USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=13 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 HE2:sc= 0.753 K(o=1.9,f=-5.1) USER MOD Set 1.2: A 95 CYS SG : rot 172:sc= 1.15 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 81 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 88 SER OG : rot -51:sc= 0.0125 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 -69:sc= 1.26 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 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 110 ASN : amide:sc= -0.768 K(o=-0.77,f=-12!) USER MOD Single : A 113 GLN :FLIP amide:sc= -3.84! C(o=-4.6!,f=-3.8!) USER MOD Single : A 119 ASN : amide:sc=-0.00782 K(o=-0.0078,f=-0.63) USER MOD Single : A 120 THR OG1 : rot 77:sc= 0.099 USER MOD Single : A 122 HIS : no HD1:sc= -0.354 K(o=-0.35,f=-2.3!) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 124 SER OG : rot -106:sc= 0.786 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= -0.0972 X(o=-0.097,f=-0.097) USER MOD Single : A 136 GLN : amide:sc= -0.241 K(o=-0.24,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 68 -3.847 5.481 4.477 1.00 0.00 N ATOM 60 CA GLY A 68 -2.613 4.773 4.190 1.00 0.00 C ATOM 61 C GLY A 68 -2.855 3.347 3.735 1.00 0.00 C ATOM 62 O GLY A 68 -3.923 2.784 3.980 1.00 0.00 O ATOM 0 HA2 GLY A 68 -2.061 5.309 3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.986 4.765 5.082 1.00 0.00 H new ATOM 66 N ILE A 69 -1.864 2.763 3.071 1.00 0.00 N ATOM 67 CA ILE A 69 -1.976 1.395 2.581 1.00 0.00 C ATOM 68 C ILE A 69 -0.679 0.624 2.803 1.00 0.00 C ATOM 69 O ILE A 69 0.398 1.214 2.899 1.00 0.00 O ATOM 70 CB ILE A 69 -2.330 1.361 1.082 1.00 0.00 C ATOM 71 CG1 ILE A 69 -1.256 2.083 0.266 1.00 0.00 C ATOM 72 CG2 ILE A 69 -3.695 1.989 0.846 1.00 0.00 C ATOM 73 CD1 ILE A 69 -0.109 1.189 -0.150 1.00 0.00 C ATOM 0 H ILE A 69 -0.975 3.216 2.860 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.779 0.922 3.146 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.369 0.322 0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.715 2.510 -0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.864 2.914 0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.931 1.958 -0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.451 1.435 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.682 3.025 1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.614 1.768 -0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.376 0.782 0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.489 0.372 -0.763 1.00 0.00 H new ATOM 85 N LEU A 70 -0.789 -0.697 2.882 1.00 0.00 N ATOM 86 CA LEU A 70 0.375 -1.551 3.091 1.00 0.00 C ATOM 87 C LEU A 70 0.452 -2.639 2.025 1.00 0.00 C ATOM 88 O LEU A 70 -0.473 -3.437 1.872 1.00 0.00 O ATOM 89 CB LEU A 70 0.323 -2.187 4.481 1.00 0.00 C ATOM 90 CG LEU A 70 1.187 -3.433 4.683 1.00 0.00 C ATOM 91 CD1 LEU A 70 2.639 -3.136 4.343 1.00 0.00 C ATOM 92 CD2 LEU A 70 1.064 -3.942 6.111 1.00 0.00 C ATOM 0 H LEU A 70 -1.673 -1.201 2.804 1.00 0.00 H new ATOM 0 HA LEU A 70 1.268 -0.930 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.625 -1.438 5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.712 -2.448 4.701 1.00 0.00 H new ATOM 0 HG LEU A 70 0.830 -4.212 4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.239 -4.034 4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.712 -2.820 3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.009 -2.341 4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.685 -4.829 6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.394 -3.167 6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.024 -4.195 6.319 1.00 0.00 H new ATOM 104 N ILE A 71 1.560 -2.665 1.292 1.00 0.00 N ATOM 105 CA ILE A 71 1.757 -3.657 0.243 1.00 0.00 C ATOM 106 C ILE A 71 2.822 -4.674 0.640 1.00 0.00 C ATOM 107 O ILE A 71 3.799 -4.335 1.309 1.00 0.00 O ATOM 108 CB ILE A 71 2.166 -2.996 -1.087 1.00 0.00 C ATOM 109 CG1 ILE A 71 1.014 -2.152 -1.637 1.00 0.00 C ATOM 110 CG2 ILE A 71 2.584 -4.054 -2.098 1.00 0.00 C ATOM 111 CD1 ILE A 71 1.433 -1.202 -2.737 1.00 0.00 C ATOM 0 H ILE A 71 2.334 -2.011 1.405 1.00 0.00 H new ATOM 0 HA ILE A 71 0.803 -4.167 0.108 1.00 0.00 H new ATOM 0 HB ILE A 71 3.017 -2.340 -0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.237 -2.816 -2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.572 -1.579 -0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.870 -3.571 -3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.431 -4.617 -1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.751 -4.732 -2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.566 -0.636 -3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.188 -0.514 -2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.847 -1.770 -3.570 1.00 0.00 H new ATOM 123 N ARG A 72 2.628 -5.921 0.224 1.00 0.00 N ATOM 124 CA ARG A 72 3.572 -6.987 0.536 1.00 0.00 C ATOM 125 C ARG A 72 3.946 -7.767 -0.721 1.00 0.00 C ATOM 126 O ARG A 72 3.082 -8.139 -1.514 1.00 0.00 O ATOM 127 CB ARG A 72 2.977 -7.934 1.579 1.00 0.00 C ATOM 128 CG ARG A 72 2.711 -7.273 2.922 1.00 0.00 C ATOM 129 CD ARG A 72 2.644 -8.297 4.044 1.00 0.00 C ATOM 130 NE ARG A 72 3.921 -8.978 4.241 1.00 0.00 N ATOM 131 CZ ARG A 72 4.952 -8.435 4.879 1.00 0.00 C ATOM 132 NH1 ARG A 72 4.856 -7.211 5.379 1.00 0.00 N ATOM 133 NH2 ARG A 72 6.081 -9.118 5.018 1.00 0.00 N ATOM 0 H ARG A 72 1.825 -6.218 -0.330 1.00 0.00 H new ATOM 0 HA ARG A 72 4.475 -6.532 0.942 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.043 -8.344 1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.657 -8.773 1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.498 -6.550 3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.773 -6.719 2.877 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.351 -7.802 4.970 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.872 -9.033 3.818 1.00 0.00 H new ATOM 0 HE ARG A 72 4.027 -9.922 3.869 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.989 -6.684 5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.649 -6.796 5.868 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.158 -10.060 4.635 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.872 -8.701 5.508 1.00 0.00 H new ATOM 147 N GLY A 73 5.242 -8.011 -0.896 1.00 0.00 N ATOM 148 CA GLY A 73 5.708 -8.744 -2.058 1.00 0.00 C ATOM 149 C GLY A 73 5.972 -7.841 -3.247 1.00 0.00 C ATOM 150 O GLY A 73 5.185 -7.802 -4.194 1.00 0.00 O ATOM 0 H GLY A 73 5.977 -7.714 -0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.622 -9.280 -1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.965 -9.493 -2.333 1.00 0.00 H new ATOM 154 N LEU A 74 7.080 -7.111 -3.198 1.00 0.00 N ATOM 155 CA LEU A 74 7.446 -6.201 -4.278 1.00 0.00 C ATOM 156 C LEU A 74 8.566 -6.790 -5.130 1.00 0.00 C ATOM 157 O LEU A 74 9.360 -7.612 -4.673 1.00 0.00 O ATOM 158 CB LEU A 74 7.879 -4.849 -3.709 1.00 0.00 C ATOM 159 CG LEU A 74 6.777 -4.008 -3.063 1.00 0.00 C ATOM 160 CD1 LEU A 74 7.380 -2.908 -2.203 1.00 0.00 C ATOM 161 CD2 LEU A 74 5.866 -3.416 -4.128 1.00 0.00 C ATOM 0 H LEU A 74 7.741 -7.131 -2.422 1.00 0.00 H new ATOM 0 HA LEU A 74 6.570 -6.057 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.658 -5.023 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.329 -4.266 -4.513 1.00 0.00 H new ATOM 0 HG LEU A 74 6.180 -4.656 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.581 -2.320 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.991 -3.354 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.001 -2.261 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.088 -2.821 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.450 -2.782 -4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.407 -4.221 -4.702 1.00 0.00 H new ATOM 173 N PRO A 75 8.634 -6.358 -6.398 1.00 0.00 N ATOM 174 CA PRO A 75 9.655 -6.827 -7.340 1.00 0.00 C ATOM 175 C PRO A 75 11.047 -6.316 -6.988 1.00 0.00 C ATOM 176 O PRO A 75 11.194 -5.363 -6.224 1.00 0.00 O ATOM 177 CB PRO A 75 9.194 -6.247 -8.680 1.00 0.00 C ATOM 178 CG PRO A 75 8.388 -5.048 -8.316 1.00 0.00 C ATOM 179 CD PRO A 75 7.720 -5.379 -7.010 1.00 0.00 C ATOM 0 HA PRO A 75 9.743 -7.913 -7.338 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.043 -5.978 -9.308 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.599 -6.969 -9.240 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.022 -4.167 -8.218 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.650 -4.825 -9.086 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.601 -4.495 -6.384 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.725 -5.798 -7.162 1.00 0.00 H new ATOM 187 N GLY A 76 12.068 -6.955 -7.552 1.00 0.00 N ATOM 188 CA GLY A 76 13.435 -6.550 -7.285 1.00 0.00 C ATOM 189 C GLY A 76 13.788 -5.231 -7.944 1.00 0.00 C ATOM 190 O GLY A 76 14.863 -4.678 -7.707 1.00 0.00 O ATOM 0 H GLY A 76 11.972 -7.746 -8.189 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.582 -6.465 -6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 76 14.116 -7.324 -7.640 1.00 0.00 H new ATOM 194 N ASP A 77 12.883 -4.726 -8.774 1.00 0.00 N ATOM 195 CA ASP A 77 13.104 -3.463 -9.471 1.00 0.00 C ATOM 196 C ASP A 77 12.056 -2.430 -9.069 1.00 0.00 C ATOM 197 O ASP A 77 11.840 -1.443 -9.772 1.00 0.00 O ATOM 198 CB ASP A 77 13.072 -3.679 -10.985 1.00 0.00 C ATOM 199 CG ASP A 77 14.306 -4.397 -11.494 1.00 0.00 C ATOM 200 OD1 ASP A 77 14.781 -5.322 -10.802 1.00 0.00 O ATOM 201 OD2 ASP A 77 14.797 -4.034 -12.583 1.00 0.00 O ATOM 0 H ASP A 77 11.989 -5.171 -8.981 1.00 0.00 H new ATOM 0 HA ASP A 77 14.087 -3.086 -9.187 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.185 -4.256 -11.248 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.985 -2.714 -11.485 1.00 0.00 H new ATOM 206 N VAL A 78 11.405 -2.665 -7.934 1.00 0.00 N ATOM 207 CA VAL A 78 10.379 -1.756 -7.438 1.00 0.00 C ATOM 208 C VAL A 78 10.969 -0.389 -7.110 1.00 0.00 C ATOM 209 O VAL A 78 11.777 -0.252 -6.190 1.00 0.00 O ATOM 210 CB VAL A 78 9.689 -2.319 -6.182 1.00 0.00 C ATOM 211 CG1 VAL A 78 10.715 -2.638 -5.106 1.00 0.00 C ATOM 212 CG2 VAL A 78 8.646 -1.341 -5.664 1.00 0.00 C ATOM 0 H VAL A 78 11.570 -3.478 -7.341 1.00 0.00 H new ATOM 0 HA VAL A 78 9.640 -1.650 -8.232 1.00 0.00 H new ATOM 0 HB VAL A 78 9.182 -3.246 -6.452 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.208 -3.035 -4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.420 -3.379 -5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.253 -1.730 -4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.168 -1.755 -4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.127 -0.397 -5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.894 -1.169 -6.434 1.00 0.00 H new ATOM 222 N THR A 79 10.560 0.624 -7.868 1.00 0.00 N ATOM 223 CA THR A 79 11.048 1.981 -7.659 1.00 0.00 C ATOM 224 C THR A 79 9.902 2.934 -7.337 1.00 0.00 C ATOM 225 O THR A 79 8.736 2.616 -7.565 1.00 0.00 O ATOM 226 CB THR A 79 11.802 2.504 -8.897 1.00 0.00 C ATOM 227 OG1 THR A 79 12.426 3.757 -8.597 1.00 0.00 O ATOM 228 CG2 THR A 79 10.856 2.672 -10.076 1.00 0.00 C ATOM 0 H THR A 79 9.891 0.530 -8.633 1.00 0.00 H new ATOM 0 HA THR A 79 11.735 1.943 -6.813 1.00 0.00 H new ATOM 0 HB THR A 79 12.565 1.774 -9.166 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.904 4.082 -9.388 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.411 3.042 -10.938 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.405 1.710 -10.321 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.073 3.384 -9.816 1.00 0.00 H new ATOM 236 N ASN A 80 10.243 4.103 -6.806 1.00 0.00 N ATOM 237 CA ASN A 80 9.241 5.103 -6.452 1.00 0.00 C ATOM 238 C ASN A 80 8.346 5.422 -7.645 1.00 0.00 C ATOM 239 O ASN A 80 7.170 5.745 -7.482 1.00 0.00 O ATOM 240 CB ASN A 80 9.920 6.380 -5.953 1.00 0.00 C ATOM 241 CG ASN A 80 10.362 6.273 -4.506 1.00 0.00 C ATOM 242 OD1 ASN A 80 11.318 5.565 -4.189 1.00 0.00 O ATOM 243 ND2 ASN A 80 9.666 6.976 -3.621 1.00 0.00 N ATOM 0 H ASN A 80 11.205 4.382 -6.611 1.00 0.00 H new ATOM 0 HA ASN A 80 8.621 4.694 -5.655 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.785 6.596 -6.579 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.232 7.219 -6.059 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.916 6.943 -2.633 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.881 7.549 -3.929 1.00 0.00 H new ATOM 250 N GLN A 81 8.912 5.329 -8.844 1.00 0.00 N ATOM 251 CA GLN A 81 8.165 5.608 -10.065 1.00 0.00 C ATOM 252 C GLN A 81 7.063 4.575 -10.277 1.00 0.00 C ATOM 253 O GLN A 81 5.994 4.893 -10.797 1.00 0.00 O ATOM 254 CB GLN A 81 9.105 5.623 -11.271 1.00 0.00 C ATOM 255 CG GLN A 81 8.513 6.301 -12.496 1.00 0.00 C ATOM 256 CD GLN A 81 8.663 7.809 -12.458 1.00 0.00 C ATOM 257 OE1 GLN A 81 9.604 8.365 -13.024 1.00 0.00 O ATOM 258 NE2 GLN A 81 7.732 8.480 -11.790 1.00 0.00 N ATOM 0 H GLN A 81 9.885 5.063 -8.996 1.00 0.00 H new ATOM 0 HA GLN A 81 7.703 6.590 -9.962 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.028 6.132 -10.995 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.371 4.597 -11.527 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.999 5.914 -13.391 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.456 6.047 -12.572 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.969 7.978 -11.336 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.780 9.497 -11.731 1.00 0.00 H new ATOM 267 N GLU A 82 7.332 3.338 -9.871 1.00 0.00 N ATOM 268 CA GLU A 82 6.363 2.259 -10.018 1.00 0.00 C ATOM 269 C GLU A 82 5.116 2.530 -9.181 1.00 0.00 C ATOM 270 O GLU A 82 3.990 2.358 -9.649 1.00 0.00 O ATOM 271 CB GLU A 82 6.986 0.924 -9.607 1.00 0.00 C ATOM 272 CG GLU A 82 6.384 -0.275 -10.320 1.00 0.00 C ATOM 273 CD GLU A 82 6.335 -0.094 -11.825 1.00 0.00 C ATOM 274 OE1 GLU A 82 7.142 0.698 -12.355 1.00 0.00 O ATOM 275 OE2 GLU A 82 5.489 -0.745 -12.473 1.00 0.00 O ATOM 0 H GLU A 82 8.212 3.059 -9.438 1.00 0.00 H new ATOM 0 HA GLU A 82 6.072 2.208 -11.067 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.057 0.955 -9.808 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.867 0.793 -8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.968 -1.165 -10.084 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.375 -0.447 -9.945 1.00 0.00 H new ATOM 282 N VAL A 83 5.325 2.953 -7.938 1.00 0.00 N ATOM 283 CA VAL A 83 4.219 3.249 -7.035 1.00 0.00 C ATOM 284 C VAL A 83 3.464 4.496 -7.480 1.00 0.00 C ATOM 285 O VAL A 83 2.236 4.552 -7.402 1.00 0.00 O ATOM 286 CB VAL A 83 4.713 3.449 -5.590 1.00 0.00 C ATOM 287 CG1 VAL A 83 5.173 2.128 -4.994 1.00 0.00 C ATOM 288 CG2 VAL A 83 5.831 4.480 -5.548 1.00 0.00 C ATOM 0 H VAL A 83 6.250 3.098 -7.534 1.00 0.00 H new ATOM 0 HA VAL A 83 3.547 2.391 -7.066 1.00 0.00 H new ATOM 0 HB VAL A 83 3.883 3.821 -4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.518 2.290 -3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.342 1.422 -4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.989 1.723 -5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.168 4.609 -4.520 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.664 4.139 -6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.463 5.432 -5.931 1.00 0.00 H new ATOM 298 N HIS A 84 4.206 5.495 -7.948 1.00 0.00 N ATOM 299 CA HIS A 84 3.606 6.742 -8.407 1.00 0.00 C ATOM 300 C HIS A 84 2.698 6.498 -9.609 1.00 0.00 C ATOM 301 O HIS A 84 1.563 6.974 -9.649 1.00 0.00 O ATOM 302 CB HIS A 84 4.694 7.752 -8.772 1.00 0.00 C ATOM 303 CG HIS A 84 5.112 8.622 -7.626 1.00 0.00 C ATOM 304 ND1 HIS A 84 4.330 9.644 -7.132 1.00 0.00 N ATOM 305 CD2 HIS A 84 6.239 8.616 -6.876 1.00 0.00 C ATOM 306 CE1 HIS A 84 4.957 10.230 -6.128 1.00 0.00 C ATOM 307 NE2 HIS A 84 6.118 9.625 -5.952 1.00 0.00 N ATOM 0 H HIS A 84 5.223 5.465 -8.019 1.00 0.00 H new ATOM 0 HA HIS A 84 3.003 7.147 -7.594 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.566 7.215 -9.147 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.335 8.383 -9.585 1.00 0.00 H new ATOM 0 HD1 HIS A 84 3.410 9.907 -7.487 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.077 7.943 -6.984 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.584 11.062 -5.549 1.00 0.00 H new ATOM 316 N ASP A 85 3.206 5.756 -10.587 1.00 0.00 N ATOM 317 CA ASP A 85 2.442 5.449 -11.790 1.00 0.00 C ATOM 318 C ASP A 85 1.196 4.637 -11.450 1.00 0.00 C ATOM 319 O ASP A 85 0.134 4.831 -12.044 1.00 0.00 O ATOM 320 CB ASP A 85 3.309 4.681 -12.789 1.00 0.00 C ATOM 321 CG ASP A 85 2.790 4.790 -14.210 1.00 0.00 C ATOM 322 OD1 ASP A 85 2.548 5.927 -14.667 1.00 0.00 O ATOM 323 OD2 ASP A 85 2.628 3.739 -14.864 1.00 0.00 O ATOM 0 H ASP A 85 4.144 5.356 -10.570 1.00 0.00 H new ATOM 0 HA ASP A 85 2.129 6.390 -12.241 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.330 