USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 549 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 84 HIS : no HD1:sc= 0.0604 K(o=0.61,f=-1.8) USER MOD Set 1.2: A 95 CYS SG : rot 26:sc= 0.55 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.285 USER MOD Single : A 80 ASN : amide:sc= -0.185 K(o=-0.18,f=-0.96) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot -47:sc= 0.643 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -56:sc= 0.835 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 112:sc= 0.365 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 110 ASN : amide:sc= -0.914 K(o=-0.91,f=-11!) USER MOD Single : A 113 GLN : amide:sc= -2.58 X(o=-2.6,f=-3) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -0.475 K(o=-0.47,f=-2.6!) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 SER OG : rot -125:sc= 1.21 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 GLN :FLIP amide:sc= -0.0274 F(o=-0.74,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 68 -3.942 5.771 4.690 1.00 0.00 N ATOM 60 CA GLY A 68 -2.694 5.077 4.429 1.00 0.00 C ATOM 61 C GLY A 68 -2.910 3.645 3.982 1.00 0.00 C ATOM 62 O GLY A 68 -3.853 2.986 4.421 1.00 0.00 O ATOM 0 HA2 GLY A 68 -2.137 5.614 3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.082 5.085 5.331 1.00 0.00 H new ATOM 66 N ILE A 69 -2.036 3.162 3.105 1.00 0.00 N ATOM 67 CA ILE A 69 -2.136 1.799 2.598 1.00 0.00 C ATOM 68 C ILE A 69 -0.839 1.031 2.827 1.00 0.00 C ATOM 69 O ILE A 69 0.205 1.622 3.106 1.00 0.00 O ATOM 70 CB ILE A 69 -2.473 1.780 1.096 1.00 0.00 C ATOM 71 CG1 ILE A 69 -1.359 2.456 0.293 1.00 0.00 C ATOM 72 CG2 ILE A 69 -3.807 2.468 0.843 1.00 0.00 C ATOM 73 CD1 ILE A 69 -0.258 1.508 -0.128 1.00 0.00 C ATOM 0 H ILE A 69 -1.251 3.695 2.731 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.943 1.316 3.149 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.553 0.743 0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.791 2.916 -0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.927 3.259 0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.031 2.446 -0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.594 1.948 1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.753 3.503 1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.497 2.055 -0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.200 1.066 0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.677 0.718 -0.752 1.00 0.00 H new ATOM 85 N LEU A 70 -0.911 -0.290 2.705 1.00 0.00 N ATOM 86 CA LEU A 70 0.258 -1.141 2.896 1.00 0.00 C ATOM 87 C LEU A 70 0.284 -2.270 1.870 1.00 0.00 C ATOM 88 O LEU A 70 -0.689 -3.010 1.723 1.00 0.00 O ATOM 89 CB LEU A 70 0.265 -1.722 4.311 1.00 0.00 C ATOM 90 CG LEU A 70 1.074 -3.004 4.506 1.00 0.00 C ATOM 91 CD1 LEU A 70 2.554 -2.742 4.273 1.00 0.00 C ATOM 92 CD2 LEU A 70 0.844 -3.574 5.898 1.00 0.00 C ATOM 0 H LEU A 70 -1.767 -0.795 2.475 1.00 0.00 H new ATOM 0 HA LEU A 70 1.149 -0.528 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.653 -0.964 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.766 -1.918 4.607 1.00 0.00 H new ATOM 0 HG LEU A 70 0.736 -3.738 3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.114 -3.666 4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.704 -2.381 3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.906 -1.991 4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.428 -4.486 6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.153 -2.844 6.646 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.214 -3.801 6.028 1.00 0.00 H new ATOM 104 N ILE A 71 1.403 -2.396 1.165 1.00 0.00 N ATOM 105 CA ILE A 71 1.556 -3.437 0.156 1.00 0.00 C ATOM 106 C ILE A 71 2.649 -4.425 0.547 1.00 0.00 C ATOM 107 O ILE A 71 3.753 -4.029 0.921 1.00 0.00 O ATOM 108 CB ILE A 71 1.890 -2.839 -1.223 1.00 0.00 C ATOM 109 CG1 ILE A 71 0.648 -2.190 -1.836 1.00 0.00 C ATOM 110 CG2 ILE A 71 2.443 -3.914 -2.147 1.00 0.00 C ATOM 111 CD1 ILE A 71 0.958 -1.261 -2.990 1.00 0.00 C ATOM 0 H ILE A 71 2.217 -1.791 1.274 1.00 0.00 H new ATOM 0 HA ILE A 71 0.602 -3.960 0.095 1.00 0.00 H new ATOM 0 HB ILE A 71 2.652 -2.071 -1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.028 -2.972 -2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.120 -1.632 -1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.674 -3.476 -3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.350 -4.335 -1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.701 -4.703 -2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.031 -0.837 -3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.609 -0.457 -2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.458 -1.819 -3.782 1.00 0.00 H new ATOM 123 N ARG A 72 2.335 -5.713 0.457 1.00 0.00 N ATOM 124 CA ARG A 72 3.291 -6.759 0.800 1.00 0.00 C ATOM 125 C ARG A 72 3.666 -7.579 -0.431 1.00 0.00 C ATOM 126 O ARG A 72 2.807 -7.935 -1.237 1.00 0.00 O ATOM 127 CB ARG A 72 2.710 -7.676 1.879 1.00 0.00 C ATOM 128 CG ARG A 72 2.512 -6.988 3.220 1.00 0.00 C ATOM 129 CD ARG A 72 2.565 -7.983 4.369 1.00 0.00 C ATOM 130 NE ARG A 72 3.855 -8.664 4.444 1.00 0.00 N ATOM 131 CZ ARG A 72 4.072 -9.748 5.180 1.00 0.00 C ATOM 132 NH1 ARG A 72 3.089 -10.271 5.901 1.00 0.00 N ATOM 133 NH2 ARG A 72 5.273 -10.312 5.196 1.00 0.00 N ATOM 0 H ARG A 72 1.426 -6.057 0.149 1.00 0.00 H new ATOM 0 HA ARG A 72 4.192 -6.281 1.185 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.752 -8.066 1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.373 -8.531 2.013 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.282 -6.229 3.358 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.552 -6.472 3.228 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.374 -7.463 5.308 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.772 -8.721 4.247 1.00 0.00 H new ATOM 0 HE ARG A 72 4.632 -8.286 3.901 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.164 -9.841 5.891 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.258 -11.104 6.466 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.031 -9.913 4.643 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.438 -11.144 5.762 1.00 0.00 H new ATOM 147 N GLY A 73 4.955 -7.874 -0.569 1.00 0.00 N ATOM 148 CA GLY A 73 5.421 -8.649 -1.704 1.00 0.00 C ATOM 149 C GLY A 73 5.789 -7.778 -2.888 1.00 0.00 C ATOM 150 O GLY A 73 4.995 -7.609 -3.815 1.00 0.00 O ATOM 0 H GLY A 73 5.685 -7.590 0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.289 -9.238 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.645 -9.354 -2.002 1.00 0.00 H new ATOM 154 N LEU A 74 6.995 -7.221 -2.859 1.00 0.00 N ATOM 155 CA LEU A 74 7.467 -6.360 -3.938 1.00 0.00 C ATOM 156 C LEU A 74 8.703 -6.953 -4.607 1.00 0.00 C ATOM 157 O LEU A 74 9.520 -7.623 -3.975 1.00 0.00 O ATOM 158 CB LEU A 74 7.783 -4.963 -3.402 1.00 0.00 C ATOM 159 CG LEU A 74 6.607 -4.192 -2.802 1.00 0.00 C ATOM 160 CD1 LEU A 74 7.101 -2.967 -2.048 1.00 0.00 C ATOM 161 CD2 LEU A 74 5.623 -3.789 -3.891 1.00 0.00 C ATOM 0 H LEU A 74 7.664 -7.350 -2.100 1.00 0.00 H new ATOM 0 HA LEU A 74 6.675 -6.285 -4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.558 -5.055 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.203 -4.370 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 74 6.091 -4.844 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.250 -2.431 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.767 -3.279 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.641 -2.312 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.792 -3.241 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.127 -3.155 -4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.244 -4.682 -4.388 1.00 0.00 H new ATOM 173 N PRO A 75 8.847 -6.700 -5.916 1.00 0.00 N ATOM 174 CA PRO A 75 9.982 -7.198 -6.699 1.00 0.00 C ATOM 175 C PRO A 75 11.290 -6.511 -6.322 1.00 0.00 C ATOM 176 O PRO A 75 11.298 -5.537 -5.571 1.00 0.00 O ATOM 177 CB PRO A 75 9.595 -6.859 -8.140 1.00 0.00 C ATOM 178 CG PRO A 75 8.662 -5.703 -8.020 1.00 0.00 C ATOM 179 CD PRO A 75 7.912 -5.909 -6.734 1.00 0.00 C ATOM 0 HA PRO A 75 10.160 -8.260 -6.531 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.471 -6.601 -8.735 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.115 -7.706 -8.631 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.209 -4.760 -8.006 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.979 -5.663 -8.868 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.664 -4.961 -6.257 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.973 -6.439 -6.897 1.00 0.00 H new ATOM 187 N GLY A 76 12.397 -7.025 -6.851 1.00 0.00 N ATOM 188 CA GLY A 76 13.696 -6.447 -6.559 1.00 0.00 C ATOM 189 C GLY A 76 13.992 -5.226 -7.407 1.00 0.00 C ATOM 190 O GLY A 76 15.081 -4.658 -7.331 1.00 0.00 O ATOM 0 H GLY A 76 12.417 -7.831 -7.476 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.739 -6.173 -5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 76 14.469 -7.197 -6.725 1.00 0.00 H new ATOM 194 N ASP A 77 13.021 -4.823 -8.219 1.00 0.00 N ATOM 195 CA ASP A 77 13.182 -3.662 -9.086 1.00 0.00 C ATOM 196 C ASP A 77 12.145 -2.592 -8.761 1.00 0.00 C ATOM 197 O ASP A 77 12.121 -1.527 -9.377 1.00 0.00 O ATOM 198 CB ASP A 77 13.065 -4.074 -10.554 1.00 0.00 C ATOM 199 CG ASP A 77 14.329 -4.730 -11.074 1.00 0.00 C ATOM 200 OD1 ASP A 77 15.428 -4.209 -10.790 1.00 0.00 O ATOM 201 OD2 ASP A 77 14.219 -5.765 -11.765 1.00 0.00 O ATOM 0 H ASP A 77 12.114 -5.283 -8.295 1.00 0.00 H new ATOM 0 HA ASP A 77 14.174 -3.245 -8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.228 -4.763 -10.669 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.840 -3.195 -11.158 1.00 0.00 H new ATOM 206 N VAL A 78 11.286 -2.883 -7.789 1.00 0.00 N ATOM 207 CA VAL A 78 10.245 -1.947 -7.382 1.00 0.00 C ATOM 208 C VAL A 78 10.831 -0.572 -7.079 1.00 0.00 C ATOM 209 O VAL A 78 11.628 -0.414 -6.154 1.00 0.00 O ATOM 210 CB VAL A 78 9.488 -2.455 -6.140 1.00 0.00 C ATOM 211 CG1 VAL A 78 10.441 -2.630 -4.968 1.00 0.00 C ATOM 212 CG2 VAL A 78 8.357 -1.503 -5.780 1.00 0.00 C ATOM 0 H VAL A 78 11.291 -3.760 -7.269 1.00 0.00 H new ATOM 0 HA VAL A 78 9.548 -1.866 -8.216 1.00 0.00 H new ATOM 0 HB VAL A 78 9.054 -3.428 -6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.888 -2.989 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.213 -3.353 -5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.906 -1.673 -4.731 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.833 -1.877 -4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.767 -0.516 -5.566 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.660 -1.433 -6.615 1.00 0.00 H new ATOM 222 N THR A 79 10.430 0.422 -7.866 1.00 0.00 N ATOM 223 CA THR A 79 10.915 1.784 -7.684 1.00 0.00 C ATOM 224 C THR A 79 9.766 2.743 -7.395 1.00 0.00 C ATOM 225 O THR A 79 8.599 2.400 -7.579 1.00 0.00 O ATOM 226 CB THR A 79 11.681 2.278 -8.926 1.00 0.00 C ATOM 227 OG1 THR A 79 12.157 3.611 -8.709 1.00 0.00 O ATOM 228 CG2 THR A 79 10.791 2.246 -10.159 1.00 0.00 C ATOM 0 H THR A 79 9.770 0.309 -8.636 1.00 0.00 H new ATOM 0 HA THR A 79 11.593 1.767 -6.831 1.00 0.00 H new ATOM 0 HB THR A 79 12.528 1.612 -9.092 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.644 3.917 -9.502 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.354 2.599 -11.023 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.454 1.225 -10.338 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.927 2.891 -10.001 1.00 0.00 H new ATOM 236 N ASN A 80 10.104 3.945 -6.941 1.00 0.00 N ATOM 237 CA ASN A 80 9.099 4.954 -6.627 1.00 0.00 C ATOM 238 C ASN A 80 8.177 5.193 -7.818 1.00 0.00 C ATOM 239 O ASN A 80 6.993 5.483 -7.650 1.00 0.00 O ATOM 240 CB ASN A 80 9.773 6.265 -6.218 1.00 0.00 C ATOM 241 CG ASN A 80 10.811 6.067 -5.131 1.00 0.00 C ATOM 242 OD1 ASN A 80 10.482 5.701 -4.002 1.00 0.00 O ATOM 243 ND2 ASN A 80 12.073 6.310 -5.466 1.00 0.00 N ATOM 0 H ASN A 80 11.066 4.244 -6.782 1.00 0.00 H new ATOM 0 HA ASN A 80 8.499 4.586 -5.794 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.246 6.715 -7.091 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.015 6.967 -5.869 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.815 6.195 -4.776 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.300 6.612 -6.414 1.00 0.00 H new ATOM 250 N GLN A 81 8.729 5.069 -9.021 1.00 0.00 N ATOM 251 CA GLN A 81 7.956 5.272 -10.241 1.00 0.00 C ATOM 252 C GLN A 81 6.825 4.254 -10.344 1.00 0.00 C ATOM 253 O GLN A 81 5.749 4.559 -10.857 1.00 0.00 O ATOM 254 CB GLN A 81 8.863 5.170 -11.468 1.00 0.00 C ATOM 255 CG GLN A 81 8.192 5.610 -12.759 1.00 0.00 C ATOM 256 CD GLN A 81 8.083 7.118 -12.876 1.00 0.00 C ATOM 257 OE1 GLN A 81 9.091 7.818 -12.985 1.00 0.00 O ATOM 258 NE2 GLN A 81 6.857 7.627 -12.853 1.00 0.00 N ATOM 0 H GLN A 81 9.708 4.829 -9.177 1.00 0.00 H new ATOM 0 HA GLN A 81 7.520 6.270 -10.203 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.752 5.780 -11.304 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.199 4.139 -11.576 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.757 5.224 -13.607 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.195 5.172 -12.813 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.050 7.010 -12.761 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.722 8.635 -12.927 1.00 0.00 H new ATOM 267 N GLU A 82 7.077 3.045 -9.852 1.00 0.00 N ATOM 268 CA GLU A 82 6.079 1.983 -9.890 1.00 0.00 C ATOM 269 C GLU A 82 4.864 2.346 -9.041 1.00 0.00 C ATOM 270 O GLU A 82 3.721 2.183 -9.470 1.00 0.00 O ATOM 271 CB GLU A 82 6.684 0.667 -9.397 1.00 0.00 C ATOM 272 CG GLU A 82 5.683 -0.475 -9.328 1.00 0.00 C ATOM 273 CD GLU A 82 4.807 -0.408 -8.092 1.00 0.00 C ATOM 274 OE1 GLU A 82 5.223 0.234 -7.104 1.00 0.00 O ATOM 275 OE2 GLU A 82 3.706 -0.996 -8.112 1.00 0.00 O ATOM 0 H GLU A 82 7.963 2.777 -9.423 1.00 0.00 H new ATOM 0 HA GLU A 82 5.755 1.862 -10.924 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.502 0.382 -10.059 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.114 0.823 -8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.053 -0.455 -10.217 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.219 -1.424 -9.338 1.00 0.00 H new ATOM 282 N VAL A 83 5.119 2.840 -7.834 1.00 0.00 N ATOM 283 CA VAL A 83 4.048 3.227 -6.924 1.00 0.00 C ATOM 284 C VAL A 83 3.329 4.476 -7.421 1.00 0.00 C ATOM 285 O VAL A 83 2.104 4.575 -7.340 1.00 0.00 O ATOM 286 CB VAL A 83 4.584 3.488 -5.504 1.00 0.00 C ATOM 287 CG1 VAL A 83 5.011 2.185 -4.846 1.00 0.00 C ATOM 288 CG2 VAL A 83 5.739 4.477 -5.545 1.00 0.00 C ATOM 0 H VAL A 83 6.059 2.982 -7.463 1.00 0.00 H new ATOM 0 HA VAL A 83 3.345 2.395 -6.891 1.00 0.00 H new ATOM 0 HB VAL A 83 3.783 3.923 -4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.387 2.390 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.156 1.512 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.797 1.718 -5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.106 4.650 -4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.544 4.071 -6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.396 5.419 -5.973 1.00 0.00 H new ATOM 298 N HIS A 84 4.099 5.429 -7.938 1.00 0.00 N ATOM 299 CA HIS A 84 3.535 6.673 -8.451 1.00 0.00 C ATOM 300 C HIS A 84 2.625 6.405 -9.645 1.00 0.00 C ATOM 301 O HIS A 84 1.505 6.913 -9.710 1.00 0.00 O ATOM 302 CB HIS A 84 4.653 7.636 -8.852 1.00 0.00 C ATOM 303 CG HIS A 84 5.099 8.534 -7.739 1.00 0.00 C ATOM 304 ND1 HIS A 84 4.349 9.598 -7.284 1.00 0.00 N ATOM 305 CD2 HIS A 84 6.224 8.519 -6.987 1.00 0.00 C ATOM 306 CE1 HIS A 84 4.995 10.200 -6.301 1.00 0.00 C ATOM 307 NE2 HIS A 84 6.136 9.565 -6.101 1.00 0.00 N ATOM 0 H HIS A 84 5.114 5.364 -8.013 1.00 0.00 H new ATOM 0 HA HIS A 84 2.940 7.128 -7.659 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.507 7.060 -9.207 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.312 8.248 -9.687 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.039 7.815 -7.068 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.649 11.064 -5.754 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.837 9.811 -5.403 1.00 0.00 H new ATOM 316 N ASP A 85 3.113 5.607 -10.588 1.00 0.00 N ATOM 317 CA ASP A 85 2.343 5.271 -11.780 1.00 0.00 C ATOM 318 C ASP A 85 1.089 4.485 -11.414 1.00 0.00 C ATOM 319 O ASP A 85 0.031 4.666 -12.018 1.00 0.00 O ATOM 320 CB ASP A 85 3.200 4.463 -12.756 1.00 0.00 C ATOM 321 CG ASP A 85 2.573 4.363 -14.132 1.00 0.00 C ATOM 322 OD1 ASP A 85 2.515 5.395 -14.835 1.00 0.00 O ATOM 323 OD2 ASP A 85 2.139 3.254 -14.507 1.00 0.00 O ATOM 0 H ASP A 85 4.039 5.180 -10.550 1.00 0.00 H new ATOM 0 HA ASP A 85 2.039 6.201 -12.260 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.183 4.926 -12.841 