USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 630 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 22 THR OG1 : rot 85:sc= 0.31 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.271 X(o=0.58,f=0.23) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 177:sc= -0.441 (180deg=0) USER MOD Set 2.2: A 68 HIS : no HD1:sc= -0.459 K(o=-0.9,f=0.25) USER MOD Single : A 1 MET CE :methyl -113:sc= -3.61 (180deg=-7.37!) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.0901 (180deg=0) USER MOD Single : A 2 GLN : amide:sc=-0.00689 K(o=-0.0069,f=-0.93) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00113 USER MOD Single : A 9 THR OG1 : rot 100:sc= -0.666 USER MOD Single : A 11 LYS NZ :NH3+ -149:sc= 0.837 (180deg=0.203) USER MOD Single : A 12 THR OG1 : rot 7:sc= 1.14 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -17:sc= 0.369 USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= -1.25 (180deg=-1.33) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0647) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.561 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.18 K(o=-1.2,f=-6.3!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 155:sc= -0.0488 (180deg=-1.17) USER MOD Single : A 65 SER OG : rot 76:sc= 0.429 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.982 6.427 3.108 1.00 0.00 N ATOM 2 CA MET A 1 -15.041 5.577 2.333 1.00 0.00 C ATOM 3 C MET A 1 -15.133 4.117 2.775 1.00 0.00 C ATOM 4 O MET A 1 -15.770 3.808 3.781 1.00 0.00 O ATOM 5 CB MET A 1 -13.620 6.120 2.540 1.00 0.00 C ATOM 6 CG MET A 1 -12.619 5.693 1.472 1.00 0.00 C ATOM 7 SD MET A 1 -13.255 5.849 -0.211 1.00 0.00 S ATOM 8 CE MET A 1 -12.661 4.327 -0.941 1.00 0.00 C ATOM 0 H1 MET A 1 -16.665 6.868 2.460 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.490 5.840 3.800 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.450 7.168 3.607 1.00 0.00 H new ATOM 0 HA MET A 1 -15.301 5.610 1.275 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.661 7.209 2.567 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.257 5.790 3.513 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.716 6.296 1.569 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.330 4.657 1.649 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.912 4.555 -1.700 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.215 3.702 -0.167 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.494 3.795 -1.401 1.00 0.00 H new ATOM 20 N GLN A 2 -14.506 3.220 2.015 1.00 0.00 N ATOM 21 CA GLN A 2 -14.540 1.796 2.336 1.00 0.00 C ATOM 22 C GLN A 2 -13.463 1.426 3.355 1.00 0.00 C ATOM 23 O GLN A 2 -13.726 0.661 4.283 1.00 0.00 O ATOM 24 CB GLN A 2 -14.363 0.956 1.070 1.00 0.00 C ATOM 25 CG GLN A 2 -15.298 1.355 -0.061 1.00 0.00 C ATOM 26 CD GLN A 2 -16.761 1.171 0.301 1.00 0.00 C ATOM 27 OE1 GLN A 2 -17.102 0.343 1.145 1.00 0.00 O ATOM 28 NE2 GLN A 2 -17.639 1.945 -0.336 1.00 0.00 N ATOM 0 H GLN A 2 -13.972 3.453 1.178 1.00 0.00 H new ATOM 0 HA GLN A 2 -15.515 1.584 2.776 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -13.332 1.044 0.726 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -14.529 -0.093 1.314 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.121 2.398 -0.324 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.068 0.760 -0.945 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -17.315 2.620 -1.029 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.635 1.863 -0.130 1.00 0.00 H new ATOM 37 N ILE A 3 -12.253 1.961 3.189 1.00 0.00 N ATOM 38 CA ILE A 3 -11.169 1.654 4.116 1.00 0.00 C ATOM 39 C ILE A 3 -10.341 2.894 4.446 1.00 0.00 C ATOM 40 O ILE A 3 -10.429 3.912 3.760 1.00 0.00 O ATOM 41 CB ILE A 3 -10.241 0.559 3.555 1.00 0.00 C ATOM 42 CG1 ILE A 3 -9.535 1.047 2.287 1.00 0.00 C ATOM 43 CG2 ILE A 3 -11.031 -0.710 3.275 1.00 0.00 C ATOM 44 CD1 ILE A 3 -8.029 1.116 2.426 1.00 0.00 C ATOM 0 H ILE A 3 -12.003 2.599 2.433 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.638 1.290 5.030 1.00 0.00 H new ATOM 0 HB ILE A 3 -9.480 0.334 4.302 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.786 0.381 1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.914 2.035 2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.363 -1.475 2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.485 -1.068 4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.813 -0.498 2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.593 1.469 1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.769 1.804 3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.639 0.125 2.656 1.00 0.00 H new ATOM 56 N PHE A 4 -9.537 2.801 5.506 1.00 0.00 N ATOM 57 CA PHE A 4 -8.696 3.916 5.927 1.00 0.00 C ATOM 58 C PHE A 4 -7.248 3.466 6.112 1.00 0.00 C ATOM 59 O PHE A 4 -6.940 2.700 7.024 1.00 0.00 O ATOM 60 CB PHE A 4 -9.225 4.516 7.230 1.00 0.00 C ATOM 61 CG PHE A 4 -10.628 5.042 7.124 1.00 0.00 C ATOM 62 CD1 PHE A 4 -11.713 4.201 7.311 1.00 0.00 C ATOM 63 CD2 PHE A 4 -10.862 6.377 6.837 1.00 0.00 C ATOM 64 CE1 PHE A 4 -13.006 4.682 7.215 1.00 0.00 C ATOM 65 CE2 PHE A 4 -12.151 6.864 6.739 1.00 0.00 C ATOM 66 CZ PHE A 4 -13.225 6.015 6.928 1.00 0.00 C ATOM 0 H PHE A 4 -9.452 1.966 6.086 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.725 4.676 5.146 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.189 3.756 8.011 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.565 5.326 7.542 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -11.547 3.157 7.534 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -10.027 7.045 6.688 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -13.843 4.016 7.364 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -12.319 7.907 6.515 1.00 0.00 H new ATOM 0 HZ PHE A 4 -14.234 6.393 6.851 1.00 0.00 H new ATOM 76 N VAL A 5 -6.362 3.947 5.242 1.00 0.00 N ATOM 77 CA VAL A 5 -4.950 3.591 5.316 1.00 0.00 C ATOM 78 C VAL A 5 -4.105 4.796 5.727 1.00 0.00 C ATOM 79 O VAL A 5 -4.504 5.940 5.516 1.00 0.00 O ATOM 80 CB VAL A 5 -4.439 3.050 3.966 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.003 2.561 4.086 1.00 0.00 C ATOM 82 CG2 VAL A 5 -5.345 1.938 3.459 1.00 0.00 C ATOM 0 H VAL A 5 -6.598 4.583 4.480 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.854 2.809 6.070 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.458 3.866 3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.665 2.184 3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.363 3.386 4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.951 1.762 4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.969 1.568 2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.361 1.123 4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.355 2.324 3.325 1.00 0.00 H new ATOM 92 N LYS A 6 -2.939 4.535 6.318 1.00 0.00 N ATOM 93 CA LYS A 6 -2.053 5.607 6.754 1.00 0.00 C ATOM 94 C LYS A 6 -0.841 5.716 5.830 1.00 0.00 C ATOM 95 O LYS A 6 -0.572 4.813 5.038 1.00 0.00 O ATOM 96 CB LYS A 6 -1.593 5.364 8.193 1.00 0.00 C ATOM 97 CG LYS A 6 -2.676 5.613 9.229 1.00 0.00 C ATOM 98 CD LYS A 6 -3.322 4.315 9.684 1.00 0.00 C ATOM 99 CE LYS A 6 -4.515 4.574 10.590 1.00 0.00 C ATOM 100 NZ LYS A 6 -4.587 3.593 11.709 1.00 0.00 N ATOM 0 H LYS A 6 -2.590 3.595 6.504 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.607 6.545 6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.244 4.336 8.285 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.742 6.010 8.407 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.247 6.128 10.089 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.437 6.272 8.810 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.642 3.742 8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.587 3.708 10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.450 5.583 10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.433 4.525 10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.384 3.835 12.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.726 2.637 11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.701 3.622 12.253 1.00 0.00 H new ATOM 114 N THR A 7 -0.115 6.828 5.932 1.00 0.00 N ATOM 115 CA THR A 7 1.061 7.048 5.099 1.00 0.00 C ATOM 116 C THR A 7 2.345 6.970 5.942 1.00 0.00 C ATOM 117 O THR A 7 2.427 6.142 6.850 1.00 0.00 O ATOM 118 CB THR A 7 0.928 8.385 4.363 1.00 0.00 C ATOM 119 OG1 THR A 7 0.921 9.468 5.277 1.00 0.00 O ATOM 120 CG2 THR A 7 -0.336 8.471 3.531 1.00 0.00 C ATOM 0 H THR A 7 -0.321 7.587 6.582 1.00 0.00 H new ATOM 0 HA THR A 7 1.130 6.260 4.349 1.00 0.00 H new ATOM 0 HB THR A 7 1.792 8.444 3.701 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.837 10.311 4.785 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.378 9.439 3.032 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.334 7.677 2.784 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.206 8.358 4.178 1.00 0.00 H new ATOM 128 N LEU A 8 3.352 7.804 5.655 1.00 0.00 N ATOM 129 CA LEU A 8 4.598 7.758 6.418 1.00 0.00 C ATOM 130 C LEU A 8 4.377 8.162 7.876 1.00 0.00 C ATOM 131 O LEU A 8 4.973 7.581 8.784 1.00 0.00 O ATOM 132 CB LEU A 8 5.676 8.634 5.763 1.00 0.00 C ATOM 133 CG LEU A 8 5.584 10.135 6.058 1.00 0.00 C ATOM 134 CD1 LEU A 8 6.941 10.797 5.868 1.00 0.00 C ATOM 135 CD2 LEU A 8 4.541 10.790 5.164 1.00 0.00 C ATOM 0 H LEU A 8 3.328 8.505 4.914 1.00 0.00 H new ATOM 0 HA LEU A 8 4.949 6.726 6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.654 8.278 