USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=15 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 122 HIS : no HD1:sc= -4.17! C(o=-4.2!,f=-4.3!) USER MOD Set 1.2: A 123 GLN : amide:sc= 0 X(o=-4.2,f=-4.5) USER MOD Set 2.1: A 110 ASN : amide:sc= -3.47! C(o=-9.5!,f=-20!) USER MOD Set 2.2: A 113 GLN : amide:sc= -6.02! C(o=-9.5!,f=-23!) USER MOD Set 3.1: A 84 HIS : no HE2:sc= 0.981 K(o=1.7,f=-6.4!) USER MOD Set 3.2: A 95 CYS SG : rot -167:sc= 0.767 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 80 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.055) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot -46:sc= 0.206 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00335) USER MOD Single : A 94 TYR OH : rot -72:sc= 0.79 USER MOD Single : A 99 LYS NZ :NH3+ 158:sc= -0.0421 (180deg=-0.342) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -170:sc=-0.00458 (180deg=-0.113) USER MOD Single : A 103 THR OG1 : rot 114:sc= 0.564 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 119 ASN : amide:sc=-0.000753 K(o=-0.00075,f=-0.63) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot -131:sc= 1.07 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 : amide:sc= -1.5 K(o=-1.5,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 68 -4.278 5.690 4.115 1.00 0.00 N ATOM 60 CA GLY A 68 -3.030 4.953 4.057 1.00 0.00 C ATOM 61 C GLY A 68 -3.206 3.556 3.498 1.00 0.00 C ATOM 62 O GLY A 68 -4.261 2.943 3.664 1.00 0.00 O ATOM 0 HA2 GLY A 68 -2.317 5.500 3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.603 4.889 5.058 1.00 0.00 H new ATOM 66 N ILE A 69 -2.172 3.051 2.834 1.00 0.00 N ATOM 67 CA ILE A 69 -2.219 1.717 2.248 1.00 0.00 C ATOM 68 C ILE A 69 -0.942 0.939 2.549 1.00 0.00 C ATOM 69 O ILE A 69 0.092 1.524 2.874 1.00 0.00 O ATOM 70 CB ILE A 69 -2.422 1.778 0.723 1.00 0.00 C ATOM 71 CG1 ILE A 69 -1.232 2.470 0.055 1.00 0.00 C ATOM 72 CG2 ILE A 69 -3.718 2.503 0.389 1.00 0.00 C ATOM 73 CD1 ILE A 69 -0.092 1.531 -0.270 1.00 0.00 C ATOM 0 H ILE A 69 -1.292 3.545 2.688 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.069 1.205 2.699 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.489 0.760 0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.570 2.950 -0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.866 3.260 0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.847 2.538 -0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.558 1.972 0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.679 3.519 0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.717 2.090 -0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.273 1.070 0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.442 0.756 -0.951 1.00 0.00 H new ATOM 85 N LEU A 70 -1.020 -0.382 2.437 1.00 0.00 N ATOM 86 CA LEU A 70 0.130 -1.241 2.695 1.00 0.00 C ATOM 87 C LEU A 70 0.214 -2.362 1.664 1.00 0.00 C ATOM 88 O LEU A 70 -0.760 -3.079 1.431 1.00 0.00 O ATOM 89 CB LEU A 70 0.044 -1.833 4.103 1.00 0.00 C ATOM 90 CG LEU A 70 0.836 -3.119 4.340 1.00 0.00 C ATOM 91 CD1 LEU A 70 2.326 -2.869 4.163 1.00 0.00 C ATOM 92 CD2 LEU A 70 0.548 -3.674 5.727 1.00 0.00 C ATOM 0 H LEU A 70 -1.868 -0.882 2.169 1.00 0.00 H new ATOM 0 HA LEU A 70 1.031 -0.633 2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.389 -1.081 4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.004 -2.028 4.330 1.00 0.00 H new ATOM 0 HG LEU A 70 0.522 -3.857 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.873 -3.796 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.518 -2.518 3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.656 -2.114 4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.120 -4.589 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.833 -2.939 6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.516 -3.892 5.818 1.00 0.00 H new ATOM 104 N ILE A 71 1.384 -2.510 1.052 1.00 0.00 N ATOM 105 CA ILE A 71 1.596 -3.546 0.049 1.00 0.00 C ATOM 106 C ILE A 71 2.654 -4.545 0.506 1.00 0.00 C ATOM 107 O ILE A 71 3.657 -4.168 1.111 1.00 0.00 O ATOM 108 CB ILE A 71 2.025 -2.943 -1.302 1.00 0.00 C ATOM 109 CG1 ILE A 71 0.830 -2.281 -1.992 1.00 0.00 C ATOM 110 CG2 ILE A 71 2.630 -4.017 -2.193 1.00 0.00 C ATOM 111 CD1 ILE A 71 1.223 -1.347 -3.115 1.00 0.00 C ATOM 0 H ILE A 71 2.200 -1.925 1.233 1.00 0.00 H new ATOM 0 HA ILE A 71 0.644 -4.061 -0.079 1.00 0.00 H new ATOM 0 HB ILE A 71 2.783 -2.181 -1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.174 -3.056 -2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.255 -1.725 -1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.928 -3.575 -3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.503 -4.447 -1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.892 -4.799 -2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.326 -0.914 -3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.855 -0.550 -2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.772 -1.903 -3.875 1.00 0.00 H new ATOM 123 N ARG A 72 2.423 -5.820 0.210 1.00 0.00 N ATOM 124 CA ARG A 72 3.356 -6.873 0.589 1.00 0.00 C ATOM 125 C ARG A 72 3.805 -7.668 -0.633 1.00 0.00 C ATOM 126 O ARG A 72 2.990 -8.054 -1.470 1.00 0.00 O ATOM 127 CB ARG A 72 2.712 -7.811 1.612 1.00 0.00 C ATOM 128 CG ARG A 72 2.445 -7.155 2.957 1.00 0.00 C ATOM 129 CD ARG A 72 2.510 -8.165 4.092 1.00 0.00 C ATOM 130 NE ARG A 72 3.843 -8.744 4.234 1.00 0.00 N ATOM 131 CZ ARG A 72 4.268 -9.346 5.339 1.00 0.00 C ATOM 132 NH1 ARG A 72 3.469 -9.449 6.392 1.00 0.00 N ATOM 133 NH2 ARG A 72 5.496 -9.848 5.392 1.00 0.00 N ATOM 0 H ARG A 72 1.597 -6.148 -0.291 1.00 0.00 H new ATOM 0 HA ARG A 72 4.232 -6.403 1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.772 -8.186 1.207 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.362 -8.674 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.176 -6.365 3.129 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.463 -6.683 2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.224 -7.680 5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.787 -8.960 3.911 1.00 0.00 H new ATOM 0 HE ARG A 72 4.482 -8.683 3.442 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.525 -9.065 6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.799 -9.912 7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.114 -9.771 4.584 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.822 -10.310 6.241 1.00 0.00 H new ATOM 147 N GLY A 73 5.109 -7.909 -0.730 1.00 0.00 N ATOM 148 CA GLY A 73 5.645 -8.656 -1.853 1.00 0.00 C ATOM 149 C GLY A 73 5.926 -7.775 -3.054 1.00 0.00 C ATOM 150 O GLY A 73 5.190 -7.805 -4.042 1.00 0.00 O ATOM 0 H GLY A 73 5.804 -7.600 -0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.566 -9.154 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.939 -9.437 -2.136 1.00 0.00 H new ATOM 154 N LEU A 74 6.991 -6.986 -2.970 1.00 0.00 N ATOM 155 CA LEU A 74 7.367 -6.090 -4.058 1.00 0.00 C ATOM 156 C LEU A 74 8.475 -6.701 -4.909 1.00 0.00 C ATOM 157 O LEU A 74 9.280 -7.506 -4.440 1.00 0.00 O ATOM 158 CB LEU A 74 7.823 -4.741 -3.500 1.00 0.00 C ATOM 159 CG LEU A 74 6.749 -3.904 -2.805 1.00 0.00 C ATOM 160 CD1 LEU A 74 7.386 -2.841 -1.924 1.00 0.00 C ATOM 161 CD2 LEU A 74 5.824 -3.265 -3.830 1.00 0.00 C ATOM 0 H LEU A 74 7.610 -6.948 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 74 6.491 -5.938 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.632 -4.918 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.239 -4.154 -4.319 1.00 0.00 H new ATOM 0 HG LEU A 74 6.156 -4.564 -2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.605 -2.256 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.006 -3.320 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.004 -2.184 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.066 -2.673 -3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.403 -2.619 -4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.339 -4.044 -4.418 1.00 0.00 H new ATOM 173 N PRO A 75 8.521 -6.311 -6.192 1.00 0.00 N ATOM 174 CA PRO A 75 9.528 -6.806 -7.135 1.00 0.00 C ATOM 175 C PRO A 75 10.924 -6.279 -6.822 1.00 0.00 C ATOM 176 O PRO A 75 11.082 -5.325 -6.062 1.00 0.00 O ATOM 177 CB PRO A 75 9.044 -6.271 -8.485 1.00 0.00 C ATOM 178 CG PRO A 75 8.239 -5.064 -8.147 1.00 0.00 C ATOM 179 CD PRO A 75 7.594 -5.355 -6.820 1.00 0.00 C ATOM 0 HA PRO A 75 9.620 -7.892 -7.100 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.882 -6.019 -9.135 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.444 -7.012 -9.013 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.871 -4.178 -8.088 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.487 -4.869 -8.912 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.482 -4.451 -6.221 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.598 -5.782 -6.942 1.00 0.00 H new ATOM 187 N GLY A 76 11.935 -6.907 -7.415 1.00 0.00 N ATOM 188 CA GLY A 76 13.306 -6.486 -7.187 1.00 0.00 C ATOM 189 C GLY A 76 13.617 -5.151 -7.833 1.00 0.00 C ATOM 190 O GLY A 76 14.619 -4.515 -7.507 1.00 0.00 O ATOM 0 H GLY A 76 11.830 -7.699 -8.049 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.489 -6.419 -6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.985 -7.243 -7.579 1.00 0.00 H new ATOM 194 N ASP A 77 12.758 -4.727 -8.754 1.00 0.00 N ATOM 195 CA ASP A 77 12.947 -3.459 -9.449 1.00 0.00 C ATOM 196 C ASP A 77 11.908 -2.435 -9.003 1.00 0.00 C ATOM 197 O ASP A 77 11.673 -1.437 -9.684 1.00 0.00 O ATOM 198 CB ASP A 77 12.862 -3.665 -10.962 1.00 0.00 C ATOM 199 CG ASP A 77 13.917 -4.625 -11.476 1.00 0.00 C ATOM 200 OD1 ASP A 77 13.960 -5.774 -10.988 1.00 0.00 O ATOM 201 OD2 ASP A 77 14.700 -4.228 -12.365 1.00 0.00 O ATOM 0 H ASP A 77 11.924 -5.243 -9.036 1.00 0.00 H new ATOM 0 HA ASP A 77 13.937 -3.079 -9.197 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.873 -4.045 -11.219 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.974 -2.704 -11.463 1.00 0.00 H new ATOM 206 N VAL A 78 11.288 -2.690 -7.856 1.00 0.00 N ATOM 207 CA VAL A 78 10.273 -1.790 -7.319 1.00 0.00 C ATOM 208 C VAL A 78 10.865 -0.422 -7.002 1.00 0.00 C ATOM 209 O VAL A 78 11.652 -0.274 -6.066 1.00 0.00 O ATOM 210 CB VAL A 78 9.630 -2.367 -6.044 1.00 0.00 C ATOM 211 CG1 VAL A 78 10.691 -2.652 -4.992 1.00 0.00 C ATOM 212 CG2 VAL A 78 8.573 -1.416 -5.503 1.00 0.00 C ATOM 0 H VAL A 78 11.470 -3.512 -7.280 1.00 0.00 H new ATOM 0 HA VAL A 78 9.507 -1.682 -8.087 1.00 0.00 H new ATOM 0 HB VAL A 78 9.143 -3.308 -6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.217 -3.059 -4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.407 -3.374 -5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.210 -1.727 -4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.129 -1.840 -4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.034 -0.458 -5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.797 -1.268 -6.255 1.00 0.00 H new ATOM 222 N THR A 79 10.480 0.580 -7.787 1.00 0.00 N ATOM 223 CA THR A 79 10.972 1.937 -7.591 1.00 0.00 C ATOM 224 C THR A 79 9.827 2.900 -7.299 1.00 0.00 C ATOM 225 O THR A 79 8.660 2.575 -7.512 1.00 0.00 O ATOM 226 CB THR A 79 11.747 2.438 -8.825 1.00 0.00 C ATOM 227 OG1 THR A 79 12.349 3.706 -8.544 1.00 0.00 O ATOM 228 CG2 THR A 79 10.824 2.564 -10.028 1.00 0.00 C ATOM 0 H THR A 79 9.828 0.476 -8.565 1.00 0.00 H new ATOM 0 HA THR A 79 11.646 1.908 -6.735 1.00 0.00 H new ATOM 0 HB THR A 79 12.525 1.711 -9.058 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.841 4.017 -9.333 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.393 2.919 -10.887 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.390 1.591 -10.257 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.027 3.273 -9.802 1.00 0.00 H new ATOM 236 N ASN A 80 10.169 4.088 -6.810 1.00 0.00 N ATOM 237 CA ASN A 80 9.169 5.100 -6.489 1.00 0.00 C ATOM 238 C ASN A 80 8.267 5.373 -7.689 1.00 0.00 C ATOM 239 O ASN A 80 7.093 5.706 -7.531 1.00 0.00 O ATOM 240 CB ASN A 80 9.849 6.395 -6.041 1.00 0.00 C ATOM 241 CG ASN A 80 10.866 6.892 -7.049 1.00 0.00 C ATOM 242 OD1 ASN A 80 10.525 7.610 -7.990 1.00 0.00 O ATOM 243 ND2 ASN A 80 12.124 6.511 -6.858 1.00 0.00 N ATOM 0 H ASN A 80 11.131 4.373 -6.627 1.00 0.00 H new ATOM 0 HA ASN A 80 8.553 4.721 -5.673 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.092 7.164 -5.883 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.342 6.231 -5.083 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.852 6.814 -7.505 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.362 5.916 -6.065 1.00 0.00 H new ATOM 250 N GLN A 81 8.826 5.230 -8.886 1.00 0.00 N ATOM 251 CA GLN A 81 8.072 5.462 -10.113 1.00 0.00 C ATOM 252 C GLN A 81 6.934 4.456 -10.251 1.00 0.00 C ATOM 253 O GLN A 81 5.869 4.779 -10.776 1.00 0.00 O ATOM 254 CB GLN A 81 8.996 5.375 -11.328 1.00 0.00 C ATOM 255 CG GLN A 81 8.398 5.973 -12.591 1.00 0.00 C ATOM 256 CD GLN A 81 8.684 7.456 -12.727 1.00 0.00 C ATOM 257 OE1 GLN A 81 9.710 7.853 -13.280 1.00 0.00 O ATOM 258 NE2 GLN A 81 7.777 8.283 -12.222 1.00 0.00 N ATOM 0 H GLN A 81 9.797 4.955 -9.033 1.00 0.00 H new ATOM 0 HA GLN A 81 7.643 6.463 -10.063 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.931 5.888 -11.101 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.242 4.329 -11.512 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.796 5.449 -13.460 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.320 5.814 -12.589 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.941 7.910 -11.772 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.916 9.292 -12.284 1.00 0.00 H new ATOM 267 N GLU A 82 7.168 3.237 -9.776 1.00 0.00 N ATOM 268 CA GLU A 82 6.161 2.184 -9.848 1.00 0.00 C ATOM 269 C GLU A 82 4.936 2.544 -9.014 1.00 0.00 C ATOM 270 O GLU A 82 3.799 2.399 -9.464 1.00 0.00 O ATOM 271 CB GLU A 82 6.747 0.854 -9.367 1.00 0.00 C ATOM 272 CG GLU A 82 6.094 -0.363 -10.001 1.00 0.00 C ATOM 273 CD GLU A 82 6.082 -0.296 -11.515 1.00 0.00 C ATOM 274 OE1 GLU A 82 7.101 0.127 -12.100 1.00 0.00 O ATOM 275 OE2 GLU A 82 5.052 -0.668 -12.116 1.00 0.00 O ATOM 0 H GLU A 82 8.045 2.954 -9.338 1.00 0.00 H new ATOM 0 HA GLU A 82 5.853 2.082 -10.888 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.815 0.837 -9.584 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.641 0.790 -8.284 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.624 -1.261 -9.685 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.071 -0.453 -9.637 1.00 0.00 H new ATOM 282 N VAL A 83 5.175 3.014 -7.793 1.00 0.00 N ATOM 283 CA VAL A 83 4.092 3.396 -6.895 1.00 0.00 C ATOM 284 C VAL A 83 3.391 4.658 -7.385 1.00 0.00 C ATOM 285 O VAL A 83 2.168 4.775 -7.298 1.00 0.00 O ATOM 286 CB VAL A 83 4.608 3.632 -5.463 1.00 0.00 C ATOM 287 CG1 VAL A 83 4.980 2.311 -4.806 1.00 0.00 C ATOM 288 CG2 VAL A 83 5.794 4.584 -5.474 1.00 0.00 C ATOM 0 H VAL A 83 6.109 3.139 -7.404 1.00 0.00 H new ATOM 0 HA VAL A 83 3.381 2.569 -6.886 1.00 0.00 H new ATOM 0 HB VAL A 83 3.810 4.090 -4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.343 2.497 -3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.103 1.666 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.762 1.823 -5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.145 4.739 -4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.598 4.157 -6.074 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.490 5.539 -5.902 1.00 0.00 H new ATOM 298 N HIS A 84 4.173 5.601 -7.901 1.00 0.00 N ATOM 299 CA HIS A 84 3.627 6.855 -8.406 1.00 0.00 C ATOM 300 C HIS A 84 2.711 6.607 -9.600 1.00 0.00 C ATOM 301 O HIS A 84 1.597 7.128 -9.660 1.00 0.00 O ATOM 302 CB HIS A 84 4.758 7.804 -8.805 1.00 0.00 C ATOM 303 CG HIS A 84 5.213 8.696 -7.691 1.00 0.00 C ATOM 304 ND1 HIS A 84 4.455 9.742 -7.207 1.00 0.00 N ATOM 305 CD2 HIS A 84 6.354 8.692 -6.964 1.00 0.00 C ATOM 306 CE1 HIS A 84 5.112 10.344 -6.232 1.00 0.00 C ATOM 307 NE2 HIS A 84 6.267 9.726 -6.064 1.00 0.00 N ATOM 0 H HIS A 84 5.187 5.520 -7.980 1.00 0.00 H new ATOM 0 HA HIS A 84 3.041 7.314 -7.610 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.606 7.217 -9.159 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.426 8.420 -9.640 1.00 0.00 H new ATOM 0 HD1 HIS A 84 3.532 10.009 -7.549 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.180 8.004 -7.071 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.764 11.197 -5.668 1.00 0.00 H new ATOM 316 N ASP A 85 3.187 5.808 -10.549 1.00 0.00 N ATOM 317 CA ASP A 85 2.410 5.491 -11.742 1.00 0.00 C ATOM 318 C ASP A 85 1.132 4.742 -11.375 1.00 0.00 C ATOM 319 O ASP A 85 0.079 4.959 -11.976 1.00 0.00 O ATOM 320 CB ASP A 85 3.245 4.653 -12.712 1.00 0.00 C ATOM 321 CG ASP A 85 2.680 4.662 -14.119 1.00 0.00 C ATOM 322 OD1 ASP A 85 2.753 5.718 -14.782 1.00 0.00 O ATOM 323 OD2 ASP A 85 2.165 3.612 -14.557 1.00 0.00 O ATOM 