USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 627 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 Single : A 1 MET CE :methyl -119:sc= 0 (180deg=-0.176) USER MOD Single : A 1 MET N :NH3+ 159:sc= -2.48! (180deg=-3.08!) USER MOD Single : A 2 GLN : amide:sc= -0.642 X(o=-0.64,f=-0.81) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -170:sc= -0.124 USER MOD Single : A 9 THR OG1 : rot -40:sc= 0.659 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -103:sc= 0.149 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 25 ASN : amide:sc= -0.524 K(o=-0.52,f=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 0.595 (180deg=0.244) 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=-0.4) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0205) USER MOD Single : A 40 GLN : amide:sc= -1.55 K(o=-1.6,f=-4!) USER MOD Single : A 41 GLN : amide:sc= -1.11 K(o=-1.1,f=-5.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0134 X(o=-0.013,f=-0.1) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 50:sc= -0.483 USER MOD Single : A 60 ASN : amide:sc= -0.439 K(o=-0.44,f=-2.2) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 28:sc= -1.16 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.549 -5.612 4.552 1.00 0.00 N ATOM 2 CA MET A 1 -12.678 -4.937 5.832 1.00 0.00 C ATOM 3 C MET A 1 -11.878 -3.632 5.848 1.00 0.00 C ATOM 4 O MET A 1 -11.424 -3.166 4.803 1.00 0.00 O ATOM 5 CB MET A 1 -12.176 -5.856 6.948 1.00 0.00 C ATOM 6 CG MET A 1 -10.679 -6.137 6.795 1.00 0.00 C ATOM 7 SD MET A 1 -10.134 -7.255 8.075 1.00 0.00 S ATOM 8 CE MET A 1 -10.723 -8.801 7.406 1.00 0.00 C ATOM 0 H1 MET A 1 -12.781 -6.619 4.666 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.201 -5.182 3.865 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.572 -5.519 4.207 1.00 0.00 H new ATOM 0 HA MET A 1 -13.730 -4.699 5.990 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.366 -5.395 7.917 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.730 -6.795 6.928 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.480 -6.569 5.814 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.118 -5.204 6.852 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.441 -9.246 8.095 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.205 -8.621 6.445 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.883 -9.482 7.268 1.00 0.00 H new ATOM 18 N GLN A 2 -11.731 -3.079 7.042 1.00 0.00 N ATOM 19 CA GLN A 2 -10.994 -1.838 7.207 1.00 0.00 C ATOM 20 C GLN A 2 -9.497 -2.123 7.348 1.00 0.00 C ATOM 21 O GLN A 2 -9.108 -3.185 7.831 1.00 0.00 O ATOM 22 CB GLN A 2 -11.517 -1.044 8.405 1.00 0.00 C ATOM 23 CG GLN A 2 -10.691 0.225 8.626 1.00 0.00 C ATOM 24 CD GLN A 2 -11.349 1.134 9.666 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.743 2.255 9.386 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.446 0.591 10.875 1.00 0.00 N ATOM 0 H GLN A 2 -12.110 -3.468 7.906 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.145 -1.228 6.316 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.561 -0.778 8.241 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.482 -1.665 9.300 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.687 -0.043 8.955 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.584 0.762 7.684 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.095 -0.353 11.040 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.871 1.118 11.638 1.00 0.00 H new ATOM 35 N ILE A 3 -8.700 -1.156 6.919 1.00 0.00 N ATOM 36 CA ILE A 3 -7.255 -1.292 6.992 1.00 0.00 C ATOM 37 C ILE A 3 -6.639 0.062 7.356 1.00 0.00 C ATOM 38 O ILE A 3 -7.263 1.103 7.165 1.00 0.00 O ATOM 39 CB ILE A 3 -6.706 -1.887 5.694 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.942 -0.943 4.513 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.289 -3.279 5.441 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.826 0.098 4.413 1.00 0.00 C ATOM 0 H ILE A 3 -9.027 -0.276 6.520 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.977 -1.993 7.779 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.627 -2.003 5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.993 -1.517 3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.903 -0.442 4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.883 -3.680 4.512 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.026 -3.939 6.267 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.374 -3.210 5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.017 0.756 3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.794 0.686 5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.870 -0.406 4.272 1.00 0.00 H new ATOM 54 N PHE A 4 -5.421 0.001 7.875 1.00 0.00 N ATOM 55 CA PHE A 4 -4.714 1.208 8.269 1.00 0.00 C ATOM 56 C PHE A 4 -3.416 1.365 7.474 1.00 0.00 C ATOM 57 O PHE A 4 -2.401 0.758 7.811 1.00 0.00 O ATOM 58 CB PHE A 4 -4.376 1.064 9.753 1.00 0.00 C ATOM 59 CG PHE A 4 -5.581 1.213 10.684 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.671 0.416 10.518 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.564 2.142 11.677 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.789 0.554 11.381 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.682 2.280 12.540 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.771 1.483 12.374 1.00 0.00 C ATOM 0 H PHE A 4 -4.906 -0.865 8.032 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.335 2.083 8.077 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.921 0.087 9.918 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.630 1.812 10.019 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.685 -0.322 9.729 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.699 2.775 11.809 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.654 -0.079 11.249 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.668 3.018 13.328 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.622 1.588 13.031 1.00 0.00 H new ATOM 74 N VAL A 5 -3.491 2.184 6.436 1.00 0.00 N ATOM 75 CA VAL A 5 -2.335 2.430 5.591 1.00 0.00 C ATOM 76 C VAL A 5 -1.500 3.563 6.192 1.00 0.00 C ATOM 77 O VAL A 5 -2.047 4.501 6.771 1.00 0.00 O ATOM 78 CB VAL A 5 -2.785 2.715 4.156 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.438 4.096 4.051 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.616 2.586 3.179 1.00 0.00 C ATOM 0 H VAL A 5 -4.335 2.686 6.161 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.699 1.545 5.548 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.532 1.969 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.749 4.274 3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.309 4.137 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.722 4.861 4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.963 2.794 2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.836 3.298 3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.214 1.574 3.224 1.00 0.00 H new ATOM 90 N LYS A 6 -0.191 3.439 6.034 1.00 0.00 N ATOM 91 CA LYS A 6 0.724 4.442 6.554 1.00 0.00 C ATOM 92 C LYS A 6 1.338 5.218 5.388 1.00 0.00 C ATOM 93 O LYS A 6 1.505 4.678 4.296 1.00 0.00 O ATOM 94 CB LYS A 6 1.758 3.795 7.476 1.00 0.00 C ATOM 95 CG LYS A 6 1.987 4.646 8.727 1.00 0.00 C ATOM 96 CD LYS A 6 2.605 3.813 9.852 1.00 0.00 C ATOM 97 CE LYS A 6 4.131 3.919 9.837 1.00 0.00 C ATOM 98 NZ LYS A 6 4.737 2.751 10.513 1.00 0.00 N ATOM 0 H LYS A 6 0.259 2.660 5.553 1.00 0.00 H new ATOM 0 HA LYS A 6 0.189 5.164 7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.420 2.800 7.766 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.699 3.669 6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.643 5.483 8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.040 5.069 9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.223 4.154 10.814 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.308 2.770 9.742 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.488 3.977 8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.443 4.837 10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.773 2.838 10.