USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 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 -54:sc= 1.28 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.53 K(o=2.8,f=-4.9!) USER MOD Set 2.1: A 7 THR OG1 : rot 117:sc= 0.587 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.682 USER MOD Single : A 1 MET CE :methyl -178:sc= -0.422 (180deg=-0.458) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -17:sc= 0.864 USER MOD Single : A 14 THR OG1 : rot -134:sc= 0.597 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0675 USER MOD Single : A 27 LYS NZ :NH3+ -115:sc= -4.57! (180deg=-8.43!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) 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=-0.012) USER MOD Single : A 41 GLN : amide:sc= -6.29! C(o=-6.3!,f=-12!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -4.89! C(o=-4.9!,f=-3.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0719 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 165:sc= -0.468! USER MOD Single : A 60 ASN : amide:sc= -2.91! C(o=-2.9!,f=-3.8!) USER MOD Single : A 62 GLN : amide:sc=-0.00725 X(o=-0.0072,f=-0.0072) USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= -0.502 (180deg=-2.02!) USER MOD Single : A 65 SER OG : rot 70:sc= 1.21 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.04 K(o=-1,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.561 -20.426 -2.105 1.00 0.00 N ATOM 2 CA MET A 1 3.520 -19.487 -3.256 1.00 0.00 C ATOM 3 C MET A 1 4.181 -18.157 -2.908 1.00 0.00 C ATOM 4 O MET A 1 3.643 -17.371 -2.128 1.00 0.00 O ATOM 5 CB MET A 1 2.060 -19.264 -3.651 1.00 0.00 C ATOM 6 CG MET A 1 1.840 -18.017 -4.493 1.00 0.00 C ATOM 7 SD MET A 1 0.234 -18.006 -5.312 1.00 0.00 S ATOM 8 CE MET A 1 -0.771 -17.186 -4.077 1.00 0.00 C ATOM 0 H1 MET A 1 3.104 -21.322 -2.371 1.00 0.00 H new ATOM 0 H2 MET A 1 4.550 -20.607 -1.840 1.00 0.00 H new ATOM 0 H3 MET A 1 3.057 -20.007 -1.297 1.00 0.00 H new ATOM 0 HA MET A 1 4.073 -19.919 -4.090 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.706 -20.133 -4.205 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.455 -19.193 -2.747 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.926 -17.135 -3.858 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.627 -17.947 -5.244 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.803 -17.136 -4.423 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.728 -17.746 -3.143 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.394 -16.177 -3.913 1.00 0.00 H new ATOM 20 N GLN A 2 5.352 -17.912 -3.489 1.00 0.00 N ATOM 21 CA GLN A 2 6.086 -16.678 -3.239 1.00 0.00 C ATOM 22 C GLN A 2 5.502 -15.521 -4.044 1.00 0.00 C ATOM 23 O GLN A 2 4.866 -15.730 -5.077 1.00 0.00 O ATOM 24 CB GLN A 2 7.564 -16.860 -3.589 1.00 0.00 C ATOM 25 CG GLN A 2 8.452 -17.097 -2.378 1.00 0.00 C ATOM 26 CD GLN A 2 9.929 -16.998 -2.710 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.369 -17.436 -3.772 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.701 -16.418 -1.799 1.00 0.00 N ATOM 0 H GLN A 2 5.812 -18.552 -4.136 1.00 0.00 H new ATOM 0 HA GLN A 2 5.995 -16.441 -2.179 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.665 -17.702 -4.274 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.915 -15.974 -4.119 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.208 -16.369 -1.605 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.241 -18.084 -1.965 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.293 -16.069 -0.932 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.703 -16.321 -1.966 1.00 0.00 H new ATOM 37 N LEU A 3 5.723 -14.302 -3.563 1.00 0.00 N ATOM 38 CA LEU A 3 5.218 -13.111 -4.237 1.00 0.00 C ATOM 39 C LEU A 3 6.254 -11.991 -4.212 1.00 0.00 C ATOM 40 O LEU A 3 6.976 -11.823 -3.229 1.00 0.00 O ATOM 41 CB LEU A 3 3.922 -12.637 -3.579 1.00 0.00 C ATOM 42 CG LEU A 3 2.852 -13.717 -3.403 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.779 -13.251 -2.431 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.237 -14.077 -4.746 1.00 0.00 C ATOM 0 H LEU A 3 6.248 -14.113 -2.709 1.00 0.00 H new ATOM 0 HA LEU A 3 5.015 -13.371 -5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.161 -12.221 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.504 -11.827 -4.177 1.00 0.00 H new ATOM 0 HG LEU A 3 3.324 -14.608 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.027 -14.032 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.232 -13.041 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.308 -12.346 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.478 -14.846 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.778 -13.191 -5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.013 -14.452 -5.413 1.00 0.00 H new ATOM 56 N PHE A 4 6.322 -11.229 -5.298 1.00 0.00 N ATOM 57 CA PHE A 4 7.269 -10.124 -5.400 1.00 0.00 C ATOM 58 C PHE A 4 6.542 -8.784 -5.400 1.00 0.00 C ATOM 59 O PHE A 4 5.804 -8.467 -6.334 1.00 0.00 O ATOM 60 CB PHE A 4 8.111 -10.263 -6.670 1.00 0.00 C ATOM 61 CG PHE A 4 9.200 -11.290 -6.560 1.00 0.00 C ATOM 62 CD1 PHE A 4 8.900 -12.609 -6.234 1.00 0.00 C ATOM 63 CD2 PHE A 4 10.528 -10.941 -6.782 1.00 0.00 C ATOM 64 CE1 PHE A 4 9.903 -13.560 -6.133 1.00 0.00 C ATOM 65 CE2 PHE A 4 11.536 -11.888 -6.683 1.00 0.00 C ATOM 66 CZ PHE A 4 11.222 -13.199 -6.358 1.00 0.00 C ATOM 0 H PHE A 4 5.732 -11.356 -6.121 1.00 0.00 H new ATOM 0 HA PHE A 4 7.927 -10.159 -4.532 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.458 -10.526 -7.502 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.557 -9.297 -6.908 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.874 -12.895 -6.058 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.777 -9.921 -7.034 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.657 -14.581 -5.879 1.00 0.00 H new ATOM 0 HE2 PHE A 4 12.563 -11.605 -6.859 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.005 -13.939 -6.280 1.00 0.00 H new ATOM 76 N VAL A 5 6.754 -8.001 -4.348 1.00 0.00 N ATOM 77 CA VAL A 5 6.118 -6.694 -4.227 1.00 0.00 C ATOM 78 C VAL A 5 7.105 -5.570 -4.519 1.00 0.00 C ATOM 79 O VAL A 5 8.124 -5.432 -3.841 1.00 0.00 O ATOM 80 CB VAL A 5 5.523 -6.485 -2.822 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.710 -5.202 -2.772 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.673 -7.681 -2.420 1.00 0.00 C ATOM 0 H VAL A 5 7.361 -8.248 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 5 5.314 -6.668 -4.962 1.00 0.00 H new ATOM 0 HB VAL A 5 6.343 -6.395 -2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.298 -5.071 -1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.352 -4.355 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.896 -5.258 -3.495 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.261 -7.516 -1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.859 -7.805 -3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.290 -8.580 -2.413 1.00 0.00 H new ATOM 92 N LYS A 6 6.796 -4.766 -5.531 1.00 0.00 N ATOM 93 CA LYS A 6 7.654 -3.651 -5.914 1.00 0.00 C ATOM 94 C LYS A 6 7.092 -2.332 -5.395 1.00 0.00 C ATOM 95 O LYS A 6 5.877 -2.143 -5.337 1.00 0.00 O ATOM 96 CB LYS A 6 7.805 -3.594 -7.435 1.00 0.00 C ATOM 97 CG LYS A 6 6.574 -3.059 -8.147 1.00 0.00 C ATOM 98 CD LYS A 6 6.681 -1.564 -8.398 1.00 0.00 C ATOM 99 CE LYS A 6 6.826 -1.256 -9.880 1.00 0.00 C ATOM 100 NZ LYS A 6 6.676 0.197 -10.163 1.00 0.00 N ATOM 0 H LYS A 6 5.956 -4.866 -6.101 1.00 0.00 H new ATOM 0 HA LYS A 6 8.635 -3.808 -5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.660 -2.966 -7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.025 -4.594 -7.808 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.446 -3.580 -9.096 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.687 -3.266 -7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.795 -1.064 -8.007 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.538 -1.164 -7.857 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.802 -1.594 -10.227 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.077 -1.814 -10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.782 0.365 -11.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.735 0.515 -9.