 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.082 -9.166 -0.012 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -6.167 -11.257 1.206 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -11.499 -11.115 1.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -7.251 -13.470 2.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -11.530 -13.214 2.970 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -9.413 -14.392 3.497 1.00 0.00 H new ATOM 1701 N MET A 105 -10.720 -5.611 -0.364 1.00 0.00 N ATOM 1702 CA MET A 105 -11.842 -4.639 -0.377 1.00 0.00 C ATOM 1703 C MET A 105 -12.642 -4.809 -1.654 1.00 0.00 C ATOM 1704 O MET A 105 -12.152 -4.554 -2.729 1.00 0.00 O ATOM 1705 CB MET A 105 -11.267 -3.215 -0.305 1.00 0.00 C ATOM 1706 CG MET A 105 -12.388 -2.168 -0.259 1.00 0.00 C ATOM 1707 SD MET A 105 -13.739 -2.717 0.816 1.00 0.00 S ATOM 1708 CE MET A 105 -15.100 -2.079 -0.193 1.00 0.00 C ATOM 0 H MET A 105 -10.038 -5.506 -1.115 1.00 0.00 H new ATOM 0 HA MET A 105 -12.496 -4.812 0.477 1.00 0.00 H new ATOM 0 HB2 MET A 105 -10.638 -3.118 0.580 1.00 0.00 H new ATOM 0 HB3 MET A 105 -10.630 -3.033 -1.171 1.00 0.00 H new ATOM 0 HG2 MET A 105 -11.991 -1.220 0.104 1.00 0.00 H new ATOM 0 HG3 MET A 105 -12.767 -1.991 -1.265 1.00 0.00 H new ATOM 0 HE1 MET A 105 -15.747 -1.454 0.422 1.00 0.00 H new ATOM 0 HE2 MET A 105 -14.697 -1.486 -1.014 1.00 0.00 H new ATOM 0 HE3 MET A 105 -15.676 -2.912 -0.595 1.00 0.00 H new ATOM 1718 N SER A 106 -13.872 -5.233 -1.544 1.00 0.00 N ATOM 1719 CA SER A 106 -14.707 -5.404 -2.763 1.00 0.00 C ATOM 1720 C SER A 106 -15.243 -4.032 -3.167 1.00 0.00 C ATOM 1721 O SER A 106 -16.434 -3.793 -3.195 1.00 0.00 O ATOM 1722 CB SER A 106 -15.871 -6.350 -2.466 1.00 0.00 C ATOM 1723 OG SER A 106 -16.367 -6.877 -3.690 1.00 0.00 O ATOM 0 H SER A 106 -14.332 -5.467 -0.664 1.00 0.00 H new ATOM 0 HA SER A 106 -14.113 -5.830 -3.571 1.00 0.00 H new ATOM 0 HB2 SER A 106 -15.541 -7.159 -1.815 1.00 0.00 H new ATOM 0 HB3 SER A 106 -16.662 -5.818 -1.938 1.00 0.00 H new ATOM 0 HG SER A 106 -15.785 -7.605 -3.993 1.00 0.00 H new ATOM 1729 N LEU A 107 -14.355 -3.130 -3.467 1.00 0.00 N ATOM 1730 CA LEU A 107 -14.753 -1.759 -3.859 1.00 0.00 C ATOM 1731 C LEU A 107 -15.234 -1.772 -5.305 1.00 0.00 C ATOM 1732 O LEU A 107 -16.273 -1.234 -5.621 1.00 0.00 O ATOM 1733 CB LEU A 107 -13.522 -0.854 -3.725 1.00 0.00 C ATOM 1734 CG LEU A 107 -13.805 0.545 -4.270 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -12.752 1.507 -3.715 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -13.718 0.537 -5.801 1.00 0.00 C ATOM 0 H LEU A 107 -13.348 -3.292 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 107 -15.559 -1.392 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -13.229 -0.787 -2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -12.683 -1.294 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 107 -14.805 0.859 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -12.940 2.511 -4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -12.805 1.515 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.760 1.181 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -13.921 1.538 -6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -12.719 0.228 -6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -14.453 -0.160 -6.204 1.00 0.00 H new ATOM 1748 N VAL A 108 -14.461 -2.370 -6.179 1.00 0.00 N ATOM 1749 CA VAL A 108 -14.817 -2.429 -7.632 1.00 0.00 C ATOM 1750 C VAL A 108 -14.235 -1.213 -8.342 1.00 0.00 C ATOM 1751 O VAL A 108 -14.760 -0.121 -8.266 1.00 0.00 O ATOM 1752 CB VAL A 108 -16.334 -2.456 -7.829 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -16.636 -2.726 -9.297 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -16.945 -3.562 -6.966 1.00 0.00 C ATOM 0 H VAL A 108 -13.581 -2.829 -5.942 1.00 0.00 H new ATOM 0 HA VAL A 108 -14.402 -3.345 -8.052 1.00 0.00 H new ATOM 0 HB VAL A 108 -16.762 -1.498 -7.534 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -17.715 -2.747 -9.449 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -16.199 -1.937 -9.909 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -16.210 -3.687 -9.585 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -18.026 -3.579 -7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -16.525 -4.525 -7.258 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -16.720 -3.371 -5.917 1.00 0.00 H new ATOM 1764 N GLY A 109 -13.145 -1.394 -9.031 1.00 0.00 N ATOM 1765 CA GLY A 109 -12.520 -0.249 -9.738 1.00 0.00 C ATOM 1766 C GLY A 109 -12.452 0.942 -8.785 1.00 0.00 C ATOM 1767 O GLY A 109 -13.321 1.791 -8.773 1.00 0.00 O ATOM 0 H GLY A 109 -12.661 -2.286 -9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -11.520 -0.517 -10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.100 0.009 -10.624 1.00 0.00 H new ATOM 1771 N LEU A 110 -11.427 0.992 -7.978 1.00 0.00 N ATOM 1772 CA LEU A 110 -11.271 2.112 -7.001 1.00 0.00 C ATOM 1773 C LEU A 110 -11.738 3.433 -7.621 1.00 0.00 C ATOM 1774 O LEU A 110 -11.871 3.559 -8.822 1.00 0.00 O ATOM 1775 CB LEU A 110 -9.811 2.240 -6.612 1.00 0.00 C ATOM 1776 CG LEU A 110 -9.643 1.864 -5.145 1.00 0.00 C ATOM 1777 CD1 LEU A 110 -8.398 0.993 -4.988 1.00 0.00 C ATOM 1778 CD2 LEU A 110 -9.491 3.138 -4.313 1.00 0.00 C ATOM 0 H LEU A 110 -10.681 0.297 -7.953 1.00 0.00 H new ATOM 0 HA LEU A 110 -11.878 1.896 -6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.198 1.591 -7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.467 3.261 -6.779 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.517 1.310 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.274 0.721 -3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.509 0.089 -5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.522 1.546 -5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.370 2.874 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.615 3.691 -4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -10.379 3.758 -4.432 1.00 0.00 H new ATOM 1790 N ASN A 111 -12.002 4.416 -6.804 1.00 0.00 N ATOM 1791 CA ASN A 111 -12.485 5.718 -7.345 1.00 0.00 C ATOM 1792 C ASN A 111 -11.826 6.902 -6.623 1.00 0.00 C ATOM 1793 O ASN A 111 -12.017 8.040 -7.002 1.00 0.00 O ATOM 1794 CB ASN A 111 -13.996 5.785 -7.119 1.00 0.00 C ATOM 1795 CG ASN A 111 -14.665 6.483 -8.306 1.00 0.00 C ATOM 1796 OD1 ASN A 111 -14.058 7.304 -8.963 1.00 0.00 O ATOM 1797 ND2 ASN A 111 -15.900 6.188 -8.611 1.00 0.00 N ATOM 0 H ASN A 111 -11.905 4.374 -5.790 1.00 0.00 H new ATOM 0 HA ASN A 111 -12.232 5.781 -8.403 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -14.401 4.780 -7.001 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.212 6.326 -6.198 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -16.354 6.647 -9.401 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -16.411 5.498 -8.060 1.00 0.00 H new ATOM 1804 N ALA A 112 -11.092 6.653 -5.567 1.00 0.00 N ATOM 1805 CA ALA A 112 -10.462 7.770 -4.795 1.00 0.00 C ATOM 1806 C ALA A 112 -11.508 8.357 -3.843 1.00 0.00 C ATOM 1807 O ALA A 112 -11.188 9.023 -2.878 1.00 0.00 O ATOM 1808 CB