USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 593 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 69 TYR OH : rot 180:sc= -0.428 USER MOD Set 1.2: A 73 HIS : no HE2:sc= -0.262 X(o=-0.69,f=-0.66) USER MOD Single : A 14 HIS : no HD1:sc= -3.06 K(o=-3.1,f=-4.1!) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 24 HIS : no HD1:sc=-0.00615 X(o=-0.0062,f=-0.14) USER MOD Single : A 26 MET CE :methyl -127:sc= -0.554 (180deg=-2.71!) USER MOD Single : A 31 LYS NZ :NH3+ -143:sc= 0.461 (180deg=0.0025) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 154:sc= -0.142 (180deg=-0.848) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.0602 K(o=-0.06,f=-1.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -120:sc= -0.0882 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 85:sc= 0.818 USER MOD Single : A 74 SER OG : rot -54:sc= 0.242 USER MOD Single : A 78 SER OG : rot 15:sc= 0.307 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot -4:sc= 0.63 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -161:sc= -0.0416 (180deg=-0.389) USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 -0.531 5.982 -4.957 1.00 0.00 N ATOM 98 CA VAL A 10 -1.295 5.348 -3.889 1.00 0.00 C ATOM 99 C VAL A 10 -1.945 4.056 -4.370 1.00 0.00 C ATOM 100 O VAL A 10 -2.648 4.041 -5.382 1.00 0.00 O ATOM 101 CB VAL A 10 -2.388 6.288 -3.346 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.352 6.682 -4.454 1.00 0.00 C ATOM 103 CG2 VAL A 10 -3.129 5.632 -2.191 1.00 0.00 C ATOM 0 HA VAL A 10 -0.591 5.121 -3.089 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.911 7.194 -2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.117 7.346 -4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.806 7.195 -5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.825 5.788 -4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.897 6.310 -1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.595 4.709 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.426 5.406 -1.389 1.00 0.00 H new ATOM 113 N LEU A 11 -1.706 2.972 -3.640 1.00 0.00 N ATOM 114 CA LEU A 11 -2.269 1.673 -3.991 1.00 0.00 C ATOM 115 C LEU A 11 -3.405 1.298 -3.046 1.00 0.00 C ATOM 116 O LEU A 11 -3.198 1.137 -1.843 1.00 0.00 O ATOM 117 CB LEU A 11 -1.182 0.597 -3.953 1.00 0.00 C ATOM 118 CG LEU A 11 -1.672 -0.849 -3.875 1.00 0.00 C ATOM 119 CD1 LEU A 11 -1.990 -1.381 -5.264 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.635 -1.727 -3.190 1.00 0.00 C ATOM 0 H LEU A 11 -1.126 2.967 -2.801 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.670 1.740 -5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.563 0.702 -4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.539 0.789 -3.094 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.586 -0.871 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.337 -2.411 -5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.768 -0.768 -5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.093 -1.345 -5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.001 -2.753 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.296 -1.699 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.457 -1.359 -2.180 1.00 0.00 H new ATOM 132 N ASP A 12 -4.606 1.159 -3.598 1.00 0.00 N ATOM 133 CA ASP A 12 -5.775 0.799 -2.804 1.00 0.00 C ATOM 134 C ASP A 12 -5.820 -0.705 -2.554 1.00 0.00 C ATOM 135 O ASP A 12 -6.121 -1.487 -3.457 1.00 0.00 O ATOM 136 CB ASP A 12 -7.055 1.250 -3.510 1.00 0.00 C ATOM 137 CG ASP A 12 -7.435 0.336 -4.658 1.00 0.00 C ATOM 138 OD1 ASP A 12 -6.894 0.522 -5.769 1.00 0.00 O ATOM 139 OD2 ASP A 12 -8.273 -0.565 -4.447 1.00 0.00 O ATOM 0 H ASP A 12 -4.795 1.290 -4.592 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.701 1.307 -1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.872 1.282 -2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.921 2.264 -3.886 1.00 0.00 H new ATOM 144 N LEU A 13 -5.518 -1.104 -1.323 1.00 0.00 N ATOM 145 CA LEU A 13 -5.523 -2.515 -0.954 1.00 0.00 C ATOM 146 C LEU A 13 -6.919 -2.964 -0.535 1.00 0.00 C ATOM 147 O LEU A 13 -7.306 -4.112 -0.755 1.00 0.00 O ATOM 148 CB LEU A 13 -4.531 -2.768 0.184 1.00 0.00 C ATOM 149 CG LEU A 13 -3.050 -2.674 -0.184 1.00 0.00 C ATOM 150 CD1 LEU A 13 -2.180 -2.947 1.033 1.00 0.00 C ATOM 151 CD2 LEU A 13 -2.717 -3.643 -1.309 1.00 0.00 C ATOM 0 H LEU A 13 -5.267 -0.470 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.222 -3.094 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.733 -2.052 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.721 -3.761 0.591 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.845 -1.662 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.129 -2.876 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.399 -2.213 1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.387 -3.948 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.659 -3.562 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.938 -4.661 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.315 -3.401 -2.187 1.00 0.00 H new ATOM 163 N HIS A 14 -7.673 -2.050 0.067 1.00 0.00 N ATOM 164 CA HIS A 14 -9.029 -2.350 0.513 1.00 0.00 C ATOM 165 C HIS A 14 -9.854 -2.951 -0.621 1.00 0.00 C ATOM 166 O HIS A 14 -9.994 -2.350 -1.685 1.00 0.00 O ATOM 167 CB HIS A 14 -9.708 -1.085 1.039 1.00 0.00 C ATOM 168 CG HIS A 14 -9.865 -0.015 0.002 1.00 0.00 C ATOM 169 ND1 HIS A 14 -10.938 0.044 -0.861 1.00 0.00 N ATOM 170 CD2 HIS A 14 -9.078 1.042 -0.305 1.00 0.00 C ATOM 171 CE1 HIS A 14 -10.803 1.090 -1.657 1.00 0.00 C ATOM 172 NE2 HIS A 14 -9.683 1.713 -1.339 1.00 0.00 N ATOM 0 H HIS A 14 -7.368 -1.095 0.257 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.966 -3.081 1.319 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.691 -1.346 1.432 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.127 -0.690 1.872 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.147 1.308 0.174 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.491 1.385 -2.435 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -9.325 2.556 -1.788 1.00 0.00 H new ATOM 180 N GLY A 15 -10.397 -4.142 -0.385 1.00 0.00 N ATOM 181 CA GLY A 15 -11.200 -4.804 -1.396 1.00 0.00 C ATOM 182 C GLY A 15 -10.606 -6.129 -1.833 1.00 0.00 C ATOM 183 O GLY A 15 -11.334 -7.061 -2.177 1.00 0.00 O ATOM 0 H GLY A 15 -10.295 -4.660 0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.204 -4.971 -1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.299 -4.150 -2.263 1.00 0.00 H new ATOM 187 N LEU A 16 -9.280 -6.213 -1.820 1.00 0.00 N ATOM 188 CA LEU A 16 -8.588 -7.434 -2.219 1.00 0.00 C ATOM 189 C LEU A 16 -8.424 -8.379 -1.034 1.00 0.00 C ATOM 190 O LEU A 16 -8.780 -8.043 0.096 1.00 0.00 O ATOM 191 CB LEU A 16 -7.218 -7.096 -2.811 1.00 0.00 C ATOM 192 CG LEU A 16 -7.212 -6.632 -4.268 1.00 0.00 C ATOM 193 CD1 LEU A 16 -6.016 -5.732 -4.536 1.00 0.00 C ATOM 194 CD2 LEU A 16 -7.202 -7.829 -5.208 1.00 0.00 C ATOM 0 H LEU A 16 -8.663 -5.451 -1.538 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.191 -7.934 -2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.763 -6.316 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.582 -7.977 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.121 -6.059 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.028 -5.411 -5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.066 -4.858 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.096 -6.281 -4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.198 -7.481 -6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.311 -8.429 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.090 -8.436 -5.034 1.00 0.00 H new ATOM 206 N HIS A 17 -7.880 -9.563 -1.298 1.00 0.00 N ATOM 207 CA HIS A 17 -7.665 -10.557 -0.252 1.00 0.00 C ATOM 208 C HIS A 17 -6.263 -10.432 0.336 1.00 0.00 C ATOM 209 O HIS A 17 -5.304 -10.133 -0.376 1.00 0.00 O ATOM 210 CB HIS A 17 -7.874 -11.966 -0.808 1.00 0.00 C ATOM 211 CG HIS A 17 -8.132 -12.994 0.250 1.00 0.00 C ATOM 212 ND1 HIS A 17 -7.283 -14.053 0.493 1.00 0.00 N ATOM 213 CD2 HIS A 17 -9.151 -13.120 1.132 1.00 0.00 C ATOM 214 CE1 HIS A 17 -7.770 -14.788 1.477 1.00 0.00 C ATOM 215 NE2 HIS A 17 -8.902 -14.243 1.884 1.00 0.00 N ATOM 0 H HIS A 17 -7.580 -9.857 -2.227 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.390 -10.376 0.542 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.714 -11.953 -1.503 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.992 -12.257 -1.379 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -10.001 -12.461 1.227 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.319 -15.683 1.880 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.495 -14.598 2.634 1.00 0.00 H new ATOM 223 N VAL A 18 -6.151 -10.663 1.640 1.00 0.00 N ATOM 224 CA VAL A 18 -4.866 -10.577 2.325 1.00 0.00 C ATOM 225 C VAL A 18 -3.729 -11.032 1.417 1.00 0.00 C ATOM 226 O VAL A 18 -2.769 -10.296 1.192 1.00 0.00 O ATOM 227 CB VAL A 18 -4.856 -11.427 3.609 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.444 -11.545 4.160 1.00 0.00 C ATOM 229 CG2 VAL A 18 -5.795 -10.834 4.648 1.00 0.00 C ATOM 0 H VAL A 18 -6.935 -10.911 2.244 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.718 -9.530 2.591 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.209 -12.429 3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.457 -12.149 5.067 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.802 -12.019 3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.059 -10.552 4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.775 -11.448 5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.475 -9.821 4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.809 -10.808 4.249 1.00 0.00 H new ATOM 239 N ASP A 19 -3.844 -12.250 0.899 1.00 0.00 N ATOM 240 CA ASP A 19 -2.826 -12.804 0.015 1.00 0.00 C ATOM 241 C ASP A 19 -2.540 -11.855 -1.145 1.00 0.00 C ATOM 242 O ASP A 19 -1.385 -11.543 -1.432 1.00 0.00 O ATOM 243 CB ASP A 19 -3.272 -14.165 -0.522 1.00 0.00 C ATOM 244 CG ASP A 19 -2.325 -14.713 -1.571 1.00 0.00 C ATOM 245 OD1 ASP A 19 -2.028 -13.983 -2.540 1.00 0.00 O ATOM 246 OD2 ASP A 19 -1.881 -15.871 -1.424 1.00 0.00 O ATOM 0 H ASP A 19 -4.632 -12.872 1.076 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.910 -12.932 0.591 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.343 -14.873 0.304 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.270 -14.074 -0.950 1.00 0.00 H new ATOM 251 N GLU A 20 -3.599 -11.403 -1.809 1.00 0.00 N ATOM 252 CA GLU A 20 -3.460 -10.492 -2.938 1.00 0.00 C ATOM 253 C GLU A 20 -2.821 -9.177 -2.502 1.00 0.00 C ATOM 254 O GLU A 20 -1.785 -8.772 -3.030 1.00 0.00 O ATOM 255 CB GLU A 20 -4.825 -10.221 -3.575 1.00 0.00 C ATOM 256 CG GLU A 20 -5.186 -11.199 -4.680 1.00 0.00 C ATOM 257 CD GLU A 20 -4.644 -10.777 -6.032 1.00 0.00 C ATOM 258 OE1 GLU A 20 -5.076 -9.723 -6.543 1.00 0.00 O ATOM 259 OE2 GLU A 20 -3.786 -11.502 -6.579 1.00 0.00 O ATOM 0 H GLU A 20 -4.562 -11.653 -1.584 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.810 -10.965 -3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.592 -10.261 -2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.833 -9.209 -3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.797 -12.186 -4.428 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.271 -11.290 -4.740 1.00 0.00 H new ATOM 266 N ALA A 21 -3.446 -8.514 -1.534 1.00 0.00 N ATOM 267 CA ALA A 21 -2.938 -7.246 -1.025 1.00 0.00 C ATOM 268 C ALA A 21 -1.438 -7.321 -0.763 1.00 0.00 C ATOM 269 O ALA A 21 -0.680 -6.445 -1.182 1.00 0.00 O ATOM 270 CB ALA A 21 -3.678 -6.853 0.245 1.00 0.00 C ATOM 0 H ALA A 21 -4.305 -8.834 -1.087 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.110 -6.483 -1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.289 -5.904 0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.741 -6.749 0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.535 -7.623 1.003 1.00 0.00 H new ATOM 276 N LEU A 22 -1.015 -8.372 -0.069 1.00 0.00 N ATOM 277 CA LEU A 22 0.396 -8.560 0.249 1.00 0.00 C ATOM 278 C LEU A 22 1.240 -8.603 -1.021 1.00 0.00 C ATOM 279 O LEU A 22 2.094 -7.744 -1.239 1.00 0.00 O ATOM 280 CB LEU A 22 0.591 -9.850 1.048 1.00 0.00 C ATOM 281 CG LEU A 22 0.400 -9.738 2.561 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.377 -11.118 3.200 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.499 -8.883 3.175 1.00 0.00 C ATOM 0 H LEU A 22 -1.629 -9.106 0.284 1.00 0.00 H new ATOM 0 HA LEU A 22 0.723 -7.713 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.106 -10.598 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.596 -10.224 0.856 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.559 -9.256 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.240 -11.018 4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.445 -11.699 2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.320 -11.627 3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.347 -8.814 4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.469 -9.338 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.469 -7.884 2.740 1.00 0.00 H new ATOM 295 N GLU A 23 0.993 -9.607 -1.856 1.00 0.00 N ATOM 296 CA GLU A 23 1.729 -9.760 -3.105 1.00 0.00 C ATOM 297 C GLU A 23 1.821 -8.430 -3.849 1.00 0.00 C ATOM 298 O GLU A 23 2.858 -8.099 -4.426 1.00 0.00 O ATOM 299 CB GLU A 23 1.057 -10.808 -3.994 1.00 0.00 C ATOM 300 CG GLU A 23 1.482 -12.233 -3.682 1.00 0.00 C ATOM 301 CD GLU A 23 0.935 -13.237 -4.679 1.00 0.00 C ATOM 302 OE1 GLU A 23 -0.269 -13.158 -5.000 1.00 0.00 O ATOM 303 OE2 GLU A 23 1.711 -14.101 -5.137 1.00 0.00 O ATOM 0 H GLU A 23 0.289 -10.326 -1.690 1.00 0.00 H new ATOM 0 HA GLU A 23 2.739 -10.092 -2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.024 -10.728 -3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.287 -10.589 -5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.570 -12.290 -3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.142 -12.499 -2.681 1.00 0.00 H new ATOM 310 N HIS A 24 0.729 -7.672 -3.831 1.00 0.00 N ATOM 311 CA HIS A 24 0.686 -6.378 -4.503 1.00 0.00 C ATOM 312 C HIS A 24 1.587 -5.369 -3.798 1.00 0.00 C ATOM 313 O HIS A 24 2.333 -4.630 -4.442 1.00 0.00 O ATOM 314 CB HIS A 24 -0.749 -5.853 -4.550 1.00 0.00 C ATOM 315 CG HIS A 24 -1.517 -6.314 -5.751 1.00 0.00 C ATOM 316 ND1 HIS A 24 -1.127 -6.040 -7.045 1.00 0.00 N ATOM 317 CD2 HIS A 24 -2.657 -7.038 -5.848 1.00 0.00 C ATOM 318 CE1 HIS A 24 -1.995 -6.573 -7.886 1.00 0.00 C ATOM 319 NE2 HIS A 24 -2.933 -7.184 -7.185 1.00 0.00 N ATOM 0 H HIS A 24 -0.137 -7.931 -3.359 1.00 0.00 H new ATOM 0 HA HIS A 24 1.050 -6.513 -5.522 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.273 -6.172 -3.649 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.729 -4.763 -4.538 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.240 -7.428 -5.027 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.946 -6.518 -8.964 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.733 -7.683 -7.574 1.00 0.00 H new ATOM 327 N LEU A 25 1.513 -5.343 -2.471 1.00 0.00 N ATOM 328 CA LEU A 25 2.321 -4.424 -1.678 1.00 0.00 C ATOM 329 C LEU A 25 3.803 -4.579 -2.007 1.00 0.00 C ATOM 330 O LEU A 25 4.565 -3.615 -1.950 1.00 0.00 O ATOM 331 CB LEU A 25 2.090 -4.668 -0.186 1.00 0.00 C ATOM 332 CG LEU A 25 3.031 -3.932 0.768 1.00 0.00 C ATOM 333 CD1 LEU A 25 2.453 -2.577 1.148 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.292 -4.769 2.012 1.00 0.00 C ATOM 0 H LEU A 25 0.902 -5.948 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 25 2.017 -3.407 -1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.066 -4.383 0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.176 -5.738 0.004 1.00 0.00 H new ATOM 0 HG LEU A 25 3.980 -3.770 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.136 -2.068 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.318 -1.974 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.490 -2.717 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.964 -4.229 2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.350 -4.963 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.750 -5.715 1.724 1.00 0.00 H new ATOM 346 N MET A 26 4.202 -5.799 -2.352 1.00 0.00 N ATOM 347 CA MET A 26 5.592 -6.079 -2.693 1.00 0.00 C ATOM 348 C MET A 26 5.905 -5.625 -4.116 1.00 0.00 C ATOM 349 O MET A 26 6.796 -4.804 -4.333 1.00 0.00 O ATOM 350 CB MET A 26 5.884 -7.574 -2.547 1.00 0.00 C ATOM 351 CG MET A 26 5.590 -8.117 -1.158 1.00 0.00 C ATOM 352 SD MET A 26 5.628 -9.918 -1.094 1.00 0.00 S ATOM 353 CE MET A 26 4.117 -10.257 -0.195 1.00 0.00 C ATOM 0 H MET A 26 3.583 -6.608 -2.403 1.00 0.00 H new ATOM 0 HA MET A 26 6.228 -5.523 -2.005 1.00 0.00 H new ATOM 0 HB2 MET A 26 5.291 -8.125 -3.277 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.932 -7.756 -2.785 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.319 -7.717 -0.454 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.610 -7.766 -0.835 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.337 -10.899 0.658 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.685 -9.320 0.157 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.407 -10.759 -0.853 1.00 0.00 H new ATOM 363 N ARG A 27 5.167 -6.165 -5.080 1.00 0.00 N ATOM 364 CA ARG A 27 5.367 -5.816 -6.481 1.00 0.00 C ATOM 365 C ARG A 27 5.393 -4.302 -6.666 1.00 0.00 C ATOM 366 O ARG A 27 6.219 -3.770 -7.409 1.00 0.00 O ATOM 367 CB ARG A 27 4.262 -6.428 -7.344 1.00 0.00 C ATOM 368 CG ARG A 27 4.568 -7.840 -7.815 1.00 0.00 C ATOM 369 CD ARG A 27 3.437 -8.403 -8.661 1.00 0.00 C ATOM 370 NE ARG A 27 3.459 -9.863 -8.704 1.00 0.00 N ATOM 371 CZ ARG A 27 2.623 -10.589 -9.437 1.00 