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.407 0.728 -9.648 1.00 0.00 H new ATOM 114 N THR A 7 7.983 -1.420 -5.018 1.00 0.00 N ATOM 115 CA THR A 7 7.574 -0.119 -4.501 1.00 0.00 C ATOM 116 C THR A 7 7.904 0.992 -5.494 1.00 0.00 C ATOM 117 O THR A 7 8.643 0.779 -6.455 1.00 0.00 O ATOM 118 CB THR A 7 8.258 0.158 -3.163 1.00 0.00 C ATOM 119 OG1 THR A 7 9.648 0.363 -3.342 1.00 0.00 O ATOM 120 CG2 THR A 7 8.084 -0.961 -2.160 1.00 0.00 C ATOM 0 H THR A 7 8.993 -1.558 -5.061 1.00 0.00 H new ATOM 0 HA THR A 7 6.494 -0.139 -4.353 1.00 0.00 H new ATOM 0 HB THR A 7 7.775 1.053 -2.772 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.883 1.273 -3.064 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.594 -0.701 -1.232 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.023 -1.110 -1.961 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.510 -1.880 -2.563 1.00 0.00 H new ATOM 128 N LEU A 8 7.350 2.176 -5.254 1.00 0.00 N ATOM 129 CA LEU A 8 7.584 3.321 -6.125 1.00 0.00 C ATOM 130 C LEU A 8 9.071 3.649 -6.205 1.00 0.00 C ATOM 131 O LEU A 8 9.521 4.312 -7.138 1.00 0.00 O ATOM 132 CB LEU A 8 6.806 4.539 -5.622 1.00 0.00 C ATOM 133 CG LEU A 8 5.398 4.693 -6.203 1.00 0.00 C ATOM 134 CD1 LEU A 8 4.541 3.488 -5.847 1.00 0.00 C ATOM 135 CD2 LEU A 8 4.753 5.976 -5.702 1.00 0.00 C ATOM 0 H LEU A 8 6.735 2.367 -4.463 1.00 0.00 H new ATOM 0 HA LEU A 8 7.234 3.063 -7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.730 4.480 -4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.378 5.437 -5.853 1.00 0.00 H new ATOM 0 HG LEU A 8 5.476 4.750 -7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.543 3.614 -6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.996 2.585 -6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.469 3.400 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.753 6.070 -6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.686 5.949 -4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.357 6.830 -6.007 1.00 0.00 H new ATOM 147 N THR A 9 9.828 3.182 -5.218 1.00 0.00 N ATOM 148 CA THR A 9 11.265 3.425 -5.175 1.00 0.00 C ATOM 149 C THR A 9 12.038 2.254 -5.776 1.00 0.00 C ATOM 150 O THR A 9 13.267 2.282 -5.848 1.00 0.00 O ATOM 151 CB THR A 9 11.721 3.667 -3.736 1.00 0.00 C ATOM 152 OG1 THR A 9 11.132 2.724 -2.859 1.00 0.00 O ATOM 153 CG2 THR A 9 11.376 5.049 -3.223 1.00 0.00 C ATOM 0 H THR A 9 9.470 2.633 -4.437 1.00 0.00 H new ATOM 0 HA THR A 9 11.473 4.315 -5.769 1.00 0.00 H new ATOM 0 HB THR A 9 12.806 3.565 -3.755 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.437 2.894 -1.943 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.728 5.154 -2.197 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.856 5.800 -3.850 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.295 5.189 -3.253 1.00 0.00 H new ATOM 161 N GLY A 10 11.313 1.225 -6.205 1.00 0.00 N ATOM 162 CA GLY A 10 11.952 0.062 -6.791 1.00 0.00 C ATOM 163 C GLY A 10 12.122 -1.069 -5.798 1.00 0.00 C ATOM 164 O GLY A 10 12.029 -2.242 -6.160 1.00 0.00 O ATOM 0 H GLY A 10 10.295 1.177 -6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.359 -0.287 -7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.928 0.347 -7.183 1.00 0.00 H new ATOM 168 N LYS A 11 12.375 -0.718 -4.541 1.00 0.00 N ATOM 169 CA LYS A 11 12.560 -1.715 -3.493 1.00 0.00 C ATOM 170 C LYS A 11 11.537 -2.839 -3.623 1.00 0.00 C ATOM 171 O LYS A 11 10.383 -2.691 -3.219 1.00 0.00 O ATOM 172 CB LYS A 11 12.446 -1.064 -2.113 1.00 0.00 C ATOM 173 CG LYS A 11 12.154 -2.052 -0.995 1.00 0.00 C ATOM 174 CD LYS A 11 13.338 -2.971 -0.739 1.00 0.00 C ATOM 175 CE LYS A 11 13.041 -3.966 0.371 1.00 0.00 C ATOM 176 NZ LYS A 11 13.781 -5.244 0.183 1.00 0.00 N ATOM 0 H LYS A 11 12.456 0.248 -4.224 1.00 0.00 H new ATOM 0 HA LYS A 11 13.557 -2.141 -3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.376 -0.540 -1.890 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.656 -0.314 -2.139 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.910 -1.508 -0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.279 -2.648 -1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.587 -3.509 -1.654 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.211 -2.376 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.310 -3.529 1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.970 -4.167 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.551 -5.896 0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.505 -5.675 -0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.804 -5.056 0.180 1.00 0.00 H new ATOM 190 N THR A 12 11.968 -3.962 -4.189 1.00 0.00 N ATOM 191 CA THR A 12 11.090 -5.111 -4.373 1.00 0.00 C ATOM 192 C THR A 12 11.344 -6.166 -3.300 1.00 0.00 C ATOM 193 O THR A 12 12.455 -6.679 -3.173 1.00 0.00 O ATOM 194 CB THR A 12 11.292 -5.718 -5.761 1.00 0.00 C ATOM 195 OG1 THR A 12 11.591 -4.709 -6.710 1.00 0.00 O ATOM 196 CG2 THR A 12 10.084 -6.478 -6.265 1.00 0.00 C ATOM 0 H THR A 12 12.920 -4.100 -4.528 1.00 0.00 H new ATOM 0 HA THR A 12 10.059 -4.768 -4.283 1.00 0.00 H new ATOM 0 HB THR A 12 12.121 -6.418 -5.652 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.343 -3.834 -6.346 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.296 -6.882 -7.255 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.856 -7.295 -5.580 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.229 -5.805 -6.323 1.00 0.00 H new ATOM 204 N LEU A 13 10.307 -6.484 -2.532 1.00 0.00 N ATOM 205 CA LEU A 13 10.419 -7.478 -1.471 1.00 0.00 C ATOM 206 C LEU A 13 9.642 -8.741 -1.826 1.00 0.00 C ATOM 207 O LEU A 13 8.627 -8.683 -2.520 1.00 0.00 O ATOM 208 CB LEU A 13 9.904 -6.903 -0.150 1.00 0.00 C ATOM 209 CG LEU A 13 8.427 -6.505 -0.150 1.00 0.00 C ATOM 210 CD1 LEU A 13 7.581 -7.597 0.487 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.231 -5.183 0.576 1.00 0.00 C ATOM 0 H LEU A 13 9.380 -6.068 -2.625 1.00 0.00 H new ATOM 0 HA LEU A 13 11.471 -7.739 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.066 -7.639 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.501 -6.027 0.105 1.00 0.00 H new ATOM 0 HG LEU A 13 8.104 -6.379 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.533 -7.297 0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.698 -8.523 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.905 -7.755 1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.174 -4.916 0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.571 -5.280 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.807 -4.404 0.076 1.00 0.00 H new ATOM 223 N THR A 14 10.127 -9.882 -1.347 1.00 0.00 N ATOM 224 CA THR A 14 9.477 -11.160 -1.615 1.00 0.00 C ATOM 225 C THR A 14 9.037 -11.832 -0.318 1.00 0.00 C ATOM 226 O THR A 14 9.687 -11.692 0.717 1.00 0.00 O ATOM 227 CB THR A 14 10.421 -12.083 -2.386 1.00 0.00 C ATOM 228 OG1 THR A 14 10.993 -11.405 -3.492 1.00 0.00 O ATOM 229 CG2 THR A 14 9.745 -13.329 -2.911 1.00 0.00 C ATOM 0 H THR A 14 10.967 -9.948 -0.772 1.00 0.00 H new ATOM 0 HA THR A 14 8.591 -10.968 -2.221 1.00 0.00 H new ATOM 0 HB THR A 14 11.184 -12.380 -1.667 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.943 -11.976 -4.287 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.472 -13.939 -3.448 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.337 -13.900 -2.077 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.938 -13.048 -3.587 1.00 0.00 H new ATOM 237 N VAL A 15 7.927 -12.563 -0.384 1.00 0.00 N ATOM 238 CA VAL A 15 7.400 -13.258 0.784 1.00 0.00 C ATOM 239 C VAL A 15 6.683 -14.541 0.379 1.00 0.00 C ATOM 240 O VAL A 15 6.535 -14.833 -0.808 1.00 0.00 O ATOM 241 CB VAL A 15 6.427 -12.367 1.577 1.00 0.00 C ATOM 242 CG1 VAL A 15 7.169 -11.205 2.219 1.00 0.00 C ATOM 243 CG2 VAL A 15 5.308 -11.862 0.678 1.00 0.00 C ATOM 0 H VAL A 15 7.377 -12.688 -1.234 1.00 0.00 H new ATOM 0 HA VAL A 15 8.252 -13.504 1.418 1.00 0.00 H new ATOM 0 HB VAL A 15 5.981 -12.967 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.465 -10.586 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.929 -11.590 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.646 -10.605 1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.631 -11.234 1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.733 -11.279 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.757 -12.710 0.271 1.00 0.00 H new ATOM 253 N GLU A 16 6.240 -15.307 1.372 1.00 0.00 N ATOM 254 CA GLU A 16 5.541 -16.562 1.115 1.00 0.00 C ATOM 255 C GLU A 16 4.113 -16.513 1.650 1.00 0.00 C ATOM 256 O GLU A 16 3.892 -16.294 2.841 1.00 0.00 O ATOM 257 CB GLU A 16 6.292 -17.734 1.751 1.00 0.00 C ATOM 258 CG GLU A 16 7.622 -17.344 2.377 1.00 0.00 C ATOM 259 CD GLU A 16 8.215 -18.452 3.225 1.00 0.00 C ATOM 260 OE1 GLU A 16 7.539 -18.895 4.178 1.00 0.00 O ATOM 261 OE2 GLU A 16 9.353 -18.876 2.937 1.00 0.00 O ATOM 0 H GLU A 16 6.352 -15.081 2.360 1.00 0.00 H new ATOM 0 HA GLU A 16 5.502 -16.707 0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.660 -18.186 2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.468 -18.496 0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.326 -17.078 1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.483 -16.455 2.993 1.00 0.00 H new ATOM 268 N LEU A 17 3.149 -16.722 0.760 1.00 0.00 N ATOM 269 CA LEU A 17 1.741 -16.706 1.137 1.00 0.00 C ATOM 270 C LEU A 17 0.930 -17.632 0.239 1.00 0.00 C ATOM 271 O LEU A 17 1.365 -17.992 -0.854 1.00 0.00 O ATOM 272 CB LEU A 17 1.185 -15.284 1.057 1.00 0.00 C ATOM 273 CG LEU A 17 0.032 -14.985 2.017 1.00 0.00 C ATOM 274 CD1 LEU A 17 0.527 -14.969 3.455 1.00 0.00 C ATOM 275 CD2 LEU A 17 -0.626 -13.661 1.661 1.00 0.00 C ATOM 0 H LEU A 17 3.318 -16.905 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 17 1.661 -17.061 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.995 -14.582 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.846 -15.099 0.038 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.713 -15.775 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.306 -14.755 4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.952 -15.941 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.291 -14.199 3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.444 -13.463 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.109 -12.859 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.015 -13.710 0.644 1.00 0.00 H new ATOM 287 N GLU A 18 -0.255 -18.015 0.706 1.00 0.00 N ATOM 288 CA GLU A 18 -1.126 -18.898 -0.059 1.00 0.00 C ATOM 289 C GLU A 18 -2.205 -18.101 -0.782 1.00 0.00 C ATOM 290 O GLU A 18 -2.551 -16.992 -0.377 1.00 0.00 O ATOM 291 CB GLU A 18 -1.770 -19.935 0.863 1.00 0.00 C ATOM 292 CG GLU A 18 -0.838 -20.453 1.938 1.00 0.00 C ATOM 293 CD GLU A 18 -1.392 -20.257 3.336 1.00 0.00 C ATOM 294 OE1 GLU A 18 -2.525 -19.748 3.459 1.00 0.00 O ATOM 295 OE2 GLU A 18 -0.692 -20.613 4.308 1.00 0.00 O ATOM 