6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.627 8.491 4.683 1.00 0.00 H new ATOM 0 HG LEU A 8 5.278 10.266 7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.859 11.863 6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.664 10.346 6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.273 10.657 4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.489 11.856 5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.818 10.651 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.568 10.333 5.345 1.00 0.00 H new ATOM 147 N THR A 9 3.519 9.157 8.101 1.00 0.00 N ATOM 148 CA THR A 9 3.233 9.623 9.453 1.00 0.00 C ATOM 149 C THR A 9 1.832 9.200 9.890 1.00 0.00 C ATOM 150 O THR A 9 1.674 8.474 10.872 1.00 0.00 O ATOM 151 CB THR A 9 3.368 11.146 9.529 1.00 0.00 C ATOM 152 OG1 THR A 9 4.504 11.590 8.803 1.00 0.00 O ATOM 153 CG2 THR A 9 3.490 11.666 10.946 1.00 0.00 C ATOM 0 H THR A 9 3.013 9.652 7.367 1.00 0.00 H new ATOM 0 HA THR A 9 3.957 9.168 10.129 1.00 0.00 H new ATOM 0 HB THR A 9 2.449 11.539 9.095 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.222 11.925 7.926 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.582 12.752 10.928 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.603 11.386 11.514 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.373 11.234 11.417 1.00 0.00 H new ATOM 161 N GLY A 10 0.817 9.655 9.157 1.00 0.00 N ATOM 162 CA GLY A 10 -0.553 9.303 9.497 1.00 0.00 C ATOM 163 C GLY A 10 -1.580 10.170 8.790 1.00 0.00 C ATOM 164 O GLY A 10 -2.453 10.754 9.434 1.00 0.00 O ATOM 0 H GLY A 10 0.917 10.257 8.340 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.729 8.258 9.240 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.689 9.393 10.575 1.00 0.00 H new ATOM 168 N LYS A 11 -1.485 10.254 7.463 1.00 0.00 N ATOM 169 CA LYS A 11 -2.422 11.055 6.681 1.00 0.00 C ATOM 170 C LYS A 11 -3.691 10.259 6.379 1.00 0.00 C ATOM 171 O LYS A 11 -3.691 9.031 6.446 1.00 0.00 O ATOM 172 CB LYS A 11 -1.773 11.520 5.374 1.00 0.00 C ATOM 173 CG LYS A 11 -2.495 12.685 4.716 1.00 0.00 C ATOM 174 CD LYS A 11 -1.668 13.290 3.594 1.00 0.00 C ATOM 175 CE LYS A 11 -2.550 13.818 2.473 1.00 0.00 C ATOM 176 NZ LYS A 11 -1.979 13.520 1.130 1.00 0.00 N ATOM 0 H LYS A 11 -0.771 9.779 6.910 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.691 11.931 7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.741 11.809 5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.741 10.683 4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.452 12.345 4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.711 13.449 5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.055 14.101 3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.985 12.538 3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.542 13.374 2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.673 14.895 2.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.250 14.271 0.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.942 13.473 1.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.346 12.608 0.792 1.00 0.00 H new ATOM 190 N THR A 12 -4.770 10.964 6.044 1.00 0.00 N ATOM 191 CA THR A 12 -6.038 10.310 5.732 1.00 0.00 C ATOM 192 C THR A 12 -6.186 10.100 4.227 1.00 0.00 C ATOM 193 O THR A 12 -6.460 11.044 3.485 1.00 0.00 O ATOM 194 CB THR A 12 -7.211 11.139 6.261 1.00 0.00 C ATOM 195 OG1 THR A 12 -7.376 12.319 5.495 1.00 0.00 O ATOM 196 CG2 THR A 12 -7.048 11.550 7.708 1.00 0.00 C ATOM 0 H THR A 12 -4.792 11.982 5.982 1.00 0.00 H new ATOM 0 HA THR A 12 -6.044 9.335 6.220 1.00 0.00 H new ATOM 0 HB THR A 12 -8.083 10.491 6.180 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.776 12.293 4.721 1.00 0.00 H new ATOM 0 HG21 THR A 12 -7.913 12.135 8.020 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.967 10.660 8.332 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.146 12.152 7.816 1.00 0.00 H new ATOM 204 N ILE A 13 -6.005 8.859 3.777 1.00 0.00 N ATOM 205 CA ILE A 13 -6.122 8.537 2.360 1.00 0.00 C ATOM 206 C ILE A 13 -7.299 7.599 2.103 1.00 0.00 C ATOM 207 O ILE A 13 -7.705 6.842 2.985 1.00 0.00 O ATOM 208 CB ILE A 13 -4.833 7.887 1.820 1.00 0.00 C ATOM 209 CG1 ILE A 13 -4.474 6.648 2.639 1.00 0.00 C ATOM 210 CG2 ILE A 13 -3.688 8.890 1.837 1.00 0.00 C ATOM 211 CD1 ILE A 13 -3.473 5.742 1.957 1.00 0.00 C ATOM 0 H ILE A 13 -5.777 8.064 4.373 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.290 9.478 1.837 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.006 7.577 0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.070 6.963 3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.383 6.082 2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.784 8.417 1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.944 9.745 1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.515 9.227 2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.265 4.883 2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.882 5.397 1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.549 6.292 1.776 1.00 0.00 H new ATOM 223 N THR A 14 -7.847 7.655 0.890 1.00 0.00 N ATOM 224 CA THR A 14 -8.980 6.813 0.522 1.00 0.00 C ATOM 225 C THR A 14 -8.542 5.686 -0.412 1.00 0.00 C ATOM 226 O THR A 14 -7.596 5.846 -1.181 1.00 0.00 O ATOM 227 CB THR A 14 -10.067 7.656 -0.152 1.00 0.00 C ATOM 228 OG1 THR A 14 -9.768 7.867 -1.525 1.00 0.00 O ATOM 229 CG2 THR A 14 -10.265 9.012 0.493 1.00 0.00 C ATOM 0 H THR A 14 -7.524 8.275 0.147 1.00 0.00 H new ATOM 0 HA THR A 14 -9.383 6.369 1.432 1.00 0.00 H new ATOM 0 HB THR A 14 -10.986 7.082 -0.035 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.476 8.406 -1.935 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.049 9.555 -0.035 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.554 8.880 1.536 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.335 9.578 0.443 1.00 0.00 H new ATOM 237 N LEU A 15 -9.233 4.545 -0.345 1.00 0.00 N ATOM 238 CA LEU A 15 -8.895 3.408 -1.196 1.00 0.00 C ATOM 239 C LEU A 15 -10.122 2.894 -1.947 1.00 0.00 C ATOM 240 O LEU A 15 -10.825 2.006 -1.467 1.00 0.00 O ATOM 241 CB LEU A 15 -8.285 2.281 -0.363 1.00 0.00 C ATOM 242 CG LEU A 15 -7.188 1.478 -1.066 1.00 0.00 C ATOM 243 CD1 LEU A 15 -5.812 1.938 -0.610 1.00 0.00 C ATOM 244 CD2 LEU A 15 -7.365 -0.011 -0.809 1.00 0.00 C ATOM 0 H LEU A 15 -10.021 4.387 0.283 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.163 3.748 -1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.873 2.708 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.081 1.598 -0.066 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.271 1.653 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.046 1.355 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.684 2.994 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.719 1.795 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.575 -0.564 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.312 -0.204 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.335 -0.333 -1.188 1.00 0.00 H new ATOM 256 N GLU A 16 -10.370 3.454 -3.130 1.00 0.00 N ATOM 257 CA GLU A 16 -11.509 3.043 -3.944 1.00 0.00 C ATOM 258 C GLU A 16 -11.063 2.104 -5.066 1.00 0.00 C ATOM 259 O GLU A 16 -10.637 2.555 -6.129 1.00 0.00 O ATOM 260 CB GLU A 16 -12.214 4.266 -4.535 1.00 0.00 C ATOM 261 CG GLU A 16 -11.319 5.120 -5.419 1.00 0.00 C ATOM 262 CD GLU A 16 -11.863 5.275 -6.826 1.00 0.00 C ATOM 263 OE1 GLU A 16 -12.494 4.321 -7.326 1.00 0.00 O ATOM 264 OE2 GLU A 16 -11.658 6.351 -7.427 1.00 0.00 O ATOM 0 H GLU A 16 -9.799 4.191 -3.544 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.209 2.509 -3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.073 3.933 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.599 4.881 -3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.203 6.106 -4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.326 4.672 -5.465 1.00 0.00 H new ATOM 271 N VAL A 17 -11.158 0.797 -4.823 1.00 0.00 N ATOM 272 CA VAL A 17 -10.758 -0.192 -5.816 1.00 0.00 C ATOM 273 C VAL A 17 -11.848 -1.241 -6.024 1.00 0.00 C ATOM 274 O VAL A 17 -12.858 -1.247 -5.319 1.00 0.00 O ATOM 275 CB VAL A 17 -9.452 -0.900 -5.406 1.00 0.00 C ATOM 276 CG1 VAL A 17 -8.295 0.085 -5.384 1.00 0.00 C ATOM 277 CG2 VAL A 17 -9.615 -1.575 -4.053 1.00 0.00 C ATOM 0 H VAL A 17 -11.507 0.402 -3.950 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.596 0.346 -6.750 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.228 -1.669 -6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.381 -0.433 -5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.166 0.517 -6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.506 0.879 -4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.683 -2.070 -3.779 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.863 -0.827 -3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.415 -2.313 -4.109 1.00 0.00 H new ATOM 287 N GLU A 18 -11.643 -2.128 -6.998 1.00 0.00 N ATOM 288 CA GLU A 18 -12.612 -3.176 -7.293 1.00 0.00 C ATOM 289 C GLU A 18 -12.163 -4.518 -6.718 1.00 0.00 C ATOM 290 O GLU A 18 -10.982 -4.715 -6.430 1.00 0.00 O ATOM 291 CB GLU A 18 -12.817 -3.300 -8.805 1.00 0.00 C ATOM 292 CG GLU A 18 -11.567 -3.733 -9.554 1.00 0.00 C ATOM 293 CD GLU A 18 -11.107 -2.704 -10.568 1.00 0.00 C ATOM 294 OE1 GLU A 18 -11.972 -2.091 -11.227 1.00 0.00 O ATOM 295 OE2 GLU A 18 -9.880 -2.511 -10.703 1.00 0.00 O ATOM 0 H GLU A 18 -10.815 -2.139 -7.594 