0.00 C ATOM 372 NH1 ARG A 27 1.704 -9.995 -10.185 1.00 0.00 N ATOM 373 NH2 ARG A 27 2.706 -11.914 -9.423 1.00 0.00 N ATOM 0 H ARG A 27 4.425 -6.846 -4.916 1.00 0.00 H new ATOM 0 HA ARG A 27 6.329 -6.219 -6.796 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.332 -6.437 -6.775 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.098 -5.792 -8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.491 -7.839 -8.394 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.734 -8.485 -6.952 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.481 -8.067 -8.259 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.512 -8.009 -9.675 1.00 0.00 H new ATOM 0 HE ARG A 27 4.155 -10.351 -8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.637 -8.977 -10.199 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.063 -10.556 -10.747 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.412 -12.375 -8.849 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.064 -12.471 -9.986 1.00 0.00 H new ATOM 387 N VAL A 28 4.482 -3.613 -5.987 1.00 0.00 N ATOM 388 CA VAL A 28 4.400 -2.160 -6.075 1.00 0.00 C ATOM 389 C VAL A 28 5.571 -1.498 -5.358 1.00 0.00 C ATOM 390 O VAL A 28 6.077 -0.463 -5.795 1.00 0.00 O ATOM 391 CB VAL A 28 3.082 -1.634 -5.476 1.00 0.00 C ATOM 392 CG1 VAL A 28 1.890 -2.166 -6.257 1.00 0.00 C ATOM 393 CG2 VAL A 28 2.977 -2.012 -4.006 1.00 0.00 C ATOM 0 H VAL A 28 3.790 -4.038 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 28 4.436 -1.906 -7.134 1.00 0.00 H new ATOM 0 HB VAL A 28 3.078 -0.547 -5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.968 -1.784 -5.819 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.961 -1.841 -7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.886 -3.255 -6.217 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.040 -1.632 -3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.003 -3.097 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.813 -1.578 -3.458 1.00 0.00 H new ATOM 403 N LEU A 29 5.999 -2.102 -4.254 1.00 0.00 N ATOM 404 CA LEU A 29 7.112 -1.572 -3.475 1.00 0.00 C ATOM 405 C LEU A 29 8.360 -1.424 -4.339 1.00 0.00 C ATOM 406 O LEU A 29 9.166 -0.518 -4.131 1.00 0.00 O ATOM 407 CB LEU A 29 7.408 -2.486 -2.285 1.00 0.00 C ATOM 408 CG LEU A 29 6.697 -2.137 -0.977 1.00 0.00 C ATOM 409 CD1 LEU A 29 6.698 -3.329 -0.033 1.00 0.00 C ATOM 410 CD2 LEU A 29 7.355 -0.933 -0.318 1.00 0.00 C ATOM 0 H LEU A 29 5.592 -2.959 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 29 6.828 -0.586 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.139 -3.506 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.483 -2.477 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 29 5.662 -1.882 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.188 -3.061 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.181 -4.166 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.726 -3.616 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.836 -0.698 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.399 -1.161 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.301 -0.076 -0.990 1.00 0.00 H new ATOM 422 N GLU A 30 8.511 -2.319 -5.311 1.00 0.00 N ATOM 423 CA GLU A 30 9.660 -2.286 -6.207 1.00 0.00 C ATOM 424 C GLU A 30 9.322 -1.546 -7.499 1.00 0.00 C ATOM 425 O GLU A 30 10.056 -0.656 -7.929 1.00 0.00 O ATOM 426 CB GLU A 30 10.126 -3.707 -6.528 1.00 0.00 C ATOM 427 CG GLU A 30 9.109 -4.519 -7.313 1.00 0.00 C ATOM 428 CD GLU A 30 9.568 -5.942 -7.566 1.00 0.00 C ATOM 429 OE1 GLU A 30 9.999 -6.607 -6.601 1.00 0.00 O ATOM 430 OE2 GLU A 30 9.497 -6.389 -8.730 1.00 0.00 O ATOM 0 H GLU A 30 7.852 -3.075 -5.497 1.00 0.00 H new ATOM 0 HA GLU A 30 10.466 -1.752 -5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.054 -3.656 -7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.351 -4.226 -5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.165 -4.537 -6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.916 -4.028 -8.267 1.00 0.00 H new ATOM 437 N LYS A 31 8.205 -1.922 -8.113 1.00 0.00 N ATOM 438 CA LYS A 31 7.767 -1.295 -9.355 1.00 0.00 C ATOM 439 C LYS A 31 7.601 0.210 -9.176 1.00 0.00 C ATOM 440 O LYS A 31 7.874 0.988 -10.090 1.00 0.00 O ATOM 441 CB LYS A 31 6.447 -1.912 -9.823 1.00 0.00 C ATOM 442 CG LYS A 31 5.813 -1.178 -10.992 1.00 0.00 C ATOM 443 CD LYS A 31 6.525 -1.490 -12.298 1.00 0.00 C ATOM 444 CE LYS A 31 6.290 -0.403 -13.335 1.00 0.00 C ATOM 445 NZ LYS A 31 7.098 0.816 -13.054 1.00 0.00 N ATOM 0 H LYS A 31 7.587 -2.658 -7.771 1.00 0.00 H new ATOM 0 HA LYS A 31 8.532 -1.471 -10.111 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.621 -2.950 -10.108 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.745 -1.924 -8.989 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.763 -1.459 -11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.843 -0.104 -10.808 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.594 -1.594 -12.115 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.174 -2.446 -12.686 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.541 -0.785 -14.325 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.232 -0.141 -13.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.545 1.663 -13.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.347 0.842 -12.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.967 0.796 -13.625 1.00 0.00 H new ATOM 459 N LYS A 32 7.154 0.615 -7.992 1.00 0.00 N ATOM 460 CA LYS A 32 6.955 2.028 -7.691 1.00 0.00 C ATOM 461 C LYS A 32 8.287 2.770 -7.658 1.00 0.00 C ATOM 462 O LYS A 32 8.537 3.658 -8.474 1.00 0.00 O ATOM 463 CB LYS A 32 6.235 2.189 -6.350 1.00 0.00 C ATOM 464 CG LYS A 32 4.790 1.723 -6.376 1.00 0.00 C ATOM 465 CD LYS A 32 3.878 2.768 -6.998 1.00 0.00 C ATOM 466 CE LYS A 32 2.445 2.269 -7.098 1.00 0.00 C ATOM 467 NZ LYS A 32 1.720 2.892 -8.240 1.00 0.00 N ATOM 0 H LYS A 32 6.923 -0.016 -7.225 1.00 0.00 H new ATOM 0 HA LYS A 32 6.339 2.459 -8.480 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.775 1.628 -5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.265 3.238 -6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.717 0.793 -6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.458 1.507 -5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.906 3.679 -6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.244 3.027 -7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.445 1.185 -7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.918 2.489 -6.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.747 2.526 -8.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.698 3.924 -8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.208 2.661 -9.129 1.00 0.00 H new ATOM 481 N THR A 33 9.141 2.401 -6.708 1.00 0.00 N ATOM 482 CA THR A 33 10.448 3.031 -6.568 1.00 0.00 C ATOM 483 C THR A 33 11.273 2.874 -7.840 1.00 0.00 C ATOM 484 O THR A 33 12.045 3.761 -8.203 1.00 0.00 O ATOM 485 CB THR A 33 11.234 2.439 -5.383 1.00 0.00 C ATOM 486 OG1 THR A 33 12.517 3.066 -5.283 1.00 0.00 O ATOM 487 CG2 THR A 33 11.409 0.937 -5.547 1.00 0.00 C ATOM 0 H THR A 33 8.951 1.669 -6.024 1.00 0.00 H new ATOM 0 HA THR A 33 10.270 4.090 -6.382 1.00 0.00 H new ATOM 0 HB THR A 33 10.668 2.626 -4.471 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.009 2.685 -4.526 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.967 0.541 -4.698 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.430 0.459 -5.593 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.956 0.733 -6.468 1.00 0.00 H new ATOM 495 N GLU A 34 11.105 1.739 -8.513 1.00 0.00 N ATOM 496 CA GLU A 34 11.836 1.467 -9.745 1.00 0.00 C ATOM 497 C GLU A 34 11.898 2.710 -10.627 1.00 0.00 C ATOM 498 O GLU A 34 12.917 2.984 -11.260 1.00 0.00 O ATOM 499 CB GLU A 34 11.178 0.317 -10.510 1.00 0.00 C ATOM 500 CG GLU A 34 11.843 -1.029 -10.277 1.00 0.00 C ATOM 501 CD GLU A 34 11.713 -1.959 -11.468 1.00 0.00 C ATOM 502 OE1 GLU A 34 10.574 -2.173 -11.932 1.00 0.00 O ATOM 503 OE2 GLU A 34 12.751 -2.472 -11.935 1.00 0.00 O ATOM 0 H GLU A 34 10.470 0.994 -8.226 1.00 0.00 H new ATOM 0 HA GLU A 34 12.854 1.182 -9.478 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.130 0.250 -10.218 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.198 0.543 -11.576 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.899 -0.875 -10.055 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.399 -1.502 -9.401 1.00 0.00 H new ATOM 510 N GLU A 35 10.800 3.458 -10.663 1.00 0.00 N ATOM 511 CA GLU A 35 10.729 4.672 -11.469 1.00 0.00 C ATOM 512 C GLU A 35 11.368 5.849 -10.737 1.00 0.00 C ATOM 513 O GLU A 35 12.086 6.650 -11.336 1.00 0.00 O ATOM 514 CB GLU A 35 9.274 4.999 -11.811 1.00 0.00 C ATOM 515 CG GLU A 35 8.684 4.101 -12.886 1.00 0.00 C ATOM 516 CD GLU A 35 9.639 3.870 -14.041 1.00 0.00 C ATOM 517 OE1 GLU A 35 9.686 