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.410 2.713 11.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.454 1.880 10.021 1.00 0.00 H new ATOM 112 N THR A 7 1.659 6.475 5.659 1.00 0.00 N ATOM 113 CA THR A 7 2.251 7.332 4.647 1.00 0.00 C ATOM 114 C THR A 7 3.769 7.402 4.828 1.00 0.00 C ATOM 115 O THR A 7 4.292 7.003 5.868 1.00 0.00 O ATOM 116 CB THR A 7 1.566 8.698 4.723 1.00 0.00 C ATOM 117 OG1 THR A 7 0.182 8.386 4.848 1.00 0.00 O ATOM 118 CG2 THR A 7 1.656 9.473 3.407 1.00 0.00 C ATOM 0 H THR A 7 1.520 6.920 6.566 1.00 0.00 H new ATOM 0 HA THR A 7 2.093 6.929 3.647 1.00 0.00 H new ATOM 0 HB THR A 7 2.018 9.286 5.522 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.348 9.204 4.745 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.154 10.435 3.516 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.703 9.637 3.152 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.175 8.901 2.614 1.00 0.00 H new ATOM 126 N LEU A 8 4.433 7.912 3.801 1.00 0.00 N ATOM 127 CA LEU A 8 5.880 8.038 3.835 1.00 0.00 C ATOM 128 C LEU A 8 6.276 9.015 4.944 1.00 0.00 C ATOM 129 O LEU A 8 7.445 9.096 5.316 1.00 0.00 O ATOM 130 CB LEU A 8 6.415 8.425 2.455 1.00 0.00 C ATOM 131 CG LEU A 8 7.900 8.145 2.209 1.00 0.00 C ATOM 132 CD1 LEU A 8 8.175 6.640 2.175 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.387 8.846 0.939 1.00 0.00 C ATOM 0 H LEU A 8 3.996 8.243 2.941 1.00 0.00 H new ATOM 0 HA LEU A 8 6.341 7.080 4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.835 7.894 1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.236 9.489 2.303 1.00 0.00 H new ATOM 0 HG LEU A 8 8.469 8.558 3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.237 6.468 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.889 6.196 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.595 6.182 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.445 8.631 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.817 8.485 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.247 9.922 1.041 1.00 0.00 H new ATOM 145 N THR A 9 5.279 9.733 5.442 1.00 0.00 N ATOM 146 CA THR A 9 5.509 10.700 6.501 1.00 0.00 C ATOM 147 C THR A 9 5.100 10.116 7.854 1.00 0.00 C ATOM 148 O THR A 9 5.052 10.832 8.854 1.00 0.00 O ATOM 149 CB THR A 9 4.758 11.983 6.140 1.00 0.00 C ATOM 150 OG1 THR A 9 5.209 12.932 7.103 1.00 0.00 O ATOM 151 CG2 THR A 9 3.254 11.874 6.401 1.00 0.00 C ATOM 0 H THR A 9 4.310 9.664 5.131 1.00 0.00 H new ATOM 0 HA THR A 9 6.568 10.941 6.594 1.00 0.00 H new ATOM 0 HB THR A 9 4.928 12.220 5.090 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.286 12.498 7.978 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.769 12.811 6.128 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.839 11.063 5.803 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.082 11.671 7.458 1.00 0.00 H new ATOM 159 N GLY A 10 4.815 8.822 7.843 1.00 0.00 N ATOM 160 CA GLY A 10 4.411 8.134 9.058 1.00 0.00 C ATOM 161 C GLY A 10 2.983 8.515 9.455 1.00 0.00 C ATOM 162 O GLY A 10 2.603 8.384 10.617 1.00 0.00 O ATOM 0 H GLY A 10 4.856 8.232 7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.475 7.056 8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.097 8.385 9.867 1.00 0.00 H new ATOM 166 N LYS A 11 2.232 8.978 8.467 1.00 0.00 N ATOM 167 CA LYS A 11 0.855 9.379 8.698 1.00 0.00 C ATOM 168 C LYS A 11 -0.039 8.137 8.704 1.00 0.00 C ATOM 169 O LYS A 11 0.235 7.168 7.997 1.00 0.00 O ATOM 170 CB LYS A 11 0.427 10.439 7.682 1.00 0.00 C ATOM 171 CG LYS A 11 -0.920 11.055 8.066 1.00 0.00 C ATOM 172 CD LYS A 11 -0.802 12.571 8.234 1.00 0.00 C ATOM 173 CE LYS A 11 -2.101 13.271 7.828 1.00 0.00 C ATOM 174 NZ LYS A 11 -1.814 14.423 6.945 1.00 0.00 N ATOM 0 H LYS A 11 2.551 9.084 7.504 1.00 0.00 H new ATOM 0 HA LYS A 11 0.755 9.850 9.676 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.185 11.220 7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.356 9.990 6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.660 10.827 7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.276 10.609 8.995 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.566 12.808 9.271 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.022 12.945 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.756 12.566 7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.632 13.610 8.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.706 14.887 6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.207 15.102 7.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.327 14.091 6.088 1.00 0.00 H new ATOM 188 N THR A 12 -1.089 8.206 9.509 1.00 0.00 N ATOM 189 CA THR A 12 -2.025 7.099 9.615 1.00 0.00 C ATOM 190 C THR A 12 -3.307 7.409 8.842 1.00 0.00 C ATOM 191 O THR A 12 -4.030 8.346 9.181 1.00 0.00 O ATOM 192 CB THR A 12 -2.262 6.823 11.101 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.992 6.389 11.581 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.178 5.620 11.333 1.00 0.00 C ATOM 0 H THR A 12 -1.313 9.011 10.094 1.00 0.00 H new ATOM 0 HA THR A 12 -1.621 6.194 9.161 1.00 0.00 H new ATOM 0 HB THR A 12 -2.696 7.706 11.570 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.055 6.190 12.539 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.314 5.467 12.404 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.146 5.805 10.867 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.728 4.730 10.894 1.00 0.00 H new ATOM 202 N ILE A 13 -3.553 6.606 7.818 1.00 0.00 N ATOM 203 CA ILE A 13 -4.737 6.782 6.994 1.00 0.00 C ATOM 204 C ILE A 13 -5.523 5.470 6.951 1.00 0.00 C ATOM 205 O ILE A 13 -5.040 4.471 6.421 1.00 0.00 O ATOM 206 CB ILE A 13 -4.353 7.316 5.613 1.00 0.00 C ATOM 207 CG1 ILE A 13 -4.150 8.832 5.647 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.382 6.899 4.559 1.00 0.00 C ATOM 209 CD1 ILE A 13 -5.475 9.567 5.445 1.00 0.00 C ATOM 0 H ILE A 13 -2.952 5.831 7.539 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.396 7.534 7.428 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.400 6.871 5.328 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.711 9.122 6.601 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.445 9.126 4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.086 7.291 3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.434 5.811 4.511 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.360 7.297 4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.302 10.643 5.474 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.899 9.293 4.479 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.169 9.290 6.238 1.00 0.00 H new ATOM 221 N THR A 14 -6.720 5.516 7.515 1.00 0.00 N ATOM 222 CA THR A 14 -7.579 4.344 7.548 1.00 0.00 C ATOM 223 C THR A 14 -8.582 4.386 6.393 1.00 0.00 C ATOM 224 O THR A 14 -9.089 5.450 6.044 1.00 0.00 O ATOM 225 CB THR A 14 -8.239 4.279 8.925 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.195 4.633 9.828 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.614 