0 H GLU A 18 -0.632 -17.728 1.609 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.520 -19.413 -0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.647 -19.493 1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.121 -20.774 0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.651 -21.514 1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.122 -19.944 1.857 1.00 0.00 H new ATOM 302 N PRO A 19 -2.753 -18.663 -1.870 1.00 0.00 N ATOM 303 CA PRO A 19 -3.801 -18.009 -2.660 1.00 0.00 C ATOM 304 C PRO A 19 -5.087 -17.813 -1.865 1.00 0.00 C ATOM 305 O PRO A 19 -5.917 -16.971 -2.205 1.00 0.00 O ATOM 306 CB PRO A 19 -4.033 -18.975 -3.826 1.00 0.00 C ATOM 307 CG PRO A 19 -3.536 -20.292 -3.337 1.00 0.00 C ATOM 308 CD PRO A 19 -2.394 -19.984 -2.413 1.00 0.00 C ATOM 0 HA PRO A 19 -3.505 -17.008 -2.976 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.089 -19.025 -4.093 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.493 -18.655 -4.717 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.323 -20.838 -2.817 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.209 -20.919 -4.167 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.299 -20.732 -1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.442 -19.957 -2.943 1.00 0.00 H new ATOM 316 N SER A 20 -5.245 -18.597 -0.803 1.00 0.00 N ATOM 317 CA SER A 20 -6.430 -18.507 0.042 1.00 0.00 C ATOM 318 C SER A 20 -6.386 -17.251 0.905 1.00 0.00 C ATOM 319 O SER A 20 -7.401 -16.833 1.463 1.00 0.00 O ATOM 320 CB SER A 20 -6.545 -19.747 0.931 1.00 0.00 C ATOM 321 OG SER A 20 -5.271 -20.158 1.398 1.00 0.00 O ATOM 0 H SER A 20 -4.568 -19.301 -0.508 1.00 0.00 H new ATOM 0 HA SER A 20 -7.305 -18.452 -0.606 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.195 -19.532 1.779 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.010 -20.558 0.371 1.00 0.00 H new ATOM 0 HG SER A 20 -5.371 -20.951 1.965 1.00 0.00 H new ATOM 327 N ASP A 21 -5.203 -16.653 1.008 1.00 0.00 N ATOM 328 CA ASP A 21 -5.025 -15.443 1.803 1.00 0.00 C ATOM 329 C ASP A 21 -5.796 -14.276 1.195 1.00 0.00 C ATOM 330 O ASP A 21 -6.155 -14.303 0.018 1.00 0.00 O ATOM 331 CB ASP A 21 -3.540 -15.091 1.906 1.00 0.00 C ATOM 332 CG ASP A 21 -2.835 -15.877 2.994 1.00 0.00 C ATOM 333 OD1 ASP A 21 -2.321 -16.975 2.695 1.00 0.00 O ATOM 334 OD2 ASP A 21 -2.796 -15.393 4.145 1.00 0.00 O ATOM 0 H ASP A 21 -4.354 -16.986 0.551 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.417 -15.632 2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.056 -15.285 0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.435 -14.025 2.105 1.00 0.00 H new ATOM 339 N THR A 22 -6.046 -13.254 2.006 1.00 0.00 N ATOM 340 CA THR A 22 -6.775 -12.077 1.548 1.00 0.00 C ATOM 341 C THR A 22 -5.856 -10.862 1.475 1.00 0.00 C ATOM 342 O THR A 22 -4.773 -10.854 2.062 1.00 0.00 O ATOM 343 CB THR A 22 -7.950 -11.785 2.482 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.520 -11.056 3.618 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.647 -13.034 2.975 1.00 0.00 C ATOM 0 H THR A 22 -5.755 -13.217 2.983 1.00 0.00 H new ATOM 0 HA THR A 22 -7.156 -12.283 0.548 1.00 0.00 H new ATOM 0 HB THR A 22 -8.655 -11.206 1.886 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.783 -11.533 4.053 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.470 -12.756 3.633 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.035 -13.594 2.124 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.938 -13.654 3.524 1.00 0.00 H new ATOM 353 N VAL A 23 -6.294 -9.837 0.752 1.00 0.00 N ATOM 354 CA VAL A 23 -5.511 -8.617 0.604 1.00 0.00 C ATOM 355 C VAL A 23 -5.006 -8.125 1.956 1.00 0.00 C ATOM 356 O VAL A 23 -3.825 -7.819 2.113 1.00 0.00 O ATOM 357 CB VAL A 23 -6.333 -7.499 -0.063 1.00 0.00 C ATOM 358 CG1 VAL A 23 -5.528 -6.210 -0.128 1.00 0.00 C ATOM 359 CG2 VAL A 23 -6.785 -7.925 -1.452 1.00 0.00 C ATOM 0 H VAL A 23 -7.187 -9.827 0.260 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.661 -8.860 -0.034 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.221 -7.315 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.125 -5.431 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.260 -5.897 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.621 -6.376 -0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.365 -7.122 -1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.912 -8.138 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.402 -8.820 -1.375 1.00 0.00 H new ATOM 369 N GLU A 24 -5.908 -8.055 2.929 1.00 0.00 N ATOM 370 CA GLU A 24 -5.550 -7.604 4.268 1.00 0.00 C ATOM 371 C GLU A 24 -4.343 -8.372 4.793 1.00 0.00 C ATOM 372 O GLU A 24 -3.426 -7.789 5.371 1.00 0.00 O ATOM 373 CB GLU A 24 -6.734 -7.775 5.223 1.00 0.00 C ATOM 374 CG GLU A 24 -6.960 -6.578 6.134 1.00 0.00 C ATOM 375 CD GLU A 24 -7.288 -6.983 7.558 1.00 0.00 C ATOM 376 OE1 GLU A 24 -6.608 -7.885 8.090 1.00 0.00 O ATOM 377 OE2 GLU A 24 -8.226 -6.396 8.140 1.00 0.00 O ATOM 0 H GLU A 24 -6.891 -8.304 2.816 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.291 -6.547 4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.638 -7.953 4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.571 -8.662 5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.067 -5.953 6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.774 -5.972 5.736 1.00 0.00 H new ATOM 384 N ASN A 25 -4.347 -9.685 4.582 1.00 0.00 N ATOM 385 CA ASN A 25 -3.248 -10.532 5.030 1.00 0.00 C ATOM 386 C ASN A 25 -1.931 -10.076 4.412 1.00 0.00 C ATOM 387 O ASN A 25 -0.971 -9.773 5.122 1.00 0.00 O ATOM 388 CB ASN A 25 -3.517 -11.993 4.665 1.00 0.00 C ATOM 389 CG ASN A 25 -4.695 -12.572 5.425 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.792 -12.706 4.884 1.00 0.00 O ATOM 391 ND2 ASN A 25 -4.470 -12.919 6.687 1.00 0.00 N ATOM 0 H ASN A 25 -5.098 -10.184 4.105 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.173 -10.446 6.114 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.707 -12.068 3.594 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.627 -12.586 4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.223 -13.315 7.249 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.544 -12.790 7.094 1.00 0.00 H new ATOM 398 N LEU A 26 -1.895 -10.024 3.084 1.00 0.00 N ATOM 399 CA LEU A 26 -0.697 -9.598 2.371 1.00 0.00 C ATOM 400 C LEU A 26 -0.174 -8.284 2.939 1.00 0.00 C ATOM 401 O LEU A 26 0.983 -8.188 3.350 1.00 0.00 O ATOM 402 CB LEU A 26 -0.993 -9.443 0.878 1.00 0.00 C ATOM 403 CG LEU A 26 0.168 -8.908 0.040 1.00 0.00 C ATOM 404 CD1 LEU A 26 1.348 -9.866 0.091 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.272 -8.679 -1.397 1.00 0.00 C ATOM 0 H LEU A 26 -2.680 -10.271 2.482 1.00 0.00 H new ATOM 0 HA LEU A 26 0.069 -10.363 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.292 -10.413 0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.845 -8.774 0.760 1.00 0.00 H new ATOM 0 HG LEU A 26 0.483 -7.952 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.165 -9.469 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.680 -9.980 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.046 -10.837 -0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.568 -8.298 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.614 -9.620 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.086 -7.954 -1.417 1.00 0.00 H new ATOM 417 N LYS A 27 -1.038 -7.274 2.966 1.00 0.00 N ATOM 418 CA LYS A 27 -0.665 -5.967 3.491 1.00 0.00 C ATOM 419 C LYS A 27 -0.117 -6.098 4.907 1.00 0.00 C ATOM 420 O LYS A 27 0.942 -5.555 5.226 1.00 0.00 O ATOM 421 CB LYS A 27 -1.869 -5.024 3.479 1.00 0.00 C ATOM 422 CG LYS A 27 -2.297 -4.604 2.083 1.00 0.00 C ATOM 423 CD LYS A 27 -3.587 -3.800 2.115 1.00 0.00 C ATOM 424 CE LYS A 27 -3.740 -2.946 0.866 1.00 0.00 C ATOM 425 NZ LYS A 27 -3.483 -3.726 -0.376 1.00 0.00 N ATOM 0 H LYS A 27 -1.999 -7.336 2.631 1.00 0.00 H new ATOM 0 HA LYS A 27 0.113 -5.550 2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.707 -5.512 3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.629 -4.134 4.060 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.508 -4.010 1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.434 -5.489 1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.437 -4.477 2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.597 -3.161 2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.747 -2.531 0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.049 -2.104 0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.636 -3.354 -0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.332 -4.726 -0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.301 -3.644 -1.013 1.00 0.00 H new ATOM 439 N ALA A 28 -0.840 -6.827 5.752 1.00 0.00 N ATOM 440 CA ALA A 28 -0.418 -7.033 7.131 1.00 0.00 C ATOM 441 C ALA A 28 1.071 -7.346 7.195 1.00 0.00 C ATOM 442 O ALA A 28 1.806 -6.763 7.992 1.00 0.00 O ATOM 443 CB ALA A 28 -1.226 -8.153 7.769 1.00 0.00 C ATOM 0 H ALA A 28 -1.718 -7.283 5.506 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.598 -6.114 7.688 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.900 -8.296 8.799 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.284 -7.891 7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.074 -9.076 7.209 1.00 0.00 H new ATOM 449 N LYS A 29 1.511 -8.269 6.345 1.00 0.00 N ATOM 450 CA LYS A 29 2.915 -8.658 6.299 1.00 0.00 C ATOM 451 C LYS A 29 3.786 -7.473 5.900 1.00 0.00 C ATOM 452 O LYS A 29 4.846 -7.243 6.483 1.00 0.00 O ATOM 453 CB LYS A 29 3.117 -9.810 5.314 1.00 0.00 C ATOM 454 CG LYS A 29 2.241 -11.019 5.604 1.00 0.00 C ATOM 455 CD LYS A 29 3.022 -12.116 6.308 1.00 0.00 C ATOM 456 CE LYS A 29 2.513 -13.496 5.928 1.00 0.00 C ATOM 457 NZ LYS A 29 3.623 -14.416 5.555 1.00 0.00 N ATOM 0 H LYS A 29 0.915 -8.761 5.679 1.00 0.00 H new ATOM 0 HA LYS A 29 3.210 -8.989 7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.909 -9.455 4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.163 -10.116 5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.396 -10.717 6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.831 -11.405 4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.078 -12.034 6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.945 -11.983 7.387 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.956 -13.920 6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.818 -13.409 5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.233 -15.346 5.