4.721 -14.953 1.00 0.00 O ATOM 518 OE2 GLU A 35 10.341 2.837 -14.032 1.00 0.00 O ATOM 0 H GLU A 35 9.948 3.245 -10.144 1.00 0.00 H new ATOM 0 HA GLU A 35 11.281 4.498 -12.392 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.670 4.915 -10.908 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.212 6.036 -12.141 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.414 3.141 -12.445 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.764 4.548 -13.263 1.00 0.00 H new ATOM 525 N PHE A 36 11.101 5.946 -9.439 1.00 0.00 N ATOM 526 CA PHE A 36 11.648 7.026 -8.625 1.00 0.00 C ATOM 527 C PHE A 36 13.173 7.009 -8.654 1.00 0.00 C ATOM 528 O PHE A 36 13.819 8.055 -8.582 1.00 0.00 O ATOM 529 CB PHE A 36 11.152 6.906 -7.182 1.00 0.00 C ATOM 530 CG PHE A 36 12.127 7.434 -6.168 1.00 0.00 C ATOM 531 CD1 PHE A 36 12.196 8.790 -5.894 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.974 6.573 -5.489 1.00 0.00 C ATOM 533 CE1 PHE A 36 13.091 9.278 -4.961 1.00 0.00 C ATOM 534 CE2 PHE A 36 13.871 7.055 -4.555 1.00 0.00 C ATOM 535 CZ PHE A 36 13.930 8.410 -4.292 1.00 0.00 C ATOM 0 H PHE A 36 10.510 5.290 -8.928 1.00 0.00 H new ATOM 0 HA PHE A 36 11.305 7.973 -9.042 1.00 0.00 H new ATOM 0 HB2 PHE A 36 10.210 7.445 -7.084 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.944 5.859 -6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.543 9.474 -6.416 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.933 5.513 -5.692 1.00 0.00 H new ATOM 0 HE1 PHE A 36 13.134 10.337 -4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 36 14.525 6.373 -4.031 1.00 0.00 H new ATOM 0 HZ PHE A 36 14.632 8.789 -3.564 1.00 0.00 H new ATOM 545 N LYS A 37 13.744 5.813 -8.758 1.00 0.00 N ATOM 546 CA LYS A 37 15.193 5.657 -8.797 1.00 0.00 C ATOM 547 C LYS A 37 15.793 6.434 -9.965 1.00 0.00 C ATOM 548 O LYS A 37 16.665 7.281 -9.775 1.00 0.00 O ATOM 549 CB LYS A 37 15.565 4.177 -8.911 1.00 0.00 C ATOM 550 CG LYS A 37 15.099 3.341 -7.731 1.00 0.00 C ATOM 551 CD LYS A 37 16.024 2.161 -7.485 1.00 0.00 C ATOM 552 CE LYS A 37 15.343 1.083 -6.656 1.00 0.00 C ATOM 553 NZ LYS A 37 14.575 0.131 -7.506 1.00 0.00 N ATOM 0 H LYS A 37 13.224 4.937 -8.817 1.00 0.00 H new ATOM 0 HA LYS A 37 15.601 6.057 -7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.133 3.772 -9.826 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.648 4.089 -9.003 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.056 3.963 -6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.088 2.979 -7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.342 1.741 -8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.923 2.503 -6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.093 0.536 -6.085 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.671 1.549 -5.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.502 -0.786 -7.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.621 0.509 -7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.065 0.004 -8.415 1.00 0.00 H new ATOM 567 N GLN A 38 15.318 6.140 -11.171 1.00 0.00 N ATOM 568 CA GLN A 38 15.808 6.812 -12.369 1.00 0.00 C ATOM 569 C GLN A 38 14.886 7.961 -12.764 1.00 0.00 C ATOM 570 O GLN A 38 15.321 9.106 -12.880 1.00 0.00 O ATOM 571 CB GLN A 38 15.927 5.817 -13.525 1.00 0.00 C ATOM 572 CG GLN A 38 15.657 6.434 -14.888 1.00 0.00 C ATOM 573 CD GLN A 38 16.472 5.789 -15.992 1.00 0.00 C ATOM 574 OE1 GLN A 38 17.253 6.455 -16.672 1.00 0.00 O ATOM 575 NE2 GLN A 38 16.294 4.486 -16.176 1.00 0.00 N ATOM 0 H GLN A 38 14.595 5.442 -11.344 1.00 0.00 H new ATOM 0 HA GLN A 38 16.794 7.221 -12.148 1.00 0.00 H new ATOM 0 HB2 GLN A 38 16.929 5.387 -13.522 1.00 0.00 H new ATOM 0 HB3 GLN A 38 15.228 4.997 -13.361 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.597 6.340 -15.122 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.882 7.500 -14.851 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.636 3.973 -15.589 1.00 0.00 H new ATOM 0 HE22 GLN A 38 16.815 3.998 -16.904 1.00 0.00 H new ATOM 584 N ASN A 39 13.611 7.646 -12.968 1.00 0.00 N ATOM 585 CA ASN A 39 12.628 8.653 -13.352 1.00 0.00 C ATOM 586 C ASN A 39 12.479 9.711 -12.262 1.00 0.00 C ATOM 587 O ASN A 39 12.854 10.867 -12.450 1.00 0.00 O ATOM 588 CB ASN A 39 11.274 7.995 -13.627 1.00 0.00 C ATOM 589 CG ASN A 39 10.366 8.871 -14.467 1.00 0.00 C ATOM 590 OD1 ASN A 39 10.827 9.776 -15.163 1.00 0.00 O ATOM 591 ND2 ASN A 39 9.066 8.605 -14.406 1.00 0.00 N ATOM 0 H ASN A 39 13.235 6.703 -12.874 1.00 0.00 H new ATOM 0 HA ASN A 39 12.980 9.140 -14.261 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.432 7.045 -14.138 1.00 0.00 H new ATOM 0 HB3 ASN A 39 10.783 7.770 -12.680 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.406 9.161 -14.950 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.728 7.845 -13.816 1.00 0.00 H new ATOM 598 N GLY A 40 11.931 9.305 -11.121 1.00 0.00 N ATOM 599 CA GLY A 40 11.743 10.229 -10.018 1.00 0.00 C ATOM 600 C GLY A 40 10.340 10.172 -9.446 1.00 0.00 C ATOM 601 O GLY A 40 9.464 9.506 -9.997 1.00 0.00 O ATOM 0 H GLY A 40 11.614 8.352 -10.941 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.462 10.002 -9.231 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.952 11.243 -10.358 1.00 0.00 H new ATOM 605 N GLY A 41 10.126 10.871 -8.336 1.00 0.00 N ATOM 606 CA GLY A 41 8.818 10.882 -7.707 1.00 0.00 C ATOM 607 C GLY A 41 8.900 11.049 -6.202 1.00 0.00 C ATOM 608 O GLY A 41 9.918 11.499 -5.674 1.00 0.00 O ATOM 0 H GLY A 41 10.835 11.430 -7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.223 11.692 -8.128 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.299 9.952 -7.939 1.00 0.00 H new ATOM 612 N LYS A 42 7.826 10.688 -5.509 1.00 0.00 N ATOM 613 CA LYS A 42 7.779 10.800 -4.056 1.00 0.00 C ATOM 614 C LYS A 42 8.542 9.655 -3.397 1.00 0.00 C ATOM 615 O LYS A 42 8.388 8.487 -3.756 1.00 0.00 O ATOM 616 CB LYS A 42 6.328 10.806 -3.571 1.00 0.00 C ATOM 617 CG LYS A 42 5.588 12.096 -3.880 1.00 0.00 C ATOM 618 CD LYS A 42 4.899 12.034 -5.233 1.00 0.00 C ATOM 619 CE LYS A 42 4.697 13.423 -5.819 1.00 0.00 C ATOM 620 NZ LYS A 42 3.415 14.034 -5.369 1.00 0.00 N ATOM 0 H LYS A 42 6.975 10.315 -5.930 1.00 0.00 H new ATOM 0 HA LYS A 42 8.254 11.740 -3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.797 9.973 -4.031 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.313 10.638 -2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.848 12.287 -3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.289 12.931 -3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.495 11.432 -5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.934 11.538 -5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.528 14.065 -5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.709 13.363 -6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.315 14.980 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.620 13.435 -5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.414 14.115 -4.332 1.00 0.00 H new ATOM 634 N PRO A 43 9.383 9.995 -2.409 1.00 0.00 N ATOM 635 CA PRO A 43 10.184 9.009 -1.678 1.00 0.00 C ATOM 636 C PRO A 43 9.331 8.120 -0.779 1.00 0.00 C ATOM 637 O PRO A 43 9.852 7.275 -0.051 1.00 0.00 O ATOM 638 CB PRO A 43 11.128 9.872 -0.836 1.00 0.00 C ATOM 639 CG PRO A 43 10.407 11.165 -0.666 1.00 0.00 C ATOM 640 CD PRO A 43 9.616 11.367 -1.929 1.00 0.00 C ATOM 0 HA PRO A 43 10.698 8.323 -2.351 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.338 9.406 0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.086 10.015 -1.336 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.752 11.135 0.204 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.108 11.985 -0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.679 11.890 -1.737 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.168 11.960 -2.658 1.00 0.00 H new ATOM 648 N TYR A 44 8.019 8.316 -0.835 1.00 0.00 N ATOM 649 CA TYR A 44 7.094 7.533 -0.025 1.00 0.00 C ATOM 650 C TYR A 44 5.972 6.956 -0.882 1.00 0.00 C ATOM 651 O TYR A 44 5.760 7.382 -2.019 1.00 0.00 O ATOM 652 CB TYR A 44 6.504 8.397 1.092 1.00 0.00 C ATOM 653 CG TYR A 44 5.573 9.478 0.593 1.00 0.00 C ATOM 654 CD1 TYR A 44 6.070 10.625 -0.014 1.00 0.00 C ATOM 655 CD2 TYR A 44 4.196 9.353 0.727 1.00 0.00 C ATOM 656 CE1 TYR A 44 5.223 11.616 -0.470 1.00 0.00 C ATOM 657 CE2 TYR A 44 3.341 10.339 0.272 1.00 0.00 C ATOM 658 CZ TYR A 44 3.859 11.468 -0.325 1.00 0.00 C ATOM 659 OH TYR A 44 3.012 12.453 -0.780 1.00 0.00 O ATOM 0 H TYR A 44 7.572 9.011 -1.433 1.00 0.00 H new ATOM 0 HA TYR A 44 7.650 6.707 0.418 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.963 7.756 1.788 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.318 8.859 1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.137 10.744 -0.131 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.786 8.470 1.195 