2.852 9.329 1.00 0.00 C ATOM 0 H THR A 14 -7.116 6.347 7.954 1.00 0.00 H new ATOM 0 HA THR A 14 -7.005 3.429 7.405 1.00 0.00 H new ATOM 0 HB THR A 14 -9.133 4.903 8.928 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.850 3.825 10.262 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.079 2.863 10.315 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.314 2.440 8.602 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.716 2.234 9.358 1.00 0.00 H new ATOM 235 N LEU A 15 -8.839 3.213 5.832 1.00 0.00 N ATOM 236 CA LEU A 15 -9.772 3.101 4.725 1.00 0.00 C ATOM 237 C LEU A 15 -10.647 1.863 4.923 1.00 0.00 C ATOM 238 O LEU A 15 -10.143 0.788 5.245 1.00 0.00 O ATOM 239 CB LEU A 15 -9.025 3.119 3.390 1.00 0.00 C ATOM 240 CG LEU A 15 -9.880 3.373 2.146 1.00 0.00 C ATOM 241 CD1 LEU A 15 -9.530 4.719 1.507 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.757 2.218 1.151 1.00 0.00 C ATOM 0 H LEU A 15 -8.417 2.332 6.124 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.439 3.962 4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.253 3.887 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.516 2.163 3.268 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.925 3.423 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.151 4.876 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.709 5.520 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.480 4.721 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.374 2.424 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.717 2.112 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.092 1.294 1.623 1.00 0.00 H new ATOM 254 N GLU A 16 -11.943 2.054 4.723 1.00 0.00 N ATOM 255 CA GLU A 16 -12.893 0.965 4.876 1.00 0.00 C ATOM 256 C GLU A 16 -13.141 0.284 3.528 1.00 0.00 C ATOM 257 O GLU A 16 -13.662 0.905 2.602 1.00 0.00 O ATOM 258 CB GLU A 16 -14.203 1.463 5.489 1.00 0.00 C ATOM 259 CG GLU A 16 -14.818 2.576 4.640 1.00 0.00 C ATOM 260 CD GLU A 16 -15.024 3.846 5.467 1.00 0.00 C ATOM 261 OE1 GLU A 16 -15.564 3.713 6.588 1.00 0.00 O ATOM 262 OE2 GLU A 16 -14.637 4.922 4.962 1.00 0.00 O ATOM 0 H GLU A 16 -12.357 2.947 4.456 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.467 0.230 5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.907 0.635 5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.019 1.830 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.169 2.792 3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.773 2.243 4.234 1.00 0.00 H new ATOM 269 N VAL A 17 -12.758 -0.982 3.460 1.00 0.00 N ATOM 270 CA VAL A 17 -12.933 -1.753 2.242 1.00 0.00 C ATOM 271 C VAL A 17 -13.423 -3.158 2.598 1.00 0.00 C ATOM 272 O VAL A 17 -13.577 -3.486 3.774 1.00 0.00 O ATOM 273 CB VAL A 17 -11.632 -1.760 1.436 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.253 -0.345 0.996 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.499 -2.410 2.231 1.00 0.00 C ATOM 0 H VAL A 17 -12.327 -1.493 4.230 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.692 -1.296 1.607 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.796 -2.357 0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.325 -0.378 0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.047 0.068 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.116 0.285 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.586 -2.402 1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.336 -1.853 3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.767 -3.439 2.471 1.00 0.00 H new ATOM 285 N GLU A 18 -13.655 -3.950 1.562 1.00 0.00 N ATOM 286 CA GLU A 18 -14.125 -5.311 1.750 1.00 0.00 C ATOM 287 C GLU A 18 -13.002 -6.307 1.450 1.00 0.00 C ATOM 288 O GLU A 18 -12.055 -5.983 0.735 1.00 0.00 O ATOM 289 CB GLU A 18 -15.354 -5.594 0.883 1.00 0.00 C ATOM 290 CG GLU A 18 -16.641 -5.469 1.701 1.00 0.00 C ATOM 291 CD GLU A 18 -17.733 -6.387 1.147 1.00 0.00 C ATOM 292 OE1 GLU A 18 -18.459 -5.923 0.242 1.00 0.00 O ATOM 293 OE2 GLU A 18 -17.816 -7.531 1.642 1.00 0.00 O ATOM 0 H GLU A 18 -13.526 -3.674 0.588 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.422 -5.430 2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.382 -4.897 0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.283 -6.596 0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.441 -5.723 2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.987 -4.436 1.686 1.00 0.00 H new ATOM 300 N PRO A 19 -13.149 -7.530 2.026 1.00 0.00 N ATOM 301 CA PRO A 19 -12.158 -8.575 1.827 1.00 0.00 C ATOM 302 C PRO A 19 -12.276 -9.182 0.427 1.00 0.00 C ATOM 303 O PRO A 19 -11.361 -9.860 -0.037 1.00 0.00 O ATOM 304 CB PRO A 19 -12.422 -9.582 2.934 1.00 0.00 C ATOM 305 CG PRO A 19 -13.833 -9.303 3.426 1.00 0.00 C ATOM 306 CD PRO A 19 -14.257 -7.950 2.879 1.00 0.00 C ATOM 0 HA PRO A 19 -11.135 -8.202 1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.333 -10.603 2.562 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.698 -9.473 3.742 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.516 -10.082 3.089 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.864 -9.301 4.516 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.186 -8.025 2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.431 -7.235 3.683 1.00 0.00 H new ATOM 314 N SER A 20 -13.408 -8.915 -0.207 1.00 0.00 N ATOM 315 CA SER A 20 -13.656 -9.425 -1.544 1.00 0.00 C ATOM 316 C SER A 20 -13.131 -8.437 -2.587 1.00 0.00 C ATOM 317 O SER A 20 -12.962 -8.792 -3.753 1.00 0.00 O ATOM 318 CB SER A 20 -15.147 -9.688 -1.765 1.00 0.00 C ATOM 319 OG SER A 20 -15.373 -10.641 -2.800 1.00 0.00 O ATOM 0 H SER A 20 -14.164 -8.351 0.181 1.00 0.00 H new ATOM 0 HA SER A 20 -13.127 -10.372 -1.652 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.593 -10.047 -0.838 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.647 -8.753 -2.018 1.00 0.00 H new ATOM 0 HG SER A 20 -16.336 -10.783 -2.910 1.00 0.00 H new ATOM 325 N ASP A 21 -12.886 -7.218 -2.130 1.00 0.00 N ATOM 326 CA ASP A 21 -12.383 -6.176 -3.010 1.00 0.00 C ATOM 327 C ASP A 21 -10.920 -6.463 -3.349 1.00 0.00 C ATOM 328 O ASP A 21 -10.181 -6.999 -2.524 1.00 0.00 O ATOM 329 CB ASP A 21 -12.453 -4.804 -2.335 1.00 0.00 C ATOM 330 CG ASP A 21 -13.805 -4.459 -1.710 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.787 -5.147 -2.064 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.828 -3.514 -0.892 1.00 0.00 O ATOM 0 H ASP A 21 -13.026 -6.928 -1.162 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.999 -6.167 -3.909 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.689 -4.758 -1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.205 -4.040 -3.072 1.00 0.00 H new ATOM 337 N THR A 22 -10.544 -6.095 -4.565 1.00 0.00 N ATOM 338 CA THR A 22 -9.181 -6.306 -5.023 1.00 0.00 C ATOM 339 C THR A 22 -8.286 -5.145 -4.587 1.00 0.00 C ATOM 340 O THR A 22 -8.778 -4.110 -4.141 1.00 0.00 O ATOM 341 CB THR A 22 -9.219 -6.508 -6.538 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.410 -5.196 -7.059 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.460 -7.276 -6.997 1.00 0.00 C ATOM 0 H THR A 22 -11.159 -5.652 -5.247 1.00 0.00 H new ATOM 0 HA THR A 22 -8.745 -7.197 -4.572 1.00 0.00 H new ATOM 0 HB THR A 22 -8.324 -7.044 -6.854 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.445 -5.234 -8.038 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.436 -7.391 -8.081 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.473 -8.260 -6.528 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.356 -6.725 -6.710 