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.139 -14.025 4.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.273 -14.520 6.360 1.00 0.00 H new ATOM 471 N ILE A 30 3.330 -6.719 4.904 1.00 0.00 N ATOM 472 CA ILE A 30 4.066 -5.555 4.429 1.00 0.00 C ATOM 473 C ILE A 30 4.210 -4.513 5.533 1.00 0.00 C ATOM 474 O ILE A 30 5.077 -3.642 5.470 1.00 0.00 O ATOM 475 CB ILE A 30 3.374 -4.909 3.213 1.00 0.00 C ATOM 476 CG1 ILE A 30 3.151 -5.948 2.114 1.00 0.00 C ATOM 477 CG2 ILE A 30 4.203 -3.745 2.688 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.316 -5.439 0.960 1.00 0.00 C ATOM 0 H ILE A 30 2.454 -6.894 4.411 1.00 0.00 H new ATOM 0 HA ILE A 30 5.054 -5.904 4.129 1.00 0.00 H new ATOM 0 HB ILE A 30 2.403 -4.526 3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.119 -6.276 1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.664 -6.823 2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.701 -3.299 1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.316 -2.996 3.472 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.187 -4.106 2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.199 -6.230 0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.335 -5.137 1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.811 -4.583 0.502 1.00 0.00 H new ATOM 490 N GLN A 31 3.355 -4.612 6.546 1.00 0.00 N ATOM 491 CA GLN A 31 3.390 -3.681 7.667 1.00 0.00 C ATOM 492 C GLN A 31 4.448 -4.102 8.682 1.00 0.00 C ATOM 493 O GLN A 31 5.036 -3.266 9.366 1.00 0.00 O ATOM 494 CB GLN A 31 2.019 -3.605 8.342 1.00 0.00 C ATOM 495 CG GLN A 31 1.985 -2.682 9.549 1.00 0.00 C ATOM 496 CD GLN A 31 0.629 -2.655 10.225 1.00 0.00 C ATOM 497 OE1 GLN A 31 0.183 -3.653 10.791 1.00 0.00 O ATOM 498 NE2 GLN A 31 -0.037 -1.507 10.171 1.00 0.00 N ATOM 0 H GLN A 31 2.630 -5.327 6.613 1.00 0.00 H new ATOM 0 HA GLN A 31 3.648 -2.694 7.282 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.283 -3.264 7.614 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.720 -4.606 8.652 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.739 -3.003 10.268 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.251 -1.672 9.237 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.369 -0.704 9.691 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.955 -1.429 10.609 1.00 0.00 H new ATOM 507 N ASP A 32 4.683 -5.406 8.773 1.00 0.00 N ATOM 508 CA ASP A 32 5.669 -5.944 9.702 1.00 0.00 C ATOM 509 C ASP A 32 7.045 -6.040 9.048 1.00 0.00 C ATOM 510 O ASP A 32 8.024 -6.413 9.696 1.00 0.00 O ATOM 511 CB ASP A 32 5.232 -7.316 10.199 1.00 0.00 C ATOM 512 CG ASP A 32 5.033 -7.352 11.702 1.00 0.00 C ATOM 513 OD1 ASP A 32 3.949 -6.941 12.167 1.00 0.00 O ATOM 514 OD2 ASP A 32 5.961 -7.791 12.413 1.00 0.00 O ATOM 0 H ASP A 32 4.203 -6.111 8.214 1.00 0.00 H new ATOM 0 HA ASP A 32 5.740 -5.263 10.550 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.302 -7.599 9.706 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.980 -8.057 9.917 1.00 0.00 H new ATOM 519 N LYS A 33 7.115 -5.705 7.762 1.00 0.00 N ATOM 520 CA LYS A 33 8.374 -5.759 7.027 1.00 0.00 C ATOM 521 C LYS A 33 8.807 -4.368 6.579 1.00 0.00 C ATOM 522 O LYS A 33 9.886 -3.896 6.939 1.00 0.00 O ATOM 523 CB LYS A 33 8.240 -6.679 5.811 1.00 0.00 C ATOM 524 CG LYS A 33 8.085 -8.147 6.173 1.00 0.00 C ATOM 525 CD LYS A 33 8.535 -9.051 5.038 1.00 0.00 C ATOM 526 CE LYS A 33 9.752 -9.875 5.430 1.00 0.00 C ATOM 527 NZ LYS A 33 9.369 -11.215 5.953 1.00 0.00 N ATOM 0 H LYS A 33 6.316 -5.394 7.209 1.00 0.00 H new ATOM 0 HA LYS A 33 9.137 -6.158 7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.378 -6.366 5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.119 -6.560 5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.669 -8.366 7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.043 -8.355 6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.719 -9.717 4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.770 -8.447 4.162 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.403 -9.996 4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.325 -9.340 6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.226 -11.746 6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.768 -11.101 6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.845 -11.736 5.222 1.00 0.00 H new ATOM 541 N GLU A 34 7.960 -3.715 5.789 1.00 0.00 N ATOM 542 CA GLU A 34 8.257 -2.377 5.290 1.00 0.00 C ATOM 543 C GLU A 34 7.532 -1.316 6.111 1.00 0.00 C ATOM 544 O GLU A 34 7.474 -0.149 5.724 1.00 0.00 O ATOM 545 CB GLU A 34 7.862 -2.260 3.816 1.00 0.00 C ATOM 546 CG GLU A 34 8.910 -2.807 2.860 1.00 0.00 C ATOM 547 CD GLU A 34 10.214 -2.035 2.921 1.00 0.00 C ATOM 548 OE1 GLU A 34 10.383 -1.226 3.858 1.00 0.00 O ATOM 549 OE2 GLU A 34 11.066 -2.239 2.030 1.00 0.00 O ATOM 0 H GLU A 34 7.063 -4.091 5.481 1.00 0.00 H new ATOM 0 HA GLU A 34 9.330 -2.211 5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.924 -2.792 3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.678 -1.212 3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.100 -3.854 3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.520 -2.775 1.843 1.00 0.00 H new ATOM 556 N GLY A 35 6.984 -1.730 7.249 1.00 0.00 N ATOM 557 CA GLY A 35 6.273 -0.806 8.110 1.00 0.00 C ATOM 558 C GLY A 35 5.223 -0.001 7.367 1.00 0.00 C ATOM 559 O GLY A 35 5.033 1.184 7.641 1.00 0.00 O ATOM 0 H GLY A 35 7.020 -2.691 7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.795 -1.362 8.916 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.987 -0.125 8.573 1.00 0.00 H new ATOM 563 N ILE A 36 4.541 -0.645 6.426 1.00 0.00 N ATOM 564 CA ILE A 36 3.506 0.022 5.645 1.00 0.00 C ATOM 565 C ILE A 36 2.113 -0.430 6.071 1.00 0.00 C ATOM 566 O ILE A 36 1.810 -1.623 6.076 1.00 0.00 O ATOM 567 CB ILE A 36 3.680 -0.242 4.138 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.158 -0.159 3.750 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.857 0.752 3.331 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.389 -0.075 2.258 1.00 0.00 C ATOM 0 H ILE A 36 4.686 -1.626 6.186 1.00 0.00 H new ATOM 0 HA ILE A 36 3.610 1.090 5.834 1.00 0.00 H new ATOM 0 HB ILE A 36 3.323 -1.247 3.915 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.602 0.715 4.228 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.677 -1.034 4.141 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.989 0.555 2.267 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.804 0.649 3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.188 1.766 3.556 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.459 -0.019 2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.976 -0.961 1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.899 0.815 1.864 1.00 0.00 H new ATOM 582 N PRO A 37 1.245 0.525 6.437 1.00 0.00 N ATOM 583 CA PRO A 37 -0.122 0.233 6.869 1.00 0.00 C ATOM 584 C PRO A 37 -1.068 0.005 5.695 1.00 0.00 C ATOM 585 O PRO A 37 -0.881 0.566 4.615 1.00 0.00 O ATOM 586 CB PRO A 37 -0.511 1.496 7.631 1.00 0.00 C ATOM 587 CG PRO A 37 0.246 2.588 6.953 1.00 0.00 C ATOM 588 CD PRO A 37 1.532 1.971 6.460 1.00 0.00 C ATOM 0 HA PRO A 37 -0.183 -0.682 7.458 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.586 1.671 7.587 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.243 1.422 8.685 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.328 3.003 6.125 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.448 3.407 7.643 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.799 2.341 5.470 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.366 2.202 7.123 1.00 0.00 H new ATOM 596 N PRO A 38 -2.101 -0.827 5.895 1.00 0.00 N ATOM 597 CA PRO A 38 -3.087 -1.135 4.854 1.00 0.00 C ATOM 598 C PRO A 38 -3.817 0.112 4.365 1.00 0.00 C ATOM 599 O PRO A 38 -4.222 0.192 3.205 1.00 0.00 O ATOM 600 CB PRO A 38 -4.066 -2.088 5.547 1.00 0.00 C ATOM 601 CG PRO A 38 -3.322 -2.626 6.722 1.00 0.00 C ATOM 602 CD PRO A 38 -2.389 -1.532 7.154 1.00 0.00 C ATOM 0 HA PRO A 38 -2.618 -1.562 3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.970 -1.565 5.859 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.376 -2.890 4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.006 -2.897 7.527 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.770 -3.527 6.456 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.852 -0.873 7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.483 -1.931 7.610 1.00 0.00 H new ATOM 610 N ASP A 39 -3.986 1.081 5.259 1.00 0.00 N ATOM 611 CA ASP A 39 -4.670 2.324 4.921 1.00 0.00 C ATOM 612 C ASP A 39 -3.855 3.143 3.925 1.00 0.00 C ATOM 613 O