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.626 12.502 -0.938 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.273 10.225 0.384 1.00 0.00 H new ATOM 0 HH TYR A 44 2.084 12.194 -0.602 1.00 0.00 H new ATOM 669 N LEU A 45 5.254 5.983 -0.330 1.00 0.00 N ATOM 670 CA LEU A 45 4.152 5.346 -1.043 1.00 0.00 C ATOM 671 C LEU A 45 2.894 5.312 -0.181 1.00 0.00 C ATOM 672 O LEU A 45 2.928 4.868 0.967 1.00 0.00 O ATOM 673 CB LEU A 45 4.540 3.926 -1.456 1.00 0.00 C ATOM 674 CG LEU A 45 3.604 3.237 -2.450 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.805 3.797 -3.849 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.828 1.732 -2.439 1.00 0.00 C ATOM 0 H LEU A 45 5.415 5.618 0.609 1.00 0.00 H new ATOM 0 HA LEU A 45 3.942 5.933 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.540 3.955 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.600 3.311 -0.558 1.00 0.00 H new ATOM 0 HG LEU A 45 2.576 3.433 -2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.131 3.295 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.593 4.866 -3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.836 3.632 -4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.153 1.259 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.860 1.516 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.632 1.342 -1.440 1.00 0.00 H new ATOM 688 N SER A 46 1.785 5.781 -0.743 1.00 0.00 N ATOM 689 CA SER A 46 0.516 5.805 -0.025 1.00 0.00 C ATOM 690 C SER A 46 -0.195 4.459 -0.134 1.00 0.00 C ATOM 691 O SER A 46 -0.418 3.949 -1.232 1.00 0.00 O ATOM 692 CB SER A 46 -0.383 6.915 -0.573 1.00 0.00 C ATOM 693 OG SER A 46 0.082 8.192 -0.171 1.00 0.00 O ATOM 0 H SER A 46 1.739 6.149 -1.693 1.00 0.00 H new ATOM 0 HA SER A 46 0.725 6.002 1.026 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.411 6.861 -1.661 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.404 6.768 -0.220 1.00 0.00 H new ATOM 0 HG SER A 46 -0.508 8.885 -0.535 1.00 0.00 H new ATOM 699 N VAL A 47 -0.549 3.890 1.014 1.00 0.00 N ATOM 700 CA VAL A 47 -1.236 2.604 1.050 1.00 0.00 C ATOM 701 C VAL A 47 -2.533 2.696 1.845 1.00 0.00 C ATOM 702 O VAL A 47 -2.555 3.227 2.956 1.00 0.00 O ATOM 703 CB VAL A 47 -0.346 1.509 1.666 1.00 0.00 C ATOM 704 CG1 VAL A 47 -1.123 0.210 1.816 1.00 0.00 C ATOM 705 CG2 VAL A 47 0.902 1.299 0.820 1.00 0.00 C ATOM 0 H VAL A 47 -0.371 4.299 1.931 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.464 2.338 0.018 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.034 1.834 2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.477 -0.552 2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.983 0.373 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.467 -0.124 0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.520 0.522 1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.613 0.996 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.468 2.229 0.770 1.00 0.00 H new ATOM 715 N ILE A 48 -3.612 2.176 1.270 1.00 0.00 N ATOM 716 CA ILE A 48 -4.913 2.198 1.926 1.00 0.00 C ATOM 717 C ILE A 48 -5.440 0.785 2.150 1.00 0.00 C ATOM 718 O ILE A 48 -5.804 0.088 1.203 1.00 0.00 O ATOM 719 CB ILE A 48 -5.945 2.994 1.105 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.483 4.442 0.931 1.00 0.00 C ATOM 721 CG2 ILE A 48 -7.309 2.944 1.776 1.00 0.00 C ATOM 722 CD1 ILE A 48 -6.423 5.279 0.091 1.00 0.00 C ATOM 0 H ILE A 48 -3.611 1.734 0.351 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.771 2.688 2.889 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.031 2.539 0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.379 4.902 1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.495 4.447 0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.027 3.511 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.639 1.908 1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.240 3.377 2.774 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.033 6.294 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.508 4.842 -0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.406 5.305 0.561 1.00 0.00 H new ATOM 734 N THR A 49 -5.480 0.367 3.412 1.00 0.00 N ATOM 735 CA THR A 49 -5.963 -0.963 3.762 1.00 0.00 C ATOM 736 C THR A 49 -7.449 -0.937 4.100 1.00 0.00 C ATOM 737 O THR A 49 -8.205 -1.814 3.685 1.00 0.00 O ATOM 738 CB THR A 49 -5.186 -1.546 4.957 1.00 0.00 C ATOM 739 OG1 THR A 49 -5.248 -0.644 6.068 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.733 -1.802 4.586 1.00 0.00 C ATOM 0 H THR A 49 -5.183 0.931 4.209 1.00 0.00 H new ATOM 0 HA THR A 49 -5.803 -1.597 2.890 1.00 0.00 H new ATOM 0 HB THR A 49 -5.646 -2.495 5.233 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.341 -0.369 6.317 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.205 -2.214 5.446 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.688 -2.511 3.759 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.263 -0.865 4.286 1.00 0.00 H new ATOM 885 N ARG A 61 -7.790 -7.972 8.284 1.00 0.00 N ATOM 886 CA ARG A 61 -6.641 -8.869 8.313 1.00 0.00 C ATOM 887 C ARG A 61 -5.592 -8.443 7.290 1.00 0.00 C ATOM 888 O ARG A 61 -4.578 -9.117 7.108 1.00 0.00 O ATOM 889 CB ARG A 61 -7.082 -10.308 8.038 1.00 0.00 C ATOM 890 CG ARG A 61 -6.034 -11.347 8.400 1.00 0.00 C ATOM 891 CD ARG A 61 -6.603 -12.756 8.344 1.00 0.00 C ATOM 892 NE ARG A 61 -6.827 -13.202 6.972 1.00 0.00 N ATOM 893 CZ ARG A 61 -7.950 -12.977 6.299 1.00 0.00 C ATOM 894 NH1 ARG A 61 -8.947 -12.315 6.870 1.00 0.00 N ATOM 895 NH2 ARG A 61 -8.078 -13.415 5.053 1.00 0.00 N ATOM 0 HA ARG A 61 -6.197 -8.816 9.307 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.993 -10.513 8.600 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.330 -10.407 6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.189 -11.267 7.716 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.653 -11.147 9.401 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.919 -13.443 8.841 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.543 -12.789 8.894 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.080 -13.715 6.504 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.853 -11.977 7.828 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.808 -12.143 6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.314 -13.925 4.611 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.941 -13.241 4.538 1.00 0.00 H new ATOM 909 N ILE A 62 -5.845 -7.321 6.624 1.00 0.00 N ATOM 910 CA ILE A 62 -4.923 -6.806 5.620 1.00 0.00 C ATOM 911 C ILE A 62 -3.803 -5.997 6.265 1.00 0.00 C ATOM 912 O ILE A 62 -2.634 -6.380 6.211 1.00 0.00 O ATOM 913 CB ILE A 62 -5.650 -5.922 4.588 1.00 0.00 C ATOM 914 CG1 ILE A 62 -6.677 -6.748 3.811 1.00 0.00 C ATOM 915 CG2 ILE A 62 -4.648 -5.283 3.639 1.00 0.00 C ATOM 916 CD1 ILE A 62 -7.510 -5.928 2.851 1.00 0.00 C ATOM 0 H ILE A 62 -6.680 -6.752 6.762 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.497 -7.670 5.111 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.176 -5.128 5.117 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.158 -7.528 3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.339 -7.248 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.177 -4.662 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.951 -4.666 4.207 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.097 -6.063 3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.216 -6.578 2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.057 -5.165 3.404 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.858 -5.449 2.121 1.00 0.00 H new ATOM 928 N LYS A 63 -4.168 -4.876 6.878 1.00 0.00 N ATOM 929 CA LYS A 63 -3.195 -4.013 7.538 1.00 0.00 C ATOM 930 C LYS A 63 -2.277 -4.823 8.446 1.00 0.00 C ATOM 931 O LYS A 63 -1.052 -4.704 8.397 1.00 0.00 O ATOM 932 CB LYS A 63 -3.911 -2.932 8.351 1.00 0.00 C ATOM 933 CG LYS A 63 -3.153 -2.507 9.597 1.00 0.00 C ATOM 934 CD LYS A 63 -3.683 -3.206 10.838 1.00 0.00 C ATOM 935 CE LYS A 63 -3.374 -2.413 12.099 1.00 0.00 C ATOM 936 NZ LYS A 63 -4.152 -2.906 13.269 1.00 0.00 N ATOM 0 H LYS A 63 -5.131 -4.544 6.932 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.587 -3.537 6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.071 -2.059 7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.895 -3.300 8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.094 -2.734 9.475 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.235 -1.427 9.723 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.761 -3.343 10.748 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.241 -4.199 10.914 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.308 -2.479 12.318 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.600 -1.360 11.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.913 -2.340 14.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.169 -2.819 13.