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.353 3.461 -12.356 1.00 0.00 H new ATOM 328 N LEU A 86 1.214 3.610 -10.422 1.00 0.00 N ATOM 329 CA LEU A 86 0.090 2.795 -9.975 1.00 0.00 C ATOM 330 C LEU A 86 -1.002 3.663 -9.358 1.00 0.00 C ATOM 331 O LEU A 86 -2.192 3.388 -9.517 1.00 0.00 O ATOM 332 CB LEU A 86 0.563 1.753 -8.959 1.00 0.00 C ATOM 333 CG LEU A 86 -0.524 0.862 -8.356 1.00 0.00 C ATOM 334 CD1 LEU A 86 -1.172 0.007 -9.433 1.00 0.00 C ATOM 335 CD2 LEU A 86 0.055 -0.013 -7.254 1.00 0.00 C ATOM 0 H LEU A 86 2.082 3.447 -9.912 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.325 2.285 -10.844 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.302 1.114 -9.442 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.072 2.272 -8.146 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.291 1.502 -7.919 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.943 -0.620 -8.985 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.622 0.652 -10.188 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.416 -0.625 -9.900 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.732 -0.640 -6.836 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.842 -0.645 -7.666 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.471 0.618 -6.469 1.00 0.00 H new ATOM 347 N LEU A 87 -0.590 4.713 -8.657 1.00 0.00 N ATOM 348 CA LEU A 87 -1.534 5.624 -8.018 1.00 0.00 C ATOM 349 C LEU A 87 -1.456 7.014 -8.642 1.00 0.00 C ATOM 350 O LEU A 87 -1.620 8.023 -7.957 1.00 0.00 O ATOM 351 CB LEU A 87 -1.252 5.711 -6.517 1.00 0.00 C ATOM 352 CG LEU A 87 -1.842 4.592 -5.658 1.00 0.00 C ATOM 353 CD1 LEU A 87 -1.118 4.504 -4.324 1.00 0.00 C ATOM 354 CD2 LEU A 87 -3.333 4.813 -5.444 1.00 0.00 C ATOM 0 H LEU A 87 0.391 4.955 -8.516 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.540 5.232 -8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.172 5.723 -6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.634 6.664 -6.150 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.707 3.647 -6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.552 3.702 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.062 4.297 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.221 5.449 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.736 4.007 -4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.491 5.766 -4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.841 4.824 -6.408 1.00 0.00 H new ATOM 366 N SER A 88 -1.209 7.057 -9.948 1.00 0.00 N ATOM 367 CA SER A 88 -1.108 8.323 -10.665 1.00 0.00 C ATOM 368 C SER A 88 -2.491 8.841 -11.047 1.00 0.00 C ATOM 369 O SER A 88 -2.619 9.767 -11.850 1.00 0.00 O ATOM 370 CB SER A 88 -0.249 8.156 -11.919 1.00 0.00 C ATOM 371 OG SER A 88 0.014 9.409 -12.527 1.00 0.00 O ATOM 0 H SER A 88 -1.075 6.230 -10.530 1.00 0.00 H new ATOM 0 HA SER A 88 -0.636 9.050 -10.005 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.691 7.670 -11.658 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.758 7.504 -12.628 1.00 0.00 H new ATOM 0 HG SER A 88 -0.818 9.922 -12.592 1.00 0.00 H new ATOM 377 N ASP A 89 -3.523 8.238 -10.468 1.00 0.00 N ATOM 378 CA ASP A 89 -4.898 8.638 -10.747 1.00 0.00 C ATOM 379 C ASP A 89 -5.486 9.415 -9.573 1.00 0.00 C ATOM 380 O ASP A 89 -6.410 10.211 -9.743 1.00 0.00 O ATOM 381 CB ASP A 89 -5.759 7.410 -11.044 1.00 0.00 C ATOM 382 CG ASP A 89 -5.577 6.906 -12.462 1.00 0.00 C ATOM 383 OD1 ASP A 89 -4.417 6.802 -12.912 1.00 0.00 O ATOM 384 OD2 ASP A 89 -6.596 6.614 -13.123 1.00 0.00 O ATOM 0 H ASP A 89 -3.434 7.470 -9.802 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.891 9.287 -11.623 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -5.506 6.614 -10.343 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.808 7.657 -10.881 1.00 0.00 H new ATOM 389 N TYR A 90 -4.946 9.178 -8.383 1.00 0.00 N ATOM 390 CA TYR A 90 -5.420 9.852 -7.180 1.00 0.00 C ATOM 391 C TYR A 90 -4.410 10.893 -6.706 1.00 0.00 C ATOM 392 O TYR A 90 -3.375 11.101 -7.337 1.00 0.00 O ATOM 393 CB TYR A 90 -5.681 8.834 -6.069 1.00 0.00 C ATOM 394 CG TYR A 90 -6.420 7.602 -6.538 1.00 0.00 C ATOM 395 CD1 TYR A 90 -5.738 6.528 -7.096 1.00 0.00 C ATOM 396 CD2 TYR A 90 -7.802 7.511 -6.421 1.00 0.00 C ATOM 397 CE1 TYR A 90 -6.410 5.401 -7.526 1.00 0.00 C ATOM 398 CE2 TYR A 90 -8.482 6.386 -6.848 1.00 0.00 C ATOM 399 CZ TYR A 90 -7.782 5.334 -7.400 1.00 0.00 C ATOM 400 OH TYR A 90 -8.455 4.212 -7.826 1.00 0.00 O ATOM 0 H TYR A 90 -4.179 8.524 -8.225 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.353 10.361 -7.422 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.729 8.532 -5.633 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.256 9.313 -5.277 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.664 6.575 -7.195 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.354 8.333 -5.989 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.864 4.576 -7.959 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.556 6.331 -6.750 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.415 4.325 -7.665 1.00 0.00 H new ATOM 410 N GLU A 91 -4.720 11.542 -5.588 1.00 0.00 N ATOM 411 CA GLU A 91 -3.840 12.561 -5.028 1.00 0.00 C ATOM 412 C GLU A 91 -2.833 11.940 -4.064 1.00 0.00 C ATOM 413 O GLU A 91 -3.192 11.498 -2.972 1.00 0.00 O ATOM 414 CB GLU A 91 -4.659 13.633 -4.306 1.00 0.00 C ATOM 415 CG GLU A 91 -5.079 14.785 -5.204 1.00 0.00 C ATOM 416 CD GLU A 91 -4.005 15.849 -5.328 1.00 0.00 C ATOM 417 OE1 GLU A 91 -3.190 15.980 -4.391 1.00 0.00 O ATOM 418 OE2 GLU A 91 -3.981 16.550 -6.361 1.00 0.00 O ATOM 0 H GLU A 91 -5.573 11.380 -5.053 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.293 13.024 -5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.550 13.172 -3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.075 14.026 -3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.320 14.400 -6.195 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.989 15.237 -4.808 1.00 0.00 H new ATOM 425 N LEU A 92 -1.570 11.910 -4.476 1.00 0.00 N ATOM 426 CA LEU A 92 -0.510 11.343 -3.650 1.00 0.00 C ATOM 427 C LEU A 92 0.092 12.403 -2.733 1.00 0.00 C ATOM 428 O LEU A 92 0.956 13.178 -3.145 1.00 0.00 O ATOM 429 CB LEU A 92 0.582 10.737 -4.533 1.00 0.00 C ATOM 430 CG LEU A 92 0.254 9.389 -5.177 1.00 0.00 C ATOM 431 CD1 LEU A 92 1.259 9.060 -6.270 1.00 0.00 C ATOM 432 CD2 LEU A 92 0.226 8.289 -4.126 1.00 0.00 C ATOM 0 H LEU A 92 -1.255 12.271 -5.376 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.946 10.559 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.817 11.448 -5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.484 10.620 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.735 9.456 -5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.009 8.097 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.229 9.834 -7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.260 9.012 -5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.009 7.337 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.201 8.222 -3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.534 8.519 -3.379 1.00 0.00 H new ATOM 444 N LYS A 93 -0.368 12.431 -1.487 1.00 0.00 N ATOM 445 CA LYS A 93 0.127 13.393 -0.509 1.00 0.00 C ATOM 446 C LYS A 93 1.505 12.988 0.003 1.00 0.00 C ATOM 447 O LYS A 93 2.362 13.839 0.246 1.00 0.00 O ATOM 448 CB LYS A 93 -0.851 13.508 0.663 1.00 0.00 C ATOM 449 CG LYS A 93 -2.090 14.326 0.343 1.00 0.00 C ATOM 450 CD LYS A 93 -1.774 15.810 0.268 1.00 0.00 C ATOM 451 CE LYS A 93 -1.734 16.442 1.651 1.00 0.00 C ATOM 452 NZ LYS A 93 -0.905 17.679 1.672 1.00 0.00 N ATOM 0 H LYS A 93 -1.084 11.798 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 93 0.212 14.362 -1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.156 12.508 0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.337 13.960 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.511 13.994 -0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.849 14.153 1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.814 15.954 -0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.525 16.313 -0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.749 16.679 1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.333 15.724 2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.903 18.079 2.