5.062 -12.748 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.349 3.631 -12.499 1.00 0.00 H new ATOM 328 N LEU A 86 1.332 3.727 -10.492 1.00 0.00 N ATOM 329 CA LEU A 86 0.218 2.885 -10.073 1.00 0.00 C ATOM 330 C LEU A 86 -0.903 3.725 -9.470 1.00 0.00 C ATOM 331 O LEU A 86 -2.084 3.467 -9.709 1.00 0.00 O ATOM 332 CB LEU A 86 0.694 1.844 -9.057 1.00 0.00 C ATOM 333 CG LEU A 86 -0.389 0.944 -8.461 1.00 0.00 C ATOM 334 CD1 LEU A 86 -1.076 0.139 -9.553 1.00 0.00 C ATOM 335 CD2 LEU A 86 0.205 0.020 -7.408 1.00 0.00 C ATOM 0 H LEU A 86 2.203 3.554 -9.991 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.170 2.374 -10.954 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.440 1.211 -9.538 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.195 2.365 -8.241 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.136 1.577 -7.981 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.843 -0.495 -9.109 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.537 0.818 -10.270 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.341 -0.484 -10.063 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.580 -0.613 -6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.973 -0.605 -7.864 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.649 0.615 -6.610 1.00 0.00 H new ATOM 347 N LEU A 87 -0.527 4.731 -8.689 1.00 0.00 N ATOM 348 CA LEU A 87 -1.501 5.612 -8.053 1.00 0.00 C ATOM 349 C LEU A 87 -1.420 7.021 -8.632 1.00 0.00 C ATOM 350 O LEU A 87 -1.601 8.007 -7.918 1.00 0.00 O ATOM 351 CB LEU A 87 -1.269 5.655 -6.542 1.00 0.00 C ATOM 352 CG LEU A 87 -1.915 4.530 -5.732 1.00 0.00 C ATOM 353 CD1 LEU A 87 -1.237 4.390 -4.378 1.00 0.00 C ATOM 354 CD2 LEU A 87 -3.405 4.783 -5.561 1.00 0.00 C ATOM 0 H LEU A 87 0.445 4.957 -8.481 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.497 5.215 -8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.195 5.637 -6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.641 6.607 -6.164 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.786 3.595 -6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.710 3.585 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.181 4.161 -4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.333 5.324 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.848 3.972 -4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.556 5.727 -5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.881 4.831 -6.541 1.00 0.00 H new ATOM 366 N SER A 88 -1.149 7.108 -9.930 1.00 0.00 N ATOM 367 CA SER A 88 -1.043 8.396 -10.605 1.00 0.00 C ATOM 368 C SER A 88 -2.422 8.924 -10.988 1.00 0.00 C ATOM 369 O SER A 88 -2.545 9.822 -11.820 1.00 0.00 O ATOM 370 CB SER A 88 -0.167 8.271 -11.853 1.00 0.00 C ATOM 371 OG SER A 88 0.424 9.515 -12.187 1.00 0.00 O ATOM 0 H SER A 88 -0.999 6.301 -10.536 1.00 0.00 H new ATOM 0 HA SER A 88 -0.582 9.103 -9.915 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.613 7.529 -11.681 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.768 7.914 -12.689 1.00 0.00 H new ATOM 0 HG SER A 88 -0.269 10.206 -12.227 1.00 0.00 H new ATOM 377 N ASP A 89 -3.456 8.359 -10.375 1.00 0.00 N ATOM 378 CA ASP A 89 -4.827 8.772 -10.650 1.00 0.00 C ATOM 379 C ASP A 89 -5.421 9.512 -9.456 1.00 0.00 C ATOM 380 O ASP A 89 -6.346 10.312 -9.605 1.00 0.00 O ATOM 381 CB ASP A 89 -5.690 7.557 -10.993 1.00 0.00 C ATOM 382 CG ASP A 89 -5.509 7.106 -12.429 1.00 0.00 C ATOM 383 OD1 ASP A 89 -4.356 6.840 -12.827 1.00 0.00 O ATOM 384 OD2 ASP A 89 -6.521 7.018 -13.155 1.00 0.00 O ATOM 0 H ASP A 89 -3.371 7.613 -9.684 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.812 9.449 -11.504 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -5.438 6.735 -10.323 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.739 7.799 -10.821 1.00 0.00 H new ATOM 389 N TYR A 90 -4.886 9.240 -8.271 1.00 0.00 N ATOM 390 CA TYR A 90 -5.366 9.877 -7.050 1.00 0.00 C ATOM 391 C TYR A 90 -4.344 10.879 -6.521 1.00 0.00 C ATOM 392 O TYR A 90 -3.247 11.007 -7.063 1.00 0.00 O ATOM 393 CB TYR A 90 -5.663 8.823 -5.983 1.00 0.00 C ATOM 394 CG TYR A 90 -6.439 7.635 -6.504 1.00 0.00 C ATOM 395 CD1 TYR A 90 -5.798 6.604 -7.181 1.00 0.00 C ATOM 396 CD2 TYR A 90 -7.813 7.542 -6.320 1.00 0.00 C ATOM 397 CE1 TYR A 90 -6.503 5.517 -7.659 1.00 0.00 C ATOM 398 CE2 TYR A 90 -8.526 6.458 -6.794 1.00 0.00 C ATOM 399 CZ TYR A 90 -7.867 5.449 -7.464 1.00 0.00 C ATOM 400 OH TYR A 90 -8.573 4.367 -7.938 1.00 0.00 O ATOM 0 H TYR A 90 -4.119 8.582 -8.130 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.285 10.413 -7.287 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.722 8.473 -5.558 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.226 9.287 -5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.730 6.654 -7.336 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.333 8.331 -5.797 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.989 4.724 -8.183 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.594 6.401 -6.641 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.522 4.473 -7.717 1.00 0.00 H new ATOM 410 N GLU A 91 -4.715 11.587 -5.459 1.00 0.00 N ATOM 411 CA GLU A 91 -3.831 12.578 -4.856 1.00 0.00 C ATOM 412 C GLU A 91 -2.836 11.915 -3.908 1.00 0.00 C ATOM 413 O GLU A 91 -3.205 11.447 -2.829 1.00 0.00 O ATOM 414 CB GLU A 91 -4.647 13.630 -4.102 1.00 0.00 C ATOM 415 CG GLU A 91 -5.072 14.805 -4.966 1.00 0.00 C ATOM 416 CD GLU A 91 -6.025 14.400 -6.074 1.00 0.00 C ATOM 417 OE1 GLU A 91 -6.838 13.480 -5.851 1.00 0.00 O ATOM 418 OE2 GLU A 91 -5.957 15.005 -7.164 1.00 0.00 O ATOM 0 H GLU A 91 -5.620 11.493 -4.999 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.274 13.065 -5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.536 13.157 -3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.059 14.001 -3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.549 15.558 -4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.188 15.268 -5.404 1.00 0.00 H new ATOM 425 N LEU A 92 -1.573 11.877 -4.318 1.00 0.00 N ATOM 426 CA LEU A 92 -0.523 11.270 -3.506 1.00 0.00 C ATOM 427 C LEU A 92 0.095 12.295 -2.560 1.00 0.00 C ATOM 428 O LEU A 92 1.050 12.987 -2.915 1.00 0.00 O ATOM 429 CB LEU A 92 0.560 10.670 -4.404 1.00 0.00 C ATOM 430 CG LEU A 92 0.241 9.308 -5.021 1.00 0.00 C ATOM 431 CD1 LEU A 92 1.291 8.931 -6.055 1.00 0.00 C ATOM 432 CD2 LEU A 92 0.148 8.241 -3.940 1.00 0.00 C ATOM 0 H LEU A 92 -1.251 12.259 -5.207 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.972 10.477 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.765 11.373 -5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.477 10.577 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.725 9.375 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.047 7.959 -6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.309 9.681 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.270 8.882 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.080 7.278 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.099 8.175 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.642 8.504 -3.236 1.00 0.00 H new ATOM 444 N LYS A 93 -0.455 12.387 -1.354 1.00 0.00 N ATOM 445 CA LYS A 93 0.043 13.324 -0.355 1.00 0.00 C ATOM 446 C LYS A 93 1.416 12.898 0.154 1.00 0.00 C ATOM 447 O LYS A 93 2.283 13.736 0.406 1.00 0.00 O ATOM 448 CB LYS A 93 -0.939 13.423 0.815 1.00 0.00 C ATOM 449 CG LYS A 93 -2.061 14.421 0.586 1.00 0.00 C ATOM 450 CD LYS A 93 -1.560 15.853 0.671 1.00 0.00 C ATOM 451 CE LYS A 93 -2.562 16.830 0.076 1.00 0.00 C ATOM 452 NZ LYS A 93 -3.531 17.320 1.096 1.00 0.00 N ATOM 0 H LYS A 93 -1.247 11.823 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 93 0.138 14.303 -0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.371 12.440 1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.392 13.705 1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.508 14.249 -0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.845 14.264 1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.372 16.113 1.713 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.610 15.939 0.144 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.030 17.677 -0.356 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.104 16.345 -0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.197 17.983 0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.057 