ALA A 112 -9.955 8.861 -5.741 1.00 0.00 C ATOM 0 H ALA A 112 -10.901 5.719 -5.204 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.612 7.385 -4.232 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -9.501 9.664 -5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.213 8.439 -6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -10.790 9.259 -6.318 1.00 0.00 H new ATOM 1814 N ASP A 113 -12.761 8.089 -4.101 1.00 0.00 N ATOM 1815 CA ASP A 113 -13.846 8.587 -3.225 1.00 0.00 C ATOM 1816 C ASP A 113 -13.697 7.928 -1.860 1.00 0.00 C ATOM 1817 O ASP A 113 -14.192 8.408 -0.858 1.00 0.00 O ATOM 1818 CB ASP A 113 -15.182 8.181 -3.843 1.00 0.00 C ATOM 1819 CG ASP A 113 -16.105 9.399 -3.913 1.00 0.00 C ATOM 1820 OD1 ASP A 113 -15.938 10.192 -4.825 1.00 0.00 O ATOM 1821 OD2 ASP A 113 -16.963 9.520 -3.053 1.00 0.00 O ATOM 0 H ASP A 113 -13.077 7.536 -4.897 1.00 0.00 H new ATOM 0 HA ASP A 113 -13.800 9.671 -3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.024 7.774 -4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.646 7.394 -3.248 1.00 0.00 H new ATOM 1826 N ASP A 114 -13.013 6.821 -1.828 1.00 0.00 N ATOM 1827 CA ASP A 114 -12.811 6.097 -0.550 1.00 0.00 C ATOM 1828 C ASP A 114 -11.375 6.320 -0.068 1.00 0.00 C ATOM 1829 O ASP A 114 -11.048 6.079 1.076 1.00 0.00 O ATOM 1830 CB ASP A 114 -13.062 4.609 -0.788 1.00 0.00 C ATOM 1831 CG ASP A 114 -14.535 4.296 -0.513 1.00 0.00 C ATOM 1832 OD1 ASP A 114 -15.296 5.234 -0.333 1.00 0.00 O ATOM 1833 OD2 ASP A 114 -14.877 3.126 -0.487 1.00 0.00 O ATOM 0 H ASP A 114 -12.582 6.384 -2.643 1.00 0.00 H new ATOM 0 HA ASP A 114 -13.500 6.465 0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -12.807 4.345 -1.814 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -12.423 4.012 -0.137 1.00 0.00 H new ATOM 1838 N PHE A 115 -10.514 6.792 -0.933 1.00 0.00 N ATOM 1839 CA PHE A 115 -9.103 7.044 -0.521 1.00 0.00 C ATOM 1840 C PHE A 115 -8.974 8.489 -0.031 1.00 0.00 C ATOM 1841 O PHE A 115 -9.436 9.400 -0.691 1.00 0.00 O ATOM 1842 CB PHE A 115 -8.166 6.869 -1.719 1.00 0.00 C ATOM 1843 CG PHE A 115 -7.536 5.498 -1.693 1.00 0.00 C ATOM 1844 CD1 PHE A 115 -8.273 4.380 -2.093 1.00 0.00 C ATOM 1845 CD2 PHE A 115 -6.206 5.351 -1.281 1.00 0.00 C ATOM 1846 CE1 PHE A 115 -7.682 3.111 -2.077 1.00 0.00 C ATOM 1847 CE2 PHE A 115 -5.614 4.085 -1.266 1.00 0.00 C ATOM 1848 CZ PHE A 115 -6.352 2.963 -1.664 1.00 0.00 C ATOM 0 H PHE A 115 -10.728 7.013 -1.905 1.00 0.00 H new ATOM 0 HA PHE A 115 -8.837 6.340 0.267 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -8.721 7.004 -2.647 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.390 7.634 -1.698 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -9.298 4.495 -2.414 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.637 6.216 -0.975 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.252 2.246 -2.383 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.588 3.972 -0.948 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.896 1.984 -1.652 1.00 0.00 H new ATOM 1858 N PRO A 116 -8.329 8.669 1.091 1.00 0.00 N ATOM 1859 CA PRO A 116 -8.115 10.012 1.643 1.00 0.00 C ATOM 1860 C PRO A 116 -7.469 10.892 0.558 1.00 0.00 C ATOM 1861 O PRO A 116 -6.527 10.477 -0.086 1.00 0.00 O ATOM 1862 CB PRO A 116 -7.172 9.790 2.834 1.00 0.00 C ATOM 1863 CG PRO A 116 -7.028 8.261 3.043 1.00 0.00 C ATOM 1864 CD PRO A 116 -7.769 7.566 1.891 1.00 0.00 C ATOM 0 HA PRO A 116 -9.030 10.514 1.957 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.199 10.243 2.641 