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.557 -2.900 -6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.613 -4.019 -8.998 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.152 -2.340 -9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.765 -3.916 -8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.762 -4.677 -10.063 1.00 0.00 H new ATOM 302 N PRO A 19 -13.105 -5.462 -6.545 1.00 0.00 N ATOM 303 CA PRO A 19 -12.803 -6.792 -6.002 1.00 0.00 C ATOM 304 C PRO A 19 -11.713 -7.521 -6.789 1.00 0.00 C ATOM 305 O PRO A 19 -10.980 -8.338 -6.232 1.00 0.00 O ATOM 306 CB PRO A 19 -14.135 -7.540 -6.123 1.00 0.00 C ATOM 307 CG PRO A 19 -15.171 -6.472 -6.161 1.00 0.00 C ATOM 308 CD PRO A 19 -14.535 -5.306 -6.864 1.00 0.00 C ATOM 0 HA PRO A 19 -12.420 -6.730 -4.983 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.164 -8.151 -7.025 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.290 -8.211 -5.278 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.061 -6.810 -6.692 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.485 -6.197 -5.154 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.714 -5.337 -7.939 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.927 -4.355 -6.503 1.00 0.00 H new ATOM 316 N SER A 20 -11.608 -7.228 -8.087 1.00 0.00 N ATOM 317 CA SER A 20 -10.603 -7.870 -8.932 1.00 0.00 C ATOM 318 C SER A 20 -9.218 -7.245 -8.738 1.00 0.00 C ATOM 319 O SER A 20 -8.213 -7.827 -9.148 1.00 0.00 O ATOM 320 CB SER A 20 -11.007 -7.780 -10.407 1.00 0.00 C ATOM 321 OG SER A 20 -10.016 -8.350 -11.244 1.00 0.00 O ATOM 0 H SER A 20 -12.202 -6.555 -8.572 1.00 0.00 H new ATOM 0 HA SER A 20 -10.548 -8.917 -8.634 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.956 -8.295 -10.559 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.163 -6.737 -10.681 1.00 0.00 H new ATOM 0 HG SER A 20 -9.177 -8.436 -10.746 1.00 0.00 H new ATOM 327 N ASP A 21 -9.160 -6.065 -8.115 1.00 0.00 N ATOM 328 CA ASP A 21 -7.882 -5.395 -7.886 1.00 0.00 C ATOM 329 C ASP A 21 -7.005 -6.209 -6.936 1.00 0.00 C ATOM 330 O ASP A 21 -7.400 -6.494 -5.806 1.00 0.00 O ATOM 331 CB ASP A 21 -8.103 -3.990 -7.316 1.00 0.00 C ATOM 332 CG ASP A 21 -7.137 -2.974 -7.892 1.00 0.00 C ATOM 333 OD1 ASP A 21 -6.905 -3.004 -9.119 1.00 0.00 O ATOM 334 OD2 ASP A 21 -6.612 -2.147 -7.116 1.00 0.00 O ATOM 0 H ASP A 21 -9.974 -5.560 -7.765 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.372 -5.310 -8.846 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.125 -3.673 -7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.992 -4.019 -6.232 1.00 0.00 H new ATOM 339 N THR A 22 -5.811 -6.579 -7.399 1.00 0.00 N ATOM 340 CA THR A 22 -4.885 -7.359 -6.582 1.00 0.00 C ATOM 341 C THR A 22 -4.054 -6.447 -5.683 1.00 0.00 C ATOM 342 O THR A 22 -4.193 -5.225 -5.729 1.00 0.00 O ATOM 343 CB THR A 22 -3.962 -8.201 -7.472 1.00 0.00 C ATOM 344 OG1 THR A 22 -4.470 -8.285 -8.796 1.00 0.00 O ATOM 345 CG2 THR A 22 -3.763 -9.613 -6.963 1.00 0.00 C ATOM 0 H THR A 22 -5.465 -6.352 -8.331 1.00 0.00 H new ATOM 0 HA THR A 22 -5.472 -8.027 -5.951 1.00 0.00 H new ATOM 0 HB THR A 22 -3.001 -7.687 -7.454 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.180 -7.501 -9.308 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.100 -10.153 -7.639 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.320 -9.582 -5.968 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.726 -10.122 -6.915 1.00 0.00 H new ATOM 353 N ILE A 23 -3.186 -7.044 -4.866 1.00 0.00 N ATOM 354 CA ILE A 23 -2.337 -6.271 -3.964 1.00 0.00 C ATOM 355 C ILE A 23 -1.301 -5.459 -4.744 1.00 0.00 C ATOM 356 O ILE A 23 -1.009 -4.315 -4.393 1.00 0.00 O ATOM 357 CB ILE A 23 -1.609 -7.176 -2.945 1.00 0.00 C ATOM 358 CG1 ILE A 23 -2.621 -8.015 -2.161 1.00 0.00 C ATOM 359 CG2 ILE A 23 -0.762 -6.339 -1.993 1.00 0.00 C ATOM 360 CD1 ILE A 23 -2.071 -9.346 -1.697 1.00 0.00 C ATOM 0 H ILE A 23 -3.054 -8.054 -4.811 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.995 -5.593 -3.421 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.948 -7.848 -3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.957 -7.447 -1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.497 -8.191 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.257 -6.994 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.019 -5.780 -2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.403 -5.643 -1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.842 -9.887 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.761 -9.933 -2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.213 -9.178 -1.046 1.00 0.00 H new ATOM 372 N GLU A 24 -0.748 -6.053 -5.800 1.00 0.00 N ATOM 373 CA GLU A 24 0.255 -5.370 -6.617 1.00 0.00 C ATOM 374 C GLU A 24 -0.356 -4.180 -7.356 1.00 0.00 C ATOM 375 O GLU A 24 0.259 -3.117 -7.448 1.00 0.00 O ATOM 376 CB GLU A 24 0.880 -6.341 -7.624 1.00 0.00 C ATOM 377 CG GLU A 24 1.883 -7.299 -7.004 1.00 0.00 C ATOM 378 CD GLU A 24 3.288 -6.733 -6.971 1.00 0.00 C ATOM 379 OE1 GLU A 24 3.430 -5.506 -6.787 1.00 0.00 O ATOM 380 OE2 GLU A 24 4.248 -7.517 -7.131 1.00 0.00 O ATOM 0 H GLU A 24 -0.975 -6.998 -6.109 1.00 0.00 H new ATOM 0 HA GLU A 24 1.033 -5.000 -5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.087 -6.917 -8.101 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.374 -5.769 -8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.569 -7.540 -5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.885 -8.232 -7.568 1.00 0.00 H new ATOM 387 N ASN A 25 -1.567 -4.359 -7.883 1.00 0.00 N ATOM 388 CA ASN A 25 -2.245 -3.290 -8.612 1.00 0.00 C ATOM 389 C ASN A 25 -2.523 -2.096 -7.700 1.00 0.00 C ATOM 390 O ASN A 25 -2.280 -0.949 -8.076 1.00 0.00 O ATOM 391 CB ASN A 25 -3.558 -3.796 -9.217 1.00 0.00 C ATOM 392 CG ASN A 25 -3.336 -4.636 -10.462 1.00 0.00 C ATOM 393 OD1 ASN A 25 -3.582 -5.842 -10.459 1.00 0.00 O ATOM 394 ND2 ASN A 25 -2.868 -4.005 -11.537 1.00 0.00 N ATOM 0 H ASN A 25 -2.095 -5.229 -7.819 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.585 -2.968 -9.417 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.093 -4.387 -8.474 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.193 -2.945 -9.465 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.701 -4.523 -12.400 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.677 -3.004 -11.498 1.00 0.00 H new ATOM 401 N VAL A 26 -3.033 -2.369 -6.500 1.00 0.00 N ATOM 402 CA VAL A 26 -3.340 -1.307 -5.544 1.00 0.00 C ATOM 403 C VAL A 26 -2.076 -0.564 -5.105 1.00 0.00 C ATOM 404 O VAL A 26 -2.133 0.621 -4.778 1.00 0.00 O ATOM 405 CB VAL A 26 -4.060 -1.853 -4.294 1.00 0.00 C ATOM 406 CG1 VAL A 26 -5.404 -2.456 -4.671 1.00 0.00 C ATOM 407 CG2 VAL A 26 -3.190 -2.878 -3.581 1.00 0.00 C ATOM 0 H VAL A 26 -3.241 -3.311 -6.168 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.003 -0.613 -6.061 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.239 -1.023 -3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.896 -2.836 -3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.029 -1.692 -5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.251 -3.274 -5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.715 -3.252 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.977 -3.707 -4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.255 -2.410 -3.274 1.00 0.00 H new ATOM 417 N LYS A 27 -0.937 -1.259 -5.096 1.00 0.00 N ATOM 418 CA LYS A 27 0.326 -0.642 -4.690 1.00 0.00 C ATOM 419 C LYS A 27 0.615 0.603 -5.526 1.00 0.00 C ATOM 420 O LYS A 27 1.016 1.638 -4.993 1.00 0.00 O ATOM 421 CB LYS A 27 1.484 -1.637 -4.822 1.00 0.00 C ATOM 422 CG LYS A 27 2.521 -1.514 -3.717 1.00 0.00 C ATOM 423 CD LYS A 27 3.424 -0.311 -3.932 1.00 0.00 C ATOM 424 CE LYS A 27 3.828 0.325 -2.611 1.00 0.00 C ATOM 425 NZ LYS A 27 5.121 -0.213 -2.108 1.00 0.00 N ATOM 0 H LYS A 27 -0.863 -2.241 -5.363 1.00 0.00 H new ATOM 0 HA LYS A 27 0.232 -0.348 -3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.083 -2.651 -4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.972 -1.488 -5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.019 -1.426 -2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.124 -2.421 -3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.316 -0.617 -4.478 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.910 0.426 -4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.909 1.405 -2.738 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.049 0.148 -1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.437 0.349 -1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.996 -1.204 -1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.836 -0.160 -2.862 1.00 0.00 H new ATOM 439 N ALA A 28 0.402 0.502 -6.838 1.00 0.00 N ATOM 440 CA ALA A 28 0.636 1.632 -7.735 1.00 0.00 C ATOM 441 C ALA A 28 -0.373 2.753 -7.481 1.00 0.00 C ATOM 442 O ALA A 28 -0.049 3.931 -7.625 1.00 0.00 O ATOM 443 CB ALA A 28 0.575 1.184 -9.189 1.00 0.00 C ATOM 0 H ALA A 28 0.070 -0.345 -7.300 1.00 0.00 H new ATOM 0 HA ALA A 28 1.634 2.020 -7.532 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.752 2.039 -9.841 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.338 0.427 -9.369 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.409 0.764 -9.399 1.00 0.00 H new ATOM 449 N LYS A 29 -1.596 2.381 -7.098 1.00 0.00 N ATOM 450 CA LYS A 29 -2.643 3.363 -6.822 1.00 0.00 C ATOM 451 C LYS A 29 -2.268 4.245 -5.631 1.00 0.00 C ATOM 452 O LYS A 29 -2.685 5.400 -5.553 1.00 0.00 O ATOM 453 CB LYS A 29 -3.980 2.666 -6.552 1.00 0.00 C ATOM 454 CG LYS A 29 -5.187 3.572 -6.737 1.00 0.00 C ATOM 455 CD LYS A 29 -6.477 2.772 -6.825 1.00 0.00 C ATOM 456 CE LYS A 29 -6.938 2.614 -8.264 1.00 0.00 C ATOM 457 NZ LYS A 29 -6.198 1.530 -8.969 1.00 0.00 N ATOM 0 H LYS A 29 -1.884 1.411 -6.973 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.745 3.996 -7.704 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.074 1.809 -7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.979 2.279 -5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.248 4.272 -5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.063 4.165 -7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.327 1.788 -6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.255 3.269 -6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.006 2.395 -8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.797 3.555 -8.