USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 ASN : amide:sc= -1.9! C(o=-2.6!,f=-6.2!) USER MOD Set 1.2: A 99 CYS SG : rot -179:sc= -0.745 USER MOD Set 2.1: A 72 THR OG1 : rot 63:sc= 0.551 USER MOD Set 2.2: A 89 SER OG : rot -51:sc= 1.71 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.807 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0726 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 150:sc= -0.425 (180deg=-1.69!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.02 K(o=-2,f=-3.8!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -0.0798 X(o=-0.08,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 4 16.000 -3.880 1.337 1.00 0.00 N ATOM 44 CA GLU A 4 14.557 -3.809 1.706 1.00 0.00 C ATOM 45 C GLU A 4 13.869 -2.730 0.869 1.00 0.00 C ATOM 46 O GLU A 4 14.501 -2.018 0.115 1.00 0.00 O ATOM 47 CB GLU A 4 14.428 -3.464 3.191 1.00 0.00 C ATOM 48 CG GLU A 4 15.104 -4.552 4.029 1.00 0.00 C ATOM 49 CD GLU A 4 16.520 -4.107 4.396 1.00 0.00 C ATOM 50 OE1 GLU A 4 16.878 -2.993 4.049 1.00 0.00 O ATOM 51 OE2 GLU A 4 17.222 -4.888 5.017 1.00 0.00 O ATOM 0 HA GLU A 4 14.084 -4.772 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.889 -2.497 3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.377 -3.379 3.466 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.525 -4.742 4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.139 -5.487 3.470 1.00 0.00 H new ATOM 58 N ILE A 5 12.577 -2.602 0.997 1.00 0.00 N ATOM 59 CA ILE A 5 11.850 -1.567 0.210 1.00 0.00 C ATOM 60 C ILE A 5 10.672 -1.037 1.029 1.00 0.00 C ATOM 61 O ILE A 5 10.009 -1.774 1.731 1.00 0.00 O ATOM 62 CB ILE A 5 11.330 -2.186 -1.090 1.00 0.00 C ATOM 63 CG1 ILE A 5 10.773 -1.083 -1.992 1.00 0.00 C ATOM 64 CG2 ILE A 5 10.221 -3.191 -0.770 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.926 -1.495 -3.457 1.00 0.00 C ATOM 0 H ILE A 5 11.994 -3.169 1.612 1.00 0.00 H new ATOM 0 HA ILE A 5 12.528 -0.746 -0.024 1.00 0.00 H new ATOM 0 HB ILE A 5 12.146 -2.697 -1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.723 -0.906 -1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 5 11.302 -0.148 -1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.851 -3.632 -1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.617 -3.977 -0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.404 -2.681 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.529 -0.709 -4.099 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.981 -1.650 -3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.377 -2.420 -3.634 1.00 0.00 H new ATOM 77 N ARG A 6 10.408 0.238 0.948 1.00 0.00 N ATOM 78 CA ARG A 6 9.274 0.816 1.723 1.00 0.00 C ATOM 79 C ARG A 6 8.045 0.936 0.819 1.00 0.00 C ATOM 80 O ARG A 6 7.961 1.812 -0.019 1.00 0.00 O ATOM 81 CB ARG A 6 9.663 2.204 2.240 1.00 0.00 C ATOM 82 CG ARG A 6 11.078 2.156 2.821 1.00 0.00 C ATOM 83 CD ARG A 6 11.691 3.557 2.789 1.00 0.00 C ATOM 84 NE ARG A 6 12.977 3.555 3.541 1.00 0.00 N ATOM 85 CZ ARG A 6 12.999 3.905 4.798 1.00 0.00 C ATOM 86 NH1 ARG A 6 12.479 3.121 5.704 1.00 0.00 N ATOM 87 NH2 ARG A 6 13.541 5.039 5.151 1.00 0.00 N ATOM 0 H ARG A 6 10.929 0.905 0.378 1.00 0.00 H new ATOM 0 HA ARG A 6 9.043 0.165 2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.616 2.932 1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.956 2.530 3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.050 1.783 3.845 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.695 1.464 2.247 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.861 3.867 1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 6 11.001 4.277 3.229 1.00 0.00 H new ATOM 0 HE ARG A 6 13.841 3.280 3.073 1.00 0.00 H new ATOM 0 HH11 ARG A 6 12.055 2.235 5.429 1.00 0.00 H new ATOM 0 HH12 ARG A 6 12.496 3.395 6.686 1.00 0.00 H new ATOM 0 HH21 ARG A 6 13.947 5.652 4.444 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.558 5.312 6.134 1.00 0.00 H new ATOM 101 N LEU A 7 7.091 0.061 0.983 1.00 0.00 N ATOM 102 CA LEU A 7 5.869 0.124 0.134 1.00 0.00 C ATOM 103 C LEU A 7 4.663 0.484 1.004 1.00 0.00 C ATOM 104 O LEU A 7 4.671 0.286 2.203 1.00 0.00 O ATOM 105 CB LEU A 7 5.637 -1.237 -0.525 1.00 0.00 C ATOM 106 CG LEU A 7 6.885 -1.644 -1.308 1.00 0.00 C ATOM 107 CD1 LEU A 7 6.778 -3.116 -1.711 1.00 0.00 C ATOM 108 CD2 LEU A 7 7.002 -0.779 -2.567 1.00 0.00 C ATOM 0 H LEU A 7 7.105 -0.694 1.668 1.00 0.00 H new ATOM 0 HA LEU A 7 5.999 0.883 -0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.410 -1.986 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.776 -1.188 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 7 7.767 -1.501 -0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.668 -3.406 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.694 -3.733 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.896 -3.259 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.892 -1.069 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.119 -0.922 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.078 0.270 -2.282 1.00 0.00 H new ATOM 120 N TYR A 8 3.626 1.011 0.413 1.00 0.00 N ATOM 121 CA TYR A 8 2.423 1.381 1.210 1.00 0.00 C ATOM 122 C TYR A 8 1.161 0.905 0.488 1.00 0.00 C ATOM 123 O TYR A 8 0.608 1.601 -0.339 1.00 0.00 O ATOM 124 CB TYR A 8 2.371 2.901 1.381 1.00 0.00 C ATOM 125 CG TYR A 8 1.349 3.253 2.434 1.00 0.00 C ATOM 126 CD1 TYR A 8 1.508 2.794 3.748 1.00 0.00 C ATOM 127 CD2 TYR A 8 0.238 4.038 2.096 1.00 0.00 C ATOM 128 CE1 TYR A 8 0.557 3.119 4.724 1.00 0.00 C ATOM 129 CE2 TYR A 8 -0.714 4.363 3.072 1.00 0.00 C ATOM 130 CZ TYR A 8 -0.553 3.903 4.387 1.00 0.00 C ATOM 131 OH TYR A 8 -1.491 4.223 5.349 1.00 0.00 O ATOM 0 H TYR A 8 3.560 1.201 -0.587 1.00 0.00 H new ATOM 0 HA TYR A 8 2.479 0.906 2.190 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.352 3.279 1.670 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.112 3.376 0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.364 2.189 4.009 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.116 4.393 1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.680 2.765 5.737 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.571 4.967 2.812 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.196 4.773 4.948 1.00 0.00 H new ATOM 141 N ILE A 9 0.702 -0.277 0.797 1.00 0.00 N ATOM 142 CA ILE A 9 -0.526 -0.798 0.131 1.00 0.00 C ATOM 143 C ILE A 9 -1.758 -0.374 0.932 1.00 0.00 C ATOM 144 O ILE A 9 -1.663 -0.007 2.086 1.00 0.00 O ATOM 145 CB ILE A 9 -0.461 -2.325 0.066 1.00 0.00 C ATOM 146 CG1 ILE A 9 0.815 -2.751 -0.664 1.00 0.00 C ATOM 147 CG2 ILE A 9 -1.680 -2.859 -0.688 1.00 0.00 C ATOM 148 CD1 ILE A 9 1.690 -3.582 0.277 1.00 0.00 C ATOM 0 H ILE A 9 1.124 -0.904 1.482 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.592 -0.394 -0.879 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.455 -2.730 1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.562 -3.333 -1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.362 -1.872 -1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.632 -3.947 -0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.590 -2.557 -0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.688 -2.454 -1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.598 -3.885 -0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.954 -2.985 1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.142 -4.468 0.596 1.00 0.00 H new ATOM 160 N THR A 10 -2.915 -0.423 0.331 1.00 0.00 N ATOM 161 CA THR A 10 -4.150 -0.024 1.062 1.00 0.00 C ATOM 162 C THR A 10 -4.722 -1.239 1.796 1.00 0.00 C ATOM 163 O THR A 10 -4.435 -2.370 1.461 1.00 0.00 O ATOM 164 CB THR A 10 -5.185 0.507 0.067 1.00 0.00 C ATOM 165 OG1 THR A 10 -4.538 0.842 -1.153 1.00 0.00 O ATOM 166 CG2 THR A 10 -5.862 1.750 0.646 1.00 0.00 C ATOM 0 H THR A 10 -3.058 -0.722 -0.634 1.00 0.00 H new ATOM 0 HA THR A 10 -3.909 0.756 1.784 1.00 0.00 H new ATOM 0 HB THR A 10 -5.937 -0.259 -0.119 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.200 1.181 -1.792 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.599 2.127 -0.064 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.358 1.492 1.581 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.112 2.519 0.833 1.00 0.00 H new ATOM 174 N GLU A 11 -5.528 -1.016 2.799 1.00 0.00 N ATOM 175 CA GLU A 11 -6.112 -2.161 3.552 1.00 0.00 C ATOM 176 C GLU A 11 -7.623 -2.210 3.321 1.00 0.00 C ATOM 177 O GLU A 11 -8.319 -1.226 3.484 1.00 0.00 O ATOM 178 CB GLU A 11 -5.829 -1.987 5.046 1.00 0.00 C ATOM 179 CG GLU A 11 -5.320 -3.307 5.627 1.00 0.00 C ATOM 180 CD GLU A 11 -6.496 -4.106 6.191 1.00 0.00 C ATOM 181 OE1 GLU A 11 -7.535 -3.510 6.423 1.00 0.00 O ATOM 182 OE2 GLU A 11 -6.339 -5.301 6.384 1.00 0.00 O ATOM 0 H GLU A 11 -5.806 -0.092 3.128 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.663 -3.091 3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.089 -1.201 5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.736 -1.675 5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.812 -3.884 4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.589 -3.113 6.412 1.00 0.00 H new ATOM 189 N GLY A 12 -8.137 -3.348 2.945 1.00 0.00 N ATOM 190 CA GLY A 12 -9.604 -3.464 2.704 1.00 0.00 C ATOM 191 C GLY A 12 -10.178 -4.572 3.588 1.00 0.00 C ATOM 192 O GLY A 12 -9.560 -4.998 4.545 1.00 0.00 O ATOM 0 H GLY A 12 -7.604 -4.205 2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.096 -2.517 2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.795 -3.686 1.654 1.00 0.00 H new ATOM 196 N GLU A 13 -11.353 -5.044 3.277 1.00 0.00 N ATOM 197 CA GLU A 13 -11.962 -6.127 4.102 1.00 0.00 C ATOM 198 C GLU A 13 -12.338 -7.308 3.202 1.00 0.00 C ATOM 199 O GLU A 13 -12.774 -8.341 3.670 1.00 0.00 O ATOM 200 CB GLU A 13 -13.217 -5.594 4.797 1.00 0.00 C ATOM 201 CG GLU A 13 -13.433 -6.352 6.110 1.00 0.00 C ATOM 202 CD GLU A 13 -14.697 -5.833 6.797 1.00 0.00 C ATOM 203 OE1 GLU A 13 -15.776 -6.120 6.305 1.00 0.00 O ATOM 204 OE2 GLU A 13 -14.565 -5.156 7.804 1.00 0.00 O ATOM 0 H GLU A 13 -11.918 -4.728 2.489 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.244 -6.458 4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.112 -4.527 4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.084 -5.715 4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.525 -7.420 5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.571 -6.221 6.764 1.00 0.00 H new ATOM 211 N VAL A 14 -12.173 -7.165 1.915 1.00 0.00 N ATOM 212 CA VAL A 14 -12.521 -8.282 0.993 1.00 0.00 C ATOM 213 C VAL A 14 -11.347 -9.262 0.916 1.00 0.00 C ATOM 214 O VAL A 14 -10.335 -9.085 1.565 1.00 0.00 O ATOM 215 CB VAL A 14 -12.812 -7.722 -0.401 1.00 0.00 C ATOM 216 CG1 VAL A 14 -13.908 -6.658 -0.307 1.00 0.00 C ATOM 217 CG2 VAL A 14 -11.539 -7.094 -0.973 1.00 0.00 C ATOM 0 H VAL A 14 -11.813 -6.324 1.463 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.404 -8.801 1.366 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.146 -8.529 -1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -14.115 -6.260 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.815 -7.105 0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.576 -5.851 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.745 -6.695 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.206 -6.288 -0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.758 -7.852 -1.041 1.00 0.00 H new ATOM 227 N GLU A 15 -11.472 -10.294 0.127 1.00 0.00 N ATOM 228 CA GLU A 15 -10.361 -11.281 0.012 1.00 0.00 C ATOM 229 C GLU A 15 -9.443 -10.890 -1.149 1.00 0.00 C ATOM 230 O GLU A 15 -8.442 -11.529 -1.402 1.00 0.00 O ATOM 231 CB GLU A 15 -10.941 -12.675 -0.242 1.00 0.00 C ATOM 232 CG GLU A 15 -11.483 -12.751 -1.671 1.00 0.00 C ATOM 233 CD GLU A 15 -12.165 -14.103 -1.886 1.00 0.00 C ATOM 234 OE1 GLU A 15 -12.941 -14.497 -1.031 1.00 0.00 O ATOM 235 OE2 GLU A 15 -11.898 -14.724 -2.903 1.00 0.00 O ATOM 0 H GLU A 15 -12.294 -10.496 -0.442 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.787 -11.289 0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.172 -13.433 -0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.738 -12.884 0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.192 -11.942 -1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.671 -12.623 -2.387 1.00 0.00 H new ATOM 242 N ASP A 16 -9.775 -9.845 -1.857 1.00 0.00 N ATOM 243 CA ASP A 16 -8.921 -9.417 -3.000 1.00 0.00 C ATOM 244 C ASP A 16 -7.563 -8.946 -2.475 1.00 0.00 C ATOM 245 O ASP A 16 -6.551 -9.586 -2.684 1.00 0.00 O ATOM 246 CB ASP A 16 -9.605 -8.269 -3.746 1.00 0.00 C ATOM 247 CG