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.571 10.263 3.731 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.977 7.973 3.052 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.448 7.964 4.004 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.092 6.950 1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -8.554 6.908 2.264 1.00 0.00 H new ATOM 1872 N PRO A 117 -8.015 12.069 0.365 1.00 0.00 N ATOM 1873 CA PRO A 117 -7.527 13.008 -0.667 1.00 0.00 C ATOM 1874 C PRO A 117 -6.021 13.267 -0.548 1.00 0.00 C ATOM 1875 O PRO A 117 -5.383 13.671 -1.498 1.00 0.00 O ATOM 1876 CB PRO A 117 -8.321 14.296 -0.432 1.00 0.00 C ATOM 1877 CG PRO A 117 -9.388 13.999 0.654 1.00 0.00 C ATOM 1878 CD PRO A 117 -9.152 12.567 1.161 1.00 0.00 C ATOM 0 HA PRO A 117 -7.671 12.604 -1.669 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -7.659 15.100 -0.109 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -8.797 14.626 -1.356 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -9.309 14.713 1.474 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -10.392 14.098 0.241 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.923 12.557 2.227 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -10.037 11.946 1.019 1.00 0.00 H new ATOM 1886 N ALA A 118 -5.441 13.047 0.599 1.00 0.00 N ATOM 1887 CA ALA A 118 -3.976 13.295 0.738 1.00 0.00 C ATOM 1888 C ALA A 118 -3.219 12.502 -0.329 1.00 0.00 C ATOM 1889 O ALA A 118 -2.251 12.966 -0.896 1.00 0.00 O ATOM 1890 CB ALA A 118 -3.504 12.842 2.118 1.00 0.00 C ATOM 0 H ALA A 118 -5.911 12.710 1.439 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.783 14.361 0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -2.434 13.025 2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.039 13.400 2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -3.702 11.777 2.239 1.00 0.00 H new ATOM 1896 N ASN A 119 -3.653 11.303 -0.596 1.00 0.00 N ATOM 1897 CA ASN A 119 -2.965 10.457 -1.613 1.00 0.00 C ATOM 1898 C ASN A 119 -3.680 10.584 -2.957 1.00 0.00 C ATOM 1899 O ASN A 119 -3.931 9.610 -3.630 1.00 0.00 O ATOM 1900 CB ASN A 119 -3.018 9.008 -1.150 1.00 0.00 C ATOM 1901 CG ASN A 119 -4.475 8.583 -0.996 1.00 0.00 C ATOM 1902 OD1 ASN A 119 -5.264 8.737 -1.906 1.00 0.00 O ATOM 1903 ND2 ASN A 119 -4.870 8.059 0.130 1.00 0.00 N ATOM 0 H ASN A 119 -4.461 10.868 -0.151 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.930 10.780 -1.727 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -2.513 8.365 -1.871 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.492 8.897 -0.202 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -5.843 7.778 0.248 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -4.206 7.930 0.893 1.00 0.00 H new ATOM 1910 N GLU A 120 -4.013 11.777 -3.348 1.00 0.00 N ATOM 1911 CA GLU A 120 -4.724 11.980 -4.642 1.00 0.00 C ATOM 1912 C GLU A 120 -3.832 11.712 -5.875 1.00 0.00 C ATOM 1913 O GLU A 120 -4.338 11.281 -6.888 1.00 0.00 O ATOM 1914 CB GLU A 120 -5.224 13.418 -4.699 1.00 0.00 C ATOM 1915 CG GLU A 120 -6.670 13.471 -4.203 1.00 0.00 C ATOM 1916 CD GLU A 120 -7.451 14.503 -5.019 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -6.951 14.911 -6.055 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -8.535 14.865 -4.596 1.00 0.00 O ATOM 0 H GLU A 120 -3.823 12.631 -2.824 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.544 11.263 -4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.593 14.059 -4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -5.164 13.796 -5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.135 