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.918 -3.904 13.446 1.00 0.00 H new ATOM 950 N PRO A 64 -2.879 -5.668 9.296 1.00 0.00 N ATOM 951 CA PRO A 64 -2.133 -6.517 10.230 1.00 0.00 C ATOM 952 C PRO A 64 -0.983 -7.253 9.553 1.00 0.00 C ATOM 953 O PRO A 64 0.179 -7.084 9.923 1.00 0.00 O ATOM 954 CB PRO A 64 -3.187 -7.511 10.726 1.00 0.00 C ATOM 955 CG PRO A 64 -4.484 -6.795 10.571 1.00 0.00 C ATOM 956 CD PRO A 64 -4.334 -5.861 9.410 1.00 0.00 C ATOM 0 HA PRO A 64 -1.668 -5.936 11.026 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.170 -8.431 10.141 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -3.010 -7.790 11.765 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.295 -7.501 10.395 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.731 -6.245 11.479 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.753 -6.287 8.498 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.849 -4.917 9.587 1.00 0.00 H new ATOM 964 N ALA A 65 -1.313 -8.071 8.559 1.00 0.00 N ATOM 965 CA ALA A 65 -0.307 -8.832 7.828 1.00 0.00 C ATOM 966 C ALA A 65 0.804 -7.921 7.315 1.00 0.00 C ATOM 967 O ALA A 65 1.985 -8.171 7.555 1.00 0.00 O ATOM 968 CB ALA A 65 -0.950 -9.585 6.673 1.00 0.00 C ATOM 0 H ALA A 65 -2.270 -8.224 8.241 1.00 0.00 H new ATOM 0 HA ALA A 65 0.137 -9.553 8.514 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.187 -10.149 6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.703 -10.271 7.060 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.422 -8.875 5.994 1.00 0.00 H new ATOM 974 N VAL A 66 0.417 -6.865 6.607 1.00 0.00 N ATOM 975 CA VAL A 66 1.380 -5.917 6.061 1.00 0.00 C ATOM 976 C VAL A 66 2.428 -5.536 7.101 1.00 0.00 C ATOM 977 O VAL A 66 3.628 -5.554 6.823 1.00 0.00 O ATOM 978 CB VAL A 66 0.685 -4.638 5.557 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.714 -3.614 5.103 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.284 -4.967 4.431 1.00 0.00 C ATOM 0 H VAL A 66 -0.557 -6.645 6.398 1.00 0.00 H new ATOM 0 HA VAL A 66 1.869 -6.412 5.221 1.00 0.00 H new ATOM 0 HB VAL A 66 0.117 -4.206 6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.204 -2.717 4.750 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.364 -3.357 5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.312 -4.033 4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.766 -4.052 4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.260 -5.423 3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.041 -5.662 4.794 1.00 0.00 H new ATOM 990 N ILE A 67 1.967 -5.194 8.299 1.00 0.00 N ATOM 991 CA ILE A 67 2.865 -4.811 9.381 1.00 0.00 C ATOM 992 C ILE A 67 3.907 -5.894 9.640 1.00 0.00 C ATOM 993 O ILE A 67 5.084 -5.600 9.851 1.00 0.00 O ATOM 994 CB ILE A 67 2.091 -4.537 10.684 1.00 0.00 C ATOM 995 CG1 ILE A 67 1.085 -3.403 10.477 1.00 0.00 C ATOM 996 CG2 ILE A 67 3.055 -4.197 11.811 1.00 0.00 C ATOM 997 CD1 ILE A 67 0.294 -3.062 11.720 1.00 0.00 C ATOM 0 H ILE A 67 0.977 -5.174 8.545 1.00 0.00 H new ATOM 0 HA ILE A 67 3.366 -3.896 9.066 1.00 0.00 H new ATOM 0 HB ILE A 67 1.543 -5.438 10.960 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.617 -2.514 10.139 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.394 -3.682 9.682 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.493 -4.006 12.725 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.736 -5.033 11.972 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.627 -3.308 11.545 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.399 -2.250 11.499 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.266 -3.938 12.047 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.976 -2.751 12.512 1.00 0.00 H new ATOM 1009 N LYS A 68 3.467 -7.147 9.621 1.00 0.00 N ATOM 1010 CA LYS A 68 4.361 -8.276 9.851 1.00 0.00 C ATOM 1011 C LYS A 68 5.415 -8.367 8.752 1.00 0.00 C ATOM 1012 O LYS A 68 6.591 -8.610 9.025 1.00 0.00 O ATOM 1013 CB LYS A 68 3.563 -9.580 9.916 1.00 0.00 C ATOM 1014 CG LYS A 68 4.279 -10.695 10.658 1.00 0.00 C ATOM 1015 CD LYS A 68 3.299 -11.712 11.218 1.00 0.00 C ATOM 1016 CE LYS A 68 3.892 -12.466 12.398 1.00 0.00 C ATOM 1017 NZ LYS A 68 5.043 -13.319 11.990 1.00 0.00 N ATOM 0 H LYS A 68 2.496 -7.407 9.449 1.00 0.00 H new ATOM 0 HA LYS A 68 4.867 -8.119 10.804 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.607 -9.387 10.402 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.343 -9.913 8.902 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.976 -11.193 9.984 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.869 -10.272 11.471 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.386 -11.205 11.530 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.020 -12.419 10.436 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.218 -11.755 13.157 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.123 -13.089 12.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.419 -13.816 12.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.727 -14.015 11.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.788 -12.722 11.577 1.00 0.00 H new ATOM 1031 N TYR A 69 4.988 -8.169 7.510 1.00 0.00 N ATOM 1032 CA TYR A 69 5.895 -8.230 6.371 1.00 0.00 C ATOM 1033 C TYR A 69 6.875 -7.061 6.392 1.00 0.00 C ATOM 1034 O TYR A 69 8.068 -7.230 6.134 1.00 0.00 O ATOM 1035 CB TYR A 69 5.104 -8.223 5.061 1.00 0.00 C ATOM 1036 CG TYR A 69 5.977 -8.193 3.827 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.540 -7.004 3.379 1.00 0.00 C ATOM 1038 CD2 TYR A 69 6.238 -9.353 3.109 1.00 0.00 C ATOM 1039 CE1 TYR A 69 7.338 -6.972 2.252 1.00 0.00 C ATOM 1040 CE2 TYR A 69 7.035 -9.330 1.981 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.582 -8.138 1.556 1.00 0.00 C ATOM 1042 OH TYR A 69 8.377 -8.110 0.433 1.00 0.00 O ATOM 0 H TYR A 69 4.019 -7.965 7.267 1.00 0.00 H new ATOM 0 HA TYR A 69 6.462 -9.158 6.440 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.469 -9.108 5.025 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.443 -7.356 5.050 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.350 -6.089 3.921 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.811 -10.289 3.438 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.768 -6.040 1.918 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.229 -10.241 1.435 1.00 0.00 H new ATOM 0 HH TYR A 69 8.450 -9.014 0.061 1.00 0.00 H new ATOM 1052 N LEU A 70 6.364 -5.874 6.701 1.00 0.00 N ATOM 1053 CA LEU A 70 7.193 -4.675 6.757 1.00 0.00 C ATOM 1054 C LEU A 70 8.361 -4.866 7.720 1.00 0.00 C ATOM 1055 O LEU A 70 9.524 -4.812 7.318 1.00 0.00 O ATOM 1056 CB LEU A 70 6.354 -3.471 7.187 1.00 0.00 C ATOM 1057 CG LEU A 70 5.347 -2.953 6.160 1.00 0.00 C ATOM 1058 CD1 LEU A 70 4.408 -1.940 6.796 1.00 0.00 C ATOM 1059 CD2 LEU A 70 6.068 -2.340 4.968 1.00 0.00 C ATOM 0 H LEU A 70 5.380 -5.716 6.917 1.00 0.00 H new ATOM 0 HA LEU A 70 7.594 -4.493 5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.813 -3.737 8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.030 -2.656 7.446 1.00 0.00 H new ATOM 0 HG LEU A 70 4.753 -3.795 5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.699 -1.583 6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.866 -2.411 7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.986 -1.099 7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.336 -1.977 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.688 -1.509 5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.698 -3.094 4.496 1.00 0.00 H new ATOM 1071 N ILE A 71 8.043 -5.089 8.990 1.00 0.00 N ATOM 1072 CA ILE A 71 9.066 -5.291 10.009 1.00 0.00 C ATOM 1073 C ILE A 71 10.061 -6.366 9.584 1.00 0.00 C ATOM 1074 O ILE A 71 11.270 -6.206 9.745 1.00 0.00 O ATOM 1075 CB ILE A 71 8.444 -5.688 11.361 1.00 0.00 C ATOM 1076 CG1 ILE A 71 7.495 -4.593 11.852 1.00 0.00 C ATOM 1077 CG2 ILE A 71 9.535 -5.951 12.388 1.00 0.00 C ATOM 1078 CD1 ILE A 71 6.576 -5.044 12.965 1.00 0.00 C ATOM 0 H ILE A 71 7.085 -5.134 9.338 1.00 0.00 H new ATOM 0 HA ILE A 71 9.588 -4.341 10.124 1.00 0.00 H new ATOM 0 HB ILE A 71 7.870 -6.605 11.226 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.083 -3.743 12.199 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.893 -4.243 11.014 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.080 -6.230 13.338 1.00 0.00 H new ATOM 0 HG22 ILE A 71 10.175 -6.762 12.040 1.00 0.00 H new ATOM 0 HG23 ILE A 71 10.133 -5.049 12.523 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.932 -4.217 13.263 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.962 -5.874 12.616 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.171 -5.367 13.820 1.00 0.00 H new ATOM 1090 N SER A 72 9.542 -7.462 9.039 1.00 0.00 N ATOM 1091 CA SER A 72 10.384 -8.565 8.592 1.00 0.00 C ATOM 1092 C SER A 72 11.520 -8.058 7.708 1.00 0.00 C ATOM 1093 O SER