ASP A 16 -9.693 -8.607 -5.235 1.00 0.00 C ATOM 248 OD1 ASP A 16 -10.025 -9.738 -5.548 1.00 0.00 O ATOM 249 OD2 ASP A 16 -9.427 -7.728 -6.038 1.00 0.00 O ATOM 0 H ASP A 16 -10.601 -9.269 -1.693 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.776 -10.257 -3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.603 -8.102 -3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.045 -7.345 -3.605 1.00 0.00 H new ATOM 254 N TYR A 17 -7.532 -7.831 -1.800 1.00 0.00 N ATOM 255 CA TYR A 17 -6.239 -7.318 -1.266 1.00 0.00 C ATOM 256 C TYR A 17 -5.501 -8.442 -0.537 1.00 0.00 C ATOM 257 O TYR A 17 -4.288 -8.462 -0.477 1.00 0.00 O ATOM 258 CB TYR A 17 -6.503 -6.170 -0.291 1.00 0.00 C ATOM 259 CG TYR A 17 -5.204 -5.760 0.360 1.00 0.00 C ATOM 260 CD1 TYR A 17 -4.001 -5.872 -0.350 1.00 0.00 C ATOM 261 CD2 TYR A 17 -5.200 -5.270 1.673 1.00 0.00 C ATOM 262 CE1 TYR A 17 -2.794 -5.495 0.251 1.00 0.00 C ATOM 263 CE2 TYR A 17 -3.992 -4.893 2.276 1.00 0.00 C ATOM 264 CZ TYR A 17 -2.788 -5.005 1.564 1.00 0.00 C ATOM 265 OH TYR A 17 -1.600 -4.633 2.157 1.00 0.00 O ATOM 0 H TYR A 17 -8.346 -7.252 -1.595 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.628 -6.958 -2.094 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.942 -5.323 -0.819 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.221 -6.480 0.468 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.005 -6.250 -1.362 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.127 -5.183 2.220 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.868 -5.582 -0.297 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.988 -4.516 3.288 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.774 -4.315 3.067 1.00 0.00 H new ATOM 275 N ARG A 18 -6.218 -9.377 0.020 1.00 0.00 N ATOM 276 CA ARG A 18 -5.550 -10.495 0.743 1.00 0.00 C ATOM 277 C ARG A 18 -4.707 -11.306 -0.242 1.00 0.00 C ATOM 278 O ARG A 18 -3.540 -11.558 -0.018 1.00 0.00 O ATOM 279 CB ARG A 18 -6.610 -11.400 1.374 1.00 0.00 C ATOM 280 CG ARG A 18 -6.438 -11.408 2.894 1.00 0.00 C ATOM 281 CD ARG A 18 -7.813 -11.418 3.564 1.00 0.00 C ATOM 282 NE ARG A 18 -7.789 -12.340 4.734 1.00 0.00 N ATOM 283 CZ ARG A 18 -8.029 -11.880 5.932 1.00 0.00 C ATOM 284 NH1 ARG A 18 -7.439 -10.792 6.344 1.00 0.00 N ATOM 285 NH2 ARG A 18 -8.861 -12.507 6.717 1.00 0.00 N ATOM 0 H ARG A 18 -7.237 -9.416 0.006 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.907 -10.090 1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.607 -11.046 1.112 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.518 -12.413 0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.866 -12.283 3.201 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.874 -10.531 3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.080 -10.411 3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.574 -11.737 2.852 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.585 -13.330 4.599 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.790 -10.300 5.730 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.627 -10.433 7.280 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.324 -13.357 6.395 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.048 -12.148 7.653 1.00 0.00 H new ATOM 299 N VAL A 19 -5.292 -11.720 -1.333 1.00 0.00 N ATOM 300 CA VAL A 19 -4.526 -12.517 -2.334 1.00 0.00 C ATOM 301 C VAL A 19 -3.376 -11.676 -2.894 1.00 0.00 C ATOM 302 O VAL A 19 -2.323 -12.186 -3.221 1.00 0.00 O ATOM 303 CB VAL A 19 -5.458 -12.928 -3.474 1.00 0.00 C ATOM 304 CG1 VAL A 19 -4.743 -13.924 -4.389 1.00 0.00 C ATOM 305 CG2 VAL A 19 -6.714 -13.584 -2.896 1.00 0.00 C ATOM 0 H VAL A 19 -6.267 -11.541 -1.575 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.120 -13.407 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.737 -12.044 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.409 -14.215 -5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.848 -13.460 -4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.461 -14.807 -3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.378 -13.877 -3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.432 -14.467 -2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.227 -12.876 -2.245 1.00 0.00 H new ATOM 315 N PHE A 20 -3.570 -10.391 -3.009 1.00 0.00 N ATOM 316 CA PHE A 20 -2.490 -9.519 -3.553 1.00 0.00 C ATOM 317 C PHE A 20 -1.274 -9.560 -2.623 1.00 0.00 C ATOM 318 O PHE A 20 -0.182 -9.907 -3.027 1.00 0.00 O ATOM 319 CB PHE A 20 -3.004 -8.082 -3.659 1.00 0.00 C ATOM 320 CG PHE A 20 -2.087 -7.284 -4.554 1.00 0.00 C ATOM 321 CD1 PHE A 20 -2.199 -7.392 -5.946 1.00 0.00 C ATOM 322 CD2 PHE A 20 -1.124 -6.435 -3.992 1.00 0.00 C ATOM 323 CE1 PHE A 20 -1.347 -6.652 -6.776 1.00 0.00 C ATOM 324 CE2 PHE A 20 -0.272 -5.695 -4.823 1.00 0.00 C ATOM 325 CZ PHE A 20 -0.384 -5.802 -6.215 1.00 0.00 C ATOM 0 H PHE A 20 -4.430 -9.907 -2.750 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.199 -9.877 -4.540 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.017 -8.076 -4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.050 -7.627 -2.670 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.942 -8.045 -6.379 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.038 -6.351 -2.919 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.432 -6.737 -7.849 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.471 -5.042 -4.390 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.271 -5.230 -6.856 1.00 0.00 H new ATOM 335 N LEU A 21 -1.453 -9.203 -1.380 1.00 0.00 N ATOM 336 CA LEU A 21 -0.309 -9.219 -0.426 1.00 0.00 C ATOM 337 C LEU A 21 0.322 -10.613 -0.403 1.00 0.00 C ATOM 338 O LEU A 21 1.516 -10.761 -0.241 1.00 0.00 O ATOM 339 CB LEU A 21 -0.811 -8.863 0.975 1.00 0.00 C ATOM 340 CG LEU A 21 0.378 -8.518 1.871 1.00 0.00 C ATOM 341 CD1 LEU A 21 -0.031 -7.428 2.864 1.00 0.00 C ATOM 342 CD2 LEU A 21 0.815 -9.767 2.639 1.00 0.00 C ATOM 0 H LEU A 21 -2.343 -8.901 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 21 0.437 -8.490 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.498 -8.018 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.367 -9.700 1.397 1.00 0.00 H new ATOM 0 HG LEU A 21 1.204 -8.159 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.817 -7.182 3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.345 -6.538 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.857 -7.787 3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.663 -9.523 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.012 -10.124 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.105 -10.545 1.933 1.00 0.00 H new ATOM 354 N GLU A 22 -0.472 -11.636 -0.559 1.00 0.00 N ATOM 355 CA GLU A 22 0.083 -13.019 -0.541 1.00 0.00 C ATOM 356 C GLU A 22 1.043 -13.205 -1.718 1.00 0.00 C ATOM 357 O GLU A 22 2.079 -13.827 -1.594 1.00 0.00 O ATOM 358 CB GLU A 22 -1.062 -14.028 -0.655 1.00 0.00 C ATOM 359 CG GLU A 22 -1.145 -14.856 0.630 1.00 0.00 C ATOM 360 CD GLU A 22 -2.556 -15.431 0.775 1.00 0.00 C ATOM 361 OE1 GLU A 22 -3.346 -15.247 -0.136 1.00 0.00 O ATOM 362 OE2 GLU A 22 -2.822 -16.045 1.795 1.00 0.00 O ATOM 0 H GLU A 22 -1.481 -11.574 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 22 0.621 -13.180 0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.004 -13.507 -0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.900 -14.682 -1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.413 -15.663 0.603 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.903 -14.234 1.492 1.00 0.00 H new ATOM 369 N ARG A 23 0.704 -12.676 -2.861 1.00 0.00 N ATOM 370 CA ARG A 23 1.595 -12.830 -4.047 1.00 0.00 C ATOM 371 C ARG A 23 2.867 -12.001 -3.855 1.00 0.00 C ATOM 372 O ARG A 23 3.954 -12.430 -4.189 1.00 0.00 O ATOM 373 CB ARG A 23 0.859 -12.353 -5.300 1.00 0.00 C ATOM 374 CG ARG A 23 1.395 -13.102 -6.521 1.00 0.00 C ATOM 375 CD ARG A 23 0.224 -13.591 -7.374 1.00 0.00 C ATOM 376 NE ARG A 23 0.463 -15.002 -7.786 1.00 0.00 N ATOM 377 CZ ARG A 23 0.069 -15.415 -8.960 1.00 0.00 C ATOM 378 NH1 ARG A 23 -1.175 -15.759 -9.148 1.00 0.00 N ATOM 379 NH2 ARG A 23 0.921 -15.486 -9.947 1.00 0.00 N ATOM 0 H ARG A 23 -0.151 -12.144 -3.026 1.00 0.00 H new ATOM 0 HA ARG A 23 1.867 -13.880 -4.158 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.212 -12.527 -5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.996 -11.279 -5.429 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.038 -12.447 -7.109 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.005 -13.947 -6.203 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.706 -13.519 -6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.113 -12.958 -8.254 1.00 0.00 H new ATOM 0 HE ARG A 23 0.935 -15.646 -7.151 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.841 -15.705 -8.377 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.482 -16.082 -10.066 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.894 -15.219 -9.801 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.613 -15.809 -10.864 1.00 0.00 H new ATOM 393 N LEU A 24 2.744 -10.816 -3.323 1.00 0.00 N ATOM 394 CA LEU A 24 3.950 -9.966 -3.116 1.00 0.00 C ATOM 395 C LEU A 24 4.970 -10.720 -2.260 1.00 0.00 C ATOM 396 O LEU A 24 6.162 -10.632 -2.478 1.00 0.00 O ATOM 397 CB LEU A 24 3.548 -8.672 -2.407 1.00 0.00 C ATOM 398 CG LEU A 24 4.040 -7.473 -3.219 1.00 0.00 C ATOM 399 CD1 LEU A 24 2.915 -6.444 -3.342 1.00 0.00 C ATOM 400 CD2 LEU A 24 5.239 -6.834 -2.510 1.00 0.00 C ATOM 0 H LEU A 24 1.862 -10.400 -3.023 1.00 0.00 H new ATOM 0 HA LEU A 24 4.394 -9.729 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.465 -8.628 -2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.975 -8.646 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 24 4.339 -7.806 -4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.265 -5.589 -3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.061 -6.897 -3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.616 -6.111 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.590 -5.979 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.939 -6.501 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.041 -7.566 -2.421 1.00 0.00 H new ATOM 412 N GLU A 25 4.512 -11.460 -1.288 1.00 0.00 N ATOM 413 CA GLU A 25 5.457 -12.216 -0.419 1.00 0.00 C ATOM 414 C GLU A 25 6.230 -13.235 -1.262 1.00 0.00 C ATOM 415 O GLU A 25 7.389 -13.505 -1.016 1.00 0.00 O ATOM 416 CB GLU A 25 4.673 -12.947 0.673 1.00 0.00 C ATOM 417 CG GLU A 25 5.243 -12.579 2.044 1.00 0.00 C ATOM 418 CD GLU A 25 4.137 -12.664 3.096 1.00 0.00 C ATOM 419 OE1 GLU A 25 3.008 -12.934 2.719 1.00 0.00 O ATOM 420 OE2 GLU A 25 4.436 -12.459 4.261 1.00 0.00 O ATOM 0 H GLU A 25 3.525 -11.574 -1.058 1.00 0.00 H new ATOM 0 HA GLU A 25 6.159 -11.521 0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.618 -12.676 0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.733 -14.024 0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.059 -13.254 2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.658 -11.572 2.018 1.00 0.00 H new ATOM 427 N GLN A 26 5.601 -13.802 -2.256 1.00 0.00 N ATOM 428 CA GLN A 26 6.305 -14.801 -3.110 1.00 0.00 C ATOM 429 C GLN A 26 7.380 -14.094 -3.937 1.00 0.00 C ATOM 430 O GLN A 26 8.329 -14.703 -4.390 1.00 0.00 O ATOM 431 CB GLN A 26 5.301 -15.474 -4.047 1.00 0.00 C ATOM 432 CG GLN A 26 4.005 -15.764 -3.287 1.00 0.00 C ATOM 433 CD GLN A 26 3.280 -16.940 -3.944 1.00 0.00 C ATOM 434 OE1 GLN A 26 2.866 -16.855 -5.083 1.00 0.00 O ATOM 435 NE2 GLN A 26 3.108 -18.044 -3.269 1.00 0.00 N ATOM 0 H GLN A 26 4.631 -13.617 -2.513 1.00 0.00 H new ATOM 0 HA GLN A 26 6.770 -15.556 -2.476 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.097 -14.829 -4.902 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.719 -16.401 -4.440 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.226 -15.996 -2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.365 -14.882 -3.289 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.455 -18.116 -2.313 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.626 -18.834 -3.698 1.00 0.00 H new ATOM 444 N SER A 27 7.240 -12.812 -4.135 1.00 0.00 N ATOM 445 CA SER A 27 8.255 -12.066 -4.930 1.00 0.00 C ATOM 446 C SER A 27 9.658 -12.476 -4.479 1.00 0.00 C ATOM 447 O SER A 27 10.528 -12.740 -5.285 1.00 0.00 O ATOM 448 CB SER A 27 8.066 -10.564 -4.713 1.00 0.00 C ATOM 449 OG SER A 27 9.197 -9.871 -5.222 1.00 0.00 O ATOM 0 H SER A 27 6.467 -12.249 -3.781 1.00 0.00 H new ATOM 0 HA SER A 27 8.133 -12.298 -5.988 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.160 -10.223 -5.215 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.942 -10.351 -3.651 1.00 0.00 H new ATOM 0 HG SER A 27 9.079 -8.908 -5.086 1.00 0.00 H new ATOM 455 N GLY A 28 9.885 -12.531 -3.195 1.00 0.00 N ATOM 456 CA GLY A 28 11.233 -12.926 -2.693 1.00 0.00 C ATOM 457 C GLY A 28 11.904 -11.725 -2.023 1.00 0.00 C ATOM 458 O GLY A 28 12.658 -11.868 -1.082 1.00 0.00 O ATOM 0 H GLY A 28 9.197 -12.320 -2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.141 -13.747 -1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.848 -13.286 -3.518 1.00 0.00 H new ATOM 462 N LEU A 29 11.636 -10.540 -2.501 1.00 0.00 N ATOM 463 CA LEU A 29 12.260 -9.332 -1.892 1.00 0.00 C ATOM 464 C LEU A 29 11.514 -8.963 -0.608 1.00 0.00 C ATOM 465 O LEU A 29 10.332 -9.208 -0.474 1.00 0.00 O ATOM 466 CB LEU A 29 12.184 -8.167 -2.881 1.00 0.00 C ATOM 467 CG LEU A 29 13.561 -7.933 -3.502 1.00 0.00 C ATOM 468 CD1 LEU A 29 14.521 -7.409 -2.433 1.00 0.00 C ATOM 469 CD2 LEU A 29 14.095 -9.253 -4.064 1.00 0.00 C ATOM 0 H LEU A 29 11.012 -10.357 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 29 13.303 -9.541 -1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.454 -8.385 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.845 -7.265 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 29 13.479 -7.201 -4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.503 -7.242 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.140 -6.470 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.605 -8.141 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.077 -9.089 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.178 -9.984 -3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.411 -9.627 -4.826 1.00 0.00 H new ATOM 481 N GLU A 30 12.195 -8.375 0.337 1.00 0.00 N ATOM 482 CA GLU A 30 11.525 -7.992 1.612 1.00 0.00 C ATOM 483 C GLU A 30 10.918 -6.594 1.469 1.00 0.00 C ATOM 484 O GLU A 30 11.397 -5.772 0.714 1.00 0.00 O ATOM 485 CB GLU A 30 12.553 -7.988 2.745 1.00 0.00 C ATOM 486 CG GLU A 30 12.392 -9.258 3.584 1.00 0.00 C ATOM 487 CD GLU A 30 13.730 -9.997 3.660 1.00 0.00 C ATOM 488 OE1 GLU A 30 14.726 -9.423 3.248 1.00 0.00 O ATOM 489 OE2 GLU A 30 13.736 -11.123 4.127 1.00 0.00 O ATOM 0 H GLU A 30 13.187 -8.143 0.281 1.00 0.00 H new ATOM 0 HA GLU A 30 10.736 -8.709 1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.562 -7.935 2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.417 -7.106 3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.049 -9.002 4.587 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.633 -9.904 3.142 1.00 0.00 H new ATOM 496 N TRP A 31 9.864 -6.318 2.189 1.00 0.00 N ATOM 497 CA TRP A 31 9.227 -4.973 2.093 1.00 0.00 C ATOM 498 C TRP A 31 8.505 -4.654 3.404 1.00 0.00 C ATOM 499 O TRP A 31 8.204 -5.533 4.187 1.00 0.00 O ATOM 500 CB TRP A 31 8.219 -4.968 0.941 1.00 0.00 C ATOM 501 CG TRP A 31 7.281 -6.121 1.096 1.00 0.00 C ATOM 502 CD1 TRP A 31 7.354 -7.280 0.401 1.00 0.00 C ATOM 503 CD2 TRP A 31 6.133 -6.248 1.985 1.00 0.00 C ATOM 504 NE1 TRP A 31 6.325 -8.111 0.807 1.00 0.00 N ATOM 505 CE2 TRP A 31 5.546 -7.520 1.781 1.00 0.00 C ATOM 506 CE3 TRP A 31 5.551 -5.392 2.940 1.00 0.00 C ATOM 507 CZ2 TRP A 31 4.420 -7.927 2.499 1.00 0.00 C ATOM 508 CZ3 TRP A 31 4.418 -5.799 3.665 1.00 0.00 C ATOM 509 CH2 TRP A 31 3.855 -7.065 3.444 1.00 0.00 C ATOM 0 H TRP A 31 9.417 -6.965 2.839 1.00 0.00 H new ATOM 0 HA TRP A 31 9.994 -4.220 1.909 1.00 0.00 H new ATOM 0 HB2 TRP A 31 7.662 -4.031 0.934 1.00 0.00 H new ATOM 0 HB3 TRP A 31 8.741 -5.036 -0.014 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.095 -7.517 -0.348 1.00 0.00 H new ATOM 0 HE1 TRP A 31 6.162 -9.046 0.432 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.978 -4.416 3.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.988 -8.902 2.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.979 -5.135 4.395 1.00 0.00 H new ATOM 0 HH2 TRP A 31 2.985 -7.374 4.004 1.00 0.00 H new ATOM 520 N ARG A 32 8.224 -3.404 3.651 1.00 0.00 N ATOM 521 CA ARG A 32 7.523 -3.032 4.912 1.00 0.00 C ATOM 522 C ARG A 32 6.522 -1.907 4.628 1.00 0.00 C ATOM 523 O ARG A 32 6.652 -1.195 3.653 1.00 0.00 O ATOM 524 CB ARG A 32 8.544 -2.550 5.945 1.00 0.00 C ATOM 525 CG ARG A 32 9.547 -3.667 6.238 1.00 0.00 C ATOM 526 CD ARG A 32 10.848 -3.056 6.764 1.00 0.00 C ATOM 527 NE ARG A 32 11.906 -4.103 6.810 1.00 0.00 N ATOM 528 CZ ARG A 32 11.734 -5.172 7.540 1.00 0.00 C ATOM 529 NH1 ARG A 32 11.021 -5.108 8.630 1.00 0.00 N ATOM 530 NH2 ARG A 32 12.277 -6.302 7.178 1.00 0.00 N ATOM 0 H ARG A 32 8.450 -2.624 3.034 1.00 0.00 H new ATOM 0 HA ARG A 32 6.995 -3.903 5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.065 -1.669 5.572 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.036 -2.255 6.863 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.134 -4.358 6.972 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.742 -4.242 5.333 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.162 -2.234 6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.690 -2.639 7.759 1.00 0.00 H new ATOM 0 HE ARG A 32 12.764 -3.985 6.272 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.598 -4.224 8.912 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.886 -5.942 9.201 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.835 -6.350 6.326 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.143 -7.138 7.747 1.00 0.00 H new ATOM 544 N PRO A 33 5.553 -1.779 5.499 1.00 0.00 N ATOM 545 CA PRO A 33 4.509 -0.747 5.381 1.00 0.00 C ATOM 546 C PRO A 33 5.053 0.608 5.842 1.00 0.00 C ATOM 547 O PRO A 33 5.056 0.920 7.016 1.00 0.00 O ATOM 548 CB PRO A 33 3.406 -1.242 6.319 1.00 0.00 C ATOM 549 CG PRO A 33 4.088 -2.195 7.329 1.00 0.00 C ATOM 550 CD PRO A 33 5.408 -2.655 6.681 1.00 0.00 C ATOM 0 HA PRO A 33 4.156 -0.604 4.360 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.930 -0.407 6.833 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.626 -1.760 5.762 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.277 -1.686 8.274 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.447 -3.049 7.549 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.249 -2.543 7.366 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.367 -3.706 6.396 1.00 0.00 H new ATOM 558 N ALA A 34 5.515 1.414 4.927 1.00 0.00 N ATOM 559 CA ALA A 34 6.064 2.745 5.313 1.00 0.00 C ATOM 560 C ALA A 34 4.918 3.685 5.691 1.00 0.00 C ATOM 561 O ALA A 34 3.765 3.302 5.708 1.00 0.00 O ATOM 562 CB ALA A 34 6.837 3.336 4.132 1.00 0.00 C ATOM 0 H ALA A 34 5.536 1.209 3.928 1.00 0.00 H new ATOM 0 HA ALA A 34 6.731 2.628 6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.240 4.310 4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.655 2.669 3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.167 3.451 3.280 1.00 0.00 H new ATOM 568 N THR A 35 5.229 4.917 5.993 1.00 0.00 N ATOM 569 CA THR A 35 4.164 5.888 6.370 1.00 0.00 C ATOM 570 C THR A 35 3.607 6.544 5.103 1.00 0.00 C ATOM 571 O THR A 35 4.121 6.335 4.022 1.00 0.00 O ATOM 572 CB THR A 35 4.758 6.964 7.281 1.00 0.00 C ATOM 573 OG1 THR A 35 6.164 6.782 7.372 1.00 0.00 O ATOM 574 CG2 THR A 35 4.138 6.860 8.676 1.00 0.00 C ATOM 0 H THR A 35 6.177 5.293 5.995 1.00 0.00 H new ATOM 0 HA THR A 35 3.363 5.368 6.895 1.00 0.00 H new ATOM 0 HB THR A 35 4.543 7.948 6.865 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.546 7.472 7.954 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.564 7.628 9.322 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.059 7.002 8.606 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.348 5.876 9.095 1.00 0.00 H new ATOM 582 N PRO A 36 2.571 7.325 5.277 1.00 0.00 N ATOM 583 CA PRO A 36 1.919 8.037 4.164 1.00 0.00 C ATOM 584 C PRO A 36 2.737 9.271 3.775 1.00 0.00 C ATOM 585 O PRO A 36 2.485 9.906 2.770 1.00 0.00 O ATOM 586 CB PRO A 36 0.560 8.439 4.743 1.00 0.00 C ATOM 587 CG PRO A 36 0.727 8.446 6.283 1.00 0.00 C ATOM 588 CD PRO A 36 1.956 7.571 6.597 1.00 0.00 C ATOM 0 HA PRO A 36 1.827 7.435 3.260 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.258 9.422 4.380 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.215 7.735 4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.870 9.461 6.653 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.164 8.052 6.771 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.646 8.080 7.270 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.668 6.639 7.082 1.00 0.00 H new ATOM 596 N GLU A 37 3.717 9.612 4.565 1.00 0.00 N ATOM 597 CA GLU A 37 4.558 10.800 4.248 1.00 0.00 C ATOM 598 C GLU A 37 5.989 10.345 3.947 1.00 0.00 C ATOM 599 O GLU A 37 6.830 11.128 3.548 1.00 0.00 O ATOM 600 CB GLU A 37 4.566 11.752 5.445 1.00 0.00 C ATOM 601 CG GLU A 37 4.371 13.190 4.959 1.00 0.00 C ATOM 602 CD GLU A 37 5.734 13.822 4.679 1.00 0.00 C ATOM 603 OE1 GLU A 37 6.714 13.333 5.216 1.00 0.00 O ATOM 604 OE2 GLU A 37 5.777 14.784 3.930 1.00 0.00 O ATOM 0 H GLU A 37 3.972 9.117 5.420 1.00 0.00 H new ATOM 0 HA GLU A 37 4.150 11.314 3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.773 11.482 6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.509 11.665 5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.761 13.200 4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.837 13.770 5.711 1.00 0.00 H new ATOM 611 N ASP A 38 6.273 9.084 4.135 1.00 0.00 N ATOM 612 CA ASP A 38 7.648 8.578 3.863 1.00 0.00 C ATOM 613 C ASP A 38 7.557 7.211 3.181 1.00 0.00 C ATOM 614 O ASP A 38 8.220 6.268 3.568 1.00 0.00 O ATOM 615 CB ASP A 38 8.409 8.440 5.183 1.00 0.00 C ATOM 616 CG ASP A 38 9.913 8.383 4.904 1.00 0.00 C ATOM 617 OD1 ASP A 38 10.285 8.495 3.748 1.00 0.00 O ATOM 618 OD2 ASP A 38 10.664 8.228 5.852 1.00 0.00 O ATOM 0 H ASP A 38 5.611 8.382 4.466 1.00 0.00 H new ATOM 0 HA ASP A 38 8.174 9.277 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.181 9.283 5.836 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.091 7.538 5.705 1.00 0.00 H new ATOM 623 N ALA A 39 6.740 7.094 2.171 1.00 0.00 N ATOM 624 CA ALA A 39 6.605 5.787 1.468 1.00 0.00 C ATOM 625 C ALA A 39 7.398 5.822 0.159 1.00 0.00 C ATOM 626 O ALA A 39 7.235 6.710 -0.653 1.00 0.00 O ATOM 627 CB ALA A 39 5.130 5.522 1.163 1.00 0.00 C ATOM 0 H ALA A 39 6.160 7.847 1.802 1.00 0.00 H new ATOM 0 HA ALA A 39 6.994 4.993 2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.031 4.566 0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.565 5.493 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.741 6.318 0.528 1.00 0.00 H new ATOM 633 N ASP A 40 8.253 4.857 -0.053 1.00 0.00 N ATOM 634 CA ASP A 40 9.052 4.833 -1.309 1.00 0.00 C ATOM 635 C ASP A 40 8.122 4.577 -2.497 1.00 0.00 C ATOM 636 O ASP A 40 8.260 5.173 -3.546 1.00 0.00 O ATOM 637 CB ASP A 40 10.097 3.719 -1.227 1.00 0.00 C ATOM 638 CG ASP A 40 11.120 3.895 -2.352 1.00 0.00 C ATOM 639 OD1 ASP A 40 10.794 4.552 -3.327 1.00 0.00 O ATOM 640 OD2 ASP A 40 12.214 3.370 -2.219 1.00 0.00 O ATOM 0 H ASP A 40 8.431 4.086 0.590 1.00 0.00 H new ATOM 0 HA ASP A 40 9.555 5.791 -1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.597 3.745 -0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.614 2.746 -1.310 1.00 0.00 H new ATOM 645 N ALA A 41 7.172 3.695 -2.338 1.00 0.00 N ATOM 646 CA ALA A 41 6.231 3.403 -3.457 1.00 0.00 C ATOM 647 C ALA A 41 4.826 3.183 -2.891 1.00 0.00 C ATOM 648 O ALA A 41 4.644 2.491 -1.910 1.00 0.00 O ATOM 649 CB ALA A 41 6.688 2.140 -4.193 1.00 0.00 C ATOM 0 H ALA A 41 7.007 3.165 -1.482 1.00 0.00 H new ATOM 0 HA ALA A 41 6.218 4.242 -4.152 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.000 1.927 -5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.690 2.294 -4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.699 1.299 -3.500 1.00 0.00 H new ATOM 655 N VAL A 42 3.829 3.770 -3.498 1.00 0.00 N ATOM 656 CA VAL A 42 2.440 3.593 -2.987 1.00 0.00 C ATOM 657 C VAL A 42 1.655 2.684 -3.934 1.00 0.00 C ATOM 658 O VAL A 42 1.575 2.929 -5.121 1.00 0.00 O ATOM 659 CB VAL A 42 1.747 4.954 -2.904 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.533 4.854 -1.978 1.00 0.00 C ATOM 661 CG2 VAL A 42 2.726 5.991 -2.349 1.00 0.00 C ATOM 0 H VAL A 42 3.917 4.363 -4.323 1.00 0.00 H new ATOM 0 HA VAL A 42 2.478 3.141 -1.996 1.00 0.00 H new ATOM 0 HB VAL A 42 1.421 5.256 -3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.039 5.824 -1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.165 4.115 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.859 4.552 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.233 6.961 -2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.052 5.688 -1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.591 6.063 -3.008 1.00 0.00 H new ATOM 671 N ILE A 43 1.069 1.639 -3.419 1.00 0.00 N ATOM 672 CA ILE A 43 0.283 0.719 -4.290 1.00 0.00 C ATOM 673 C ILE A 43 -1.205 0.875 -3.973 1.00 0.00 C ATOM 674 O ILE A 43 -1.730 0.239 -3.081 1.00 0.00 O ATOM 675 CB ILE A 43 0.717 -0.726 -4.030 1.00 0.00 C ATOM 676 CG1 ILE A 43 2.089 -0.966 -4.666 1.00 0.00 C ATOM 677 CG2 ILE A 43 -0.302 -1.688 -4.647 1.00 0.00 C ATOM 678 CD1 ILE A 43 3.070 -1.448 -3.597 1.00 0.00 C ATOM 0 H ILE A 43 1.100 1.382 -2.432 1.00 0.00 H new ATOM 0 HA ILE A 43 0.460 0.964 -5.337 1.00 0.00 H new ATOM 0 HB ILE A 43 0.775 -0.899 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.008 -1.707 -5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.456 -0.047 -5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.009 -2.716 -4.461 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.281 -1.518 -4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.361 -1.516 -5.722 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.047 -1.619 -4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.159 -0.692 -2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.705 -2.378 -3.161 1.00 0.00 H new ATOM 690 N VAL A 44 -1.888 1.718 -4.698 1.00 0.00 N ATOM 691 CA VAL A 44 -3.342 1.916 -4.439 1.00 0.00 C ATOM 692 C VAL A 44 -4.153 0.943 -5.298 1.00 0.00 C ATOM 693 O VAL A 44 -4.151 1.022 -6.511 1.00 0.00 O ATOM 694 CB VAL A 44 -3.730 3.352 -4.793 1.00 0.00 C ATOM 695 CG1 VAL A 44 -5.100 3.674 -4.194 1.00 0.00 C ATOM 696 CG2 VAL A 44 -2.686 4.316 -4.223 1.00 0.00 C ATOM 0 H VAL A 44 -1.502 2.278 -5.458 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.551 1.730 -3.386 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.773 3.460 -5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.376 4.698 -4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.844 2.987 -4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.058 3.567 -3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.961 5.340 -4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.644 4.207 -3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.709 4.088 -4.649 1.00 0.00 H new ATOM 706 N LEU A 45 -4.848 0.028 -4.679 1.00 0.00 N ATOM 707 CA LEU A 45 -5.660 -0.946 -5.461 1.00 0.00 C ATOM 708 C LEU A 45 -7.029 -0.338 -5.766 1.00 0.00 C ATOM 709 O LEU A 45 -7.726 0.121 -4.882 1.00 0.00 O ATOM 710 CB LEU A 45 -5.842 -2.229 -4.647 1.00 0.00 C ATOM 711 CG LEU A 45 -4.504 -2.641 -4.034 1.00 0.00 C ATOM 712 CD1 LEU A 45 -4.633 -4.034 -3.416 1.00 0.00 C ATOM 713 CD2 LEU A 45 -3.431 -2.666 -5.125 1.00 0.00 C ATOM 0 H LEU A 45 -4.888 -0.087 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.149 -1.178 -6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.580 -2.071 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.222 -3.026 -5.286 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.222 -1.925 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.679 -4.328 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.398 -4.018 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.914 -4.750 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.476 -2.960 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.713 -3.382 -5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.338 -1.674 -5.567 1.00 0.00 H new ATOM 725 N ALA A 46 -7.421 -0.327 -7.011 1.00 0.00 N ATOM 726 CA ALA A 46 -8.747 0.253 -7.370 1.00 0.00 C ATOM 727 C ALA A 46 -9.850 -0.765 -7.072 1.00 0.00 C ATOM 728 O ALA A 46 -11.019 -0.503 -7.275 1.00 0.00 O ATOM 729 CB ALA A 46 -8.764 0.606 -8.858 1.00 0.00 C ATOM 0 H ALA A 46 -6.881 -0.694 -7.795 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.919 1.154 -6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.733 1.030 -9.120 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.981 1.334 -9.068 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.590 -0.294 -9.448 1.00 0.00 H new ATOM 735 N GLY A 47 -9.490 -1.923 -6.587 1.00 0.00 N ATOM 736 CA GLY A 47 -10.523 -2.951 -6.275 1.00 0.00 C ATOM 737 C GLY A 47 -11.346 -2.488 -5.073 1.00 0.00 C ATOM 738 O GLY A 47 -12.413 -3.004 -4.800 1.00 0.00 O ATOM 0 H GLY A 47 -8.528 -2.201 -6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.172 -3.105 -7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.047 -3.908 -6.059 1.00 0.00 H new ATOM 742 N LEU A 48 -10.859 -1.515 -4.353 1.00 0.00 N ATOM 743 CA LEU A 48 -11.609 -1.011 -3.171 1.00 0.00 C ATOM 744 C LEU A 48 -12.228 0.346 -3.509 1.00 0.00 C ATOM 745 O LEU A 48 -12.416 1.187 -2.652 1.00 0.00 O ATOM 746 CB LEU A 48 -10.648 -0.857 -1.989 1.00 0.00 C ATOM 747 CG LEU A 48 -9.697 -2.054 -1.943 1.00 0.00 C ATOM 748 CD1 LEU A 48 -8.514 -1.735 -1.028 1.00 0.00 C ATOM 749 CD2 LEU A 48 -10.444 -3.276 -1.402 1.00 0.00 C ATOM 0 H LEU A 48 -9.971 -1.047 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.398 -1.715 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.080 0.068 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.209 -0.789 -1.057 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.331 -2.264 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.838 -2.589 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.982 -0.865 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.878 -1.524 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.768 -4.130 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.810 -3.063 -0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.287 -3.506 -2.054 1.00 0.00 H new ATOM 761 N TRP A 49 -12.543 0.564 -4.756 1.00 0.00 N ATOM 762 CA TRP A 49 -13.148 1.865 -5.159 1.00 0.00 C ATOM 763 C TRP A 49 -14.592 1.935 -4.659 1.00 0.00 C ATOM 764 O TRP A 49 -15.127 3.001 -4.425 1.00 0.00 O ATOM 765 CB TRP A 49 -13.132 1.975 -6.685 1.00 0.00 C ATOM 766 CG TRP A 49 -13.360 3.396 -7.087 1.00 0.00 C ATOM 767 CD1 TRP A 49 -14.526 4.066 -6.945 1.00 0.00 C ATOM 768 CD2 TRP A 49 -12.421 4.331 -7.694 1.00 0.00 C ATOM 769 NE1 TRP A 49 -14.364 5.353 -7.427 1.00 0.00 N ATOM 770 CE2 TRP A 49 -13.085 5.564 -7.899 1.00 0.00 C ATOM 771 CE3 TRP A 49 -11.071 4.229 -8.083 1.00 0.00 C ATOM 772 CZ2 TRP A 49 -12.432 6.659 -8.469 1.00 0.00 C ATOM 773 CZ3 TRP A 49 -10.411 5.328 -8.658 1.00 0.00 C ATOM 774 CH2 TRP A 49 -11.091 6.540 -8.850 1.00 0.00 C ATOM 0 H TRP A 49 -12.407 -0.104 -5.515 1.00 0.00 H new ATOM 0 HA TRP A 49 -12.576 2.685 -4.725 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -12.176 1.625 -7.075 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -13.904 1.337 -7.114 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.435 3.663 -6.524 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.100 6.059 -7.433 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.540 3.300 -7.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.958 7.591 -8.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -9.376 5.239 -8.953 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.579 7.382 -9.292 1.00 0.00 H new ATOM 785 N GLY A 50 -15.229 0.808 -4.494 1.00 0.00 N ATOM 786 CA GLY A 50 -16.640 0.813 -4.010 1.00 0.00 C ATOM 787 C GLY A 50 -16.681 0.412 -2.535 1.00 0.00 C ATOM 788 O GLY A 50 -17.549 -0.322 -2.106 1.00 0.00 O ATOM 0 H GLY A 50 -14.834 -0.115 -4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -17.075 1.804 -4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -17.240 0.121 -4.602 1.00 0.00 H new ATOM 792 N THR A 51 -15.751 0.888 -1.753 1.00 0.00 N ATOM 793 CA THR A 51 -15.743 0.533 -0.305 1.00 0.00 C ATOM 794 C THR A 51 -14.921 1.563 0.469 1.00 0.00 C ATOM 795 O THR A 51 -15.392 2.165 1.413 1.00 0.00 O ATOM 796 CB THR A 51 -15.130 -0.860 -0.116 1.00 0.00 C ATOM 797 OG1 THR A 51 -14.474 -0.917 1.142 1.00 0.00 O ATOM 798 CG2 THR A 51 -14.120 -1.140 -1.232 1.00 0.00 C ATOM 0 H THR A 51 -14.997 1.506 -2.053 1.00 0.00 H new ATOM 0 HA THR A 51 -16.766 0.529 0.070 1.00 0.00 H new ATOM 0 HB THR A 51 -15.920 -1.610 -0.153 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.082 -1.807 1.267 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.688 -2.131 -1.092 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.624 -1.097 -2.198 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.328 -0.392 -1.202 1.00 0.00 H new ATOM 806 N ARG A 52 -13.693 1.772 0.078 1.00 0.00 N ATOM 807 CA ARG A 52 -12.844 2.765 0.794 1.00 0.00 C ATOM 808 C ARG A 52 -12.483 3.906 -0.158 1.00 0.00 C ATOM 809 O ARG A 52 -11.325 4.197 -0.385 1.00 0.00 O ATOM 810 CB ARG A 52 -11.564 2.084 1.282 1.00 0.00 C ATOM 811 CG ARG A 52 -11.579 2.003 2.810 1.00 0.00 C ATOM 812 CD ARG A 52 -12.533 0.894 3.254 1.00 0.00 C ATOM 813 NE ARG A 52 -12.736 0.976 4.729 1.00 0.00 N ATOM 814 CZ ARG A 52 -12.210 0.073 5.511 1.00 0.00 C ATOM 815 NH1 ARG A 52 -12.563 -1.178 5.393 1.00 0.00 N ATOM 816 NH2 ARG A 52 -11.332 0.421 6.411 1.00 0.00 N ATOM 0 H ARG A 52 -13.242 1.299 -0.705 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.392 3.163 1.648 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.486 1.084 0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.691 2.643 0.946 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.575 1.804 3.184 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.893 2.958 3.232 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.488 0.993 2.738 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.125 -0.081 2.986 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.286 1.738 5.127 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.250 -1.450 4.690 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.152 -1.884 6.004 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.057 1.399 6.504 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.921 -0.285 7.022 1.00 0.00 H new ATOM 830 N ARG A 53 -13.466 4.557 -0.717 1.00 0.00 N ATOM 831 CA ARG A 53 -13.180 5.678 -1.654 1.00 0.00 C ATOM 832 C ARG A 53 -12.728 6.904 -0.858 1.00 0.00 C ATOM 833 O ARG A 53 -11.739 7.534 -1.178 1.00 0.00 O ATOM 834 CB ARG A 53 -14.451 6.016 -2.437 1.00 0.00 C ATOM 835 CG ARG A 53 -14.094 6.301 -3.897 1.00 0.00 C ATOM 836 CD ARG A 53 -13.304 7.608 -3.985 1.00 0.00 C ATOM 837 NE ARG A 53 -12.779 7.776 -5.370 1.00 0.00 N ATOM 838 CZ ARG A 53 -11.509 8.013 -5.562 1.00 0.00 C ATOM 839 NH1 ARG A 53 -11.044 9.223 -5.412 1.00 0.00 N ATOM 840 NH2 ARG A 53 -10.709 7.042 -5.904 1.00 0.00 N ATOM 0 H ARG A 53 -14.455 4.360 -0.565 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.391 5.386 -2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -15.157 5.187 -2.380 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.942 6.884 -1.996 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.505 5.480 -4.305 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -15.001 6.371 -4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.943 8.451 -3.722 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.481 7.597 -3.271 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.411 7.706 -6.167 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.672 9.981 -5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.053 9.411 -5.561 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.075 6.097 -6.022 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.717 7.227 -6.054 1.00 0.00 H new ATOM 854 N ASP A 54 -13.446 7.246 0.177 1.00 0.00 N ATOM 855 CA ASP A 54 -13.060 8.431 0.994 1.00 0.00 C ATOM 856 C ASP A 54 -11.649 8.230 1.554 1.00 0.00 C ATOM 857 O ASP A 54 -10.875 9.160 1.658 1.00 0.00 O ATOM 858 CB ASP A 54 -14.048 8.592 2.152 1.00 0.00 C ATOM 859 CG ASP A 54 -15.452 8.838 1.598 1.00 0.00 C ATOM 860 OD1 ASP A 54 -15.615 8.757 0.391 1.00 0.00 O ATOM 861 OD2 ASP A 54 -16.342 9.102 2.390 1.00 0.00 O ATOM 0 H ASP A 54 -14.283 6.756 0.492 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.078 9.324 0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.043 7.697 2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.746 9.424 2.788 1.00 0.00 H new ATOM 866 N GLU A 55 -11.313 7.022 1.919 1.00 0.00 N ATOM 867 CA GLU A 55 -9.954 6.763 2.476 1.00 0.00 C ATOM 868 C GLU A 55 -8.907 6.912 1.370 1.00 0.00 C ATOM 869 O GLU A 55 -8.034 7.754 1.438 1.00 0.00 O ATOM 870 CB GLU A 55 -9.899 5.342 3.041 1.00 0.00 C ATOM 871 CG GLU A 55 -9.446 5.389 4.502 1.00 0.00 C ATOM 872 CD GLU A 55 -10.670 5.458 5.415 1.00 0.00 C ATOM 873 OE1 GLU A 55 -11.743 5.755 4.914 1.00 0.00 O ATOM 874 OE2 GLU A 55 -10.516 5.213 6.600 1.00 0.00 O ATOM 0 H GLU A 55 -11.920 6.205 1.856 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.745 7.481 3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.880 4.873 