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.069 17.449 1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.302 18.374 1.008 1.00 0.00 H new ATOM 466 N TYR A 94 1.713 11.686 0.163 1.00 0.00 N ATOM 467 CA TYR A 94 2.988 11.169 0.646 1.00 0.00 C ATOM 468 C TYR A 94 3.344 9.859 -0.049 1.00 0.00 C ATOM 469 O TYR A 94 2.511 8.960 -0.167 1.00 0.00 O ATOM 470 CB TYR A 94 2.935 10.958 2.161 1.00 0.00 C ATOM 471 CG TYR A 94 4.139 10.230 2.713 1.00 0.00 C ATOM 472 CD1 TYR A 94 5.427 10.596 2.341 1.00 0.00 C ATOM 473 CD2 TYR A 94 3.990 9.176 3.606 1.00 0.00 C ATOM 474 CE1 TYR A 94 6.531 9.933 2.842 1.00 0.00 C ATOM 475 CE2 TYR A 94 5.088 8.509 4.114 1.00 0.00 C ATOM 476 CZ TYR A 94 6.356 8.891 3.729 1.00 0.00 C ATOM 477 OH TYR A 94 7.452 8.228 4.231 1.00 0.00 O ATOM 0 H TYR A 94 1.015 10.969 -0.035 1.00 0.00 H new ATOM 0 HA TYR A 94 3.760 11.903 0.414 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.851 11.928 2.652 1.00 0.00 H new ATOM 0 HB3 TYR A 94 2.035 10.395 2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.568 11.413 1.648 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.998 8.873 3.908 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.525 10.229 2.541 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.954 7.693 4.809 1.00 0.00 H new ATOM 0 HH TYR A 94 7.998 7.890 3.490 1.00 0.00 H new ATOM 487 N CYS A 95 4.587 9.759 -0.507 1.00 0.00 N ATOM 488 CA CYS A 95 5.056 8.559 -1.192 1.00 0.00 C ATOM 489 C CYS A 95 6.267 7.966 -0.481 1.00 0.00 C ATOM 490 O CYS A 95 7.255 8.658 -0.231 1.00 0.00 O ATOM 491 CB CYS A 95 5.408 8.881 -2.645 1.00 0.00 C ATOM 492 SG CYS A 95 6.808 10.010 -2.832 1.00 0.00 S ATOM 0 H CYS A 95 5.288 10.494 -0.417 1.00 0.00 H new ATOM 0 HA CYS A 95 4.252 7.823 -1.176 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.632 7.951 -3.168 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.535 9.318 -3.131 1.00 0.00 H new ATOM 0 HG CYS A 95 7.577 9.924 -1.787 1.00 0.00 H new ATOM 498 N PHE A 96 6.185 6.680 -0.155 1.00 0.00 N ATOM 499 CA PHE A 96 7.274 5.993 0.530 1.00 0.00 C ATOM 500 C PHE A 96 7.439 4.572 0.000 1.00 0.00 C ATOM 501 O PHE A 96 6.493 3.785 -0.005 1.00 0.00 O ATOM 502 CB PHE A 96 7.016 5.961 2.038 1.00 0.00 C ATOM 503 CG PHE A 96 8.206 5.518 2.840 1.00 0.00 C ATOM 504 CD1 PHE A 96 9.293 6.360 3.014 1.00 0.00 C ATOM 505 CD2 PHE A 96 8.237 4.261 3.421 1.00 0.00 C ATOM 506 CE1 PHE A 96 10.389 5.955 3.751 1.00 0.00 C ATOM 507 CE2 PHE A 96 9.331 3.850 4.160 1.00 0.00 C ATOM 508 CZ PHE A 96 10.408 4.699 4.326 1.00 0.00 C ATOM 0 H PHE A 96 5.375 6.092 -0.354 1.00 0.00 H new ATOM 0 HA PHE A 96 8.195 6.543 0.338 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.715 6.955 2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.181 5.291 2.242 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.283 7.344 2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.397 3.594 3.295 1.00 0.00 H new ATOM 0 HE1 PHE A 96 11.231 6.620 3.878 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.343 2.867 4.607 1.00 0.00 H new ATOM 0 HZ PHE A 96 11.263 4.381 4.904 1.00 0.00 H new ATOM 518 N VAL A 97 8.649 4.250 -0.446 1.00 0.00 N ATOM 519 CA VAL A 97 8.941 2.924 -0.978 1.00 0.00 C ATOM 520 C VAL A 97 10.069 2.256 -0.200 1.00 0.00 C ATOM 521 O VAL A 97 11.196 2.750 -0.174 1.00 0.00 O ATOM 522 CB VAL A 97 9.327 2.989 -2.467 1.00 0.00 C ATOM 523 CG1 VAL A 97 9.837 1.639 -2.946 1.00 0.00 C ATOM 524 CG2 VAL A 97 8.143 3.449 -3.305 1.00 0.00 C ATOM 0 H VAL A 97 9.443 4.890 -0.449 1.00 0.00 H new ATOM 0 HA VAL A 97 8.031 2.333 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 97 10.130 3.716 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.105 1.705 -4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.715 1.355 -2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.057 0.888 -2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.434 3.489 -4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.317 2.748 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.829 4.440 -2.977 1.00 0.00 H new ATOM 534 N ASP A 98 9.758 1.130 0.432 1.00 0.00 N ATOM 535 CA ASP A 98 10.746 0.392 1.210 1.00 0.00 C ATOM 536 C ASP A 98 10.995 -0.986 0.605 1.00 0.00 C ATOM 537 O ASP A 98 10.253 -1.934 0.865 1.00 0.00 O ATOM 538 CB ASP A 98 10.282 0.249 2.660 1.00 0.00 C ATOM 539 CG ASP A 98 11.284 -0.500 3.518 1.00 0.00 C ATOM 540 OD1 ASP A 98 11.854 -1.497 3.028 1.00 0.00 O ATOM 541 OD2 ASP A 98 11.496 -0.089 4.678 1.00 0.00 O ATOM 0 H ASP A 98 8.829 0.708 0.421 1.00 0.00 H new ATOM 0 HA ASP A 98 11.680 0.953 1.189 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.114 1.239 3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.326 -0.274 2.683 1.00 0.00 H new ATOM 546 N LYS A 99 12.043 -1.091 -0.205 1.00 0.00 N ATOM 547 CA LYS A 99 12.391 -2.352 -0.848 1.00 0.00 C ATOM 548 C LYS A 99 13.029 -3.314 0.150 1.00 0.00 C ATOM 549 O LYS A 99 12.796 -4.522 0.099 1.00 0.00 O ATOM 550 CB LYS A 99 13.347 -2.106 -2.017 1.00 0.00 C ATOM 551 CG LYS A 99 14.598 -1.337 -1.629 1.00 0.00 C ATOM 552 CD LYS A 99 15.490 -1.080 -2.831 1.00 0.00 C ATOM 553 CE LYS A 99 16.316 0.184 -2.652 1.00 0.00 C ATOM 554 NZ LYS A 99 17.583 0.135 -3.435 1.00 0.00 N ATOM 0 H LYS A 99 12.667 -0.317 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 99 11.473 -2.803 -1.226 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.639 -3.065 -2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.820 -1.556 -2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.316 -0.387 -1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.152 -1.898 -0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.154 -1.931 -2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.877 -0.991 -3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.730 1.048 -2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.547 0.320 -1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.117 1.015 -3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.155 -0.675 -3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.362 0.031 -4.446 1.00 0.00 H new ATOM 568 N TYR A 100 13.833 -2.770 1.057 1.00 0.00 N ATOM 569 CA TYR A 100 14.505 -3.580 2.066 1.00 0.00 C ATOM 570 C TYR A 100 13.566 -4.646 2.623 1.00 0.00 C ATOM 571 O TYR A 100 13.847 -5.842 2.543 1.00 0.00 O ATOM 572 CB TYR A 100 15.020 -2.694 3.202 1.00 0.00 C ATOM 573 CG TYR A 100 15.786 -1.482 2.724 1.00 0.00 C ATOM 574 CD1 TYR A 100 16.914 -1.620 1.924 1.00 0.00 C ATOM 575 CD2 TYR A 100 15.384 -0.199 3.073 1.00 0.00 C ATOM 576 CE1 TYR A 100 17.618 -0.515 1.485 1.00 0.00 C ATOM 577 CE2 TYR A 100 16.082 0.912 2.638 1.00 0.00 C ATOM 578 CZ TYR A 100 17.198 0.748 1.844 1.00 0.00 C ATOM 579 OH TYR A 100 17.896 1.852 1.410 1.00 0.00 O ATOM 0 H TYR A 100 14.035 -1.772 1.114 1.00 0.00 H new ATOM 0 HA TYR A 100 15.350 -4.078 1.591 1.00 0.00 H new ATOM 0 HB2 TYR A 100 14.175 -2.364 3.806 1.00 0.00 H new ATOM 0 HB3 TYR A 100 15.664 -3.287 3.851 1.00 0.00 H new ATOM 0 HD1 TYR A 100 17.246 -2.608 1.641 1.00 0.00 H new ATOM 0 HD2 TYR A 100 14.511 -0.067 3.695 1.00 0.00 H new ATOM 0 HE1 TYR A 100 18.493 -0.640 0.864 1.00 0.00 H new ATOM 0 HE2 TYR A 100 15.756 1.903 2.918 1.00 0.00 H new ATOM 0 HH TYR A 100 17.467 2.665 1.751 1.00 0.00 H new ATOM 589 N LYS A 101 12.448 -4.203 3.188 1.00 0.00 N ATOM 590 CA LYS A 101 11.464 -5.116 3.758 1.00 0.00 C ATOM 591 C LYS A 101 10.611 -5.749 2.663 1.00 0.00 C ATOM 592 O LYS A 101 10.089 -6.851 2.829 1.00 0.00 O ATOM 593 CB LYS A 101 10.568 -4.377 4.754 1.00 0.00 C ATOM 594 CG LYS A 101 11.340 -3.588 5.798 1.00 0.00 C ATOM 595 CD LYS A 101 11.664 -4.439 7.014 1.00 0.00 C ATOM 596 CE LYS A 101 10.432 -4.672 7.875 1.00 0.00 C ATOM 597 NZ LYS A 101 10.691 -5.662 8.957 1.00 0.00 N ATOM 0 H LYS A 101 12.201 -3.216 3.263 1.00 0.00 H new ATOM 0 HA LYS A 101 12.000 -5.908 4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.915 -3.697 4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.926 -5.100 5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.264 -3.211 5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.756 -2.721 6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.070 -5.398 6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.436 -3.949 7.607 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.113 -3.727 8.316 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.613 -5.024 7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.827 -5.793 