USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 664 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 45 LYS NZ :NH3+ 173:sc= 0.0105 (180deg=0) USER MOD Set 1.2: A 46 THR OG1 : rot -150:sc= -0.861 USER MOD Set 2.1: A 8 THR OG1 : rot 121:sc= 1.29 USER MOD Set 2.2: A 73 ASN : amide:sc= -0.0436 K(o=2.8,f=-2!) USER MOD Set 2.3: A 92 THR OG1 : rot 117:sc= 1.52 USER MOD Single : A 6 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-2.9!) USER MOD Single : A 10 GLN : amide:sc= -6.28! C(o=-6.3!,f=-12!) USER MOD Single : A 15 CYS SG : rot -130:sc= -2.82 USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00642) USER MOD Single : A 22 GLN : amide:sc= -0.513 K(o=-0.51,f=-4.3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0257 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 35 THR OG1 : rot 23:sc= 0.232 USER MOD Single : A 36 ASN : amide:sc= -0.835 K(o=-0.84,f=-2.4!) USER MOD Single : A 38 ASN : amide:sc= -0.846 K(o=-0.85,f=-4.1!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -166:sc= -4.64! (180deg=-5.28!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 130:sc= 0.0369 USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 6 -4.203 13.799 -4.079 1.00 0.00 N ATOM 78 CA HIS A 6 -4.898 12.615 -4.584 1.00 0.00 C ATOM 79 C HIS A 6 -3.948 11.423 -4.656 1.00 0.00 C ATOM 80 O HIS A 6 -3.126 11.328 -5.568 1.00 0.00 O ATOM 81 CB HIS A 6 -5.495 12.893 -5.971 1.00 0.00 C ATOM 82 CG HIS A 6 -6.941 13.291 -5.942 1.00 0.00 C ATOM 83 ND1 HIS A 6 -7.846 12.796 -5.024 1.00 0.00 N ATOM 84 CD2 HIS A 6 -7.638 14.140 -6.733 1.00 0.00 C ATOM 85 CE1 HIS A 6 -9.035 13.321 -5.255 1.00 0.00 C ATOM 86 NE2 HIS A 6 -8.935 14.141 -6.284 1.00 0.00 N ATOM 0 HA HIS A 6 -5.707 12.376 -3.893 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -4.920 13.685 -6.451 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -5.386 12.001 -6.588 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.247 14.710 -7.563 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.936 13.115 -4.697 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.699 14.688 -6.682 1.00 0.00 H new ATOM 95 N ILE A 7 -4.058 10.516 -3.684 1.00 0.00 N ATOM 96 CA ILE A 7 -3.201 9.335 -3.644 1.00 0.00 C ATOM 97 C ILE A 7 -3.844 8.164 -4.379 1.00 0.00 C ATOM 98 O ILE A 7 -4.976 7.779 -4.082 1.00 0.00 O ATOM 99 CB ILE A 7 -2.874 8.912 -2.190 1.00 0.00 C ATOM 100 CG1 ILE A 7 -1.862 9.880 -1.573 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.335 7.484 -2.144 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.490 11.128 -0.989 1.00 0.00 C ATOM 0 H ILE A 7 -4.729 10.578 -2.918 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.271 9.605 -4.144 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.796 8.946 -1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.308 9.362 -0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.139 10.171 -2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.113 7.212 -1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.082 6.800 -2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.425 7.419 -2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.711 11.765 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.020 11.670 -1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.192 10.849 -0.203 1.00 0.00 H new ATOM 114 N THR A 8 -3.106 7.595 -5.330 1.00 0.00 N ATOM 115 CA THR A 8 -3.593 6.458 -6.104 1.00 0.00 C ATOM 116 C THR A 8 -3.306 5.154 -5.365 1.00 0.00 C ATOM 117 O THR A 8 -2.205 4.606 -5.458 1.00 0.00 O ATOM 118 CB THR A 8 -2.937 6.421 -7.488 1.00 0.00 C ATOM 119 OG1 THR A 8 -2.574 7.722 -7.921 1.00 0.00 O ATOM 120 CG2 THR A 8 -3.821 5.808 -8.553 1.00 0.00 C ATOM 0 H THR A 8 -2.167 7.904 -5.582 1.00 0.00 H new ATOM 0 HA THR A 8 -4.670 6.571 -6.230 1.00 0.00 H new ATOM 0 HB THR A 8 -2.054 5.794 -7.365 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.608 7.755 -8.083 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.296 5.813 -9.508 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.064 4.782 -8.278 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.740 6.388 -8.641 1.00 0.00 H new ATOM 128 N VAL A 9 -4.298 4.662 -4.628 1.00 0.00 N ATOM 129 CA VAL A 9 -4.147 3.425 -3.873 1.00 0.00 C ATOM 130 C VAL A 9 -5.090 2.340 -4.392 1.00 0.00 C ATOM 131 O VAL A 9 -6.300 2.385 -4.156 1.00 0.00 O ATOM 132 CB VAL A 9 -4.391 3.651 -2.361 1.00 0.00 C ATOM 133 CG1 VAL A 9 -5.804 4.162 -2.100 1.00 0.00 C ATOM 134 CG2 VAL A 9 -4.119 2.373 -1.577 1.00 0.00 C ATOM 0 H VAL A 9 -5.214 5.102 -4.539 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.119 3.091 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.695 4.417 -2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.945 4.311 -1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.951 5.108 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.528 3.432 -2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.296 2.552 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.783 1.583 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.083 2.069 -1.726 1.00 0.00 H new ATOM 144 N GLN A 10 -4.530 1.363 -5.101 1.00 0.00 N ATOM 145 CA GLN A 10 -5.326 0.266 -5.646 1.00 0.00 C ATOM 146 C GLN A 10 -4.635 -1.079 -5.439 1.00 0.00 C ATOM 147 O GLN A 10 -3.413 -1.151 -5.301 1.00 0.00 O ATOM 148 CB GLN A 10 -5.617 0.484 -7.135 1.00 0.00 C ATOM 149 CG GLN A 10 -4.432 0.997 -7.935 1.00 0.00 C ATOM 150 CD GLN A 10 -4.496 2.491 -8.160 1.00 0.00 C ATOM 151 OE1 GLN A 10 -3.816 3.257 -7.484 1.00 0.00 O ATOM 152 NE2 GLN A 10 -5.321 2.911 -9.115 1.00 0.00 N ATOM 0 H GLN A 10 -3.533 1.308 -5.311 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.272 0.252 -5.104 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.953 -0.458 -7.569 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.440 1.192 -7.233 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.508 0.750 -7.411 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.399 0.488 -8.898 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.866 2.236 -9.651 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.408 3.908 -9.311 1.00 0.00 H new ATOM 161 N PHE A 11 -5.436 -2.140 -5.420 1.00 0.00 N ATOM 162 CA PHE A 11 -4.926 -3.492 -5.232 1.00 0.00 C ATOM 163 C PHE A 11 -5.246 -4.363 -6.442 1.00 0.00 C ATOM 164 O PHE A 11 -6.347 -4.296 -6.994 1.00 0.00 O ATOM 165 CB PHE A 11 -5.528 -4.117 -3.972 1.00 0.00 C ATOM 166 CG PHE A 11 -5.383 -3.260 -2.744 1.00 0.00 C ATOM 167 CD1 PHE A 11 -4.169 -3.170 -2.082 1.00 0.00 C ATOM 168 CD2 PHE A 11 -6.464 -2.542 -2.257 1.00 0.00 C ATOM 169 CE1 PHE A 11 -4.034 -2.376 -0.958 1.00 0.00 C ATOM 170 CE2 PHE A 11 -6.335 -1.749 -1.133 1.00 0.00 C ATOM 171 CZ PHE A 11 -5.120 -1.666 -0.482 1.00 0.00 C ATOM 0 H PHE A 11 -6.448 -2.087 -5.534 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.843 -3.433 -5.120 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.586 -4.313 -4.144 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.050 -5.080 -3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.319 -3.726 -2.448 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.417 -2.603 -2.761 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.082 -2.311 -0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.185 -1.194 -0.763 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.019 -1.047 0.397 1.00 0.00 H new ATOM 181 N ALA A 12 -4.280 -5.179 -6.844 1.00 0.00 N ATOM 182 CA ALA A 12 -4.453 -6.073 -7.986 1.00 0.00 C ATOM 183 C ALA A 12 -4.966 -7.441 -7.543 1.00 0.00 C ATOM 184 O ALA A 12 -5.198 -7.670 -6.354 1.00 0.00 O ATOM 185 CB ALA A 12 -3.142 -6.218 -8.745 1.00 0.00 C ATOM 0 H ALA A 12 -3.366 -5.242 -6.396 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.198 -5.634 -8.649 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.285 -6.887 -9.594 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.819 -5.241 -9.104 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.381 -6.630 -8.082 1.00 0.00 H new ATOM 191 N GLY A 13 -5.133 -8.346 -8.510 1.00 0.00 N ATOM 192 CA GLY A 13 -5.611 -9.686 -8.211 1.00 0.00 C ATOM 193 C GLY A 13 -4.714 -10.423 -7.232 1.00 0.00 C ATOM 194 O GLY A 13 -3.696 -10.995 -7.628 1.00 0.00 O ATOM 0 H GLY A 13 -4.944 -8.172 -9.497 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.618 -9.625 -7.799 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.679 -10.258 -9.136 1.00 0.00 H new ATOM 198 N GLY A 14 -5.089 -10.401 -5.954 1.00 0.00 N ATOM 199 CA GLY A 14 -4.300 -11.067 -4.929 1.00 0.00 C ATOM 200 C GLY A 14 -4.176 -10.244 -3.655 1.00 0.00 C ATOM 201 O GLY A 14 -4.113 -10.801 -2.558 1.00 0.00 O ATOM 0 H GLY A 14 -5.927 -9.933 -5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.756 -12.028 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.304 -11.275 -5.321 1.00 0.00 H new ATOM 205 N CYS A 15 -4.137 -8.917 -3.800 1.00 0.00 N ATOM 206 CA CYS A 15 -4.015 -8.016 -2.650 1.00 0.00 C ATOM 207 C CYS A 15 -5.305 -7.225 -2.392 1.00 0.00 C ATOM 208 O CYS A 15 -5.314 -6.305 -1.572 1.00 0.00 O ATOM 209 CB CYS A 15 -2.847 -7.050 -2.867 1.00 0.00 C ATOM 210 SG CYS A 15 -1.615 -7.077 -1.545 1.00 0.00 S ATOM 0 H CYS A 15 -4.188 -8.442 -4.701 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.829 -8.633 -1.771 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.358 -7.293 -3.810 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.239 -6.038 -2.963 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.371 -5.861 -1.154 1.00 0.00 H new ATOM 216 N GLU A 16 -6.386 -7.577 -3.089 1.00 0.00 N ATOM 217 CA GLU A 16 -7.665 -6.887 -2.921 1.00 0.00 C ATOM 218 C GLU A 16 -8.450 -7.447 -1.735 1.00 0.00 C ATOM 219 O GLU A 16 -9.112 -6.699 -1.011 1.00 0.00 O ATOM 220 CB GLU A 16 -8.498 -7.012 -4.196 1.00 0.00 C ATOM 221 CG GLU A 16 -8.035 -6.104 -5.321 1.00 0.00 C ATOM 222 CD GLU A 16 -8.758 -6.384 -6.624 1.00 0.00 C ATOM 223 OE1 GLU A 16 -10.003 -6.276 -6.652 1.00 0.00 O ATOM 224 OE2 GLU A 16 -8.078 -6.716 -7.618 1.00 0.00 O ATOM 0 H GLU A 16 -6.402 -8.333 -3.773 