USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 568 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 62 ASN : amide:sc= -1.23 K(o=-1.2,f=-5.9!) USER MOD Set 1.2: A 66 MET CE :methyl 144:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -152:sc= -3.95 (180deg=-6.67!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -169:sc= 0.0253 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 105:sc= 0.366 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0718 X(o=-0.072,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.018) USER MOD Single : A 86 THR OG1 : rot -140:sc=0.000908 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -1.66 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N MET A 9 -11.459 12.006 -9.520 1.00 0.00 N ATOM 84 CA MET A 9 -10.873 12.070 -8.186 1.00 0.00 C ATOM 85 C MET A 9 -9.606 11.224 -8.109 1.00 0.00 C ATOM 86 O MET A 9 -9.361 10.376 -8.967 1.00 0.00 O ATOM 87 CB MET A 9 -11.882 11.596 -7.139 1.00 0.00 C ATOM 88 CG MET A 9 -13.125 12.466 -7.054 1.00 0.00 C ATOM 89 SD MET A 9 -13.982 12.302 -5.477 1.00 0.00 S ATOM 90 CE MET A 9 -13.377 13.749 -4.610 1.00 0.00 C ATOM 0 HA MET A 9 -10.609 13.108 -7.981 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.180 10.573 -7.370 1.00 0.00 H new ATOM 0 HB3 MET A 9 -11.397 11.574 -6.163 1.00 0.00 H new ATOM 0 HG2 MET A 9 -12.845 13.509 -7.204 1.00 0.00 H new ATOM 0 HG3 MET A 9 -13.806 12.200 -7.862 1.00 0.00 H new ATOM 0 HE1 MET A 9 -13.819 13.788 -3.614 1.00 0.00 H new ATOM 0 HE2 MET A 9 -12.292 13.694 -4.524 1.00 0.00 H new ATOM 0 HE3 MET A 9 -13.652 14.647 -5.164 1.00 0.00 H new ATOM 100 N ILE A 10 -8.804 11.461 -7.076 1.00 0.00 N ATOM 101 CA ILE A 10 -7.563 10.721 -6.887 1.00 0.00 C ATOM 102 C ILE A 10 -7.834 9.326 -6.333 1.00 0.00 C ATOM 103 O ILE A 10 -7.614 8.323 -7.013 1.00 0.00 O ATOM 104 CB ILE A 10 -6.605 11.461 -5.935 1.00 0.00 C ATOM 105 CG1 ILE A 10 -6.288 12.855 -6.479 1.00 0.00 C ATOM 106 CG2 ILE A 10 -5.326 10.659 -5.741 1.00 0.00 C ATOM 107 CD1 ILE A 10 -5.827 12.852 -7.920 1.00 0.00 C ATOM 0 H ILE A 10 -8.992 12.160 -6.357 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.094 10.636 -7.867 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.092 11.571 -4.966 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.176 13.481 -6.392 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.515 13.310 -5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.659 11.195 -5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.568 9.685 -5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.833 10.521 -6.704 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.620 13.874 -8.238 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.921 12.253 -8.011 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.607 12.426 -8.551 1.00 0.00 H new ATOM 119 N ARG A 11 -8.316 9.270 -5.096 1.00 0.00 N ATOM 120 CA ARG A 11 -8.618 7.998 -4.451 1.00 0.00 C ATOM 121 C ARG A 11 -9.169 6.994 -5.459 1.00 0.00 C ATOM 122 O ARG A 11 -8.683 5.867 -5.555 1.00 0.00 O ATOM 123 CB ARG A 11 -9.626 8.203 -3.318 1.00 0.00 C ATOM 124 CG ARG A 11 -10.909 8.886 -3.760 1.00 0.00 C ATOM 125 CD ARG A 11 -11.789 9.242 -2.572 1.00 0.00 C ATOM 126 NE ARG A 11 -13.120 9.676 -2.988 1.00 0.00 N ATOM 127 CZ ARG A 11 -14.182 9.656 -2.190 1.00 0.00 C ATOM 128 NH1 ARG A 11 -14.069 9.226 -0.941 1.00 0.00 N ATOM 129 NH2 ARG A 11 -15.360 10.068 -2.641 1.00 0.00 N ATOM 0 H ARG A 11 -8.506 10.090 -4.520 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.691 7.601 -4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.872 7.235 -2.882 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.160 8.797 -2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.667 9.790 -4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.457 8.230 -4.436 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.879 8.377 -1.915 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.314 10.034 -1.993 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.241 10.013 -3.943 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.165 8.909 -0.590 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.886 9.212 -0.331 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.451 10.400 -3.601 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.175 10.052 -2.028 1.00 0.00 H new ATOM 143 N GLU A 12 -10.185 7.411 -6.208 1.00 0.00 N ATOM 144 CA GLU A 12 -10.801 6.548 -7.208 1.00 0.00 C ATOM 145 C GLU A 12 -9.740 5.863 -8.065 1.00 0.00 C ATOM 146 O GLU A 12 -9.707 4.637 -8.168 1.00 0.00 O ATOM 147 CB GLU A 12 -11.748 7.356 -8.098 1.00 0.00 C ATOM 148 CG GLU A 12 -12.932 7.945 -7.351 1.00 0.00 C ATOM 149 CD GLU A 12 -13.974 8.536 -8.281 1.00 0.00 C ATOM 150 OE1 GLU A 12 -14.436 7.813 -9.189 1.00 0.00 O ATOM 151 OE2 GLU A 12 -14.327 9.720 -8.102 1.00 0.00 O ATOM 0 H GLU A 12 -10.599 8.341 -6.141 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.372 5.780 -6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.189 8.164 -8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.117 6.714 -8.898 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.394 7.169 -6.740 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.578 8.719 -6.669 1.00 0.00 H new ATOM 158 N ARG A 13 -8.875 6.665 -8.677 1.00 0.00 N ATOM 159 CA ARG A 13 -7.813 6.138 -9.526 1.00 0.00 C ATOM 160 C ARG A 13 -6.893 5.213 -8.734 1.00 0.00 C ATOM 161 O ARG A 13 -6.478 4.164 -9.228 1.00 0.00 O ATOM 162 CB ARG A 13 -7.002 7.283 -10.135 1.00 0.00 C ATOM 163 CG ARG A 13 -7.795 8.142 -11.106 1.00 0.00 C ATOM 164 CD ARG A 13 -7.076 9.447 -11.410 1.00 0.00 C ATOM 165 NE ARG A 13 -7.885 10.337 -12.239 1.00 0.00 N ATOM 166 CZ ARG A 13 -7.928 10.270 -13.565 1.00 0.00 C ATOM 167 NH1 ARG A 13 -7.212 9.359 -14.209 1.00 0.00 N ATOM 168 NH2 ARG A 13 -8.689 11.115 -14.249 1.00 0.00 N ATOM 0 H ARG A 13 -8.889 7.682 -8.601 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.275 5.563 -10.328 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.621 7.914 -9.332 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.137 6.869 -10.653 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.958 7.591 -12.032 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.778 8.356 -10.686 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.826 9.949 -10.476 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.136 9.233 -11.918 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.448 11.049 -11.774 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.626 8.708 -13.686 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.247 9.309 -15.227 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.242 11.817 -13.757 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.721 11.063 -15.267 1.00 0.00 H new ATOM 182 N ILE A 14 -6.579 5.609 -7.506 1.00 0.00 N ATOM 183 CA ILE A 14 -5.708 4.816 -6.647 1.00 0.00 C ATOM 184 C ILE A 14 -6.201 3.376 -6.545 1.00 0.00 C ATOM 185 O ILE A 14 -5.482 2.438 -6.889 1.00 0.00 O ATOM 186 CB ILE A 14 -5.615 5.416 -5.232 1.00 0.00 C ATOM 187 CG1 ILE A 14 -4.995 6.813 -5.286 1.00 0.00 C ATOM 188 CG2 ILE A 14 -4.803 4.505 -4.323 1.00 0.00 C ATOM 189 CD1 ILE A 14 -5.077 7.563 -3.975 1.00 0.00 C ATOM 0 H ILE A 14 -6.915 6.474 -7.083 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.718 4.828 -7.103 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.622 5.502 -4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.949 6.726 -5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.497 7.394 -6.060 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.746 4.943 -3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.283 3.528 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.797 4.391 -4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.618 8.545 -4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.122 7.682 -3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.550 7.003 -3.202 1.00 0.00 H new ATOM 201 N GLU A 15 -7.432 3.210 -6.072 1.00 0.00 N ATOM 202 CA GLU A 15 -8.021 1.883 -5.926 1.00 0.00 C ATOM 203 C GLU A 15 -8.150 1.193 -7.281 1.00 0.00 C ATOM 204 O GLU A 15 -7.650 0.086 -7.475 1.00 0.00 O ATOM 205 CB GLU A 15 -9.394 1.981 -5.259 1.00 0.00 C ATOM 206 CG GLU A 15 -9.340 1.909 -3.742 1.00 0.00 C ATOM 207 CD GLU A 15 -10.585 2.474 -3.086 1.00 0.00 C ATOM 208 OE1 GLU A 15 -10.935 3.637 -3.378 1.00 0.00 O ATOM 209 OE2 GLU A 15 -11.210 1.753 -2.281 1.00 0.00 O ATOM 0 H GLU A 15 -8.040 3.976 -5.784 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.360 1.288 -5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.866 2.919 -5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.027 1.175 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.212 