12.489 -4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -6.694 13.734 -3.146 1.00 0.00 H new ATOM 1925 N PRO A 121 -2.550 11.995 -5.793 1.00 0.00 N ATOM 1926 CA PRO A 121 -1.646 11.796 -6.946 1.00 0.00 C ATOM 1927 C PRO A 121 -1.673 10.360 -7.481 1.00 0.00 C ATOM 1928 O PRO A 121 -1.776 10.146 -8.673 1.00 0.00 O ATOM 1929 CB PRO A 121 -0.253 12.162 -6.416 1.00 0.00 C ATOM 1930 CG PRO A 121 -0.428 12.755 -4.998 1.00 0.00 C ATOM 1931 CD PRO A 121 -1.890 12.538 -4.586 1.00 0.00 C ATOM 0 HA PRO A 121 -1.950 12.411 -7.793 1.00 0.00 H new ATOM 0 HB2 PRO A 121 0.388 11.281 -6.385 1.00 0.00 H new ATOM 0 HB3 PRO A 121 0.229 12.884 -7.075 1.00 0.00 H new ATOM 0 HG2 PRO A 121 0.246 12.268 -4.293 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -0.182 13.817 -4.993 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -1.965 11.844 -3.749 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -2.354 13.472 -4.269 1.00 0.00 H new ATOM 1939 N VAL A 122 -1.571 9.375 -6.640 1.00 0.00 N ATOM 1940 CA VAL A 122 -1.579 7.979 -7.150 1.00 0.00 C ATOM 1941 C VAL A 122 -3.011 7.435 -7.128 1.00 0.00 C ATOM 1942 O VAL A 122 -3.398 6.666 -7.983 1.00 0.00 O ATOM 1943 CB VAL A 122 -0.653 7.127 -6.282 1.00 0.00 C ATOM 1944 CG1 VAL A 122 -1.180 5.694 -6.178 1.00 0.00 C ATOM 1945 CG2 VAL A 122 0.743 7.106 -6.909 1.00 0.00 C ATOM 0 H VAL A 122 -1.483 9.473 -5.629 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.219 7.949 -8.179 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.611 7.559 -5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.507 5.103 -5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -2.174 5.703 -5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.235 5.253 -7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.409 6.500 -6.295 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.686 6.680 -7.911 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.130 8.123 -6.969 1.00 0.00 H new ATOM 1955 N ILE A 123 -3.803 7.829 -6.171 1.00 0.00 N ATOM 1956 CA ILE A 123 -5.203 7.332 -6.144 1.00 0.00 C ATOM 1957 C ILE A 123 -5.919 7.911 -7.362 1.00 0.00 C ATOM 1958 O ILE A 123 -6.913 7.388 -7.824 1.00 0.00 O ATOM 1959 CB ILE A 123 -5.894 7.775 -4.849 1.00 0.00 C ATOM 1960 CG1 ILE A 123 -5.580 6.762 -3.741 1.00 0.00 C ATOM 1961 CG2 ILE A 123 -7.412 7.845 -5.057 1.00 0.00 C ATOM 1962 CD1 ILE A 123 -4.069 6.691 -3.505 1.00 0.00 C ATOM 0 H ILE A 123 -3.545 8.465 -5.416 1.00 0.00 H new ATOM 0 HA ILE A 123 -5.228 6.243 -6.175 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.529 8.763 -4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -6.086 7.050 -2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -5.959 5.779 -4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -7.892 8.161 -4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.638 8.562 -5.846 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.786 6.862 -5.343 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -3.857 5.969 -2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.571 6.381 -4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.701 7.673 -3.206 1.00 0.00 H new ATOM 1974 N ALA A 124 -5.390 8.976 -7.899 1.00 0.00 N ATOM 1975 CA ALA A 124 -5.997 9.588 -9.105 1.00 0.00 C ATOM 1976 C ALA A 124 -6.012 8.529 -10.194 1.00 0.00 C ATOM 1977 O ALA A 124 -6.853 8.510 -11.071 1.00 0.00 O ATOM 1978 CB ALA A 124 -5.137 10.772 -9.549 1.00 0.00 C ATOM 0 H ALA A 124 -4.557 9.449 -7.548 1.00 0.00 H new ATOM 0 HA ALA A 124 -7.008 9.941 -8.901 