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.454 -5.836 -2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.467 -8.046 -4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.538 -6.785 -3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.196 -5.065 -5.035 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.963 -6.231 -5.469 1.00 0.00 H new ATOM 231 N LEU A 17 -8.374 -8.763 -1.541 1.00 0.00 N ATOM 232 CA LEU A 17 -9.083 -9.424 -0.443 1.00 0.00 C ATOM 233 C LEU A 17 -8.485 -9.073 0.926 1.00 0.00 C ATOM 234 O LEU A 17 -9.022 -9.477 1.957 1.00 0.00 O ATOM 235 CB LEU A 17 -9.065 -10.945 -0.636 1.00 0.00 C ATOM 236 CG LEU A 17 -9.547 -11.437 -2.003 1.00 0.00 C ATOM 237 CD1 LEU A 17 -8.365 -11.748 -2.912 1.00 0.00 C ATOM 238 CD2 LEU A 17 -10.441 -12.660 -1.843 1.00 0.00 C ATOM 0 H LEU A 17 -7.829 -9.394 -2.129 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.111 -9.062 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.048 -11.303 -0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.687 -11.400 0.135 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.131 -10.643 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.731 -12.096 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.768 -10.847 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.750 -12.524 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.775 -12.997 -2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.881 -13.459 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.307 -12.400 -1.234 1.00 0.00 H new ATOM 250 N LEU A 18 -7.380 -8.320 0.942 1.00 0.00 N ATOM 251 CA LEU A 18 -6.736 -7.937 2.200 1.00 0.00 C ATOM 252 C LEU A 18 -7.305 -6.623 2.759 1.00 0.00 C ATOM 253 O LEU A 18 -6.719 -6.027 3.665 1.00 0.00 O ATOM 254 CB LEU A 18 -5.219 -7.812 2.015 1.00 0.00 C ATOM 255 CG LEU A 18 -4.585 -8.811 1.038 1.00 0.00 C ATOM 256 CD1 LEU A 18 -3.075 -8.626 0.993 1.00 0.00 C ATOM 257 CD2 LEU A 18 -4.938 -10.241 1.426 1.00 0.00 C ATOM 0 H LEU A 18 -6.917 -7.967 0.105 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.946 -8.727 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.995 -6.802 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.742 -7.930 2.988 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.986 -8.619 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.641 -9.342 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.842 -7.613 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.659 -8.790 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.479 -10.933 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.568 -10.447 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.020 -10.367 1.405 1.00 0.00 H new ATOM 269 N PHE A 19 -8.446 -6.174 2.223 1.00 0.00 N ATOM 270 CA PHE A 19 -9.076 -4.936 2.680 1.00 0.00 C ATOM 271 C PHE A 19 -10.591 -5.047 2.584 1.00 0.00 C ATOM 272 O PHE A 19 -11.292 -4.975 3.594 1.00 0.00 O ATOM 273 CB PHE A 19 -8.575 -3.748 1.849 1.00 0.00 C ATOM 274 CG PHE A 19 -8.804 -2.412 2.499 1.00 0.00 C ATOM 275 CD1 PHE A 19 -7.935 -1.943 3.472 1.00 0.00 C ATOM 276 CD2 PHE A 19 -9.883 -1.622 2.132 1.00 0.00 C ATOM 277 CE1 PHE A 19 -8.141 -0.713 4.068 1.00 0.00 C ATOM 278 CE2 PHE A 19 -10.091 -0.391 2.725 1.00 0.00 C ATOM 279 CZ PHE A 19 -9.219 0.066 3.692 1.00 0.00 C ATOM 0 H PHE A 19 -8.949 -6.650 1.474 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.806 -4.771 3.723 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.508 -3.872 1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.073 -3.760 0.879 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.088 -2.545 3.767 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.568 -1.973 1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.459 -0.360 4.828 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.936 0.214 2.431 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.378 1.029 4.154 1.00 0.00 H new ATOM 289 N ALA A 20 -11.087 -5.232 1.363 1.00 0.00 N ATOM 290 CA ALA A 20 -12.522 -5.367 1.122 1.00 0.00 C ATOM 291 C ALA A 20 -12.810 -5.617 -0.360 1.00 0.00 C ATOM 292 O ALA A 20 -13.806 -5.128 -0.898 1.00 0.00 O ATOM 293 CB ALA A 20 -13.257 -4.122 1.607 1.00 0.00 C ATOM 0 H ALA A 20 -10.514 -5.292 0.521 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.883 -6.229 1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.325 -4.235 1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.086 -3.991 2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.886 -3.249 1.071 1.00 0.00 H new ATOM 299 N LYS A 21 -11.929 -6.380 -1.020 1.00 0.00 N ATOM 300 CA LYS A 21 -12.080 -6.689 -2.445 1.00 0.00 C ATOM 301 C LYS A 21 -12.315 -5.412 -3.257 1.00 0.00 C ATOM 302 O LYS A 21 -13.028 -5.423 -4.264 1.00 0.00 O ATOM 303 CB LYS A 21 -13.229 -7.683 -2.662 1.00 0.00 C ATOM 304 CG LYS A 21 -13.217 -8.852 -1.690 1.00 0.00 C ATOM 305 CD LYS A 21 -14.058 -8.561 -0.454 1.00 0.00 C ATOM 306 CE LYS A 21 -15.147 -9.607 -0.262 1.00 0.00 C ATOM 307 NZ LYS A 21 -16.186 -9.537 -1.328 1.00 0.00 N ATOM 0 H LYS A 21 -11.103 -6.795 -0.588 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.155 -7.149 -2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.178 -7.154 -2.569 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.177 -8.068 -3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.597 -9.744 -2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.191 -9.067 -1.391 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.416 -8.536 0.427 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.512 -7.574 -0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.698 -10.600 -0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.617 -9.466 0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.967 -10.184 -1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.550 -8.565 -1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.768 -9.814 -2.239 1.00 0.00 H new ATOM 321 N GLN A 22 -11.703 -4.310 -2.811 1.00 0.00 N ATOM 322 CA GLN A 22 -11.840 -3.025 -3.489 1.00 0.00 C ATOM 323 C GLN A 22 -10.917 -2.953 -4.699 1.00 0.00 C ATOM 324 O GLN A 22 -10.115 -3.858 -4.932 1.00 0.00 O ATOM 325 CB GLN A 22 -11.532 -1.872 -2.525 1.00 0.00 C ATOM 326 CG GLN A 22 -12.758 -1.342 -1.797 1.00 0.00 C ATOM 327 CD GLN A 22 -13.689 -0.552 -2.702 1.00 0.00 C ATOM 328 OE1 GLN A 22 -13.688 -0.725 -3.922 1.00 0.00 O ATOM 329 NE2 GLN A 22 -14.494 0.325 -2.108 1.00 0.00 N ATOM 0 H GLN A 22 -11.108 -4.286 -1.983 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.871 -2.931 -3.831 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.801 -2.210 -1.790 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.070 -1.057 -3.082 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.306 -2.178 -1.362 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.437 -0.707 -0.971 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.465 0.439 -1.095 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.140 0.883 -2.666 1.00 0.00 H new ATOM 338 N THR A 23 -11.031 -1.874 -5.469 1.00 0.00 N ATOM 339 CA THR A 23 -10.200 -1.698 -6.653 1.00 0.00 C ATOM 340 C THR A 23 -9.191 -0.566 -6.453 1.00 0.00 C ATOM 341 O THR A 23 -7.992 -0.818 -6.344 1.00 0.00 O ATOM 342 CB THR A 23 -11.073 -1.440 -7.889 1.00 0.00 C ATOM 343 OG1 THR A 23 -11.852 -0.266 -7.723 1.00 0.00 O ATOM 344 CG2 THR A 23 -12.028 -2.576 -8.197 1.00 0.00 C ATOM 0 H THR A 23 -11.687 -1.113 -5.294 1.00 0.00 H new ATOM 0 HA THR A 23 -9.639 -2.619 -6.814 1.00 0.00 H new ATOM 0 HB THR A 23 -10.371 -1.336 -8.716 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.399 -0.120 -8.523 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.614 -2.329 -9.082 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.461 -3.488 -8.381 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.697 -2.729 -7.350 1.00 0.00 H new ATOM 352 N SER A 24 -9.679 0.675 -6.403 1.00 0.00 N ATOM 353 CA SER A 24 -8.806 1.834 -6.215 1.00 0.00 C ATOM 354 C SER A 24 -9.456 2.879 -5.306 1.00 0.00 C ATOM 355 O SER A 24 -10.669 2.856 -5.088 1.00 0.00 O ATOM 356 CB SER A 24 -8.460 2.463 -7.569 1.00 0.00 C ATOM 357 OG SER A 24 -9.573 3.151 -8.117 1.00 0.00 O ATOM 0 H SER A 24 -10.670 0.902 -6.490 1.00 0.00 H new ATOM 0 HA SER A 24 -7.891 1.488 -5.735 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.626 3.154 -7.449 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.133 1.686 -8.260 1.00 0.00 H new ATOM 0 HG SER A 24 -9.323 3.543 -8.979 1.00 0.00 H new ATOM 363 N LEU A 25 -8.637 3.795 -4.785 1.00 0.00 N ATOM 364 CA LEU A 25 -9.129 4.852 -3.901 1.00 0.00 C ATOM 365 C LEU A 25 -8.265 6.111 -4.007 1.00 0.00 C ATOM 366 O LEU A 25 -7.155 6.072 -4.540 1.00 0.00 O ATOM 367 CB LEU A 25 -9.154 4.361 -2.452 1.00 0.00 C ATOM 368 CG LEU A 25 -10.492 3.780 -1.985 1.00 0.00 C ATOM 369 CD1 LEU A 25 -10.275 2.492 -1.206 1.00 0.00 C ATOM 370 CD2 LEU A 25 -11.252 4.796 -1.142 1.00 0.00 C ATOM 0 H LEU A 25 -7.633 3.826 -4.960 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.142 5.105 -4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.383 3.600 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.889 5.192 -1.799 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.091 3.549 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.238 2.095 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.777 1.761 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.655 2.695 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.200 4.365 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.658 5.061 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.443 5.690 -1.735 1.00 0.00 H new ATOM 382 N GLN A 26 -8.785 7.227 -3.487 1.00 0.00 N ATOM 383 CA GLN A 26 -8.070 8.500 -3.513 1.00 0.00 C ATOM 384 C GLN A 26 -8.033 9.126 -2.121 1.00 0.00 C ATOM 385 O GLN A 26 -9.014 9.722 -1.671 1.00 0.00 O ATOM 386 CB GLN A 26 -8.733 9.462 -4.503 1.00 0.00 C ATOM 387 CG GLN A 26 -7.992 9.580 -5.826 1.00 0.00 C ATOM 388 CD GLN A 26 -8.747 8.938 -6.974 1.00 0.00 C ATOM 389 OE1 GLN A 26 -8.754 7.714 -7.120 1.00 0.00 O ATOM 390 NE2 GLN