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.621 1.374 -9.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.201 1.805 -9.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.255 0.653 -8.413 1.00 0.00 H new ATOM 471 N ILE A 30 -1.469 3.703 -4.710 1.00 0.00 N ATOM 472 CA ILE A 30 -1.038 4.460 -3.543 1.00 0.00 C ATOM 473 C ILE A 30 0.032 5.462 -3.944 1.00 0.00 C ATOM 474 O ILE A 30 -0.025 6.633 -3.570 1.00 0.00 O ATOM 475 CB ILE A 30 -0.483 3.542 -2.432 1.00 0.00 C ATOM 476 CG1 ILE A 30 -1.487 2.435 -2.103 1.00 0.00 C ATOM 477 CG2 ILE A 30 -0.155 4.352 -1.187 1.00 0.00 C ATOM 478 CD1 ILE A 30 -2.851 2.953 -1.704 1.00 0.00 C ATOM 0 H ILE A 30 -1.111 2.749 -4.753 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.912 4.978 -3.149 1.00 0.00 H new ATOM 0 HB ILE A 30 0.435 3.079 -2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.594 1.784 -2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.089 1.824 -1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.235 3.690 -0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.594 5.106 -1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.058 4.842 -0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.510 2.113 -1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.757 3.580 -0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.271 3.540 -2.521 1.00 0.00 H new ATOM 490 N GLN A 31 1.003 4.997 -4.729 1.00 0.00 N ATOM 491 CA GLN A 31 2.074 5.864 -5.200 1.00 0.00 C ATOM 492 C GLN A 31 1.505 6.937 -6.128 1.00 0.00 C ATOM 493 O GLN A 31 1.900 8.101 -6.065 1.00 0.00 O ATOM 494 CB GLN A 31 3.152 5.048 -5.925 1.00 0.00 C ATOM 495 CG GLN A 31 4.210 5.899 -6.609 1.00 0.00 C ATOM 496 CD GLN A 31 5.321 5.066 -7.225 1.00 0.00 C ATOM 497 OE1 GLN A 31 5.100 3.927 -7.635 1.00 0.00 O ATOM 498 NE2 GLN A 31 6.526 5.630 -7.295 1.00 0.00 N ATOM 0 H GLN A 31 1.067 4.031 -5.049 1.00 0.00 H new ATOM 0 HA GLN A 31 2.535 6.348 -4.339 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.639 4.388 -5.207 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.673 4.412 -6.670 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.740 6.502 -7.386 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.639 6.591 -5.884 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.667 6.577 -6.943 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.308 5.115 -7.700 1.00 0.00 H new ATOM 507 N ASP A 32 0.561 6.535 -6.984 1.00 0.00 N ATOM 508 CA ASP A 32 -0.074 7.463 -7.919 1.00 0.00 C ATOM 509 C ASP A 32 -0.811 8.583 -7.177 1.00 0.00 C ATOM 510 O ASP A 32 -1.019 9.664 -7.728 1.00 0.00 O ATOM 511 CB ASP A 32 -1.056 6.720 -8.837 1.00 0.00 C ATOM 512 CG ASP A 32 -0.808 7.010 -10.304 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.710 8.202 -10.664 1.00 0.00 O ATOM 514 OD2 ASP A 32 -0.712 6.046 -11.092 1.00 0.00 O ATOM 0 H ASP A 32 0.222 5.575 -7.047 1.00 0.00 H new ATOM 0 HA ASP A 32 0.715 7.909 -8.524 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.972 5.647 -8.662 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.076 7.006 -8.580 1.00 0.00 H new ATOM 519 N LYS A 33 -1.214 8.320 -5.931 1.00 0.00 N ATOM 520 CA LYS A 33 -1.933 9.315 -5.141 1.00 0.00 C ATOM 521 C LYS A 33 -0.994 10.409 -4.640 1.00 0.00 C ATOM 522 O LYS A 33 -1.229 11.594 -4.881 1.00 0.00 O ATOM 523 CB LYS A 33 -2.636 8.652 -3.953 1.00 0.00 C ATOM 524 CG LYS A 33 -3.884 7.875 -4.340 1.00 0.00 C ATOM 525 CD LYS A 33 -5.142 8.711 -4.158 1.00 0.00 C ATOM 526 CE LYS A 33 -6.246 7.917 -3.479 1.00 0.00 C ATOM 527 NZ LYS A 33 -7.065 7.152 -4.459 1.00 0.00 N ATOM 0 H LYS A 33 -1.055 7.433 -5.453 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.680 9.773 -5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.937 7.977 -3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.906 9.419 -3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.806 7.555 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.955 6.973 -3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.910 9.595 -3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.490 9.063 -5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.806 7.228 -2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.890 8.596 -2.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.806 6.625 -3.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.506 7.811 -5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.456 6.485 -4.975 1.00 0.00 H new ATOM 541 N GLU A 34 0.066 10.015 -3.936 1.00 0.00 N ATOM 542 CA GLU A 34 1.023 10.981 -3.404 1.00 0.00 C ATOM 543 C GLU A 34 2.398 10.804 -4.042 1.00 0.00 C ATOM 544 O GLU A 34 3.007 11.772 -4.498 1.00 0.00 O ATOM 545 CB GLU A 34 1.130 10.838 -1.885 1.00 0.00 C ATOM 546 CG GLU A 34 1.909 11.963 -1.223 1.00 0.00 C ATOM 547 CD GLU A 34 1.242 12.468 0.042 1.00 0.00 C ATOM 548 OE1 GLU A 34 0.315 13.297 -0.066 1.00 0.00 O ATOM 549 OE2 GLU A 34 1.648 12.034 1.140 1.00 0.00 O ATOM 0 H GLU A 34 0.282 9.041 -3.722 1.00 0.00 H new ATOM 0 HA GLU A 34 0.661 11.980 -3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.127 10.802 -1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.610 9.888 -1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.914 11.613 -0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.017 12.788 -1.927 1.00 0.00 H new ATOM 556 N GLY A 35 2.891 9.568 -4.061 1.00 0.00 N ATOM 557 CA GLY A 35 4.193 9.301 -4.634 1.00 0.00 C ATOM 558 C GLY A 35 5.189 8.849 -3.585 1.00 0.00 C ATOM 559 O GLY A 35 6.172 9.537 -3.319 1.00 0.00 O ATOM 0 H GLY A 35 2.410 8.749 -3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.101 8.533 -5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.565 10.200 -5.125 1.00 0.00 H new ATOM 563 N ILE A 36 4.924 7.692 -2.977 1.00 0.00 N ATOM 564 CA ILE A 36 5.802 7.159 -1.937 1.00 0.00 C ATOM 565 C ILE A 36 7.053 6.515 -2.540 1.00 0.00 C ATOM 566 O ILE A 36 6.970 5.475 -3.195 1.00 0.00 O ATOM 567 CB ILE A 36 5.077 6.115 -1.062 1.00 0.00 C ATOM 568 CG1 ILE A 36 4.606 4.931 -1.914 1.00 0.00 C ATOM 569 CG2 ILE A 36 3.903 6.754 -0.338 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.325 3.637 -1.599 1.00 0.00 C ATOM 0 H ILE A 36 4.113 7.110 -3.186 1.00 0.00 H new ATOM 0 HA ILE A 36 6.095 8.005 -1.315 1.00 0.00 H new ATOM 0 HB ILE A 36 5.779 5.741 -0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.536 4.789 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.751 5.171 -2.967 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.402 6.005 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.264 7.561 0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.200 7.155 -1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.941 2.842 -2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.393 3.762 -1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.159 3.373 -0.554 1.00 0.00 H new ATOM 582 N PRO A 37 8.233 7.130 -2.327 1.00 0.00 N ATOM 583 CA PRO A 37 9.504 6.613 -2.854 1.00 0.00 C ATOM 584 C PRO A 37 9.838 5.202 -2.363 1.00 0.00 C ATOM 585 O PRO A 37 10.286 4.363 -3.145 1.00 0.00 O ATOM 586 CB PRO A 37 10.546 7.612 -2.335 1.00 0.00 C ATOM 587 CG PRO A 37 9.775 8.846 -2.018 1.00 0.00 C ATOM 588 CD PRO A 37 8.425 8.376 -1.562 1.00 0.00 C ATOM 0 HA PRO A 37 9.469 6.526 -3.940 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.055 7.227 -1.451 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.313 7.808 -3.085 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.270 9.428 -1.241 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.690 9.490 -2.893 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.401 8.197 -0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.647 9.108 -1.781 1.00 0.00 H new ATOM 596 N PRO A 38 9.645 4.913 -1.059 1.00 0.00 N ATOM 597 CA PRO A 38 9.954 3.592 -0.500 1.00 0.00 C ATOM 598 C PRO A 38 8.965 2.516 -0.945 1.00 0.00 C ATOM 599 O PRO A 38 7.799 2.528 -0.552 1.00 0.00 O ATOM 600 CB PRO A 38 9.868 3.811 1.011 1.00 0.00 C ATOM 601 CG PRO A 38 8.947 4.967 1.181 1.00 0.00 C ATOM 602 CD PRO A 38 9.128 5.840 -0.032 1.00 0.00 C ATOM 0 HA PRO A 38 10.926 3.231 -0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.486 2.924 1.517 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.849 4.023 1.436 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.914 4.630 1.266 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.179 5.517 2.093 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.187 6.295 -0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.827 