2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.210 4.733 2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.853 4.506 4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.807 6.256 4.668 1.00 0.00 H new ATOM 881 N ILE A 56 -8.985 6.097 0.355 1.00 0.00 N ATOM 882 CA ILE A 56 -7.993 6.187 -0.755 1.00 0.00 C ATOM 883 C ILE A 56 -7.755 7.655 -1.116 1.00 0.00 C ATOM 884 O ILE A 56 -6.656 8.050 -1.452 1.00 0.00 O ATOM 885 CB ILE A 56 -8.531 5.439 -1.975 1.00 0.00 C ATOM 886 CG1 ILE A 56 -8.624 3.946 -1.653 1.00 0.00 C ATOM 887 CG2 ILE A 56 -7.588 5.646 -3.161 1.00 0.00 C ATOM 888 CD1 ILE A 56 -9.797 3.329 -2.417 1.00 0.00 C ATOM 0 H ILE A 56 -9.693 5.371 0.245 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.051 5.739 -0.438 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.520 5.821 -2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.695 3.446 -1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.759 3.802 -0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.973 5.112 -4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.519 6.709 -3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.598 5.264 -2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.862 2.266 -2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.723 3.822 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.643 3.460 -3.488 1.00 0.00 H new ATOM 900 N LEU A 57 -8.774 8.467 -1.054 1.00 0.00 N ATOM 901 CA LEU A 57 -8.602 9.907 -1.396 1.00 0.00 C ATOM 902 C LEU A 57 -7.500 10.513 -0.521 1.00 0.00 C ATOM 903 O LEU A 57 -6.539 11.069 -1.014 1.00 0.00 O ATOM 904 CB LEU A 57 -9.915 10.652 -1.148 1.00 0.00 C ATOM 905 CG LEU A 57 -9.756 12.118 -1.557 1.00 0.00 C ATOM 906 CD1 LEU A 57 -9.395 12.197 -3.041 1.00 0.00 C ATOM 907 CD2 LEU A 57 -11.072 12.859 -1.311 1.00 0.00 C ATOM 0 H LEU A 57 -9.719 8.196 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.325 9.999 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.721 10.190 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.190 10.585 -0.095 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.963 12.578 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.282 13.241 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.459 11.668 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.187 11.739 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.961 13.904 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.864 12.400 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.329 12.802 -0.253 1.00 0.00 H new ATOM 919 N GLY A 58 -7.635 10.415 0.772 1.00 0.00 N ATOM 920 CA GLY A 58 -6.598 10.988 1.677 1.00 0.00 C ATOM 921 C GLY A 58 -5.219 10.447 1.293 1.00 0.00 C ATOM 922 O GLY A 58 -4.263 11.188 1.166 1.00 0.00 O ATOM 0 H GLY A 58 -8.419 9.963 1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.604 12.076 1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.824 10.732 2.712 1.00 0.00 H new ATOM 926 N ALA A 59 -5.106 9.160 1.107 1.00 0.00 N ATOM 927 CA ALA A 59 -3.789 8.574 0.734 1.00 0.00 C ATOM 928 C ALA A 59 -3.235 9.298 -0.496 1.00 0.00 C ATOM 929 O ALA A 59 -2.050 9.543 -0.601 1.00 0.00 O ATOM 930 CB ALA A 59 -3.966 7.088 0.413 1.00 0.00 C ATOM 0 H ALA A 59 -5.869 8.490 1.197 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.093 8.688 1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.003 6.658 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.359 6.571 1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.662 6.976 -0.418 1.00 0.00 H new ATOM 936 N VAL A 60 -4.082 9.641 -1.427 1.00 0.00 N ATOM 937 CA VAL A 60 -3.599 10.348 -2.646 1.00 0.00 C ATOM 938 C VAL A 60 -3.209 11.783 -2.286 1.00 0.00 C ATOM 939 O VAL A 60 -2.351 12.377 -2.905 1.00 0.00 O ATOM 940 CB VAL A 60 -4.708 10.373 -3.699 1.00 0.00 C ATOM 941 CG1 VAL A 60 -4.099 10.634 -5.078 1.00 0.00 C ATOM 942 CG2 VAL A 60 -5.431 9.025 -3.709 1.00 0.00 C ATOM 0 H VAL A 60 -5.086 9.463 -1.396 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.731 9.824 -3.045 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.417 11.165 -3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.890 10.652 -5.828 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.583 11.594 -5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.389 9.842 -5.318 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.222 9.042 -4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.721 8.233 -3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.866 8.838 -2.727 1.00 0.00 H new ATOM 952 N ASP A 61 -3.838 12.347 -1.292 1.00 0.00 N ATOM 953 CA ASP A 61 -3.508 13.746 -0.896 1.00 0.00 C ATOM 954 C ASP A 61 -2.085 13.803 -0.330 1.00 0.00 C ATOM 955 O ASP A 61 -1.353 14.742 -0.567 1.00 0.00 O ATOM 956 CB ASP A 61 -4.499 14.219 0.170 1.00 0.00 C ATOM 957 CG ASP A 61 -4.299 15.713 0.429 1.00 0.00 C ATOM 958 OD1 ASP A 61 -3.244 16.218 0.083 1.00 0.00 O ATOM 959 OD2 ASP A 61 -5.204 16.326 0.970 1.00 0.00 O ATOM 0 H ASP A 61 -4.567 11.900 -0.736 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.573 14.393 -1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.521 14.030 -0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.353 13.657 1.092 1.00 0.00 H new ATOM 964 N LEU A 62 -1.691 12.812 0.422 1.00 0.00 N ATOM 965 CA LEU A 62 -0.319 12.823 1.006 1.00 0.00 C ATOM 966 C LEU A 62 0.711 12.474 -0.072 1.00 0.00 C ATOM 967 O LEU A 62 1.759 13.083 -0.161 1.00 0.00 O ATOM 968 CB LEU A 62 -0.237 11.795 2.136 1.00 0.00 C ATOM 969 CG LEU A 62 -0.063 12.518 3.473 1.00 0.00 C ATOM 970 CD1 LEU A 62 -0.920 11.833 4.539 1.00 0.00 C ATOM 971 CD2 LEU A 62 1.408 12.467 3.893 1.00 0.00 C ATOM 0 H LEU A 62 -2.258 11.997 0.657 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.106 13.818 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.141 11.187 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.600 11.117 1.965 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.376 13.557 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.796 12.348 5.492 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.968 11.868 4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.607 10.794 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.532 12.982 4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.720 11.428 3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.020 12.955 3.134 1.00 0.00 H new ATOM 983 N ALA A 63 0.429 11.494 -0.885 1.00 0.00 N ATOM 984 CA ALA A 63 1.399 11.104 -1.948 1.00 0.00 C ATOM 985 C ALA A 63 1.515 12.223 -2.985 1.00 0.00 C ATOM 986 O ALA A 63 2.531 12.378 -3.633 1.00 0.00 O ATOM 987 CB ALA A 63 0.911 9.826 -2.633 1.00 0.00 C ATOM 0 H ALA A 63 -0.431 10.946 -0.860 1.00 0.00 H new ATOM 0 HA ALA A 63 2.376 10.932 -1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.618 9.538 -3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.835 9.025 -1.897 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.068 10.003 -3.079 1.00 0.00 H new ATOM 993 N ARG A 64 0.483 13.003 -3.155 1.00 0.00 N ATOM 994 CA ARG A 64 0.540 14.105 -4.158 1.00 0.00 C ATOM 995 C ARG A 64 1.353 15.275 -3.598 1.00 0.00 C ATOM 996 O ARG A 64 1.992 16.003 -4.331 1.00 0.00 O ATOM 997 CB ARG A 64 -0.879 14.578 -4.478 1.00 0.00 C ATOM 998 CG ARG A 64 -0.986 14.898 -5.969 1.00 0.00 C ATOM 999 CD ARG A 64 -0.622 16.364 -6.204 1.00 0.00 C ATOM 1000 NE ARG A 64 -1.698 17.238 -5.656 1.00 0.00 N ATOM 1001 CZ ARG A 64 -1.736 18.503 -5.973 1.00 0.00 C ATOM 1002 NH1 ARG A 64 -0.711 19.061 -6.559 1.00 0.00 N ATOM 1003 NH2 ARG A 64 -2.797 19.212 -5.705 1.00 0.00 N ATOM 0 H ARG A 64 -0.396 12.926 -2.644 1.00 0.00 H new ATOM 0 HA ARG A 64 1.017 13.738 -5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.600 13.807 -4.208 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.121 15.462 -3.887 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.319 14.251 -6.539 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.999 14.703 -6.322 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.329 16.595 -5.724 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.494 16.552 -7.270 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.405 16.847 -5.033 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.120 18.508 -6.769 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.741 20.050 -6.807 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.598 18.778 -5.247 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.826 20.201 -5.953 1.00 0.00 H new ATOM 1017 N LYS A 65 1.333 15.466 -2.308 1.00 0.00 N ATOM 1018 CA LYS A 65 2.102 16.596 -1.712 1.00 0.00 C ATOM 1019 C LYS A 65 3.567 16.190 -1.541 1.00 0.00 C ATOM 1020 O LYS A 65 4.356 16.912 -0.964 1.00 0.00 O ATOM 1021 CB LYS A 65 1.511 16.954 -0.347 1.00 0.00 C ATOM 1022 CG LYS A 65 1.687 18.453 -0.096 1.00 0.00 C ATOM 1023 CD LYS A 65 0.643 18.927 0.918 1.00 0.00 C ATOM 1024 CE LYS A 65 0.306 20.395 0.654 1.00 0.00 C ATOM 1025 NZ LYS A 65 -1.162 20.538 0.444 1.00 0.00 N ATOM 0 H LYS A 65 0.819 14.890 -1.641 1.00 0.00 H new ATOM 0 HA LYS A 65 2.041 17.460 -2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.454 16.690 -0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.006 16.382 0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.691 18.654 0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.579 19.004 -1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.257 18.317 0.842 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.025 18.807 1.932 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.625 21.009 1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.846 20.751 -0.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.391 21.536 0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.453 19.964 -0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.667 20.214 1.293 1.00 0.00 H new ATOM 1039 N SER A 66 3.941 15.041 -2.034 1.00 0.00 N ATOM 1040 CA SER A 66 5.358 14.602 -1.893 1.00 0.00 C ATOM 1041 C SER A 66 5.896 14.151 -3.253 1.00 0.00 C ATOM 1042 O SER A 66 6.990 13.632 -3.356 1.00 0.00 O ATOM 1043 CB SER A 66 5.436 13.437 -0.905 1.00 0.00 C ATOM 1044 OG SER A 66 5.443 13.946 0.422 1.00 0.00 O ATOM 0 H SER A 66 3.329 14.390 -2.526 1.00 0.00 H new ATOM 0 HA SER A 66 5.957 15.434 -1.524 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.587 12.768 -1.046 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.337 12.851 -1.087 1.00 0.00 H new ATOM 0 HG SER A 66 5.491 13.202 1.058 1.00 0.00 H new ATOM 1050 N SER A 67 5.138 14.343 -4.297 1.00 0.00 N ATOM 1051 CA SER A 67 5.610 13.924 -5.647 1.00 0.00 C ATOM 1052 C SER A 67 6.076 12.468 -5.593 1.00 0.00 C ATOM 1053 O SER A 67 7.055 12.096 -6.211 1.00 0.00 O ATOM 1054 CB SER A 67 6.773 14.817 -6.081 1.00 0.00 C ATOM 1055 OG SER A 67 6.415 16.180 -5.892 1.00 0.00 O ATOM 0 H SER A 67 4.213 14.772 -4.274 1.00 0.00 H new ATOM 0 HA SER A 67 4.794 14.018 -6.364 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.665 14.580 -5.501 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.016 14.635 -7.128 1.00 0.00 H new ATOM 0 HG SER A 67 7.159 16.755 -6.168 1.00 0.00 H new ATOM 1061 N LYS A 68 5.386 11.639 -4.858 1.00 0.00 N ATOM 1062 CA LYS A 68 5.790 10.208 -4.764 1.00 0.00 C ATOM 1063 C LYS A 68 5.166 9.423 -5.922 1.00 0.00 C ATOM 1064 O LYS A 68 4.193 9.855 -6.506 1.00 0.00 O ATOM 1065 CB LYS A 68 5.304 9.618 -3.436 1.00 0.00 C ATOM 1066 CG LYS A 68 5.199 10.722 -2.383 1.00 0.00 C ATOM 1067 CD LYS A 68 5.593 10.164 -1.015 1.00 0.00 C ATOM 1068 CE LYS A 68 7.087 9.833 -1.009 1.00 0.00 C ATOM 1069 NZ LYS A 68 7.841 10.955 -0.381 1.00 0.00 N ATOM 0 H LYS A 68 4.559 11.892 -4.318 1.00 0.00 H new ATOM 0 HA LYS A 68 6.877 10.139 -4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.334 9.141 -3.573 1.00 0.00 H new ATOM 0 HB3 LYS A 68 5.994 8.845 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.850 11.555 -2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.181 11.111 -2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.368 10.892 -0.235 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.011 9.269 -0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.264 8.909 -0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.438 9.670 -2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.695 10.583 0.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.114 11.642 -1.