9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.971 -6.571 8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.456 -5.314 9.570 1.00 0.00 H new ATOM 611 N GLY A 102 10.475 -5.045 1.544 1.00 0.00 N ATOM 612 CA GLY A 102 9.686 -5.555 0.438 1.00 0.00 C ATOM 613 C GLY A 102 8.256 -5.051 0.466 1.00 0.00 C ATOM 614 O GLY A 102 7.338 -5.742 0.023 1.00 0.00 O ATOM 0 H GLY A 102 10.897 -4.130 1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.153 -5.263 -0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.685 -6.645 0.468 1.00 0.00 H new ATOM 618 N THR A 103 8.066 -3.844 0.988 1.00 0.00 N ATOM 619 CA THR A 103 6.738 -3.249 1.075 1.00 0.00 C ATOM 620 C THR A 103 6.782 -1.757 0.768 1.00 0.00 C ATOM 621 O THR A 103 7.829 -1.121 0.886 1.00 0.00 O ATOM 622 CB THR A 103 6.119 -3.457 2.470 1.00 0.00 C ATOM 623 OG1 THR A 103 6.816 -2.665 3.438 1.00 0.00 O ATOM 624 CG2 THR A 103 6.173 -4.923 2.873 1.00 0.00 C ATOM 0 H THR A 103 8.815 -3.259 1.357 1.00 0.00 H new ATOM 0 HA THR A 103 6.118 -3.751 0.332 1.00 0.00 H new ATOM 0 HB THR A 103 5.075 -3.146 2.430 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.224 -1.958 3.769 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.730 -5.045 3.861 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.617 -5.520 2.150 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.211 -5.256 2.897 1.00 0.00 H new ATOM 632 N ALA A 104 5.640 -1.204 0.375 1.00 0.00 N ATOM 633 CA ALA A 104 5.548 0.215 0.054 1.00 0.00 C ATOM 634 C ALA A 104 4.407 0.878 0.818 1.00 0.00 C ATOM 635 O ALA A 104 3.279 0.386 0.819 1.00 0.00 O ATOM 636 CB ALA A 104 5.365 0.407 -1.444 1.00 0.00 C ATOM 0 H ALA A 104 4.765 -1.717 0.271 1.00 0.00 H new ATOM 0 HA ALA A 104 6.480 0.692 0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 104 5.298 1.471 -1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.216 -0.023 -1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.450 -0.090 -1.765 1.00 0.00 H new ATOM 642 N PHE A 105 4.709 1.998 1.468 1.00 0.00 N ATOM 643 CA PHE A 105 3.708 2.728 2.238 1.00 0.00 C ATOM 644 C PHE A 105 3.355 4.047 1.558 1.00 0.00 C ATOM 645 O PHE A 105 4.229 4.870 1.284 1.00 0.00 O ATOM 646 CB PHE A 105 4.217 2.991 3.656 1.00 0.00 C ATOM 647 CG PHE A 105 4.449 1.739 4.452 1.00 0.00 C ATOM 648 CD1 PHE A 105 3.420 1.165 5.180 1.00 0.00 C ATOM 649 CD2 PHE A 105 5.697 1.136 4.472 1.00 0.00 C ATOM 650 CE1 PHE A 105 3.631 0.013 5.914 1.00 0.00 C ATOM 651 CE2 PHE A 105 5.914 -0.016 5.204 1.00 0.00 C ATOM 652 CZ PHE A 105 4.879 -0.579 5.925 1.00 0.00 C ATOM 0 H PHE A 105 5.638 2.419 1.477 1.00 0.00 H new ATOM 0 HA PHE A 105 2.808 2.115 2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 105 5.149 3.554 3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.496 3.618 4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 105 2.442 1.623 5.174 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.509 1.572 3.909 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.821 -0.424 6.479 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.891 -0.475 5.212 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.045 -1.480 6.496 1.00 0.00 H new ATOM 662 N VAL A 106 2.068 4.242 1.289 1.00 0.00 N ATOM 663 CA VAL A 106 1.599 5.462 0.642 1.00 0.00 C ATOM 664 C VAL A 106 0.389 6.038 1.368 1.00 0.00 C ATOM 665 O VAL A 106 -0.502 5.303 1.796 1.00 0.00 O ATOM 666 CB VAL A 106 1.226 5.208 -0.831 1.00 0.00 C ATOM 667 CG1 VAL A 106 0.884 6.516 -1.529 1.00 0.00 C ATOM 668 CG2 VAL A 106 2.359 4.491 -1.551 1.00 0.00 C ATOM 0 H VAL A 106 1.332 3.571 1.509 1.00 0.00 H new ATOM 0 HA VAL A 106 2.420 6.178 0.684 1.00 0.00 H new ATOM 0 HB VAL A 106 0.344 4.568 -0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.623 6.316 -2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.039 6.986 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.745 7.184 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.079 4.319 -2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.259 5.105 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.552 3.535 -1.065 1.00 0.00 H new ATOM 678 N THR A 107 0.362 7.361 1.505 1.00 0.00 N ATOM 679 CA THR A 107 -0.738 8.037 2.180 1.00 0.00 C ATOM 680 C THR A 107 -1.555 8.872 1.200 1.00 0.00 C ATOM 681 O THR A 107 -1.033 9.790 0.566 1.00 0.00 O ATOM 682 CB THR A 107 -0.226 8.949 3.311 1.00 0.00 C ATOM 683 OG1 THR A 107 0.810 8.286 4.044 1.00 0.00 O ATOM 684 CG2 THR A 107 -1.358 9.328 4.255 1.00 0.00 C ATOM 0 H THR A 107 1.090 7.985 1.157 1.00 0.00 H new ATOM 0 HA THR A 107 -1.372 7.260 2.607 1.00 0.00 H new ATOM 0 HB THR A 107 0.172 9.859 2.862 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.131 8.873 4.760 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.972 9.972 5.045 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.132 9.858 3.700 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.781 8.426 4.696 1.00 0.00 H new ATOM 692 N LEU A 108 -2.837 8.548 1.081 1.00 0.00 N ATOM 693 CA LEU A 108 -3.728 9.269 0.178 1.00 0.00 C ATOM 694 C LEU A 108 -4.408 10.430 0.896 1.00 0.00 C ATOM 695 O LEU A 108 -4.237 10.614 2.102 1.00 0.00 O ATOM 696 CB LEU A 108 -4.782 8.321 -0.395 1.00 0.00 C ATOM 697 CG LEU A 108 -4.382 7.556 -1.657 1.00 0.00 C ATOM 698 CD1 LEU A 108 -5.400 6.469 -1.967 1.00 0.00 C ATOM 699 CD2 LEU A 108 -4.238 8.507 -2.835 1.00 0.00 C ATOM 0 H LEU A 108 -3.284 7.791 1.598 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.129 9.672 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.048 7.597 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.680 8.898 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.417 7.081 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.099 5.935 -2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.452 5.771 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.379 6.921 -2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.953 7.944 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.188 9.011 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.470 9.248 -2.613 1.00 0.00 H new ATOM 711 N LEU A 109 -5.181 11.210 0.148 1.00 0.00 N ATOM 712 CA LEU A 109 -5.890 12.353 0.714 1.00 0.00 C ATOM 713 C LEU A 109 -6.999 11.894 1.655 1.00 0.00 C ATOM 714 O LEU A 109 -6.892 12.038 2.872 1.00 0.00 O ATOM 715 CB LEU A 109 -6.478 13.217 -0.403 1.00 0.00 C ATOM 716 CG LEU A 109 -7.517 14.253 0.026 1.00 0.00 C ATOM 717 CD1 LEU A 109 -6.897 15.273 0.968 1.00 0.00 C ATOM 718 CD2 LEU A 109 -8.116 14.943 -1.190 1.00 0.00 C ATOM 0 H LEU A 109 -5.333 11.072 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.176 12.946 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.660 13.737 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -6.934 12.559 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.317 13.738 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.652 16.002 1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.517 14.766 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.077 15.783 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.853 15.677 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.326 15.445 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.598 14.202 -1.828 1.00 0.00 H new ATOM 730 N ASN A 110 -8.062 11.340 1.082 1.00 0.00 N ATOM 731 CA ASN A 110 -9.191 10.858 1.871 1.00 0.00 C ATOM 732 C ASN A 110 -9.193 9.334 1.943 1.00 0.00 C ATOM 733 O ASN A 110 -8.280 8.678 1.445 1.00 0.00 O ATOM 734 CB ASN A 110 -10.508 11.354 1.270 1.00 0.00 C ATOM 735 CG ASN A 110 -10.619 11.047 -0.211 1.00 0.00 C ATOM 736 OD1 ASN A 110 -10.342 9.930 -0.648 1.00 0.00 O ATOM 737 ND2 ASN A 110 -11.026 12.041 -0.992 1.00 0.00 N ATOM 0 H ASN A 110 -8.166 11.213 0.075 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.090 11.251 2.883 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -11.342 10.892 1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.592 12.430 1.423 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -11.120 11.894 -1.997 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.245 12.951 -0.587 1.00 0.00 H new ATOM 744 N GLY A 111 -10.228 8.778 2.566 1.00 0.00 N ATOM 745 CA GLY A 111 -10.330 7.336 2.692 1.00 0.00 C ATOM 746 C GLY A 111 -10.958 6.691 1.472 1.00 0.00 C ATOM 747 O GLY A 111 -10.758 5.504 1.218 1.00 0.00 O ATOM 0 H GLY A 111 -10.997 9.300 2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.336 6.917 