6.653 0.161 1.00 0.00 H new ATOM 610 N ASP A 39 9.445 1.584 -1.768 1.00 0.00 N ATOM 611 CA ASP A 39 8.611 0.492 -2.268 1.00 0.00 C ATOM 612 C ASP A 39 8.226 -0.494 -1.159 1.00 0.00 C ATOM 613 O ASP A 39 7.342 -1.329 -1.353 1.00 0.00 O ATOM 614 CB ASP A 39 9.328 -0.257 -3.395 1.00 0.00 C ATOM 615 CG ASP A 39 10.611 -0.914 -2.927 1.00 0.00 C ATOM 616 OD1 ASP A 39 11.619 -0.196 -2.760 1.00 0.00 O ATOM 617 OD2 ASP A 39 10.609 -2.148 -2.729 1.00 0.00 O ATOM 0 H ASP A 39 10.408 1.564 -2.103 1.00 0.00 H new ATOM 0 HA ASP A 39 7.695 0.941 -2.651 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.662 -1.017 -3.804 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.553 0.438 -4.204 1.00 0.00 H new ATOM 622 N GLN A 40 8.891 -0.415 -0.001 1.00 0.00 N ATOM 623 CA GLN A 40 8.598 -1.324 1.106 1.00 0.00 C ATOM 624 C GLN A 40 7.532 -0.764 2.058 1.00 0.00 C ATOM 625 O GLN A 40 7.450 -1.187 3.211 1.00 0.00 O ATOM 626 CB GLN A 40 9.876 -1.633 1.890 1.00 0.00 C ATOM 627 CG GLN A 40 9.750 -2.837 2.809 1.00 0.00 C ATOM 628 CD GLN A 40 10.431 -2.622 4.150 1.00 0.00 C ATOM 629 OE1 GLN A 40 9.768 -2.377 5.159 1.00 0.00 O ATOM 630 NE2 GLN A 40 11.759 -2.711 4.171 1.00 0.00 N ATOM 0 H GLN A 40 9.628 0.263 0.191 1.00 0.00 H new ATOM 0 HA GLN A 40 8.200 -2.240 0.668 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.691 -1.807 1.187 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.148 -0.760 2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 40 8.695 -3.056 2.972 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.185 -3.709 2.321 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.270 -2.916 3.312 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.266 -2.574 5.046 1.00 0.00 H new ATOM 639 N GLN A 41 6.709 0.174 1.583 1.00 0.00 N ATOM 640 CA GLN A 41 5.658 0.750 2.416 1.00 0.00 C ATOM 641 C GLN A 41 4.350 -0.012 2.220 1.00 0.00 C ATOM 642 O GLN A 41 3.619 0.232 1.261 1.00 0.00 O ATOM 643 CB GLN A 41 5.458 2.230 2.083 1.00 0.00 C ATOM 644 CG GLN A 41 4.615 2.974 3.106 1.00 0.00 C ATOM 645 CD GLN A 41 4.610 4.475 2.877 1.00 0.00 C ATOM 646 OE1 GLN A 41 5.656 5.079 2.640 1.00 0.00 O ATOM 647 NE2 GLN A 41 3.431 5.091 2.949 1.00 0.00 N ATOM 0 H GLN A 41 6.751 0.546 0.634 1.00 0.00 H new ATOM 0 HA GLN A 41 5.962 0.666 3.459 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.433 2.712 2.008 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.985 2.313 1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.592 2.601 3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.994 2.764 4.106 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.587 4.554 3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.373 6.099 2.805 1.00 0.00 H new ATOM 656 N ARG A 42 4.061 -0.945 3.128 1.00 0.00 N ATOM 657 CA ARG A 42 2.843 -1.744 3.035 1.00 0.00 C ATOM 658 C ARG A 42 2.185 -1.902 4.404 1.00 0.00 C ATOM 659 O ARG A 42 2.642 -1.327 5.391 1.00 0.00 O ATOM 660 CB ARG A 42 3.157 -3.123 2.446 1.00 0.00 C ATOM 661 CG ARG A 42 4.105 -3.084 1.258 1.00 0.00 C ATOM 662 CD ARG A 42 4.832 -4.409 1.083 1.00 0.00 C ATOM 663 NE ARG A 42 5.995 -4.523 1.963 1.00 0.00 N ATOM 664 CZ ARG A 42 6.536 -5.684 2.331 1.00 0.00 C ATOM 665 NH1 ARG A 42 6.029 -6.830 1.893 1.00 0.00 N ATOM 666 NH2 ARG A 42 7.591 -5.700 3.135 1.00 0.00 N ATOM 0 H ARG A 42 4.651 -1.164 3.931 1.00 0.00 H new ATOM 0 HA ARG A 42 2.148 -1.223 2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.592 -3.749 3.225 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.225 -3.597 2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.545 -2.852 0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.832 -2.284 1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.143 -5.229 1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.152 -4.511 0.046 1.00 0.00 H new ATOM 0 HE ARG A 42 6.416 -3.664 2.316 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.221 -6.825 1.271 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.448 -7.715 2.178 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.989 -4.823 3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.004 -6.589 3.416 1.00 0.00 H new ATOM 680 N LEU A 43 1.108 -2.687 4.458 1.00 0.00 N ATOM 681 CA LEU A 43 0.395 -2.916 5.708 1.00 0.00 C ATOM 682 C LEU A 43 0.759 -4.274 6.303 1.00 0.00 C ATOM 683 O LEU A 43 0.926 -5.255 5.577 1.00 0.00 O ATOM 684 CB LEU A 43 -1.116 -2.837 5.479 1.00 0.00 C ATOM 685 CG LEU A 43 -1.687 -3.921 4.560 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.589 -4.866 5.339 1.00 0.00 C ATOM 687 CD2 LEU A 43 -2.446 -3.294 3.399 1.00 0.00 C ATOM 0 H LEU A 43 0.714 -3.172 3.652 1.00 0.00 H new ATOM 0 HA LEU A 43 0.691 -2.139 6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.619 -2.898 6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.354 -1.861 5.057 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.855 -4.498 4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.984 -5.628 4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.016 -5.344 6.133 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.415 -4.304 5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.844 -4.080 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.267 -2.690 3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.771 -2.662 2.822 1.00 0.00 H new ATOM 699 N ILE A 44 0.884 -4.328 7.629 1.00 0.00 N ATOM 700 CA ILE A 44 1.228 -5.571 8.311 1.00 0.00 C ATOM 701 C ILE A 44 0.051 -6.096 9.132 1.00 0.00 C ATOM 702 O ILE A 44 -0.363 -5.470 10.109 1.00 0.00 O ATOM 703 CB ILE A 44 2.453 -5.389 9.235 1.00 0.00 C ATOM 704 CG1 ILE A 44 2.890 -6.739 9.808 1.00 0.00 C ATOM 705 CG2 ILE A 44 2.148 -4.403 10.355 1.00 0.00 C ATOM 706 CD1 ILE A 44 4.263 -6.709 10.444 1.00 0.00 C ATOM 0 H ILE A 44 0.752 -3.528 8.248 1.00 0.00 H new ATOM 0 HA ILE A 44 1.475 -6.297 7.537 1.00 0.00 H new ATOM 0 HB ILE A 44 3.272 -4.981 8.643 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.161 -7.062 10.551 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.884 -7.482 9.011 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.026 -4.292 10.991 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.886 -3.436 9.927 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.313 -4.775 10.950 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.508 -7.699 10.829 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.003 -6.416 9.699 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.269 -5.990 11.263 1.00 0.00 H new ATOM 718 N PHE A 45 -0.489 -7.246 8.733 1.00 0.00 N ATOM 719 CA PHE A 45 -1.619 -7.841 9.442 1.00 0.00 C ATOM 720 C PHE A 45 -1.637 -9.360 9.282 1.00 0.00 C ATOM 721 O PHE A 45 -1.526 -9.878 8.171 1.00 0.00 O ATOM 722 CB PHE A 45 -2.934 -7.247 8.936 1.00 0.00 C ATOM 723 CG PHE A 45 -4.025 -7.244 9.969 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.172 -6.174 10.837 1.00 0.00 C ATOM 725 CD2 PHE A 45 -4.901 -8.312 10.075 1.00 0.00 C ATOM 726 CE1 PHE A 45 -5.173 -6.169 11.789 1.00 0.00 C ATOM 727 CE2 PHE A 45 -5.904 -8.313 11.024 1.00 0.00 C ATOM 728 CZ PHE A 45 -6.040 -7.240 11.884 1.00 0.00 C ATOM 0 H PHE A 45 -0.165 -7.781 7.928 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.506 -7.612 10.502 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.757 -6.225 8.602 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.269 -7.813 8.067 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.496 -5.334 10.768 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.798 -9.154 9.407 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.278 -5.328 12.459 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.581 -9.151 11.094 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.822 -7.239 12.629 1.00 0.00 H new ATOM 738 N ALA A 46 -1.782 -10.071 10.401 1.00 0.00 N ATOM 739 CA ALA A 46 -1.820 -11.530 10.381 1.00 0.00 C ATOM 740 C ALA A 46 -0.578 -12.121 9.711 1.00 0.00 C ATOM 741 O ALA A 46 -0.639 -13.208 9.137 1.00 0.00 O ATOM 742 CB ALA A 46 -3.078 -12.011 9.676 1.00 0.00 C ATOM 0 H ALA A 46 -1.875 -9.659 11.330 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.832 -11.876 11.415 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.096 -13.101 9.667 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.956 -11.638 10.204 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.085 -11.639 8.651 1.00 0.00 H new ATOM 748 N GLY A 47 0.549 -11.408 9.787 1.00 0.00 N ATOM 749 CA GLY A 47 1.781 -11.893 9.183 1.00 0.00 C ATOM 750 C GLY A 47 1.576 -12.442 7.780 1.00 0.00 C ATOM 751 O GLY A 47 2.045 -13.535 7.462 1.00 0.00 O ATOM 0 H GLY A 47 0.629 -10.505 10.255 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.507 -11.080 9.147 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.207 -12.673 9.814 1.00 0.00 H new ATOM 755 N LYS A 48 0.872 -11.687 6.937 1.00 0.00 N ATOM 756 CA LYS A 48 0.611 -12.115 5.568 1.00 0.00 C ATOM 757 C LYS A 48 1.571 -11.438 4.592 1.00 0.00 C ATOM 758 O LYS A 48 1.885 -10.256 4.738 1.00 0.00 O ATOM 759 CB LYS A 48 -0.837 -11.806 5.181 1.00 0.00 C ATOM 760 CG LYS A 48 -1.703 -13.046 5.023 1.00 0.00 C ATOM 761 CD LYS A 48 -1.820 -13.815 6.329 1.00 0.00 C ATOM 762 CE LYS A 48 -2.702 -15.043 6.175 1.00 0.00 C ATOM 763 NZ LYS A 48 -2.527 -15.998 7.303 1.00 0.00 N ATOM 0 H LYS A 48 0.475 -10.779 7.179 1.00 0.00 H new ATOM 0 HA LYS A 48 0.770 -13.192 5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.277 -11.160 5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.843 -11.247 4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.696 -12.756 4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.277 -13.693 4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.828 -14.118 6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.232 -13.164 7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.746 -14.735 6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.466 -15.544 5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.146 -16.821 7.