0.871 -3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.467 2.456 -3.387 1.00 0.00 H new ATOM 216 N GLU A 16 -8.825 1.857 -8.215 1.00 0.00 N ATOM 217 CA GLU A 16 -9.021 1.307 -9.551 1.00 0.00 C ATOM 218 C GLU A 16 -7.826 0.453 -9.968 1.00 0.00 C ATOM 219 O GLU A 16 -7.984 -0.580 -10.618 1.00 0.00 O ATOM 220 CB GLU A 16 -9.235 2.433 -10.564 1.00 0.00 C ATOM 221 CG GLU A 16 -10.672 2.924 -10.633 1.00 0.00 C ATOM 222 CD GLU A 16 -11.046 3.442 -12.008 1.00 0.00 C ATOM 223 OE1 GLU A 16 -11.400 2.616 -12.876 1.00 0.00 O ATOM 224 OE2 GLU A 16 -10.985 4.671 -12.217 1.00 0.00 O ATOM 0 H GLU A 16 -9.245 2.775 -8.071 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.908 0.674 -9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.586 3.270 -10.307 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.931 2.085 -11.551 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.344 2.110 -10.360 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.817 3.716 -9.899 1.00 0.00 H new ATOM 231 N LYS A 17 -6.631 0.894 -9.591 1.00 0.00 N ATOM 232 CA LYS A 17 -5.409 0.172 -9.924 1.00 0.00 C ATOM 233 C LYS A 17 -5.180 -0.985 -8.957 1.00 0.00 C ATOM 234 O LYS A 17 -5.207 -2.152 -9.351 1.00 0.00 O ATOM 235 CB LYS A 17 -4.208 1.120 -9.895 1.00 0.00 C ATOM 236 CG LYS A 17 -4.015 1.898 -11.185 1.00 0.00 C ATOM 237 CD LYS A 17 -3.201 1.108 -12.196 1.00 0.00 C ATOM 238 CE LYS A 17 -2.740 1.986 -13.349 1.00 0.00 C ATOM 239 NZ LYS A 17 -2.383 1.182 -14.550 1.00 0.00 N ATOM 0 H LYS A 17 -6.483 1.749 -9.054 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.519 -0.234 -10.929 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.331 1.823 -9.071 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.306 0.544 -9.690 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.987 2.144 -11.612 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.513 2.842 -10.970 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.334 0.669 -11.703 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.800 0.283 -12.582 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.530 2.692 -13.606 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.877 2.573 -13.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.074 1.817 -15.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.612 0.526 -14.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.213 0.641 -14.865 1.00 0.00 H new ATOM 253 N LEU A 18 -4.955 -0.656 -7.690 1.00 0.00 N ATOM 254 CA LEU A 18 -4.723 -1.669 -6.666 1.00 0.00 C ATOM 255 C LEU A 18 -5.589 -2.900 -6.911 1.00 0.00 C ATOM 256 O LEU A 18 -5.205 -4.019 -6.572 1.00 0.00 O ATOM 257 CB LEU A 18 -5.013 -1.094 -5.278 1.00 0.00 C ATOM 258 CG LEU A 18 -4.288 0.204 -4.924 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.883 0.823 -3.668 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.798 -0.049 -4.741 1.00 0.00 C ATOM 0 H LEU A 18 -4.928 0.304 -7.347 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.676 -1.969 -6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.086 -0.921 -5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.753 -1.846 -4.534 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.419 0.906 -5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.354 1.746 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.938 1.042 -3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.784 0.125 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.298 0.886 -4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.647 -0.769 -3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.380 -0.446 -5.666 1.00 0.00 H new ATOM 272 N ARG A 19 -6.759 -2.685 -7.503 1.00 0.00 N ATOM 273 CA ARG A 19 -7.680 -3.777 -7.795 1.00 0.00 C ATOM 274 C ARG A 19 -6.996 -4.857 -8.628 1.00 0.00 C ATOM 275 O ARG A 19 -7.003 -6.033 -8.264 1.00 0.00 O ATOM 276 CB ARG A 19 -8.911 -3.251 -8.535 1.00 0.00 C ATOM 277 CG ARG A 19 -10.041 -2.825 -7.611 1.00 0.00 C ATOM 278 CD ARG A 19 -11.380 -2.825 -8.332 1.00 0.00 C ATOM 279 NE ARG A 19 -11.797 -4.172 -8.712 1.00 0.00 N ATOM 280 CZ ARG A 19 -12.613 -4.429 -9.728 1.00 0.00 C ATOM 281 NH1 ARG A 19 -13.098 -3.436 -10.461 1.00 0.00 N ATOM 282 NH2 ARG A 19 -12.946 -5.682 -10.012 1.00 0.00 N ATOM 0 H ARG A 19 -7.092 -1.765 -7.790 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.994 -4.216 -6.848 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.618 -2.402 -9.152 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.277 -4.025 -9.210 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.087 -3.499 -6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.837 -1.828 -7.220 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.138 -2.379 -7.688 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.312 -2.202 -9.224 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.442 -4.958 -8.168 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.845 -2.472 -10.245 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.724 -3.636 -11.241 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.575 -6.448 -9.450 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.573 -5.879 -10.792 1.00 0.00 H new ATOM 296 N ALA A 20 -6.407 -4.449 -9.748 1.00 0.00 N ATOM 297 CA ALA A 20 -5.718 -5.381 -10.631 1.00 0.00 C ATOM 298 C ALA A 20 -4.232 -5.457 -10.297 1.00 0.00 C ATOM 299 O ALA A 20 -3.627 -6.527 -10.358 1.00 0.00 O ATOM 300 CB ALA A 20 -5.914 -4.974 -12.084 1.00 0.00 C ATOM 0 H ALA A 20 -6.394 -3.479 -10.065 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.149 -6.371 -10.481 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.394 -5.679 -12.733 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.978 -4.978 -12.323 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.511 -3.973 -12.239 1.00 0.00 H new ATOM 306 N ALA A 21 -3.650 -4.316 -9.945 1.00 0.00 N ATOM 307 CA ALA A 21 -2.235 -4.254 -9.600 1.00 0.00 C ATOM 308 C ALA A 21 -1.848 -5.393 -8.663 1.00 0.00 C ATOM 309 O ALA A 21 -1.007 -6.228 -8.998 1.00 0.00 O ATOM 310 CB ALA A 21 -1.904 -2.911 -8.966 1.00 0.00 C ATOM 0 H ALA A 21 -4.137 -3.421 -9.891 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.658 -4.362 -10.518 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.844 -2.879 -8.714 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.134 -2.110 -9.669 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.497 -2.780 -8.061 1.00 0.00 H new ATOM 316 N PHE A 22 -2.466 -5.422 -7.487 1.00 0.00 N ATOM 317 CA PHE A 22 -2.185 -6.458 -6.501 1.00 0.00 C ATOM 318 C PHE A 22 -3.330 -7.465 -6.428 1.00 0.00 C ATOM 319 O PHE A 22 -3.107 -8.675 -6.436 1.00 0.00 O ATOM 320 CB PHE A 22 -1.953 -5.832 -5.124 1.00 0.00 C ATOM 321 CG PHE A 22 -0.723 -4.974 -5.056 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.519 -5.539 -4.815 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.808 -3.602 -5.231 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.654 -4.753 -4.752 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.324 -2.811 -5.169 1.00 0.00 C ATOM 326 CZ PHE A 22 1.556 -3.386 -4.928 1.00 0.00 C ATOM 0 H PHE A 22 -3.165 -4.739 -7.194 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.282 -6.983 -6.811 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.821 -5.230 -4.856 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.874 -6.626 -4.381 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.601 -6.607 -4.675 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.769 -3.146 -5.418 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.616 -5.207 -4.565 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.245 -1.743 -5.309 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.441 -2.769 -4.877 1.00 0.00 H new ATOM 336 N GLN A 23 -4.555 -6.954 -6.357 1.00 0.00 N ATOM 337 CA GLN A 23 -5.735 -7.808 -6.281 1.00 0.00 C ATOM 338 C GLN A 23 -5.877 -8.419 -4.891 1.00 0.00 C ATOM 339 O GLN A 23 -6.050 -9.627 -4.731 1.00 0.00 O ATOM 340 CB GLN A 23 -5.656 -8.917 -7.332 1.00 0.00 C ATOM 341 CG GLN A 23 -5.136 -8.442 -8.679 1.00 0.00 C ATOM 342 CD GLN A 23 -5.051 -9.560 -9.699 1.00 0.00 C ATOM 343 OE1 GLN A 23 -4.217 -10.459 -9.583 1.00 0.00 O ATOM 344 NE2 GLN A 23 -5.915 -9.511 -10.706 1.00 0.00 N ATOM 0 H GLN A 23 -4.756 -5.954 -6.351 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.612 -7.191 -6.478 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.009 -9.712 -6.962 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.647 -9.350 -7.467 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.789 -7.657 -9.060 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.149 -7.999 -8.547 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.589 -8.748 -10.763 