ASP A 39 -4.406 3.936 3.161 1.00 0.00 O ATOM 614 CB ASP A 39 -4.930 3.147 6.183 1.00 0.00 C ATOM 615 CG ASP A 39 -3.699 3.901 6.646 1.00 0.00 C ATOM 616 OD1 ASP A 39 -2.576 3.441 6.354 1.00 0.00 O ATOM 617 OD2 ASP A 39 -3.859 4.954 7.301 1.00 0.00 O ATOM 0 H ASP A 39 -3.658 1.029 6.224 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.623 2.069 4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.736 3.856 5.992 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.269 2.486 6.981 1.00 0.00 H new ATOM 622 N GLN A 40 -2.541 2.948 3.941 1.00 0.00 N ATOM 623 CA GLN A 40 -1.650 3.673 3.040 1.00 0.00 C ATOM 624 C GLN A 40 -1.086 2.747 1.965 1.00 0.00 C ATOM 625 O GLN A 40 -0.207 3.138 1.197 1.00 0.00 O ATOM 626 CB GLN A 40 -0.506 4.313 3.828 1.00 0.00 C ATOM 627 CG GLN A 40 -0.968 5.361 4.828 1.00 0.00 C ATOM 628 CD GLN A 40 -0.270 6.693 4.640 1.00 0.00 C ATOM 629 OE1 GLN A 40 -0.600 7.457 3.732 1.00 0.00 O ATOM 630 NE2 GLN A 40 0.701 6.979 5.499 1.00 0.00 N ATOM 0 H GLN A 40 -2.069 2.295 4.567 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.230 4.456 2.550 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.040 3.533 4.358 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.193 4.773 3.129 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.044 5.502 4.730 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.785 4.998 5.840 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.941 6.316 6.236 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.207 7.861 5.422 1.00 0.00 H new ATOM 639 N GLN A 41 -1.593 1.519 1.917 1.00 0.00 N ATOM 640 CA GLN A 41 -1.135 0.543 0.936 1.00 0.00 C ATOM 641 C GLN A 41 -2.106 0.445 -0.236 1.00 0.00 C ATOM 642 O GLN A 41 -3.304 0.236 -0.047 1.00 0.00 O ATOM 643 CB GLN A 41 -0.970 -0.829 1.592 1.00 0.00 C ATOM 644 CG GLN A 41 0.443 -1.103 2.077 1.00 0.00 C ATOM 645 CD GLN A 41 0.647 -2.549 2.481 1.00 0.00 C ATOM 646 OE1 GLN A 41 0.873 -3.417 1.637 1.00 0.00 O ATOM 647 NE2 GLN A 41 0.570 -2.816 3.779 1.00 0.00 N ATOM 0 H GLN A 41 -2.320 1.177 2.545 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.170 0.877 0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.656 -0.904 2.436 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.257 -1.601 0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.151 -0.846 1.289 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.664 -0.457 2.927 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.381 -2.066 4.444 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.700 -3.771 4.112 1.00 0.00 H new ATOM 656 N ARG A 42 -1.577 0.592 -1.446 1.00 0.00 N ATOM 657 CA ARG A 42 -2.392 0.515 -2.654 1.00 0.00 C ATOM 658 C ARG A 42 -1.743 -0.406 -3.681 1.00 0.00 C ATOM 659 O ARG A 42 -0.912 0.025 -4.477 1.00 0.00 O ATOM 660 CB ARG A 42 -2.585 1.910 -3.254 1.00 0.00 C ATOM 661 CG ARG A 42 -3.659 2.729 -2.555 1.00 0.00 C ATOM 662 CD ARG A 42 -4.027 3.966 -3.360 1.00 0.00 C ATOM 663 NE ARG A 42 -4.708 3.624 -4.605 1.00 0.00 N ATOM 664 CZ ARG A 42 -5.979 3.240 -4.669 1.00 0.00 C ATOM 665 NH1 ARG A 42 -6.702 3.152 -3.560 1.00 0.00 N ATOM 666 NH2 ARG A 42 -6.526 2.944 -5.840 1.00 0.00 N ATOM 0 H ARG A 42 -0.586 0.765 -1.617 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.366 0.107 -2.384 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.640 2.451 -3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.844 1.811 -4.308 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.546 2.114 -2.404 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.306 3.027 -1.568 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.669 4.611 -2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.125 4.535 -3.584 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.179 3.683 -5.475 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.283 3.379 -2.658 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.677 2.857 -3.609 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.971 3.011 -6.693 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.501 2.649 -5.887 1.00 0.00 H new ATOM 680 N LEU A 43 -2.125 -1.678 -3.654 1.00 0.00 N ATOM 681 CA LEU A 43 -1.574 -2.659 -4.581 1.00 0.00 C ATOM 682 C LEU A 43 -2.395 -2.725 -5.864 1.00 0.00 C ATOM 683 O LEU A 43 -3.625 -2.772 -5.827 1.00 0.00 O ATOM 684 CB LEU A 43 -1.525 -4.040 -3.923 1.00 0.00 C ATOM 685 CG LEU A 43 -0.666 -4.126 -2.660 1.00 0.00 C ATOM 686 CD1 LEU A 43 -1.214 -5.182 -1.714 1.00 0.00 C ATOM 687 CD2 LEU A 43 0.780 -4.431 -3.021 1.00 0.00 C ATOM 0 H LEU A 43 -2.813 -2.053 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.562 -2.347 -4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.542 -4.343 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.148 -4.759 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.699 -3.161 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.591 -5.229 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.234 -4.923 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.211 -6.152 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.378 -4.489 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.830 -5.383 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.170 -3.640 -3.662 1.00 0.00 H new ATOM 699 N ILE A 44 -1.703 -2.730 -7.000 1.00 0.00 N ATOM 700 CA ILE A 44 -2.362 -2.792 -8.298 1.00 0.00 C ATOM 701 C ILE A 44 -1.769 -3.902 -9.158 1.00 0.00 C ATOM 702 O ILE A 44 -0.631 -3.804 -9.618 1.00 0.00 O ATOM 703 CB ILE A 44 -2.241 -1.455 -9.054 1.00 0.00 C ATOM 704 CG1 ILE A 44 -2.295 -0.282 -8.075 1.00 0.00 C ATOM 705 CG2 ILE A 44 -3.342 -1.334 -10.096 1.00 0.00 C ATOM 706 CD1 ILE A 44 -2.460 1.062 -8.749 1.00 0.00 C ATOM 0 H ILE A 44 -0.685 -2.692 -7.046 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.415 -3.001 -8.110 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.279 -1.431 -9.566 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.122 -0.436 -7.382 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.380 -0.272 -7.482 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.243 -0.384 -10.621 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.259 -2.154 -10.810 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.314 -1.377 -9.605 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.490 1.847 -7.993 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.620 1.238 -9.421 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.389 1.071 -9.319 1.00 0.00 H new ATOM 718 N PHE A 45 -2.545 -4.959 -9.371 1.00 0.00 N ATOM 719 CA PHE A 45 -2.093 -6.089 -10.176 1.00 0.00 C ATOM 720 C PHE A 45 -2.899 -6.199 -11.466 1.00 0.00 C ATOM 721 O PHE A 45 -4.130 -6.222 -11.440 1.00 0.00 O ATOM 722 CB PHE A 45 -2.207 -7.389 -9.378 1.00 0.00 C ATOM 723 CG PHE A 45 -1.307 -8.481 -9.880 1.00 0.00 C ATOM 724 CD1 PHE A 45 0.036 -8.228 -10.139 1.00 0.00 C ATOM 725 CD2 PHE A 45 -1.801 -9.763 -10.095 1.00 0.00 C ATOM 726 CE1 PHE A 45 0.869 -9.234 -10.602 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.973 -10.773 -10.558 1.00 0.00 C ATOM 728 CZ PHE A 45 0.364 -10.507 -10.812 1.00 0.00 C ATOM 0 H PHE A 45 -3.489 -5.057 -8.998 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.048 -5.920 -10.436 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.971 -7.186 -8.333 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.240 -7.736 -9.410 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.434 -7.237 -9.978 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.842 -9.974 -9.899 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.910 -9.026 -10.799 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.368 -11.765 -10.721 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.012 -11.292 -11.173 1.00 0.00 H new ATOM 738 N ALA A 46 -2.197 -6.271 -12.591 1.00 0.00 N ATOM 739 CA ALA A 46 -2.846 -6.381 -13.891 1.00 0.00 C ATOM 740 C ALA A 46 -3.886 -5.283 -14.083 1.00 0.00 C ATOM 741 O ALA A 46 -4.879 -5.471 -14.786 1.00 0.00 O ATOM 742 CB ALA A 46 -3.488 -7.752 -14.044 1.00 0.00 C ATOM 0 H ALA A 46 -1.178 -6.255 -12.629 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.084 -6.259 -14.661 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.970 -7.821 -15.019 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.722 -8.524 -13.961 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.233 -7.895 -13.261 1.00 0.00 H new ATOM 748 N GLY A 47 -3.652 -4.137 -13.453 1.00 0.00 N ATOM 749 CA GLY A 47 -4.577 -3.026 -13.569 1.00 0.00 C ATOM 750 C GLY A 47 -5.797 -3.193 -12.684 1.00 0.00 C ATOM 751 O GLY A 47 -6.838 -2.582 -12.928 1.00 0.00 O ATOM 0 H GLY A 47 -2.838 -3.958 -12.864 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.064 -2.101 -13.305 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.895 -2.929 -14.607 1.00 0.00 H new ATOM 755 N LYS A 48 -5.670 -4.022 -11.654 1.00 0.00 N ATOM 756 CA LYS A 48 -6.770 -4.268 -10.730 1.00 0.00 C ATOM 757 C LYS A 48 -6.380 -3.889 -9.305 1.00 0.00 C ATOM 758 O LYS A 48 -5.550 -4.551 -8.681 1.00 0.00 O ATOM 759 CB LYS A 48 -7.188 -5.740 -10.783 1.00 0.00 C ATOM 760 CG LYS A 48 -8.694 -5.944 -10.792 1.00 0.00 C ATOM 761 CD LYS A 48 -9.195 -6.332 -12.174 1.00 0.00 C ATOM 762 CE LYS A 48 -9.758 -7.743 -12.187 1.00 0.00 C ATOM 763 NZ LYS A 48 -9.788 -8.316 -13.561 1.00 0.00 N ATOM 0 H LYS A 48 -4.815 -4.535 -11.438 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.612 -3.646 -11.034 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.762 -6.198 -11.676 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.764 -6.261 -9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.961 -6.721 -10.076 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.188 -5.028 -10.468 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.965 -5.629 -12.494 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.378 -6.259 -12.892 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.155 -8.381 -11.541 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.767 -7.735 -11.