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.576 11.228 -10.436 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.090 11.509 -8.747 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.130 10.424 -9.781 1.00 0.00 H new ATOM 1984 N LYS A 125 -5.060 7.649 -10.126 1.00 0.00 N ATOM 1985 CA LYS A 125 -4.948 6.559 -11.130 1.00 0.00 C ATOM 1986 C LYS A 125 -5.920 5.417 -10.809 1.00 0.00 C ATOM 1987 O LYS A 125 -6.507 4.837 -11.699 1.00 0.00 O ATOM 1988 CB LYS A 125 -3.512 6.047 -11.125 1.00 0.00 C ATOM 1989 CG LYS A 125 -2.609 7.140 -11.688 1.00 0.00 C ATOM 1990 CD LYS A 125 -2.903 7.323 -13.180 1.00 0.00 C ATOM 1991 CE LYS A 125 -1.840 6.604 -14.009 1.00 0.00 C ATOM 1992 NZ LYS A 125 -1.246 7.557 -14.988 1.00 0.00 N ATOM 0 H LYS A 125 -4.340 7.638 -9.404 1.00 0.00 H new ATOM 0 HA LYS A 125 -5.206 6.944 -12.116 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.206 5.787 -10.112 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -3.430 5.141 -11.725 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.777 8.076 -11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.562 6.873 -11.542 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -3.891 6.927 -13.417 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -2.916 8.384 -13.430 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -1.063 6.205 -13.357 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -2.283 5.757 -14.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -0.522 7.068 -15.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.991 7.918 -15.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -0.809 8.351 -14.478 1.00 0.00 H new ATOM 2006 N LEU A 126 -6.118 5.086 -9.557 1.00 0.00 N ATOM 2007 CA LEU A 126 -7.083 3.988 -9.247 1.00 0.00 C ATOM 2008 C LEU A 126 -8.467 4.472 -9.655 1.00 0.00 C ATOM 2009 O LEU A 126 -9.356 3.708 -9.972 1.00 0.00 O ATOM 2010 CB LEU A 126 -7.083 3.658 -7.752 1.00 0.00 C ATOM 2011 CG LEU A 126 -5.714 3.120 -7.280 1.00 0.00 C ATOM 2012 CD1 LEU A 126 -4.649 3.223 -8.382 1.00 0.00 C ATOM 2013 CD2 LEU A 126 -5.261 3.942 -6.075 1.00 0.00 C ATOM 0 H LEU A 126 -5.664 5.518 -8.752 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.799 3.085 -9.787 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -7.337 4.552 -7.183 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.855 2.917 -7.544 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.829 2.067 -7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.701 2.834 -8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.964 2.641 -9.248 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.525 4.266 -8.671 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.295 3.576 -5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.170 4.989 -6.362 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.994 3.848 -5.274 1.00 0.00 H new ATOM 2025 N LYS A 127 -8.639 5.752 -9.680 1.00 0.00 N ATOM 2026 CA LYS A 127 -9.941 6.310 -10.109 1.00 0.00 C ATOM 2027 C LYS A 127 -10.235 5.738 -11.484 1.00 0.00 C ATOM 2028 O LYS A 127 -11.359 5.440 -11.839 1.00 0.00 O ATOM 2029 CB LYS A 127 -9.804 7.819 -10.213 1.00 0.00 C ATOM 2030 CG LYS A 127 -9.148 8.336 -8.938 1.00 0.00 C ATOM 2031 CD LYS A 127 -9.820 9.643 -8.508 1.00 0.00 C ATOM 2032 CE LYS A 127 -9.772 10.645 -9.663 1.00 0.00 C ATOM 2033 NZ LYS A 127 -10.966 10.452 -10.534 1.00 0.00 N ATOM 0 H LYS A 127 -7.933 6.441 -9.421 1.00 0.00 H new ATOM 0 HA LYS A 127 -10.737 6.064 -9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -9.203 8.085 -11.083 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -10.783 8.279 -10.349 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -9.235 7.593 -8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -8.084 8.501 -9.106 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.854 9.455 -8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -9.314 10.054 -7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -9.752 11.663 -9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -8.859 10.506 -10.