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.905 -10.237 -11.423 1.00 0.00 H new ATOM 353 N PRO A 24 -5.801 -7.565 -3.858 1.00 0.00 N ATOM 354 CA PRO A 24 -5.918 -7.998 -2.463 1.00 0.00 C ATOM 355 C PRO A 24 -7.332 -8.449 -2.113 1.00 0.00 C ATOM 356 O PRO A 24 -8.218 -8.468 -2.968 1.00 0.00 O ATOM 357 CB PRO A 24 -5.545 -6.744 -1.670 1.00 0.00 C ATOM 358 CG PRO A 24 -5.863 -5.610 -2.582 1.00 0.00 C ATOM 359 CD PRO A 24 -5.595 -6.112 -3.974 1.00 0.00 C ATOM 0 HA PRO A 24 -5.284 -8.858 -2.249 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.114 -6.678 -0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.490 -6.748 -1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.902 -5.300 -2.472 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.245 -4.741 -2.355 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.275 -5.666 -4.700 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.582 -5.874 -4.299 1.00 0.00 H new ATOM 367 N VAL A 25 -7.538 -8.812 -0.851 1.00 0.00 N ATOM 368 CA VAL A 25 -8.845 -9.261 -0.387 1.00 0.00 C ATOM 369 C VAL A 25 -9.649 -8.104 0.195 1.00 0.00 C ATOM 370 O VAL A 25 -10.879 -8.102 0.144 1.00 0.00 O ATOM 371 CB VAL A 25 -8.714 -10.368 0.676 1.00 0.00 C ATOM 372 CG1 VAL A 25 -7.954 -9.854 1.890 1.00 0.00 C ATOM 373 CG2 VAL A 25 -10.086 -10.887 1.076 1.00 0.00 C ATOM 0 H VAL A 25 -6.815 -8.804 -0.131 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.368 -9.662 -1.255 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.149 -11.196 0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.871 -10.649 2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.957 -9.535 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.489 -9.009 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.974 -11.668 1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.678 -10.070 1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.590 -11.295 0.200 1.00 0.00 H new ATOM 383 N PHE A 26 -8.946 -7.122 0.748 1.00 0.00 N ATOM 384 CA PHE A 26 -9.594 -5.958 1.342 1.00 0.00 C ATOM 385 C PHE A 26 -9.164 -4.676 0.635 1.00 0.00 C ATOM 386 O PHE A 26 -8.041 -4.575 0.137 1.00 0.00 O ATOM 387 CB PHE A 26 -9.262 -5.868 2.833 1.00 0.00 C ATOM 388 CG PHE A 26 -10.165 -4.938 3.592 1.00 0.00 C ATOM 389 CD1 PHE A 26 -11.450 -5.325 3.936 1.00 0.00 C ATOM 390 CD2 PHE A 26 -9.728 -3.676 3.962 1.00 0.00 C ATOM 391 CE1 PHE A 26 -12.283 -4.472 4.636 1.00 0.00 C ATOM 392 CE2 PHE A 26 -10.556 -2.819 4.662 1.00 0.00 C ATOM 393 CZ PHE A 26 -11.835 -3.217 4.998 1.00 0.00 C ATOM 0 H PHE A 26 -7.927 -7.109 0.797 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.671 -6.073 1.223 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.326 -6.863 3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.231 -5.535 2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.805 -6.305 3.654 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.729 -3.359 3.700 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.282 -4.787 4.899 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.203 -1.839 4.946 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.484 -2.548 5.543 1.00 0.00 H new ATOM 403 N LEU A 27 -10.064 -3.700 0.593 1.00 0.00 N ATOM 404 CA LEU A 27 -9.778 -2.423 -0.053 1.00 0.00 C ATOM 405 C LEU A 27 -10.668 -1.318 0.508 1.00 0.00 C ATOM 406 O LEU A 27 -11.882 -1.483 0.618 1.00 0.00 O ATOM 407 CB LEU A 27 -9.980 -2.539 -1.565 1.00 0.00 C ATOM 408 CG LEU A 27 -9.076 -1.662 -2.432 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.615 -2.027 -2.217 1.00 0.00 C ATOM 410 CD2 LEU A 27 -9.451 -1.796 -3.900 1.00 0.00 C ATOM 0 H LEU A 27 -10.998 -3.768 0.998 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.739 -2.165 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.828 -3.579 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.017 -2.294 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.217 -0.623 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.986 -1.393 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.353 -1.878 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.458 -3.072 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.797 -1.165 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.339 -2.835 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.486 -1.485 -4.041 1.00 0.00 H new ATOM 422 N GLU A 28 -10.054 -0.192 0.858 1.00 0.00 N ATOM 423 CA GLU A 28 -10.792 0.940 1.406 1.00 0.00 C ATOM 424 C GLU A 28 -9.897 2.172 1.513 1.00 0.00 C ATOM 425 O GLU A 28 -8.809 2.115 2.086 1.00 0.00 O ATOM 426 CB GLU A 28 -11.361 0.589 2.782 1.00 0.00 C ATOM 427 CG GLU A 28 -12.261 1.667 3.361 1.00 0.00 C ATOM 428 CD GLU A 28 -11.481 2.776 4.040 1.00 0.00 C ATOM 429 OE1 GLU A 28 -10.975 3.667 3.326 1.00 0.00 O ATOM 430 OE2 GLU A 28 -11.376 2.753 5.284 1.00 0.00 O ATOM 0 H GLU A 28 -9.049 -0.040 0.772 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.615 1.167 0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.924 -0.341 2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.536 0.407 3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.871 2.092 2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.945 1.216 4.080 1.00 0.00 H new ATOM 437 N VAL A 29 -10.363 3.285 0.955 1.00 0.00 N ATOM 438 CA VAL A 29 -9.607 4.531 0.987 1.00 0.00 C ATOM 439 C VAL A 29 -10.336 5.595 1.800 1.00 0.00 C ATOM 440 O VAL A 29 -11.538 5.804 1.634 1.00 0.00 O ATOM 441 CB VAL A 29 -9.352 5.070 -0.433 1.00 0.00 C ATOM 442 CG1 VAL A 29 -8.584 6.382 -0.377 1.00 0.00 C ATOM 443 CG2 VAL A 29 -8.605 4.040 -1.267 1.00 0.00 C ATOM 0 H VAL A 29 -11.261 3.349 0.475 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.650 4.309 1.460 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.314 5.261 -0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.413 6.747 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.162 7.118 0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.626 6.222 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.433 4.437 -2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.648 3.816 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.198 3.128 -1.336 1.00 0.00 H new ATOM 453 N VAL A 30 -9.600 6.268 2.679 1.00 0.00 N ATOM 454 CA VAL A 30 -10.175 7.312 3.518 1.00 0.00 C ATOM 455 C VAL A 30 -9.754 8.697 3.037 1.00 0.00 C ATOM 456 O VAL A 30 -8.663 9.170 3.353 1.00 0.00 O ATOM 457 CB VAL A 30 -9.758 7.144 4.991 1.00 0.00 C ATOM 458 CG1 VAL A 30 -10.237 8.325 5.820 1.00 0.00 C ATOM 459 CG2 VAL A 30 -10.296 5.836 5.550 1.00 0.00 C ATOM 0 H VAL A 30 -8.604 6.108 2.828 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.258 7.217 3.443 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.670 7.114 5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.933 8.188 6.858 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.798 9.244 5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.324 8.391 5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.992 5.733 6.592 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.384 5.834 5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.898 5.002 4.972 1.00 0.00 H new ATOM 469 N ASP A 31 -10.628 9.341 2.271 1.00 0.00 N ATOM 470 CA ASP A 31 -10.348 10.673 1.747 1.00 0.00 C ATOM 471 C ASP A 31 -11.105 11.738 2.535 1.00 0.00 C ATOM 472 O ASP A 31 -12.336 11.768 2.530 1.00 0.00 O ATOM 473 CB ASP A 31 -10.725 10.752 0.267 1.00 0.00 C ATOM 474 CG ASP A 31 -9.941 11.817 -0.474 1.00 0.00 C ATOM 475 OD1 ASP A 31 -8.835 12.169 -0.014 1.00 0.00 O ATOM 476 OD2 ASP A 31 -10.433 12.298 -1.516 1.00 0.00 O ATOM 0 H ASP A 31 -11.535 8.963 1.999 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.279 10.860 1.852 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.550 9.784 -0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.791 10.961 0.177 1.00 0.00 H new ATOM 481 N GLU A 32 -10.362 12.607 3.212 1.00 0.00 N ATOM 482 CA GLU A 32 -10.964 13.671 4.006 1.00 0.00 C ATOM 483 C GLU A 32 -10.697 15.037 3.379 1.00 0.00 C ATOM 484 O GLU A 32 -9.869 15.805 3.868 1.00 0.00 O ATOM 485 CB GLU A 32 -10.422 13.640 5.436 1.00 0.00 C ATOM 486 CG GLU A 32 -10.689 12.330 6.159 1.00 0.00 C ATOM 487 CD GLU A 32 -10.648 12.478 7.668 1.00 0.00 C ATOM 488 OE1 GLU A 32 -11.677 12.875 8.253 1.00 0.00 O ATOM 489 OE2 GLU A 32 -9.587 12.198 8.263 1.00 0.00 O ATOM 0 H GLU A 32 -9.342 12.595 3.227 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.041 13.506 4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.347 13.820 5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.869 14.456 6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.665 11.948 5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.950 