0 H ASP A 85 4.107 5.368 -10.515 1.00 0.00 H new ATOM 0 HA ASP A 85 2.135 6.428 -12.226 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.266 5.034 -12.731 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.295 3.626 -12.350 1.00 0.00 H new ATOM 328 N LEU A 86 1.232 3.861 -10.386 1.00 0.00 N ATOM 329 CA LEU A 86 0.085 3.080 -9.939 1.00 0.00 C ATOM 330 C LEU A 86 -1.008 3.987 -9.381 1.00 0.00 C ATOM 331 O LEU A 86 -2.194 3.779 -9.639 1.00 0.00 O ATOM 332 CB LEU A 86 0.515 2.067 -8.876 1.00 0.00 C ATOM 333 CG LEU A 86 -0.606 1.248 -8.237 1.00 0.00 C ATOM 334 CD1 LEU A 86 -1.335 0.427 -9.290 1.00 0.00 C ATOM 335 CD2 LEU A 86 -0.051 0.345 -7.144 1.00 0.00 C ATOM 0 H LEU A 86 2.096 3.670 -9.878 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.317 2.545 -10.800 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.229 1.378 -9.327 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.043 2.601 -8.086 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.320 1.936 -7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.130 -0.149 -8.816 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.766 1.094 -10.037 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.632 -0.252 -9.773 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.863 -0.231 -6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.684 -0.336 -7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.424 0.954 -6.375 1.00 0.00 H new ATOM 347 N LEU A 87 -0.600 4.994 -8.616 1.00 0.00 N ATOM 348 CA LEU A 87 -1.544 5.935 -8.023 1.00 0.00 C ATOM 349 C LEU A 87 -1.439 7.303 -8.689 1.00 0.00 C ATOM 350 O LEU A 87 -1.625 8.334 -8.043 1.00 0.00 O ATOM 351 CB LEU A 87 -1.288 6.065 -6.520 1.00 0.00 C ATOM 352 CG LEU A 87 -1.908 4.980 -5.638 1.00 0.00 C ATOM 353 CD1 LEU A 87 -1.206 4.924 -4.290 1.00 0.00 C ATOM 354 CD2 LEU A 87 -3.398 5.228 -5.456 1.00 0.00 C ATOM 0 H LEU A 87 0.378 5.180 -8.392 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.552 5.551 -8.182 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.211 6.069 -6.354 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.665 7.033 -6.190 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.778 4.017 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.660 4.147 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.150 4.698 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.304 5.887 -3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.823 4.446 -4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.550 6.198 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.890 5.217 -6.429 1.00 0.00 H new ATOM 366 N SER A 88 -1.143 7.304 -9.984 1.00 0.00 N ATOM 367 CA SER A 88 -1.012 8.546 -10.737 1.00 0.00 C ATOM 368 C SER A 88 -2.381 9.078 -11.150 1.00 0.00 C ATOM 369 O SER A 88 -2.483 9.991 -11.970 1.00 0.00 O ATOM 370 CB SER A 88 -0.143 8.326 -11.977 1.00 0.00 C ATOM 371 OG SER A 88 0.322 9.559 -12.499 1.00 0.00 O ATOM 0 H SER A 88 -0.989 6.459 -10.534 1.00 0.00 H new ATOM 0 HA SER A 88 -0.534 9.284 -10.093 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.706 7.692 -11.722 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.717 7.798 -12.739 1.00 0.00 H new ATOM 0 HG SER A 88 -0.419 10.199 -12.536 1.00 0.00 H new ATOM 377 N ASP A 89 -3.430 8.501 -10.575 1.00 0.00 N ATOM 378 CA ASP A 89 -4.794 8.917 -10.881 1.00 0.00 C ATOM 379 C ASP A 89 -5.422 9.640 -9.693 1.00 0.00 C ATOM 380 O ASP A 89 -6.388 10.387 -9.848 1.00 0.00 O ATOM 381 CB ASP A 89 -5.646 7.705 -11.264 1.00 0.00 C ATOM 382 CG ASP A 89 -5.427 7.274 -12.700 1.00 0.00 C ATOM 383 OD1 ASP A 89 -4.338 7.554 -13.245 1.00 0.00 O ATOM 384 OD2 ASP A 89 -6.344 6.657 -13.281 1.00 0.00 O ATOM 0 H ASP A 89 -3.362 7.744 -9.895 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.756 9.607 -11.724 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -5.411 6.874 -10.599 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.699 7.944 -11.116 1.00 0.00 H new ATOM 389 N TYR A 90 -4.866 9.412 -8.508 1.00 0.00 N ATOM 390 CA TYR A 90 -5.373 10.038 -7.293 1.00 0.00 C ATOM 391 C TYR A 90 -4.353 11.016 -6.718 1.00 0.00 C ATOM 392 O TYR A 90 -3.260 11.178 -7.259 1.00 0.00 O ATOM 393 CB TYR A 90 -5.720 8.973 -6.251 1.00 0.00 C ATOM 394 CG TYR A 90 -6.470 7.791 -6.821 1.00 0.00 C ATOM 395 CD1 TYR A 90 -5.803 6.784 -7.507 1.00 0.00 C ATOM 396 CD2 TYR A 90 -7.847 7.680 -6.671 1.00 0.00 C ATOM 397 CE1 TYR A 90 -6.485 5.702 -8.030 1.00 0.00 C ATOM 398 CE2 TYR A 90 -8.537 6.601 -7.189 1.00 0.00 C ATOM 399 CZ TYR A 90 -7.852 5.615 -7.868 1.00 0.00 C ATOM 400 OH TYR A 90 -8.534 4.538 -8.386 1.00 0.00 O ATOM 0 H TYR A 90 -4.064 8.798 -8.363 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.276 10.592 -7.550 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.800 8.619 -5.785 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.321 9.429 -5.464 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.732 6.848 -7.634 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.387 8.450 -6.140 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.951 4.929 -8.562 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.607 6.530 -7.063 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.489 4.628 -8.184 1.00 0.00 H new ATOM 410 N GLU A 91 -4.719 11.663 -5.616 1.00 0.00 N ATOM 411 CA GLU A 91 -3.836 12.625 -4.966 1.00 0.00 C ATOM 412 C GLU A 91 -2.847 11.918 -4.043 1.00 0.00 C ATOM 413 O GLU A 91 -3.216 11.436 -2.972 1.00 0.00 O ATOM 414 CB GLU A 91 -4.653 13.645 -4.171 1.00 0.00 C ATOM 415 CG GLU A 91 -5.088 14.848 -4.990 1.00 0.00 C ATOM 416 CD GLU A 91 -5.946 14.464 -6.180 1.00 0.00 C ATOM 417 OE1 GLU A 91 -7.068 13.960 -5.966 1.00 0.00 O ATOM 418 OE2 GLU A 91 -5.495 14.668 -7.327 1.00 0.00 O ATOM 0 H GLU A 91 -5.620 11.539 -5.155 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.274 13.146 -5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.537 13.153 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.062 13.989 -3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.644 15.535 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.205 15.383 -5.341 1.00 0.00 H new ATOM 425 N LEU A 92 -1.589 11.860 -4.468 1.00 0.00 N ATOM 426 CA LEU A 92 -0.546 11.212 -3.681 1.00 0.00 C ATOM 427 C LEU A 92 0.063 12.186 -2.676 1.00 0.00 C ATOM 428 O LEU A 92 1.060 12.848 -2.963 1.00 0.00 O ATOM 429 CB LEU A 92 0.546 10.661 -4.600 1.00 0.00 C ATOM 430 CG LEU A 92 0.232 9.335 -5.294 1.00 0.00 C ATOM 431 CD1 LEU A 92 1.358 8.950 -6.241 1.00 0.00 C ATOM 432 CD2 LEU A 92 -0.002 8.237 -4.267 1.00 0.00 C ATOM 0 H LEU A 92 -1.267 12.254 -5.352 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.000 10.388 -3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.760 11.407 -5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.457 10.535 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.680 9.459 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.118 8.004 -6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.478 9.726 -6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.286 8.844 -5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.224 7.301 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.892 8.113 -3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.842 8.509 -3.628 1.00 0.00 H new ATOM 444 N LYS A 93 -0.543 12.266 -1.496 1.00 0.00 N ATOM 445 CA LYS A 93 -0.060 13.155 -0.447 1.00 0.00 C ATOM 446 C LYS A 93 1.378 12.816 -0.065 1.00 0.00 C ATOM 447 O LYS A 93 2.221 13.703 0.067 1.00 0.00 O ATOM 448 CB LYS A 93 -0.962 13.061 0.786 1.00 0.00 C ATOM 449 CG LYS A 93 -2.110 14.055 0.777 1.00 0.00 C ATOM 450 CD LYS A 93 -2.927 13.952 -0.500 1.00 0.00 C ATOM 451 CE LYS A 93 -3.619 15.267 -0.828 1.00 0.00 C ATOM 452 NZ LYS A 93 -2.677 16.254 -1.424 1.00 0.00 N ATOM 0 H LYS A 93 -1.370 11.725 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.085 14.175 -0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.367 12.051 0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.359 13.223 1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.754 13.876 1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.717 15.067 0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.277 13.666 -1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.673 13.164 -0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.439 15.083 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.056 15.684 0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.009 17.218 -1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.730 16.120 -1.