A 72 12.649 -8.545 7.788 1.00 0.00 O ATOM 1094 CB SER A 72 9.549 -9.595 7.827 1.00 0.00 C ATOM 1095 OG SER A 72 8.788 -10.394 8.716 1.00 0.00 O ATOM 0 H SER A 72 8.543 -7.609 8.897 1.00 0.00 H new ATOM 0 HA SER A 72 10.816 -9.040 9.473 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.883 -9.084 7.131 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.205 -10.231 7.232 1.00 0.00 H new ATOM 0 HG SER A 72 7.952 -9.933 8.936 1.00 0.00 H new ATOM 1101 N HIS A 73 11.214 -7.077 6.866 1.00 0.00 N ATOM 1102 CA HIS A 73 12.208 -6.503 5.967 1.00 0.00 C ATOM 1103 C HIS A 73 12.733 -5.178 6.513 1.00 0.00 C ATOM 1104 O HIS A 73 13.597 -4.545 5.906 1.00 0.00 O ATOM 1105 CB HIS A 73 11.609 -6.293 4.576 1.00 0.00 C ATOM 1106 CG HIS A 73 11.771 -7.474 3.669 1.00 0.00 C ATOM 1107 ND1 HIS A 73 10.858 -7.802 2.690 1.00 0.00 N ATOM 1108 CD2 HIS A 73 12.750 -8.406 3.597 1.00 0.00 C ATOM 1109 CE1 HIS A 73 11.267 -8.886 2.055 1.00 0.00 C ATOM 1110 NE2 HIS A 73 12.413 -9.273 2.586 1.00 0.00 N ATOM 0 H HIS A 73 10.285 -6.663 6.787 1.00 0.00 H new ATOM 0 HA HIS A 73 13.041 -7.202 5.893 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.548 -6.066 4.677 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.078 -5.424 4.115 1.00 0.00 H new ATOM 0 HD1 HIS A 73 10.001 -7.288 2.487 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.632 -8.458 4.218 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.752 -9.373 1.240 1.00 0.00 H new ATOM 1118 N SER A 74 12.205 -4.765 7.660 1.00 0.00 N ATOM 1119 CA SER A 74 12.617 -3.514 8.285 1.00 0.00 C ATOM 1120 C SER A 74 12.178 -2.317 7.446 1.00 0.00 C ATOM 1121 O SER A 74 12.953 -1.390 7.213 1.00 0.00 O ATOM 1122 CB SER A 74 14.135 -3.489 8.474 1.00 0.00 C ATOM 1123 OG SER A 74 14.529 -2.402 9.294 1.00 0.00 O ATOM 0 H SER A 74 11.491 -5.279 8.176 1.00 0.00 H new ATOM 0 HA SER A 74 12.135 -3.448 9.261 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.464 -4.426 8.924 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.624 -3.412 7.503 1.00 0.00 H new ATOM 0 HG SER A 74 14.171 -1.568 8.925 1.00 0.00 H new ATOM 1129 N PHE A 75 10.928 -2.346 6.995 1.00 0.00 N ATOM 1130 CA PHE A 75 10.384 -1.265 6.181 1.00 0.00 C ATOM 1131 C PHE A 75 9.907 -0.111 7.058 1.00 0.00 C ATOM 1132 O PHE A 75 9.118 -0.304 7.983 1.00 0.00 O ATOM 1133 CB PHE A 75 9.228 -1.778 5.321 1.00 0.00 C ATOM 1134 CG PHE A 75 9.662 -2.295 3.979 1.00 0.00 C ATOM 1135 CD1 PHE A 75 9.940 -1.420 2.942 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.793 -3.656 3.756 1.00 0.00 C ATOM 1137 CE1 PHE A 75 10.339 -1.893 1.706 1.00 0.00 C ATOM 1138 CE2 PHE A 75 10.192 -4.136 2.522 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.466 -3.253 1.496 1.00 0.00 C ATOM 0 H PHE A 75 10.273 -3.106 7.179 1.00 0.00 H new ATOM 0 HA PHE A 75 11.178 -0.899 5.530 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.711 -2.573 5.858 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.509 -0.972 5.176 1.00 0.00 H new ATOM 0 HD1 PHE A 75 9.844 -0.356 3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.581 -4.350 4.555 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.551 -1.200 0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.289 -5.199 2.361 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.779 -3.625 0.531 1.00 0.00 H new ATOM 1149 N ARG A 76 10.394 1.090 6.761 1.00 0.00 N ATOM 1150 CA ARG A 76 10.019 2.276 7.522 1.00 0.00 C ATOM 1151 C ARG A 76 8.598 2.715 7.181 1.00 0.00 C ATOM 1152 O ARG A 76 8.218 2.768 6.011 1.00 0.00 O ATOM 1153 CB ARG A 76 10.998 3.417 7.243 1.00 0.00 C ATOM 1154 CG ARG A 76 11.076 4.442 8.363 1.00 0.00 C ATOM 1155 CD ARG A 76 12.121 4.057 9.398 1.00 0.00 C ATOM 1156 NE ARG A 76 11.686 2.936 10.227 1.00 0.00 N ATOM 1157 CZ ARG A 76 12.522 2.133 10.874 1.00 0.00 C ATOM 1158 NH1 ARG A 76 13.831 2.325 10.790 1.00 0.00 N ATOM 1159 NH2 ARG A 76 12.049 1.134 11.608 1.00 0.00 N ATOM 0 H ARG A 76 11.049 1.267 5.999 1.00 0.00 H new ATOM 0 HA ARG A 76 10.058 2.024 8.582 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.991 2.999 7.075 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.703 3.920 6.322 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.318 5.420 7.947 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.102 4.532 8.844 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.051 3.795 8.893 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.335 4.916 10.034 1.00 0.00 H new ATOM 0 HE ARG A 76 10.685 2.760 10.314 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.199 3.092 10.227 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.470 1.706 11.289 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.043 0.983 11.675 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.692 0.517 12.105 1.00 0.00 H new ATOM 1173 N PHE A 77 7.818 3.028 8.210 1.00 0.00 N ATOM 1174 CA PHE A 77 6.439 3.461 8.020 1.00 0.00 C ATOM 1175 C PHE A 77 5.890 4.104 9.290 1.00 0.00 C ATOM 1176 O PHE A 77 6.450 3.938 10.374 1.00 0.00 O ATOM 1177 CB PHE A 77 5.561 2.275 7.615 1.00 0.00 C ATOM 1178 CG PHE A 77 5.346 1.283 8.721 1.00 0.00 C ATOM 1179 CD1 PHE A 77 6.422 0.640 9.312 1.00 0.00 C ATOM 1180 CD2 PHE A 77 4.068 0.993 9.171 1.00 0.00 C ATOM 1181 CE1 PHE A 77 6.228 -0.274 10.330 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.868 0.080 10.190 1.00 0.00 C ATOM 1183 CZ PHE A 77 4.949 -0.555 10.769 1.00 0.00 C ATOM 0 H PHE A 77 8.118 2.990 9.184 1.00 0.00 H new ATOM 0 HA PHE A 77 6.425 4.204 7.223 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.593 2.648 7.279 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.019 1.767 6.766 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.424 0.856 8.973 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.219 1.485 8.721 1.00 0.00 H new ATOM 0 HE1 PHE A 77 7.075 -0.768 10.782 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.867 -0.136 10.533 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.795 -1.270 11.564 1.00 0.00 H new ATOM 1193 N SER A 78 4.792 4.839 9.148 1.00 0.00 N ATOM 1194 CA SER A 78 4.170 5.511 10.282 1.00 0.00 C ATOM 1195 C SER A 78 2.664 5.646 10.074 1.00 0.00 C ATOM 1196 O SER A 78 2.213 6.214 9.080 1.00 0.00 O ATOM 1197 CB SER A 78 4.793 6.893 10.489 1.00 0.00 C ATOM 1198 OG SER A 78 6.023 6.798 11.188 1.00 0.00 O ATOM 0 H SER A 78 4.315 4.984 8.258 1.00 0.00 H new ATOM 0 HA SER A 78 4.344 4.905 11.171 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.956 7.370 9.523 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.103 7.527 11.045 1.00 0.00 H new ATOM 0 HG SER A 78 6.331 5.868 11.183 1.00 0.00 H new ATOM 1204 N GLU A 79 1.893 5.120 11.021 1.00 0.00 N ATOM 1205 CA GLU A 79 0.438 5.181 10.941 1.00 0.00 C ATOM 1206 C GLU A 79 -0.059 6.608 11.157 1.00 0.00 C ATOM 1207 O GLU A 79 -0.086 7.103 12.284 1.00 0.00 O ATOM 1208 CB GLU A 79 -0.191 4.248 11.977 1.00 0.00 C ATOM 1209 CG GLU A 79 -1.650 3.927 11.701 1.00 0.00 C ATOM 1210 CD GLU A 79 -2.151 2.746 12.509 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -1.966 2.752 13.744 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -2.728 1.816 11.908 1.00 0.00 O ATOM 0 H GLU A 79 2.251 4.648 11.851 1.00 0.00 H new ATOM 0 HA GLU A 79 0.140 4.858 9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.377 3.318 12.009 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.109 4.705 12.963 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.260 4.802 11.927 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.777 3.716 10.639 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.451 7.262 10.069 1.00 0.00 N ATOM 1220 CA ILE A 80 -0.948 8.631 10.139 1.00 0.00 C ATOM 1221 C ILE A 80 -2.471 8.659 10.222 1.00 0.00 C ATOM 1222 O ILE A 80 -3.056 9.586 10.782 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.495 9.457 8.921 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -1.009 8.822 7.627 1.00 0.00 C ATOM 1225 CG2 ILE A 80 1.021 9.574 8.895 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -1.065 9.785 6.462 1.00 0.00 C ATOM 0 H ILE A 80 -0.434 6.867 9.129 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.529 9.074 11.043 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.915 10.459 9.003 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.366 7.983 7.363 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.006 8.417 7.802 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.326 10.161 8.028 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.364 10.066 9.805 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.462 8.579 8.833 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.438 9.266 5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.731 10.613 6.706 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.066 10.171 6.261 1.00 0.00 H new ATOM 1238 N LYS A 81 -3.107 7.637 9.660 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.562 7.542 9.672 1.00 0.00 C ATOM 1240 C LYS A 81 -5.013 6.145 10.087 1.00 0.00 C ATOM 1241 O LYS A 81 -4.301 5.157 9.904 1.00 0.00 O ATOM 1242 CB LYS A 81 -5.127 7.882 8.291 1.00 0.00 C ATOM 1243 CG LYS A 81 -4.664 9.227 7.759 1.00 0.00 C ATOM 1244 CD LYS A 81 -5.624 10.340 8.145 1.00 0.00 C ATOM 1245 CE LYS A 81 -5.635 11.452 7.108 1.00 0.00 C ATOM 1246 NZ LYS A 81 -6.871 12.278 7.193 1.00 0.00 N ATOM 0 H LYS A 81 -2.638 6.863 9.190 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.942 8.259 10.400 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.836 7.103 7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.216 7.876 8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.671 9.451 8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.578 9.180 6.673 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.629 9.933 8.254 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.338 10.748 9.114 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.762 12.089 7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.555 11.019 6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.840 13.025 6.