11.591 5.850 1.00 0.00 H new ATOM 686 N PHE A 46 -4.232 11.767 3.575 1.00 0.00 N ATOM 687 CA PHE A 46 -4.659 10.666 2.720 1.00 0.00 C ATOM 688 C PHE A 46 -4.262 9.322 3.325 1.00 0.00 C ATOM 689 O PHE A 46 -3.137 9.147 3.794 1.00 0.00 O ATOM 690 CB PHE A 46 -4.050 10.810 1.324 1.00 0.00 C ATOM 691 CG PHE A 46 -4.924 10.267 0.230 1.00 0.00 C ATOM 692 CD1 PHE A 46 -5.056 8.900 0.044 1.00 0.00 C ATOM 693 CD2 PHE A 46 -5.614 11.123 -0.614 1.00 0.00 C ATOM 694 CE1 PHE A 46 -5.860 8.397 -0.961 1.00 0.00 C ATOM 695 CE2 PHE A 46 -6.419 10.626 -1.621 1.00 0.00 C ATOM 696 CZ PHE A 46 -6.541 9.261 -1.796 1.00 0.00 C ATOM 0 HA PHE A 46 -5.745 10.702 2.640 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.851 11.864 1.130 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.090 10.295 1.300 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.524 8.220 0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.521 12.191 -0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.956 7.329 -1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.952 11.304 -2.271 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.168 8.870 -2.584 1.00 0.00 H new ATOM 706 N LYS A 47 -5.194 8.375 3.310 1.00 0.00 N ATOM 707 CA LYS A 47 -4.943 7.046 3.855 1.00 0.00 C ATOM 708 C LYS A 47 -5.519 5.967 2.944 1.00 0.00 C ATOM 709 O LYS A 47 -6.507 6.192 2.245 1.00 0.00 O ATOM 710 CB LYS A 47 -5.550 6.924 5.255 1.00 0.00 C ATOM 711 CG LYS A 47 -5.041 5.725 6.036 1.00 0.00 C ATOM 712 CD LYS A 47 -6.118 5.150 6.940 1.00 0.00 C ATOM 713 CE LYS A 47 -6.863 4.009 6.264 1.00 0.00 C ATOM 714 NZ LYS A 47 -7.441 4.423 4.956 1.00 0.00 N ATOM 0 H LYS A 47 -6.130 8.503 2.926 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.864 6.904 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.332 7.832 5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.634 6.856 5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.699 4.957 5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.180 6.019 6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.665 4.793 7.865 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.823 5.935 7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.183 3.171 6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.660 3.658 6.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.286 3.851 4.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.704 5.428 4.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.737 4.279 4.204 1.00 0.00 H new ATOM 728 N VAL A 48 -4.895 4.793 2.958 1.00 0.00 N ATOM 729 CA VAL A 48 -5.347 3.677 2.135 1.00 0.00 C ATOM 730 C VAL A 48 -5.133 2.347 2.847 1.00 0.00 C ATOM 731 O VAL A 48 -4.051 2.077 3.369 1.00 0.00 O ATOM 732 CB VAL A 48 -4.615 3.646 0.780 1.00 0.00 C ATOM 733 CG1 VAL A 48 -4.906 2.347 0.045 1.00 0.00 C ATOM 734 CG2 VAL A 48 -5.009 4.847 -0.066 1.00 0.00 C ATOM 0 H VAL A 48 -4.075 4.590 3.530 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.413 3.824 1.960 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.542 3.698 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.380 2.344 -0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.568 1.504 0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.978 2.261 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.482 4.809 -1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.084 4.829 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.743 5.765 0.459 1.00 0.00 H new ATOM 744 N VAL A 49 -6.171 1.517 2.864 1.00 0.00 N ATOM 745 CA VAL A 49 -6.097 0.212 3.511 1.00 0.00 C ATOM 746 C VAL A 49 -6.072 -0.911 2.481 1.00 0.00 C ATOM 747 O VAL A 49 -6.882 -0.936 1.553 1.00 0.00 O ATOM 748 CB VAL A 49 -7.284 -0.009 4.467 1.00 0.00 C ATOM 749 CG1 VAL A 49 -7.199 -1.383 5.114 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.328 1.085 5.523 1.00 0.00 C ATOM 0 H VAL A 49 -7.074 1.725 2.437 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.170 0.195 4.085 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.207 0.038 3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.046 -1.522 5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.220 -2.151 4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.270 -1.462 5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.173 0.913 6.190 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.403 1.072 6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.440 2.055 5.038 1.00 0.00 H new ATOM 760 N LEU A 50 -5.137 -1.840 2.649 1.00 0.00 N ATOM 761 CA LEU A 50 -5.006 -2.969 1.734 1.00 0.00 C ATOM 762 C LEU A 50 -4.506 -4.209 2.467 1.00 0.00 C ATOM 763 O LEU A 50 -3.404 -4.217 3.015 1.00 0.00 O ATOM 764 CB LEU A 50 -4.050 -2.617 0.593 1.00 0.00 C ATOM 765 CG LEU A 50 -3.770 -3.731 -0.416 1.00 0.00 C ATOM 766 CD1 LEU A 50 -3.488 -3.148 -1.792 1.00 0.00 C ATOM 767 CD2 LEU A 50 -2.604 -4.591 0.050 1.00 0.00 C ATOM 0 H LEU A 50 -4.458 -1.834 3.410 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.991 -3.187 1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.458 -1.761 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.101 -2.299 1.026 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.656 -4.362 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.291 -3.956 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.352 -2.576 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.618 -2.493 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.418 -5.379 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.713 -3.972 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.845 -5.039 1.014 1.00 0.00 H new ATOM 779 N VAL A 51 -5.323 -5.258 2.470 1.00 0.00 N ATOM 780 CA VAL A 51 -4.963 -6.506 3.133 1.00 0.00 C ATOM 781 C VAL A 51 -4.579 -7.576 2.117 1.00 0.00 C ATOM 782 O VAL A 51 -5.376 -7.940 1.252 1.00 0.00 O ATOM 783 CB VAL A 51 -6.118 -7.032 4.005 1.00 0.00 C ATOM 784 CG1 VAL A 51 -5.720 -8.329 4.694 1.00 0.00 C ATOM 785 CG2 VAL A 51 -6.535 -5.983 5.025 1.00 0.00 C ATOM 0 H VAL A 51 -6.239 -5.268 2.021 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.106 -6.290 3.771 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.972 -7.239 3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.549 -8.685 5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.475 -9.080 3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.851 -8.152 5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.352 -6.371 5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.688 -5.743 5.667 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.864 -5.082 4.507 1.00 0.00 H new ATOM 795 N SER A 52 -3.353 -8.078 2.229 1.00 0.00 N ATOM 796 CA SER A 52 -2.862 -9.105 1.319 1.00 0.00 C ATOM 797 C SER A 52 -1.716 -9.889 1.951 1.00 0.00 C ATOM 798 O SER A 52 -0.817 -9.311 2.562 1.00 0.00 O ATOM 799 CB SER A 52 -2.398 -8.472 0.005 1.00 0.00 C ATOM 800 OG SER A 52 -2.190 -9.459 -0.991 1.00 0.00 O ATOM 0 H SER A 52 -2.682 -7.790 2.941 1.00 0.00 H new ATOM 0 HA SER A 52 -3.681 -9.795 1.113 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.143 -7.754 -0.340 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.474 -7.918 0.171 1.00 0.00 H new ATOM 0 HG SER A 52 -1.896 -9.029 -1.821 1.00 0.00 H new ATOM 806 N ASP A 53 -1.756 -11.208 1.801 1.00 0.00 N ATOM 807 CA ASP A 53 -0.721 -12.073 2.356 1.00 0.00 C ATOM 808 C ASP A 53 0.660 -11.658 1.856 1.00 0.00 C ATOM 809 O ASP A 53 1.655 -11.797 2.566 1.00 0.00 O ATOM 810 CB ASP A 53 -0.993 -13.532 1.987 1.00 0.00 C ATOM 811 CG ASP A 53 -0.640 -13.840 0.545 1.00 0.00 C ATOM 812 OD1 ASP A 53 -1.169 -13.153 -0.354 1.00 0.00 O ATOM 813 OD2 ASP A 53 0.163 -14.768 0.316 1.00 0.00 O ATOM 0 H ASP A 53 -2.494 -11.702 1.300 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.741 -11.971 3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.419 -14.183 2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.046 -13.756 2.156 1.00 0.00 H new ATOM 818 N ARG A 54 0.711 -11.148 0.630 1.00 0.00 N ATOM 819 CA ARG A 54 1.969 -10.715 0.034 1.00 0.00 C ATOM 820 C ARG A 54 2.780 -9.882 1.022 1.00 0.00 C ATOM 821 O ARG A 54 3.996 -9.746 0.885 1.00 0.00 O ATOM 822 CB ARG A 54 1.705 -9.905 -1.236 1.00 0.00 C ATOM 823 CG ARG A 54 1.315 -10.758 -2.432 1.00 0.00 C ATOM 824 CD ARG A 54 2.518 -11.482 -3.016 1.00 0.00 C ATOM 825 NE ARG A 54 3.506 -10.554 -3.557 1.00 0.00 N ATOM 826 CZ ARG A 54 3.418 -10.008 -4.765 1.00 0.00 C ATOM 827 NH1 ARG A 54 2.391 -10.297 -5.553 1.00 0.00 N ATOM 828 NH2 ARG A 54 4.357 -9.172 -5.187 1.00 0.00 N ATOM 0 H ARG A 54 -0.104 -11.024 0.030 1.00 0.00 H new ATOM 0 HA ARG A 54 2.544 -11.604 -0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.910 -9.185 -1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.599 -9.333 -1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.562 -11.486 -2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.861 -10.128 -3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.982 -12.095 -2.244 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.187 -12.158 -3.804 1.00 0.00 H new ATOM 0 HE ARG A 54 4.308 -10.311 -2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.667 -10.940 -5.232 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.325 -9.877 -6.480 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.148 -8.947 -4.584 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.288 -8.754 -6.115 1.00 0.00 H new ATOM 842 N PHE A 55 2.099 -9.326 2.018 1.00 0.00 N ATOM 843 CA PHE A 55 2.755 -8.504 3.029 1.00 0.00 C ATOM 844 C PHE A 55 3.102 -9.333 4.262 1.00 0.00 C ATOM 845 O PHE A 55 2.913 -8.891 5.396 1.00 0.00 O ATOM 846 CB PHE A 55 1.856 -7.331 3.425 1.00 0.00 C ATOM 847 CG PHE A 55 1.574 -6.383 2.295 1.00 0.00 C ATOM 848 CD1 PHE A 55 0.571 -6.656 1.379 1.00 0.00 C ATOM 849 CD2 PHE A 55 2.312 -5.220 2.148 1.00 0.00 C ATOM 850 CE1 PHE A 55 0.310 -5.786 0.337 1.00 0.00 C ATOM 851 CE2 PHE A 55 2.056 -4.346 1.109 1.00 0.00 C ATOM 852 CZ PHE A 55 1.053 -4.629 0.203 1.00 0.00 C ATOM 0 H PHE A 55 1.093 -9.429 2.147 1.00 0.00 H new ATOM 0 HA PHE A 55 3.680 -8.116 2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.912 -7.720 3.806 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.327 -6.782 4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.013 -7.559 1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.097 -4.994 2.854 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.474 -6.010 -0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.639 -3.443 1.006 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.850 -3.947 -0.609 1.00 0.00 H new ATOM 961 N ASN A 62 9.583 -2.247 1.587 1.00 0.00 N ATOM 962 CA ASN A 62 8.998 -3.034 0.508 1.00 0.00 C ATOM 963 C ASN A 62 7.542 -2.640 0.275 1.00 0.00 C ATOM 964 O ASN A 62 7.118 -2.435 -0.862 1.00 0.00 O ATOM 965 CB ASN A 62 9.089 -4.527 0.830 1.00 0.00 C ATOM 966 CG ASN A 62 8.657 -5.397 -0.334 1.00 0.00 C ATOM 967 OD1 ASN A 62 8.159 -4.899 -1.344 1.00 0.00 O ATOM 968 ND2 ASN A 62 8.846 -6.704 -0.198 1.00 0.00 N ATOM 0 HA ASN A 62 9.561 -2.831 -0.403 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.114 -4.775 1.104 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.465 -4.748 1.696 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.575 -7.339 -0.948 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.262 -7.073 0.657 1.00 0.00 H new ATOM 975 N ARG A 63 6.782 -2.538 1.360 1.00 0.00 N ATOM 976 CA ARG A 63 5.374 -2.170 1.275 1.00 0.00 C ATOM 977 C ARG A 63 5.198 -0.870 0.495 1.00 0.00 C ATOM 978 O ARG A 63 4.481 -0.827 -0.506 1.00 0.00 O ATOM 979 CB ARG A 63 4.778 -2.021 2.676 1.00 0.00 C ATOM 980 CG ARG A 63 4.895 -3.276 3.525 1.00 0.00 C ATOM 981 CD ARG A 63 6.165 -3.267 4.360 1.00 0.00 C ATOM 982 NE ARG A 63 5.987 -3.957 5.635 1.00 0.00 N ATOM 983 CZ ARG A 63 5.352 -3.428 6.675 1.00 0.00 C ATOM 984 NH1 ARG A 63 4.838 -2.209 6.592 1.00 0.00 N ATOM 985 NH2 ARG A 63 5.231 -4.118 7.801 1.00 0.00 N ATOM 0 H ARG A 63 7.118 -2.705 2.309 1.00 0.00 H new ATOM 0 HA ARG A 63 4.848 -2.965 0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.277 -1.198 3.188 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.726 -1.750 2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.028 -3.355 4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.888 -4.155 2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.970 -3.742 3.800 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.470 -2.237 4.545 1.00 0.00 H new ATOM 0 HE ARG A 63 6.371 -4.897 5.732 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.930 -1.675 5.728 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.351 -1.805 7.392 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.626 -5.056 7.869 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.743 -3.711 8.599 1.00 0.00 H new ATOM 999 N HIS A 64 5.857 0.187 0.959 1.00 0.00 N ATOM 1000 CA HIS A 64 5.773 1.488 0.305 1.00 0.00 C ATOM 1001 C HIS A 64 6.136 1.377 -1.173 1.00 0.00 C ATOM 1002 O HIS A 64 5.276 1.509 -2.045 1.00 0.00 O ATOM 1003 CB HIS A 64 6.699 2.490 0.995 1.00 0.00 C ATOM 1004 CG HIS A 64 6.174 2.984 2.308 1.00 0.00 C ATOM 1005 ND1 HIS A 64 5.862 4.306 2.544 1.00 0.00 N ATOM 1006 CD2 HIS A 64 5.905 2.324 3.459 1.00 0.00 C ATOM 1007 CE1 HIS A 64 5.425 4.438 3.784 1.00 0.00 C ATOM 1008 NE2 HIS A 64 5.441 3.250 4.360 1.00 0.00 N ATOM 0 H HIS A 64 6.455 0.168 1.785 1.00 0.00 H new ATOM 0 HA HIS A 64 4.745 1.841 0.384 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.671 2.024 1.154 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.858 3.341 0.333 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.032 1.266 3.636 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.109 5.361 4.248 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.155 3.052 5.319 1.00 0.00 H new ATOM 1017 N ARG A 65 7.413 1.134 -1.447 1.00 0.00 N ATOM 1018 CA ARG A 65 7.889 1.007 -2.820 1.00 0.00 C ATOM 1019 C ARG A 65 6.865 0.280 -3.686 1.00 0.00 C ATOM 1020 O ARG A 65 6.619 0.665 -4.829 1.00 0.00 O ATOM 1021 CB ARG A 65 9.223 0.259 -2.852 1.00 0.00 C ATOM 1022 CG ARG A 65 9.137 -1.164 -2.323 1.00 0.00 C ATOM 1023 CD ARG A 65 10.410 -1.943 -2.609 1.00 0.00 C ATOM 1024 NE ARG A 65 10.159 -3.376 -2.732 1.00 0.00 N ATOM 1025 CZ ARG A 65 11.112 -4.272 -2.965 1.00 0.00 C ATOM 1026 NH1 ARG A 65 12.373 -3.884 -3.101 1.00 0.00 N ATOM 1027 NH2 ARG A 65 10.805 -5.559 -3.064 1.00 0.00 N ATOM 0 H ARG A 65 8.137 1.021 -0.737 1.00 0.00 H new ATOM 0 HA ARG A 65 8.032 2.010 -3.223 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.592 0.235 -3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.954 0.813 -2.263 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.956 -1.143 -1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.288 -1.672 -2.780 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.862 -1.574 -3.530 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.129 -1.768 -1.809 1.00 0.00 H new ATOM 0 HE ARG A 65 9.199 -3.707 -2.634 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.613 -2.895 -3.027 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.102 -4.574 -3.280 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.836 -5.862 -2.961 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.538 -6.246 -3.243 1.00 0.00 H new ATOM 1041 N MET A 66 6.271 -0.772 -3.133 1.00 0.00 N ATOM 1042 CA MET A 66 5.272 -1.552 -3.855 1.00 0.00 C ATOM 1043 C MET A 66 4.077 -0.685 -4.237 1.00 0.00 C ATOM 1044 O MET A 66 3.712 -0.596 -5.410 1.00 0.00 O ATOM 1045 CB MET A 66 4.807 -2.737 -3.006 1.00 0.00 C ATOM 1046 CG MET A 66 5.704 -3.959 -3.125 1.00 0.00 C ATOM 1047 SD MET A 66 4.813 -5.502 -2.851 1.00 0.00 S ATOM 1048 CE MET A 66 5.096 -5.751 -1.100 1.00 0.00 C ATOM 0 H MET A 66 6.464 -1.104 -2.188 1.00 0.00 H new ATOM 0 HA MET A 66 5.732 -1.928 -4.769 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.762 -2.430 -1.961 1.00 0.00 H new ATOM 0 HB3 MET A 66 3.794 -3.010 -3.302 1.00 0.00 H new ATOM 0 HG2 MET A 66 6.158 -3.977 -4.116 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.517 -3.880 -2.403 1.00 0.00 H new ATOM 0 HE1 MET A 66 4.208 -6.192 -0.647 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.945 -6.420 -0.960 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.307 -4.793 -0.626 1.00 0.00 H new ATOM 1058 N ILE A 67 3.471 -0.048 -3.241 1.00 0.00 N ATOM 1059 CA ILE A 67 2.318 0.812 -3.474 1.00 0.00 C ATOM 1060 C ILE A 67 2.679 1.981 -4.385 1.00 0.00 C ATOM 1061 O ILE A 67 1.970 2.271 -5.349 1.00 0.00 O ATOM 1062 CB ILE A 67 1.751 1.363 -2.152 1.00 0.00 C ATOM 1063 CG1 ILE A 67 1.464 0.218 -1.178 1.00 0.00 C ATOM 1064 CG2 ILE A 67 0.489 2.172 -2.414 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.285 -0.639 -1.583 1.00 0.00 C ATOM 0 H ILE A 67 3.760 -0.111 -2.265 1.00 0.00 H new ATOM 0 HA ILE A 67 1.559 0.198 -3.958 1.00 0.00 H new ATOM 0 HB ILE A 67 2.494 2.021 -1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.350 -0.412 -1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.278 0.633 -0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.100 2.555 -1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.722 3.006 -3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.260 1.535 -2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.140 -1.430 -0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.612 -0.022 -1.634 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.476 -1.083 -2.560 