A 26 -9.389 9.759 -7.797 1.00 0.00 N ATOM 0 H GLN A 26 -9.702 7.271 -3.042 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.046 8.310 -3.836 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.752 9.127 -4.696 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.803 10.449 -4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.822 10.633 -6.051 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.012 9.112 -5.733 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.357 10.766 -7.640 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.914 9.382 -8.586 1.00 0.00 H new ATOM 399 N LEU A 27 -6.895 8.984 -1.443 1.00 0.00 N ATOM 400 CA LEU A 27 -6.733 9.536 -0.100 1.00 0.00 C ATOM 401 C LEU A 27 -6.353 11.013 -0.166 1.00 0.00 C ATOM 402 O LEU A 27 -5.586 11.427 -1.038 1.00 0.00 O ATOM 403 CB LEU A 27 -5.668 8.754 0.674 1.00 0.00 C ATOM 404 CG LEU A 27 -5.987 7.273 0.906 1.00 0.00 C ATOM 405 CD1 LEU A 27 -4.706 6.461 1.012 1.00 0.00 C ATOM 406 CD2 LEU A 27 -6.838 7.100 2.157 1.00 0.00 C ATOM 0 H LEU A 27 -6.075 8.493 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.685 9.446 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.724 8.826 0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.520 9.233 1.642 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.555 6.905 0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.953 5.412 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.136 6.559 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.110 6.829 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.055 6.042 2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.297 7.485 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.772 7.649 2.040 1.00 0.00 H new ATOM 504 N THR A 35 5.843 10.897 6.316 1.00 0.00 N ATOM 505 CA THR A 35 5.264 9.557 6.272 1.00 0.00 C ATOM 506 C THR A 35 5.768 8.795 5.049 1.00 0.00 C ATOM 507 O THR A 35 5.823 9.342 3.947 1.00 0.00 O ATOM 508 CB THR A 35 3.734 9.635 6.250 1.00 0.00 C ATOM 509 OG1 THR A 35 3.257 10.549 7.226 1.00 0.00 O ATOM 510 CG2 THR A 35 3.062 8.301 6.502 1.00 0.00 C ATOM 0 HA THR A 35 5.575 9.021 7.169 1.00 0.00 H new ATOM 0 HB THR A 35 3.480 9.968 5.244 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.966 11.188 7.450 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.980 8.428 6.473 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.365 7.590 5.733 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.357 7.924 7.481 1.00 0.00 H new ATOM 518 N ASN A 36 6.138 7.532 5.256 1.00 0.00 N ATOM 519 CA ASN A 36 6.645 6.685 4.177 1.00 0.00 C ATOM 520 C ASN A 36 5.659 5.563 3.854 1.00 0.00 C ATOM 521 O ASN A 36 4.568 5.503 4.425 1.00 0.00 O ATOM 522 CB ASN A 36 8.015 6.102 4.559 1.00 0.00 C ATOM 523 CG ASN A 36 8.040 5.512 5.961 1.00 0.00 C ATOM 524 OD1 ASN A 36 7.843 6.221 6.949 1.00 0.00 O ATOM 525 ND2 ASN A 36 8.289 4.210 6.057 1.00 0.00 N ATOM 0 H ASN A 36 6.096 7.071 6.165 1.00 0.00 H new ATOM 0 HA ASN A 36 6.761 7.300 3.285 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.288 5.329 3.841 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.770 6.885 4.487 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.322 3.763 6.973 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.447 3.657 5.214 1.00 0.00 H new ATOM 532 N LEU A 37 6.046 4.677 2.933 1.00 0.00 N ATOM 533 CA LEU A 37 5.190 3.559 2.532 1.00 0.00 C ATOM 534 C LEU A 37 4.748 2.731 3.736 1.00 0.00 C ATOM 535 O LEU A 37 3.607 2.269 3.788 1.00 0.00 O ATOM 536 CB LEU A 37 5.916 2.665 1.528 1.00 0.00 C ATOM 537 CG LEU A 37 5.031 1.629 0.833 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.452 1.461 -0.621 1.00 0.00 C ATOM 539 CD2 LEU A 37 5.080 0.297 1.573 1.00 0.00 C ATOM 0 H LEU A 37 6.945 4.712 2.452 1.00 0.00 H new ATOM 0 HA LEU A 37 4.300 3.979 2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.377 3.296 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.723 2.145 2.044 1.00 0.00 H new ATOM 0 HG LEU A 37 4.001 1.985 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.813 0.720 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.356 2.415 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.489 1.127 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.444 -0.426 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.106 -0.071 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.725 0.435 2.594 1.00 0.00 H new ATOM 551 N ASN A 38 5.649 2.552 4.704 1.00 0.00 N ATOM 552 CA ASN A 38 5.331 1.789 5.909 1.00 0.00 C ATOM 553 C ASN A 38 4.130 2.408 6.617 1.00 0.00 C ATOM 554 O ASN A 38 3.291 1.700 7.176 1.00 0.00 O ATOM 555 CB ASN A 38 6.533 1.739 6.854 1.00 0.00 C ATOM 556 CG ASN A 38 6.387 0.660 7.911 1.00 0.00 C ATOM 557 OD1 ASN A 38 6.099 -0.494 7.598 1.00 0.00 O ATOM 558 ND2 ASN A 38 6.584 1.028 9.172 1.00 0.00 N ATOM 0 H ASN A 38 6.599 2.923 4.676 1.00 0.00 H new ATOM 0 HA ASN A 38 5.085 0.768 5.616 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.440 1.559 6.276 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.651 2.707 7.340 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.498 0.343 9.923 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.821 1.996 9.390 1.00 0.00 H new ATOM 565 N GLY A 39 4.042 3.738 6.560 1.00 0.00 N ATOM 566 CA GLY A 39 2.928 4.436 7.165 1.00 0.00 C ATOM 567 C GLY A 39 1.655 4.261 6.358 1.00 0.00 C ATOM 568 O GLY A 39 0.562 4.205 6.922 1.00 0.00 O ATOM 0 H GLY A 39 4.727 4.341 6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.772 4.064 8.178 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.164 5.497 7.248 1.00 0.00 H new ATOM 572 N LEU A 40 1.801 4.158 5.032 1.00 0.00 N ATOM 573 CA LEU A 40 0.656 3.973 4.145 1.00 0.00 C ATOM 574 C LEU A 40 -0.018 2.630 4.414 1.00 0.00 C ATOM 575 O LEU A 40 -1.228 2.568 4.652 1.00 0.00 O ATOM 576 CB LEU A 40 1.093 4.051 2.677 1.00 0.00 C ATOM 577 CG LEU A 40 1.025 5.445 2.048 1.00 0.00 C ATOM 578 CD1 LEU A 40 1.883 5.509 0.790 1.00 0.00 C ATOM 579 CD2 LEU A 40 -0.420 5.816 1.734 1.00 0.00 C ATOM 0 H LEU A 40 2.701 4.200 4.554 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.058 4.772 4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.117 3.685 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.468 3.376 2.093 1.00 0.00 H new ATOM 0 HG LEU A 40 1.418 6.167 2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.821 6.508 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.919 5.287 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.523 4.778 0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.452 6.810 1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.838 5.091 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.005 5.813 2.654 1.00 0.00 H new ATOM 591 N VAL A 41 0.775 1.558 4.382 1.00 0.00 N ATOM 592 CA VAL A 41 0.256 0.212 4.630 1.00 0.00 C ATOM 593 C VAL A 41 -0.416 0.128 5.996 1.00 0.00 C ATOM 594 O VAL A 41 -1.589 -0.224 6.092 1.00 0.00 O ATOM 595 CB VAL A 41 1.347 -0.884 4.532 1.00 0.00 C ATOM 596 CG1 VAL A 41 1.481 -1.370 3.098 1.00 0.00 C ATOM 597 CG2 VAL A 41 2.690 -0.398 5.065 1.00 0.00 C ATOM 0 H VAL A 41 1.776 1.595 4.188 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.476 0.026 3.844 1.00 0.00 H new ATOM 0 HB VAL A 41 1.034 -1.719 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.251 -2.140 3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.530 -1.785 2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.758 -0.535 2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.427 -1.197 4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.020 0.465 4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.585 -0.114 6.112 1.00 0.00 H new ATOM 607 N GLN A 42 0.329 0.462 7.051 1.00 0.00 N ATOM 608 CA GLN A 42 -0.200 0.434 8.415 1.00 0.00 C ATOM 609 C GLN A 42 -1.543 1.164 8.511 1.00 0.00 C ATOM 610 O GLN A 42 -2.393 0.811 9.331 1.00 0.00 O ATOM 611 CB GLN A 42 0.809 1.061 9.383 1.00 0.00 C ATOM 612 CG GLN A 42 0.427 0.917 10.849 1.00 0.00 C ATOM 613 CD GLN A 42 1.634 0.929 11.769 1.00 0.00 C ATOM 614 OE1 GLN A 42 2.565 1.712 11.583 1.00 0.00 O ATOM 615 NE2 GLN A 42 1.625 0.057 12.772 1.00 0.00 N ATOM 0 H GLN A 42 1.304 0.756 6.986 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.365 -0.608 8.689 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.784 0.601 9.225 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.914 2.120 9.147 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.246 1.728 11.127 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.122 -0.014 10.988 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.833 -0.575 12.891 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.410 0.020 13.423 1.00 0.00 H new ATOM 624 N LEU A 43 -1.728 2.183 7.671 1.00 0.00 N ATOM 625 CA LEU A 43 -2.964 2.963 7.663 1.00 0.00 C ATOM 626 C LEU A 43 -4.145 2.162 7.101 1.00 0.00 C ATOM 627 O LEU A 43 -5.287 2.385 7.499 1.00 0.00 O ATOM 628 CB LEU A 43 -2.772 4.249 6.851 1.00 0.00 C ATOM 629 CG LEU A 43 -3.437 5.494 7.439 1.00 0.00 C ATOM 630 CD1 LEU A 43 -2.684 5.974 8.672 1.00 0.00 C ATOM 631 CD2 LEU A 43 -3.513 6.600 6.394 1.00 0.00 C ATOM 0 H LEU A 43 -1.036 2.487 6.987 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.197 3.215 8.697 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.704 4.440 6.750 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.163 4.088 5.846 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.452 5.232 7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.173 6.861 9.075 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.681 5.187 9.426 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.657 6.219 8.399 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.989 7.479 6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.507 6.858 6.064 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.098 6.255 5.541 1.00 0.00 H new ATOM 643 N LEU A 44 -3.877 1.242 6.169 1.00 0.00 N ATOM 644 CA LEU A 44 -4.939 0.434 5.563 1.00 0.00 C ATOM 645 C LEU A 44 -5.078 -0.942 6.228 1.00 0.00 C ATOM 646 O