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.703 11.675 7.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.934 12.712 8.136 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.223 6.058 10.660 1.00 0.00 N ATOM 1261 CA PRO A 82 -6.796 4.786 11.111 1.00 0.00 C ATOM 1262 C PRO A 82 -7.172 3.875 9.947 1.00 0.00 C ATOM 1263 O PRO A 82 -7.733 2.798 10.146 1.00 0.00 O ATOM 1264 CB PRO A 82 -8.047 5.214 11.881 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.419 6.533 11.297 1.00 0.00 C ATOM 1266 CD PRO A 82 -7.125 7.194 10.910 1.00 0.00 C ATOM 0 HA PRO A 82 -6.089 4.209 11.707 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.852 4.488 11.764 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.845 5.297 12.949 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -9.067 6.407 10.430 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -8.966 7.139 12.019 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.242 7.817 10.023 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.749 7.838 11.705 1.00 0.00 H new ATOM 1274 N GLY A 83 -6.858 4.314 8.732 1.00 0.00 N ATOM 1275 CA GLY A 83 -7.171 3.525 7.555 1.00 0.00 C ATOM 1276 C GLY A 83 -6.185 3.752 6.426 1.00 0.00 C ATOM 1277 O GLY A 83 -6.503 3.518 5.259 1.00 0.00 O ATOM 0 H GLY A 83 -6.393 5.202 8.542 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.177 2.468 7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.175 3.773 7.212 1.00 0.00 H new ATOM 1281 N CYS A 84 -4.987 4.210 6.772 1.00 0.00 N ATOM 1282 CA CYS A 84 -3.952 4.471 5.779 1.00 0.00 C ATOM 1283 C CYS A 84 -2.566 4.188 6.350 1.00 0.00 C ATOM 1284 O CYS A 84 -2.253 4.586 7.473 1.00 0.00 O ATOM 1285 CB CYS A 84 -4.033 5.920 5.297 1.00 0.00 C ATOM 1286 SG CYS A 84 -3.499 6.160 3.586 1.00 0.00 S ATOM 0 H CYS A 84 -4.709 4.408 7.733 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.119 3.804 4.933 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.061 6.268 5.398 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.420 6.543 5.948 1.00 0.00 H new ATOM 0 HG CYS A 84 -3.053 5.036 3.109 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.741 3.498 5.571 1.00 0.00 N ATOM 1293 CA LEU A 85 -0.388 3.160 6.000 1.00 0.00 C ATOM 1294 C LEU A 85 0.650 3.889 5.153 1.00 0.00 C ATOM 1295 O LEU A 85 0.676 3.753 3.930 1.00 0.00 O ATOM 1296 CB LEU A 85 -0.166 1.649 5.910 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.655 0.826 7.103 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.424 -0.657 6.859 1.00 0.00 C ATOM 1299 CD2 LEU A 85 0.042 1.273 8.380 1.00 0.00 C ATOM 0 H LEU A 85 -1.985 3.162 4.639 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.272 3.477 7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.664 1.282 5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.901 1.466 5.781 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.726 0.991 7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.778 -1.227 7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.969 -0.968 5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.641 -0.841 6.716 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.318 0.677 9.219 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.118 1.137 8.274 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.175 2.325 8.563 1.00 0.00 H new ATOM 1311 N LYS A 86 1.506 4.663 5.812 1.00 0.00 N ATOM 1312 CA LYS A 86 2.549 5.412 5.122 1.00 0.00 C ATOM 1313 C LYS A 86 3.881 4.670 5.180 1.00 0.00 C ATOM 1314 O LYS A 86 4.518 4.601 6.231 1.00 0.00 O ATOM 1315 CB LYS A 86 2.700 6.803 5.739 1.00 0.00 C ATOM 1316 CG LYS A 86 3.457 7.781 4.858 1.00 0.00 C ATOM 1317 CD LYS A 86 2.532 8.479 3.875 1.00 0.00 C ATOM 1318 CE LYS A 86 3.033 9.872 3.529 1.00 0.00 C ATOM 1319 NZ LYS A 86 2.503 10.901 4.466 1.00 0.00 N ATOM 0 H LYS A 86 1.498 4.788 6.824 1.00 0.00 H new ATOM 0 HA LYS A 86 2.256 5.515 4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.710 7.208 5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.217 6.713 6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.954 8.524 5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.237 7.251 4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.451 7.884 2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.531 8.547 4.301 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.123 9.883 3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.737 10.122 2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.868 11.837 4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.464 10.908 4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.807 10.677 5.435 1.00 0.00 H new ATOM 1333 N VAL A 87 4.296 4.118 4.045 1.00 0.00 N ATOM 1334 CA VAL A 87 5.553 3.384 3.967 1.00 0.00 C ATOM 1335 C VAL A 87 6.562 4.113 3.086 1.00 0.00 C ATOM 1336 O VAL A 87 6.365 4.244 1.879 1.00 0.00 O ATOM 1337 CB VAL A 87 5.340 1.962 3.415 1.00 0.00 C ATOM 1338 CG1 VAL A 87 6.660 1.208 3.357 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.323 1.209 4.261 1.00 0.00 C ATOM 0 H VAL A 87 3.780 4.165 3.166 1.00 0.00 H new ATOM 0 HA VAL A 87 5.943 3.317 4.983 1.00 0.00 H new ATOM 0 HB VAL A 87 4.949 2.040 2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.489 0.206 2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.354 1.739 2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.083 1.138 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.185 0.206 3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.683 1.140 5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.372 1.741 4.245 1.00 0.00 H new ATOM 1349 N MET A 88 7.642 4.585 3.700 1.00 0.00 N ATOM 1350 CA MET A 88 8.683 5.300 2.970 1.00 0.00 C ATOM 1351 C MET A 88 9.481 4.346 2.087 1.00 0.00 C ATOM 1352 O MET A 88 9.886 3.269 2.527 1.00 0.00 O ATOM 1353 CB MET A 88 9.620 6.014 3.946 1.00 0.00 C ATOM 1354 CG MET A 88 8.908 6.988 4.871 1.00 0.00 C ATOM 1355 SD MET A 88 8.321 8.460 4.010 1.00 0.00 S ATOM 1356 CE MET A 88 9.870 9.290 3.665 1.00 0.00 C ATOM 0 H MET A 88 7.819 4.486 4.700 1.00 0.00 H new ATOM 0 HA MET A 88 8.201 6.041 2.331 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.141 5.269 4.548 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.379 6.553 3.379 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.063 6.485 5.341 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.586 7.286 5.671 1.00 0.00 H new ATOM 0 HE1 MET A 88 9.679 10.342 3.451 1.00 0.00 H new ATOM 0 HE2 MET A 88 10.527 9.210 4.531 1.00 0.00 H new ATOM 0 HE3 MET A 88 10.348 8.825 2.803 1.00 0.00 H new ATOM 1366 N LEU A 89 9.703 4.747 0.840 1.00 0.00 N ATOM 1367 CA LEU A 89 10.453 3.928 -0.106 1.00 0.00 C ATOM 1368 C LEU A 89 11.933 3.892 0.259 1.00 0.00 C ATOM 1369 O LEU A 89 12.587 4.931 0.347 1.00 0.00 O ATOM 1370 CB LEU A 89 10.278 4.465 -1.527 1.00 0.00 C ATOM 1371 CG LEU A 89 8.902 4.258 -2.159 1.00 0.00 C ATOM 1372 CD1 LEU A 89 8.820 4.964 -3.504 1.00 0.00 C ATOM 1373 CD2 LEU A 89 8.605 2.773 -2.315 1.00 0.00 C ATOM 0 H LEU A 89 9.374 5.635 0.460 1.00 0.00 H new ATOM 0 HA LEU A 89 10.062 2.912 -0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.495 5.533 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 89 11.024 3.993 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 89 8.151 4.691 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.833 4.805 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.988 6.032 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.580 4.561 -4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.621 2.644 -2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.360 2.316 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.620 2.294 -1.336 1.00 0.00 H new