1.00 0.00 H new ATOM 1077 N TYR A 68 3.785 2.646 -4.074 1.00 0.00 N ATOM 1078 CA TYR A 68 4.241 3.784 -4.865 1.00 0.00 C ATOM 1079 C TYR A 68 4.449 3.385 -6.323 1.00 0.00 C ATOM 1080 O TYR A 68 3.865 3.978 -7.230 1.00 0.00 O ATOM 1081 CB TYR A 68 5.541 4.345 -4.287 1.00 0.00 C ATOM 1082 CG TYR A 68 5.326 5.373 -3.199 1.00 0.00 C ATOM 1083 CD1 TYR A 68 4.468 5.120 -2.136 1.00 0.00 C ATOM 1084 CD2 TYR A 68 5.982 6.597 -3.234 1.00 0.00 C ATOM 1085 CE1 TYR A 68 4.268 6.056 -1.141 1.00 0.00 C ATOM 1086 CE2 TYR A 68 5.789 7.539 -2.242 1.00 0.00 C ATOM 1087 CZ TYR A 68 4.931 7.264 -1.198 1.00 0.00 C ATOM 1088 OH TYR A 68 4.736 8.199 -0.207 1.00 0.00 O ATOM 0 H TYR A 68 4.383 2.417 -3.280 1.00 0.00 H new ATOM 0 HA TYR A 68 3.471 4.555 -4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.135 3.523 -3.887 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.122 4.796 -5.092 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.948 4.175 -2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.654 6.816 -4.050 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.596 5.843 -0.323 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.307 8.486 -2.284 1.00 0.00 H new ATOM 0 HH TYR A 68 5.277 8.994 -0.396 1.00 0.00 H new ATOM 1098 N SER A 69 5.286 2.376 -6.540 1.00 0.00 N ATOM 1099 CA SER A 69 5.575 1.899 -7.887 1.00 0.00 C ATOM 1100 C SER A 69 4.315 1.902 -8.747 1.00 0.00 C ATOM 1101 O SER A 69 4.345 2.299 -9.912 1.00 0.00 O ATOM 1102 CB SER A 69 6.167 0.489 -7.835 1.00 0.00 C ATOM 1103 OG SER A 69 6.431 -0.002 -9.139 1.00 0.00 O ATOM 0 H SER A 69 5.776 1.873 -5.800 1.00 0.00 H new ATOM 0 HA SER A 69 6.302 2.575 -8.337 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.089 0.499 -7.253 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.475 -0.181 -7.324 1.00 0.00 H new ATOM 0 HG SER A 69 6.810 -0.904 -9.079 1.00 0.00 H new ATOM 1109 N THR A 70 3.207 1.456 -8.163 1.00 0.00 N ATOM 1110 CA THR A 70 1.936 1.406 -8.874 1.00 0.00 C ATOM 1111 C THR A 70 1.451 2.806 -9.233 1.00 0.00 C ATOM 1112 O THR A 70 1.178 3.100 -10.398 1.00 0.00 O ATOM 1113 CB THR A 70 0.852 0.698 -8.039 1.00 0.00 C ATOM 1114 OG1 THR A 70 1.347 -0.555 -7.555 1.00 0.00 O ATOM 1115 CG2 THR A 70 -0.404 0.468 -8.865 1.00 0.00 C ATOM 0 H THR A 70 3.165 1.124 -7.199 1.00 0.00 H new ATOM 0 HA THR A 70 2.108 0.838 -9.788 1.00 0.00 H new ATOM 0 HB THR A 70 0.599 1.339 -7.194 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.607 -1.075 -7.177 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.155 -0.033 -8.254 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.795 1.426 -9.207 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.164 -0.154 -9.727 1.00 0.00 H new ATOM 1123 N LEU A 71 1.346 3.667 -8.227 1.00 0.00 N ATOM 1124 CA LEU A 71 0.894 5.038 -8.437 1.00 0.00 C ATOM 1125 C LEU A 71 2.078 5.999 -8.492 1.00 0.00 C ATOM 1126 O LEU A 71 1.979 7.147 -8.060 1.00 0.00 O ATOM 1127 CB LEU A 71 -0.065 5.456 -7.321 1.00 0.00 C ATOM 1128 CG LEU A 71 -1.267 4.539 -7.091 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -1.786 4.687 -5.669 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -2.368 4.840 -8.096 1.00 0.00 C ATOM 0 H LEU A 71 1.568 3.440 -7.258 1.00 0.00 H new ATOM 0 HA LEU A 71 0.371 5.080 -9.392 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.499 5.523 -6.391 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.434 6.457 -7.543 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.945 3.507 -7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.641 4.027 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.998 4.421 -4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.091 5.719 -5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.215 4.178 -7.917 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.688 5.876 -7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.991 4.682 -9.107 1.00 0.00 H new ATOM 1142 N ALA A 72 3.197 5.521 -9.028 1.00 0.00 N ATOM 1143 CA ALA A 72 4.398 6.339 -9.143 1.00 0.00 C ATOM 1144 C ALA A 72 4.052 7.769 -9.543 1.00 0.00 C ATOM 1145 O ALA A 72 4.271 8.707 -8.777 1.00 0.00 O ATOM 1146 CB ALA A 72 5.359 5.725 -10.151 1.00 0.00 C ATOM 0 H ALA A 72 3.296 4.572 -9.389 1.00 0.00 H new ATOM 0 HA ALA A 72 4.882 6.370 -8.167 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.252 6.346 -10.227 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.640 4.724 -9.823 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.875 5.665 -11.126 1.00 0.00 H new ATOM 1152 N GLU A 73 3.510 7.928 -10.746 1.00 0.00 N ATOM 1153 CA GLU A 73 3.136 9.246 -11.247 1.00 0.00 C ATOM 1154 C GLU A 73 1.750 9.644 -10.746 1.00 0.00 C ATOM 1155 O GLU A 73 1.553 10.755 -10.255 1.00 0.00 O ATOM 1156 CB GLU A 73 3.161 9.261 -12.777 1.00 0.00 C ATOM 1157 CG GLU A 73 3.268 10.656 -13.370 1.00 0.00 C ATOM 1158 CD GLU A 73 3.209 10.652 -14.885 1.00 0.00 C ATOM 1159 OE1 GLU A 73 4.213 10.260 -15.516 1.00 0.00 O ATOM 1160 OE2 GLU A 73 2.159 11.040 -15.439 1.00 0.00 O ATOM 0 H GLU A 73 3.320 7.162 -11.392 1.00 0.00 H new ATOM 0 HA GLU A 73 3.861 9.969 -10.872 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.003 8.662 -13.124 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.255 8.785 -13.152 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.460 11.275 -12.980 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.204 11.113 -13.048 1.00 0.00 H new ATOM 1167 N GLU A 74 0.795 8.729 -10.877 1.00 0.00 N ATOM 1168 CA GLU A 74 -0.572 8.986 -10.439 1.00 0.00 C ATOM 1169 C GLU A 74 -0.587 9.756 -9.122 1.00 0.00 C ATOM 1170 O GLU A 74 -1.391 10.670 -8.933 1.00 0.00 O ATOM 1171 CB GLU A 74 -1.337 7.670 -10.282 1.00 0.00 C ATOM 1172 CG GLU A 74 -1.298 6.791 -11.521 1.00 0.00 C ATOM 1173 CD GLU A 74 -2.516 5.896 -11.640 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -3.644 6.403 -11.467 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -2.341 4.689 -11.907 1.00 0.00 O ATOM 0 H GLU A 74 0.942 7.805 -11.282 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.061 9.594 -11.200 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.921 7.116 -9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.376 7.891 -10.036 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.227 7.422 -12.407 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.400 6.174 -11.496 1.00 0.00 H new ATOM 1182 N LEU A 75 0.308 9.381 -8.215 1.00 0.00 N ATOM 1183 CA LEU A 75 0.399 10.035 -6.914 1.00 0.00 C ATOM 1184 C LEU A 75 1.196 11.332 -7.011 1.00 0.00 C ATOM 1185 O LEU A 75 0.849 12.333 -6.385 1.00 0.00 O ATOM 1186 CB LEU A 75 1.050 9.098 -5.894 1.00 0.00 C ATOM 1187 CG LEU A 75 2.565 8.929 -6.010 1.00 0.00 C ATOM 1188 CD1 LEU A 75 3.284 10.096 -5.352 1.00 0.00 C ATOM 1189 CD2 LEU A 75 3.004 7.611 -5.389 1.00 0.00 C ATOM 0 H LEU A 75 0.981 8.628 -8.356 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.612 10.275 -6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.821 9.466 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.587 8.116 -5.985 1.00 0.00 H new ATOM 0 HG LEU A 75 2.830 8.915 -7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.361 9.958 -5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.994 11.025 -5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.013 10.142 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.085 7.508 -5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.726 7.595 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.516 6.785 -5.906 1.00 0.00 H new ATOM 1201 N SER A 76 2.263 11.306 -7.803 1.00 0.00 N ATOM 1202 CA SER A 76 3.110 12.480 -7.981 1.00 0.00 C ATOM 1203 C SER A 76 2.285 13.684 -8.424 1.00 0.00 C ATOM 1204 O SER A 76 2.701 14.831 -8.262 1.00 0.00 O ATOM 1205 CB SER A 76 4.206 12.192 -9.010 1.00 0.00 C ATOM 1206 OG SER A 76 5.172 13.229 -9.030 1.00 0.00 O ATOM 0 H SER A 76 2.561 10.486 -8.331 1.00 0.00 H new ATOM 0 HA SER A 76 3.573 12.712 -7.022 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.690 11.244 -8.775 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.761 12.086 -9.999 1.00 0.00 H new ATOM 0 HG SER A 76 5.862 13.021 -9.694 1.00 0.00 H new ATOM 1212 N THR A 77 1.110 13.414 -8.985 1.00 0.00 N ATOM 1213 CA THR A 77 0.225 14.473 -9.453 1.00 0.00 C ATOM 1214 C THR A 77 -0.063 15.479 -8.344 1.00 0.00 C ATOM 1215 O THR A 77 0.322 16.645 -8.433 1.00 0.00 O ATOM 1216 CB THR A 77 -1.109 13.903 -9.972 1.00 0.00 C ATOM 1217 OG1 THR A 77 -0.859 12.850 -10.910 1.00 0.00 O ATOM 1218 CG2 THR A 77 -1.942 14.990 -10.632 1.00 0.00 C ATOM 0 H THR A 77 0.750 12.470 -9.126 1.00 0.00 H new ATOM 0 HA THR A 77 0.740 14.976 -10.272 1.00 0.00 H new ATOM 0 HB THR A 77 -1.665 13.508 -9.122 