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.633 16.114 -2.454 1.00 0.00 H new ATOM 466 N TYR A 94 1.650 11.528 0.110 1.00 0.00 N ATOM 467 CA TYR A 94 2.985 11.072 0.477 1.00 0.00 C ATOM 468 C TYR A 94 3.255 9.675 -0.074 1.00 0.00 C ATOM 469 O TYR A 94 2.414 8.781 0.031 1.00 0.00 O ATOM 470 CB TYR A 94 3.146 11.072 1.998 1.00 0.00 C ATOM 471 CG TYR A 94 4.342 10.283 2.481 1.00 0.00 C ATOM 472 CD1 TYR A 94 5.636 10.700 2.195 1.00 0.00 C ATOM 473 CD2 TYR A 94 4.178 9.119 3.222 1.00 0.00 C ATOM 474 CE1 TYR A 94 6.732 9.982 2.633 1.00 0.00 C ATOM 475 CE2 TYR A 94 5.268 8.395 3.665 1.00 0.00 C ATOM 476 CZ TYR A 94 6.543 8.830 3.368 1.00 0.00 C ATOM 477 OH TYR A 94 7.631 8.111 3.806 1.00 0.00 O ATOM 0 H TYR A 94 0.964 10.781 0.004 1.00 0.00 H new ATOM 0 HA TYR A 94 3.709 11.761 0.041 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.236 12.101 2.345 1.00 0.00 H new ATOM 0 HB3 TYR A 94 2.244 10.661 2.450 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.788 11.602 1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.181 8.774 3.456 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.731 10.321 2.401 1.00 0.00 H new ATOM 0 HE2 TYR A 94 5.123 7.493 4.241 1.00 0.00 H new ATOM 0 HH TYR A 94 8.053 7.661 3.045 1.00 0.00 H new ATOM 487 N CYS A 95 4.433 9.495 -0.660 1.00 0.00 N ATOM 488 CA CYS A 95 4.815 8.207 -1.229 1.00 0.00 C ATOM 489 C CYS A 95 6.053 7.651 -0.531 1.00 0.00 C ATOM 490 O CYS A 95 7.057 8.347 -0.378 1.00 0.00 O ATOM 491 CB CYS A 95 5.080 8.347 -2.729 1.00 0.00 C ATOM 492 SG CYS A 95 6.631 9.185 -3.130 1.00 0.00 S ATOM 0 H CYS A 95 5.140 10.224 -0.754 1.00 0.00 H new ATOM 0 HA CYS A 95 3.990 7.511 -1.077 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.089 7.355 -3.180 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.255 8.896 -3.183 1.00 0.00 H new ATOM 0 HG CYS A 95 6.642 9.496 -4.392 1.00 0.00 H new ATOM 498 N PHE A 96 5.973 6.393 -0.110 1.00 0.00 N ATOM 499 CA PHE A 96 7.085 5.744 0.574 1.00 0.00 C ATOM 500 C PHE A 96 7.342 4.355 -0.004 1.00 0.00 C ATOM 501 O PHE A 96 6.417 3.562 -0.178 1.00 0.00 O ATOM 502 CB PHE A 96 6.800 5.641 2.073 1.00 0.00 C ATOM 503 CG PHE A 96 7.976 5.163 2.876 1.00 0.00 C ATOM 504 CD1 PHE A 96 9.184 5.839 2.828 1.00 0.00 C ATOM 505 CD2 PHE A 96 7.872 4.039 3.679 1.00 0.00 C ATOM 506 CE1 PHE A 96 10.268 5.400 3.565 1.00 0.00 C ATOM 507 CE2 PHE A 96 8.953 3.596 4.419 1.00 0.00 C ATOM 508 CZ PHE A 96 10.152 4.278 4.362 1.00 0.00 C ATOM 0 H PHE A 96 5.150 5.803 -0.231 1.00 0.00 H new ATOM 0 HA PHE A 96 7.977 6.352 0.423 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.490 6.618 2.444 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.963 4.961 2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.280 6.718 2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.936 3.503 3.728 1.00 0.00 H new ATOM 0 HE1 PHE A 96 11.205 5.934 3.518 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.859 2.718 5.041 1.00 0.00 H new ATOM 0 HZ PHE A 96 10.998 3.935 4.940 1.00 0.00 H new ATOM 518 N VAL A 97 8.606 4.068 -0.299 1.00 0.00 N ATOM 519 CA VAL A 97 8.986 2.776 -0.856 1.00 0.00 C ATOM 520 C VAL A 97 10.085 2.121 -0.026 1.00 0.00 C ATOM 521 O VAL A 97 11.147 2.705 0.187 1.00 0.00 O ATOM 522 CB VAL A 97 9.470 2.912 -2.312 1.00 0.00 C ATOM 523 CG1 VAL A 97 9.969 1.575 -2.837 1.00 0.00 C ATOM 524 CG2 VAL A 97 8.358 3.459 -3.194 1.00 0.00 C ATOM 0 H VAL A 97 9.384 4.713 -0.161 1.00 0.00 H new ATOM 0 HA VAL A 97 8.095 2.148 -0.834 1.00 0.00 H new ATOM 0 HB VAL A 97 10.301 3.617 -2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.307 1.692 -3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.798 1.229 -2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.160 0.845 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.717 3.549 -4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.505 2.781 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.054 4.440 -2.829 1.00 0.00 H new ATOM 534 N ASP A 98 9.822 0.905 0.440 1.00 0.00 N ATOM 535 CA ASP A 98 10.789 0.169 1.246 1.00 0.00 C ATOM 536 C ASP A 98 11.225 -1.109 0.538 1.00 0.00 C ATOM 537 O ASP A 98 10.476 -2.084 0.474 1.00 0.00 O ATOM 538 CB ASP A 98 10.193 -0.168 2.613 1.00 0.00 C ATOM 539 CG ASP A 98 11.217 -0.764 3.560 1.00 0.00 C ATOM 540 OD1 ASP A 98 12.080 -1.534 3.090 1.00 0.00 O ATOM 541 OD2 ASP A 98 11.154 -0.461 4.770 1.00 0.00 O ATOM 0 H ASP A 98 8.947 0.408 0.273 1.00 0.00 H new ATOM 0 HA ASP A 98 11.665 0.802 1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.775 0.736 3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.370 -0.870 2.484 1.00 0.00 H new ATOM 546 N LYS A 99 12.443 -1.099 0.005 1.00 0.00 N ATOM 547 CA LYS A 99 12.981 -2.257 -0.699 1.00 0.00 C ATOM 548 C LYS A 99 13.528 -3.286 0.285 1.00 0.00 C ATOM 549 O LYS A 99 13.602 -4.475 -0.023 1.00 0.00 O ATOM 550 CB LYS A 99 14.084 -1.824 -1.667 1.00 0.00 C ATOM 551 CG LYS A 99 15.299 -1.227 -0.976 1.00 0.00 C ATOM 552 CD LYS A 99 16.566 -1.453 -1.783 1.00 0.00 C ATOM 553 CE LYS A 99 16.790 -0.338 -2.793 1.00 0.00 C ATOM 554 NZ LYS A 99 17.127 0.952 -2.130 1.00 0.00 N ATOM 0 H LYS A 99 13.076 -0.301 0.048 1.00 0.00 H new ATOM 0 HA LYS A 99 12.170 -2.716 -1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.398 -2.686 -2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.677 -1.092 -2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.146 -0.158 -0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.412 -1.672 0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.421 -1.513 -1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.502 -2.409 -2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.596 -0.619 -3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.893 -0.211 -3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.624 1.569 -2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.253 1.418 -1.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.740 0.771 -1.309 1.00 0.00 H new ATOM 568 N TYR A 100 13.907 -2.821 1.470 1.00 0.00 N ATOM 569 CA TYR A 100 14.448 -3.701 2.499 1.00 0.00 C ATOM 570 C TYR A 100 13.406 -4.721 2.946 1.00 0.00 C ATOM 571 O TYR A 100 13.575 -5.925 2.753 1.00 0.00 O ATOM 572 CB TYR A 100 14.926 -2.883 3.700 1.00 0.00 C ATOM 573 CG TYR A 100 15.614 -1.592 3.319 1.00 0.00 C ATOM 574 CD1 TYR A 100 16.445 -1.528 2.206 1.00 0.00 C ATOM 575 CD2 TYR A 100 15.436 -0.438 4.070 1.00 0.00 C ATOM 576 CE1 TYR A 100 17.077 -0.351 1.854 1.00 0.00 C ATOM 577 CE2 TYR A 100 16.062 0.744 3.725 1.00 0.00 C ATOM 578 CZ TYR A 100 16.882 0.782 2.616 1.00 0.00 C ATOM 579 OH TYR A 100 17.509 1.957 2.269 1.00 0.00 O ATOM 0 H TYR A 100 13.850 -1.840 1.742 1.00 0.00 H new ATOM 0 HA TYR A 100 15.296 -4.238 2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 100 14.071 -2.655 4.337 1.00 0.00 H new ATOM 0 HB3 TYR A 100 15.612 -3.489 4.292 1.00 0.00 H new ATOM 0 HD1 TYR A 100 16.599 -2.413 1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 100 14.796 -0.465 4.940 1.00 0.00 H new ATOM 0 HE1 TYR A 100 17.720 -0.318 0.987 1.00 0.00 H new ATOM 0 HE2 TYR A 100 15.911 1.633 4.320 1.00 0.00 H new ATOM 0 HH TYR A 100 17.265 2.659 2.908 1.00 0.00 H new ATOM 589 N LYS A 101 12.326 -4.230 3.545 1.00 0.00 N ATOM 590 CA LYS A 101 11.253 -5.096 4.019 1.00 0.00 C ATOM 591 C LYS A 101 10.476 -5.690 2.849 1.00 0.00 C ATOM 592 O LYS A 101 9.944 -6.795 2.942 1.00 0.00 O ATOM 593 CB LYS A 101 10.305 -4.315 4.932 1.00 0.00 C ATOM 594 CG LYS A 101 10.999 -3.664 6.116 1.00 0.00 C ATOM 595 CD LYS A 101 11.197 -4.648 7.256 1.00 0.00 C ATOM 596 CE LYS A 101 11.898 -3.997 8.439 1.00 0.00 C ATOM 597 NZ LYS A 101 13.302 -3.623 8.113 1.00 0.00 N ATOM 0 H LYS A 101 12.171 -3.236 3.714 1.00 0.00 H new ATOM 0 HA LYS A 101 11.702 -5.912 4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.804 -3.544 4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.532 -4.989 5.301 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.966 -3.271 5.801 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.409 -2.816 6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.230 -5.037 7.574 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.784 -5.498 6.907 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.346 -3.108 8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.892 -4.682 9.