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.179 -9.279 -13.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.384 -7.722 -14.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.822 -8.348 -13.945 1.00 0.00 H new ATOM 777 N GLN A 49 -6.983 -2.819 -8.797 1.00 0.00 N ATOM 778 CA GLN A 49 -6.698 -2.351 -7.444 1.00 0.00 C ATOM 779 C GLN A 49 -7.259 -3.317 -6.406 1.00 0.00 C ATOM 780 O GLN A 49 -8.464 -3.345 -6.158 1.00 0.00 O ATOM 781 CB GLN A 49 -7.287 -0.956 -7.231 1.00 0.00 C ATOM 782 CG GLN A 49 -6.272 0.064 -6.741 1.00 0.00 C ATOM 783 CD GLN A 49 -6.319 0.257 -5.237 1.00 0.00 C ATOM 784 OE1 GLN A 49 -5.312 0.099 -4.548 1.00 0.00 O ATOM 785 NE2 GLN A 49 -7.493 0.601 -4.721 1.00 0.00 N ATOM 0 H GLN A 49 -7.671 -2.260 -9.301 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.616 -2.303 -7.322 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.718 -0.606 -8.169 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.102 -1.021 -6.510 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.271 -0.256 -7.032 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.456 1.019 -7.232 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.302 0.721 -5.330 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.586 0.745 -3.715 1.00 0.00 H new ATOM 794 N LEU A 50 -6.377 -4.107 -5.802 1.00 0.00 N ATOM 795 CA LEU A 50 -6.785 -5.074 -4.790 1.00 0.00 C ATOM 796 C LEU A 50 -7.621 -4.406 -3.702 1.00 0.00 C ATOM 797 O LEU A 50 -7.175 -3.453 -3.062 1.00 0.00 O ATOM 798 CB LEU A 50 -5.558 -5.743 -4.167 1.00 0.00 C ATOM 799 CG LEU A 50 -4.468 -6.151 -5.159 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.411 -7.000 -4.471 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.075 -6.900 -6.336 1.00 0.00 C ATOM 0 H LEU A 50 -5.376 -4.096 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.396 -5.834 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.125 -5.062 -3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.884 -6.630 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.988 -5.248 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.644 -7.281 -5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.956 -6.429 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.874 -7.899 -4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.286 -7.183 -7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.580 -7.796 -5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.794 -6.258 -6.844 1.00 0.00 H new ATOM 813 N GLU A 51 -8.833 -4.912 -3.498 1.00 0.00 N ATOM 814 CA GLU A 51 -9.730 -4.364 -2.486 1.00 0.00 C ATOM 815 C GLU A 51 -9.667 -5.184 -1.202 1.00 0.00 C ATOM 816 O GLU A 51 -9.992 -6.371 -1.195 1.00 0.00 O ATOM 817 CB GLU A 51 -11.166 -4.329 -3.013 1.00 0.00 C ATOM 818 CG GLU A 51 -11.428 -3.201 -3.996 1.00 0.00 C ATOM 819 CD GLU A 51 -10.891 -1.867 -3.513 1.00 0.00 C ATOM 820 OE1 GLU A 51 -10.869 -1.648 -2.283 1.00 0.00 O ATOM 821 OE2 GLU A 51 -10.493 -1.044 -4.362 1.00 0.00 O ATOM 0 H GLU A 51 -9.217 -5.700 -4.020 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.407 -3.347 -2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.389 -5.280 -3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.851 -4.231 -2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.971 -3.446 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.501 -3.116 -4.167 1.00 0.00 H new ATOM 828 N ASP A 52 -9.246 -4.544 -0.115 1.00 0.00 N ATOM 829 CA ASP A 52 -9.142 -5.216 1.174 1.00 0.00 C ATOM 830 C ASP A 52 -10.426 -5.973 1.499 1.00 0.00 C ATOM 831 O ASP A 52 -11.397 -5.390 1.979 1.00 0.00 O ATOM 832 CB ASP A 52 -8.839 -4.204 2.280 1.00 0.00 C ATOM 833 CG ASP A 52 -7.580 -4.547 3.050 1.00 0.00 C ATOM 834 OD1 ASP A 52 -7.111 -5.700 2.940 1.00 0.00 O ATOM 835 OD2 ASP A 52 -7.061 -3.662 3.764 1.00 0.00 O ATOM 0 H ASP A 52 -8.972 -3.562 -0.102 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.323 -5.933 1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.734 -3.212 1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.682 -4.160 2.969 1.00 0.00 H new ATOM 840 N GLY A 53 -10.423 -7.274 1.231 1.00 0.00 N ATOM 841 CA GLY A 53 -11.593 -8.090 1.499 1.00 0.00 C ATOM 842 C GLY A 53 -11.693 -9.282 0.569 1.00 0.00 C ATOM 843 O GLY A 53 -12.412 -10.241 0.851 1.00 0.00 O ATOM 0 H GLY A 53 -9.631 -7.779 0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.560 -8.440 2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.490 -7.478 1.399 1.00 0.00 H new ATOM 847 N ARG A 54 -10.969 -9.221 -0.545 1.00 0.00 N ATOM 848 CA ARG A 54 -10.978 -10.304 -1.521 1.00 0.00 C ATOM 849 C ARG A 54 -9.756 -11.199 -1.350 1.00 0.00 C ATOM 850 O ARG A 54 -8.760 -10.799 -0.747 1.00 0.00 O ATOM 851 CB ARG A 54 -11.015 -9.737 -2.941 1.00 0.00 C ATOM 852 CG ARG A 54 -11.779 -8.427 -3.054 1.00 0.00 C ATOM 853 CD ARG A 54 -13.265 -8.665 -3.273 1.00 0.00 C ATOM 854 NE ARG A 54 -14.087 -7.817 -2.414 1.00 0.00 N ATOM 855 CZ ARG A 54 -14.245 -6.511 -2.602 1.00 0.00 C ATOM 856 NH1 ARG A 54 -13.639 -5.908 -3.616 1.00 0.00 N ATOM 857 NH2 ARG A 54 -15.008 -5.807 -1.778 1.00 0.00 N ATOM 0 H ARG A 54 -10.370 -8.434 -0.793 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.872 -10.905 -1.354 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.993 -9.583 -3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.470 -10.472 -3.605 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.633 -7.840 -2.147 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.378 -7.841 -3.881 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.513 -8.473 -4.317 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.497 -9.712 -3.078 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.567 -8.251 -1.626 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.051 -6.447 -4.252 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.761 -4.906 -3.760 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.476 -6.268 -0.997 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.127 -4.805 -1.925 1.00 0.00 H new ATOM 871 N THR A 55 -9.837 -12.414 -1.884 1.00 0.00 N ATOM 872 CA THR A 55 -8.737 -13.365 -1.790 1.00 0.00 C ATOM 873 C THR A 55 -7.789 -13.221 -2.976 1.00 0.00 C ATOM 874 O THR A 55 -8.161 -12.683 -4.019 1.00 0.00 O ATOM 875 CB THR A 55 -9.277 -14.795 -1.724 1.00 0.00 C ATOM 876 OG1 THR A 55 -10.357 -14.964 -2.625 1.00 0.00 O ATOM 877 CG2 THR A 55 -9.764 -15.187 -0.346 1.00 0.00 C ATOM 0 H THR A 55 -10.654 -12.762 -2.386 1.00 0.00 H new ATOM 0 HA THR A 55 -8.181 -13.151 -0.877 1.00 0.00 H new ATOM 0 HB THR A 55 -8.436 -15.435 -1.990 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.688 -15.885 -2.570 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.134 -16.212 -0.369 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.941 -15.114 0.365 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.568 -14.518 -0.040 1.00 0.00 H new ATOM 885 N LEU A 56 -6.564 -13.707 -2.810 1.00 0.00 N ATOM 886 CA LEU A 56 -5.562 -13.633 -3.869 1.00 0.00 C ATOM 887 C LEU A 56 -6.045 -14.351 -5.125 1.00 0.00 C ATOM 888 O LEU A 56 -5.835 -13.879 -6.242 1.00 0.00 O ATOM 889 CB LEU A 56 -4.240 -14.241 -3.396 1.00 0.00 C ATOM 890 CG LEU A 56 -3.593 -13.539 -2.201 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.083 -13.729 -2.225 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.945 -12.059 -2.197 1.00 0.00 C ATOM 0 H LEU A 56 -6.240 -14.156 -1.953 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.403 -12.582 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.411 -15.285 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.536 -14.232 -4.228 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.982 -13.987 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.639 -13.223 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.849 -14.793 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.678 -13.307 -3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.476 -11.576 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.585 -11.597 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.027 -11.942 -2.132 1.00 0.00 H new ATOM 904 N SER A 57 -6.691 -15.498 -4.933 1.00 0.00 N ATOM 905 CA SER A 57 -7.202 -16.283 -6.049 1.00 0.00 C ATOM 906 C SER A 57 -8.193 -15.472 -6.878 1.00 0.00 C ATOM 907 O SER A 57 -8.374 -15.723 -8.070 1.00 0.00 O ATOM 908 CB SER A 57 -7.871 -17.560 -5.537 1.00 0.00 C ATOM 909 OG SER A 57 -9.239 -17.608 -5.908 1.00 0.00 O ATOM 0 H SER A 57 -6.872 -15.903 -4.015 1.00 0.00 H new ATOM 0 HA SER A 57 -6.360 -16.553 -6.686 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.352 -18.431 -5.938 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.784 -17.609 -4.452 1.00 0.00 H new ATOM 0 HG SER A 57 -9.641 -18.435 -5.569 1.00 0.00 H new ATOM 915 N ASP A 58 -8.833 -14.498 -6.240 1.00 0.00 N ATOM 916 CA ASP A 58 -9.806 -13.650 -6.918 1.00 0.00 C ATOM 917 C ASP A 58 -9.130 -12.767 -7.963 1.00 0.00 C ATOM 918 O ASP A 58 -9.798 -12.096 -8.749 1.00 0.00 O ATOM 919 CB ASP A 58 -10.548 -12.778 -5.903 1.00 0.00 C ATOM 920 CG ASP A 58 -11.489 -13.582 -5.029 1.00 0.00 C ATOM 921 OD1 ASP A 58 -11.781 -14.745 -5.381 