1.00 0.00 H new ATOM 351 N ILE A 23 -6.986 -5.356 -4.730 1.00 0.00 N ATOM 352 CA ILE A 23 -6.016 -4.340 -4.356 1.00 0.00 C ATOM 353 C ILE A 23 -6.221 -3.101 -5.229 1.00 0.00 C ATOM 354 O ILE A 23 -5.947 -1.981 -4.799 1.00 0.00 O ATOM 355 CB ILE A 23 -4.596 -4.906 -4.415 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.332 -5.847 -3.238 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.561 -3.782 -4.495 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.279 -5.074 -1.919 1.00 0.00 C ATOM 0 H ILE A 23 -6.581 -6.216 -5.100 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.167 -4.031 -3.322 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.500 -5.496 -5.326 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.116 -6.603 -3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.390 -6.374 -3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.560 -4.211 -4.536 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.738 -3.188 -5.391 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.647 -3.145 -3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.090 -5.767 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.478 -4.335 -1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.231 -4.568 -1.755 1.00 0.00 H new ATOM 370 N GLU A 24 -6.701 -3.341 -6.441 1.00 0.00 N ATOM 371 CA GLU A 24 -6.946 -2.258 -7.378 1.00 0.00 C ATOM 372 C GLU A 24 -8.124 -1.404 -6.906 1.00 0.00 C ATOM 373 O GLU A 24 -8.083 -0.179 -6.999 1.00 0.00 O ATOM 374 CB GLU A 24 -7.190 -2.799 -8.788 1.00 0.00 C ATOM 375 CG GLU A 24 -6.911 -1.726 -9.843 1.00 0.00 C ATOM 376 CD GLU A 24 -6.998 -2.310 -11.255 1.00 0.00 C ATOM 377 OE1 GLU A 24 -6.345 -3.350 -11.480 1.00 0.00 O ATOM 378 OE2 GLU A 24 -7.717 -1.700 -12.077 1.00 0.00 O ATOM 0 H GLU A 24 -6.927 -4.270 -6.795 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.058 -1.627 -7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.550 -3.664 -8.965 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.221 -3.142 -8.877 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.628 -0.912 -9.737 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.920 -1.301 -9.682 1.00 0.00 H new ATOM 385 N ASN A 25 -9.147 -2.086 -6.411 1.00 0.00 N ATOM 386 CA ASN A 25 -10.334 -1.405 -5.925 1.00 0.00 C ATOM 387 C ASN A 25 -9.970 -0.565 -4.699 1.00 0.00 C ATOM 388 O ASN A 25 -10.391 0.585 -4.583 1.00 0.00 O ATOM 389 CB ASN A 25 -11.413 -2.408 -5.508 1.00 0.00 C ATOM 390 CG ASN A 25 -12.798 -1.758 -5.514 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.021 -0.717 -6.110 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.713 -2.428 -4.819 1.00 0.00 N ATOM 0 H ASN A 25 -9.178 -3.103 -6.336 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.716 -0.778 -6.731 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.404 -3.260 -6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.192 -2.792 -4.512 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.669 -2.076 -4.762 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.459 -3.294 -4.343 1.00 0.00 H new ATOM 399 N VAL A 26 -9.191 -1.173 -3.816 1.00 0.00 N ATOM 400 CA VAL A 26 -8.766 -0.495 -2.603 1.00 0.00 C ATOM 401 C VAL A 26 -7.897 0.708 -2.974 1.00 0.00 C ATOM 402 O VAL A 26 -8.075 1.799 -2.432 1.00 0.00 O ATOM 403 CB VAL A 26 -8.054 -1.482 -1.675 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.732 -0.832 -0.327 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.884 -2.753 -1.486 1.00 0.00 C ATOM 0 H VAL A 26 -8.843 -2.127 -3.916 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.629 -0.117 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.112 -1.764 -2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.226 -1.554 0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.083 0.030 -0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.657 -0.508 0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.355 -3.437 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.849 -2.496 -1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.040 -3.233 -2.452 1.00 0.00 H new ATOM 415 N LYS A 27 -6.977 0.472 -3.897 1.00 0.00 N ATOM 416 CA LYS A 27 -6.080 1.522 -4.347 1.00 0.00 C ATOM 417 C LYS A 27 -6.895 2.627 -5.024 1.00 0.00 C ATOM 418 O LYS A 27 -6.564 3.805 -4.912 1.00 0.00 O ATOM 419 CB LYS A 27 -4.976 0.942 -5.232 1.00 0.00 C ATOM 420 CG LYS A 27 -3.713 0.654 -4.417 1.00 0.00 C ATOM 421 CD LYS A 27 -2.993 -0.590 -4.943 1.00 0.00 C ATOM 422 CE LYS A 27 -1.701 -0.208 -5.667 1.00 0.00 C ATOM 423 NZ LYS A 27 -1.170 -1.365 -6.424 1.00 0.00 N ATOM 0 H LYS A 27 -6.833 -0.432 -4.346 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.569 1.976 -3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.327 0.023 -5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.743 1.642 -6.035 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.043 1.513 -4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.977 0.510 -3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.766 -1.261 -4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.648 -1.134 -5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.890 0.623 -6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.959 0.133 -4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.516 -1.028 -7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.664 -2.001 -5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.957 -1.879 -6.869 1.00 0.00 H new ATOM 437 N ALA A 28 -7.945 2.205 -5.713 1.00 0.00 N ATOM 438 CA ALA A 28 -8.810 3.142 -6.409 1.00 0.00 C ATOM 439 C ALA A 28 -9.512 4.037 -5.386 1.00 0.00 C ATOM 440 O ALA A 28 -9.669 5.236 -5.609 1.00 0.00 O ATOM 441 CB ALA A 28 -9.800 2.372 -7.285 1.00 0.00 C ATOM 0 H ALA A 28 -8.216 1.226 -5.804 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.226 3.786 -7.067 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.448 3.076 -7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.253 1.774 -8.014 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.406 1.716 -6.660 1.00 0.00 H new ATOM 447 N LYS A 29 -9.915 3.420 -4.285 1.00 0.00 N ATOM 448 CA LYS A 29 -10.596 4.145 -3.227 1.00 0.00 C ATOM 449 C LYS A 29 -9.645 5.187 -2.634 1.00 0.00 C ATOM 450 O LYS A 29 -10.031 6.335 -2.418 1.00 0.00 O ATOM 451 CB LYS A 29 -11.167 3.174 -2.192 1.00 0.00 C ATOM 452 CG LYS A 29 -12.689 3.302 -2.100 1.00 0.00 C ATOM 453 CD LYS A 29 -13.278 2.215 -1.199 1.00 0.00 C ATOM 454 CE LYS A 29 -14.548 2.709 -0.503 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.705 2.632 -1.423 1.00 0.00 N ATOM 0 H LYS A 29 -9.783 2.425 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.453 4.686 -3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.900 2.152 -2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.722 3.373 -1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.952 4.285 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.124 3.229 -3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.505 1.329 -1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.542 1.918 -0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.741 2.107 0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.410 3.737 -0.