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.536 -16.312 7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.776 -15.529 8.197 1.00 0.00 H new ATOM 777 N GLN A 49 2.034 -12.190 3.594 1.00 0.00 N ATOM 778 CA GLN A 49 2.956 -11.653 2.598 1.00 0.00 C ATOM 779 C GLN A 49 2.194 -11.039 1.426 1.00 0.00 C ATOM 780 O GLN A 49 1.737 -11.751 0.532 1.00 0.00 O ATOM 781 CB GLN A 49 3.896 -12.750 2.092 1.00 0.00 C ATOM 782 CG GLN A 49 5.118 -12.958 2.973 1.00 0.00 C ATOM 783 CD GLN A 49 5.031 -14.227 3.802 1.00 0.00 C ATOM 784 OE1 GLN A 49 4.767 -14.176 5.004 1.00 0.00 O ATOM 785 NE2 GLN A 49 5.253 -15.376 3.167 1.00 0.00 N ATOM 0 H GLN A 49 1.786 -13.170 3.455 1.00 0.00 H new ATOM 0 HA GLN A 49 3.548 -10.871 3.074 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.344 -13.687 2.024 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.224 -12.499 1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.010 -12.998 2.347 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.232 -12.102 3.637 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.469 -15.374 2.170 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.207 -16.258 3.677 1.00 0.00 H new ATOM 794 N LEU A 50 2.061 -9.713 1.435 1.00 0.00 N ATOM 795 CA LEU A 50 1.354 -9.010 0.365 1.00 0.00 C ATOM 796 C LEU A 50 2.229 -8.842 -0.882 1.00 0.00 C ATOM 797 O LEU A 50 1.744 -8.403 -1.926 1.00 0.00 O ATOM 798 CB LEU A 50 0.873 -7.639 0.852 1.00 0.00 C ATOM 799 CG LEU A 50 1.981 -6.603 1.072 1.00 0.00 C ATOM 800 CD1 LEU A 50 1.615 -5.281 0.413 1.00 0.00 C ATOM 801 CD2 LEU A 50 2.240 -6.406 2.558 1.00 0.00 C ATOM 0 H LEU A 50 2.431 -9.107 2.167 1.00 0.00 H new ATOM 0 HA LEU A 50 0.493 -9.619 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.164 -7.241 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.331 -7.773 1.788 1.00 0.00 H new ATOM 0 HG LEU A 50 2.896 -6.975 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.413 -4.558 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.481 -5.433 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.688 -4.904 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.030 -5.667 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.328 -6.057 3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.548 -7.353 3.002 1.00 0.00 H new ATOM 813 N GLU A 51 3.516 -9.186 -0.781 1.00 0.00 N ATOM 814 CA GLU A 51 4.428 -9.059 -1.916 1.00 0.00 C ATOM 815 C GLU A 51 4.247 -10.212 -2.906 1.00 0.00 C ATOM 816 O GLU A 51 4.461 -10.042 -4.106 1.00 0.00 O ATOM 817 CB GLU A 51 5.881 -9.010 -1.436 1.00 0.00 C ATOM 818 CG GLU A 51 6.314 -7.637 -0.948 1.00 0.00 C ATOM 819 CD GLU A 51 7.101 -6.869 -1.991 1.00 0.00 C ATOM 820 OE1 GLU A 51 8.213 -7.316 -2.345 1.00 0.00 O ATOM 821 OE2 GLU A 51 6.606 -5.820 -2.455 1.00 0.00 O ATOM 0 H GLU A 51 3.945 -9.552 0.069 1.00 0.00 H new ATOM 0 HA GLU A 51 4.189 -8.126 -2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.013 -9.731 -0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.535 -9.320 -2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.433 -7.061 -0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.921 -7.750 -0.050 1.00 0.00 H new ATOM 828 N ASP A 52 3.856 -11.386 -2.403 1.00 0.00 N ATOM 829 CA ASP A 52 3.653 -12.560 -3.258 1.00 0.00 C ATOM 830 C ASP A 52 2.864 -12.200 -4.518 1.00 0.00 C ATOM 831 O ASP A 52 3.160 -12.696 -5.605 1.00 0.00 O ATOM 832 CB ASP A 52 2.922 -13.665 -2.490 1.00 0.00 C ATOM 833 CG ASP A 52 3.867 -14.527 -1.677 1.00 0.00 C ATOM 834 OD1 ASP A 52 4.401 -14.031 -0.663 1.00 0.00 O ATOM 835 OD2 ASP A 52 4.074 -15.699 -2.055 1.00 0.00 O ATOM 0 H ASP A 52 3.674 -11.549 -1.413 1.00 0.00 H new ATOM 0 HA ASP A 52 4.636 -12.922 -3.558 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.184 -13.215 -1.826 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.377 -14.293 -3.194 1.00 0.00 H new ATOM 840 N GLY A 53 1.862 -11.332 -4.369 1.00 0.00 N ATOM 841 CA GLY A 53 1.059 -10.929 -5.509 1.00 0.00 C ATOM 842 C GLY A 53 -0.316 -11.572 -5.515 1.00 0.00 C ATOM 843 O GLY A 53 -0.745 -12.121 -6.530 1.00 0.00 O ATOM 0 H GLY A 53 1.595 -10.904 -3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.948 -9.845 -5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.583 -11.192 -6.428 1.00 0.00 H new ATOM 847 N ARG A 54 -1.015 -11.503 -4.382 1.00 0.00 N ATOM 848 CA ARG A 54 -2.348 -12.081 -4.272 1.00 0.00 C ATOM 849 C ARG A 54 -3.411 -10.984 -4.236 1.00 0.00 C ATOM 850 O ARG A 54 -3.090 -9.798 -4.311 1.00 0.00 O ATOM 851 CB ARG A 54 -2.448 -12.951 -3.016 1.00 0.00 C ATOM 852 CG ARG A 54 -2.995 -14.345 -3.282 1.00 0.00 C ATOM 853 CD ARG A 54 -1.993 -15.206 -4.036 1.00 0.00 C ATOM 854 NE ARG A 54 -2.518 -15.653 -5.325 1.00 0.00 N ATOM 855 CZ ARG A 54 -3.560 -16.474 -5.457 1.00 0.00 C ATOM 856 NH1 ARG A 54 -4.186 -16.938 -4.382 1.00 0.00 N ATOM 857 NH2 ARG A 54 -3.975 -16.832 -6.664 1.00 0.00 N ATOM 0 H ARG A 54 -0.678 -11.053 -3.531 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.524 -12.704 -5.149 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.460 -13.038 -2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.088 -12.452 -2.288 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.248 -14.824 -2.336 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.917 -14.271 -3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.075 -14.640 -4.195 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.732 -16.074 -3.430 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.061 -15.317 -6.173 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.870 -16.666 -3.451 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.983 -17.566 -4.487 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.497 -16.479 -7.493 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.772 -17.460 -6.764 1.00 0.00 H new ATOM 871 N THR A 55 -4.676 -11.383 -4.118 1.00 0.00 N ATOM 872 CA THR A 55 -5.773 -10.423 -4.069 1.00 0.00 C ATOM 873 C THR A 55 -6.212 -10.181 -2.628 1.00 0.00 C ATOM 874 O THR A 55 -6.263 -11.112 -1.823 1.00 0.00 O ATOM 875 CB THR A 55 -6.956 -10.923 -4.899 1.00 0.00 C ATOM 876 OG1 THR A 55 -6.521 -11.384 -6.166 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.012 -9.863 -5.133 1.00 0.00 C ATOM 0 H THR A 55 -4.964 -12.359 -4.055 1.00 0.00 H new ATOM 0 HA THR A 55 -5.420 -9.481 -4.489 1.00 0.00 H new ATOM 0 HB THR A 55 -7.398 -11.731 -4.316 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.292 -11.701 -6.681 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.823 -10.283 -5.728 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.404 -9.522 -4.175 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.570 -9.020 -5.665 1.00 0.00 H new ATOM 885 N LEU A 56 -6.528 -8.929 -2.303 1.00 0.00 N ATOM 886 CA LEU A 56 -6.964 -8.580 -0.952 1.00 0.00 C ATOM 887 C LEU A 56 -8.107 -9.488 -0.498 1.00 0.00 C ATOM 888 O LEU A 56 -8.080 -10.032 0.606 1.00 0.00 O ATOM 889 CB LEU A 56 -7.405 -7.114 -0.890 1.00 0.00 C ATOM 890 CG LEU A 56 -6.323 -6.132 -0.437 1.00 0.00 C ATOM 891 CD1 LEU A 56 -5.452 -5.718 -1.612 1.00 0.00 C ATOM 892 CD2 LEU A 56 -6.954 -4.911 0.218 1.00 0.00 C ATOM 0 H LEU A 56 -6.491 -8.143 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.118 -8.722 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.757 -6.814 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.254 -7.034 -0.211 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.691 -6.630 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.688 -5.019 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.973 -6.599 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.069 -5.238 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.171 -4.222 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.609 -4.412 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.535 -5.223 1.086 1.00 0.00 H new ATOM 904 N SER A 57 -9.111 -9.648 -1.357 1.00 0.00 N ATOM 905 CA SER A 57 -10.260 -10.493 -1.038 1.00 0.00 C ATOM 906 C SER A 57 -9.819 -11.911 -0.664 1.00 0.00 C ATOM 907 O SER A 57 -10.410 -12.537 0.217 1.00 0.00 O ATOM 908 CB SER A 57 -11.234 -10.541 -2.220 1.00 0.00 C ATOM 909 OG SER A 57 -12.031 -11.713 -2.185 1.00 0.00 O ATOM 0 H SER A 57 -9.153 -9.206 -2.275 1.00 0.00 H new ATOM 0 HA SER A 57 -10.766 -10.055 -0.178 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.877 -9.661 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.676 -10.506 -3.155 1.00 0.00 H new ATOM 0 HG SER A 57 -12.643 -11.715 -2.950 1.00 0.00 H new ATOM 915 N ASP A 58 -8.784 -12.418 -1.336 1.00 0.00 N ATOM 916 CA ASP A 58 -8.282 -13.765 -1.062 1.00 0.00 C ATOM 917 C ASP A 58 -7.947 -13.948 0.419 1.00 0.00 C ATOM 918 O ASP A 58 -8.146 -15.030 0.974 1.00 0.00 O ATOM 919 CB ASP A 58 -7.043 -14.065 -1.914 1.00 0.00 C ATOM 920 CG ASP A 58 -7.345 -14.047 -3.399 1.00 0.00 C ATOM 921 OD1 ASP A 58 -8.527 -14.213 -3.767 1.00 0.00 O ATOM 922 OD2 ASP A 58 -6.399 -13.866 -4.194 1.00 0.00 O ATOM 0 H