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.240 11.424 0.327 1.00 0.00 H new ATOM 1083 N PRO A 69 5.746 8.286 -6.212 1.00 0.00 N ATOM 1084 CA PRO A 69 5.269 7.407 -7.292 1.00 0.00 C ATOM 1085 C PRO A 69 4.030 6.628 -6.833 1.00 0.00 C ATOM 1086 O PRO A 69 4.113 5.737 -6.010 1.00 0.00 O ATOM 1087 CB PRO A 69 6.452 6.465 -7.537 1.00 0.00 C ATOM 1088 CG PRO A 69 7.296 6.478 -6.241 1.00 0.00 C ATOM 1089 CD PRO A 69 6.931 7.775 -5.492 1.00 0.00 C ATOM 0 HA PRO A 69 4.972 7.948 -8.191 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.105 5.457 -7.765 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.044 6.798 -8.389 1.00 0.00 H new ATOM 0 HG2 PRO A 69 7.079 5.603 -5.629 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.361 6.450 -6.472 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.707 7.580 -4.443 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.751 8.493 -5.515 1.00 0.00 H new ATOM 1097 N ILE A 70 2.883 6.963 -7.358 1.00 0.00 N ATOM 1098 CA ILE A 70 1.639 6.249 -6.954 1.00 0.00 C ATOM 1099 C ILE A 70 1.162 5.363 -8.106 1.00 0.00 C ATOM 1100 O ILE A 70 0.781 5.845 -9.155 1.00 0.00 O ATOM 1101 CB ILE A 70 0.550 7.272 -6.619 1.00 0.00 C ATOM 1102 CG1 ILE A 70 1.035 8.185 -5.491 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -0.718 6.542 -6.172 1.00 0.00 C ATOM 1104 CD1 ILE A 70 0.394 9.566 -5.644 1.00 0.00 C ATOM 0 H ILE A 70 2.754 7.701 -8.050 1.00 0.00 H new ATOM 0 HA ILE A 70 1.843 5.632 -6.079 1.00 0.00 H new ATOM 0 HB ILE A 70 0.332 7.871 -7.504 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.774 7.756 -4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.121 8.271 -5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.493 7.271 -5.934 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.066 5.892 -6.975 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.500 5.942 -5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.738 10.218 -4.841 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.677 9.994 -6.606 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.691 9.471 -5.594 1.00 0.00 H new ATOM 1116 N ILE A 71 1.176 4.072 -7.921 1.00 0.00 N ATOM 1117 CA ILE A 71 0.721 3.159 -9.007 1.00 0.00 C ATOM 1118 C ILE A 71 -0.643 2.572 -8.637 1.00 0.00 C ATOM 1119 O ILE A 71 -0.903 2.250 -7.494 1.00 0.00 O ATOM 1120 CB ILE A 71 1.735 2.027 -9.181 1.00 0.00 C ATOM 1121 CG1 ILE A 71 3.064 2.607 -9.669 1.00 0.00 C ATOM 1122 CG2 ILE A 71 1.211 1.023 -10.208 1.00 0.00 C ATOM 1123 CD1 ILE A 71 4.221 1.777 -9.110 1.00 0.00 C ATOM 0 H ILE A 71 1.483 3.610 -7.065 1.00 0.00 H new ATOM 0 HA ILE A 71 0.637 3.715 -9.940 1.00 0.00 H new ATOM 0 HB ILE A 71 1.884 1.523 -8.226 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.095 2.606 -10.759 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.159 3.645 -9.349 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.935 0.217 -10.331 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.263 0.610 -9.862 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.061 1.525 -11.164 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.167 2.191 -9.458 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.193 1.801 -8.021 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.128 0.746 -9.452 1.00 0.00 H new ATOM 1135 N THR A 72 -1.518 2.429 -9.595 1.00 0.00 N ATOM 1136 CA THR A 72 -2.864 1.865 -9.295 1.00 0.00 C ATOM 1137 C THR A 72 -2.980 0.465 -9.905 1.00 0.00 C ATOM 1138 O THR A 72 -2.603 0.239 -11.038 1.00 0.00 O ATOM 1139 CB THR A 72 -3.942 2.772 -9.892 1.00 0.00 C ATOM 1140 OG1 THR A 72 -3.613 4.129 -9.628 1.00 0.00 O ATOM 1141 CG2 THR A 72 -5.296 2.442 -9.263 1.00 0.00 C ATOM 0 H THR A 72 -1.359 2.678 -10.571 1.00 0.00 H new ATOM 0 HA THR A 72 -2.998 1.803 -8.215 1.00 0.00 H new ATOM 0 HB THR A 72 -3.997 2.612 -10.969 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.764 4.351 -10.065 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.063 3.089 -9.689 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.547 1.401 -9.465 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.245 2.601 -8.186 1.00 0.00 H new ATOM 1149 N VAL A 73 -3.498 -0.476 -9.163 1.00 0.00 N ATOM 1150 CA VAL A 73 -3.635 -1.860 -9.704 1.00 0.00 C ATOM 1151 C VAL A 73 -5.082 -2.098 -10.143 1.00 0.00 C ATOM 1152 O VAL A 73 -6.017 -1.788 -9.432 1.00 0.00 O ATOM 1153 CB VAL A 73 -3.260 -2.872 -8.620 1.00 0.00 C ATOM 1154 CG1 VAL A 73 -3.222 -4.276 -9.224 1.00 0.00 C ATOM 1155 CG2 VAL A 73 -1.880 -2.525 -8.053 1.00 0.00 C ATOM 0 H VAL A 73 -3.832 -0.348 -8.208 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.971 -1.980 -10.560 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.001 -2.839 -7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.955 -4.997 -8.452 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.203 -4.525 -9.629 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.481 -4.309 -10.023 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.612 -3.246 -7.280 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.140 -2.558 -8.852 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.905 -1.524 -7.622 1.00 0.00 H new ATOM 1165 N ARG A 74 -5.273 -2.650 -11.310 1.00 0.00 N ATOM 1166 CA ARG A 74 -6.658 -2.910 -11.793 1.00 0.00 C ATOM 1167 C ARG A 74 -7.384 -3.814 -10.791 1.00 0.00 C ATOM 1168 O ARG A 74 -6.756 -4.555 -10.060 1.00 0.00 O ATOM 1169 CB ARG A 74 -6.601 -3.601 -13.157 1.00 0.00 C ATOM 1170 CG ARG A 74 -6.066 -2.619 -14.203 1.00 0.00 C ATOM 1171 CD ARG A 74 -5.273 -3.382 -15.266 1.00 0.00 C ATOM 1172 NE ARG A 74 -5.468 -2.731 -16.592 1.00 0.00 N ATOM 1173 CZ ARG A 74 -6.305 -3.243 -17.454 1.00 0.00 C ATOM 1174 NH1 ARG A 74 -7.589 -3.054 -17.309 1.00 0.00 N ATOM 1175 NH2 ARG A 74 -5.859 -3.943 -18.461 1.00 0.00 N ATOM 0 H ARG A 74 -4.530 -2.932 -11.949 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.195 -1.966 -11.887 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.958 -4.480 -13.105 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.594 -3.948 -13.443 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.892 -2.081 -14.668 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.430 -1.874 -13.725 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.214 -3.394 -15.007 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.603 -4.420 -15.306 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.948 -1.886 -16.827 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.938 -2.506 -16.522 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.243 -3.454 -17.982 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.856 -4.091 -18.575 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.513 -4.343 -19.134 1.00 0.00 H new ATOM 1189 N PRO A 75 -8.689 -3.724 -10.788 1.00 0.00 N ATOM 1190 CA PRO A 75 -9.539 -4.521 -9.887 1.00 0.00 C ATOM 1191 C PRO A 75 -9.674 -5.953 -10.409 1.00 0.00 C ATOM 1192 O PRO A 75 -9.460 -6.221 -11.574 1.00 0.00 O ATOM 1193 CB PRO A 75 -10.886 -3.794 -9.927 1.00 0.00 C ATOM 1194 CG PRO A 75 -10.908 -2.988 -11.247 1.00 0.00 C ATOM 1195 CD PRO A 75 -9.440 -2.819 -11.684 1.00 0.00 C ATOM 0 HA PRO A 75 -9.136 -4.604 -8.878 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.712 -4.504 -9.892 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.997 -3.134 -9.067 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.482 -3.512 -12.011 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.383 -2.018 -11.101 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.302 -3.090 -12.731 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.109 -1.786 -11.576 1.00 0.00 H new ATOM 1203 N TYR A 76 -10.026 -6.875 -9.556 1.00 0.00 N ATOM 1204 CA TYR A 76 -10.174 -8.288 -10.002 1.00 0.00 C ATOM 1205 C TYR A 76 -11.543 -8.477 -10.658 1.00 0.00 C ATOM 1206 O TYR A 76 -11.649 -8.950 -11.772 1.00 0.00 O ATOM 1207 CB TYR A 76 -10.053 -9.219 -8.795 1.00 0.00 C ATOM 1208 CG TYR A 76 -10.081 -10.655 -9.257 1.00 0.00 C ATOM 1209 CD1 TYR A 76 -11.305 -11.279 -9.532 1.00 0.00 C ATOM 1210 CD2 TYR A 76 -8.882 -11.365 -9.410 1.00 0.00 C ATOM 1211 CE1 TYR A 76 -11.331 -12.613 -9.959 1.00 0.00 C ATOM 1212 CE2 TYR A 76 -8.908 -12.699 -9.839 1.00 0.00 C ATOM 1213 CZ TYR A 76 -10.133 -13.323 -10.112 1.00 0.00 C ATOM 1214 OH TYR A 76 -10.159 -14.637 -10.533 1.00 0.00 O ATOM 0 H TYR A 76 -10.218 -6.710 -8.568 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.391 -8.525 -10.723 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.126 -9.017 -8.259 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.870 -9.035 -8.098 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.229 -10.732 -9.415 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.939 -10.884 -9.197 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -12.275 -13.094 -10.170 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.985 -13.246 -9.959 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.243 -14.981 -10.588 1.00 0.00 H new ATOM 1224 N GLY A 77 -12.594 -8.112 -9.974 1.00 0.00 N ATOM 1225 CA GLY A 77 -13.956 -8.272 -10.560 1.00 0.00 C ATOM 1226 C GLY A 77 -14.883 -7.192 -10.001 1.00 0.00 C ATOM 1227 O GLY A 77 -15.617 -7.417 -9.059 1.00 0.00 O ATOM 0 H GLY A 77 -12.568 -7.711 -9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.907 -8.197 -11.646 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.350 -9.261 -10.326 1.00 0.00 H new ATOM 1231 N LEU A 78 -14.856 -6.019 -10.573 1.00 0.00 N ATOM 1232 CA LEU A 78 -15.737 -4.927 -10.072 1.00 0.00 C ATOM 1233 C LEU A 78 -15.680 -3.741 -11.036 1.00 0.00 C ATOM 1234 O LEU A 78 -16.661 -3.057 -11.251 1.00 0.00 O ATOM 1235 CB LEU A 78 -15.258 -4.481 -8.689 1.00 0.00 C ATOM 1236 CG LEU A 78 -16.395 -4.638 -7.679 1.00 0.00 C ATOM 1237 CD1 LEU A 78 -15.926 -5.513 -6.516 1.00 0.00 C ATOM 1238 CD2 LEU A 78 -16.799 -3.262 -7.148 1.00 0.00 C ATOM 0 H LEU A 78 -14.263 -5.770 -11.365 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.762 -5.291 -10.004 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.399 -5.077 -8.381 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.930 -3.442 -8.724 1.00 0.00 H new ATOM 0 HG LEU A 78 -17.251 -5.106 -8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.736 -5.625 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.637 -6.494 -6.892 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.071 -5.044 -6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.610 -3.374 -6.428 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.943 -2.794 -6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.133 -2.636 -7.976 1.00 0.00 H new ATOM 1250 N GLU A 79 -14.538 -3.490 -11.616 1.00 0.00 N ATOM 1251 CA GLU A 79 -14.420 -2.347 -12.562 1.00 0.00 C ATOM 1252 C GLU A 79 -14.601 -1.036 -11.798 1.00 0.00 C ATOM 1253 O GLU A 79 -15.556 -0.858 -11.067 1.00 0.00 O ATOM 1254 CB GLU A 79 -15.495 -2.461 -13.643 1.00 0.00 C ATOM 1255 CG GLU A 79 -15.631 -3.922 -14.075 1.00 0.00 C ATOM 1256 CD GLU A 79 -14.259 -4.463 -14.482 1.00 0.00 C ATOM 1257 OE1 GLU A 79 -13.520 -4.872 -13.600 1.00 0.00 O ATOM 1258 OE2 GLU A 79 -13.970 -4.458 -15.667 1.00 0.00 O ATOM 0 H GLU A 79 -13.683 -4.027 -11.475 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.436 -2.364 -13.030 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -16.448 -2.093 -13.263 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.232 -1.840 -14.500 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -16.041 -4.517 -13.259 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -16.328 -4.002 -14.909 1.00 0.00 H new ATOM 1265 N ASN A 80 -13.691 -0.119 -11.960 1.00 0.00 N ATOM 1266 CA ASN A 80 -13.804 1.182 -11.243 1.00 0.00 C ATOM 1267 C ASN A 80 -12.519 1.983 -11.452 1.00 0.00 C ATOM 1268 O ASN A 80 -12.023 2.627 -10.549 1.00 0.00 O ATOM 1269 CB ASN A 80 -14.011 0.926 -9.748 1.00 0.00 C ATOM 1270 CG ASN A 80 -15.432 1.332 -9.351 1.00 0.00 C ATOM 1271 OD1 ASN A 80 -16.048 2.150 -10.006 1.00 0.00 O ATOM 1272 ND2 ASN A 80 -15.981 0.793 -8.298 1.00 0.00 N ATOM 0 H ASN A 80 -12.871 -0.213 -12.559 1.00 0.00 H new ATOM 0 HA ASN A 80 -14.653 1.743 -11.633 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -13.846 -0.128 -9.523 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -13.284 1.493 -9.167 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -16.927 1.058 -8.024 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -15.464 0.107 -7.748 1.00 0.00 H new ATOM 1279 N VAL A 81 -11.974 1.947 -12.638 1.00 0.00 N ATOM 1280 CA VAL A 81 -10.721 2.706 -12.906 1.00 0.00 C ATOM 1281 C VAL A 81 -10.984 3.758 -13.986 1.00 0.00 C ATOM 1282 O VAL A 81 -10.644 3.562 -15.136 1.00 0.00 O ATOM 1283 CB VAL A 81 -9.634 1.745 -13.389 1.00 0.00 C ATOM 1284 CG1 VAL A 81 -8.392 2.540 -13.793 1.00 0.00 C ATOM 1285 CG2 VAL A 81 -9.271 0.775 -12.261 1.00 0.00 C ATOM 0 H VAL A 81 -12.343 1.424 -13.432 1.00 0.00 H new ATOM 0 HA VAL A 81 -10.392 3.197 -11.990 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.003 1.184 -14.248 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.617 1.855 -14.137 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.648 3.231 -14.596 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.024 3.102 -12.934 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.496 0.090 -12.605 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.903 1.337 -11.402 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -10.155 0.207 -11.971 1.00 0.00 H new ATOM 1295 N PRO A 82 -11.584 4.847 -13.581 1.00 0.00 N ATOM 1296 CA PRO A 82 -11.911 5.958 -14.491 1.00 0.00 C ATOM 1297 C PRO A 82 -10.664 6.802 -14.775 1.00 0.00 C ATOM 1298 O PRO A 82 -9.619 6.577 -14.196 1.00 0.00 O ATOM 1299 CB PRO A 82 -12.952 6.766 -13.710 1.00 0.00 C ATOM 1300 CG PRO A 82 -12.744 6.417 -12.217 1.00 0.00 C ATOM 1301 CD PRO A 82 -11.993 5.073 -12.180 1.00 0.00 C ATOM 0 HA PRO A 82 -12.278 5.624 -15.462 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.822 7.835 -13.881 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -13.962 6.512 -14.031 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.171 7.195 -11.713 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.701 6.341 -11.700 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.130 5.117 -11.516 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.633 4.269 -11.818 1.00 0.00 H new ATOM 1309 N PRO A 83 -10.815 7.755 -15.660 1.00 0.00 N ATOM 1310 CA PRO A 83 -9.721 8.662 -16.050 1.00 0.00 C ATOM 1311 C PRO A 83 -9.527 9.758 -14.996 1.00 0.00 C ATOM 1312 O PRO A 83 -8.796 10.706 -15.203 1.00 0.00 O ATOM 1313 CB PRO A 83 -10.209 9.261 -17.372 1.00 0.00 C ATOM 1314 CG PRO A 83 -11.750 9.117 -17.375 1.00 0.00 C ATOM 1315 CD PRO A 83 -12.092 8.012 -16.358 1.00 0.00 C ATOM 0 HA PRO A 83 -8.759 8.157 -16.141 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.917 10.308 -17.455 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -9.769 8.738 -18.221 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.227 10.058 -17.100 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.112 8.854 -18.369 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.867 8.336 -15.664 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.463 7.115 -16.854 1.00 0.00 H new ATOM 1323 N GLU A 84 -10.176 9.640 -13.869 1.00 0.00 N ATOM 1324 CA GLU A 84 -10.027 10.678 -12.812 1.00 0.00 C ATOM 1325 C GLU A 84 -8.764 10.402 -11.991 1.00 0.00 C ATOM 1326 O GLU A 84 -7.893 11.241 -11.875 1.00 0.00 O ATOM 1327 CB GLU A 84 -11.249 10.644 -11.891 1.00 0.00 C ATOM 1328 CG GLU A 84 -12.000 11.974 -11.986 1.00 0.00 C ATOM 1329 CD GLU A 84 -11.543 12.899 -10.856 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -11.426 12.422 -9.739 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -11.320 14.067 -11.126 1.00 0.00 O ATOM 0 H GLU A 84 -10.802 8.870 -13.636 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.947 11.660 -13.279 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.907 9.822 -12.173 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.937 10.464 -10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.812 12.442 -12.952 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.074 11.803 -11.919 1.00 0.00 H new ATOM 1338 N LEU A 85 -8.657 9.234 -11.418 1.00 0.00 N ATOM 1339 CA LEU A 85 -7.451 8.912 -10.603 1.00 0.00 C ATOM 1340 C LEU A 85 -6.244 8.719 -11.523 1.00 0.00 C ATOM 1341 O LEU A 85 -5.116 8.647 -11.075 1.00 0.00 O ATOM 1342 CB LEU A 85 -7.698 7.624 -9.812 1.00 0.00 C ATOM 1343 CG LEU A 85 -6.793 7.599 -8.580 1.00 0.00 C ATOM 1344 CD1 LEU A 85 -7.634 7.339 -7.329 1.00 0.00 C ATOM 1345 CD2 LEU A 85 -5.754 6.485 -8.734 1.00 0.00 C ATOM 0 H LEU A 85 -9.352 8.490 -11.479 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.253 9.732 -9.913 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.743 7.566 -9.509 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.499 6.756 -10.440 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.288 8.560 -8.483 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.986 7.322 -6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.375 8.131 -7.217 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.141 6.379 -7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.108 6.466 -7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.261 5.525 -8.832 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.152 6.670 -9.624 1.00 0.00 H new ATOM 1357 N GLU A 86 -6.467 8.632 -12.805 1.00 0.00 N ATOM 1358 CA GLU A 86 -5.329 8.442 -13.748 1.00 0.00 C ATOM 1359 C GLU A 86 -4.515 9.734 -13.835 1.00 0.00 C ATOM 1360 O GLU A 86 -3.326 9.714 -14.087 1.00 0.00 O ATOM 1361 CB GLU A 86 -5.869 8.085 -15.135 1.00 0.00 C ATOM 1362 CG GLU A 86 -4.761 7.429 -15.962 1.00 0.00 C ATOM 1363 CD GLU A 86 -4.175 8.454 -16.934 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -4.818 8.730 -17.933 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -3.091 8.945 -16.663 1.00 0.00 O ATOM 0 H GLU A 86 -7.388 8.684 -13.241 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.691 7.635 -13.387 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.718 7.408 -15.043 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.230 8.982 -15.638 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.980 7.047 -15.305 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.159 6.577 -16.512 1.00 0.00 H new ATOM 1372 N ALA A 87 -5.145 10.858 -13.631 1.00 0.00 N ATOM 1373 CA ALA A 87 -4.406 12.151 -13.705 1.00 0.00 C ATOM 1374 C ALA A 87 -3.401 12.235 -12.555 1.00 0.00 C ATOM 1375 O ALA A 87 -2.564 13.115 -12.513 1.00 0.00 O ATOM 1376 CB ALA A 87 -5.398 13.312 -13.601 1.00 0.00 C ATOM 0 H ALA A 87 -6.139 10.938 -13.416 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.874 12.210 -14.655 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.858 14.258 -13.655 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.113 13.255 -14.422 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.930 13.252 -12.652 1.00 0.00 H new ATOM 1382 N VAL A 88 -3.475 11.327 -11.620 1.00 0.00 N ATOM 1383 CA VAL A 88 -2.520 11.359 -10.477 1.00 0.00 C ATOM 1384 C VAL A 88 -1.550 10.181 -10.591 1.00 0.00 C ATOM 1385 O VAL A 88 -0.351 10.357 -10.672 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.294 11.258 -9.162 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -2.472 11.885 -8.034 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -4.624 12.004 -9.296 1.00 0.00 C ATOM 0 H VAL A 88 -4.154 10.566 -11.599 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.960 12.294 -10.497 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.484 10.209 -8.933 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.025 11.812 -7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.524 11.356 -7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.281 12.934 -8.262 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.177 11.933 -8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.432 13.052 -9.525 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.212 11.559 -10.099 1.00 0.00 H new ATOM 1398 N SER A 89 -2.059 8.981 -10.598 1.00 0.00 N ATOM 1399 CA SER A 89 -1.165 7.794 -10.707 1.00 0.00 C ATOM 1400 C SER A 89 -0.202 7.991 -11.879 1.00 0.00 C ATOM 1401 O SER A 89 -0.517 8.650 -12.850 1.00 0.00 O ATOM 1402 CB SER A 89 -2.009 6.541 -10.944 1.00 0.00 C ATOM 1403 OG SER A 89 -1.720 5.582 -9.935 1.00 0.00 O ATOM 0 H SER A 89 -3.055 8.770 -10.533 1.00 0.00 H new ATOM 0 HA SER A 89 -0.597 7.679 -9.784 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.069 6.794 -10.928 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.795 6.125 -11.929 1.00 0.00 H new ATOM 0 HG SER A 89 -0.750 5.456 -9.872 1.00 0.00 H new ATOM 1409 N SER A 90 0.970 7.423 -11.798 1.00 0.00 N ATOM 1410 CA SER A 90 1.951 7.580 -12.907 1.00 0.00 C ATOM 1411 C SER A 90 2.045 6.269 -13.691 1.00 0.00 C ATOM 1412 O SER A 90 2.465 6.243 -14.830 1.00 0.00 O ATOM 1413 CB SER A 90 3.323 7.930 -12.331 1.00 0.00 C ATOM 1414 OG SER A 90 3.305 9.270 -11.858 1.00 0.00 O ATOM 0 H SER A 90 1.290 6.857 -11.012 1.00 0.00 H new ATOM 0 HA SER A 90 1.624 8.380 -13.572 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.574 7.248 -11.518 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.092 7.812 -13.095 1.00 0.00 H new ATOM 0 HG SER A 90 4.183 9.498 -11.486 1.00 0.00 H new ATOM 1420 N GLU A 91 1.655 5.178 -13.088 1.00 0.00 N ATOM 1421 CA GLU A 91 1.719 3.870 -13.798 1.00 0.00 C ATOM 1422 C GLU A 91 0.632 2.943 -13.254 1.00 0.00 C ATOM 1423 O GLU A 91 0.067 3.178 -12.203 1.00 0.00 O ATOM 1424 CB GLU A 91 3.093 3.234 -13.576 1.00 0.00 C ATOM 1425 CG GLU A 91 3.995 3.542 -14.773 1.00 0.00 C ATOM 1426 CD GLU A 91 5.147 2.534 -14.818 1.00 0.00 C ATOM 1427 OE1 GLU A 91 5.056 1.530 -14.131 1.00 0.00 O ATOM 1428 OE2 GLU A 91 6.099 2.786 -15.537 1.00 0.00 O ATOM 0 H GLU A 91 1.295 5.137 -12.135 1.00 0.00 H new ATOM 0 HA GLU A 91 1.562 4.027 -14.865 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.541 3.620 -12.660 1.00 0.00 H new ATOM 0 HB3 GLU A 91 2.991 2.156 -13.451 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.419 3.494 -15.697 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.388 4.556 -14.694 1.00 0.00 H new ATOM 1435 N VAL A 92 0.329 1.890 -13.963 1.00 0.00 N ATOM 1436 CA VAL A 92 -0.724 0.950 -13.489 1.00 0.00 C ATOM 1437 C VAL A 92 -0.198 -0.484 -13.554 1.00 0.00 C ATOM 1438 O VAL A 92 0.738 -0.782 -14.268 1.00 0.00 O ATOM 1439 CB VAL A 92 -1.958 1.078 -14.384 1.00 0.00 C ATOM 1440 CG1 VAL A 92 -2.681 2.390 -14.076 1.00 0.00 C ATOM 1441 CG2 VAL A 92 -1.521 1.069 -15.850 1.00 0.00 C ATOM 0 H VAL A 92 0.766 1.641 -14.850 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.990 1.193 -12.460 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.632 0.242 -14.197 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.560 2.480 -14.714 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.989 2.399 -13.031 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.010 3.228 -14.263 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.398 1.160 -16.492 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.848 1.906 -16.034 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.006 0.134 -16.070 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.797 -1.376 -12.815 1.00 0.00 N ATOM 1452 CA VAL A 93 -0.338 -2.794 -12.835 1.00 0.00 C ATOM 1453 C VAL A 93 -1.538 -3.705 -13.097 1.00 0.00 C ATOM 1454 O VAL A 93 -2.674 -3.319 -12.909 1.00 0.00 O ATOM 1455 CB VAL A 93 0.290 -3.146 -11.486 1.00 0.00 C ATOM 1456 CG1 VAL A 93 0.536 -4.653 -11.415 1.00 0.00 C ATOM 1457 CG2 VAL A 93 1.622 -2.405 -11.338 1.00 0.00 C ATOM 0 H VAL A 93 -1.586 -1.184 -12.197 1.00 0.00 H new ATOM 0 HA VAL A 93 0.403 -2.930 -13.622 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.384 -2.850 -10.682 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.984 -4.904 -10.453 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.411 -5.182 -11.523 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.211 -4.950 -12.218 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.072 -2.654 -10.377 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.295 -2.703 -12.142 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.448 -1.330 -11.390 1.00 0.00 H new ATOM 1467 N GLY A 94 -1.299 -4.910 -13.536 1.00 0.00 N ATOM 1468 CA GLY A 94 -2.432 -5.836 -13.812 1.00 0.00 C ATOM 1469 C GLY A 94 -2.413 -6.991 -12.811 1.00 0.00 C ATOM 1470 O GLY A 94 -1.930 -6.860 -11.704 1.00 0.00 O ATOM 0 H GLY A 94 -0.370 -5.292 -13.715 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.378 -5.299 -13.743 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.358 -6.223 -14.829 1.00 0.00 H new ATOM 1474 N TRP A 95 -2.934 -8.125 -13.193 1.00 0.00 N ATOM 1475 CA TRP A 95 -2.946 -9.292 -12.267 1.00 0.00 C ATOM 1476 C TRP A 95 -1.917 -10.322 -12.738 1.00 0.00 C ATOM 1477 O TRP A 95 -2.214 -11.491 -12.878 1.00 0.00 O ATOM 1478 CB TRP A 95 -4.337 -9.930 -12.268 1.00 0.00 C ATOM 1479 CG TRP A 95 -5.216 -9.218 -11.290 1.00 0.00 C ATOM 1480 CD1 TRP A 95 -6.045 -8.193 -11.594 1.00 0.00 C ATOM 1481 CD2 TRP A 95 -5.369 -9.459 -9.861 1.00 0.00 C ATOM 1482 NE1 TRP A 95 -6.698 -7.788 -10.444 1.00 0.00 N ATOM 1483 CE2 TRP A 95 -6.314 -8.537 -9.349 1.00 0.00 C ATOM 1484 CE3 TRP A 95 -4.783 -10.377 -8.968 1.00 0.00 C ATOM 1485 CZ2 TRP A 95 -6.667 -8.529 -7.998 1.00 0.00 C ATOM 1486 CZ3 TRP A 95 -5.137 -10.371 -7.607 1.00 0.00 C ATOM 1487 CH2 TRP A 95 -6.076 -9.448 -7.124 1.00 0.00 C ATOM 0 H TRP A 95 -3.352 -8.293 -14.108 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.698 -8.960 -11.259 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.771 -9.879 -13.267 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.264 -10.985 -12.006 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.176 -7.761 -12.575 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.379 -7.030 -10.409 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -4.057 -11.090 -9.