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.038 11.985 -10.486 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.879 14.563 -10.990 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.155 15.776 -9.907 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.390 15.411 -11.472 1.00 0.00 H new ATOM 1226 N THR A 78 -0.743 15.020 -7.297 1.00 0.00 N ATOM 1227 CA THR A 78 -1.083 15.880 -6.170 1.00 0.00 C ATOM 1228 C THR A 78 -0.769 15.198 -4.844 1.00 0.00 C ATOM 1229 O THR A 78 -0.403 15.853 -3.868 1.00 0.00 O ATOM 1230 CB THR A 78 -2.572 16.273 -6.193 1.00 0.00 C ATOM 1231 OG1 THR A 78 -2.837 17.246 -5.177 1.00 0.00 O ATOM 1232 CG2 THR A 78 -3.457 15.054 -5.978 1.00 0.00 C ATOM 0 H THR A 78 -1.069 14.058 -7.207 1.00 0.00 H new ATOM 0 HA THR A 78 -0.476 16.780 -6.265 1.00 0.00 H new ATOM 0 HB THR A 78 -2.798 16.698 -7.171 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.785 17.492 -5.199 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.504 15.356 -5.998 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.274 14.327 -6.769 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.228 14.604 -5.012 1.00 0.00 H new ATOM 1240 N VAL A 79 -0.914 13.877 -4.814 1.00 0.00 N ATOM 1241 CA VAL A 79 -0.644 13.105 -3.607 1.00 0.00 C ATOM 1242 C VAL A 79 0.845 13.098 -3.281 1.00 0.00 C ATOM 1243 O VAL A 79 1.654 12.555 -4.034 1.00 0.00 O ATOM 1244 CB VAL A 79 -1.134 11.652 -3.749 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -0.779 10.845 -2.509 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -2.633 11.618 -4.005 1.00 0.00 C ATOM 0 H VAL A 79 -1.217 13.319 -5.612 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.189 13.586 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.632 11.200 -4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.133 9.821 -2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.303 10.842 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.252 11.294 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.962 10.583 -4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.155 12.088 -3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.857 12.159 -4.925 1.00 0.00 H new ATOM 1256 N HIS A 80 1.201 13.705 -2.153 1.00 0.00 N ATOM 1257 CA HIS A 80 2.594 13.768 -1.725 1.00 0.00 C ATOM 1258 C HIS A 80 2.864 12.769 -0.604 1.00 0.00 C ATOM 1259 O HIS A 80 3.719 11.893 -0.733 1.00 0.00 O ATOM 1260 CB HIS A 80 2.943 15.182 -1.259 1.00 0.00 C ATOM 1261 CG HIS A 80 4.408 15.487 -1.317 1.00 0.00 C ATOM 1262 ND1 HIS A 80 4.907 16.769 -1.409 1.00 0.00 N ATOM 1263 CD2 HIS A 80 5.485 14.667 -1.294 1.00 0.00 C ATOM 1264 CE1 HIS A 80 6.227 16.725 -1.442 1.00 0.00 C ATOM 1265 NE2 HIS A 80 6.603 15.461 -1.373 1.00 0.00 N ATOM 0 H HIS A 80 0.544 14.160 -1.519 1.00 0.00 H new ATOM 0 HA HIS A 80 3.222 13.509 -2.577 1.00 0.00 H new ATOM 0 HB2 HIS A 80 2.406 15.902 -1.876 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.593 15.315 -0.235 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.468 13.589 -1.226 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.886 17.578 -1.513 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.567 15.128 -1.378 1.00 0.00 H new ATOM 1274 N ALA A 81 2.131 12.908 0.495 1.00 0.00 N ATOM 1275 CA ALA A 81 2.290 12.017 1.638 1.00 0.00 C ATOM 1276 C ALA A 81 1.046 11.160 1.843 1.00 0.00 C ATOM 1277 O ALA A 81 -0.077 11.665 1.835 1.00 0.00 O ATOM 1278 CB ALA A 81 2.594 12.820 2.894 1.00 0.00 C ATOM 0 H ALA A 81 1.421 13.629 0.618 1.00 0.00 H new ATOM 0 HA ALA A 81 3.128 11.350 1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.710 12.142 3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.516 13.384 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.774 13.510 3.092 1.00 0.00 H new ATOM 1284 N LEU A 82 1.253 9.860 2.027 1.00 0.00 N ATOM 1285 CA LEU A 82 0.148 8.931 2.234 1.00 0.00 C ATOM 1286 C LEU A 82 0.453 7.967 3.376 1.00 0.00 C ATOM 1287 O LEU A 82 1.559 7.435 3.473 1.00 0.00 O ATOM 1288 CB LEU A 82 -0.133 8.147 0.951 1.00 0.00 C ATOM 1289 CG LEU A 82 -0.964 6.874 1.110 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -2.271 7.175 1.825 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -1.230 6.237 -0.246 1.00 0.00 C ATOM 0 H LEU A 82 2.176 9.426 2.037 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.736 9.511 2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.646 8.807 0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.821 7.880 0.496 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.397 6.167 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.849 6.257 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.059 7.584 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.843 7.900 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.823 5.332 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.776 6.939 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.282 5.983 -0.721 1.00 0.00 H new ATOM 1303 N ALA A 83 -0.535 7.745 4.236 1.00 0.00 N ATOM 1304 CA ALA A 83 -0.373 6.841 5.368 1.00 0.00 C ATOM 1305 C ALA A 83 -0.852 5.436 5.022 1.00 0.00 C ATOM 1306 O ALA A 83 -2.012 5.090 5.252 1.00 0.00 O ATOM 1307 CB ALA A 83 -1.124 7.373 6.580 1.00 0.00 C ATOM 0 H ALA A 83 -1.456 8.179 4.171 1.00 0.00 H new ATOM 0 HA ALA A 83 0.689 6.786 5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.994 6.688 7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.732 8.354 6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.184 7.459 6.342 1.00 0.00 H new ATOM 1313 N LEU A 84 0.046 4.630 4.467 1.00 0.00 N ATOM 1314 CA LEU A 84 -0.285 3.260 4.088 1.00 0.00 C ATOM 1315 C LEU A 84 -0.382 2.363 5.318 1.00 0.00 C ATOM 1316 O LEU A 84 0.565 2.255 6.097 1.00 0.00 O ATOM 1317 CB LEU A 84 0.765 2.709 3.122 1.00 0.00 C ATOM 1318 CG LEU A 84 1.025 3.542 1.866 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.249 3.025 1.126 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.195 3.530 0.957 1.00 0.00 C ATOM 0 H LEU A 84 1.009 4.901 4.269 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.255 3.271 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.705 2.600 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.457 1.710 2.814 1.00 0.00 H new ATOM 0 HG LEU A 84 1.218 4.571 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.418 3.630 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.121 3.086 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.086 1.987 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.008 4.128 0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.419 2.505 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.049 3.949 1.489 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.533 1.719 5.484 1.00 0.00 N ATOM 1333 CA HIS A 85 -1.753 0.828 6.618 1.00 0.00 C ATOM 1334 C HIS A 85 -1.920 -0.615 6.151 1.00 0.00 C ATOM 1335 O HIS A 85 -3.040 -1.095 5.970 1.00 0.00 O ATOM 1336 CB HIS A 85 -2.987 1.267 7.407 1.00 0.00 C ATOM 1337 CG HIS A 85 -2.714 2.371 8.382 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -1.923 2.209 9.500 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -3.130 3.659 8.400 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -1.866 3.349 10.165 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -2.589 4.245 9.518 1.00 0.00 N ATOM 0 H HIS A 85 -2.327 1.797 4.848 1.00 0.00 H new ATOM 0 HA HIS A 85 -0.878 0.883 7.266 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.758 1.593 6.708 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.388 0.408 7.946 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.768 4.137 7.671 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -1.321 3.519 11.082 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -2.724 5.215 9.803 1.00 0.00 H new ATOM 1350 N THR A 86 -0.799 -1.302 5.956 1.00 0.00 N ATOM 1351 CA THR A 86 -0.821 -2.689 5.508 1.00 0.00 C ATOM 1352 C THR A 86 -1.054 -3.640 6.676 1.00 0.00 C ATOM 1353 O THR A 86 -0.480 -3.471 7.752 1.00 0.00 O ATOM 1354 CB THR A 86 0.494 -3.072 4.804 1.00 0.00 C ATOM 1355 OG1 THR A 86 1.611 -2.732 5.632 1.00 0.00 O ATOM 1356 CG2 THR A 86 0.615 -2.364 3.463 1.00 0.00 C ATOM 0 H THR A 86 0.136 -0.920 6.101 1.00 0.00 H new ATOM 0 HA THR A 86 -1.644 -2.780 4.799 1.00 0.00 H new ATOM 0 HB THR A 86 0.487 -4.148 4.630 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.331 -2.367 5.076 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.551 -2.650 2.984 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.221 -2.649 2.824 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.601 -1.285 3.619 1.00 0.00 H new ATOM 1364 N TYR A 87 -1.899 -4.642 6.458 1.00 0.00 N ATOM 1365 CA TYR A 87 -2.210 -5.620 7.494 1.00 0.00 C ATOM 1366 