16.514 1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.017 17.805 1.859 1.00 0.00 H new ATOM 466 N TYR A 94 1.608 11.592 0.302 1.00 0.00 N ATOM 467 CA TYR A 94 2.876 11.055 0.782 1.00 0.00 C ATOM 468 C TYR A 94 3.214 9.745 0.078 1.00 0.00 C ATOM 469 O TYR A 94 2.375 8.849 -0.027 1.00 0.00 O ATOM 470 CB TYR A 94 2.821 10.835 2.295 1.00 0.00 C ATOM 471 CG TYR A 94 4.053 10.161 2.854 1.00 0.00 C ATOM 472 CD1 TYR A 94 5.322 10.667 2.597 1.00 0.00 C ATOM 473 CD2 TYR A 94 3.949 9.019 3.638 1.00 0.00 C ATOM 474 CE1 TYR A 94 6.451 10.054 3.105 1.00 0.00 C ATOM 475 CE2 TYR A 94 5.073 8.401 4.151 1.00 0.00 C ATOM 476 CZ TYR A 94 6.321 8.922 3.882 1.00 0.00 C ATOM 477 OH TYR A 94 7.443 8.308 4.390 1.00 0.00 O ATOM 0 H TYR A 94 0.902 10.885 0.096 1.00 0.00 H new ATOM 0 HA TYR A 94 3.658 11.780 0.555 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.688 11.797 2.789 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.946 10.230 2.534 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.427 11.554 1.990 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.973 8.607 3.850 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.430 10.459 2.895 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.975 7.514 4.760 1.00 0.00 H new ATOM 0 HH TYR A 94 7.953 7.901 3.659 1.00 0.00 H new ATOM 487 N CYS A 95 4.448 9.640 -0.402 1.00 0.00 N ATOM 488 CA CYS A 95 4.899 8.439 -1.096 1.00 0.00 C ATOM 489 C CYS A 95 6.173 7.891 -0.463 1.00 0.00 C ATOM 490 O CYS A 95 7.157 8.613 -0.298 1.00 0.00 O ATOM 491 CB CYS A 95 5.139 8.741 -2.576 1.00 0.00 C ATOM 492 SG CYS A 95 6.259 10.129 -2.874 1.00 0.00 S ATOM 0 H CYS A 95 5.154 10.372 -0.323 1.00 0.00 H new ATOM 0 HA CYS A 95 4.118 7.683 -1.008 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.545 7.851 -3.056 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.182 8.952 -3.053 1.00 0.00 H new ATOM 0 HG CYS A 95 6.533 10.201 -4.143 1.00 0.00 H new ATOM 498 N PHE A 96 6.148 6.611 -0.108 1.00 0.00 N ATOM 499 CA PHE A 96 7.301 5.966 0.510 1.00 0.00 C ATOM 500 C PHE A 96 7.458 4.534 0.007 1.00 0.00 C ATOM 501 O PHE A 96 6.493 3.772 -0.042 1.00 0.00 O ATOM 502 CB PHE A 96 7.158 5.970 2.034 1.00 0.00 C ATOM 503 CG PHE A 96 8.449 5.714 2.757 1.00 0.00 C ATOM 504 CD1 PHE A 96 9.461 6.660 2.751 1.00 0.00 C ATOM 505 CD2 PHE A 96 8.650 4.528 3.445 1.00 0.00 C ATOM 506 CE1 PHE A 96 10.650 6.427 3.416 1.00 0.00 C ATOM 507 CE2 PHE A 96 9.837 4.289 4.111 1.00 0.00 C ATOM 508 CZ PHE A 96 10.838 5.241 4.098 1.00 0.00 C ATOM 0 H PHE A 96 5.342 5.999 -0.238 1.00 0.00 H new ATOM 0 HA PHE A 96 8.192 6.529 0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.758 6.933 2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.431 5.212 2.325 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.319 7.590 2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.870 3.782 3.461 1.00 0.00 H new ATOM 0 HE1 PHE A 96 11.432 7.172 3.402 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.982 3.359 4.641 1.00 0.00 H new ATOM 0 HZ PHE A 96 11.766 5.058 4.620 1.00 0.00 H new ATOM 518 N VAL A 97 8.682 4.176 -0.368 1.00 0.00 N ATOM 519 CA VAL A 97 8.967 2.836 -0.868 1.00 0.00 C ATOM 520 C VAL A 97 10.079 2.174 -0.062 1.00 0.00 C ATOM 521 O VAL A 97 11.211 2.658 -0.032 1.00 0.00 O ATOM 522 CB VAL A 97 9.373 2.866 -2.353 1.00 0.00 C ATOM 523 CG1 VAL A 97 9.790 1.480 -2.821 1.00 0.00 C ATOM 524 CG2 VAL A 97 8.234 3.405 -3.206 1.00 0.00 C ATOM 0 H VAL A 97 9.492 4.795 -0.335 1.00 0.00 H new ATOM 0 HA VAL A 97 8.050 2.256 -0.761 1.00 0.00 H new ATOM 0 HB VAL A 97 10.228 3.533 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.073 1.521 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.639 1.136 -2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.957 0.788 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.538 3.419 -4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.359 2.765 -3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.987 4.417 -2.886 1.00 0.00 H new ATOM 534 N ASP A 98 9.749 1.065 0.591 1.00 0.00 N ATOM 535 CA ASP A 98 10.721 0.335 1.397 1.00 0.00 C ATOM 536 C ASP A 98 11.115 -0.973 0.719 1.00 0.00 C ATOM 537 O ASP A 98 10.447 -1.995 0.879 1.00 0.00 O ATOM 538 CB ASP A 98 10.151 0.051 2.788 1.00 0.00 C ATOM 539 CG ASP A 98 10.433 1.172 3.769 1.00 0.00 C ATOM 540 OD1 ASP A 98 11.277 2.037 3.454 1.00 0.00 O ATOM 541 OD2 ASP A 98 9.810 1.185 4.851 1.00 0.00 O ATOM 0 H ASP A 98 8.816 0.652 0.578 1.00 0.00 H new ATOM 0 HA ASP A 98 11.612 0.955 1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.074 -0.099 2.712 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.577 -0.877 3.169 1.00 0.00 H new ATOM 546 N LYS A 99 12.205 -0.935 -0.040 1.00 0.00 N ATOM 547 CA LYS A 99 12.691 -2.116 -0.743 1.00 0.00 C ATOM 548 C LYS A 99 13.151 -3.185 0.243 1.00 0.00 C ATOM 549 O LYS A 99 12.930 -4.377 0.029 1.00 0.00 O ATOM 550 CB LYS A 99 13.842 -1.741 -1.679 1.00 0.00 C ATOM 551 CG LYS A 99 15.039 -1.142 -0.961 1.00 0.00 C ATOM 552 CD LYS A 99 16.186 -0.872 -1.920 1.00 0.00 C ATOM 553 CE LYS A 99 16.092 0.520 -2.525 1.00 0.00 C ATOM 554 NZ LYS A 99 17.391 0.963 -3.102 1.00 0.00 N ATOM 0 H LYS A 99 12.769 -0.098 -0.184 1.00 0.00 H new ATOM 0 HA LYS A 99 11.869 -2.520 -1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.162 -2.630 -2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.479 -1.029 -2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.744 -0.213 -0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.372 -1.822 -0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.134 -0.977 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.179 -1.617 -2.716 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.328 0.527 -3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.774 1.228 -1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.285 1.916 -3.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.115 0.981 -2.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.682 0.302 -3.850 1.00 0.00 H new ATOM 568 N TYR A 100 13.791 -2.751 1.323 1.00 0.00 N ATOM 569 CA TYR A 100 14.283 -3.671 2.341 1.00 0.00 C ATOM 570 C TYR A 100 13.190 -4.648 2.767 1.00 0.00 C ATOM 571 O TYR A 100 13.349 -5.864 2.654 1.00 0.00 O ATOM 572 CB TYR A 100 14.790 -2.895 3.557 1.00 0.00 C ATOM 573 CG TYR A 100 15.578 -1.655 3.199 1.00 0.00 C ATOM 574 CD1 TYR A 100 16.652 -1.721 2.320 1.00 0.00 C ATOM 575 CD2 TYR A 100 15.249 -0.419 3.740 1.00 0.00 C ATOM 576 CE1 TYR A 100 17.375 -0.591 1.990 1.00 0.00 C ATOM 577 CE2 TYR A 100 15.965 0.717 3.414 1.00 0.00 C ATOM 578 CZ TYR A 100 17.027 0.626 2.539 1.00 0.00 C ATOM 579 OH TYR A 100 17.744 1.754 2.214 1.00 0.00 O ATOM 0 H TYR A 100 13.981 -1.768 1.516 1.00 0.00 H new ATOM 0 HA TYR A 100 15.107 -4.240 1.912 1.00 0.00 H new ATOM 0 HB2 TYR A 100 13.939 -2.609 4.175 1.00 0.00 H new ATOM 0 HB3 TYR A 100 15.416 -3.551 4.161 1.00 0.00 H new ATOM 0 HD1 TYR A 100 16.926 -2.672 1.887 1.00 0.00 H new ATOM 0 HD2 TYR A 100 14.419 -0.344 4.427 1.00 0.00 H new ATOM 0 HE1 TYR A 100 18.208 -0.660 1.306 1.00 0.00 H new ATOM 0 HE2 TYR A 100 15.694 1.671 3.842 1.00 0.00 H new ATOM 0 HH TYR A 100 17.369 2.527 2.685 1.00 0.00 H new ATOM 589 N LYS A 101 12.080 -4.107 3.256 1.00 0.00 N ATOM 590 CA LYS A 101 10.958 -4.927 3.697 1.00 0.00 C ATOM 591 C LYS A 101 10.070 -5.314 2.519 1.00 0.00 C ATOM 592 O LYS A 101 8.895 -5.632 2.693 1.00 0.00 O ATOM 593 CB LYS A 101 10.134 -4.178 4.747 1.00 0.00 C ATOM 594 CG LYS A 101 10.918 -3.827 5.999 1.00 0.00 C ATOM 595 CD LYS A 101 10.862 -4.947 7.025 1.00 0.00 C ATOM 596 CE LYS A 101 11.971 -4.814 8.057 1.00 0.00 C ATOM 597 NZ LYS A 101 12.137 -6.059 8.856 1.00 0.00 N ATOM 0 H LYS A 101 11.933 -3.103 3.357 1.00 0.00 H new ATOM 0 HA LYS A 101 11.359 -5.838 4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.744 -3.262 4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.275 -4.788 5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.956 -3.626 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.517 -2.912 6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 101 9.894 -4.935 7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.947 -5.909 6.520 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.909 -4.578 7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.748 -3.981 8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.902 -5.928 9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.250 -6.271 9.