2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.923 7.092 3.574 1.00 0.00 H new ATOM 751 N GLU A 112 -11.721 7.475 0.717 1.00 0.00 N ATOM 752 CA GLU A 112 -12.383 6.971 -0.481 1.00 0.00 C ATOM 753 C GLU A 112 -11.360 6.472 -1.498 1.00 0.00 C ATOM 754 O GLU A 112 -11.551 5.429 -2.124 1.00 0.00 O ATOM 755 CB GLU A 112 -13.251 8.064 -1.109 1.00 0.00 C ATOM 756 CG GLU A 112 -14.540 8.329 -0.349 1.00 0.00 C ATOM 757 CD GLU A 112 -14.315 8.492 1.142 1.00 0.00 C ATOM 758 OE1 GLU A 112 -13.487 9.343 1.527 1.00 0.00 O ATOM 759 OE2 GLU A 112 -14.967 7.768 1.923 1.00 0.00 O ATOM 0 H GLU A 112 -11.896 8.461 0.913 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.019 6.135 -0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.675 8.988 -1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -13.495 7.780 -2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -15.011 9.230 -0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -15.234 7.506 -0.520 1.00 0.00 H new ATOM 766 N GLN A 113 -10.276 7.224 -1.656 1.00 0.00 N ATOM 767 CA GLN A 113 -9.224 6.858 -2.598 1.00 0.00 C ATOM 768 C GLN A 113 -8.448 5.643 -2.102 1.00 0.00 C ATOM 769 O GLN A 113 -8.051 4.784 -2.889 1.00 0.00 O ATOM 770 CB GLN A 113 -8.271 8.035 -2.812 1.00 0.00 C ATOM 771 CG GLN A 113 -8.940 9.258 -3.417 1.00 0.00 C ATOM 772 CD GLN A 113 -7.966 10.393 -3.666 1.00 0.00 C ATOM 773 OE1 GLN A 113 -7.874 10.914 -4.778 1.00 0.00 O ATOM 774 NE2 GLN A 113 -7.233 10.783 -2.630 1.00 0.00 N ATOM 0 H GLN A 113 -10.103 8.090 -1.145 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.694 6.603 -3.548 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -7.827 8.310 -1.856 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.456 7.718 -3.463 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.415 8.979 -4.357 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.730 9.602 -2.750 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -7.342 10.323 -1.726 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -6.561 11.543 -2.738 1.00 0.00 H new ATOM 783 N ALA A 114 -8.235 5.578 -0.791 1.00 0.00 N ATOM 784 CA ALA A 114 -7.507 4.467 -0.190 1.00 0.00 C ATOM 785 C ALA A 114 -8.232 3.146 -0.424 1.00 0.00 C ATOM 786 O ALA A 114 -7.619 2.152 -0.812 1.00 0.00 O ATOM 787 CB ALA A 114 -7.313 4.708 1.299 1.00 0.00 C ATOM 0 H ALA A 114 -8.556 6.281 -0.126 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.529 4.404 -0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -6.768 3.871 1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.746 5.627 1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.286 4.799 1.783 1.00 0.00 H new ATOM 793 N GLU A 115 -9.539 3.143 -0.184 1.00 0.00 N ATOM 794 CA GLU A 115 -10.346 1.942 -0.368 1.00 0.00 C ATOM 795 C GLU A 115 -10.403 1.544 -1.840 1.00 0.00 C ATOM 796 O GLU A 115 -10.273 0.369 -2.182 1.00 0.00 O ATOM 797 CB GLU A 115 -11.762 2.165 0.167 1.00 0.00 C ATOM 798 CG GLU A 115 -12.765 1.130 -0.315 1.00 0.00 C ATOM 799 CD GLU A 115 -13.930 0.958 0.640 1.00 0.00 C ATOM 800 OE1 GLU A 115 -13.686 0.845 1.859 1.00 0.00 O ATOM 801 OE2 GLU A 115 -15.086 0.938 0.168 1.00 0.00 O ATOM 0 H GLU A 115 -10.062 3.958 0.138 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.878 1.132 0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.736 2.153 1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.103 3.156 -0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.143 1.424 -1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -12.260 0.172 -0.443 1.00 0.00 H new ATOM 808 N ALA A 116 -10.599 2.533 -2.706 1.00 0.00 N ATOM 809 CA ALA A 116 -10.672 2.288 -4.141 1.00 0.00 C ATOM 810 C ALA A 116 -9.367 1.698 -4.665 1.00 0.00 C ATOM 811 O ALA A 116 -9.374 0.761 -5.463 1.00 0.00 O ATOM 812 CB ALA A 116 -11.006 3.575 -4.881 1.00 0.00 C ATOM 0 H ALA A 116 -10.710 3.511 -2.439 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.466 1.563 -4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -11.057 3.376 -5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -11.968 3.954 -4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -10.232 4.318 -4.686 1.00 0.00 H new ATOM 818 N ALA A 117 -8.248 2.252 -4.210 1.00 0.00 N ATOM 819 CA ALA A 117 -6.935 1.780 -4.632 1.00 0.00 C ATOM 820 C ALA A 117 -6.663 0.374 -4.107 1.00 0.00 C ATOM 821 O ALA A 117 -6.164 -0.484 -4.835 1.00 0.00 O ATOM 822 CB ALA A 117 -5.853 2.740 -4.161 1.00 0.00 C ATOM 0 H ALA A 117 -8.225 3.028 -3.549 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.922 1.742 -5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.878 2.375 -4.483 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.031 3.727 -4.589 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.874 2.807 -3.073 1.00 0.00 H new ATOM 828 N ILE A 118 -6.994 0.146 -2.840 1.00 0.00 N ATOM 829 CA ILE A 118 -6.785 -1.155 -2.219 1.00 0.00 C ATOM 830 C ILE A 118 -7.688 -2.214 -2.843 1.00 0.00 C ATOM 831 O ILE A 118 -7.270 -3.350 -3.063 1.00 0.00 O ATOM 832 CB ILE A 118 -7.046 -1.104 -0.702 1.00 0.00 C ATOM 833 CG1 ILE A 118 -6.012 -0.210 -0.015 1.00 0.00 C ATOM 834 CG2 ILE A 118 -7.018 -2.506 -0.112 1.00 0.00 C ATOM 835 CD1 ILE A 118 -6.389 0.172 1.400 1.00 0.00 C ATOM 0 H ILE A 118 -7.408 0.846 -2.224 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.742 -1.422 -2.391 1.00 0.00 H new ATOM 0 HB ILE A 118 -8.036 -0.680 -0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.051 -0.725 -0.000 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.879 0.697 -0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.204 -2.453 0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.789 -3.115 -0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.041 -2.956 -0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -5.611 0.806 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -7.334 0.715 1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -6.494 -0.729 2.004 1.00 0.00 H new ATOM 847 N ASN A 119 -8.928 -1.832 -3.129 1.00 0.00 N ATOM 848 CA ASN A 119 -9.891 -2.748 -3.730 1.00 0.00 C ATOM 849 C ASN A 119 -9.352 -3.323 -5.036 1.00 0.00 C ATOM 850 O ASN A 119 -9.449 -4.525 -5.285 1.00 0.00 O ATOM 851 CB ASN A 119 -11.218 -2.031 -3.984 1.00 0.00 C ATOM 852 CG ASN A 119 -12.407 -2.969 -3.908 1.00 0.00 C ATOM 853 OD1 ASN A 119 -12.297 -4.155 -4.221 1.00 0.00 O ATOM 854 ND2 ASN A 119 -13.552 -2.442 -3.490 1.00 0.00 N ATOM 0 H ASN A 119 -9.290 -0.895 -2.954 1.00 0.00 H new ATOM 0 HA ASN A 119 -10.058 -3.570 -3.033 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.342 -1.232 -3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -11.192 -1.562 -4.967 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -14.386 -3.025 -3.418 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.598 -1.454 -3.241 1.00 0.00 H new ATOM 861 N THR A 120 -8.783 -2.456 -5.868 1.00 0.00 N ATOM 862 CA THR A 120 -8.229 -2.877 -7.148 1.00 0.00 C ATOM 863 C THR A 120 -6.858 -3.519 -6.970 1.00 0.00 C ATOM 864 O THR A 120 -6.591 -4.597 -7.503 1.00 0.00 O ATOM 865 CB THR A 120 -8.106 -1.692 -8.124 1.00 0.00 C ATOM 866 OG1 THR A 120 -9.386 -1.080 -8.317 1.00 0.00 O ATOM 867 CG2 THR A 120 -7.549 -2.149 -9.464 1.00 0.00 C ATOM 0 H THR A 120 -8.694 -1.458 -5.678 1.00 0.00 H new ATOM 0 HA THR A 120 -8.919 -3.611 -7.565 1.00 0.00 H new ATOM 0 HB THR A 120 -7.418 -0.965 -7.692 1.00 0.00 H new ATOM 0 HG1 THR A 120 -9.298 -0.327 -8.938 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.471 -1.295 -10.136 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.561 -2.586 -9.317 1.00 0.00 H new ATOM 0 HG23 THR A 120 -8.215 -2.894 -9.900 1.00 0.00 H new ATOM 875 N PHE A 121 -5.990 -2.850 -6.217 1.00 0.00 N ATOM 876 CA PHE A 121 -4.645 -3.356 -5.969 1.00 0.00 C ATOM 877 C PHE A 121 -4.693 -4.692 -5.234 1.00 0.00 C ATOM 878 O PHE A 121 -3.771 -5.502 -5.333 1.00 0.00 O ATOM 879 CB PHE A 121 -3.838 -2.342 -5.155 1.00 0.00 C ATOM 880 CG PHE A 121 -3.787 -0.977 -5.780 1.00 0.00 C ATOM 881 CD1 PHE A 121 -3.998 -0.814 -7.140 1.00 0.00 C ATOM 882 CD2 PHE A 121 -3.529 0.144 -5.007 1.00 0.00 C ATOM 883 CE1 PHE A 121 -3.950 0.440 -7.717 1.00 0.00 C ATOM 884 CE2 PHE A 121 -3.481 1.402 -5.579 1.00 0.00 C ATOM 885 CZ PHE A 121 -3.693 1.550 -6.936 1.00 0.00 C ATOM 0 H PHE A 121 -6.194 -1.957 -5.768 1.00 0.00 H new ATOM 0 HA PHE A 121 -4.158 -3.509 -6.932 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.272 -2.261 -4.158 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -2.821 -2.714 -5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.202 -1.677 -7.756 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -3.364 0.034 -3.945 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -4.113 0.553 -8.779 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.278 2.268 -4.966 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.658 2.531 -7.385 1.00 0.00 H new ATOM 895 N HIS A 122 -5.775 -4.915 -4.494 1.00 0.00 N ATOM 896 CA HIS A 122 -5.945 -6.153 -3.741 1.00 0.00 C ATOM 897 C HIS A 122 -6.202 -7.328 -4.679 1.00 0.00 C ATOM 898 O HIS A 122 -6.644 -7.144 -5.812 1.00 0.00 O ATOM 899 CB HIS A 122 -7.099 -6.016 -2.748 1.00 0.00 C ATOM 900 CG HIS A 122 -7.557 -7.323 -2.179 1.00 0.00 C ATOM 901 ND1 HIS A 122 -6.732 -8.161 -1.459 1.00 0.00 N ATOM 902 CD2 HIS A 122 -8.764 -7.935 -2.225 1.00 0.00 C ATOM 903 CE1 HIS A 122 -7.411 -9.232 -1.088 1.00 0.00 C ATOM 904 NE2 HIS A 122 -8.647 -9.119 -1.540 1.00 0.00 N ATOM 0 H HIS A 122 -6.547 -4.255 -4.400 1.00 0.00 H new ATOM 0 HA HIS A 122 -5.024 -6.345 -3.191 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -6.790 -5.362 -1.932 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.939 -5.531 -3.245 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -9.653 -7.561 -2.710 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -7.022 -10.059 -0.513 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -9.393 -9.801 -1.402 1.00 0.00 H new ATOM 913 N GLN A 123 -5.920 -8.535 -4.198 1.00 0.00 N ATOM 914 CA GLN A 123 -6.120 -9.740 -4.995 1.00 0.00 C ATOM 915 C GLN A 123 -5.542 -9.568 -6.396 1.00 0.00 C ATOM 916 O GLN A 123 -5.996 -10.203 -7.348 1.00 0.00 O ATOM 917 CB GLN A 123 -7.609 -10.078 -5.083 1.00 0.00 C ATOM 918 CG GLN A 123 -8.409 -9.090 -5.916 1.00 0.00 C ATOM 919 CD GLN A 123 -9.768 -9.630 -6.317 1.00 0.00 C ATOM 920 OE1 GLN A 123 -10.633 -9.856 -5.471 1.00 0.00 O ATOM 921 NE2 GLN A 123 -9.963 -9.839 -7.614 1.00 0.00 N ATOM 0 H GLN A 123 -5.553 -8.704 -3.262 1.00 0.00 H new ATOM 0 HA GLN A 123 -5.597 -10.561 -4.504 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.722 -11.075 -5.509 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.025 -10.112 -4.076 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.541 -8.168 -5.351 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.844 -8.836 -6.813 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.218 -9.638 -8.281 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -10.858 -10.201 -7.943 1.00 0.00 H new ATOM 930 N SER A 124 -4.538 -8.705 -6.515 1.00 0.00 N ATOM 931 CA SER A 124 -3.900 -8.447 -7.800 1.00 0.00 C ATOM 932 C SER A 124 -2.663 -9.322 -7.979 1.00 0.00 C ATOM 933 O SER A 124 -2.253 -10.031 -7.060 1.00 0.00 O ATOM 934 CB SER A 124 -3.515 -6.970 -7.915 1.00 0.00 C ATOM 935 OG SER A 124 -2.392 -6.672 -7.103 1.00 0.00 O ATOM 0 H SER A 124 -4.149 -8.173 -5.737 1.00 0.00 H new ATOM 0 HA SER A 124 -4.613 -8.692 -8.587 1.00 0.00 H new ATOM 0 HB2 SER A 124 -3.291 -6.729 -8.954 1.00 0.00 H new ATOM 0 HB3 SER A 124 -4.358 -6.347 -7.618 1.00 0.00 H new ATOM 0 HG SER A 124 -2.610 -5.927 -6.504 1.00 0.00 H new ATOM 941 N ARG A 125 -2.074 -9.266 -9.169 1.00 0.00 N ATOM 942 CA ARG A 125 -0.885 -10.054 -9.470 1.00 0.00 C ATOM 943 C ARG A 125 0.174 -9.199 -10.159 1.00 0.00 C ATOM 944 O ARG A 125 -0.143 -8.198 -10.803 1.00 0.00 O ATOM 945 CB ARG A 125 -1.248 -11.247 -10.356 1.00 0.00 C ATOM 946 CG ARG A 125 -1.895 -12.395 -9.598 1.00 0.00 C ATOM 947 CD ARG A 125 -1.829 -13.692 -10.389 1.00 0.00 C ATOM 948 NE ARG A 125 -2.679 -13.654 -11.576 1.00 0.00 N ATOM 949 CZ ARG A 125 -4.006 -13.673 -11.530 1.00 0.00 C ATOM 950 NH1 ARG A 125 -4.632 -13.728 -10.362 1.00 0.00 N ATOM 951 NH2 ARG A 125 -4.711 -13.635 -12.654 1.00 0.00 N ATOM 0 H ARG A 125 -2.401 -8.683 -9.940 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.475 -10.421 -8.529 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.927 -10.913 -11.141 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.346 -11.611 -10.848 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.395 -12.527 -8.639 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.935 -12.151 -9.384 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.798 -13.882 -10.688 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.134 -14.521 -9.751 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.229 -13.610 -12.490 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -4.094 -13.756 -9.496 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -5.651 -13.742 -10.330 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -4.234 -13.591 -13.554 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -5.730 -13.650 -12.617 1.00 0.00 H new ATOM 965 N LEU A 126 1.433 -9.599 -10.019 1.00 0.00 N ATOM 966 CA LEU A 126 2.540 -8.869 -10.627 1.00 0.00 C ATOM 967 C LEU A 126 3.689 -9.811 -10.972 1.00 0.00 C ATOM 968 O LEU A 126 4.076 -10.656 -10.165 1.00 0.00 O ATOM 969 CB LEU A 126 3.032 -7.770 -9.684 1.00 0.00 C ATOM 970 CG LEU A 126 4.361 -7.111 -10.056 1.00 0.00 C ATOM 971 CD1 LEU A 126 4.240 -6.378 -11.383 1.00 0.00 C ATOM 972 CD2 LEU A 126 4.810 -6.158 -8.958 1.00 0.00 C ATOM 0 H LEU A 126 1.713 -10.425 -9.490 1.00 0.00 H new ATOM 0 HA LEU A 126 2.179 -8.413 -11.549 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.267 -6.995 -9.632 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.127 -8.193 -8.684 1.00 0.00 H new ATOM 0 HG LEU A 126 5.114 -7.892 -10.162 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.195 -5.915 -11.632 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.965 -7.085 -12.166 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.473 -5.607 -11.304 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.757 -5.698 -9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.057 -5.382 -8.819 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.938 -6.710 -8.027 1.00 0.00 H new ATOM 984 N ARG A 127 4.233 -9.657 -12.175 1.00 0.00 N ATOM 985 CA ARG A 127 5.339 -10.493 -12.627 1.00 0.00 C ATOM 986 C ARG A 127 5.126 -11.946 -12.213 1.00 0.00 C ATOM 987 O ARG A 127 6.075 -12.647 -11.865 1.00 0.00 O ATOM 988 CB ARG A 127 6.661 -9.978 -12.056 1.00 0.00 C ATOM 989 CG ARG A 127 6.861 -8.482 -12.238 1.00 0.00 C ATOM 990 CD ARG A 127 7.261 -8.143 -13.665 1.00 0.00 C ATOM 991 NE ARG A 127 8.050 -6.916 -13.735 1.00 0.00 N ATOM 992 CZ ARG A 127 8.526 -6.412 -14.869 1.00 0.00 C ATOM 993 NH1 ARG A 127 8.294 -7.027 -16.020 1.00 0.00 N ATOM 994 NH2 ARG A 127 9.236 -5.291 -14.851 1.00 0.00 N ATOM 0 H ARG A 127 3.926 -8.961 -12.854 1.00 0.00 H new ATOM 0 HA ARG A 127 5.377 -10.445 -13.715 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.705 -10.215 -10.993 1.00 0.00 H new ATOM 0 HB3 ARG A 127 7.485 -10.507 -12.535 1.00 0.00 H new ATOM 0 HG2 ARG A 127 5.941 -7.957 -11.983 1.00 0.00 H new ATOM 0 HG3 ARG A 127 7.630 -8.130 -11.550 1.00 0.00 H new ATOM 0 HD2 ARG A 127 7.835 -8.968 -14.086 1.00 0.00 H new ATOM 0 HD3 ARG A 127 6.365 -8.033 -14.276 1.00 0.00 H new ATOM 0 HE ARG A 127 8.246 -6.419 -12.866 1.00 0.00 H new ATOM 0 HH11 ARG A 127 7.749 -7.889 -16.037 1.00 0.00 H new ATOM 0 HH12 ARG A 127 8.660 -6.638 -16.889 1.00 0.00 H new ATOM 0 HH21 ARG A 127 9.417 -4.816 -13.967 1.00 0.00 H new ATOM 0 HH22 ARG A 127 9.601 -4.905 -15.721 1.00 0.00 H new ATOM 1008 N GLU A 128 3.873 -12.390 -12.253 1.00 0.00 N ATOM 1009 CA GLU A 128 3.537 -13.759 -11.880 1.00 0.00 C ATOM 1010 C GLU A 128 3.710 -13.973 -10.379 1.00 0.00 C ATOM 1011 O GLU A 128 4.390 -14.904 -9.949 1.00 0.00 O ATOM 1012 CB GLU A 128 4.410 -14.751 -12.652 1.00 0.00 C ATOM 1013 CG GLU A 128 4.490 -14.460 -14.141 1.00 0.00 C ATOM 1014 CD GLU A 128 3.387 -15.140 -14.928 1.00 0.00 C ATOM 1015 OE1 GLU A 128 2.279 -14.571 -15.012 1.00 0.00 O ATOM 1016 OE2 GLU A 128 3.633 -16.243 -15.461 1.00 0.00 O ATOM 0 H GLU A 128 3.075 -11.822 -12.539 1.00 0.00 H new ATOM 0 HA GLU A 128 2.491 -13.931 -12.135 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.416 -14.739 -12.233 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.017 -15.757 -12.508 1.00 0.00 H new ATOM 0 HG2 GLU A 128 4.434 -13.383 -14.300 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.458 -14.789 -14.520 1.00 0.00 H new ATOM 1023 N ARG A 129 3.090 -13.103 -9.588 1.00 0.00 N ATOM 1024 CA ARG A 129 3.177 -13.195 -8.136 1.00 0.00 C ATOM 1025 C ARG A 129 1.945 -12.581 -7.478 1.00 0.00 C ATOM 1026 O ARG A 129 1.395 -11.595 -7.967 1.00 0.00 O ATOM 1027 CB ARG A 129 4.440 -12.493 -7.634 1.00 0.00 C ATOM 1028 CG ARG A 129 4.230 -11.025 -7.302 1.00 0.00 C ATOM 1029 CD ARG A 129 3.734 -10.841 -5.876 1.00 0.00 C ATOM 1030 NE ARG A 129 4.829 -10.852 -4.910 1.00 0.00 N ATOM 1031 CZ ARG A 129 5.221 -11.940 -4.256 1.00 0.00 C ATOM 1032 NH1 ARG A 129 4.612 -13.098 -4.464 1.00 0.00 N ATOM 1033 NH2 ARG A 129 6.226 -11.869 -3.392 1.00 0.00 N ATOM 0 H ARG A 129 2.522 -12.327 -9.928 1.00 0.00 H new ATOM 0 HA ARG A 129 3.224 -14.250 -7.866 1.00 0.00 H new ATOM 0 HB2 ARG A 129 4.804 -13.009 -6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 129 5.218 -12.577 -8.393 1.00 0.00 H new ATOM 0 HG2 ARG A 129 5.166 -10.483 -7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.510 -10.593 -7.997 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.193 -9.898 -5.799 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.028 -11.635 -5.633 1.00 0.00 H new ATOM 0 HE ARG A 129 5.320 -9.977 -4.727 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.840 -13.156 -5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 129 4.915 -13.931 -3.960 1.00 0.00 H new ATOM 0 HH21 ARG A 129 6.697 -10.979 -3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 129 6.527 -12.704 -2.890 1.00 0.00 H new ATOM 1047 N GLU A 130 1.517 -13.171 -6.366 1.00 0.00 N ATOM 1048 CA GLU A 130 0.350 -12.682 -5.642 1.00 0.00 C ATOM 1049 C GLU A 130 0.712 -11.482 -4.773 1.00 0.00 C ATOM 1050 O GLU A 130 1.623 -11.551 -3.947 1.00 0.00 O ATOM 1051 CB GLU A 130 -0.243 -13.794 -4.774 1.00 0.00 C ATOM 1052 CG GLU A 130 -1.352 -13.320 -3.851 1.00 0.00 C ATOM 1053 CD GLU A 130 -1.739 -14.363 -2.820 1.00 0.00 C ATOM 1054 OE1 GLU A 130 -2.101 -15.488 -3.222 1.00 0.00 O ATOM 1055 OE2 GLU A 130 -1.680 -14.053 -1.612 1.00 0.00 O ATOM 0 H GLU A 130 1.961 -13.988 -5.947 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.394 -12.367 -6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.632 -14.580 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.552 -14.238 -4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.032 -12.412 -3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -2.228 -13.060 -4.445 1.00 0.00 H new ATOM 1062 N LEU A 131 -0.007 -10.381 -4.965 1.00 0.00 N ATOM 1063 CA LEU A 131 0.238 -9.164 -4.200 1.00 0.00 C ATOM 1064 C LEU A 131 -0.785 -9.011 -3.079 1.00 0.00 C ATOM 1065 O LEU A 131 -1.989 -9.132 -3.302 1.00 0.00 O ATOM 1066 CB LEU A 131 0.191 -7.942 -5.119 1.00 0.00 C ATOM 1067 CG LEU A 131 1.335 -7.814 -6.125 1.00 0.00 C ATOM 1068 CD1 LEU A 131 0.909 -6.966 -7.313 1.00 0.00 C ATOM 1069 CD2 LEU A 131 2.567 -7.220 -5.458 1.00 0.00 C ATOM 0 H LEU A 131 -0.764 -10.307 -5.644 1.00 0.00 H new ATOM 0 HA LEU A 131 1.230 -9.238 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.750 -7.962 -5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 131 0.178 -7.046 -4.498 1.00 0.00 H new ATOM 0 HG LEU A 131 1.587 -8.810 -6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.736 -6.886 -8.018 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.056 -7.432 -7.806 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.629 -5.971 -6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.371 -7.136 -6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.328 -6.231 -5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 131 2.886 -7.867 -4.640 1.00 0.00 H new ATOM 1081 N SER A 132 -0.297 -8.741 -1.872 1.00 0.00 N ATOM 1082 CA SER A 132 -1.168 -8.573 -0.715 1.00 0.00 C ATOM 1083 C SER A 132 -1.302 -7.098 -0.346 1.00 0.00 C ATOM 1084 O SER A 132 -0.314 -6.431 -0.038 1.00 0.00 O ATOM 1085 CB SER A 132 -0.625 -9.362 0.478 1.00 0.00 C ATOM 1086 OG SER A 132 -1.026 -10.719 0.417 1.00 0.00 O ATOM 0 H SER A 132 0.697 -8.634 -1.670 1.00 0.00 H new ATOM 0 HA SER A 132 -2.155 -8.956 -0.975 1.00 0.00 H new ATOM 0 HB2 SER A 132 0.463 -9.301 0.493 1.00 0.00 H new ATOM 0 HB3 SER A 132 -0.982 -8.915 1.406 1.00 0.00 H new ATOM 0 HG SER A 132 -0.665 -11.202 1.189 1.00 0.00 H new ATOM 1092 N VAL A 133 -2.532 -6.596 -0.379 1.00 0.00 N ATOM 1093 CA VAL A 133 -2.797 -5.201 -0.047 1.00 0.00 C ATOM 1094 C VAL A 133 -3.818 -5.089 1.080 1.00 0.00 C ATOM 1095 O VAL A 133 -4.836 -5.780 1.079 1.00 0.00 O ATOM 1096 CB VAL A 133 -3.313 -4.421 -1.271 1.00 0.00 C ATOM 1097 CG1 VAL A 133 -3.463 -2.944 -0.939 1.00 0.00 C ATOM 1098 CG2 VAL A 133 -2.381 -4.617 -2.458 1.00 0.00 C ATOM 0 H VAL A 133 -3.361 -7.134 -0.632 1.00 0.00 H new ATOM 0 HA VAL A 133 -1.851 -4.768 0.278 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.295 -4.809 -1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.828 -2.409 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.172 -2.825 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -2.496 -2.538 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -2.760 -4.059 -3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.385 -4.256 -2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.329 -5.676 -2.709 1.00 0.00 H new ATOM 1108 N GLN A 134 -3.538 -4.213 2.040 1.00 0.00 N ATOM 1109 CA GLN A 134 -4.432 -4.010 3.173 1.00 0.00 C ATOM 1110 C GLN A 134 -4.236 -2.625 3.781 1.00 0.00 C ATOM 1111 O GLN A 134 -3.192 -1.997 3.596 1.00 0.00 O ATOM 1112 CB GLN A 134 -4.194 -5.085 4.236 1.00 0.00 C ATOM 1113 CG GLN A 134 -2.875 -4.928 4.975 1.00 0.00 C ATOM 1114 CD GLN A 134 -2.605 -6.070 5.936 1.00 0.00 C ATOM 1115 OE1 GLN A 134 -1.780 -6.942 5.664 1.00 0.00 O ATOM 1116 NE2 GLN A 134 -3.301 -6.069 7.067 1.00 0.00 N ATOM 0 H GLN A 134 -2.699 -3.633 2.055 1.00 0.00 H new ATOM 0 HA GLN A 134 -5.458 -4.086 2.812 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -5.011 -5.058 4.957 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -4.220 -6.066 3.761 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -2.062 -4.867 4.251 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -2.881 -3.988 5.526 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -3.975 -5.325 7.251 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -3.162 -6.812 7.752 1.00 0.00 H new ATOM 1125 N LEU A 135 -5.245 -2.155 4.506 1.00 0.00 N ATOM 1126 CA LEU A 135 -5.183 -0.843 5.141 1.00 0.00 C ATOM 1127 C LEU A 135 -4.036 -0.776 6.144 1.00 0.00 C ATOM 1128 O LEU A 135 -3.752 -1.750 6.841 1.00 0.00 O ATOM 1129 CB LEU A 135 -6.507 -0.531 5.842 1.00 0.00 C ATOM 1130 CG LEU A 135 -7.685 -0.187 4.929 1.00 0.00 C ATOM 1131 CD1 LEU A 135 -9.000 -0.329 5.679 1.00 0.00 C ATOM 1132 CD2 LEU A 135 -7.535 1.222 4.373 1.00 0.00 C ATOM 0 H LEU A 135 -6.115 -2.662 4.669 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.005 -0.099 4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -6.784 -1.391 6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.346 0.304 6.524 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.689 -0.887 4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -9.827 -0.080 5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -9.111 -1.356 6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -9.006 0.347 6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.382 1.450 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -7.505 1.936 5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.611 1.290 3.799 1.00 0.00 H new ATOM 1144 N GLN A 136 -3.382 0.379 6.211 1.00 0.00 N ATOM 1145 CA GLN A 136 -2.266 0.572 7.130 1.00 0.00 C ATOM 1146 C GLN A 136 -2.601 0.026 8.514 1.00 0.00 C ATOM 1147 O GLN A 136 -3.714 0.181 9.017 1.00 0.00 O ATOM 1148 CB GLN A 136 -1.909 2.056 7.226 1.00 0.00 C ATOM 1149 CG GLN A 136 -0.600 2.320 7.953 1.00 0.00 C ATOM 1150 CD GLN A 136 -0.370 3.794 8.224 1.00 0.00 C ATOM 1151 OE1 GLN A 136 -0.445 4.608 7.177 1.00 0.00 O flip ATOM 1152 NE2 GLN A 136 -0.128 4.198 9.362 1.00 0.00 N flip ATOM 0 H GLN A 136 -3.605 1.195 5.641 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.408 0.024 6.741 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.847 2.472 6.221 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.713 2.582 7.740 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -0.597 1.776 8.898 1.00 0.00 H new ATOM 0 HG3 GLN A 136 0.226 1.930 7.358 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -0.080 3.538 10.138 1.00 0.00 H new ATOM 0 HE22 GLN A 136 0.024 5.193 9.528 1.00 0.00 H new