LEU A 44 -6.195 -1.410 6.453 1.00 0.00 O ATOM 647 CB LEU A 44 -4.713 0.274 4.052 1.00 0.00 C ATOM 648 CG LEU A 44 -3.582 -0.680 3.637 1.00 0.00 C ATOM 649 CD1 LEU A 44 -4.113 -2.095 3.436 1.00 0.00 C ATOM 650 CD2 LEU A 44 -2.905 -0.180 2.369 1.00 0.00 C ATOM 0 H LEU A 44 -2.940 1.039 5.820 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.873 0.971 5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.641 -0.077 3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.505 1.257 3.630 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.844 -0.705 4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.295 -2.752 3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.552 -2.455 4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.873 -2.091 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.106 -0.866 2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.637 -0.126 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.486 0.811 2.546 1.00 0.00 H new ATOM 662 N LYS A 45 -3.950 -1.597 6.519 1.00 0.00 N ATOM 663 CA LYS A 45 -3.989 -2.925 7.130 1.00 0.00 C ATOM 664 C LYS A 45 -4.220 -2.856 8.639 1.00 0.00 C ATOM 665 O LYS A 45 -5.277 -3.259 9.115 1.00 0.00 O ATOM 666 CB LYS A 45 -2.722 -3.733 6.809 1.00 0.00 C ATOM 667 CG LYS A 45 -1.440 -2.920 6.733 1.00 0.00 C ATOM 668 CD LYS A 45 -0.223 -3.758 7.090 1.00 0.00 C ATOM 669 CE LYS A 45 0.961 -2.886 7.487 1.00 0.00 C ATOM 670 NZ LYS A 45 1.383 -3.123 8.895 1.00 0.00 N ATOM 0 H LYS A 45 -3.013 -1.235 6.344 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.841 -3.445 6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.600 -4.505 7.569 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.867 -4.243 5.857 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.323 -2.518 5.727 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.508 -2.069 7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.472 -4.431 7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.052 -4.381 6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.799 -3.087 6.819 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.696 -1.836 7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.261 -2.600 9.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.636 -2.796 9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.547 -4.139 9.042 1.00 0.00 H new ATOM 684 N THR A 46 -3.244 -2.352 9.395 1.00 0.00 N ATOM 685 CA THR A 46 -3.392 -2.254 10.850 1.00 0.00 C ATOM 686 C THR A 46 -4.714 -1.581 11.234 1.00 0.00 C ATOM 687 O THR A 46 -5.281 -1.872 12.288 1.00 0.00 O ATOM 688 CB THR A 46 -2.215 -1.495 11.472 1.00 0.00 C ATOM 689 OG1 THR A 46 -0.983 -2.073 11.077 1.00 0.00 O ATOM 690 CG2 THR A 46 -2.248 -1.479 12.986 1.00 0.00 C ATOM 0 H THR A 46 -2.354 -2.009 9.032 1.00 0.00 H new ATOM 0 HA THR A 46 -3.399 -3.270 11.244 1.00 0.00 H new ATOM 0 HB THR A 46 -2.306 -0.471 11.110 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.317 -1.938 11.783 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.388 -0.926 13.363 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.165 -0.998 13.325 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.215 -2.502 13.361 1.00 0.00 H new ATOM 698 N ASN A 47 -5.202 -0.687 10.372 1.00 0.00 N ATOM 699 CA ASN A 47 -6.458 0.015 10.623 1.00 0.00 C ATOM 700 C ASN A 47 -7.666 -0.880 10.336 1.00 0.00 C ATOM 701 O ASN A 47 -8.677 -0.808 11.039 1.00 0.00 O ATOM 702 CB ASN A 47 -6.531 1.283 9.769 1.00 0.00 C ATOM 703 CG ASN A 47 -7.253 2.417 10.475 1.00 0.00 C ATOM 704 OD1 ASN A 47 -8.256 2.203 11.154 1.00 0.00 O ATOM 705 ND2 ASN A 47 -6.747 3.636 10.311 1.00 0.00 N ATOM 0 H ASN A 47 -4.746 -0.434 9.496 1.00 0.00 H new ATOM 0 HA ASN A 47 -6.484 0.287 11.678 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -5.521 1.603 9.512 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.042 1.058 8.833 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.193 4.438 10.757 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -5.913 3.769 9.739 1.00 0.00 H new ATOM 712 N TYR A 48 -7.563 -1.720 9.300 1.00 0.00 N ATOM 713 CA TYR A 48 -8.657 -2.619 8.932 1.00 0.00 C ATOM 714 C TYR A 48 -8.186 -4.072 8.810 1.00 0.00 C ATOM 715 O TYR A 48 -8.572 -4.917 9.616 1.00 0.00 O ATOM 716 CB TYR A 48 -9.299 -2.163 7.618 1.00 0.00 C ATOM 717 CG TYR A 48 -10.810 -2.125 7.667 1.00 0.00 C ATOM 718 CD1 TYR A 48 -11.480 -1.090 8.309 1.00 0.00 C ATOM 719 CD2 TYR A 48 -11.570 -3.126 7.070 1.00 0.00 C ATOM 720 CE1 TYR A 48 -12.860 -1.054 8.356 1.00 0.00 C ATOM 721 CE2 TYR A 48 -12.950 -3.096 7.115 1.00 0.00 C ATOM 722 CZ TYR A 48 -13.590 -2.058 7.757 1.00 0.00 C ATOM 723 OH TYR A 48 -14.965 -2.025 7.802 1.00 0.00 O ATOM 0 H TYR A 48 -6.737 -1.794 8.706 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.398 -2.577 9.731 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.926 -1.170 7.366 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.986 -2.834 6.818 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.912 -0.301 8.779 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.073 -3.940 6.563 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.365 -0.243 8.860 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.525 -3.883 6.649 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.327 -2.805 7.332 1.00 0.00 H new ATOM 733 N VAL A 49 -7.361 -4.351 7.790 1.00 0.00 N ATOM 734 CA VAL A 49 -6.839 -5.701 7.534 1.00 0.00 C ATOM 735 C VAL A 49 -7.892 -6.782 7.818 1.00 0.00 C ATOM 736 O VAL A 49 -7.757 -7.584 8.743 1.00 0.00 O ATOM 737 CB VAL A 49 -5.526 -5.993 8.319 1.00 0.00 C ATOM 738 CG1 VAL A 49 -5.749 -6.002 9.829 1.00 0.00 C ATOM 739 CG2 VAL A 49 -4.904 -7.306 7.856 1.00 0.00 C ATOM 0 H VAL A 49 -7.038 -3.651 7.122 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.596 -5.734 6.472 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.832 -5.181 8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.806 -6.210 10.335 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.125 -5.030 10.147 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.476 -6.773 10.085 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.988 -7.492 8.416 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.606 -8.122 8.028 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.673 -7.244 6.793 1.00 0.00 H new ATOM 749 N LYS A 50 -8.948 -6.795 7.004 1.00 0.00 N ATOM 750 CA LYS A 50 -10.026 -7.773 7.158 1.00 0.00 C ATOM 751 C LYS A 50 -9.483 -9.204 7.108 1.00 0.00 C ATOM 752 O LYS A 50 -10.026 -10.106 7.748 1.00 0.00 O ATOM 753 CB LYS A 50 -11.092 -7.570 6.074 1.00 0.00 C ATOM 754 CG LYS A 50 -10.616 -7.902 4.666 1.00 0.00 C ATOM 755 CD LYS A 50 -11.398 -9.064 4.068 1.00 0.00 C ATOM 756 CE LYS A 50 -12.638 -8.585 3.327 1.00 0.00 C ATOM 757 NZ LYS A 50 -13.887 -9.202 3.860 1.00 0.00 N ATOM 0 H LYS A 50 -9.080 -6.141 6.233 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.484 -7.618 8.135 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.957 -8.190 6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.427 -6.533 6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.724 -7.024 4.029 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.555 -8.151 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.757 -9.620 3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.691 -9.752 4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.709 -7.500 3.405 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.541 -8.823 2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.705 -8.847 3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.832 -10.236 3.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.996 -8.954 4.864 1.00 0.00 H new ATOM 771 N GLU A 51 -8.401 -9.397 6.352 1.00 0.00 N ATOM 772 CA GLU A 51 -7.766 -10.704 6.223 1.00 0.00 C ATOM 773 C GLU A 51 -6.646 -10.844 7.260 1.00 0.00 C ATOM 774 O GLU A 51 -6.572 -10.063 8.210 1.00 0.00 O ATOM 775 CB GLU A 51 -7.208 -10.872 4.804 1.00 0.00 C ATOM 776 CG GLU A 51 -7.435 -12.254 4.208 1.00 0.00 C ATOM 777 CD GLU A 51 -8.736 -12.346 3.430 1.00 0.00 C ATOM 778 OE1 GLU A 51 -9.811 -12.181 4.046 1.00 0.00 O ATOM 779 OE2 GLU A 51 -8.680 -12.578 2.204 1.00 0.00 O ATOM 0 H GLU A 51 -7.946 -8.657 5.817 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.506 -11.484 6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.667 -10.127 4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.138 -10.666 4.819 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.603 -12.503 3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.441 -12.994 5.008 1.00 0.00 H new ATOM 786 N ARG A 52 -5.774 -11.837 7.075 1.00 0.00 N ATOM 787 CA ARG A 52 -4.665 -12.060 8.001 1.00 0.00 C ATOM 788 C ARG A 52 -3.644 -10.925 7.922 1.00 0.00 C ATOM 789 O ARG A 52 -3.266 -10.496 6.832 1.00 0.00 O ATOM 790 CB ARG A 52 -3.979 -13.399 7.706 1.00 0.00 C ATOM 791 CG ARG A 52 -4.022 -14.377 8.869 1.00 0.00 C ATOM 792 CD ARG A 52 -5.084 -15.444 8.661 1.00 0.00 C ATOM 793 NE ARG A 52 -4.608 -16.533 7.808 1.00 0.00 N ATOM 794 CZ ARG A 52 -3.705 -17.443 8.187 1.00 0.00 C ATOM 795 NH1 ARG A 52 -3.161 -17.389 9.401 1.00 0.00 N ATOM 796 NH2 ARG A 52 -3.341 -18.407 7.346 1.00 0.00 N ATOM 0 H ARG A 52 -5.815 -12.495 6.297 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.075 -12.085 9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.455 -13.858 6.839 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.939 -13.213 7.437 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.047 -14.850 8.984 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.225 -13.836 9.793 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.387 -15.847 9.627 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.969 -14.992 8.212 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.989 -16.602 6.864 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.433 -16.650 10.049 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.473 -18.087 9.683 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.751 -18.451 6.413 