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.375 -6.849 8.223 1.00 0.00 H new ATOM 611 N GLY A 102 10.641 -5.285 1.318 1.00 0.00 N ATOM 612 CA GLY A 102 9.886 -5.636 0.129 1.00 0.00 C ATOM 613 C GLY A 102 8.458 -5.130 0.179 1.00 0.00 C ATOM 614 O GLY A 102 7.541 -5.788 -0.313 1.00 0.00 O ATOM 0 H GLY A 102 11.612 -5.025 1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.384 -5.224 -0.749 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.880 -6.720 0.013 1.00 0.00 H new ATOM 618 N THR A 103 8.268 -3.957 0.775 1.00 0.00 N ATOM 619 CA THR A 103 6.941 -3.365 0.890 1.00 0.00 C ATOM 620 C THR A 103 6.981 -1.867 0.609 1.00 0.00 C ATOM 621 O THR A 103 8.054 -1.270 0.530 1.00 0.00 O ATOM 622 CB THR A 103 6.341 -3.597 2.290 1.00 0.00 C ATOM 623 OG1 THR A 103 7.179 -3.002 3.287 1.00 0.00 O ATOM 624 CG2 THR A 103 6.185 -5.084 2.572 1.00 0.00 C ATOM 0 H THR A 103 9.016 -3.398 1.185 1.00 0.00 H new ATOM 0 HA THR A 103 6.311 -3.855 0.147 1.00 0.00 H new ATOM 0 HB THR A 103 5.355 -3.132 2.321 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.790 -3.153 4.174 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.760 -5.223 3.566 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.523 -5.528 1.829 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.161 -5.568 2.524 1.00 0.00 H new ATOM 632 N ALA A 104 5.806 -1.266 0.460 1.00 0.00 N ATOM 633 CA ALA A 104 5.707 0.163 0.191 1.00 0.00 C ATOM 634 C ALA A 104 4.512 0.777 0.911 1.00 0.00 C ATOM 635 O ALA A 104 3.398 0.257 0.841 1.00 0.00 O ATOM 636 CB ALA A 104 5.608 0.412 -1.307 1.00 0.00 C ATOM 0 H ALA A 104 4.908 -1.747 0.521 1.00 0.00 H new ATOM 0 HA ALA A 104 6.610 0.642 0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 104 5.535 1.483 -1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.496 0.018 -1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.722 -0.086 -1.701 1.00 0.00 H new ATOM 642 N PHE A 105 4.750 1.885 1.604 1.00 0.00 N ATOM 643 CA PHE A 105 3.692 2.569 2.340 1.00 0.00 C ATOM 644 C PHE A 105 3.332 3.892 1.671 1.00 0.00 C ATOM 645 O PHE A 105 4.191 4.748 1.460 1.00 0.00 O ATOM 646 CB PHE A 105 4.126 2.817 3.786 1.00 0.00 C ATOM 647 CG PHE A 105 4.381 1.556 4.561 1.00 0.00 C ATOM 648 CD1 PHE A 105 3.339 0.885 5.180 1.00 0.00 C ATOM 649 CD2 PHE A 105 5.663 1.040 4.669 1.00 0.00 C ATOM 650 CE1 PHE A 105 3.571 -0.276 5.894 1.00 0.00 C ATOM 651 CE2 PHE A 105 5.901 -0.120 5.381 1.00 0.00 C ATOM 652 CZ PHE A 105 4.853 -0.779 5.993 1.00 0.00 C ATOM 0 H PHE A 105 5.666 2.329 1.672 1.00 0.00 H new ATOM 0 HA PHE A 105 2.810 1.929 2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 105 5.032 3.423 3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.355 3.396 4.294 1.00 0.00 H new ATOM 0 HD1 PHE A 105 2.334 1.273 5.104 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.486 1.551 4.191 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.750 -0.789 6.374 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.905 -0.511 5.459 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.036 -1.687 6.549 1.00 0.00 H new ATOM 662 N VAL A 106 2.055 4.052 1.338 1.00 0.00 N ATOM 663 CA VAL A 106 1.580 5.270 0.693 1.00 0.00 C ATOM 664 C VAL A 106 0.373 5.845 1.426 1.00 0.00 C ATOM 665 O VAL A 106 -0.492 5.105 1.898 1.00 0.00 O ATOM 666 CB VAL A 106 1.200 5.015 -0.778 1.00 0.00 C ATOM 667 CG1 VAL A 106 0.734 6.303 -1.440 1.00 0.00 C ATOM 668 CG2 VAL A 106 2.374 4.411 -1.534 1.00 0.00 C ATOM 0 H VAL A 106 1.331 3.353 1.504 1.00 0.00 H new ATOM 0 HA VAL A 106 2.400 5.988 0.729 1.00 0.00 H new ATOM 0 HB VAL A 106 0.375 4.303 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.470 6.103 -2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.138 6.689 -0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.536 7.041 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.088 4.237 -2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.220 5.097 -1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.656 3.465 -1.072 1.00 0.00 H new ATOM 678 N THR A 107 0.319 7.170 1.518 1.00 0.00 N ATOM 679 CA THR A 107 -0.782 7.845 2.194 1.00 0.00 C ATOM 680 C THR A 107 -1.577 8.709 1.222 1.00 0.00 C ATOM 681 O THR A 107 -1.048 9.659 0.644 1.00 0.00 O ATOM 682 CB THR A 107 -0.275 8.727 3.350 1.00 0.00 C ATOM 683 OG1 THR A 107 0.796 8.068 4.036 1.00 0.00 O ATOM 684 CG2 THR A 107 -1.398 9.035 4.329 1.00 0.00 C ATOM 0 H THR A 107 1.025 7.797 1.133 1.00 0.00 H new ATOM 0 HA THR A 107 -1.430 7.067 2.598 1.00 0.00 H new ATOM 0 HB THR A 107 0.086 9.666 2.930 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.114 8.636 4.769 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.016 9.659 5.137 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.198 9.563 3.810 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.786 8.104 4.742 1.00 0.00 H new ATOM 692 N LEU A 108 -2.850 8.373 1.045 1.00 0.00 N ATOM 693 CA LEU A 108 -3.720 9.120 0.142 1.00 0.00 C ATOM 694 C LEU A 108 -4.351 10.311 0.855 1.00 0.00 C ATOM 695 O LEU A 108 -4.102 10.543 2.039 1.00 0.00 O ATOM 696 CB LEU A 108 -4.814 8.206 -0.415 1.00 0.00 C ATOM 697 CG LEU A 108 -4.479 7.474 -1.714 1.00 0.00 C ATOM 698 CD1 LEU A 108 -5.487 6.365 -1.977 1.00 0.00 C ATOM 699 CD2 LEU A 108 -4.439 8.449 -2.882 1.00 0.00 C ATOM 0 H LEU A 108 -3.303 7.589 1.514 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.112 9.494 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.061 7.463 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.711 8.804 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.492 7.023 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.233 5.855 -2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.466 5.651 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.486 6.793 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.199 7.910 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.411 8.930 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.678 9.207 -2.697 1.00 0.00 H new ATOM 711 N LEU A 109 -5.169 11.063 0.128 1.00 0.00 N ATOM 712 CA LEU A 109 -5.839 12.231 0.691 1.00 0.00 C ATOM 713 C LEU A 109 -6.971 11.812 1.623 1.00 0.00 C ATOM 714 O LEU A 109 -6.878 11.973 2.839 1.00 0.00 O ATOM 715 CB LEU A 109 -6.386 13.119 -0.428 1.00 0.00 C ATOM 716 CG LEU A 109 -7.346 14.228 0.004 1.00 0.00 C ATOM 717 CD1 LEU A 109 -6.621 15.260 0.853 1.00 0.00 C ATOM 718 CD2 LEU A 109 -7.982 14.886 -1.212 1.00 0.00 C ATOM 0 H LEU A 109 -5.385 10.885 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.107 12.796 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.543 13.577 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -6.898 12.484 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.138 13.783 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.320 16.042 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.214 14.779 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.809 15.701 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.662 15.673 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.203 15.317 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.537 14.140 -1.781 1.00 0.00 H new ATOM 730 N ASN A 110 -8.039 11.273 1.044 1.00 0.00 N ATOM 731 CA ASN A 110 -9.189 10.829 1.824 1.00 0.00 C ATOM 732 C ASN A 110 -9.252 9.306 1.881 1.00 0.00 C ATOM 733 O ASN A 110 -8.371 8.618 1.368 1.00 0.00 O ATOM 734 CB ASN A 110 -10.483 11.382 1.223 1.00 0.00 C ATOM 735 CG ASN A 110 -10.647 11.009 -0.238 1.00 0.00 C ATOM 736 OD1 ASN A 110 -10.838 9.840 -0.574 1.00 0.00 O ATOM 737 ND2 ASN A 110 -10.573 12.004 -1.114 1.00 0.00 N ATOM 0 H ASN A 110 -8.132 11.133 0.038 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.076 11.209 2.840 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -11.334 11.004 1.789 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.491 12.468 1.321 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.676 11.814 -2.111 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -10.413 12.958 -0.790 1.00 0.00 H new ATOM 744 N GLY A 111 -10.302 8.786 2.510 1.00 0.00 N ATOM 745 CA GLY A 111 -10.462 7.348 2.622 1.00 0.00 C ATOM 746 C GLY A 111 -11.052 6.730 1.370 1.00 0.00 C ATOM 747 O GLY A 111 -10.819 5.557 1.081 1.00 0.00 O ATOM 0 H GLY A 111 -11.044 9.335 2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.493 6.893 