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.797 -3.341 8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.788 -4.438 7.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.303 -2.829 7.441 1.00 0.00 H new ATOM 611 N GLY A 102 10.415 -4.948 1.747 1.00 0.00 N ATOM 612 CA GLY A 102 9.702 -5.419 0.574 1.00 0.00 C ATOM 613 C GLY A 102 8.264 -4.940 0.539 1.00 0.00 C ATOM 614 O GLY A 102 7.394 -5.602 -0.028 1.00 0.00 O ATOM 0 H GLY A 102 10.847 -4.029 1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.218 -5.076 -0.323 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.719 -6.509 0.555 1.00 0.00 H new ATOM 618 N THR A 103 8.011 -3.786 1.149 1.00 0.00 N ATOM 619 CA THR A 103 6.668 -3.221 1.189 1.00 0.00 C ATOM 620 C THR A 103 6.689 -1.732 0.860 1.00 0.00 C ATOM 621 O THR A 103 7.712 -1.066 1.016 1.00 0.00 O ATOM 622 CB THR A 103 6.014 -3.421 2.569 1.00 0.00 C ATOM 623 OG1 THR A 103 6.694 -2.633 3.552 1.00 0.00 O ATOM 624 CG2 THR A 103 6.047 -4.887 2.975 1.00 0.00 C ATOM 0 H THR A 103 8.719 -3.224 1.622 1.00 0.00 H new ATOM 0 HA THR A 103 6.081 -3.749 0.438 1.00 0.00 H new ATOM 0 HB THR A 103 4.974 -3.101 2.504 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.094 -1.931 3.881 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.580 -5.004 3.953 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.504 -5.481 2.240 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.081 -5.228 3.024 1.00 0.00 H new ATOM 632 N ALA A 104 5.552 -1.216 0.404 1.00 0.00 N ATOM 633 CA ALA A 104 5.440 0.195 0.056 1.00 0.00 C ATOM 634 C ALA A 104 4.249 0.840 0.758 1.00 0.00 C ATOM 635 O ALA A 104 3.131 0.329 0.701 1.00 0.00 O ATOM 636 CB ALA A 104 5.318 0.359 -1.452 1.00 0.00 C ATOM 0 H ALA A 104 4.696 -1.754 0.267 1.00 0.00 H new ATOM 0 HA ALA A 104 6.345 0.700 0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 104 5.235 1.418 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.201 -0.058 -1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.430 -0.166 -1.804 1.00 0.00 H new ATOM 642 N PHE A 105 4.497 1.966 1.420 1.00 0.00 N ATOM 643 CA PHE A 105 3.445 2.680 2.134 1.00 0.00 C ATOM 644 C PHE A 105 3.121 4.002 1.445 1.00 0.00 C ATOM 645 O PHE A 105 4.001 4.836 1.231 1.00 0.00 O ATOM 646 CB PHE A 105 3.867 2.937 3.582 1.00 0.00 C ATOM 647 CG PHE A 105 4.060 1.681 4.382 1.00 0.00 C ATOM 648 CD1 PHE A 105 2.994 1.098 5.050 1.00 0.00 C ATOM 649 CD2 PHE A 105 5.306 1.082 4.467 1.00 0.00 C ATOM 650 CE1 PHE A 105 3.169 -0.057 5.787 1.00 0.00 C ATOM 651 CE2 PHE A 105 5.487 -0.074 5.203 1.00 0.00 C ATOM 652 CZ PHE A 105 4.417 -0.645 5.863 1.00 0.00 C ATOM 0 H PHE A 105 5.417 2.403 1.477 1.00 0.00 H new ATOM 0 HA PHE A 105 2.550 2.058 2.128 1.00 0.00 H new ATOM 0 HB2 PHE A 105 4.796 3.507 3.586 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.112 3.555 4.068 1.00 0.00 H new ATOM 0 HD1 PHE A 105 2.016 1.552 4.993 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.146 1.524 3.952 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.331 -0.500 6.304 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.464 -0.530 5.262 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.555 -1.549 6.437 1.00 0.00 H new ATOM 662 N VAL A 106 1.850 4.186 1.099 1.00 0.00 N ATOM 663 CA VAL A 106 1.408 5.406 0.434 1.00 0.00 C ATOM 664 C VAL A 106 0.275 6.072 1.206 1.00 0.00 C ATOM 665 O VAL A 106 -0.642 5.404 1.685 1.00 0.00 O ATOM 666 CB VAL A 106 0.937 5.122 -1.005 1.00 0.00 C ATOM 667 CG1 VAL A 106 0.562 6.417 -1.709 1.00 0.00 C ATOM 668 CG2 VAL A 106 2.013 4.376 -1.780 1.00 0.00 C ATOM 0 H VAL A 106 1.109 3.506 1.268 1.00 0.00 H new ATOM 0 HA VAL A 106 2.266 6.078 0.401 1.00 0.00 H new ATOM 0 HB VAL A 106 0.050 4.490 -0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.232 6.197 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.244 6.907 -1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.429 7.076 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.663 4.184 -2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.920 4.980 -1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.228 3.429 -1.285 1.00 0.00 H new ATOM 678 N THR A 107 0.343 7.395 1.322 1.00 0.00 N ATOM 679 CA THR A 107 -0.677 8.152 2.036 1.00 0.00 C ATOM 680 C THR A 107 -1.507 8.997 1.076 1.00 0.00 C ATOM 681 O THR A 107 -0.989 9.904 0.424 1.00 0.00 O ATOM 682 CB THR A 107 -0.051 9.073 3.101 1.00 0.00 C ATOM 683 OG1 THR A 107 0.990 8.378 3.797 1.00 0.00 O ATOM 684 CG2 THR A 107 -1.102 9.547 4.093 1.00 0.00 C ATOM 0 H THR A 107 1.094 7.964 0.931 1.00 0.00 H new ATOM 0 HA THR A 107 -1.323 7.425 2.529 1.00 0.00 H new ATOM 0 HB THR A 107 0.367 9.944 2.596 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.385 8.970 4.471 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.636 10.196 4.835 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.878 10.100 3.564 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.546 8.686 4.592 1.00 0.00 H new ATOM 692 N LEU A 108 -2.798 8.694 0.995 1.00 0.00 N ATOM 693 CA LEU A 108 -3.702 9.426 0.114 1.00 0.00 C ATOM 694 C LEU A 108 -4.399 10.556 0.866 1.00 0.00 C ATOM 695 O LEU A 108 -4.239 10.699 2.079 1.00 0.00 O ATOM 696 CB LEU A 108 -4.743 8.478 -0.484 1.00 0.00 C ATOM 697 CG LEU A 108 -4.359 7.807 -1.803 1.00 0.00 C ATOM 698 CD1 LEU A 108 -5.319 6.671 -2.123 1.00 0.00 C ATOM 699 CD2 LEU A 108 -4.340 8.825 -2.934 1.00 0.00 C ATOM 0 H LEU A 108 -3.242 7.947 1.528 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.111 9.861 -0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.959 7.699 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.667 9.035 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.357 7.391 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.030 6.205 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.283 5.929 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.332 7.064 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.065 8.329 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.329 9.271 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.613 9.605 -2.709 1.00 0.00 H new ATOM 711 N LEU A 109 -5.173 11.354 0.140 1.00 0.00 N ATOM 712 CA LEU A 109 -5.897 12.470 0.738 1.00 0.00 C ATOM 713 C LEU A 109 -6.918 11.973 1.757 1.00 0.00 C ATOM 714 O LEU A 109 -6.829 12.287 2.943 1.00 0.00 O ATOM 715 CB LEU A 109 -6.598 13.289 -0.347 1.00 0.00 C ATOM 716 CG LEU A 109 -7.610 14.325 0.144 1.00 0.00 C ATOM 717 CD1 LEU A 109 -6.909 15.431 0.917 1.00 0.00 C ATOM 718 CD2 LEU A 109 -8.391 14.903 -1.027 1.00 0.00 C ATOM 0 H LEU A 109 -5.316 11.249 -0.865 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.176 13.104 1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.837 13.803 -0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -7.110 12.601 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.312 13.830 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.645 16.159 1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.395 15.004 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.184 15.924 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.107 15.638 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.702 15.383 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.924 14.102 -1.539 1.00 0.00 H new ATOM 730 N ASN A 110 -7.885 11.194 1.285 1.00 0.00 N ATOM 731 CA ASN A 110 -8.923 10.652 2.155 1.00 0.00 C ATOM 732 C ASN A 110 -8.877 9.127 2.171 1.00 0.00 C ATOM 733 O ASN A 110 -8.028 8.514 1.525 1.00 0.00 O ATOM 734 CB ASN A 110 -10.303 11.126 1.695 1.00 0.00 C ATOM 735 CG ASN A 110 -10.545 10.859 0.222 1.00 0.00 C ATOM 736 OD1 ASN A 110 -10.279 9.764 -0.273 1.00 0.00 O ATOM 737 ND2 ASN A 110 -11.053 11.862 -0.485 1.00 0.00 N ATOM 0 H ASN A 110 -7.972 10.924 0.305 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.740 11.015 3.166 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -11.071 10.624 2.283 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.400 12.194 1.889 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -11.238 11.742 -1.481 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.258 12.753 -0.032 1.00 0.00 H new ATOM 744 N GLY A 111 -9.797 8.520 2.915 1.00 0.00 N ATOM 745 CA GLY A 111 -9.845 7.072 3.001 1.00 0.00 C ATOM 746 C GLY A 111 -10.533 6.442 1.807 1.00 0.00 C ATOM 747 O GLY A 111 -10.266 5.291 1.465 1.00 0.00 O ATOM 0 H GLY A 111 -10.510 9.005 3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.830 6.682 3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.368 6.783 3.912 1.00 0.00 H new ATOM 751 N GLU A 112 -11.421 7.199 1.170 1.00 0.00 N ATOM 752 CA GLU A 112 -12.151 6.706 0.008 1.00 0.00 C ATOM 753 C GLU A 112 -11.190 6.290 -1.102 1.00 0.00 C ATOM 754 O GLU A 112 -11.318 5.209 -1.674 1.00 0.00 O ATOM 755 CB GLU A 112 -13.114 7.776 -0.509 1.00 0.00 C ATOM 756 CG GLU A 112 -14.256 8.081 0.445 1.00 0.00 C ATOM 757 CD GLU A 112 -15.421 7.122 0.285 1.00 0.00 C ATOM 758 OE1 GLU A 112 -15.242 5.920 0.572 1.00 0.00 O ATOM 759 OE2 GLU A 112 -16.509 7.574 -0.127 1.00 0.00 O ATOM 0 H GLU A 112 -11.652 8.155 1.439 1.00 0.00 H new ATOM 0 HA GLU A 112 -12.724 5.831 0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.556 8.693 -0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -13.527 7.450 -1.464 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -13.890 8.035 1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.603 9.100 0.276 1.00 0.00 H new ATOM 766 N GLN A 113 -10.229 7.158 -1.399 1.00 0.00 N ATOM 767 CA GLN A 113 -9.247 6.882 -2.442 1.00 0.00 C ATOM 768 C GLN A 113 -8.415 5.653 -2.093 1.00 0.00 C ATOM 769 O GLN A 113 -8.069 4.858 -2.967 1.00 0.00 O ATOM 770 CB GLN A 113 -8.332 8.092 -2.643 1.00 0.00 C ATOM 771 CG GLN A 113 -9.070 9.346 -3.082 1.00 0.00 C ATOM 772 CD GLN A 113 -8.397 10.617 -2.603 1.00 0.00 C ATOM 773 OE1 GLN A 113 -8.889 11.290 -1.696 1.00 0.00 O ATOM 774 NE2 GLN A 113 -7.265 10.953 -3.210 1.00 0.00 N ATOM 0 H GLN A 113 -10.109 8.057 -0.933 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.784 6.684 -3.369 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -7.806 8.298 -1.711 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.576 7.846 -3.389 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.136 9.362 -4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -10.091 9.314 -2.701 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -6.893 10.366 -3.957 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -6.767 11.798 -2.929 1.00 0.00 H new ATOM 783 N ALA A 114 -8.096 5.504 -0.812 1.00 0.00 N ATOM 784 CA ALA A 114 -7.306 4.370 -0.348 1.00 0.00 C ATOM 785 C ALA A 114 -8.055 3.058 -0.552 1.00 0.00 C ATOM 786 O ALA A 114 -7.492 2.082 -1.046 1.00 0.00 O ATOM 787 CB ALA A 114 -6.938 4.547 1.118 1.00 0.00 C ATOM 0 H ALA A 114 -8.372 6.154 -0.077 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.391 4.331 -0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -6.348 3.693 1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.355 5.460 1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -7.847 4.615 1.716 1.00 0.00 H new ATOM 793 N GLU A 115 -9.328 3.043 -0.167 1.00 0.00 N ATOM 794 CA GLU A 115 -10.153 1.849 -0.308 1.00 0.00 C ATOM 795 C GLU A 115 -10.315 1.469 -1.777 1.00 0.00 C ATOM 796 O GLU A 115 -10.178 0.303 -2.146 1.00 0.00 O ATOM 797 CB GLU A 115 -11.527 2.074 0.327 1.00 0.00 C ATOM 798 CG GLU A 115 -12.554 1.020 -0.054 1.00 0.00 C ATOM 799 CD GLU A 115 -13.599 0.808 1.024 1.00 0.00 C ATOM 800 OE1 GLU A 115 -13.265 0.199 2.062 1.00 0.00 O ATOM 801 OE2 GLU A 115 -14.750 1.250 0.830 1.00 0.00 O ATOM 0 H GLU A 115 -9.809 3.843 0.244 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.652 1.030 0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.419 2.088 1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -11.899 3.055 0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.047 1.316 -0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -12.045 0.077 -0.252 1.00 0.00 H new ATOM 808 N ALA A 116 -10.609 2.462 -2.609 1.00 0.00 N ATOM 809 CA ALA A 116 -10.789 2.233 -4.038 1.00 0.00 C ATOM 810 C ALA A 116 -9.522 1.661 -4.666 1.00 0.00 C ATOM 811 O ALA A 116 -9.580 0.709 -5.444 1.00 0.00 O ATOM 812 CB ALA A 116 -11.187 3.526 -4.733 1.00 0.00 C ATOM 0 H ALA A 116 -10.728 3.433 -2.319 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.588 1.503 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -11.318 3.341 -5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -12.123 3.893 -4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -10.406 4.272 -4.588 1.00 0.00 H new ATOM 818 N ALA A 117 -8.380 2.248 -4.323 1.00 0.00 N ATOM 819 CA ALA A 117 -7.100 1.795 -4.853 1.00 0.00 C ATOM 820 C ALA A 117 -6.752 0.405 -4.333 1.00 0.00 C ATOM 821 O ALA A 117 -6.297 -0.455 -5.089 1.00 0.00 O ATOM 822 CB ALA A 117 -6.001 2.785 -4.495 1.00 0.00 C ATOM 0 H ALA A 117 -8.315 3.038 -3.681 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.183 1.738 -5.938 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -5.050 2.434 -4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.237 3.760 -4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.927 2.870 -3.411 1.00 0.00 H new ATOM 828 N ILE A 118 -6.967 0.191 -3.040 1.00 0.00 N ATOM 829 CA ILE A 118 -6.675 -1.096 -2.420 1.00 0.00 C ATOM 830 C ILE A 118 -7.591 -2.188 -2.964 1.00 0.00 C ATOM 831 O ILE A 118 -7.158 -3.315 -3.200 1.00 0.00 O ATOM 832 CB ILE A 118 -6.826 -1.031 -0.889 1.00 0.00 C ATOM 833 CG1 ILE A 118 -5.718 -0.169 -0.281 1.00 0.00 C ATOM 834 CG2 ILE A 118 -6.802 -2.431 -0.294 1.00 0.00 C ATOM 835 CD1 ILE A 118 -5.968 0.210 1.161 1.00 0.00 C ATOM 0 H ILE A 118 -7.342 0.892 -2.401 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.640 -1.337 -2.665 1.00 0.00 H new ATOM 0 HB ILE A 118 -7.787 -0.574 -0.653 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.773 -0.707 -0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.610 0.740 -0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.910 -2.368 0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.624 -3.016 -0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.855 -2.913 -0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -5.142 0.820 1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -6.897 0.776 1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -6.046 -0.693 1.766 1.00 0.00 H new ATOM 847 N ASN A 119 -8.860 -1.844 -3.162 1.00 0.00 N ATOM 848 CA ASN A 119 -9.837 -2.795 -3.679 1.00 0.00 C ATOM 849 C ASN A 119 -9.366 -3.394 -5.001 1.00 0.00 C ATOM 850 O ASN A 119 -9.417 -4.609 -5.199 1.00 0.00 O ATOM 851 CB ASN A 119 -11.192 -2.112 -3.870 1.00 0.00 C ATOM 852 CG ASN A 119 -12.354 -3.070 -3.689 1.00 0.00 C ATOM 853 OD1 ASN A 119 -12.210 -4.279 -3.871 1.00 0.00 O ATOM 854 ND2 ASN A 119 -13.514 -2.532 -3.330 1.00 0.00 N ATOM 0 H ASN A 119 -9.235 -0.915 -2.972 1.00 0.00 H new ATOM 0 HA ASN A 119 -9.943 -3.601 -2.953 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.286 -1.292 -3.158 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -11.238 -1.674 -4.867 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -14.332 -3.127 -3.194 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.587 -1.524 -3.190 1.00 0.00 H new ATOM 861 N THR A 120 -8.906 -2.534 -5.904 1.00 0.00 N ATOM 862 CA THR A 120 -8.427 -2.977 -7.207 1.00 0.00 C ATOM 863 C THR A 120 -7.023 -3.562 -7.106 1.00 0.00 C ATOM 864 O THR A 120 -6.755 -4.650 -7.616 1.00 0.00 O ATOM 865 CB THR A 120 -8.417 -1.820 -8.225 1.00 0.00 C ATOM 866 OG1 THR A 120 -9.730 -1.263 -8.346 1.00 0.00 O ATOM 867 CG2 THR A 120 -7.937 -2.301 -9.586 1.00 0.00 C ATOM 0 H THR A 120 -8.855 -1.526 -5.757 1.00 0.00 H new ATOM 0 HA THR A 120 -9.116 -3.748 -7.552 1.00 0.00 H new ATOM 0 HB THR A 120 -7.730 -1.054 -7.865 1.00 0.00 H new ATOM 0 HG1 THR A 120 -9.715 -0.527 -8.993 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.938 -1.467 -10.288 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.926 -2.698 -9.496 1.00 0.00 H new ATOM 0 HG23 THR A 120 -8.602 -3.083 -9.951 1.00 0.00 H new ATOM 875 N PHE A 121 -6.129 -2.833 -6.446 1.00 0.00 N ATOM 876 CA PHE A 121 -4.751 -3.281 -6.278 1.00 0.00 C ATOM 877 C PHE A 121 -4.698 -4.609 -5.528 1.00 0.00 C ATOM 878 O PHE A 121 -3.768 -5.397 -5.703 1.00 0.00 O ATOM 879 CB PHE A 121 -3.938 -2.225 -5.527 1.00 0.00 C ATOM 880 CG PHE A 121 -3.967 -0.871 -6.177 1.00 0.00 C ATOM 881 CD1 PHE A 121 -4.312 -0.737 -7.512 1.00 0.00 C ATOM 882 CD2 PHE A 121 -3.650 0.266 -5.452 1.00 0.00 C ATOM 883 CE1 PHE A 121 -4.339 0.508 -8.112 1.00 0.00 C ATOM 884 CE2 PHE A 121 -3.676 1.514 -6.047 1.00 0.00 C ATOM 885 CZ PHE A 121 -4.022 1.635 -7.379 1.00 0.00 C ATOM 0 H PHE A 121 -6.334 -1.930 -6.019 1.00 0.00 H new ATOM 0 HA PHE A 121 -4.319 -3.426 -7.268 