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.652 -19.102 7.634 1.00 0.00 H new ATOM 810 N PRO A 53 -3.173 -10.420 9.080 1.00 0.00 N ATOM 811 CA PRO A 53 -2.186 -9.336 9.120 1.00 0.00 C ATOM 812 C PRO A 53 -0.774 -9.819 8.790 1.00 0.00 C ATOM 813 O PRO A 53 0.046 -9.054 8.283 1.00 0.00 O ATOM 814 CB PRO A 53 -2.257 -8.851 10.567 1.00 0.00 C ATOM 815 CG PRO A 53 -2.684 -10.046 11.349 1.00 0.00 C ATOM 816 CD PRO A 53 -3.560 -10.865 10.434 1.00 0.00 C ATOM 0 HA PRO A 53 -2.400 -8.563 8.382 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.290 -8.480 10.908 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.969 -8.032 10.675 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.820 -10.623 11.678 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.229 -9.749 12.245 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.389 -11.933 10.568 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.618 -10.685 10.627 1.00 0.00 H new ATOM 824 N ASP A 54 -0.496 -11.091 9.089 1.00 0.00 N ATOM 825 CA ASP A 54 0.820 -11.674 8.834 1.00 0.00 C ATOM 826 C ASP A 54 0.891 -12.364 7.467 1.00 0.00 C ATOM 827 O ASP A 54 1.874 -13.045 7.165 1.00 0.00 O ATOM 828 CB ASP A 54 1.178 -12.675 9.936 1.00 0.00 C ATOM 829 CG ASP A 54 0.962 -12.111 11.327 1.00 0.00 C ATOM 830 OD1 ASP A 54 1.802 -11.306 11.779 1.00 0.00 O ATOM 831 OD2 ASP A 54 -0.049 -12.477 11.963 1.00 0.00 O ATOM 0 H ASP A 54 -1.166 -11.735 9.508 1.00 0.00 H new ATOM 0 HA ASP A 54 1.540 -10.856 8.831 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.575 -13.575 9.815 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.221 -12.973 9.826 1.00 0.00 H new ATOM 836 N LEU A 55 -0.137 -12.187 6.635 1.00 0.00 N ATOM 837 CA LEU A 55 -0.150 -12.799 5.310 1.00 0.00 C ATOM 838 C LEU A 55 0.636 -11.950 4.305 1.00 0.00 C ATOM 839 O LEU A 55 1.181 -12.480 3.336 1.00 0.00 O ATOM 840 CB LEU A 55 -1.592 -13.024 4.826 1.00 0.00 C ATOM 841 CG LEU A 55 -2.341 -11.774 4.347 1.00 0.00 C ATOM 842 CD1 LEU A 55 -1.953 -11.426 2.919 1.00 0.00 C ATOM 843 CD2 LEU A 55 -3.841 -11.992 4.447 1.00 0.00 C ATOM 0 H LEU A 55 -0.963 -11.630 6.854 1.00 0.00 H new ATOM 0 HA LEU A 55 0.339 -13.770 5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.572 -13.747 4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.161 -13.476 5.639 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.062 -10.939 4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.497 -10.536 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.881 -11.233 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.203 -12.258 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.362 -11.098 4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.128 -12.840 3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.111 -12.194 5.483 1.00 0.00 H new ATOM 855 N LEU A 56 0.691 -10.635 4.543 1.00 0.00 N ATOM 856 CA LEU A 56 1.415 -9.730 3.649 1.00 0.00 C ATOM 857 C LEU A 56 2.790 -9.375 4.201 1.00 0.00 C ATOM 858 O LEU A 56 3.783 -9.451 3.483 1.00 0.00 O ATOM 859 CB LEU A 56 0.630 -8.438 3.382 1.00 0.00 C ATOM 860 CG LEU A 56 -0.068 -7.801 4.591 1.00 0.00 C ATOM 861 CD1 LEU A 56 -0.241 -6.305 4.375 1.00 0.00 C ATOM 862 CD2 LEU A 56 -1.417 -8.461 4.847 1.00 0.00 C ATOM 0 H LEU A 56 0.247 -10.179 5.340 1.00 0.00 H new ATOM 0 HA LEU A 56 1.537 -10.267 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.315 -7.704 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.124 -8.647 2.623 1.00 0.00 H new ATOM 0 HG LEU A 56 0.559 -7.957 5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.738 -5.867 5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.737 -5.841 4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.846 -6.133 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.893 -7.993 5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.053 -8.340 3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.271 -9.523 5.045 1.00 0.00 H new ATOM 874 N VAL A 57 2.846 -8.972 5.471 1.00 0.00 N ATOM 875 CA VAL A 57 4.114 -8.596 6.091 1.00 0.00 C ATOM 876 C VAL A 57 5.081 -9.769 6.135 1.00 0.00 C ATOM 877 O VAL A 57 4.675 -10.924 6.282 1.00 0.00 O ATOM 878 CB VAL A 57 3.934 -8.048 7.520 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.358 -6.642 7.483 1.00 0.00 C ATOM 880 CG2 VAL A 57 3.066 -8.981 8.354 1.00 0.00 C ATOM 0 H VAL A 57 2.035 -8.898 6.085 1.00 0.00 H new ATOM 0 HA VAL A 57 4.525 -7.804 5.465 1.00 0.00 H new ATOM 0 HB VAL A 57 4.913 -7.997 7.996 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.238 -6.271 8.501 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.035 -5.986 6.935 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.388 -6.659 6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.954 -8.573 9.358 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.085 -9.077 7.889 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.538 -9.962 8.412 1.00 0.00 H new ATOM 890 N ASP A 58 6.363 -9.454 6.010 1.00 0.00 N ATOM 891 CA ASP A 58 7.413 -10.466 6.036 1.00 0.00 C ATOM 892 C ASP A 58 7.512 -11.101 7.421 1.00 0.00 C ATOM 893 O ASP A 58 7.370 -12.316 7.567 1.00 0.00 O ATOM 894 CB ASP A 58 8.753 -9.845 5.638 1.00 0.00 C ATOM 895 CG ASP A 58 9.873 -10.865 5.590 1.00 0.00 C ATOM 896 OD1 ASP A 58 9.949 -11.615 4.594 1.00 0.00 O ATOM 897 OD2 ASP A 58 10.670 -10.916 6.550 1.00 0.00 O ATOM 0 H ASP A 58 6.703 -8.500 5.889 1.00 0.00 H new ATOM 0 HA ASP A 58 7.161 -11.246 5.318 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.655 -9.372 4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.011 -9.060 6.348 1.00 0.00 H new ATOM 902 N GLN A 59 7.745 -10.268 8.436 1.00 0.00 N ATOM 903 CA GLN A 59 7.850 -10.745 9.814 1.00 0.00 C ATOM 904 C GLN A 59 7.871 -9.586 10.807 1.00 0.00 C ATOM 905 O GLN A 59 7.181 -9.624 11.827 1.00 0.00 O ATOM 906 CB GLN A 59 9.097 -11.616 9.997 1.00 0.00 C ATOM 907 CG GLN A 59 8.955 -12.663 11.093 1.00 0.00 C ATOM 908 CD GLN A 59 9.563 -13.999 10.709 1.00 0.00 C ATOM 909 OE1 GLN A 59 9.070 -14.683 9.812 1.00 0.00 O ATOM 910 NE2 GLN A 59 10.638 -14.380 11.391 1.00 0.00 N ATOM 0 H GLN A 59 7.864 -9.261 8.329 1.00 0.00 H new ATOM 0 HA GLN A 59 6.966 -11.350 10.016 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.321 -12.117 9.055 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.947 -10.974 10.227 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.433 -12.299 12.002 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.899 -12.802 11.323 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.014 -13.782 12.127 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.088 -15.271 11.179 1.00 0.00 H new ATOM 919 N THR A 60 8.660 -8.556 10.503 1.00 0.00 N ATOM 920 CA THR A 60 8.761 -7.384 11.372 1.00 0.00 C ATOM 921 C THR A 60 7.551 -6.455 11.209 1.00 0.00 C ATOM 922 O THR A 60 7.481 -5.407 11.854 1.00 0.00 O ATOM 923 CB THR A 60 10.056 -6.614 11.081 1.00 0.00 C ATOM 924 OG1 THR A 60 10.082 -6.160 9.735 1.00 0.00 O ATOM 925 CG2 THR A 60 11.308 -7.436 11.317 1.00 0.00 C ATOM 0 H THR A 60 9.237 -8.509 9.663 1.00 0.00 H new ATOM 0 HA THR A 60 8.777 -7.738 12.403 1.00 0.00 H new ATOM 0 HB THR A 60 10.056 -5.776 11.778 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.915 -5.670 9.571 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.187 -6.832 11.093 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.343 -7.755 12.359 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.295 -8.313 10.669 1.00 0.00 H new ATOM 933 N GLY A 61 6.605 -6.834 10.343 1.00 0.00 N ATOM 934 CA GLY A 61 5.427 -6.015 10.116 1.00 0.00 C ATOM 935 C GLY A 61 5.770 -4.661 9.520 1.00 0.00 C ATOM 936 O GLY A 61 5.002 -3.704 9.646 1.00 0.00 O ATOM 0 H GLY A 61 6.638 -7.695 9.797 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.745 -6.541 9.448 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.901 -5.871 11.059 1.00 0.00 H new ATOM 940 N GLN A 62 6.932 -4.584 8.870 1.00 0.00 N ATOM 941 CA GLN A 62 7.395 -3.342 8.250 1.00 0.00 C ATOM 942 C GLN A 62 7.600 -3.521 6.745 1.00 0.00 C ATOM 943 O GLN A 62 7.295 -2.625 5.957 1.00 0.00 O ATOM 944 CB GLN A 62 8.699 -2.877 8.912 1.00 0.00 C ATOM 945 CG GLN A 62 9.179 -1.516 8.433 1.00 0.00 C ATOM 946 CD GLN A 62 10.579 -1.563 7.849 1.00 0.00 C ATOM 947 OE1 GLN A 62 11.559 -1.273 8.535 1.00 0.00 O ATOM 948 NE2 GLN A 62 10.680 -1.930 6.577 1.00 0.00 N ATOM 0 H GLN A 62 7.572 -5.371 8.759 1.00 0.00 H new ATOM 0 HA GLN A 62 6.629 -2.581 8.398 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.555 -2.842 9.992 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.477 -3.615 8.718 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.488 -1.135 7.681 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.161 -0.814 9.267 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.841 -2.162 6.045 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.596 -1.980 6.132 1.00 0.00 H new ATOM 957 N THR A 63 8.112 -4.687 6.355 1.00 0.00 N ATOM 958 CA THR A 63 8.351 -4.998 4.950 1.00 0.00 C ATOM 959 C THR A 63 7.520 -6.212 4.548 1.00 0.00 C ATOM 960 O THR A 63 7.497 -7.212 5.262 1.00 0.00 O ATOM 961 CB THR A 63 9.846 -5.258 4.704 1.00 0.00 C ATOM 962 OG1 THR A 63 10.071 -5.740 3.386 1.00 0.00 O ATOM 963 CG2 THR A 63 10.456 -6.252 5.674 1.00 0.00 C ATOM 0 H THR A 63 8.370 -5.435 6.998 1.00 0.00 H new ATOM 0 HA THR A 63 8.052 -4.146 4.339 1.00 0.00 H new ATOM 0 HB THR A 63 10.328 -4.292 4.854 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.029 -5.896 3.254 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.512 -6.387 5.441 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.354 -5.876 6.692 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.941 -7.208 5.587 1.00 0.00 H new ATOM 971 N LEU A 64 6.826 -6.114 3.416 1.00 0.00 N ATOM 972 CA LEU A 64 5.983 -7.209 2.941 1.00 0.00 C ATOM 973 C LEU A 64 6.819 -8.418 2.536 1.00 0.00 C ATOM 974 O LEU A 64 7.986 -8.286 2.163 1.00 0.00 O ATOM 975 CB LEU A 64 5.116 -6.758 1.760 1.00 0.00 C ATOM 976 CG LEU A 64 3.988 -5.772 2.097 1.00 0.00 C ATOM 977 CD1 LEU A 64 2.879 -5.873 