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.559 2.971 -0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.525 3.225 -2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.845 1.646 -1.722 1.00 0.00 H new ATOM 469 N ILE A 30 -8.419 4.748 -2.387 1.00 0.00 N ATOM 470 CA ILE A 30 -7.409 5.628 -1.822 1.00 0.00 C ATOM 471 C ILE A 30 -7.099 6.745 -2.819 1.00 0.00 C ATOM 472 O ILE A 30 -6.798 7.870 -2.422 1.00 0.00 O ATOM 473 CB ILE A 30 -6.179 4.825 -1.395 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.574 3.657 -0.489 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.134 5.731 -0.739 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.589 2.494 -0.634 1.00 0.00 C ATOM 0 H ILE A 30 -8.102 3.795 -2.568 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.781 6.104 -0.915 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.722 4.399 -2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.600 3.989 0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.580 3.320 -0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.270 5.136 -0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.822 6.498 -1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.565 6.205 0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.892 1.677 0.020 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.584 2.148 -1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.589 2.828 -0.358 1.00 0.00 H new ATOM 488 N GLN A 31 -7.181 6.397 -4.095 1.00 0.00 N ATOM 489 CA GLN A 31 -6.912 7.358 -5.152 1.00 0.00 C ATOM 490 C GLN A 31 -7.961 8.471 -5.136 1.00 0.00 C ATOM 491 O GLN A 31 -7.619 9.650 -5.060 1.00 0.00 O ATOM 492 CB GLN A 31 -6.862 6.670 -6.518 1.00 0.00 C ATOM 493 CG GLN A 31 -6.645 7.690 -7.637 1.00 0.00 C ATOM 494 CD GLN A 31 -7.259 7.201 -8.951 1.00 0.00 C ATOM 495 OE1 GLN A 31 -7.408 6.014 -9.192 1.00 0.00 O ATOM 496 NE2 GLN A 31 -7.604 8.179 -9.784 1.00 0.00 N ATOM 0 H GLN A 31 -7.430 5.463 -4.421 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.934 7.805 -4.971 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.057 5.935 -6.530 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.792 6.128 -6.690 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.091 8.644 -7.356 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.578 7.865 -7.773 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.451 9.152 -9.519 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.021 7.956 -10.688 1.00 0.00 H new ATOM 505 N ASP A 32 -9.218 8.059 -5.210 1.00 0.00 N ATOM 506 CA ASP A 32 -10.319 9.006 -5.206 1.00 0.00 C ATOM 507 C ASP A 32 -10.299 9.798 -3.897 1.00 0.00 C ATOM 508 O ASP A 32 -10.736 10.947 -3.856 1.00 0.00 O ATOM 509 CB ASP A 32 -11.665 8.286 -5.303 1.00 0.00 C ATOM 510 CG ASP A 32 -12.629 8.856 -6.346 1.00 0.00 C ATOM 511 OD1 ASP A 32 -12.432 8.533 -7.538 1.00 0.00 O ATOM 512 OD2 ASP A 32 -13.542 9.600 -5.928 1.00 0.00 O ATOM 0 H ASP A 32 -9.498 7.080 -5.273 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.200 9.665 -6.066 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.483 7.236 -5.534 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.149 8.319 -4.327 1.00 0.00 H new ATOM 517 N LYS A 33 -9.788 9.152 -2.859 1.00 0.00 N ATOM 518 CA LYS A 33 -9.706 9.781 -1.552 1.00 0.00 C ATOM 519 C LYS A 33 -8.504 10.727 -1.522 1.00 0.00 C ATOM 520 O LYS A 33 -8.669 11.946 -1.487 1.00 0.00 O ATOM 521 CB LYS A 33 -9.684 8.722 -0.448 1.00 0.00 C ATOM 522 CG LYS A 33 -11.056 8.593 0.216 1.00 0.00 C ATOM 523 CD LYS A 33 -11.485 7.128 0.307 1.00 0.00 C ATOM 524 CE LYS A 33 -12.968 6.969 -0.031 1.00 0.00 C ATOM 525 NZ LYS A 33 -13.808 7.635 0.989 1.00 0.00 N ATOM 0 H LYS A 33 -9.427 8.199 -2.897 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.593 10.386 -1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.387 7.761 -0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.937 8.987 0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.023 9.029 1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.794 9.157 -0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.886 6.527 -0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.295 6.752 1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.171 7.397 -1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.223 5.911 -0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.809 7.417 0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.543 7.293 1.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.663 8.664 0.940 1.00 0.00 H new ATOM 539 N GLU A 34 -7.322 10.130 -1.534 1.00 0.00 N ATOM 540 CA GLU A 34 -6.092 10.905 -1.507 1.00 0.00 C ATOM 541 C GLU A 34 -5.935 11.695 -2.808 1.00 0.00 C ATOM 542 O GLU A 34 -5.917 12.925 -2.793 1.00 0.00 O ATOM 543 CB GLU A 34 -4.881 10.002 -1.264 1.00 0.00 C ATOM 544 CG GLU A 34 -4.390 10.122 0.180 1.00 0.00 C ATOM 545 CD GLU A 34 -3.065 10.885 0.248 1.00 0.00 C ATOM 546 OE1 GLU A 34 -2.964 11.911 -0.459 1.00 0.00 O ATOM 547 OE2 GLU A 34 -2.183 10.424 1.004 1.00 0.00 O ATOM 0 H GLU A 34 -7.189 9.119 -1.562 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.148 11.612 -0.680 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.146 8.966 -1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.077 10.273 -1.949 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.140 10.635 0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.263 9.128 0.609 1.00 0.00 H new ATOM 554 N GLY A 35 -5.824 10.956 -3.902 1.00 0.00 N ATOM 555 CA GLY A 35 -5.669 11.573 -5.208 1.00 0.00 C ATOM 556 C GLY A 35 -4.481 10.970 -5.962 1.00 0.00 C ATOM 557 O GLY A 35 -4.265 11.274 -7.134 1.00 0.00 O ATOM 0 H GLY A 35 -5.838 9.936 -3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.581 11.436 -5.789 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.523 12.647 -5.092 1.00 0.00 H new ATOM 561 N ILE A 36 -3.742 10.125 -5.258 1.00 0.00 N ATOM 562 CA ILE A 36 -2.581 9.477 -5.845 1.00 0.00 C ATOM 563 C ILE A 36 -3.042 8.293 -6.697 1.00 0.00 C ATOM 564 O ILE A 36 -3.965 7.573 -6.320 1.00 0.00 O ATOM 565 CB ILE A 36 -1.574 9.097 -4.758 1.00 0.00 C ATOM 566 CG1 ILE A 36 -1.018 10.343 -4.067 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.462 8.214 -5.328 1.00 0.00 C ATOM 568 CD1 ILE A 36 -0.323 9.977 -2.753 1.00 0.00 C ATOM 0 H ILE A 36 -3.925 9.874 -4.286 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.055 10.163 -6.509 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.094 8.512 -3.999 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.312 10.846 -4.728 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.827 11.046 -3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.241 7.957 -4.536 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.896 7.302 -5.738 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.062 8.753 -6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.063 10.881 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.038 9.497 -2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.501 9.293 -2.956 1.00 0.00 H new ATOM 580 N PRO A 37 -2.359 8.124 -7.862 1.00 0.00 N ATOM 581 CA PRO A 37 -2.689 7.040 -8.772 1.00 0.00 C ATOM 582 C PRO A 37 -2.177 5.701 -8.236 1.00 0.00 C ATOM 583 O PRO A 37 -1.268 5.665 -7.409 1.00 0.00 O ATOM 584 CB PRO A 37 -2.055 7.431 -10.097 1.00 0.00 C ATOM 585 CG PRO A 37 -1.008 8.483 -9.763 1.00 0.00 C ATOM 586 CD PRO A 37 -1.261 8.957 -8.341 1.00 0.00 C ATOM 0 HA PRO A 37 -3.764 6.899 -8.887 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.600 6.567 -10.582 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.801 7.827 -10.785 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.005 8.066 -9.854 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.070 9.318 -10.461 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.373 8.837 -7.720 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.526 10.014 -8.317 1.00 