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -11.409 11.373 -10.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -10.674 10.015 -11.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -11.649 9.832 -10.054 1.00 0.00 H new ATOM 2047 N ARG A 128 -9.195 5.576 -12.249 1.00 0.00 N ATOM 2048 CA ARG A 128 -9.322 5.015 -13.614 1.00 0.00 C ATOM 2049 C ARG A 128 -9.333 3.488 -13.513 1.00 0.00 C ATOM 2050 O ARG A 128 -9.846 2.802 -14.374 1.00 0.00 O ATOM 2051 CB ARG A 128 -8.120 5.457 -14.457 1.00 0.00 C ATOM 2052 CG ARG A 128 -7.499 6.741 -13.890 1.00 0.00 C ATOM 2053 CD ARG A 128 -6.555 7.349 -14.928 1.00 0.00 C ATOM 2054 NE ARG A 128 -7.269 8.413 -15.686 1.00 0.00 N ATOM 2055 CZ ARG A 128 -6.592 9.264 -16.410 1.00 0.00 C ATOM 2056 NH1 ARG A 128 -5.322 9.064 -16.634 1.00 0.00 N ATOM 2057 NH2 ARG A 128 -7.183 10.314 -16.907 1.00 0.00 N ATOM 0 H ARG A 128 -8.242 5.815 -11.976 1.00 0.00 H new ATOM 0 HA ARG A 128 -10.242 5.368 -14.081 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -7.372 4.664 -14.476 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -8.434 5.624 -15.487 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -8.282 7.454 -13.632 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -6.954 6.520 -12.972 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -5.676 7.766 -14.436 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -6.202 6.576 -15.611 1.00 0.00 H new ATOM 0 HE ARG A 128 -8.286 8.477 -15.640 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -4.858 8.243 -16.244 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -4.793 9.728 -17.199 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -8.175 10.472 -16.731 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -6.653 10.978 -17.472 1.00 0.00 H new ATOM 2071 N LEU A 129 -8.759 2.959 -12.460 1.00 0.00 N ATOM 2072 CA LEU A 129 -8.714 1.477 -12.271 1.00 0.00 C ATOM 2073 C LEU A 129 -10.013 0.843 -12.777 1.00 0.00 C ATOM 2074 O LEU A 129 -11.023 1.526 -12.774 1.00 0.00 O ATOM 2075 CB LEU A 129 -8.544 1.162 -10.782 1.00 0.00 C ATOM 2076 CG LEU A 129 -7.408 0.165 -10.596 1.00 0.00 C ATOM 2077 CD1 LEU A 129 -6.104 0.791 -11.094 1.00 0.00 C ATOM 2078 CD2 LEU A 129 -7.278 -0.170 -9.111 1.00 0.00 C ATOM 2079 OXT LEU A 129 -9.973 -0.314 -13.164 1.00 0.00 O ATOM 0 H LEU A 129 -8.315 3.498 -11.716 1.00 0.00 H new ATOM 0 HA LEU A 129 -7.875 1.070 -12.835 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -8.332 2.077 -10.228 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -9.470 0.752 -10.379 1.00 0.00 H new ATOM 0 HG LEU A 129 -7.614 -0.744 -11.160 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.287 0.082 -10.963 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -6.201 1.042 -12.150 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -5.894 1.696 -10.524 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -6.467 -0.884 -8.969 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -7.064 0.740 -8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -8.211 -0.605 -8.753 1.00 0.00 H new