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.321 -2.139 -4.510 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -2.904 -2.561 -5.451 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.562 -1.614 -8.090 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -3.379 0.177 -4.410 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -4.608 0.600 -9.154 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.426 2.393 -5.471 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.045 2.609 -7.846 1.00 0.00 H new ATOM 895 N HIS A 122 -5.703 -4.850 -4.692 1.00 0.00 N ATOM 896 CA HIS A 122 -5.771 -6.082 -3.914 1.00 0.00 C ATOM 897 C HIS A 122 -6.050 -7.280 -4.817 1.00 0.00 C ATOM 898 O HIS A 122 -6.407 -7.118 -5.984 1.00 0.00 O ATOM 899 CB HIS A 122 -6.856 -5.974 -2.842 1.00 0.00 C ATOM 900 CG HIS A 122 -7.195 -7.283 -2.198 1.00 0.00 C ATOM 901 ND1 HIS A 122 -8.385 -7.944 -2.418 1.00 0.00 N ATOM 902 CD2 HIS A 122 -6.490 -8.055 -1.338 1.00 0.00 C ATOM 903 CE1 HIS A 122 -8.399 -9.065 -1.719 1.00 0.00 C ATOM 904 NE2 HIS A 122 -7.260 -9.157 -1.056 1.00 0.00 N ATOM 0 H HIS A 122 -6.481 -4.209 -4.536 1.00 0.00 H new ATOM 0 HA HIS A 122 -4.806 -6.231 -3.430 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -6.527 -5.275 -2.073 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.757 -5.555 -3.290 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -5.506 -7.844 -0.947 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -9.205 -9.784 -1.694 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -6.995 -9.922 -0.435 1.00 0.00 H new ATOM 913 N GLN A 123 -5.884 -8.479 -4.270 1.00 0.00 N ATOM 914 CA GLN A 123 -6.116 -9.703 -5.028 1.00 0.00 C ATOM 915 C GLN A 123 -5.516 -9.600 -6.426 1.00 0.00 C ATOM 916 O GLN A 123 -5.962 -10.273 -7.355 1.00 0.00 O ATOM 917 CB GLN A 123 -7.615 -9.992 -5.124 1.00 0.00 C ATOM 918 CG GLN A 123 -8.451 -8.766 -5.455 1.00 0.00 C ATOM 919 CD GLN A 123 -9.936 -9.065 -5.497 1.00 0.00 C ATOM 920 OE1 GLN A 123 -10.354 -10.127 -5.961 1.00 0.00 O ATOM 921 NE2 GLN A 123 -10.743 -8.130 -5.011 1.00 0.00 N ATOM 0 H GLN A 123 -5.590 -8.630 -3.305 1.00 0.00 H new ATOM 0 HA GLN A 123 -5.628 -10.524 -4.502 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.782 -10.752 -5.887 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -7.957 -10.410 -4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.261 -7.991 -4.713 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.137 -8.367 -6.420 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.354 -7.265 -4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.752 -8.277 -5.012 1.00 0.00 H new ATOM 930 N SER A 124 -4.501 -8.753 -6.568 1.00 0.00 N ATOM 931 CA SER A 124 -3.842 -8.558 -7.854 1.00 0.00 C ATOM 932 C SER A 124 -2.606 -9.444 -7.970 1.00 0.00 C ATOM 933 O SER A 124 -2.221 -10.120 -7.016 1.00 0.00 O ATOM 934 CB SER A 124 -3.450 -7.090 -8.033 1.00 0.00 C ATOM 935 OG SER A 124 -2.365 -6.745 -7.189 1.00 0.00 O ATOM 0 H SER A 124 -4.117 -8.191 -5.808 1.00 0.00 H new ATOM 0 HA SER A 124 -4.543 -8.837 -8.640 1.00 0.00 H new ATOM 0 HB2 SER A 124 -3.178 -6.907 -9.073 1.00 0.00 H new ATOM 0 HB3 SER A 124 -4.305 -6.452 -7.810 1.00 0.00 H new ATOM 0 HG SER A 124 -2.574 -5.916 -6.710 1.00 0.00 H new ATOM 941 N ARG A 125 -1.988 -9.436 -9.147 1.00 0.00 N ATOM 942 CA ARG A 125 -0.796 -10.239 -9.389 1.00 0.00 C ATOM 943 C ARG A 125 0.255 -9.437 -10.152 1.00 0.00 C ATOM 944 O ARG A 125 -0.075 -8.519 -10.904 1.00 0.00 O ATOM 945 CB ARG A 125 -1.157 -11.502 -10.174 1.00 0.00 C ATOM 946 CG ARG A 125 -1.930 -12.525 -9.358 1.00 0.00 C ATOM 947 CD ARG A 125 -2.083 -13.837 -10.112 1.00 0.00 C ATOM 948 NE ARG A 125 -3.171 -13.786 -11.084 1.00 0.00 N ATOM 949 CZ ARG A 125 -4.456 -13.841 -10.752 1.00 0.00 C ATOM 950 NH1 ARG A 125 -4.812 -13.948 -9.479 1.00 0.00 N ATOM 951 NH2 ARG A 125 -5.389 -13.789 -11.694 1.00 0.00 N ATOM 0 H ARG A 125 -2.293 -8.882 -9.947 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.379 -10.525 -8.423 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.749 -11.222 -11.045 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.242 -11.963 -10.546 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.415 -12.704 -8.414 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.915 -12.128 -9.113 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.150 -14.072 -10.624 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.268 -14.643 -9.402 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.931 -13.704 -12.072 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -4.098 -13.988 -8.751 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -5.800 -13.990 -9.227 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -5.120 -13.707 -12.674 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -6.375 -13.831 -11.438 1.00 0.00 H new ATOM 965 N LEU A 126 1.520 -9.788 -9.951 1.00 0.00 N ATOM 966 CA LEU A 126 2.620 -9.100 -10.619 1.00 0.00 C ATOM 967 C LEU A 126 3.790 -10.049 -10.858 1.00 0.00 C ATOM 968 O LEU A 126 4.334 -10.630 -9.918 1.00 0.00 O ATOM 969 CB LEU A 126 3.081 -7.904 -9.785 1.00 0.00 C ATOM 970 CG LEU A 126 4.367 -7.219 -10.248 1.00 0.00 C ATOM 971 CD1 LEU A 126 4.177 -6.599 -11.624 1.00 0.00 C ATOM 972 CD2 LEU A 126 4.802 -6.164 -9.241 1.00 0.00 C ATOM 0 H LEU A 126 1.810 -10.544 -9.331 1.00 0.00 H new ATOM 0 HA LEU A 126 2.261 -8.745 -11.585 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.281 -7.163 -9.776 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.220 -8.236 -8.756 1.00 0.00 H new ATOM 0 HG LEU A 126 5.152 -7.972 -10.317 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.103 -6.116 -11.937 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.914 -7.377 -12.340 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.378 -5.859 -11.582 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.719 -5.687 -9.587 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.018 -5.413 -9.139 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.981 -6.635 -8.275 1.00 0.00 H new ATOM 984 N ARG A 127 4.174 -10.200 -12.122 1.00 0.00 N ATOM 985 CA ARG A 127 5.280 -11.078 -12.484 1.00 0.00 C ATOM 986 C ARG A 127 5.076 -12.477 -11.910 1.00 0.00 C ATOM 987 O ARG A 127 5.988 -13.055 -11.320 1.00 0.00 O ATOM 988 CB ARG A 127 6.604 -10.498 -11.983 1.00 0.00 C ATOM 989 CG ARG A 127 6.999 -9.200 -12.668 1.00 0.00 C ATOM 990 CD ARG A 127 8.161 -8.525 -11.956 1.00 0.00 C ATOM 991 NE ARG A 127 9.446 -9.111 -12.328 1.00 0.00 N ATOM 992 CZ ARG A 127 10.613 -8.509 -12.130 1.00 0.00 C ATOM 993 NH1 ARG A 127 10.657 -7.310 -11.566 1.00 0.00 N ATOM 994 NH2 ARG A 127 11.740 -9.107 -12.496 1.00 0.00 N ATOM 0 H ARG A 127 3.736 -9.726 -12.912 1.00 0.00 H new ATOM 0 HA ARG A 127 5.311 -11.152 -13.571 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.532 -10.325 -10.909 1.00 0.00 H new ATOM 0 HB3 ARG A 127 7.394 -11.234 -12.135 1.00 0.00 H new ATOM 0 HG2 ARG A 127 7.274 -9.403 -13.703 1.00 0.00 H new ATOM 0 HG3 ARG A 127 6.144 -8.525 -12.691 1.00 0.00 H new ATOM 0 HD2 ARG A 127 8.165 -7.462 -12.196 1.00 0.00 H new ATOM 0 HD3 ARG A 127 8.023 -8.608 -10.878 1.00 0.00 H new ATOM 0 HE ARG A 127 9.447 -10.033 -12.764 1.00 0.00 H new ATOM 0 HH11 ARG A 127 9.793 -6.848 -11.283 1.00 0.00 H new ATOM 0 HH12 ARG A 127 11.555 -6.850 -11.415 1.00 0.00 H new ATOM 0 HH21 ARG A 127 11.710 -10.030 -12.930 1.00 0.00 H new ATOM 0 HH22 ARG A 127 12.636 -8.644 -12.344 1.00 0.00 H new ATOM 1008 N GLU A 128 3.872 -13.013 -12.087 1.00 0.00 N ATOM 1009 CA GLU A 128 3.548 -14.343 -11.586 1.00 0.00 C ATOM 1010 C GLU A 128 3.764 -14.423 -10.077 1.00 0.00 C ATOM 1011 O GLU A 128 4.439 -15.326 -9.583 1.00 0.00 O ATOM 1012 CB GLU A 128 4.401 -15.400 -12.290 1.00 0.00 C ATOM 1013 CG GLU A 128 4.086 -15.550 -13.769 1.00 0.00 C ATOM 1014 CD GLU A 128 5.156 -16.319 -14.519 1.00 0.00 C ATOM 1015 OE1 GLU A 128 6.316 -15.856 -14.535 1.00 0.00 O ATOM 1016 OE2 GLU A 128 4.835 -17.382 -15.090 1.00 0.00 O ATOM 0 H GLU A 128 3.106 -12.547 -12.573 1.00 0.00 H new ATOM 0 HA GLU A 128 2.496 -14.536 -11.797 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.453 -15.140 -12.176 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.254 -16.361 -11.797 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.130 -16.061 -13.883 1.00 0.00 H new ATOM 0 HG3 GLU A 128 3.975 -14.562 -14.215 1.00 0.00 H new ATOM 1023 N ARG A 129 3.186 -13.471 -9.352 