1.062 1.00 0.00 C ATOM 978 CD2 LEU A 64 3.430 -6.022 3.495 1.00 0.00 C ATOM 0 H LEU A 64 6.830 -5.291 2.813 1.00 0.00 H new ATOM 0 HA LEU A 64 5.333 -7.500 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.763 -6.299 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.675 -7.642 1.299 1.00 0.00 H new ATOM 0 HG LEU A 64 4.404 -4.765 2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.084 -5.170 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.279 -5.635 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.478 -6.886 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.634 -5.307 3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.032 -7.035 3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.225 -5.902 4.231 1.00 0.00 H new ATOM 990 N ARG A 65 6.206 -9.595 2.612 1.00 0.00 N ATOM 991 CA ARG A 65 6.879 -10.841 2.257 1.00 0.00 C ATOM 992 C ARG A 65 7.023 -10.974 0.738 1.00 0.00 C ATOM 993 O ARG A 65 6.321 -10.303 -0.021 1.00 0.00 O ATOM 994 CB ARG A 65 6.104 -12.042 2.818 1.00 0.00 C ATOM 995 CG ARG A 65 4.718 -12.218 2.213 1.00 0.00 C ATOM 996 CD ARG A 65 4.357 -13.687 2.063 1.00 0.00 C ATOM 997 NE ARG A 65 4.205 -14.355 3.356 1.00 0.00 N ATOM 998 CZ ARG A 65 3.901 -15.648 3.498 1.00 0.00 C ATOM 999 NH1 ARG A 65 3.708 -16.414 2.429 1.00 0.00 N ATOM 1000 NH2 ARG A 65 3.787 -16.173 4.713 1.00 0.00 N ATOM 0 H ARG A 65 5.240 -9.713 2.918 1.00 0.00 H new ATOM 0 HA ARG A 65 7.877 -10.823 2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.683 -12.949 2.645 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.007 -11.927 3.898 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.979 -11.723 2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.681 -11.732 1.238 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.428 -13.775 1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.130 -14.192 1.484 1.00 0.00 H new ATOM 0 HE ARG A 65 4.339 -13.799 4.201 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.792 -16.015 1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.476 -17.401 2.544 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.932 -15.589 5.537 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.555 -17.160 4.822 1.00 0.00 H new ATOM 1014 N PRO A 66 7.939 -11.849 0.273 1.00 0.00 N ATOM 1015 CA PRO A 66 8.171 -12.071 -1.162 1.00 0.00 C ATOM 1016 C PRO A 66 6.926 -12.592 -1.873 1.00 0.00 C ATOM 1017 O PRO A 66 6.369 -13.624 -1.493 1.00 0.00 O ATOM 1018 CB PRO A 66 9.288 -13.123 -1.198 1.00 0.00 C ATOM 1019 CG PRO A 66 9.914 -13.075 0.153 1.00 0.00 C ATOM 1020 CD PRO A 66 8.819 -12.688 1.104 1.00 0.00 C ATOM 0 HA PRO A 66 8.431 -11.146 -1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.888 -14.114 -1.412 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.016 -12.898 -1.977 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.339 -14.042 0.420 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.728 -12.351 0.180 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.295 -13.561 1.493 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.206 -12.140 1.963 1.00 0.00 H new ATOM 1028 N GLY A 67 6.494 -11.868 -2.903 1.00 0.00 N ATOM 1029 CA GLY A 67 5.313 -12.263 -3.652 1.00 0.00 C ATOM 1030 C GLY A 67 4.629 -11.083 -4.318 1.00 0.00 C ATOM 1031 O GLY A 67 4.260 -11.154 -5.490 1.00 0.00 O ATOM 0 H GLY A 67 6.942 -11.013 -3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.595 -12.992 -4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.609 -12.757 -2.982 1.00 0.00 H new ATOM 1035 N ILE A 68 4.462 -9.993 -3.568 1.00 0.00 N ATOM 1036 CA ILE A 68 3.819 -8.788 -4.091 1.00 0.00 C ATOM 1037 C ILE A 68 4.858 -7.773 -4.566 1.00 0.00 C ATOM 1038 O ILE A 68 5.848 -7.515 -3.878 1.00 0.00 O ATOM 1039 CB ILE A 68 2.914 -8.117 -3.035 1.00 0.00 C ATOM 1040 CG1 ILE A 68 1.969 -9.139 -2.398 1.00 0.00 C ATOM 1041 CG2 ILE A 68 2.121 -6.976 -3.657 1.00 0.00 C ATOM 1042 CD1 ILE A 68 1.788 -8.934 -0.912 1.00 0.00 C ATOM 0 H ILE A 68 4.763 -9.920 -2.596 1.00 0.00 H new ATOM 0 HA ILE A 68 3.204 -9.105 -4.933 1.00 0.00 H new ATOM 0 HB ILE A 68 3.553 -7.709 -2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.997 -9.081 -2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.356 -10.142 -2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.489 -6.516 -2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.809 -6.231 -4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.497 -7.363 -4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.107 -9.690 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.753 -9.021 -0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.373 -7.943 -0.729 1.00 0.00 H new ATOM 1054 N LEU A 69 4.617 -7.191 -5.741 1.00 0.00 N ATOM 1055 CA LEU A 69 5.524 -6.194 -6.307 1.00 0.00 C ATOM 1056 C LEU A 69 4.921 -4.795 -6.192 1.00 0.00 C ATOM 1057 O LEU A 69 3.956 -4.466 -6.886 1.00 0.00 O ATOM 1058 CB LEU A 69 5.827 -6.517 -7.774 1.00 0.00 C ATOM 1059 CG LEU A 69 7.316 -6.633 -8.121 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.968 -7.763 -7.336 1.00 0.00 C ATOM 1061 CD2 LEU A 69 7.495 -6.846 -9.616 1.00 0.00 C ATOM 0 H LEU A 69 3.801 -7.393 -6.319 1.00 0.00 H new ATOM 0 HA LEU A 69 6.456 -6.220 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.336 -7.455 -8.032 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.384 -5.742 -8.399 1.00 0.00 H new ATOM 0 HG LEU A 69 7.807 -5.701 -7.842 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.024 -7.826 -7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.871 -7.568 -6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.477 -8.705 -7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.557 -6.927 -9.847 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.988 -7.763 -9.916 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.069 -6.001 -10.157 1.00 0.00 H new ATOM 1073 N VAL A 70 5.493 -3.978 -5.306 1.00 0.00 N ATOM 1074 CA VAL A 70 5.007 -2.615 -5.096 1.00 0.00 C ATOM 1075 C VAL A 70 5.473 -1.677 -6.211 1.00 0.00 C ATOM 1076 O VAL A 70 6.660 -1.620 -6.536 1.00 0.00 O ATOM 1077 CB VAL A 70 5.456 -2.041 -3.732 1.00 0.00 C ATOM 1078 CG1 VAL A 70 4.748 -2.750 -2.587 1.00 0.00 C ATOM 1079 CG2 VAL A 70 6.968 -2.134 -3.571 1.00 0.00 C ATOM 0 H VAL A 70 6.290 -4.236 -4.725 1.00 0.00 H new ATOM 0 HA VAL A 70 3.919 -2.676 -5.107 1.00 0.00 H new ATOM 0 HB VAL A 70 5.178 -0.987 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.080 -2.329 -1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.671 -2.616 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.985 -3.813 -2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.257 -1.724 -2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.277 -3.178 -3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.454 -1.567 -4.365 1.00 0.00 H new ATOM 1089 N LEU A 71 4.523 -0.945 -6.789 1.00 0.00 N ATOM 1090 CA LEU A 71 4.819 -0.005 -7.867 1.00 0.00 C ATOM 1091 C LEU A 71 4.288 1.387 -7.536 1.00 0.00 C ATOM 1092 O LEU A 71 3.115 1.550 -7.191 1.00 0.00 O ATOM 1093 CB LEU A 71 4.212 -0.494 -9.190 1.00 0.00 C ATOM 1094 CG LEU A 71 4.291 -2.004 -9.434 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.628 -2.364 -10.755 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.740 -2.477 -9.415 1.00 0.00 C ATOM 0 H LEU A 71 3.538 -0.985 -6.527 1.00 0.00 H new ATOM 0 HA LEU A 71 5.902 0.052 -7.974 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.165 -0.193 -9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.716 0.016 -10.011 1.00 0.00 H new ATOM 0 HG LEU A 71 3.757 -2.510 -8.630 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.693 -3.441 -10.913 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.581 -2.063 -10.730 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.135 -1.846 -11.569 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.774 -3.552 -9.590 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.300 -1.964 -10.197 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.183 -2.253 -8.445 1.00 0.00 H new ATOM 1108 N VAL A 72 5.160 2.390 -7.641 1.00 0.00 N ATOM 1109 CA VAL A 72 4.786 3.772 -7.357 1.00 0.00 C ATOM 1110 C VAL A 72 4.924 4.645 -8.602 1.00 0.00 C ATOM 1111 O VAL A 72 6.002 4.735 -9.191 1.00 0.00 O ATOM 1112 CB VAL A 72 5.643 4.380 -6.224 1.00 0.00 C ATOM 1113 CG1 VAL A 72 5.198 3.850 -4.869 1.00 0.00 C ATOM 1114 CG2 VAL A 72 7.124 4.105 -6.450 1.00 0.00 C ATOM 0 H VAL A 72 6.133 2.268 -7.922 1.00 0.00 H new ATOM 0 HA VAL A 72 3.744 3.751 -7.037 1.00 0.00 H new ATOM 0 HB VAL A 72 5.496 5.460 -6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.814 4.291 -4.086 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.154 4.113 -4.700 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.306 2.766 -4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.704 4.544 -5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.294 3.029 -6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.435 4.545 -7.397 1.00 0.00 H new ATOM 1124 N ASN A 73 3.823 5.285 -9.000 1.00 0.00 N ATOM 1125 CA ASN A 73 3.819 6.151 -10.183 1.00 0.00 C ATOM 1126 C ASN A 73 4.317 5.385 -11.410 1.00 0.00 C ATOM 1127 O ASN A 73 5.157 5.881 -12.169 1.00 0.00 O ATOM 1128 CB ASN A 73 4.686 7.395 -9.940 1.00 0.00 C ATOM 1129 CG ASN A 73 3.905 8.548 -9.333 1.00 0.00 C ATOM 1130 OD1 ASN A 73 2.720 8.418 -9.027 1.00 0.00 O ATOM 1131 ND2 ASN A 73 4.564 9.686 -9.158 1.00 0.00 N ATOM 0 H ASN A 73 2.924 5.221 -8.522 1.00 0.00 H new ATOM 0 HA ASN A 73 2.795 6.474 -10.370 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.512 7.133 -9.278 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.125 7.717 -10.885 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.088 10.494 -8.757 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.546 9.753 -9.425 1.00 0.00 H new ATOM 1138 N SER A 74 3.798 4.169 -11.591 1.00 0.00 N ATOM 1139 CA SER A 74 4.185 3.318 -12.715 1.00 0.00 C ATOM 1140 C SER A 74 5.680 2.969 -12.668 1.00 0.00 C ATOM 1141 O SER A 74 6.311 2.768 -13.707 1.00 0.00 O ATOM 1142 CB SER A 