2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -11.105 7.122 3.472 1.00 0.00 H new ATOM 751 N GLU A 112 -11.820 7.521 0.627 1.00 0.00 N ATOM 752 CA GLU A 112 -12.448 7.043 -0.599 1.00 0.00 C ATOM 753 C GLU A 112 -11.398 6.548 -1.590 1.00 0.00 C ATOM 754 O GLU A 112 -11.539 5.473 -2.172 1.00 0.00 O ATOM 755 CB GLU A 112 -13.283 8.155 -1.237 1.00 0.00 C ATOM 756 CG GLU A 112 -14.328 8.743 -0.304 1.00 0.00 C ATOM 757 CD GLU A 112 -15.547 9.258 -1.044 1.00 0.00 C ATOM 758 OE1 GLU A 112 -16.410 8.433 -1.411 1.00 0.00 O ATOM 759 OE2 GLU A 112 -15.640 10.485 -1.255 1.00 0.00 O ATOM 0 H GLU A 112 -12.022 8.495 0.853 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.102 6.210 -0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.618 8.951 -1.571 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -13.780 7.761 -2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.637 7.983 0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.883 9.558 0.267 1.00 0.00 H new ATOM 766 N GLN A 113 -10.348 7.341 -1.775 1.00 0.00 N ATOM 767 CA GLN A 113 -9.275 6.984 -2.697 1.00 0.00 C ATOM 768 C GLN A 113 -8.541 5.735 -2.219 1.00 0.00 C ATOM 769 O GLN A 113 -8.031 4.957 -3.025 1.00 0.00 O ATOM 770 CB GLN A 113 -8.290 8.145 -2.841 1.00 0.00 C ATOM 771 CG GLN A 113 -8.914 9.402 -3.425 1.00 0.00 C ATOM 772 CD GLN A 113 -7.877 10.397 -3.910 1.00 0.00 C ATOM 773 OE1 GLN A 113 -6.944 10.754 -3.035 1.00 0.00 O flip ATOM 774 NE2 GLN A 113 -7.914 10.839 -5.059 1.00 0.00 N flip ATOM 0 H GLN A 113 -10.217 8.234 -1.300 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.720 6.773 -3.669 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -7.870 8.378 -1.862 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.462 7.831 -3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.565 9.128 -4.255 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.542 9.876 -2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -8.649 10.537 -5.698 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -7.209 11.507 -5.371 1.00 0.00 H new ATOM 783 N ALA A 114 -8.491 5.550 -0.904 1.00 0.00 N ATOM 784 CA ALA A 114 -7.820 4.395 -0.320 1.00 0.00 C ATOM 785 C ALA A 114 -8.566 3.106 -0.644 1.00 0.00 C ATOM 786 O ALA A 114 -7.961 2.112 -1.045 1.00 0.00 O ATOM 787 CB ALA A 114 -7.689 4.568 1.186 1.00 0.00 C ATOM 0 H ALA A 114 -8.907 6.185 -0.223 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.823 4.325 -0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -7.186 3.699 1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -7.107 5.464 1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.680 4.665 1.629 1.00 0.00 H new ATOM 793 N GLU A 115 -9.884 3.129 -0.466 1.00 0.00 N ATOM 794 CA GLU A 115 -10.711 1.959 -0.738 1.00 0.00 C ATOM 795 C GLU A 115 -10.597 1.541 -2.202 1.00 0.00 C ATOM 796 O GLU A 115 -10.428 0.362 -2.510 1.00 0.00 O ATOM 797 CB GLU A 115 -12.173 2.249 -0.392 1.00 0.00 C ATOM 798 CG GLU A 115 -13.145 1.219 -0.942 1.00 0.00 C ATOM 799 CD GLU A 115 -14.380 1.061 -0.077 1.00 0.00 C ATOM 800 OE1 GLU A 115 -14.256 1.183 1.160 1.00 0.00 O ATOM 801 OE2 GLU A 115 -15.469 0.815 -0.635 1.00 0.00 O ATOM 0 H GLU A 115 -10.401 3.944 -0.135 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.353 1.140 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.279 2.294 0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.441 3.232 -0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.446 1.510 -1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -12.640 0.257 -1.026 1.00 0.00 H new ATOM 808 N ALA A 116 -10.692 2.517 -3.099 1.00 0.00 N ATOM 809 CA ALA A 116 -10.599 2.252 -4.529 1.00 0.00 C ATOM 810 C ALA A 116 -9.248 1.642 -4.887 1.00 0.00 C ATOM 811 O ALA A 116 -9.175 0.664 -5.630 1.00 0.00 O ATOM 812 CB ALA A 116 -10.829 3.531 -5.319 1.00 0.00 C ATOM 0 H ALA A 116 -10.833 3.499 -2.860 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.374 1.532 -4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.757 3.318 -6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -11.820 3.924 -5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -10.075 4.269 -5.044 1.00 0.00 H new ATOM 818 N ALA A 117 -8.180 2.227 -4.355 1.00 0.00 N ATOM 819 CA ALA A 117 -6.831 1.740 -4.618 1.00 0.00 C ATOM 820 C ALA A 117 -6.637 0.335 -4.059 1.00 0.00 C ATOM 821 O ALA A 117 -6.061 -0.531 -4.719 1.00 0.00 O ATOM 822 CB ALA A 117 -5.802 2.693 -4.027 1.00 0.00 C ATOM 0 H ALA A 117 -8.223 3.039 -3.739 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.690 1.695 -5.698 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.799 2.317 -4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.919 3.679 -4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.950 2.766 -2.950 1.00 0.00 H new ATOM 828 N ILE A 118 -7.119 0.115 -2.841 1.00 0.00 N ATOM 829 CA ILE A 118 -6.998 -1.186 -2.195 1.00 0.00 C ATOM 830 C ILE A 118 -7.851 -2.233 -2.903 1.00 0.00 C ATOM 831 O ILE A 118 -7.433 -3.377 -3.073 1.00 0.00 O ATOM 832 CB ILE A 118 -7.412 -1.119 -0.713 1.00 0.00 C ATOM 833 CG1 ILE A 118 -6.407 -0.283 0.082 1.00 0.00 C ATOM 834 CG2 ILE A 118 -7.522 -2.520 -0.130 1.00 0.00 C ATOM 835 CD1 ILE A 118 -6.891 0.087 1.467 1.00 0.00 C ATOM 0 H ILE A 118 -7.597 0.821 -2.281 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.948 -1.473 -2.258 1.00 0.00 H new ATOM 0 HB ILE A 118 -8.389 -0.641 -0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.473 -0.838 0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -6.186 0.629 -0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.815 -2.456 0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -8.272 -3.086 -0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.558 -3.023 -0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -6.128 0.679 1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -7.809 0.669 1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -7.085 -0.820 2.039 1.00 0.00 H new ATOM 847 N ASN A 119 -9.049 -1.831 -3.315 1.00 0.00 N ATOM 848 CA ASN A 119 -9.962 -2.735 -4.007 1.00 0.00 C ATOM 849 C ASN A 119 -9.321 -3.290 -5.275 1.00 0.00 C ATOM 850 O ASN A 119 -9.421 -4.482 -5.564 1.00 0.00 O ATOM 851 CB ASN A 119 -11.264 -2.010 -4.355 1.00 0.00 C ATOM 852 CG ASN A 119 -12.458 -2.945 -4.377 1.00 0.00 C ATOM 853 OD1 ASN A 119 -12.307 -4.159 -4.513 1.00 0.00 O ATOM 854 ND2 ASN A 119 -13.653 -2.381 -4.242 1.00 0.00 N ATOM 0 H ASN A 119 -9.410 -0.886 -3.182 1.00 0.00 H new ATOM 0 HA ASN A 119 -10.185 -3.568 -3.340 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.440 -1.217 -3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -11.162 -1.533 -5.330 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -14.493 -2.959 -4.248 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.730 -1.370 -4.132 1.00 0.00 H new ATOM 861 N THR A 120 -8.661 -2.416 -6.029 1.00 0.00 N ATOM 862 CA THR A 120 -8.004 -2.817 -7.267 1.00 0.00 C ATOM 863 C THR A 120 -6.666 -3.490 -6.985 1.00 0.00 C ATOM 864 O THR A 120 -6.374 -4.561 -7.518 1.00 0.00 O ATOM 865 CB THR A 120 -7.775 -1.612 -8.197 1.00 0.00 C ATOM 866 OG1 THR A 120 -9.005 -0.907 -8.400 1.00 0.00 O ATOM 867 CG2 THR A 120 -7.216 -2.062 -9.539 1.00 0.00 C ATOM 0 H THR A 120 -8.567 -1.426 -5.804 1.00 0.00 H new ATOM 0 HA THR A 120 -8.667 -3.526 -7.762 1.00 0.00 H new ATOM 0 HB THR A 120 -7.051 -0.949 -7.723 1.00 0.00 H new ATOM 0 HG1 THR A 120 -9.204 -0.362 -7.610 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.063 -1.193 -10.179 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.265 -2.571 -9.385 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.920 -2.744 -10.016 1.00 0.00 H new ATOM 875 N PHE A 121 -5.855 -2.856 -6.145 1.00 0.00 N ATOM 876 CA PHE A 121 -4.546 -3.394 -5.792 1.00 0.00 C ATOM 877 C PHE A 121 -4.685 -4.723 -5.055 1.00 0.00 C ATOM 878 O PHE A 121 -3.784 -5.562 -5.091 1.00 0.00 O ATOM 879 CB PHE A 121 -3.777 -2.395 -4.925 1.00 0.00 C ATOM 880 CG PHE A 121 -3.615 -1.046 -5.566 1.00 0.00 C ATOM 881 CD1 PHE A 121 -3.813 -0.883 -6.928 1.00 0.00 C ATOM 882 CD2 PHE A 121 -3.264 0.059 -4.807 1.00 0.00 C ATOM 883 CE1 PHE A 121 -3.663 0.357 -7.520 1.00 0.00 C ATOM 884 CE2 PHE A 121 -3.112 1.301 -5.393 1.00 0.00 C ATOM 885 CZ PHE A 121 -3.313 1.450 -6.752 1.00 0.00 C ATOM 0 H PHE A 121 -6.081 -1.969 -5.696 1.00 0.00 H new ATOM 0 HA PHE A 121 -3.991 -3.566 -6.714 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.296 -2.277 -3.974 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -2.791 -2.803 -4.702 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.088 -1.734 -7.533 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -3.107 -0.052 -3.744 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -3.819 0.471 -8.583 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -2.837 2.154 -4.790 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.197 2.420 -7.213 1.00 0.00 H new ATOM 895 N HIS A 122 -5.819 -4.907 -4.387 1.00 0.00 N ATOM 896 CA HIS A 122 -6.076 -6.133 -3.641 1.00 0.00 C ATOM 897 C HIS A 122 -6.287 -7.311 -4.588 1.00 0.00 C ATOM 898 O HIS A 122 -6.612 -7.126 -5.760 1.00 0.00 O ATOM 899 CB HIS A 122 -7.302 -5.961 -2.743 1.00 0.00 C ATOM 900 CG HIS A 122 -7.780 -7.242 -2.131 1.00 0.00 C ATOM 901 ND1 HIS A 122 -6.998 -8.018 -1.302 1.00 0.00 N ATOM 902 CD2 HIS A 122 -8.970 -7.880 -2.230 1.00 0.00 C ATOM 903 CE1 HIS A 122 -7.686 -9.080 -0.919 1.00 0.00 C ATOM 904 NE2 HIS A 122 -8.886 -9.019 -1.468 1.00 0.00 N ATOM 0 H HIS A 122 -6.574 -4.223 -4.347 1.00 0.00 H new ATOM 0 HA HIS A 122 -5.205 -6.340 -3.019 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -7.064 -5.255 -1.948 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -8.111 -5.522 -3.327 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -9.826 -7.554 -2.802 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -7.328 -9.864 -0.268 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -9.629 -9.707 -1.346 1.00 0.00 H new ATOM 913 N GLN A 123 -6.098 -8.521 -4.071 1.00 0.00 N ATOM 914 CA GLN A 123 -6.266 -9.728 -4.871 1.00 0.00 C ATOM 915 C GLN A 123 -5.688 -9.538 -6.270 1.00 0.00 C ATOM 916 O GLN A 123 -6.275 -9.976 -7.260 1.00 0.00 O ATOM 917 CB GLN A 123 -7.747 -10.102 -4.965 1.00 0.00 C ATOM 918 CG GLN A 123 -8.590 -9.068 -5.694 1.00 0.00 C ATOM 919 CD GLN A 123 -10.051 -9.465 -5.783 1.00 0.00 C ATOM 920 OE1 GLN A 123 -10.377 -10.635 -5.984 1.00 0.00 O ATOM 921 NE2 GLN A 123 -10.939 -8.490 -5.634 1.00 0.00 N ATOM 0 H GLN A 123 -5.829 -8.691 -3.102 1.00 0.00 H new ATOM 0 HA GLN A 123 -5.725 -10.537 -4.380 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.840 -11.060 -5.476 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.144 -10.238 -3.959 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.508 -8.110 -5.180 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.194 -8.925 -6.699 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.624 -7.534 -5.469 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.937 -8.697 -5.684 1.00 0.00 H new ATOM 930 N SER A 124 -4.535 -8.882 -6.344 1.00 0.00 N ATOM 931 CA SER A 124 -3.879 -8.631 -7.623 1.00 0.00 C ATOM 932 C SER A 124 -2.636 -9.502 -7.777 1.00 0.00 C ATOM 933 O SER A 124 -2.225 -10.187 -6.840 1.00 0.00 O ATOM 934 CB SER A 124 -3.499 -7.154 -7.743 1.00 0.00 C ATOM 935 OG SER A 124 -2.331 -6.865 -6.994 1.00 0.00 O ATOM 0 H SER A 124 -4.035 -8.515 -5.534 1.00 0.00 H new ATOM 0 HA SER A 124 -4.579 -8.885 -8.419 1.00 0.00 H new ATOM 0 HB2 SER A 124 -3.335 -6.902 -8.791 1.00 0.00 H new ATOM 0 HB3 SER A 124 -4.323 -6.534 -7.391 1.00 0.00 H new ATOM 0 HG SER A 124 -2.575 -6.360 -6.190 1.00 0.00 H new ATOM 941 N ARG A 125 -2.043 -9.471 -8.965 1.00 0.00 N ATOM 942 CA ARG A 125 -0.848 -10.258 -9.244 1.00 0.00 C ATOM 943 C ARG A 125 0.144 -9.460 -10.085 1.00 0.00 C ATOM 944 O ARG A 125 -0.247 -8.691 -10.963 1.00 0.00 O ATOM 945 CB ARG A 125 -1.222 -11.553 -9.967 1.00 0.00 C ATOM 946 CG ARG A 125 -2.055 -12.503 -9.124 1.00 0.00 C ATOM 947 CD ARG A 125 -2.274 -13.831 -9.832 1.00 0.00 C ATOM 948 NE ARG A 125 -3.313 -13.741 -10.855 1.00 0.00 N ATOM 949 CZ ARG A 125 -3.440 -14.608 -11.853 1.00 0.00 C ATOM 950 NH1 ARG A 125 -2.597 -15.626 -11.962 1.00 0.00 N ATOM 951 NH2 ARG A 125 -4.411 -14.459 -12.744 1.00 0.00 N ATOM 0 H ARG A 125 -2.371 -8.909 -9.751 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.375 -10.505 -8.293 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.774 -11.306 -10.874 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.310 -12.062 -10.278 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.557 -12.676 -8.170 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.019 -12.045 -8.902 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.340 -14.155 -10.291 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.550 -14.591 -9.101 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.978 -12.969 -10.800 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -1.849 -15.744 -11.278 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.696 -16.291 -12.729 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -5.062 -13.678 -12.663 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -4.507 -15.126 -13.510 1.00 0.00 H new ATOM 965 N LEU A 126 1.430 -9.649 -9.810 1.00 0.00 N ATOM 966 CA LEU A 126 2.480 -8.947 -10.541 1.00 0.00 C ATOM 967 C LEU A 126 3.656 -9.875 -10.829 1.00 0.00 C ATOM 968 O LEU A 126 4.288 -10.396 -9.910 1.00 0.00 O ATOM 969 CB LEU A 126 2.957 -7.731 -9.746 1.00 0.00 C ATOM 970 CG LEU A 126 4.286 -7.118 -10.189 1.00 0.00 C ATOM 971 CD1 LEU A 126 4.122 -6.394 -11.517 1.00 0.00 C ATOM 972 CD2 LEU A 126 4.818 -6.170 -9.124 1.00 0.00 C ATOM 0 H LEU A 126 1.771 -10.282 -9.087 1.00 0.00 H new ATOM 0 HA LEU A 126 2.065 -8.611 -11.491 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.188 -6.961 -9.803 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.044 -8.018 -8.698 1.00 0.00 H new ATOM 0 HG LEU A 126 5.009 -7.922 -10.323 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.077 -5.964 -11.817 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.787 -7.100 -12.277 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.384 -5.599 -11.409 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.764 -5.743 -9.457 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.098 -5.369 -8.957 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.974 -6.718 -8.194 1.00 0.00 H new ATOM 984 N ARG A 127 3.946 -10.074 -12.111 1.00 0.00 N ATOM 985 CA ARG A 127 5.047 -10.938 -12.520 1.00 0.00 C ATOM 986 C ARG A 127 4.869 -12.347 -11.962 1.00 0.00 C ATOM 987 O ARG A 127 5.811 -12.941 -11.439 1.00 0.00 O ATOM 988 CB ARG A 127 6.381 -10.356 -12.048 1.00 0.00 C ATOM 989 CG ARG A 127 6.682 -8.981 -12.620 1.00 0.00 C ATOM 990 CD ARG A 127 8.138 -8.596 -12.409 1.00 0.00 C ATOM 991 NE ARG A 127 8.346 -7.155 -12.525 1.00 0.00 N ATOM 992 CZ ARG A 127 9.533 -6.598 -12.733 1.00 0.00 C ATOM 993 NH1 ARG A 127 10.614 -7.357 -12.847 1.00 0.00 N ATOM 994 NH2 ARG A 127 9.642 -5.278 -12.827 1.00 0.00 N ATOM 0 H ARG A 127 3.434 -9.649 -12.884 1.00 0.00 H new ATOM 0 HA ARG A 127 5.047 -10.994 -13.609 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.376 -10.294 -10.960 1.00 0.00 H new ATOM 0 HB3 ARG A 127 7.184 -11.039 -12.325 1.00 0.00 H new ATOM 0 HG2 ARG A 127 6.453 -8.971 -13.686 1.00 0.00 H new ATOM 0 HG3 ARG A 127 6.037 -8.240 -12.148 1.00 0.00 H new ATOM 0 HD2 ARG A 127 8.462 -8.931 -11.424 1.00 0.00 H new ATOM 0 HD3 ARG A 127 8.759 -9.112 -13.141 1.00 0.00 H new ATOM 0 HE ARG A 127 7.534 -6.543 -12.442 1.00 0.00 H new ATOM 0 HH11 ARG A 127 10.535 -8.371 -12.775 1.00 0.00 H new ATOM 0 HH12 ARG A 127 11.525 -6.927 -13.007 1.00 0.00 H new ATOM 0 HH21 ARG A 127 8.813 -4.690 -12.739 1.00 0.00 H new ATOM 0 HH22 ARG A 127 10.555 -4.852 -12.987 1.00 0.00 H new ATOM 1008 N GLU A 128 3.654 -12.875 -12.079 1.00 0.00 N ATOM 1009 CA GLU A 128 3.353 -14.213 -11.585 1.00 0.00 C ATOM 1010 C GLU A 128 3.593 -14.305 -10.081 1.00 0.00 C ATOM 1011 O GLU A 128 4.239 -15.236 -9.600 1.00 0.00 O ATOM 1012 CB GLU A 128 4.208 -15.254 -12.312 1.00 0.00 C ATOM 1013 CG GLU A 128 3.948 -15.316 -13.808 1.00 0.00 C ATOM 1014 CD GLU A 128 4.938 -16.206 -14.536 1.00 0.00 C ATOM 1015 OE1 GLU A 128 6.149 -15.905 -14.490 1.00 0.00 O ATOM 1016 OE2 GLU A 128 4.501 -17.201 -15.149 1.00 0.00 O ATOM 0 H GLU A 128 2.864 -12.397 -12.511 1.00 0.00 H new ATOM 0 HA GLU A 128 2.300 -14.416 -11.781 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.261 -15.029 -12.144 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.018 -16.236 -11.878 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.937 -15.685 -13.982 1.00 0.00 H new ATOM 0 HG3 GLU A 128 3.996 -14.309 -14.223 1.00 0.00 H new ATOM 1023 N ARG A 129 3.067 -13.332 -9.344 1.00 0.00 N ATOM 