C TYR A 87 -2.303 -7.025 6.906 1.00 0.00 C ATOM 1367 O TYR A 87 -2.679 -7.203 5.747 1.00 0.00 O ATOM 1368 CB TYR A 87 -3.523 -5.257 8.189 1.00 0.00 C ATOM 1369 CG TYR A 87 -3.369 -4.202 9.261 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -3.123 -2.876 8.927 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -3.469 -4.530 10.607 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -2.981 -1.908 9.902 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -3.330 -3.569 11.589 1.00 0.00 C ATOM 1374 CZ TYR A 87 -3.086 -2.259 11.232 1.00 0.00 C ATOM 1375 OH TYR A 87 -2.946 -1.299 12.207 1.00 0.00 O ATOM 0 H TYR A 87 -2.381 -4.798 5.573 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.403 -5.605 8.227 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.234 -4.903 7.442 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.949 -6.156 8.634 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.041 -2.597 7.887 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.659 -5.555 10.891 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.789 -0.882 9.625 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.412 -3.842 12.631 1.00 0.00 H new ATOM 0 HH TYR A 87 -3.049 -1.712 13.090 1.00 0.00 H new ATOM 1385 N THR A 88 -1.959 -8.022 7.715 1.00 0.00 N ATOM 1386 CA THR A 88 -2.003 -9.411 7.277 1.00 0.00 C ATOM 1387 C THR A 88 -3.346 -10.050 7.609 1.00 0.00 C ATOM 1388 O THR A 88 -3.892 -9.843 8.693 1.00 0.00 O ATOM 1389 CB THR A 88 -0.879 -10.240 7.927 1.00 0.00 C ATOM 1390 OG1 THR A 88 -0.869 -10.028 9.343 1.00 0.00 O ATOM 1391 CG2 THR A 88 0.476 -9.866 7.344 1.00 0.00 C ATOM 0 H THR A 88 -1.647 -7.893 8.677 1.00 0.00 H new ATOM 0 HA THR A 88 -1.863 -9.406 6.196 1.00 0.00 H new ATOM 0 HB THR A 88 -1.069 -11.293 7.719 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.153 -10.560 9.748 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.254 -10.464 7.818 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.475 -10.057 6.271 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.671 -8.809 7.525 1.00 0.00 H new ATOM 1399 N ILE A 89 -3.875 -10.827 6.669 1.00 0.00 N ATOM 1400 CA ILE A 89 -5.154 -11.497 6.864 1.00 0.00 C ATOM 1401 C ILE A 89 -5.284 -12.033 8.286 1.00 0.00 C ATOM 1402 O ILE A 89 -6.351 -11.958 8.895 1.00 0.00 O ATOM 1403 CB ILE A 89 -5.338 -12.659 5.870 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -5.520 -12.121 4.450 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -6.527 -13.518 6.274 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -4.221 -11.969 3.690 1.00 0.00 C ATOM 0 H ILE A 89 -3.437 -11.008 5.766 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.930 -10.752 6.687 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.442 -13.280 5.890 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.178 -12.792 3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -6.019 -11.153 4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.644 -14.335 5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.359 -13.926 7.271 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.431 -12.909 6.279 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.427 -11.583 2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.568 -11.275 4.220 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.731 -12.939 3.610 1.00 0.00 H new ATOM 1418 N LYS A 90 -4.189 -12.574 8.810 1.00 0.00 N ATOM 1419 CA LYS A 90 -4.177 -13.120 10.162 1.00 0.00 C ATOM 1420 C LYS A 90 -4.291 -12.008 11.199 1.00 0.00 C ATOM 1421 O LYS A 90 -5.183 -12.026 12.046 1.00 0.00 O ATOM 1422 CB LYS A 90 -2.897 -13.924 10.398 1.00 0.00 C ATOM 1423 CG LYS A 90 -2.774 -15.148 9.508 1.00 0.00 C ATOM 1424 CD LYS A 90 -3.626 -16.297 10.020 1.00 0.00 C ATOM 1425 CE LYS A 90 -3.263 -17.607 9.338 1.00 0.00 C ATOM 1426 NZ LYS A 90 -2.086 -18.258 9.977 1.00 0.00 N ATOM 0 H LYS A 90 -3.298 -12.646 8.319 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.038 -13.780 10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.036 -13.277 10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.863 -14.239 11.441 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.078 -14.893 8.493 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.731 -15.461 9.460 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.494 -16.398 11.097 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.679 -16.075 9.848 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.117 -18.284 9.374 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.048 -17.421 8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.871 -19.148 9.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.264 -17.623 9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.300 -18.459 10.975 1.00 0.00 H new ATOM 1440 N GLU A 91 -3.382 -11.041 11.125 1.00 0.00 N ATOM 1441 CA GLU A 91 -3.382 -9.920 12.059 1.00 0.00 C ATOM 1442 C GLU A 91 -4.760 -9.269 12.127 1.00 0.00 C ATOM 1443 O GLU A 91 -5.287 -9.019 13.211 1.00 0.00 O ATOM 1444 CB GLU A 91 -2.335 -8.883 11.645 1.00 0.00 C ATOM 1445 CG GLU A 91 -0.915 -9.268 12.021 1.00 0.00 C ATOM 1446 CD GLU A 91 -0.572 -8.908 13.454 1.00 0.00 C ATOM 1447 OE1 GLU A 91 -1.075 -9.588 14.373 1.00 0.00 O ATOM 1448 OE2 GLU A 91 0.197 -7.945 13.657 1.00 0.00 O ATOM 0 H GLU A 91 -2.637 -11.011 10.429 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.132 -10.304 13.048 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.389 -8.736 10.566 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.579 -7.928 12.110 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.784 -10.341 11.879 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.217 -8.769 11.348 1.00 0.00 H new ATOM 1455 N TRP A 92 -5.337 -8.997 10.963 1.00 0.00 N ATOM 1456 CA TRP A 92 -6.654 -8.374 10.890 1.00 0.00 C ATOM 1457 C TRP A 92 -7.732 -9.316 11.415 1.00 0.00 C ATOM 1458 O TRP A 92 -8.582 -8.918 12.211 1.00 0.00 O ATOM 1459 CB TRP A 92 -6.971 -7.971 9.448 1.00 0.00 C ATOM 1460 CG TRP A 92 -7.969 -6.857 9.349 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -9.100 -6.836 8.583 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -7.926 -5.603 10.039 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -9.761 -5.644 8.755 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -9.062 -4.871 9.643 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -7.039 -5.028 10.953 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -9.331 -3.594 10.130 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -7.307 -3.762 11.435 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -8.446 -3.056 11.024 1.00 0.00 C ATOM 0 H TRP A 92 -4.914 -9.198 10.057 1.00 0.00 H new ATOM 0 HA TRP A 92 -6.641 -7.482 11.516 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -6.049 -7.668 8.952 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.352 -8.840 8.911 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.426 -7.638 7.938 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -10.632 -5.378 8.295 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -6.159 -5.564 11.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -10.207 -3.048 9.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.627 -3.308 12.141 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -8.629 -2.068 11.421 1.00 0.00 H new ATOM 1479 N GLU A 93 -7.690 -10.567 10.965 1.00 0.00 N ATOM 1480 CA GLU A 93 -8.664 -11.564 11.392 1.00 0.00 C ATOM 1481 C GLU A 93 -9.032 -11.373 12.860 1.00 0.00 C ATOM 1482 O GLU A 93 -10.196 -11.493 13.241 1.00 0.00 O ATOM 1483 CB GLU A 93 -8.113 -12.974 11.172 1.00 0.00 C ATOM 1484 CG GLU A 93 -8.445 -13.552 9.806 1.00 0.00 C ATOM 1485 CD GLU A 93 -9.755 -14.317 9.800 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -9.933 -15.195 10.670 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -10.601 -14.039 8.924 1.00 0.00 O ATOM 0 H GLU A 93 -6.993 -10.913 10.306 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.564 -11.435 10.791 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.030 -12.955 11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.510 -13.634 11.943 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.497 -12.744 9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.640 -14.215 9.490 1.00 0.00 H new ATOM 1494 N GLY A 94 -8.030 -11.074 13.681 1.00 0.00 N ATOM 1495 CA GLY A 94 -8.267 -10.872 15.099 1.00 0.00 C ATOM 1496 C GLY A 94 -7.159 -10.080 15.764 1.00 0.00 C ATOM 1497 O GLY A 94 -6.562 -10.533 16.742 1.00 0.00 O ATOM 0 H GLY A 94 -7.058 -10.968 13.390 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.214 -10.351 15.235 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.362 -11.840 15.590 1.00 0.00 H new