74 3.843 4.004 -14.043 1.00 0.00 C ATOM 1143 OG SER A 74 2.515 4.504 -14.036 1.00 0.00 O ATOM 0 H SER A 74 3.105 3.751 -10.970 1.00 0.00 H new ATOM 0 HA SER A 74 3.622 2.388 -12.638 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.541 4.822 -14.223 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.963 3.296 -14.863 1.00 0.00 H new ATOM 0 HG SER A 74 2.324 4.938 -14.894 1.00 0.00 H new ATOM 1149 N CYS A 75 6.242 2.897 -11.457 1.00 0.00 N ATOM 1150 CA CYS A 75 7.658 2.572 -11.284 1.00 0.00 C ATOM 1151 C CYS A 75 7.902 1.916 -9.927 1.00 0.00 C ATOM 1152 O CYS A 75 7.452 2.421 -8.900 1.00 0.00 O ATOM 1153 CB CYS A 75 8.516 3.835 -11.421 1.00 0.00 C ATOM 1154 SG CYS A 75 10.293 3.514 -11.504 1.00 0.00 S ATOM 0 H CYS A 75 5.738 3.059 -10.585 1.00 0.00 H new ATOM 0 HA CYS A 75 7.942 1.866 -12.064 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.212 4.372 -12.320 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.315 4.491 -10.574 1.00 0.00 H new ATOM 0 HG CYS A 75 10.932 4.640 -11.621 1.00 0.00 H new ATOM 1160 N ASP A 76 8.607 0.781 -9.930 1.00 0.00 N ATOM 1161 CA ASP A 76 8.903 0.046 -8.696 1.00 0.00 C ATOM 1162 C ASP A 76 9.400 0.979 -7.593 1.00 0.00 C ATOM 1163 O ASP A 76 10.303 1.790 -7.809 1.00 0.00 O ATOM 1164 CB ASP A 76 9.943 -1.048 -8.952 1.00 0.00 C ATOM 1165 CG ASP A 76 9.473 -2.073 -9.964 1.00 0.00 C ATOM 1166 OD1 ASP A 76 9.705 -1.861 -11.174 1.00 0.00 O ATOM 1167 OD2 ASP A 76 8.870 -3.086 -9.551 1.00 0.00 O ATOM 0 H ASP A 76 8.984 0.350 -10.774 1.00 0.00 H new ATOM 0 HA ASP A 76 7.973 -0.414 -8.364 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.867 -0.590 -9.306 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.176 -1.550 -8.013 1.00 0.00 H new ATOM 1172 N ALA A 77 8.800 0.855 -6.411 1.00 0.00 N ATOM 1173 CA ALA A 77 9.173 1.684 -5.263 1.00 0.00 C ATOM 1174 C ALA A 77 10.508 1.257 -4.654 1.00 0.00 C ATOM 1175 O ALA A 77 11.152 2.044 -3.963 1.00 0.00 O ATOM 1176 CB ALA A 77 8.082 1.640 -4.201 1.00 0.00 C ATOM 0 H ALA A 77 8.052 0.188 -6.221 1.00 0.00 H new ATOM 0 HA ALA A 77 9.287 2.705 -5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.374 2.261 -3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.149 2.015 -4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.941 0.612 -3.866 1.00 0.00 H new ATOM 1182 N GLU A 78 10.920 0.012 -4.911 1.00 0.00 N ATOM 1183 CA GLU A 78 12.177 -0.505 -4.380 1.00 0.00 C ATOM 1184 C GLU A 78 13.368 0.106 -5.109 1.00 0.00 C ATOM 1185 O GLU A 78 14.450 0.240 -4.538 1.00 0.00 O ATOM 1186 CB GLU A 78 12.226 -2.033 -4.492 1.00 0.00 C ATOM 1187 CG GLU A 78 10.963 -2.725 -4.000 1.00 0.00 C ATOM 1188 CD GLU A 78 11.227 -3.734 -2.895 1.00 0.00 C ATOM 1189 OE1 GLU A 78 12.216 -4.492 -3.000 1.00 0.00 O ATOM 1190 OE2 GLU A 78 10.440 -3.767 -1.927 1.00 0.00 O ATOM 0 H GLU A 78 10.400 -0.653 -5.483 1.00 0.00 H new ATOM 0 HA GLU A 78 12.232 -0.227 -3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.397 -2.306 -5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.078 -2.403 -3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.262 -1.973 -3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.483 -3.230 -4.838 1.00 0.00 H new ATOM 1197 N VAL A 79 13.158 0.480 -6.370 1.00 0.00 N ATOM 1198 CA VAL A 79 14.218 1.079 -7.168 1.00 0.00 C ATOM 1199 C VAL A 79 14.641 2.432 -6.593 1.00 0.00 C ATOM 1200 O VAL A 79 15.812 2.810 -6.674 1.00 0.00 O ATOM 1201 CB VAL A 79 13.791 1.267 -8.639 1.00 0.00 C ATOM 1202 CG1 VAL A 79 14.953 1.801 -9.464 1.00 0.00 C ATOM 1203 CG2 VAL A 79 13.271 -0.042 -9.224 1.00 0.00 C ATOM 0 H VAL A 79 12.267 0.378 -6.856 1.00 0.00 H new ATOM 0 HA VAL A 79 15.062 0.390 -7.134 1.00 0.00 H new ATOM 0 HB VAL A 79 12.981 1.996 -8.671 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.636 1.928 -10.499 1.00 0.00 H new ATOM 0 HG12 VAL A 79 15.273 2.762 -9.062 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.783 1.096 -9.423 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.976 0.115 -10.262 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.056 -0.797 -9.180 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.409 -0.381 -8.649 1.00 0.00 H new ATOM 1213 N VAL A 80 13.682 3.161 -6.020 1.00 0.00 N ATOM 1214 CA VAL A 80 13.955 4.473 -5.437 1.00 0.00 C ATOM 1215 C VAL A 80 14.078 4.406 -3.912 1.00 0.00 C ATOM 1216 O VAL A 80 14.898 5.111 -3.322 1.00 0.00 O ATOM 1217 CB VAL A 80 12.865 5.501 -5.813 1.00 0.00 C ATOM 1218 CG1 VAL A 80 12.891 5.780 -7.308 1.00 0.00 C ATOM 1219 CG2 VAL A 80 11.483 5.017 -5.380 1.00 0.00 C ATOM 0 H VAL A 80 12.709 2.864 -5.948 1.00 0.00 H new ATOM 0 HA VAL A 80 14.909 4.797 -5.852 1.00 0.00 H new ATOM 0 HB VAL A 80 13.077 6.430 -5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.117 6.506 -7.556 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.866 6.180 -7.587 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.709 4.854 -7.854 1.00 0.00 H new ATOM 0 HG21 VAL A 80 10.734 5.759 -5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.257 4.072 -5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.470 4.874 -4.300 1.00 0.00 H new ATOM 1229 N GLY A 81 13.254 3.568 -3.278 1.00 0.00 N ATOM 1230 CA GLY A 81 13.289 3.444 -1.832 1.00 0.00 C ATOM 1231 C GLY A 81 13.130 2.012 -1.353 1.00 0.00 C ATOM 1232 O GLY A 81 14.101 1.389 -0.917 1.00 0.00 O ATOM 0 H GLY A 81 12.566 2.976 -3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.234 3.842 -1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.496 4.055 -1.402 1.00 0.00 H new ATOM 1236 N GLY A 82 11.906 1.493 -1.425 1.00 0.00 N ATOM 1237 CA GLY A 82 11.638 0.134 -0.983 1.00 0.00 C ATOM 1238 C GLY A 82 10.855 0.098 0.315 1.00 0.00 C ATOM 1239 O GLY A 82 11.441 0.003 1.395 1.00 0.00 O ATOM 0 H GLY A 82 11.092 1.992 -1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.081 -0.395 -1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.581 -0.396 -0.851 1.00 0.00 H new ATOM 1243 N MET A 83 9.527 0.187 0.207 1.00 0.00 N ATOM 1244 CA MET A 83 8.653 0.180 1.383 1.00 0.00 C ATOM 1245 C MET A 83 8.994 1.328 2.340 1.00 0.00 C ATOM 1246 O MET A 83 8.695 1.261 3.536 1.00 0.00 O ATOM 1247 CB MET A 83 8.750 -1.167 2.110 1.00 0.00 C ATOM 1248 CG MET A 83 8.118 -2.317 1.342 1.00 0.00 C ATOM 1249 SD MET A 83 6.532 -2.825 2.032 1.00 0.00 S ATOM 1250 CE MET A 83 5.563 -3.032 0.540 1.00 0.00 C ATOM 0 H MET A 83 9.034 0.265 -0.682 1.00 0.00 H new ATOM 0 HA MET A 83 7.629 0.325 1.040 1.00 0.00 H new ATOM 0 HB2 MET A 83 9.799 -1.397 2.294 1.00 0.00 H new ATOM 0 HB3 MET A 83 8.267 -1.081 3.083 1.00 0.00 H new ATOM 0 HG2 MET A 83 7.979 -2.021 0.302 1.00 0.00 H new ATOM 0 HG3 MET A 83 8.800 -3.168 1.343 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.506 -3.100 0.799 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.721 -2.178 -0.118 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.871 -3.945 0.030 1.00 0.00 H new ATOM 1260 N ASP A 84 9.616 2.385 1.808 1.00 0.00 N ATOM 1261 CA ASP A 84 9.993 3.544 2.615 1.00 0.00 C ATOM 1262 C ASP A 84 9.915 4.842 1.799 1.00 0.00 C ATOM 1263 O ASP A 84 10.592 5.823 2.113 1.00 0.00 O ATOM 1264 CB ASP A 84 11.410 3.351 3.175 1.00 0.00 C ATOM 1265 CG ASP A 84 11.782 4.392 4.215 1.00 0.00 C ATOM 1266 OD1 ASP A 84 11.012 4.571 5.182 1.00 0.00 O ATOM 1267 OD2 ASP A 84 12.846 5.027 4.062 1.00 0.00 O ATOM 0 H ASP A 84 9.868 2.459 0.822 1.00 0.00 H new ATOM 0 HA ASP A 84 9.287 3.628 3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.488 2.358 3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.128 3.391 2.355 1.00 0.00 H new ATOM 1272 N TYR A 85 9.084 4.845 0.753 1.00 0.00 N ATOM 1273 CA TYR A 85 8.924 6.025 -0.095 1.00 0.00 C ATOM 1274 C TYR A 85 8.089 7.095 0.609 1.00 0.00 C ATOM 1275 O TYR A 85 6.904 6.891 0.880 1.00 0.00 O ATOM 1276 CB TYR A 85 8.274 5.638 -1.426 1.00 0.00 C ATOM 1277 CG TYR A 85 8.640 6.552 -2.573 1.00 0.00 C ATOM 1278 CD1 TYR A 85 9.971 6.814 -2.886 1.00 0.00 C ATOM 1279 CD2 TYR A 85 7.655 7.149 -3.348 1.00 0.00 C ATOM 1280 CE1 TYR A 85 10.305 7.648 -3.935 1.00 0.00 C ATOM 1281 CE2 TYR A 85 7.983 7.984 -4.399 1.00 0.00 C ATOM 1282 CZ TYR A 85 9.308 8.228 -4.690 1.00 0.00 C ATOM 1283 OH TYR A 85 9.639 9.059 -5.736 1.00 0.00 O ATOM 0 H TYR A 85 8.514 4.046 0.475 1.00 0.00 H new ATOM 0 HA TYR A 85 9.913 6.439 -0.292 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.565 4.619 -1.679 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.191 5.639 -1.304 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.755 6.358 -2.299 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.616 6.958 -3.126 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.342 7.845 -4.163 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.204 8.443 -4.990 1.00 0.00 H new ATOM 0 HH TYR A 85 8.821 9.384 -6.167 1.00 0.00 H new ATOM 1293 N VAL A 86 8.720 8.232 0.900 1.00 0.00 N ATOM 1294 CA VAL A 86 8.047 9.341 1.578 1.00 0.00 C ATOM 1295 C VAL A 86 6.932 9.937 0.717 1.00 0.00 C ATOM 1296 O VAL A 86 7.080 10.077 -0.498 1.00 0.00 O ATOM 1297 CB VAL A 86 9.041 10.459 1.969 1.00 0.00 C ATOM 1298 CG1 VAL A 86 10.033 9.957 3.008 1.00 0.00 C ATOM 1299 CG2 VAL A 86 9.771 10.997 0.744 1.00 0.00 C ATOM 0 H VAL A 86 9.699 8.410 0.676 1.00 0.00 H new ATOM 0 HA VAL A 86 7.609 8.925 2.485 1.00 0.00 H new ATOM 0 HB VAL A 86 8.470 11.278 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.723 10.759 3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.495 9.637 3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.593 9.115 2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.463 11.782 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.326 10.189 0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.047 11.406 0.039 1.00 0.00 H new ATOM 1309 N LEU A 87 5.815 10.283 1.361 1.00 0.00 N ATOM 1310 CA LEU A 87 4.665 10.863 0.665 1.00 0.00 C ATOM 1311 C LEU A 87 4.883 12.348 0.366 1.00 0.00 C ATOM 1312 O LEU A 87 5.821 12.964 0.877 1.00 0.00 O ATOM 1313 CB LEU A 87 3.393 10.689 1.504 1.00 0.00 C ATOM 1314 CG LEU A 87 2.701 9.332 1.363 1.00 