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.937 -13.049 -3.991 1.00 0.00 O ATOM 0 H ASP A 58 -8.695 -14.276 -5.254 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.521 -14.298 -7.425 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.823 -12.262 -5.273 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.114 -12.011 -6.432 1.00 0.00 H new ATOM 927 N TYR A 59 -7.800 -12.770 -7.967 1.00 0.00 N ATOM 928 CA TYR A 59 -7.038 -11.966 -8.916 1.00 0.00 C ATOM 929 C TYR A 59 -6.194 -12.851 -9.827 1.00 0.00 C ATOM 930 O TYR A 59 -5.154 -12.427 -10.331 1.00 0.00 O ATOM 931 CB TYR A 59 -6.140 -10.977 -8.172 1.00 0.00 C ATOM 932 CG TYR A 59 -6.907 -9.969 -7.344 1.00 0.00 C ATOM 933 CD1 TYR A 59 -7.573 -8.905 -7.949 1.00 0.00 C ATOM 934 CD2 TYR A 59 -6.966 -10.081 -5.956 1.00 0.00 C ATOM 935 CE1 TYR A 59 -8.276 -7.979 -7.194 1.00 0.00 C ATOM 936 CE2 TYR A 59 -7.667 -9.160 -5.194 1.00 0.00 C ATOM 937 CZ TYR A 59 -8.321 -8.111 -5.818 1.00 0.00 C ATOM 938 OH TYR A 59 -9.018 -7.194 -5.066 1.00 0.00 O ATOM 0 H TYR A 59 -7.229 -13.319 -7.325 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.745 -11.412 -9.533 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.464 -11.531 -7.521 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.521 -10.446 -8.895 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.541 -8.800 -9.023 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.457 -10.898 -5.467 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.786 -7.159 -7.678 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.703 -9.260 -4.119 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.155 -7.548 -4.163 1.00 0.00 H new ATOM 948 N ASN A 60 -6.648 -14.083 -10.037 1.00 0.00 N ATOM 949 CA ASN A 60 -5.935 -15.026 -10.889 1.00 0.00 C ATOM 950 C ASN A 60 -4.429 -14.929 -10.669 1.00 0.00 C ATOM 951 O ASN A 60 -3.648 -14.980 -11.619 1.00 0.00 O ATOM 952 CB ASN A 60 -6.264 -14.765 -12.360 1.00 0.00 C ATOM 953 CG ASN A 60 -6.173 -13.295 -12.721 1.00 0.00 C ATOM 954 OD1 ASN A 60 -5.084 -12.723 -12.773 1.00 0.00 O ATOM 955 ND2 ASN A 60 -7.320 -12.675 -12.973 1.00 0.00 N ATOM 0 H ASN A 60 -7.507 -14.451 -9.628 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.258 -16.032 -10.623 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.579 -15.334 -12.989 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.269 -15.127 -12.574 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.321 -11.686 -13.221 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.200 -13.188 -12.918 1.00 0.00 H new ATOM 962 N LEU A 61 -4.026 -14.790 -9.409 1.00 0.00 N ATOM 963 CA LEU A 61 -2.613 -14.687 -9.066 1.00 0.00 C ATOM 964 C LEU A 61 -1.887 -15.998 -9.353 1.00 0.00 C ATOM 965 O LEU A 61 -2.514 -17.048 -9.492 1.00 0.00 O ATOM 966 CB LEU A 61 -2.451 -14.311 -7.591 1.00 0.00 C ATOM 967 CG LEU A 61 -2.441 -12.809 -7.305 1.00 0.00 C ATOM 968 CD1 LEU A 61 -2.862 -12.537 -5.868 1.00 0.00 C ATOM 969 CD2 LEU A 61 -1.064 -12.224 -7.579 1.00 0.00 C ATOM 0 H LEU A 61 -4.658 -14.746 -8.610 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.170 -13.905 -9.683 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.262 -14.768 -7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.521 -14.742 -7.222 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.158 -12.326 -7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.849 -11.463 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.869 -12.921 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.170 -13.031 -5.186 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.075 -11.154 -7.370 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.328 -12.711 -6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.801 -12.387 -8.624 1.00 0.00 H new ATOM 981 N GLN A 62 -0.562 -15.929 -9.441 1.00 0.00 N ATOM 982 CA GLN A 62 0.248 -17.113 -9.712 1.00 0.00 C ATOM 983 C GLN A 62 1.603 -17.017 -9.016 1.00 0.00 C ATOM 984 O GLN A 62 2.001 -15.950 -8.551 1.00 0.00 O ATOM 985 CB GLN A 62 0.448 -17.285 -11.218 1.00 0.00 C ATOM 986 CG GLN A 62 -0.713 -17.982 -11.911 1.00 0.00 C ATOM 987 CD GLN A 62 -0.703 -19.482 -11.698 1.00 0.00 C ATOM 988 OE1 GLN A 62 0.126 -20.196 -12.260 1.00 0.00 O ATOM 989 NE2 GLN A 62 -1.630 -19.969 -10.881 1.00 0.00 N ATOM 0 H GLN A 62 -0.027 -15.068 -9.329 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.281 -17.982 -9.320 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.595 -16.304 -11.671 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.360 -17.856 -11.392 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.652 -17.572 -11.539 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.674 -17.770 -12.979 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.298 -19.340 -10.436 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.673 -20.972 -10.699 1.00 0.00 H new ATOM 998 N LYS A 63 2.307 -18.143 -8.953 1.00 0.00 N ATOM 999 CA LYS A 63 3.619 -18.191 -8.318 1.00 0.00 C ATOM 1000 C LYS A 63 4.458 -16.978 -8.712 1.00 0.00 C ATOM 1001 O LYS A 63 4.423 -16.532 -9.859 1.00 0.00 O ATOM 1002 CB LYS A 63 4.346 -19.483 -8.705 1.00 0.00 C ATOM 1003 CG LYS A 63 5.861 -19.396 -8.594 1.00 0.00 C ATOM 1004 CD LYS A 63 6.314 -19.365 -7.144 1.00 0.00 C ATOM 1005 CE LYS A 63 7.711 -19.943 -6.986 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.586 -19.066 -6.160 1.00 0.00 N ATOM 0 H LYS A 63 1.990 -19.035 -9.334 1.00 0.00 H new ATOM 0 HA LYS A 63 3.477 -18.173 -7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.991 -20.293 -8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.081 -19.744 -9.730 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.313 -20.250 -9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.213 -18.500 -9.105 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.300 -18.338 -6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.613 -19.931 -6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.646 -20.928 -6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.160 -20.081 -7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.574 -19.174 -6.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.294 -18.075 -6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.502 -19.336 -5.159 1.00 0.00 H new ATOM 1020 N GLU A 64 5.211 -16.450 -7.752 1.00 0.00 N ATOM 1021 CA GLU A 64 6.060 -15.289 -7.998 1.00 0.00 C ATOM 1022 C GLU A 64 5.336 -14.259 -8.859 1.00 0.00 C ATOM 1023 O GLU A 64 5.466 -14.257 -10.083 1.00 0.00 O ATOM 1024 CB GLU A 64 7.361 -15.717 -8.680 1.00 0.00 C ATOM 1025 CG GLU A 64 8.213 -14.549 -9.150 1.00 0.00 C ATOM 1026 CD GLU A 64 8.268 -14.438 -10.660 1.00 0.00 C ATOM 1027 OE1 GLU A 64 8.885 -15.317 -11.299 1.00 0.00 O ATOM 1028 OE2 GLU A 64 7.697 -13.471 -11.206 1.00 0.00 O ATOM 0 H GLU A 64 5.251 -16.807 -6.797 1.00 0.00 H new ATOM 0 HA GLU A 64 6.295 -14.832 -7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.942 -16.324 -7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.122 -16.350 -9.535 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.814 -13.623 -8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.225 -14.662 -8.761 1.00 0.00 H new ATOM 1035 N SER A 65 4.574 -13.384 -8.212 1.00 0.00 N ATOM 1036 CA SER A 65 3.829 -12.349 -8.918 1.00 0.00 C ATOM 1037 C SER A 65 4.492 -10.986 -8.739 1.00 0.00 C ATOM 1038 O SER A 65 5.226 -10.763 -7.778 1.00 0.00 O ATOM 1039 CB SER A 65 2.386 -12.296 -8.416 1.00 0.00 C ATOM 1040 OG SER A 65 1.602 -13.315 -9.011 1.00 0.00 O ATOM 0 H SER A 65 4.456 -13.371 -7.199 1.00 0.00 H new ATOM 0 HA SER A 65 3.827 -12.597 -9.979 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.370 -12.407 -7.332 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.954 -11.321 -8.643 1.00 0.00 H new ATOM 0 HG SER A 65 1.877 -14.187 -8.659 1.00 0.00 H new ATOM 1046 N THR A 66 4.226 -10.079 -9.673 1.00 0.00 N ATOM 1047 CA THR A 66 4.796 -8.738 -9.618 1.00 0.00 C ATOM 1048 C THR A 66 3.701 -7.687 -9.466 1.00 0.00 C ATOM 1049 O THR A 66 3.110 -7.243 -10.451 1.00 0.00 O ATOM 1050 CB THR A 66 5.615 -8.458 -10.880 1.00 0.00 C ATOM 1051 OG1 THR A 66 6.644 -9.419 -11.034 1.00 0.00 O ATOM 1052 CG2 THR A 66 6.264 -7.090 -10.879 1.00 0.00 C ATOM 0 H THR A 66 3.620 -10.248 -10.476 1.00 0.00 H new ATOM 0 HA THR A 66 5.450 -8.684 -8.748 1.00 0.00 H new ATOM 0 HB THR A 66 4.903 -8.506 -11.704 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.155 -9.224 -11.847 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.829 -6.955 -11.801 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.494 -6.322 -10.810 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.937 -7.007 -10.025 1.00 0.00 H new ATOM 1060 N ILE A 67 3.437 -7.292 -8.225 1.00 0.00 N ATOM 1061 CA ILE A 67 2.414 -6.292 -7.943 1.00 0.00 C ATOM 1062 C ILE A 67 3.034 -4.911 -7.761 1.00 0.00 C ATOM 1063 O ILE A 67 4.136 -4.779 -7.229 1.00 0.00 O ATOM 1064 CB ILE A 67 1.609 -6.650 -6.679 1.00 0.00 C ATOM 1065 CG1 ILE A 67 1.296 -8.147 -6.652 1.00 0.00 C ATOM 1066 CG2 ILE A 67 0.326 -5.834 -6.621 1.00 0.00 C ATOM 1067 CD1 ILE A 67 1.627 -8.810 -5.333 1.00 0.00 C ATOM 0 H ILE A 67 3.917 -7.649 -7.399 1.00 0.00 H new ATOM 0 HA ILE A 67 1.741 -6.278 -8.800 1.00 0.00 H new ATOM 0 HB ILE A 67 2.211 -6.409 -5.803 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.237 -8.293 -6.867 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.854 -8.641 -7.448 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.232 -6.097 -5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.571 -4.772 -6.598 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.281 -6.047 -7.501 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.379 -9.870 -5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.691 -8.696 -5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.050 -8.342 -4.536 1.00 0.00 H new ATOM 1079 N HIS A 68 2.318 -3.883 -8.206 1.00 0.00 N ATOM 1080 CA HIS A 68 2.798 -2.510 -8.092 1.00 0.00 C ATOM 1081 C HIS A 68 2.240 -1.841 -6.840 1.00 0.00 C ATOM 1082 O HIS A 68 1.078 -1.434 -6.808 1.00 0.00 O ATOM 1083 CB HIS A 68 2.407 -1.706 -9.333 1.00 0.00 C ATOM 1084 CG HIS A 68 2.938 -2.283 -10.609 1.00 0.00 C ATOM 1085 ND1 HIS A 68 3.324 -1.507 -11.682 1.00 0.00 N ATOM 1086 CD2 HIS A 68 3.146 -3.568 -10.981 1.00 0.00 C ATOM 1087 CE1 HIS A 68 3.747 -2.290 -12.659 1.00 0.00 C ATOM 1088 NE2 HIS A 68 3.650 -3.544 -12.259 1.00 0.00 N ATOM 0 H HIS A 68 1.404 -3.975 -8.649 1.00 0.00 H new ATOM 0 HA HIS A 68 3.885 -2.537 -8.013 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.320 -1.651 -9.393 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.773 -0.685 -9.225 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.952 -4.447 -10.385 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.110 -1.960 -13.621 1.00 0.00 H new ATOM 0 HE2 HIS A 68 3.908 -4.363 -12.810 1.00 0.00 H new ATOM 1097 N LEU A 69 3.074 -1.729 -5.812 1.00 0.00 N ATOM 1098 CA LEU A 69 2.661 -1.108 -4.559 1.00 0.00 C ATOM 1099 C LEU A 69 2.699 0.410 -4.666 1.00 0.00 C ATOM 1100 O LEU A 69 3.752 1.003 -4.899 1.00 0.00 O ATOM 1101 CB LEU A 69 3.558 -1.573 -3.410 1.00 0.00 C ATOM 1102 CG LEU A 69 3.293 -0.887 -2.068 1.00 0.00 C ATOM 1103 CD1 LEU A 69 2.201 -1.617 -1.300 1.00 0.00 C ATOM 1104 CD2 LEU A 69 4.570 -0.815 -1.244 1.00 0.00 C ATOM 0 H LEU A 69 4.039 -2.060 -5.822 1.00 0.00 H new ATOM 0 HA LEU A 69 1.635 -1.415 -4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.433 -2.648 -3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.598 -1.404 -3.689 1.00 0.00 H new ATOM 0 HG LEU A 69 2.953 0.130 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.027 -1.114 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.281 -1.615 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.511 -2.645 -1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.362 -0.324 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.941 -1.823 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.323 -0.246 -1.789 1.00 0.00 H new ATOM 1116 N VAL A 70 1.540 1.033 -4.493 1.00 0.00 N ATOM 1117 CA VAL A 70 1.431 2.483 -4.568 1.00 0.00 C ATOM 1118 C VAL A 70 1.139 3.079 -3.197 1.00 0.00 C ATOM 1119 O VAL A 70 0.546 2.428 -2.338 1.00 0.00 O ATOM 1120 CB VAL A 70 0.323 2.918 -5.547 1.00 0.00 C ATOM 1121 CG1 VAL A 70 0.729 4.185 -6.283 1.00 0.00 C ATOM 1122 CG2 VAL A 70 0.003 1.801 -6.530 1.00 0.00 C ATOM 0 H VAL A 70 0.660 0.554 -4.299 1.00 0.00 H new ATOM 0 HA VAL A 70 2.390 2.853 -4.931 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.578 3.130 -4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.065 4.477 -6.970 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.899 4.985 -5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.645 4.002 -6.845 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.782 2.130 -7.212 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.898 1.551 -7.100 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.337 0.921 -5.983 1.00 0.00 H new ATOM 1132 N LEU A 71 1.561 4.322 -3.003 1.00 0.00 N ATOM 1133 CA LEU A 71 1.346 5.013 -1.737 1.00 0.00 C ATOM 1134 C LEU A 71 0.233 6.048 -1.864 1.00 0.00 C ATOM 1135 O LEU A 71 0.262 6.899 -2.754 1.00 0.00 O ATOM 1136 CB LEU A 71 2.638 5.690 -1.275 1.00 0.00 C ATOM 1137 CG LEU A 71 2.887 5.643 0.233 1.00 0.00 C ATOM 1138 CD1 LEU A 71 1.718 6.264 0.984 1.00 0.00 C ATOM 1139 CD2 LEU A 71 3.118 4.212 0.691 1.00 0.00 C ATOM 0 H LEU A 71 2.054 4.873 -3.706 1.00 0.00 H new ATOM 0 HA LEU A 71 1.046 4.273 -0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.480 5.218 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.618 6.732 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 71 3.784 6.222 0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.911 6.223 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.599 7.303 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.806 5.712 0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.293 4.198 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.240 3.609 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.987 3.801 0.176 1.00 0.00 H new ATOM 1151 N ARG A 72 -0.746 5.969 -0.969 1.00 0.00 N ATOM 1152 CA ARG A 72 -1.870 6.898 -0.978 1.00 0.00 C ATOM 1153 C ARG A 72 -1.543 8.160 -0.187 1.00 0.00 C ATOM 1154 O ARG A 72 -0.992 8.091 0.912 1.00 0.00 O ATOM 1155 CB ARG A 72 -3.116 6.227 -0.397 1.00 0.00 C ATOM 1156 CG ARG A 72 -4.417 6.748 -0.985 1.00 0.00 C ATOM 1157 CD ARG A 72 -5.617 5.995 -0.434 1.00 0.00 C ATOM 1158 NE ARG A 72 -6.704 5.911 -1.405 1.00 0.00 N ATOM 1159 CZ ARG A 72 -7.633 6.850 -1.554 1.00 0.00 C ATOM 1160 NH1 ARG A 72 -7.605 7.939 -0.797 1.00 0.00 N ATOM 1161 NH2 ARG A 72 -8.589 6.701 -2.460 1.00 0.00 N ATOM 0 H ARG A 72 -0.784 5.270 -0.227 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.065 7.182 -2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -3.054 5.152 -0.569 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.129 6.377 0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.519 7.810 -0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.392 6.651 -2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.312 4.990 -0.144 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.974 6.492 0.468 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.753 5.086 -2.002 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.870 8.057 -0.100 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.318 8.659 -0.912 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.612 5.865 -3.044 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.301 7.422 -2.573 1.00 0.00 H new ATOM 1175 N LEU A 73 -1.886 9.313 -0.753 1.00 0.00 N ATOM 1176 CA LEU A 73 -1.629 10.591 -0.099 1.00 0.00 C ATOM 1177 C LEU A 73 -2.541 10.779 1.109 1.00 0.00 C ATOM 1178 O LEU A 73 -3.291 9.876 1.480 1.00 0.00 O ATOM 1179 CB LEU A 73 -1.830 11.743 -1.086 1.00 0.00 C ATOM 1180 CG LEU A 73 -1.234 11.515 -2.477 1.00 0.00 C ATOM 1181 CD1 LEU A 73 -2.068 12.222 -3.536 1.00 0.00 C ATOM 1182 CD2 LEU A 73 0.209 11.994 -2.524 1.00 0.00 C ATOM 0 H LEU A 73 -2.342 9.388 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.595 10.591 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.899 11.929 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.390 12.646 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.247 10.446 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.630 12.049 -4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.085 11.831 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.087 13.292 -3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.617 11.824 -3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.247 13.059 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.799 11.443 -1.792 1.00 0.00 H new ATOM 1194 N ARG A 74 -2.470 11.957 1.718 1.00 0.00 N ATOM 1195 CA ARG A 74 -3.286 12.266 2.885 1.00 0.00 C ATOM 1196 C ARG A 74 -4.694 11.697 2.735 1.00 0.00 C ATOM 1197 O ARG A 74 -5.285 11.214 3.700 1.00 0.00 O ATOM 1198 CB ARG A 74 -3.355 13.780 3.097 1.00 0.00 C ATOM 1199 CG ARG A 74 -3.945 14.532 1.916 1.00 0.00 C ATOM 1200 CD ARG A 74 -3.596 16.010 1.968 1.00 0.00 C ATOM 1201 NE ARG A 74 -4.788 16.850 2.053 1.00 0.00 N ATOM 1202 CZ ARG A 74 -5.666 16.981 1.065 1.00 0.00 C ATOM 1203 NH1 ARG A 74 -5.486 16.330 -0.076 1.00 0.00 N ATOM 1204 NH2 ARG A 74 -6.728 17.762 1.218 1.00 0.00 N ATOM 0 H ARG A 74 -1.855 12.715 1.422 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.820 11.804 3.755 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.953 13.988 3.985 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.351 14.157 3.293 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.573 14.101 0.986 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.028 14.413 1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.955 16.201 2.829 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.025 16.279 1.079 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.955 17.364 2.918 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.672 15.727 -0.196 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.162 16.432 -0.833 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.871 18.263 2.095 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.401 17.862 0.458 1.00 0.00 H new ATOM 1218 N GLY A 75 -5.225 11.759 1.518 1.00 0.00 N ATOM 1219 CA GLY A 75 -6.559 11.245 1.265 1.00 0.00 C ATOM 1220 C GLY A 75 -7.577 11.757 2.265 1.00 0.00 C ATOM 1221 O GLY A 75 -8.391 10.990 2.781 1.00 0.00 O ATOM 0 H GLY A 75 -4.756 12.155 0.703 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.869 11.527 0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.538 10.156 1.298 1.00 0.00 H new ATOM 1225 N GLY A 76 -7.529 13.056 2.542 1.00 0.00 N ATOM 1226 CA GLY A 76 -8.459 13.647 3.486 1.00 0.00 C ATOM 1227 C GLY A 76 -8.852 15.061 3.105 1.00 0.00 C ATOM 1228 O GLY A 76 -8.898 15.358 1.893 1.00 0.00 O ATOM 1229 OXT GLY A 76 -9.116 15.870 4.019 1.00 0.00 O ATOM 0 H GLY A 76 -6.863 13.709 2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.354 13.028 3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.009 13.653 4.479 1.00 0.00 H new TER 1233 GLY A 76