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.392 -7.818 -7.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.684 -11.080 -6.931 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -6.343 -9.447 -6.077 1.00 0.00 H new ATOM 1498 N ASN A 96 -0.710 -9.896 -12.989 1.00 0.00 N ATOM 1499 CA ASN A 96 0.332 -10.854 -13.457 1.00 0.00 C ATOM 1500 C ASN A 96 1.556 -10.772 -12.539 1.00 0.00 C ATOM 1501 O ASN A 96 1.721 -9.814 -11.810 1.00 0.00 O ATOM 1502 CB ASN A 96 0.743 -10.503 -14.889 1.00 0.00 C ATOM 1503 CG ASN A 96 -0.457 -9.926 -15.642 1.00 0.00 C ATOM 1504 OD1 ASN A 96 -1.038 -8.945 -15.221 1.00 0.00 O ATOM 1505 ND2 ASN A 96 -0.858 -10.497 -16.744 1.00 0.00 N ATOM 0 H ASN A 96 -0.400 -8.929 -12.891 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.071 -11.866 -13.432 1.00 0.00 H new ATOM 0 HB2 ASN A 96 1.559 -9.780 -14.877 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.112 -11.392 -15.400 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.658 -10.120 -17.252 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -0.371 -11.320 -17.098 1.00 0.00 H new ATOM 1512 N PRO A 97 2.380 -11.788 -12.605 1.00 0.00 N ATOM 1513 CA PRO A 97 3.605 -11.874 -11.793 1.00 0.00 C ATOM 1514 C PRO A 97 4.709 -10.994 -12.389 1.00 0.00 C ATOM 1515 O PRO A 97 5.409 -10.295 -11.683 1.00 0.00 O ATOM 1516 CB PRO A 97 3.984 -13.356 -11.874 1.00 0.00 C ATOM 1517 CG PRO A 97 3.312 -13.909 -13.154 1.00 0.00 C ATOM 1518 CD PRO A 97 2.162 -12.945 -13.499 1.00 0.00 C ATOM 0 HA PRO A 97 3.465 -11.529 -10.769 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.066 -13.478 -11.920 1.00 0.00 H new ATOM 0 HB3 PRO A 97 3.639 -13.894 -10.991 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.028 -13.967 -13.974 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.935 -14.918 -12.989 1.00 0.00 H new ATOM 0 HD2 PRO A 97 2.191 -12.649 -14.548 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.190 -13.406 -13.324 1.00 0.00 H new ATOM 1526 N HIS A 98 4.872 -11.025 -13.684 1.00 0.00 N ATOM 1527 CA HIS A 98 5.931 -10.195 -14.323 1.00 0.00 C ATOM 1528 C HIS A 98 5.492 -8.728 -14.356 1.00 0.00 C ATOM 1529 O HIS A 98 6.306 -7.828 -14.377 1.00 0.00 O ATOM 1530 CB HIS A 98 6.168 -10.687 -15.752 1.00 0.00 C ATOM 1531 CG HIS A 98 7.646 -10.773 -16.019 1.00 0.00 C ATOM 1532 ND1 HIS A 98 8.208 -11.817 -16.736 1.00 0.00 N ATOM 1533 CD2 HIS A 98 8.690 -9.950 -15.674 1.00 0.00 C ATOM 1534 CE1 HIS A 98 9.534 -11.598 -16.800 1.00 0.00 C ATOM 1535 NE2 HIS A 98 9.881 -10.473 -16.168 1.00 0.00 N ATOM 0 H HIS A 98 4.317 -11.590 -14.327 1.00 0.00 H new ATOM 0 HA HIS A 98 6.852 -10.281 -13.747 1.00 0.00 H new ATOM 0 HB2 HIS A 98 5.706 -11.664 -15.892 1.00 0.00 H new ATOM 0 HB3 HIS A 98 5.699 -10.008 -16.464 1.00 0.00 H new ATOM 0 HD2 HIS A 98 8.600 -9.036 -15.106 1.00 0.00 H new ATOM 0 HE1 HIS A 98 10.233 -12.252 -17.301 1.00 0.00 H new ATOM 0 HE2 HIS A 98 10.818 -10.082 -16.069 1.00 0.00 H new ATOM 1543 N CYS A 99 4.211 -8.481 -14.363 1.00 0.00 N ATOM 1544 CA CYS A 99 3.724 -7.071 -14.399 1.00 0.00 C ATOM 1545 C CYS A 99 4.189 -6.331 -13.142 1.00 0.00 C ATOM 1546 O CYS A 99 4.957 -5.393 -13.211 1.00 0.00 O ATOM 1547 CB CYS A 99 2.195 -7.061 -14.461 1.00 0.00 C ATOM 1548 SG CYS A 99 1.660 -7.359 -16.162 1.00 0.00 S ATOM 0 H CYS A 99 3.481 -9.193 -14.345 1.00 0.00 H new ATOM 0 HA CYS A 99 4.128 -6.573 -15.280 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.788 -7.827 -13.801 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.812 -6.102 -14.111 1.00 0.00 H new ATOM 0 HG CYS A 99 0.362 -7.332 -16.220 1.00 0.00 H new ATOM 1554 N ILE A 100 3.724 -6.742 -11.995 1.00 0.00 N ATOM 1555 CA ILE A 100 4.133 -6.060 -10.733 1.00 0.00 C ATOM 1556 C ILE A 100 5.644 -5.813 -10.742 1.00 0.00 C ATOM 1557 O ILE A 100 6.138 -4.916 -10.089 1.00 0.00 O ATOM 1558 CB ILE A 100 3.771 -6.940 -9.538 1.00 0.00 C ATOM 1559 CG1 ILE A 100 2.248 -7.003 -9.393 1.00 0.00 C ATOM 1560 CG2 ILE A 100 4.377 -6.348 -8.265 1.00 0.00 C ATOM 1561 CD1 ILE A 100 1.883 -7.937 -8.238 1.00 0.00 C ATOM 0 H ILE A 100 3.077 -7.522 -11.876 1.00 0.00 H new ATOM 0 HA ILE A 100 3.612 -5.105 -10.657 1.00 0.00 H new ATOM 0 HB ILE A 100 4.165 -7.944 -9.696 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.848 -6.006 -9.208 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.798 -7.360 -10.319 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.118 -6.976 -7.413 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.461 -6.301 -8.366 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.984 -5.344 -8.108 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.799 -7.982 -8.135 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.270 -8.936 -8.441 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.320 -7.560 -7.313 1.00 0.00 H new ATOM 1573 N ARG A 101 6.384 -6.602 -11.472 1.00 0.00 N ATOM 1574 CA ARG A 101 7.861 -6.408 -11.512 1.00 0.00 C ATOM 1575 C ARG A 101 8.197 -5.174 -12.354 1.00 0.00 C ATOM 1576 O ARG A 101 8.987 -4.340 -11.961 1.00 0.00 O ATOM 1577 CB ARG A 101 8.521 -7.643 -12.128 1.00 0.00 C ATOM 1578 CG ARG A 101 9.370 -8.347 -11.069 1.00 0.00 C ATOM 1579 CD ARG A 101 10.697 -7.604 -10.901 1.00 0.00 C ATOM 1580 NE ARG A 101 11.704 -8.165 -11.845 1.00 0.00 N ATOM 1581 CZ ARG A 101 12.809 -8.685 -11.385 1.00 0.00 C ATOM 1582 NH1 ARG A 101 12.761 -9.652 -10.511 1.00 0.00 N ATOM 1583 NH2 ARG A 101 13.963 -8.236 -11.798 1.00 0.00 N ATOM 0 H ARG A 101 6.031 -7.371 -12.041 1.00 0.00 H new ATOM 0 HA ARG A 101 8.234 -6.264 -10.498 1.00 0.00 H new ATOM 0 HB2 ARG A 101 7.760 -8.323 -12.511 1.00 0.00 H new ATOM 0 HB3 ARG A 101 9.143 -7.352 -12.974 1.00 0.00 H new ATOM 0 HG2 ARG A 101 8.835 -8.377 -10.120 1.00 0.00 H new ATOM 0 HG3 ARG A 101 9.554 -9.380 -11.363 1.00 0.00 H new ATOM 0 HD2 ARG A 101 10.557 -6.540 -11.092 1.00 0.00 H new ATOM 0 HD3 ARG A 101 11.052 -7.700 -9.875 1.00 0.00 H new ATOM 0 HE ARG A 101 11.530 -8.143 -12.850 1.00 0.00 H new ATOM 0 HH11 ARG A 101 11.859 -10.002 -10.187 1.00 0.00 H new ATOM 0 HH12 ARG A 101 13.625 -10.058 -10.152 1.00 0.00 H new ATOM 0 HH21 ARG A 101 14.001 -7.479 -12.480 1.00 0.00 H new ATOM 0 HH22 ARG A 101 14.827 -8.642 -11.438 1.00 0.00 H new ATOM 1597 N ASP A 102 7.604 -5.053 -13.511 1.00 0.00 N ATOM 1598 CA ASP A 102 7.894 -3.873 -14.375 1.00 0.00 C ATOM 1599 C ASP A 102 7.386 -2.600 -13.694 1.00 0.00 C ATOM 1600 O ASP A 102 7.774 -1.502 -14.042 1.00 0.00 O ATOM 1601 CB ASP A 102 7.190 -4.044 -15.723 1.00 0.00 C ATOM 1602 CG ASP A 102 7.720 -5.297 -16.422 1.00 0.00 C ATOM 1603 OD1 ASP A 102 8.748 -5.799 -15.997 1.00 0.00 O ATOM 1604 OD2 ASP A 102 7.091 -5.733 -17.372 1.00 0.00 O ATOM 0 H ASP A 102 6.933 -5.719 -13.894 1.00 0.00 H new ATOM 0 HA ASP A 102 8.970 -3.795 -14.532 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.113 -4.126 -15.575 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.360 -3.167 -16.348 1.00 0.00 H new ATOM 1609 N ALA A 103 6.519 -2.734 -12.728 1.00 0.00 N ATOM 1610 CA ALA A 103 5.988 -1.529 -12.031 1.00 0.00 C ATOM 1611 C ALA A 103 7.087 -0.915 -11.159 1.00 0.00 C ATOM 1612 O ALA A 103 7.460 0.228 -11.330 1.00 0.00 O ATOM 1613 CB ALA A 103 4.802 -1.929 -11.150 1.00 0.00 C ATOM 0 H ALA A 103 6.156 -3.626 -12.391 1.00 0.00 H new ATOM 0 HA ALA A 103 5.661 -0.798 -12.771 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.414 -1.047 -10.640 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.018 -2.364 -11.770 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.128 -2.661 -10.411 1.00 0.00 H new ATOM 1619 N LEU A 104 7.608 -1.665 -10.228 1.00 0.00 N ATOM 1620 CA LEU A 104 8.682 -1.122 -9.348 1.00 0.00 C ATOM 1621 C LEU A 104 9.906 -0.768 -10.193 1.00 0.00 C ATOM 1622 O LEU A 104 10.579 0.213 -9.948 1.00 0.00 O ATOM 1623 CB LEU A 104 9.067 -2.175 -8.306 1.00 0.00 C ATOM 1624 CG LEU A 104 7.999 -2.228 -7.214 1.00 0.00 C ATOM 1625 CD1 LEU A 104 7.664 -3.686 -6.898 1.00 0.00 C ATOM 1626 CD2 LEU A 104 8.526 -1.541 -5.952 1.00 0.00 C ATOM 0 H LEU A 104 7.337 -2.630 -10.038 1.00 0.00 H new ATOM 0 HA LEU A 104 8.320 -0.226 -8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.166 -3.152 -8.780 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.036 -1.933 -7.870 1.00 0.00 H new ATOM 0 HG LEU A 104 7.101 -1.716 -7.559 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.902 -3.724 -6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.289 -4.176 -7.796 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.562 -4.199 -6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.765 -1.578 -5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.424 -2.053 -5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.765 -0.501 -6.176 1.00 0.00 H new ATOM 1638 N GLU A 105 10.201 -1.560 -11.188 1.00 0.00 N ATOM 1639 CA GLU A 105 11.382 -1.266 -12.048 1.00 0.00 C ATOM 1640 C GLU A 105 11.309 0.183 -12.532 1.00 0.00 C ATOM 1641 O GLU A 105 12.270 0.922 -12.456 1.00 0.00 O ATOM 1642 CB GLU A 105 11.381 -2.208 -13.253 1.00 0.00 C ATOM 1643 CG GLU A 105 12.026 -3.539 -12.863 1.00 0.00 C ATOM 1644 CD GLU A 105 12.283 -4.370 -14.123 1.00 0.00 C ATOM 1645 OE1 GLU A 105 11.442 -4.345 -15.006 1.00 0.00 O ATOM 1646 OE2 GLU A 105 13.316 -5.016 -14.182 1.00 0.00 O ATOM 0 H GLU A 105 9.676 -2.397 -11.442 1.00 0.00 H new ATOM 0 HA GLU A 105 12.297 -1.412 -11.474 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.360 -2.374 -13.597 1.00 0.00 H new ATOM 0 HB3 GLU A 105 11.927 -1.756 -14.081 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.963 -3.361 -12.335 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.374 -4.085 -12.181 1.00 0.00 H new ATOM 1653 N ASP A 106 10.176 0.594 -13.032 1.00 0.00 N ATOM 1654 CA ASP A 106 10.041 1.994 -13.522 1.00 0.00 C ATOM 1655 C ASP A 106 10.165 2.962 -12.343 1.00 0.00 C ATOM 1656 O ASP A 106 10.642 4.070 -12.486 1.00 0.00 O ATOM 1657 CB ASP A 106 8.675 2.171 -14.186 1.00 0.00 C ATOM 1658 CG ASP A 106 8.749 1.694 -15.637 1.00 0.00 C ATOM 1659 OD1 ASP A 106 8.779 0.492 -15.845 1.00 0.00 O ATOM 1660 OD2 ASP A 106 8.775 2.540 -16.517 1.00 0.00 O ATOM 0 H ASP A 106 9.338 0.020 -13.122 1.00 0.00 H new ATOM 0 HA ASP A 106 10.828 2.203 -14.247 1.00 0.00 H new ATOM 0 HB2 ASP A 106 7.919 1.604 -13.643 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.374 3.218 -14.151 1.00 0.00 H new ATOM 1665 N ALA A 107 9.743 2.553 -11.178 1.00 0.00 N ATOM 1666 CA ALA A 107 9.839 3.452 -9.995 1.00 0.00 C ATOM 1667 C ALA A 107 11.298 3.862 -9.784 1.00 0.00 C ATOM 1668 O ALA A 107 11.643 5.025 -9.858 1.00 0.00 O ATOM 1669 CB ALA A 107 9.331 2.719 -8.753 1.00 0.00 C ATOM 0 H ALA A 107 9.336 1.636 -10.995 1.00 0.00 H new ATOM 0 HA ALA A 107 9.232 4.341 -10.165 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.402 3.378 -7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.292 2.427 -8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 107 9.937 1.829 -8.582 1.00 0.00 H new ATOM 1675 N LEU A 108 12.157 2.916 -9.523 1.00 0.00 N ATOM 1676 CA LEU A 108 13.593 3.251 -9.308 1.00 0.00 C ATOM 1677 C LEU A 108 14.401 2.860 -10.547 1.00 0.00 C ATOM 1678 O LEU A 108 15.536 2.437 -10.451 1.00 0.00 O ATOM 1679 CB LEU A 108 14.119 2.483 -8.094 1.00 0.00 C ATOM 1680 CG LEU A 108 14.837 3.449 -7.150 1.00 0.00 C ATOM 1681 CD1 LEU A 108 13.809 4.162 -6.269 1.00 0.00 C ATOM 1682 CD2 LEU A 108 15.811 2.667 -6.266 1.00 0.00 C ATOM 0 H LEU A 108 11.927 1.925 -9.449 1.00 0.00 H new ATOM 0 HA LEU A 108 13.693 4.322 -9.133 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.295 1.995 -7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.802 1.697 -8.416 1.00 0.00 H new ATOM 0 HG LEU A 108 15.387 4.186 -7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 108 14.321 4.850 -5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 108 13.114 4.719 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.258 3.426 -5.684 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.323 3.354 -5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.260 1.930 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.544 2.159 -6.893 1.00 0.00 H new