0.00 H new ATOM 594 N PRO A 38 -2.798 4.603 -8.745 1.00 0.00 N ATOM 595 CA PRO A 38 -2.415 3.266 -8.327 1.00 0.00 C ATOM 596 C PRO A 38 -1.088 2.851 -8.966 1.00 0.00 C ATOM 597 O PRO A 38 -0.375 2.003 -8.430 1.00 0.00 O ATOM 598 CB PRO A 38 -3.576 2.376 -8.741 1.00 0.00 C ATOM 599 CG PRO A 38 -4.354 3.164 -9.784 1.00 0.00 C ATOM 600 CD PRO A 38 -3.878 4.607 -9.727 1.00 0.00 C ATOM 0 HA PRO A 38 -2.239 3.196 -7.254 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.217 1.432 -9.152 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.206 2.132 -7.885 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.191 2.747 -10.778 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.424 3.107 -9.586 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.526 4.947 -10.701 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.683 5.278 -9.427 1.00 0.00 H new ATOM 608 N ASP A 39 -0.795 3.468 -10.100 1.00 0.00 N ATOM 609 CA ASP A 39 0.434 3.175 -10.817 1.00 0.00 C ATOM 610 C ASP A 39 1.628 3.684 -10.005 1.00 0.00 C ATOM 611 O ASP A 39 2.690 3.066 -10.001 1.00 0.00 O ATOM 612 CB ASP A 39 0.458 3.870 -12.180 1.00 0.00 C ATOM 613 CG ASP A 39 0.281 2.942 -13.382 1.00 0.00 C ATOM 614 OD1 ASP A 39 0.240 1.714 -13.151 1.00 0.00 O ATOM 615 OD2 ASP A 39 0.193 3.481 -14.507 1.00 0.00 O ATOM 0 H ASP A 39 -1.388 4.171 -10.541 1.00 0.00 H new ATOM 0 HA ASP A 39 0.489 2.096 -10.962 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.331 4.622 -12.201 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.405 4.399 -12.285 1.00 0.00 H new ATOM 620 N GLN A 40 1.411 4.808 -9.337 1.00 0.00 N ATOM 621 CA GLN A 40 2.454 5.408 -8.524 1.00 0.00 C ATOM 622 C GLN A 40 2.307 4.972 -7.065 1.00 0.00 C ATOM 623 O GLN A 40 3.072 5.403 -6.204 1.00 0.00 O ATOM 624 CB GLN A 40 2.435 6.934 -8.645 1.00 0.00 C ATOM 625 CG GLN A 40 3.175 7.393 -9.903 1.00 0.00 C ATOM 626 CD GLN A 40 2.803 6.524 -11.105 1.00 0.00 C ATOM 627 OE1 GLN A 40 1.715 6.606 -11.651 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.764 5.689 -11.488 1.00 0.00 N ATOM 0 H GLN A 40 0.528 5.318 -9.343 1.00 0.00 H new ATOM 0 HA GLN A 40 3.419 5.059 -8.892 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.404 7.287 -8.676 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.898 7.378 -7.764 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.931 8.434 -10.113 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.251 7.345 -9.734 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.653 5.670 -10.988 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.613 5.067 -12.282 1.00 0.00 H new ATOM 637 N GLN A 41 1.317 4.123 -6.832 1.00 0.00 N ATOM 638 CA GLN A 41 1.059 3.623 -5.492 1.00 0.00 C ATOM 639 C GLN A 41 1.793 2.299 -5.268 1.00 0.00 C ATOM 640 O GLN A 41 1.744 1.408 -6.115 1.00 0.00 O ATOM 641 CB GLN A 41 -0.442 3.467 -5.244 1.00 0.00 C ATOM 642 CG GLN A 41 -0.826 3.990 -3.859 1.00 0.00 C ATOM 643 CD GLN A 41 -1.526 5.347 -3.960 1.00 0.00 C ATOM 644 OE1 GLN A 41 -1.188 6.301 -3.280 1.00 0.00 O ATOM 645 NE2 GLN A 41 -2.520 5.378 -4.844 1.00 0.00 N ATOM 0 H GLN A 41 0.684 3.768 -7.549 1.00 0.00 H new ATOM 0 HA GLN A 41 1.438 4.351 -4.775 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.999 4.009 -6.008 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.721 2.417 -5.330 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.483 3.274 -3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.067 4.083 -3.241 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.751 4.542 -5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.051 6.238 -4.985 1.00 0.00 H new ATOM 654 N ARG A 42 2.456 2.212 -4.125 1.00 0.00 N ATOM 655 CA ARG A 42 3.199 1.013 -3.780 1.00 0.00 C ATOM 656 C ARG A 42 2.906 0.603 -2.334 1.00 0.00 C ATOM 657 O ARG A 42 3.504 1.136 -1.401 1.00 0.00 O ATOM 658 CB ARG A 42 4.705 1.230 -3.945 1.00 0.00 C ATOM 659 CG ARG A 42 5.163 0.843 -5.353 1.00 0.00 C ATOM 660 CD ARG A 42 6.689 0.765 -5.431 1.00 0.00 C ATOM 661 NE ARG A 42 7.110 -0.621 -5.735 1.00 0.00 N ATOM 662 CZ ARG A 42 6.848 -1.249 -6.888 1.00 0.00 C ATOM 663 NH1 ARG A 42 6.164 -0.621 -7.854 1.00 0.00 N ATOM 664 NH2 ARG A 42 7.269 -2.508 -7.076 1.00 0.00 N ATOM 0 H ARG A 42 2.494 2.953 -3.425 1.00 0.00 H new ATOM 0 HA ARG A 42 2.881 0.221 -4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.949 2.275 -3.754 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.245 0.637 -3.207 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.732 -0.119 -5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.795 1.574 -6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.057 1.443 -6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.127 1.088 -4.486 1.00 0.00 H new ATOM 0 HE ARG A 42 7.632 -1.129 -5.022 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.842 0.336 -7.711 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.965 -1.100 -8.732 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.789 -2.987 -6.341 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.069 -2.987 -7.954 1.00 0.00 H new ATOM 678 N LEU A 43 1.984 -0.338 -2.195 1.00 0.00 N ATOM 679 CA LEU A 43 1.605 -0.825 -0.880 1.00 0.00 C ATOM 680 C LEU A 43 2.357 -2.123 -0.583 1.00 0.00 C ATOM 681 O LEU A 43 2.274 -3.081 -1.350 1.00 0.00 O ATOM 682 CB LEU A 43 0.083 -0.957 -0.777 1.00 0.00 C ATOM 683 CG LEU A 43 -0.733 -0.047 -1.695 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.218 -0.088 -1.330 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.180 1.379 -1.686 1.00 0.00 C ATOM 0 H LEU A 43 1.488 -0.776 -2.971 1.00 0.00 H new ATOM 0 HA LEU A 43 1.893 -0.108 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.187 -1.991 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.210 -0.757 0.254 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.642 -0.421 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.775 0.568 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.589 -1.108 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.349 0.247 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.779 2.006 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.220 1.778 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.854 1.371 -2.032 1.00 0.00 H new ATOM 697 N ILE A 44 3.073 -2.114 0.530 1.00 0.00 N ATOM 698 CA ILE A 44 3.841 -3.279 0.937 1.00 0.00 C ATOM 699 C ILE A 44 3.111 -3.991 2.079 1.00 0.00 C ATOM 700 O ILE A 44 2.569 -3.344 2.972 1.00 0.00 O ATOM 701 CB ILE A 44 5.277 -2.882 1.278 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.938 -2.150 0.109 1.00 0.00 C ATOM 703 CG2 ILE A 44 6.091 -4.099 1.726 1.00 0.00 C ATOM 704 CD1 ILE A 44 5.975 -0.641 0.357 1.00 0.00 C ATOM 0 H ILE A 44 3.138 -1.318 1.164 1.00 0.00 H new ATOM 0 HA ILE A 44 3.919 -3.990 0.115 1.00 0.00 H new ATOM 0 HB ILE A 44 5.248 -2.187 2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.952 -2.524 -0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.391 -2.358 -0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.109 -3.789 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.631 -4.539 2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.114 -4.837 0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.450 -0.145 -0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.958 -0.266 0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.543 -0.435 1.264 1.00 0.00 H new ATOM 716 N PHE A 45 3.122 -5.315 2.011 1.00 0.00 N ATOM 717 CA PHE A 45 2.468 -6.121 3.026 1.00 0.00 C ATOM 718 C PHE A 45 3.157 -7.480 3.175 1.00 0.00 C ATOM 