1.00 0.00 N ATOM 1024 CA ARG A 129 3.315 -13.432 -7.900 1.00 0.00 C ATOM 1025 C ARG A 129 2.083 -12.800 -7.261 1.00 0.00 C ATOM 1026 O ARG A 129 1.532 -11.829 -7.780 1.00 0.00 O ATOM 1027 CB ARG A 129 4.568 -12.651 -7.500 1.00 0.00 C ATOM 1028 CG ARG A 129 4.313 -11.173 -7.257 1.00 0.00 C ATOM 1029 CD ARG A 129 3.936 -10.903 -5.808 1.00 0.00 C ATOM 1030 NE ARG A 129 5.107 -10.640 -4.977 1.00 0.00 N ATOM 1031 CZ ARG A 129 5.714 -11.569 -4.247 1.00 0.00 C ATOM 1032 NH1 ARG A 129 5.262 -12.815 -4.245 1.00 0.00 N ATOM 1033 NH2 ARG A 129 6.775 -11.251 -3.516 1.00 0.00 N ATOM 0 H ARG A 129 2.624 -12.717 -9.746 1.00 0.00 H new ATOM 0 HA ARG A 129 3.403 -14.457 -7.540 1.00 0.00 H new ATOM 0 HB2 ARG A 129 4.987 -13.092 -6.596 1.00 0.00 H new ATOM 0 HB3 ARG A 129 5.318 -12.758 -8.284 1.00 0.00 H new ATOM 0 HG2 ARG A 129 5.205 -10.602 -7.514 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.513 -10.828 -7.912 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.260 -10.049 -5.763 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.394 -11.760 -5.409 1.00 0.00 H new ATOM 0 HE ARG A 129 5.480 -9.691 -4.956 1.00 0.00 H new ATOM 0 HH11 ARG A 129 4.446 -13.062 -4.805 1.00 0.00 H new ATOM 0 HH12 ARG A 129 5.730 -13.526 -3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 129 7.125 -10.293 -3.515 1.00 0.00 H new ATOM 0 HH22 ARG A 129 7.241 -11.965 -2.956 1.00 0.00 H new ATOM 1047 N GLU A 130 1.656 -13.357 -6.132 1.00 0.00 N ATOM 1048 CA GLU A 130 0.487 -12.847 -5.424 1.00 0.00 C ATOM 1049 C GLU A 130 0.848 -11.619 -4.592 1.00 0.00 C ATOM 1050 O GLU A 130 1.861 -11.606 -3.891 1.00 0.00 O ATOM 1051 CB GLU A 130 -0.103 -13.933 -4.521 1.00 0.00 C ATOM 1052 CG GLU A 130 0.767 -14.265 -3.320 1.00 0.00 C ATOM 1053 CD GLU A 130 2.029 -15.014 -3.704 1.00 0.00 C ATOM 1054 OE1 GLU A 130 2.001 -15.745 -4.715 1.00 0.00 O ATOM 1055 OE2 GLU A 130 3.044 -14.867 -2.991 1.00 0.00 O ATOM 0 H GLU A 130 2.101 -14.160 -5.688 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.257 -12.556 -6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -1.083 -13.609 -4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -0.257 -14.838 -5.109 1.00 0.00 H new ATOM 0 HG2 GLU A 130 1.038 -13.343 -2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 130 0.193 -14.866 -2.615 1.00 0.00 H new ATOM 1062 N LEU A 131 0.013 -10.590 -4.676 1.00 0.00 N ATOM 1063 CA LEU A 131 0.243 -9.356 -3.932 1.00 0.00 C ATOM 1064 C LEU A 131 -0.821 -9.162 -2.856 1.00 0.00 C ATOM 1065 O LEU A 131 -2.015 -9.307 -3.117 1.00 0.00 O ATOM 1066 CB LEU A 131 0.247 -8.157 -4.883 1.00 0.00 C ATOM 1067 CG LEU A 131 1.346 -8.147 -5.946 1.00 0.00 C ATOM 1068 CD1 LEU A 131 0.892 -7.375 -7.175 1.00 0.00 C ATOM 1069 CD2 LEU A 131 2.627 -7.551 -5.382 1.00 0.00 C ATOM 0 H LEU A 131 -0.829 -10.585 -5.251 1.00 0.00 H new ATOM 0 HA LEU A 131 1.216 -9.430 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.719 -8.115 -5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 131 0.336 -7.248 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 131 1.548 -9.176 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.687 -7.378 -7.921 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.001 -7.845 -7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.662 -6.347 -6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.398 -7.552 -6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.440 -6.528 -5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 131 2.962 -8.146 -4.532 1.00 0.00 H new ATOM 1081 N SER A 132 -0.379 -8.833 -1.647 1.00 0.00 N ATOM 1082 CA SER A 132 -1.293 -8.621 -0.531 1.00 0.00 C ATOM 1083 C SER A 132 -1.351 -7.145 -0.148 1.00 0.00 C ATOM 1084 O SER A 132 -0.339 -6.546 0.215 1.00 0.00 O ATOM 1085 CB SER A 132 -0.859 -9.456 0.676 1.00 0.00 C ATOM 1086 OG SER A 132 -1.452 -10.742 0.646 1.00 0.00 O ATOM 0 H SER A 132 0.606 -8.707 -1.415 1.00 0.00 H new ATOM 0 HA SER A 132 -2.288 -8.936 -0.844 1.00 0.00 H new ATOM 0 HB2 SER A 132 0.227 -9.553 0.684 1.00 0.00 H new ATOM 0 HB3 SER A 132 -1.140 -8.944 1.596 1.00 0.00 H new ATOM 0 HG SER A 132 -1.158 -11.256 1.427 1.00 0.00 H new ATOM 1092 N VAL A 133 -2.544 -6.565 -0.234 1.00 0.00 N ATOM 1093 CA VAL A 133 -2.736 -5.159 0.103 1.00 0.00 C ATOM 1094 C VAL A 133 -3.804 -4.993 1.179 1.00 0.00 C ATOM 1095 O VAL A 133 -4.837 -5.660 1.148 1.00 0.00 O ATOM 1096 CB VAL A 133 -3.137 -4.335 -1.134 1.00 0.00 C ATOM 1097 CG1 VAL A 133 -3.232 -2.858 -0.784 1.00 0.00 C ATOM 1098 CG2 VAL A 133 -2.146 -4.560 -2.267 1.00 0.00 C ATOM 0 H VAL A 133 -3.392 -7.047 -0.534 1.00 0.00 H new ATOM 0 HA VAL A 133 -1.782 -4.791 0.481 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.119 -4.668 -1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.516 -2.292 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -3.982 -2.716 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -2.265 -2.507 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -2.444 -3.970 -3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.150 -4.255 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.133 -5.617 -2.534 1.00 0.00 H new ATOM 1108 N GLN A 134 -3.546 -4.100 2.128 1.00 0.00 N ATOM 1109 CA GLN A 134 -4.485 -3.846 3.213 1.00 0.00 C ATOM 1110 C GLN A 134 -4.343 -2.420 3.735 1.00 0.00 C ATOM 1111 O GLN A 134 -3.344 -1.749 3.473 1.00 0.00 O ATOM 1112 CB GLN A 134 -4.263 -4.843 4.352 1.00 0.00 C ATOM 1113 CG GLN A 134 -2.858 -4.801 4.932 1.00 0.00 C ATOM 1114 CD GLN A 134 -2.512 -6.051 5.716 1.00 0.00 C ATOM 1115 OE1 GLN A 134 -1.598 -6.792 5.354 1.00 0.00 O ATOM 1116 NE2 GLN A 134 -3.244 -6.294 6.797 1.00 0.00 N ATOM 0 H GLN A 134 -2.694 -3.540 2.167 1.00 0.00 H new ATOM 0 HA GLN A 134 -5.495 -3.971 2.822 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -4.981 -4.640 5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -4.467 -5.850 3.987 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -2.139 -4.674 4.123 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -2.763 -3.931 5.582 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -3.992 -5.653 7.061 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -3.058 -7.122 7.363 1.00 0.00 H new ATOM 1125 N LEU A 135 -5.348 -1.963 4.474 1.00 0.00 N ATOM 1126 CA LEU A 135 -5.335 -0.615 5.033 1.00 0.00 C ATOM 1127 C LEU A 135 -4.195 -0.451 6.033 1.00 0.00 C ATOM 1128 O LEU A 135 -3.876 -1.375 6.781 1.00 0.00 O ATOM 1129 CB LEU A 135 -6.671 -0.311 5.712 1.00 0.00 C ATOM 1130 CG LEU A 135 -7.827 0.061 4.782 1.00 0.00 C ATOM 1131 CD1 LEU A 135 -9.161 -0.119 5.491 1.00 0.00 C ATOM 1132 CD2 LEU A 135 -7.673 1.491 4.285 1.00 0.00 C ATOM 0 H LEU A 135 -6.182 -2.505 4.700 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.181 0.089 4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -6.966 -1.183 6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.520 0.507 6.416 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.804 -0.606 3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -9.972 0.150 4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -9.273 -1.159 5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -9.195 0.523 6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.504 1.738 3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -7.669 2.173 5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.735 1.587 3.739 1.00 0.00 H new ATOM 1144 N GLN A 136 -3.586 0.730 6.041 1.00 0.00 N ATOM 1145 CA GLN A 136 -2.483 1.015 6.950 1.00 0.00 C ATOM 1146 C GLN A 136 -2.928 0.886 8.403 1.00 0.00 C ATOM 1147 O GLN A 136 -4.095 1.086 8.741 1.00 0.00 O ATOM 1148 CB GLN A 136 -1.934 2.420 6.695 1.00 0.00 C ATOM 1149 CG GLN A 136 -2.849 3.529 7.188 1.00 0.00 C ATOM 1150 CD GLN A 136 -2.094 4.799 7.530 1.00 0.00 C ATOM 1151 OE1 GLN A 136 -1.258 5.266 6.756 1.00 0.00 O ATOM 1152 NE2 GLN A 136 -2.386 5.366 8.695 1.00 0.00 N ATOM 0 H GLN A 136 -3.838 1.505 5.428 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.695 0.285 6.764 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -0.964 2.516 7.183 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -1.766 2.547 5.625 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -3.593 3.748 6.422 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -3.390 3.184 8.069 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -3.086 4.945 9.306 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -1.910 6.223 8.979 1.00 0.00 H new