ASP A 58 -8.280 -11.920 -2.069 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.075 -14.466 -1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.268 -13.331 -1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.644 -15.041 -1.639 1.00 0.00 H new ATOM 927 N TYR A 59 -7.439 -12.894 1.061 1.00 0.00 N ATOM 928 CA TYR A 59 -7.085 -12.967 2.477 1.00 0.00 C ATOM 929 C TYR A 59 -8.166 -12.344 3.368 1.00 0.00 C ATOM 930 O TYR A 59 -7.894 -11.969 4.508 1.00 0.00 O ATOM 931 CB TYR A 59 -5.744 -12.270 2.722 1.00 0.00 C ATOM 932 CG TYR A 59 -4.554 -13.062 2.231 1.00 0.00 C ATOM 933 CD1 TYR A 59 -3.984 -14.057 3.017 1.00 0.00 C ATOM 934 CD2 TYR A 59 -3.999 -12.815 0.982 1.00 0.00 C ATOM 935 CE1 TYR A 59 -2.896 -14.782 2.571 1.00 0.00 C ATOM 936 CE2 TYR A 59 -2.912 -13.537 0.528 1.00 0.00 C ATOM 937 CZ TYR A 59 -2.364 -14.518 1.327 1.00 0.00 C ATOM 938 OH TYR A 59 -1.281 -15.239 0.879 1.00 0.00 O ATOM 0 H TYR A 59 -7.265 -11.988 0.626 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.002 -14.021 2.740 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.753 -11.299 2.228 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.630 -12.083 3.790 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.398 -14.267 3.992 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.424 -12.045 0.355 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.464 -15.552 3.194 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.494 -13.334 -0.447 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.030 -14.930 -0.016 1.00 0.00 H new ATOM 948 N ASN A 60 -9.395 -12.240 2.850 1.00 0.00 N ATOM 949 CA ASN A 60 -10.508 -11.670 3.609 1.00 0.00 C ATOM 950 C ASN A 60 -10.314 -10.177 3.920 1.00 0.00 C ATOM 951 O ASN A 60 -11.097 -9.602 4.676 1.00 0.00 O ATOM 952 CB ASN A 60 -10.703 -12.445 4.914 1.00 0.00 C ATOM 953 CG ASN A 60 -10.808 -13.943 4.690 1.00 0.00 C ATOM 954 OD1 ASN A 60 -10.066 -14.512 3.888 1.00 0.00 O ATOM 955 ND2 ASN A 60 -11.729 -14.593 5.396 1.00 0.00 N ATOM 0 H ASN A 60 -9.642 -12.544 1.908 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.396 -11.758 2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.868 -12.239 5.584 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.606 -12.091 5.412 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.841 -15.601 5.283 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.324 -14.084 6.050 1.00 0.00 H new ATOM 962 N ILE A 61 -9.293 -9.543 3.338 1.00 0.00 N ATOM 963 CA ILE A 61 -9.056 -8.122 3.575 1.00 0.00 C ATOM 964 C ILE A 61 -9.803 -7.271 2.546 1.00 0.00 C ATOM 965 O ILE A 61 -9.190 -6.559 1.750 1.00 0.00 O ATOM 966 CB ILE A 61 -7.550 -7.778 3.549 1.00 0.00 C ATOM 967 CG1 ILE A 61 -7.332 -6.294 3.854 1.00 0.00 C ATOM 968 CG2 ILE A 61 -6.933 -8.146 2.206 1.00 0.00 C ATOM 969 CD1 ILE A 61 -6.254 -6.043 4.886 1.00 0.00 C ATOM 0 H ILE A 61 -8.626 -9.987 2.707 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.435 -7.895 4.571 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.054 -8.365 4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.069 -5.776 2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.269 -5.862 4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.872 -7.895 2.212 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.051 -9.215 2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.433 -7.592 1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.153 -4.971 5.053 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.525 -6.532 5.822 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.306 -6.445 4.528 1.00 0.00 H new ATOM 981 N GLN A 62 -11.132 -7.355 2.560 1.00 0.00 N ATOM 982 CA GLN A 62 -11.956 -6.601 1.619 1.00 0.00 C ATOM 983 C GLN A 62 -12.421 -5.277 2.227 1.00 0.00 C ATOM 984 O GLN A 62 -11.993 -4.906 3.321 1.00 0.00 O ATOM 985 CB GLN A 62 -13.161 -7.443 1.186 1.00 0.00 C ATOM 986 CG GLN A 62 -14.208 -7.622 2.276 1.00 0.00 C ATOM 987 CD GLN A 62 -15.446 -8.350 1.783 1.00 0.00 C ATOM 988 OE1 GLN A 62 -16.554 -7.817 1.840 1.00 0.00 O ATOM 989 NE2 GLN A 62 -15.267 -9.577 1.296 1.00 0.00 N ATOM 0 H GLN A 62 -11.660 -7.936 3.211 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.349 -6.370 0.743 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -13.628 -6.974 0.320 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.811 -8.425 0.867 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.771 -8.177 3.106 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.496 -6.644 2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -14.332 -9.983 1.266 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -16.065 -10.111 0.953 1.00 0.00 H new ATOM 998 N LYS A 63 -13.293 -4.563 1.505 1.00 0.00 N ATOM 999 CA LYS A 63 -13.814 -3.272 1.964 1.00 0.00 C ATOM 1000 C LYS A 63 -14.113 -3.283 3.465 1.00 0.00 C ATOM 1001 O LYS A 63 -14.485 -4.313 4.024 1.00 0.00 O ATOM 1002 CB LYS A 63 -15.080 -2.902 1.187 1.00 0.00 C ATOM 1003 CG LYS A 63 -14.805 -2.106 -0.080 1.00 0.00 C ATOM 1004 CD LYS A 63 -14.574 -3.017 -1.277 1.00 0.00 C ATOM 1005 CE LYS A 63 -13.161 -2.876 -1.821 1.00 0.00 C ATOM 1006 NZ LYS A 63 -12.251 -3.927 -1.287 1.00 0.00 N ATOM 0 H LYS A 63 -13.653 -4.860 0.598 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.043 -2.525 1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -15.615 -3.815 0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.738 -2.323 1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.646 -1.444 -0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.930 -1.473 0.070 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.751 -4.053 -0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.292 -2.778 -2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.184 -2.935 -2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.770 -1.892 -1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.466 -4.077 -1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.873 -3.624 -0.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.778 -4.815 -1.169 1.00 0.00 H new ATOM 1020 N GLU A 64 -13.939 -2.126 4.107 1.00 0.00 N ATOM 1021 CA GLU A 64 -14.180 -1.986 5.542 1.00 0.00 C ATOM 1022 C GLU A 64 -13.193 -2.818 6.375 1.00 0.00 C ATOM 1023 O GLU A 64 -13.412 -3.030 7.567 1.00 0.00 O ATOM 1024 CB GLU A 64 -15.634 -2.367 5.875 1.00 0.00 C ATOM 1025 CG GLU A 64 -15.820 -3.780 6.420 1.00 0.00 C ATOM 1026 CD GLU A 64 -17.105 -4.425 5.936 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -17.260 -4.588 4.708 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -17.953 -4.767 6.786 1.00 0.00 O ATOM 0 H GLU A 64 -13.630 -1.268 3.651 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.018 -0.941 5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.022 -1.658 6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.238 -2.258 4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.973 -4.396 6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.821 -3.748 7.510 1.00 0.00 H new ATOM 1035 N SER A 65 -12.103 -3.281 5.754 1.00 0.00 N ATOM 1036 CA SER A 65 -11.104 -4.072 6.465 1.00 0.00 C ATOM 1037 C SER A 65 -10.233 -3.181 7.347 1.00 0.00 C ATOM 1038 O SER A 65 -10.339 -1.955 7.303 1.00 0.00 O ATOM 1039 CB SER A 65 -10.225 -4.845 5.476 1.00 0.00 C ATOM 1040 OG SER A 65 -10.759 -6.131 5.216 1.00 0.00 O ATOM 0 H SER A 65 -11.895 -3.121 4.768 1.00 0.00 H new ATOM 0 HA SER A 65 -11.630 -4.784 7.101 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.144 -4.286 4.544 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.217 -4.941 5.879 1.00 0.00 H new ATOM 0 HG SER A 65 -11.526 -6.051 4.612 1.00 0.00 H new ATOM 1046 N THR A 66 -9.360 -3.801 8.139 1.00 0.00 N ATOM 1047 CA THR A 66 -8.465 -3.057 9.018 1.00 0.00 C ATOM 1048 C THR A 66 -7.036 -3.104 8.480 1.00 0.00 C ATOM 1049 O THR A 66 -6.274 -4.017 8.802 1.00 0.00 O ATOM 1050 CB THR A 66 -8.513 -3.625 10.438 1.00 0.00 C ATOM 1051 OG1 THR A 66 -7.598 -2.945 11.281 1.00 0.00 O ATOM 1052 CG2 THR A 66 -8.190 -5.101 10.509 1.00 0.00 C ATOM 0 H THR A 66 -9.255 -4.814 8.189 1.00 0.00 H new ATOM 0 HA THR A 66 -8.796 -2.019 9.049 1.00 0.00 H new ATOM 0 HB THR A 66 -9.541 -3.481 10.769 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.644 -3.321 12.185 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.243 -5.436 11.545 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.909 -5.660 9.910 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.185 -5.273 10.123 1.00 0.00 H new ATOM 1060 N LEU A 67 -6.679 -2.125 7.651 1.00 0.00 N ATOM 1061 CA LEU A 67 -5.343 -2.074 7.064 1.00 0.00 C ATOM 1062 C LEU A 67 -4.436 -1.109 7.826 1.00 0.00 C ATOM 1063 O LEU A 67 -4.658 0.101 7.819 1.00 0.00 O ATOM 1064 CB LEU A 67 -5.426 -1.656 5.594 1.00 0.00 C ATOM 1065 CG LEU A 67 -6.290 -2.563 4.712 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -7.294 -1.742 3.918 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -5.416 -3.387 3.777 1.00 0.00 C ATOM 0 H LEU A 67 -7.293 -1.360 7.372 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.912 -3.073 7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.820 -0.641 5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.417 -1.628 5.182 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.842 -3.245 5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.897 -2.405 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.942 -1.197 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.763 -1.034 