1024 CA ARG A 129 3.224 -13.301 -7.894 1.00 0.00 C ATOM 1025 C ARG A 129 1.981 -12.722 -7.225 1.00 0.00 C ATOM 1026 O ARG A 129 1.310 -11.856 -7.785 1.00 0.00 O ATOM 1027 CB ARG A 129 4.454 -12.476 -7.511 1.00 0.00 C ATOM 1028 CG ARG A 129 4.152 -11.005 -7.278 1.00 0.00 C ATOM 1029 CD ARG A 129 3.738 -10.743 -5.838 1.00 0.00 C ATOM 1030 NE ARG A 129 4.892 -10.621 -4.951 1.00 0.00 N ATOM 1031 CZ ARG A 129 5.386 -11.632 -4.245 1.00 0.00 C ATOM 1032 NH1 ARG A 129 4.831 -12.834 -4.323 1.00 0.00 N ATOM 1033 NH2 ARG A 129 6.439 -11.443 -3.460 1.00 0.00 N ATOM 0 H ARG A 129 2.529 -12.555 -9.727 1.00 0.00 H new ATOM 0 HA ARG A 129 3.359 -14.325 -7.546 1.00 0.00 H new ATOM 0 HB2 ARG A 129 4.895 -12.895 -6.607 1.00 0.00 H new ATOM 0 HB3 ARG A 129 5.200 -12.564 -8.300 1.00 0.00 H new ATOM 0 HG2 ARG A 129 5.032 -10.409 -7.519 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.356 -10.685 -7.951 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.147 -9.829 -5.791 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.098 -11.555 -5.491 1.00 0.00 H new ATOM 0 HE ARG A 129 5.343 -9.710 -4.869 1.00 0.00 H new ATOM 0 HH11 ARG A 129 4.022 -12.984 -4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 129 5.213 -13.608 -3.780 1.00 0.00 H new ATOM 0 HH21 ARG A 129 6.870 -10.521 -3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 129 6.817 -12.220 -2.918 1.00 0.00 H new ATOM 1047 N GLU A 130 1.682 -13.208 -6.024 1.00 0.00 N ATOM 1048 CA GLU A 130 0.518 -12.740 -5.280 1.00 0.00 C ATOM 1049 C GLU A 130 0.846 -11.468 -4.503 1.00 0.00 C ATOM 1050 O GLU A 130 1.791 -11.434 -3.714 1.00 0.00 O ATOM 1051 CB GLU A 130 0.029 -13.825 -4.319 1.00 0.00 C ATOM 1052 CG GLU A 130 -1.285 -13.486 -3.636 1.00 0.00 C ATOM 1053 CD GLU A 130 -2.471 -13.573 -4.576 1.00 0.00 C ATOM 1054 OE1 GLU A 130 -2.786 -12.557 -5.231 1.00 0.00 O ATOM 1055 OE2 GLU A 130 -3.085 -14.657 -4.657 1.00 0.00 O ATOM 0 H GLU A 130 2.229 -13.924 -5.546 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.273 -12.516 -5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.087 -14.759 -4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.791 -13.995 -3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.440 -14.165 -2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.226 -12.479 -3.223 1.00 0.00 H new ATOM 1062 N LEU A 131 0.059 -10.422 -4.733 1.00 0.00 N ATOM 1063 CA LEU A 131 0.264 -9.146 -4.056 1.00 0.00 C ATOM 1064 C LEU A 131 -0.765 -8.946 -2.948 1.00 0.00 C ATOM 1065 O LEU A 131 -1.961 -9.154 -3.153 1.00 0.00 O ATOM 1066 CB LEU A 131 0.181 -7.995 -5.059 1.00 0.00 C ATOM 1067 CG LEU A 131 1.254 -7.975 -6.149 1.00 0.00 C ATOM 1068 CD1 LEU A 131 0.755 -7.227 -7.376 1.00 0.00 C ATOM 1069 CD2 LEU A 131 2.536 -7.346 -5.623 1.00 0.00 C ATOM 0 H LEU A 131 -0.727 -10.433 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 131 1.257 -9.157 -3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.796 -8.029 -5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 131 0.233 -7.056 -4.509 1.00 0.00 H new ATOM 0 HG LEU A 131 1.470 -9.003 -6.439 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.532 -7.223 -8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.135 -7.720 -7.766 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.511 -6.201 -7.102 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.288 -7.340 -6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.335 -6.323 -5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 131 2.904 -7.924 -4.775 1.00 0.00 H new ATOM 1081 N SER A 132 -0.292 -8.539 -1.775 1.00 0.00 N ATOM 1082 CA SER A 132 -1.171 -8.311 -0.633 1.00 0.00 C ATOM 1083 C SER A 132 -1.384 -6.819 -0.401 1.00 0.00 C ATOM 1084 O SER A 132 -0.449 -6.024 -0.497 1.00 0.00 O ATOM 1085 CB SER A 132 -0.586 -8.957 0.624 1.00 0.00 C ATOM 1086 OG SER A 132 -1.612 -9.365 1.512 1.00 0.00 O ATOM 0 H SER A 132 0.695 -8.360 -1.590 1.00 0.00 H new ATOM 0 HA SER A 132 -2.136 -8.768 -0.851 1.00 0.00 H new ATOM 0 HB2 SER A 132 0.022 -9.818 0.345 1.00 0.00 H new ATOM 0 HB3 SER A 132 0.074 -8.250 1.126 1.00 0.00 H new ATOM 0 HG SER A 132 -1.212 -9.776 2.307 1.00 0.00 H new ATOM 1092 N VAL A 133 -2.622 -6.445 -0.094 1.00 0.00 N ATOM 1093 CA VAL A 133 -2.960 -5.048 0.154 1.00 0.00 C ATOM 1094 C VAL A 133 -3.942 -4.918 1.312 1.00 0.00 C ATOM 1095 O VAL A 133 -4.960 -5.609 1.356 1.00 0.00 O ATOM 1096 CB VAL A 133 -3.567 -4.387 -1.097 1.00 0.00 C ATOM 1097 CG1 VAL A 133 -3.767 -2.896 -0.870 1.00 0.00 C ATOM 1098 CG2 VAL A 133 -2.685 -4.636 -2.312 1.00 0.00 C ATOM 0 H VAL A 133 -3.408 -7.090 -0.011 1.00 0.00 H new ATOM 0 HA VAL A 133 -2.031 -4.538 0.410 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.542 -4.835 -1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.197 -2.446 -1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.442 -2.743 -0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -2.806 -2.429 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.129 -4.162 -3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.695 -4.216 -2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.599 -5.709 -2.485 1.00 0.00 H new ATOM 1108 N GLN A 134 -3.631 -4.026 2.248 1.00 0.00 N ATOM 1109 CA GLN A 134 -4.487 -3.805 3.407 1.00 0.00 C ATOM 1110 C GLN A 134 -4.364 -2.371 3.910 1.00 0.00 C ATOM 1111 O GLN A 134 -3.449 -1.643 3.522 1.00 0.00 O ATOM 1112 CB GLN A 134 -4.128 -4.783 4.527 1.00 0.00 C ATOM 1113 CG GLN A 134 -2.709 -4.618 5.047 1.00 0.00 C ATOM 1114 CD GLN A 134 -2.423 -5.494 6.251 1.00 0.00 C ATOM 1115 OE1 GLN A 134 -2.062 -6.663 6.111 1.00 0.00 O ATOM 1116 NE2 GLN A 134 -2.583 -4.932 7.443 1.00 0.00 N ATOM 0 H GLN A 134 -2.793 -3.445 2.226 1.00 0.00 H new ATOM 0 HA GLN A 134 -5.519 -3.976 3.102 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -4.827 -4.649 5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -4.257 -5.802 4.163 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -2.004 -4.859 4.251 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -2.543 -3.574 5.314 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -2.884 -3.960 7.512 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -2.405 -5.472 8.290 1.00 0.00 H new ATOM 1125 N LEU A 135 -5.290 -1.970 4.773 1.00 0.00 N ATOM 1126 CA LEU A 135 -5.285 -0.621 5.330 1.00 0.00 C ATOM 1127 C LEU A 135 -4.097 -0.423 6.265 1.00 0.00 C ATOM 1128 O LEU A 135 -3.680 -1.349 6.960 1.00 0.00 O ATOM 1129 CB LEU A 135 -6.591 -0.354 6.080 1.00 0.00 C ATOM 1130 CG LEU A 135 -7.819 -0.075 5.213 1.00 0.00 C ATOM 1131 CD1 LEU A 135 -9.096 -0.312 6.004 1.00 0.00 C ATOM 1132 CD2 LEU A 135 -7.779 1.347 4.673 1.00 0.00 C ATOM 0 H LEU A 135 -6.054 -2.559 5.103 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.196 0.087 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -6.806 -1.215 6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.438 0.498 6.743 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.807 -0.763 4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -9.959 -0.108 5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -9.129 -1.348 6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -9.116 0.351 6.869 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.661 1.528 4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -7.766 2.052 5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.882 1.482 4.069 1.00 0.00 H new ATOM 1144 N GLN A 136 -3.558 0.792 6.279 1.00 0.00 N ATOM 1145 CA GLN A 136 -2.419 1.113 7.131 1.00 0.00 C ATOM 1146 C GLN A 136 -2.873 1.426 8.553 1.00 0.00 C ATOM 1147 O GLN A 136 -3.885 2.091 8.774 1.00 0.00 O ATOM 1148 CB GLN A 136 -1.644 2.300 6.557 1.00 0.00 C ATOM 1149 CG GLN A 136 -0.971 3.157 7.617 1.00 0.00 C ATOM 1150 CD GLN A 136 0.303 3.811 7.118 1.00 0.00 C ATOM 1151 OE1 GLN A 136 0.852 3.419 6.088 1.00 0.00 O ATOM 1152 NE2 GLN A 136 0.779 4.813 7.846 1.00 0.00 N ATOM 0 H GLN A 136 -3.892 1.570 5.710 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.764 0.242 7.162 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -0.886 1.929 5.867 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.326 2.922 5.977 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -1.665 3.929 7.949 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.742 2.540 8.486 1.00 0.00 H new ATOM 0 HE21 GLN A 136 0.291 5.105 8.693 1.00 0.00 H new ATOM 0 HE22 GLN A 136 1.633 5.292 7.559 1.00 0.00 H new