0.00 C ATOM 1315 CD1 LEU A 87 3.171 8.377 2.450 1.00 0.00 C ATOM 1316 CD2 LEU A 87 1.187 9.496 1.414 1.00 0.00 C ATOM 0 H LEU A 87 5.683 10.171 2.366 1.00 0.00 H new ATOM 0 HA LEU A 87 4.552 10.335 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.645 10.843 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.685 11.470 1.228 1.00 0.00 H new ATOM 0 HG LEU A 87 2.969 8.909 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.668 7.417 2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.248 8.234 2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.934 8.794 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.712 8.520 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.901 9.941 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.864 10.144 0.599 1.00 0.00 H new ATOM 1328 N ASN A 88 4.007 12.915 -0.468 1.00 0.00 N ATOM 1329 CA ASN A 88 4.100 14.327 -0.842 1.00 0.00 C ATOM 1330 C ASN A 88 2.803 14.814 -1.499 1.00 0.00 C ATOM 1331 O ASN A 88 2.839 15.542 -2.494 1.00 0.00 O ATOM 1332 CB ASN A 88 5.288 14.539 -1.789 1.00 0.00 C ATOM 1333 CG ASN A 88 5.793 15.974 -1.800 1.00 0.00 C ATOM 1334 OD1 ASN A 88 5.207 16.860 -1.179 1.00 0.00 O ATOM 1335 ND2 ASN A 88 6.891 16.207 -2.514 1.00 0.00 N ATOM 0 H ASN A 88 3.226 12.418 -0.896 1.00 0.00 H new ATOM 0 HA ASN A 88 4.255 14.911 0.065 1.00 0.00 H new ATOM 0 HB2 ASN A 88 6.102 13.876 -1.496 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.994 14.256 -2.800 1.00 0.00 H new ATOM 0 HD21 ASN A 88 7.278 17.150 -2.561 1.00 0.00 H new ATOM 0 HD22 ASN A 88 7.346 15.443 -3.014 1.00 0.00 H new ATOM 1342 N ASP A 89 1.661 14.410 -0.932 1.00 0.00 N ATOM 1343 CA ASP A 89 0.343 14.799 -1.447 1.00 0.00 C ATOM 1344 C ASP A 89 0.198 14.451 -2.928 1.00 0.00 C ATOM 1345 O ASP A 89 0.493 15.266 -3.805 1.00 0.00 O ATOM 1346 CB ASP A 89 0.104 16.295 -1.225 1.00 0.00 C ATOM 1347 CG ASP A 89 0.298 16.697 0.225 1.00 0.00 C ATOM 1348 OD1 ASP A 89 -0.535 16.305 1.069 1.00 0.00 O ATOM 1349 OD2 ASP A 89 1.289 17.397 0.517 1.00 0.00 O ATOM 0 H ASP A 89 1.623 13.808 -0.109 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.410 14.235 -0.896 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.786 16.867 -1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.908 16.550 -1.539 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.261 13.232 -3.197 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.442 12.781 -4.568 1.00 0.00 C ATOM 1356 C GLY A 90 0.429 11.582 -4.917 1.00 0.00 C ATOM 1357 O GLY A 90 0.773 11.381 -6.084 1.00 0.00 O ATOM 0 H GLY A 90 -0.512 12.545 -2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.489 12.521 -4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -0.212 13.601 -5.248 1.00 0.00 H new ATOM 1361 N ASP A 91 0.785 10.783 -3.907 1.00 0.00 N ATOM 1362 CA ASP A 91 1.618 9.602 -4.113 1.00 0.00 C ATOM 1363 C ASP A 91 0.792 8.445 -4.674 1.00 0.00 C ATOM 1364 O ASP A 91 -0.406 8.339 -4.410 1.00 0.00 O ATOM 1365 CB ASP A 91 2.282 9.185 -2.794 1.00 0.00 C ATOM 1366 CG ASP A 91 3.656 8.570 -2.994 1.00 0.00 C ATOM 1367 OD1 ASP A 91 3.739 7.479 -3.596 1.00 0.00 O ATOM 1368 OD2 ASP A 91 4.649 9.181 -2.544 1.00 0.00 O ATOM 0 H ASP A 91 0.507 10.936 -2.938 1.00 0.00 H new ATOM 0 HA ASP A 91 2.393 9.853 -4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.370 10.057 -2.146 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.640 8.469 -2.280 1.00 0.00 H new ATOM 1373 N THR A 92 1.444 7.581 -5.445 1.00 0.00 N ATOM 1374 CA THR A 92 0.778 6.428 -6.043 1.00 0.00 C ATOM 1375 C THR A 92 1.445 5.133 -5.590 1.00 0.00 C ATOM 1376 O THR A 92 2.665 4.999 -5.664 1.00 0.00 O ATOM 1377 CB THR A 92 0.811 6.531 -7.571 1.00 0.00 C ATOM 1378 OG1 THR A 92 0.140 7.702 -8.013 1.00 0.00 O ATOM 1379 CG2 THR A 92 0.180 5.344 -8.271 1.00 0.00 C ATOM 0 H THR A 92 2.436 7.657 -5.671 1.00 0.00 H new ATOM 0 HA THR A 92 -0.261 6.419 -5.713 1.00 0.00 H new ATOM 0 HB THR A 92 1.869 6.561 -7.832 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.775 8.289 -8.474 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.239 5.485 -9.350 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.712 4.434 -7.994 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.865 5.259 -7.973 1.00 0.00 H new ATOM 1387 N VAL A 93 0.637 4.183 -5.118 1.00 0.00 N ATOM 1388 CA VAL A 93 1.154 2.897 -4.656 1.00 0.00 C ATOM 1389 C VAL A 93 0.202 1.755 -5.018 1.00 0.00 C ATOM 1390 O VAL A 93 -1.017 1.879 -4.874 1.00 0.00 O ATOM 1391 CB VAL A 93 1.404 2.907 -3.129 1.00 0.00 C ATOM 1392 CG1 VAL A 93 0.135 3.272 -2.371 1.00 0.00 C ATOM 1393 CG2 VAL A 93 1.954 1.564 -2.663 1.00 0.00 C ATOM 0 H VAL A 93 -0.376 4.281 -5.046 1.00 0.00 H new ATOM 0 HA VAL A 93 2.105 2.733 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 93 2.151 3.670 -2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.338 3.272 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.199 4.263 -2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.644 2.542 -2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.122 1.594 -1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.238 0.777 -2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.896 1.360 -3.172 1.00 0.00 H new ATOM 1403 N GLU A 94 0.767 0.646 -5.497 1.00 0.00 N ATOM 1404 CA GLU A 94 -0.026 -0.518 -5.893 1.00 0.00 C ATOM 1405 C GLU A 94 0.574 -1.813 -5.347 1.00 0.00 C ATOM 1406 O GLU A 94 1.788 -1.913 -5.150 1.00 0.00 O ATOM 1407 CB GLU A 94 -0.119 -0.596 -7.419 1.00 0.00 C ATOM 1408 CG GLU A 94 -0.576 0.700 -8.072 1.00 0.00 C ATOM 1409 CD GLU A 94 -0.132 0.827 -9.520 1.00 0.00 C ATOM 1410 OE1 GLU A 94 0.045 -0.215 -10.187 1.00 0.00 O ATOM 1411 OE2 GLU A 94 0.034 1.974 -9.987 1.00 0.00 O ATOM 0 H GLU A 94 1.773 0.530 -5.620 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.024 -0.401 -5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.857 -0.870 -7.820 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.811 -1.393 -7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.663 0.760 -8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.186 1.544 -7.503 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.287 -2.805 -5.119 1.00 0.00 N ATOM 1419 CA PHE A 95 0.144 -4.106 -4.608 1.00 0.00 C ATOM 1420 C PHE A 95 -0.301 -5.223 -5.552 1.00 0.00 C ATOM 1421 O PHE A 95 -1.478 -5.585 -5.593 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.425 -4.348 -3.205 1.00 0.00 C ATOM 1423 CG PHE A 95 0.077 -3.376 -2.174 1.00 0.00 C ATOM 1424 CD1 PHE A 95 -0.513 -2.131 -2.030 1.00 0.00 C ATOM 1425 CD2 PHE A 95 1.142 -3.710 -1.352 1.00 0.00 C ATOM 1426 CE1 PHE A 95 -0.052 -1.236 -1.083 1.00 0.00 C ATOM 1427 CE2 PHE A 95 1.606 -2.819 -0.404 1.00 0.00 C ATOM 1428 CZ PHE A 95 1.010 -1.581 -0.270 1.00 0.00 C ATOM 0 H PHE A 95 -1.291 -2.731 -5.281 1.00 0.00 H new ATOM 0 HA PHE A 95 1.232 -4.107 -4.549 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.513 -4.289 -3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.173 -5.361 -2.890 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.343 -1.857 -2.665 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.614 -4.676 -1.454 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.521 -0.269 -0.979 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.435 -3.091 0.232 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.374 -0.883 0.470 1.00 0.00 H new ATOM 1438 N ILE A 96 0.653 -5.758 -6.317 1.00 0.00 N ATOM 1439 CA ILE A 96 0.367 -6.829 -7.271 1.00 0.00 C ATOM 1440 C ILE A 96 1.083 -8.121 -6.879 1.00 0.00 C ATOM 1441 O ILE A 96 2.315 -8.173 -6.857 1.00 0.00 O ATOM 1442 CB ILE A 96 0.795 -6.434 -8.705 1.00 0.00 C ATOM 1443 CG1 ILE A 96 0.287 -5.032 -9.055 1.00 0.00 C ATOM 1444 CG2 ILE A 96 0.286 -7.454 -9.717 1.00 0.00 C ATOM 1445 CD1 ILE A 96 1.036 -4.385 -10.201 1.00 0.00 C ATOM 0 H ILE A 96 1.630 -5.466 -6.294 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.711 -6.992 -7.251 1.00 0.00 H new ATOM 0 HB ILE A 96 1.884 -6.424 -8.744 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.771 -5.091 -9.311 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.367 -4.395 -8.174 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.597 -7.159 -10.719 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.699 -8.435 -9.483 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.802 -7.498 -9.673 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.622 -3.395 -10.393 1.00 0.00 H new ATOM 0 HD12 ILE A 96 2.091 -4.293 -9.941 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.935 -5.000 -11.095 1.00 0.00 H new ATOM 1457 N SER A 97 0.306 -9.162 -6.579 1.00 0.00 N ATOM 1458 CA SER A 97 0.868 -10.456 -6.194 1.00 0.00 C ATOM 1459 C SER A 97 1.402 -11.200 -7.418 1.00 0.00 C ATOM 1460 O SER A 97 0.723 -12.061 -7.982 1.00 0.00 O ATOM 1461 CB SER A 97 -0.189 -11.304 -5.481 1.00 0.00 C ATOM 1462 OG SER A 97 -0.537 -10.737 -4.229 1.00 0.00 O ATOM 0 H SER A 97 -0.713 -9.134 -6.595 1.00 0.00 H new ATOM 0 HA SER A 97 1.698 -10.278 -5.510 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.078 -11.385 -6.107 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.190 -12.315 -5.333 1.00 0.00 H new ATOM 0 HG SER A 97 -1.215 -11.296 -3.794 1.00 0.00 H new ATOM 1468 N THR A 98 2.623 -10.858 -7.826 1.00 0.00 N ATOM 1469 CA THR A 98 3.254 -11.483 -8.987 1.00 0.00 C ATOM 1470 C THR A 98 3.740 -12.896 -8.660 1.00 0.00 C ATOM 1471 O THR A 98 3.193 -13.877 -9.165 1.00 0.00 O ATOM 1472 CB THR A 98 4.426 -10.629 -9.487 1.00 0.00 C ATOM 1473 OG1 THR A 98 5.011 -9.900 -8.421 1.00 0.00 O ATOM 1474 CG2 THR A 98 4.024 -9.633 -10.554 1.00 0.00 C ATOM 0 H THR A 98 3.196 -10.149 -7.368 1.00 0.00 H new ATOM 0 HA THR A 98 2.504 -11.553 -9.774 1.00 0.00 H new ATOM 0 HB THR A 98 5.135 -11.337 -9.916 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.982 -10.033 -8.428 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.898 -9.060 -10.865 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.614 -10.165 -11.413 1.00 0.00 H new ATOM 0 HG23 THR A 98 3.270 -8.955 -10.154 1.00 0.00 H new