3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.046 -4.025 3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.837 -2.720 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.738 -4.006 4.364 1.00 0.00 H new ATOM 1079 N HIS A 68 -3.404 -1.651 8.472 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.458 -0.836 9.224 1.00 0.00 C ATOM 1081 C HIS A 68 -1.124 -0.751 8.485 1.00 0.00 C ATOM 1082 O HIS A 68 -0.491 -1.773 8.220 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.248 -1.419 10.624 1.00 0.00 C ATOM 1084 CG HIS A 68 -2.365 -0.404 11.718 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -3.525 0.296 11.976 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -1.458 0.029 12.627 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -3.326 1.116 12.993 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -2.081 0.971 13.407 1.00 0.00 N ATOM 0 H HIS A 68 -3.204 -2.651 8.488 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.869 0.169 9.321 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.979 -2.209 10.793 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.262 -1.881 10.672 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.435 -0.305 12.720 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.057 1.790 13.414 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.651 1.477 14.181 1.00 0.00 H new ATOM 1097 N LEU A 69 -0.701 0.466 8.149 1.00 0.00 N ATOM 1098 CA LEU A 69 0.556 0.662 7.434 1.00 0.00 C ATOM 1099 C LEU A 69 1.705 0.931 8.403 1.00 0.00 C ATOM 1100 O LEU A 69 1.487 1.385 9.526 1.00 0.00 O ATOM 1101 CB LEU A 69 0.429 1.815 6.434 1.00 0.00 C ATOM 1102 CG LEU A 69 0.793 1.463 4.990 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -0.266 0.558 4.380 1.00 0.00 C ATOM 1104 CD2 LEU A 69 0.962 2.725 4.159 1.00 0.00 C ATOM 0 H LEU A 69 -1.208 1.326 8.359 1.00 0.00 H new ATOM 0 HA LEU A 69 0.777 -0.256 6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.597 2.182 6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.068 2.634 6.764 1.00 0.00 H new ATOM 0 HG LEU A 69 1.742 0.927 4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.009 0.317 3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.338 -0.361 4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.229 1.068 4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.221 2.455 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.029 3.289 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.757 3.337 4.585 1.00 0.00 H new ATOM 1116 N VAL A 70 2.932 0.650 7.961 1.00 0.00 N ATOM 1117 CA VAL A 70 4.111 0.862 8.794 1.00 0.00 C ATOM 1118 C VAL A 70 4.868 2.113 8.352 1.00 0.00 C ATOM 1119 O VAL A 70 4.618 2.647 7.270 1.00 0.00 O ATOM 1120 CB VAL A 70 5.070 -0.348 8.746 1.00 0.00 C ATOM 1121 CG1 VAL A 70 5.814 -0.494 10.065 1.00 0.00 C ATOM 1122 CG2 VAL A 70 4.317 -1.629 8.414 1.00 0.00 C ATOM 0 H VAL A 70 3.132 0.276 7.033 1.00 0.00 H new ATOM 0 HA VAL A 70 3.757 0.988 9.817 1.00 0.00 H new ATOM 0 HB VAL A 70 5.798 -0.169 7.955 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.485 -1.352 10.012 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.394 0.409 10.257 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.097 -0.644 10.872 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.016 -2.465 8.387 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.560 -1.814 9.176 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.836 -1.526 7.441 1.00 0.00 H new ATOM 1132 N LEU A 71 5.792 2.581 9.190 1.00 0.00 N ATOM 1133 CA LEU A 71 6.575 3.772 8.868 1.00 0.00 C ATOM 1134 C LEU A 71 7.665 3.444 7.850 1.00 0.00 C ATOM 1135 O LEU A 71 8.273 2.374 7.903 1.00 0.00 O ATOM 1136 CB LEU A 71 7.204 4.363 10.132 1.00 0.00 C ATOM 1137 CG LEU A 71 6.277 5.256 10.960 1.00 0.00 C ATOM 1138 CD1 LEU A 71 5.514 4.431 11.983 1.00 0.00 C ATOM 1139 CD2 LEU A 71 7.073 6.356 11.647 1.00 0.00 C ATOM 0 H LEU A 71 6.015 2.157 10.090 1.00 0.00 H new ATOM 0 HA LEU A 71 5.900 4.509 8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.554 3.545 10.762 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.082 4.943 9.846 1.00 0.00 H new ATOM 0 HG LEU A 71 5.555 5.721 10.288 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.860 5.083 12.562 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.914 3.679 11.470 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.219 3.938 12.652 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.399 6.982 12.232 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.817 5.909 12.307 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.574 6.966 10.895 1.00 0.00 H new ATOM 1151 N ARG A 72 7.908 4.368 6.921 1.00 0.00 N ATOM 1152 CA ARG A 72 8.926 4.164 5.893 1.00 0.00 C ATOM 1153 C ARG A 72 10.315 4.527 6.416 1.00 0.00 C ATOM 1154 O ARG A 72 10.638 5.703 6.579 1.00 0.00 O ATOM 1155 CB ARG A 72 8.607 4.990 4.642 1.00 0.00 C ATOM 1156 CG ARG A 72 8.452 6.480 4.912 1.00 0.00 C ATOM 1157 CD ARG A 72 9.288 7.313 3.951 1.00 0.00 C ATOM 1158 NE ARG A 72 9.357 8.718 4.353 1.00 0.00 N ATOM 1159 CZ ARG A 72 9.621 9.718 3.513 1.00 0.00 C ATOM 1160 NH1 ARG A 72 9.851 9.474 2.228 1.00 0.00 N ATOM 1161 NH2 ARG A 72 9.660 10.968 3.958 1.00 0.00 N ATOM 0 H ARG A 72 7.417 5.260 6.860 1.00 0.00 H new ATOM 0 HA ARG A 72 8.921 3.107 5.628 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.401 4.844 3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.687 4.614 4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.403 6.760 4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.750 6.698 5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.296 6.902 3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.864 7.244 2.949 1.00 0.00 H new ATOM 0 HE ARG A 72 9.193 8.945 5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.826 8.516 1.878 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.052 10.244 1.591 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.488 11.164 4.944 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.862 11.733 3.314 1.00 0.00 H new ATOM 1175 N LEU A 73 11.135 3.509 6.676 1.00 0.00 N ATOM 1176 CA LEU A 73 12.488 3.731 7.178 1.00 0.00 C ATOM 1177 C LEU A 73 13.436 4.105 6.039 1.00 0.00 C ATOM 1178 O LEU A 73 14.263 5.006 6.183 1.00 0.00 O ATOM 1179 CB LEU A 73 13.007 2.482 7.897 1.00 0.00 C ATOM 1180 CG LEU A 73 12.358 2.200 9.253 1.00 0.00 C ATOM 1181 CD1 LEU A 73 12.281 0.703 9.508 1.00 0.00 C ATOM 1182 CD2 LEU A 73 13.130 2.893 10.367 1.00 0.00 C ATOM 0 H LEU A 73 10.887 2.528 6.548 1.00 0.00 H new ATOM 0 HA LEU A 73 12.451 4.558 7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 73 12.852 1.618 7.250 1.00 0.00 H new ATOM 0 HB3 LEU A 73 14.083 2.584 8.040 1.00 0.00 H new ATOM 0 HG LEU A 73 11.343 2.597 9.238 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.816 0.522 10.477 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.685 0.231 8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.286 0.281 9.503 1.00 0.00 H new ATOM 0 HD21 LEU A 73 12.655 2.682 11.325 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.156 2.525 10.382 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.133 3.969 10.193 1.00 0.00 H new ATOM 1194 N ARG A 74 13.313 3.411 4.908 1.00 0.00 N ATOM 1195 CA ARG A 74 14.165 3.682 3.752 1.00 0.00 C ATOM 1196 C ARG A 74 13.645 4.881 2.962 1.00 0.00 C ATOM 1197 O ARG A 74 12.452 4.974 2.675 1.00 0.00 O ATOM 1198 CB ARG A 74 14.243 2.452 2.843 1.00 0.00 C ATOM 1199 CG ARG A 74 15.169 2.637 1.650 1.00 0.00 C ATOM 1200 CD ARG A 74 14.603 1.987 0.397 1.00 0.00 C ATOM 1201 NE ARG A 74 15.494 0.959 -0.137 1.00 0.00 N ATOM 1202 CZ ARG A 74 15.579 -0.277 0.356 1.00 0.00 C ATOM 1203 NH1 ARG A 74 14.831 -0.639 1.390 1.00 0.00 N ATOM 1204 NH2 ARG A 74 16.414 -1.152 -0.188 1.00 0.00 N ATOM 0 H ARG A 74 12.636 2.661 4.768 1.00 0.00 H new ATOM 0 HA ARG A 74 15.165 3.915 4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 74 14.584 1.598 3.429 1.00 0.00 H new ATOM 0 HB3 ARG A 74 13.243 2.212 2.483 1.00 0.00 H new ATOM 0 HG2 ARG A 74 15.324 3.701 1.470 1.00 0.00 H new ATOM 0 HG3 ARG A 74 16.145 2.206 1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 74 13.634 1.544 0.625 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.434 2.750 -0.363 1.00 0.00 H new ATOM 0 HE ARG A 74 16.085 1.201 -0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.187 0.030 1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 74 14.900 -1.586 1.763 1.00 0.00 H new ATOM 0 HH21 ARG A 74 16.991 -0.879 -0.984 1.00 0.00 H new ATOM 0 HH22 ARG A 74 16.479 -2.097 0.189 1.00 0.00 H new ATOM 1218 N GLY A 75 14.546 5.797 2.611 1.00 0.00 N ATOM 1219 CA GLY A 75 14.151 6.973 1.859 1.00 0.00 C ATOM 1220 C GLY A 75 14.733 8.252 2.433 1.00 0.00 C ATOM 1221 O GLY A 75 14.259 8.751 3.454 1.00 0.00 O ATOM 0 H GLY A 75 15.540 5.744 2.834 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.473 6.864 0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.063 7.045 1.848 1.00 0.00 H new ATOM 1225 N GLY A 76 15.763 8.787 1.777 1.00 0.00 N ATOM 1226 CA GLY A 76 16.386 10.010 2.250 1.00 0.00 C ATOM 1227 C GLY A 76 16.415 11.093 1.191 1.00 0.00 C ATOM 1228 O GLY A 76 17.401 11.149 0.425 1.00 0.00 O ATOM 1229 OXT GLY A 76 15.452 11.885 1.124 1.00 0.00 O ATOM 0 H GLY A 76 16.174 8.395 0.930 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.846 10.375 3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.405 9.794 2.572 1.00 0.00 H new TER 1233 GLY A 76