719 O PHE A 45 3.291 -8.221 2.204 1.00 0.00 O ATOM 720 CB PHE A 45 1.027 -6.341 2.565 1.00 0.00 C ATOM 721 CG PHE A 45 0.032 -6.552 3.707 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.347 -7.377 4.740 1.00 0.00 C ATOM 723 CD2 PHE A 45 -1.168 -5.911 3.690 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.576 -7.572 5.801 1.00 0.00 C ATOM 725 CE2 PHE A 45 -2.092 -6.106 4.750 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.776 -6.932 5.784 1.00 0.00 C ATOM 0 H PHE A 45 3.574 -5.849 1.268 1.00 0.00 H new ATOM 0 HA PHE A 45 2.513 -5.613 3.989 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.710 -5.481 1.975 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.996 -7.208 1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.300 -7.885 4.754 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.418 -5.254 2.870 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.325 -8.228 6.621 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.045 -5.599 4.736 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.478 -7.079 6.591 1.00 0.00 H new ATOM 736 N ALA A 46 3.576 -7.764 4.399 1.00 0.00 N ATOM 737 CA ALA A 46 4.248 -9.020 4.688 1.00 0.00 C ATOM 738 C ALA A 46 5.524 -9.115 3.849 1.00 0.00 C ATOM 739 O ALA A 46 6.080 -10.199 3.679 1.00 0.00 O ATOM 740 CB ALA A 46 3.290 -10.183 4.425 1.00 0.00 C ATOM 0 H ALA A 46 3.463 -7.146 5.203 1.00 0.00 H new ATOM 0 HA ALA A 46 4.539 -9.068 5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.793 -11.125 4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.414 -10.084 5.065 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.979 -10.169 3.380 1.00 0.00 H new ATOM 746 N GLY A 47 5.951 -7.965 3.347 1.00 0.00 N ATOM 747 CA GLY A 47 7.151 -7.906 2.529 1.00 0.00 C ATOM 748 C GLY A 47 6.816 -8.095 1.048 1.00 0.00 C ATOM 749 O GLY A 47 7.685 -7.958 0.189 1.00 0.00 O ATOM 0 H GLY A 47 5.488 -7.068 3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.647 -6.946 2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.851 -8.678 2.848 1.00 0.00 H new ATOM 753 N LYS A 48 5.554 -8.408 0.795 1.00 0.00 N ATOM 754 CA LYS A 48 5.093 -8.619 -0.567 1.00 0.00 C ATOM 755 C LYS A 48 4.293 -7.397 -1.024 1.00 0.00 C ATOM 756 O LYS A 48 3.505 -6.845 -0.258 1.00 0.00 O ATOM 757 CB LYS A 48 4.322 -9.935 -0.674 1.00 0.00 C ATOM 758 CG LYS A 48 4.128 -10.340 -2.137 1.00 0.00 C ATOM 759 CD LYS A 48 4.016 -11.859 -2.276 1.00 0.00 C ATOM 760 CE LYS A 48 3.268 -12.239 -3.555 1.00 0.00 C ATOM 761 NZ LYS A 48 2.142 -13.149 -3.246 1.00 0.00 N ATOM 0 H LYS A 48 4.836 -8.521 1.510 1.00 0.00 H new ATOM 0 HA LYS A 48 5.940 -8.718 -1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.861 -10.720 -0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.351 -9.832 -0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.229 -9.868 -2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.966 -9.978 -2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.012 -12.301 -2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.496 -12.270 -1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.893 -11.340 -4.045 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.952 -12.721 -4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.645 -13.397 -4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.507 -14.014 -2.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.482 -12.676 -2.597 1.00 0.00 H new ATOM 775 N GLN A 49 4.523 -7.012 -2.270 1.00 0.00 N ATOM 776 CA GLN A 49 3.833 -5.867 -2.839 1.00 0.00 C ATOM 777 C GLN A 49 2.443 -6.275 -3.332 1.00 0.00 C ATOM 778 O GLN A 49 2.288 -7.313 -3.973 1.00 0.00 O ATOM 779 CB GLN A 49 4.653 -5.238 -3.968 1.00 0.00 C ATOM 780 CG GLN A 49 4.810 -6.211 -5.139 1.00 0.00 C ATOM 781 CD GLN A 49 6.184 -6.062 -5.794 1.00 0.00 C ATOM 782 OE1 GLN A 49 7.219 -6.164 -5.156 1.00 0.00 O ATOM 783 NE2 GLN A 49 6.138 -5.816 -7.100 1.00 0.00 N ATOM 0 H GLN A 49 5.178 -7.473 -2.902 1.00 0.00 H new ATOM 0 HA GLN A 49 3.714 -5.115 -2.059 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.166 -4.325 -4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.636 -4.953 -3.593 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.680 -7.234 -4.786 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.029 -6.027 -5.877 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.238 -5.743 -7.574 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.003 -5.701 -7.628 1.00 0.00 H new ATOM 792 N LEU A 50 1.469 -5.436 -3.014 1.00 0.00 N ATOM 793 CA LEU A 50 0.097 -5.696 -3.416 1.00 0.00 C ATOM 794 C LEU A 50 -0.037 -5.483 -4.926 1.00 0.00 C ATOM 795 O LEU A 50 0.038 -4.353 -5.405 1.00 0.00 O ATOM 796 CB LEU A 50 -0.874 -4.852 -2.588 1.00 0.00 C ATOM 797 CG LEU A 50 -0.545 -4.718 -1.100 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.590 -3.862 -0.381 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.384 -6.092 -0.447 1.00 0.00 C ATOM 0 H LEU A 50 1.602 -4.576 -2.483 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.168 -6.734 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.917 -3.853 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.871 -5.283 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 50 0.412 -4.203 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.332 -3.783 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.612 -2.866 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.571 -4.326 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.151 -5.967 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.312 -6.655 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.425 -6.635 -0.936 1.00 0.00 H new ATOM 811 N GLU A 51 -0.233 -6.587 -5.632 1.00 0.00 N ATOM 812 CA GLU A 51 -0.378 -6.534 -7.077 1.00 0.00 C ATOM 813 C GLU A 51 -1.845 -6.326 -7.456 1.00 0.00 C ATOM 814 O GLU A 51 -2.694 -7.163 -7.154 1.00 0.00 O ATOM 815 CB GLU A 51 0.182 -7.800 -7.730 1.00 0.00 C ATOM 816 CG GLU A 51 1.619 -8.062 -7.274 1.00 0.00 C ATOM 817 CD GLU A 51 1.884 -9.562 -7.132 1.00 0.00 C ATOM 818 OE1 GLU A 51 1.465 -10.302 -8.048 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.499 -9.935 -6.109 1.00 0.00 O ATOM 0 H GLU A 51 -0.295 -7.523 -5.231 1.00 0.00 H new ATOM 0 HA GLU A 51 0.197 -5.686 -7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.446 -8.654 -7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.154 -7.697 -8.815 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.317 -7.632 -7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.798 -7.566 -6.320 1.00 0.00 H new ATOM 826 N ASP A 52 -2.099 -5.202 -8.112 1.00 0.00 N ATOM 827 CA ASP A 52 -3.449 -4.872 -8.536 1.00 0.00 C ATOM 828 C ASP A 52 -4.079 -6.091 -9.214 1.00 0.00 C ATOM 829 O ASP A 52 -3.747 -6.411 -10.355 1.00 0.00 O ATOM 830 CB ASP A 52 -3.444 -3.720 -9.543 1.00 0.00 C ATOM 831 CG ASP A 52 -3.500 -2.321 -8.924 1.00 0.00 C ATOM 832 OD1 ASP A 52 -3.710 -2.252 -7.695 1.00 0.00 O ATOM 833 OD2 ASP A 52 -3.330 -1.353 -9.697 1.00 0.00 O ATOM 0 H ASP A 52 -1.393 -4.509 -8.360 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.017 -4.577 -7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.545 -3.795 -10.154 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.295 -3.839 -10.213 1.00 0.00 H new ATOM 838 N GLY A 53 -4.976 -6.737 -8.485 1.00 0.00 N ATOM 839 CA GLY A 53 -5.654 -7.913 -9.002 1.00 0.00 C ATOM 840 C GLY A 53 -5.861 -8.955 -7.901 1.00 0.00 C ATOM 841 O GLY A 53 -6.637 -9.895 -8.068 1.00 0.00 O ATOM 0 H GLY A 53 -5.249 -6.468 -7.540 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.618 -7.626 -9.422 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.069 -8.347 -9.813 1.00 0.00 H new ATOM 845 N ARG A 54 -5.154 -8.753 -6.798 1.00 0.00 N ATOM 846 CA ARG A 54 -5.250 -9.664 -5.670 1.00 0.00 C ATOM 847 C ARG A 54 -6.236 -9.122 -4.634 1.00 0.00 C ATOM 848 O ARG A 54 -6.342 -7.911 -4.446 1.00 0.00 O ATOM 849 CB ARG A 54 -3.886 -9.867 -5.009 1.00 0.00 C ATOM 850 CG ARG A 54 -3.045 -10.882 -5.788 1.00 0.00 C ATOM 851 CD ARG A 54 -2.798 -12.142 -4.957 1.00 0.00 C ATOM 852 NE ARG A 54 -1.663 -12.906 -5.521 1.00 0.00 N ATOM 853 CZ ARG A 54 -1.717 -13.594 -6.669 1.00 0.00 C ATOM 854 NH1 ARG A 54 -2.851 -13.620 -7.382 1.00 0.00 N ATOM 855 NH2 ARG A 54 -0.637 -14.258 -7.103 1.00 0.00 N ATOM 0 H ARG A 54 -4.512 -7.972 -6.662 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.604 -10.623 -6.047 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.358 -8.915 -4.957 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.022 -10.212 -3.984 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.555 -11.147 -6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.092 -10.433 -6.066 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.586 -11.870 -3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.695 -12.762 -4.946 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.784 -12.909 -5.003 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.673 -13.116 -7.051 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.892 -14.144 -8.256 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.226 -14.239 -6.559 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.678 -14.782 -7.977 1.00 0.00 H new ATOM 869 N THR A 55 -6.933 -10.045 -3.987 1.00 0.00 N ATOM 870 CA THR A 55 -7.907 -9.675 -2.974 1.00 0.00 C ATOM 871 C THR A 55 -7.246 -9.616 -1.595 1.00 0.00 C ATOM 872 O THR A 55 -6.265 -10.315 -1.343 1.00 0.00 O ATOM 873 CB THR A 55 -9.067 -10.668 -3.049 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.437 -11.921 -3.305 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.955 -10.440 -4.275 1.00 0.00 C ATOM 0 H THR A 55 -6.842 -11.049 -4.145 1.00 0.00 H new ATOM 0 HA THR A 55 -8.304 -8.676 -3.153 1.00 0.00 H new ATOM 0 HB THR A 55 -9.670 -10.590 -2.144 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.118 -12.623 -3.367 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.763 -11.172 -4.280 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.376 -9.435 -4.238 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.360 -10.551 -5.181 1.00 0.00 H new ATOM 883 N LEU A 56 -7.809 -8.776 -0.740 1.00 0.00 N ATOM 884 CA LEU A 56 -7.286 -8.617 0.607 1.00 0.00 C ATOM 885 C LEU A 56 -7.364 -9.957 1.341 1.00 0.00 C ATOM 886 O LEU A 56 -6.441 -10.326 2.065 1.00 0.00 O ATOM 887 CB LEU A 56 -8.007 -7.478 1.329 1.00 0.00 C ATOM 888 CG LEU A 56 -7.816 -6.080 0.736 1.00 0.00 C ATOM 889 CD1 LEU A 56 -8.910 -5.125 1.218 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.414 -5.544 1.035 1.00 0.00 C ATOM 0 H LEU A 56 -8.622 -8.198 -0.953 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.235 -8.330 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.074 -7.702 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.670 -7.460 2.365 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.908 -6.154 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.750 -4.139 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.885 -5.504 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.875 -5.051 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.305 -4.549 0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.268 -5.489 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.669 -6.212 0.602 1.00 0.00 H new ATOM 902 N SER A 57 -8.474 -10.649 1.127 1.00 0.00 N ATOM 903 CA SER A 57 -8.684 -11.940 1.760 1.00 0.00 C ATOM 904 C SER A 57 -7.612 -12.930 1.297 1.00 0.00 C ATOM 905 O SER A 57 -7.174 -13.782 2.069 1.00 0.00 O ATOM 906 CB SER A 57 -10.079 -12.485 1.451 1.00 0.00 C ATOM 907 OG SER A 57 -10.414 -13.596 2.276 1.00 0.00 O ATOM 0 H SER A 57 -9.237 -10.340 0.524 1.00 0.00 H new ATOM 0 HA SER A 57 -8.607 -11.808 2.839 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.816 -11.694 1.591 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.127 -12.784 0.404 1.00 0.00 H new ATOM 0 HG SER A 57 -11.313 -13.913 2.048 1.00 0.00 H new ATOM 913 N ASP A 58 -7.222 -12.784 0.040 1.00 0.00 N ATOM 914 CA ASP A 58 -6.211 -13.655 -0.535 1.00 0.00 C ATOM 915 C ASP A 58 -4.883 -13.439 0.196 1.00 0.00 C ATOM 916 O ASP A 58 -4.001 -14.295 0.151 1.00 0.00 O ATOM 917 CB ASP A 58 -5.991 -13.340 -2.016 1.00 0.00 C ATOM 918 CG ASP A 58 -6.368 -14.467 -2.979 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.981 -15.444 -2.498 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.037 -14.326 -4.177 1.00 0.00 O ATOM 0 H ASP A 58 -7.587 -12.076 -0.597 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.554 -14.684 -0.432 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.570 -12.453 -2.273 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.941 -13.090 -2.167 1.00 0.00 H new ATOM 925 N TYR A 59 -4.785 -12.293 0.852 1.00 0.00 N ATOM 926 CA TYR A 59 -3.580 -11.955 1.592 1.00 0.00 C ATOM 927 C TYR A 59 -3.750 -12.258 3.083 1.00 0.00 C ATOM 928 O TYR A 59 -2.817 -12.081 3.865 1.00 0.00 O ATOM 929 CB TYR A 59 -3.382 -10.449 1.409 1.00 0.00 C ATOM 930 CG TYR A 59 -2.837 -10.056 0.034 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.576 -10.465 -0.350 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.606 -9.293 -0.820 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.063 -10.095 -1.644 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.092 -8.923 -2.113 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.846 -9.342 -2.462 1.00 0.00 C ATOM 936 OH TYR A 59 -1.363 -8.993 -3.684 1.00 0.00 O ATOM 0 H TYR A 59 -5.520 -11.586 0.887 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.731 -12.535 1.230 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.336 -9.945 1.568 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.698 -10.087 2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.974 -11.062 0.319 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.593 -8.973 -0.519 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.078 -10.409 -1.958 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.683 -8.326 -2.791 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.018 -9.789 -4.139 1.00 0.00 H new ATOM 946 N ASN A 60 -4.945 -12.711 3.429 1.00 0.00 N ATOM 947 CA ASN A 60 -5.248 -13.039 4.812 1.00 0.00 C ATOM 948 C ASN A 60 -4.953 -11.827 5.697 1.00 0.00 C ATOM 949 O ASN A 60 -4.258 -11.945 6.704 1.00 0.00 O ATOM 950 CB ASN A 60 -4.386 -14.204 5.302 1.00 0.00 C ATOM 951 CG ASN A 60 -4.861 -14.701 6.670 1.00 0.00 C ATOM 952 OD1 ASN A 60 -5.810 -14.196 7.246 1.00 0.00 O ATOM 953 ND2 ASN A 60 -4.149 -15.715 7.155 1.00 0.00 N ATOM 0 H ASN A 60 -5.715 -12.859 2.777 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.300 -13.319 4.869 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.427 -15.020 4.580 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.345 -13.888 5.367 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.386 -16.117 8.062 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.366 -16.090 6.620 1.00 0.00 H new ATOM 960 N ILE A 61 -5.497 -10.691 5.289 1.00 0.00 N ATOM 961 CA ILE A 61 -5.301 -9.458 6.032 1.00 0.00 C ATOM 962 C ILE A 61 -6.233 -9.445 7.245 1.00 0.00 C ATOM 963 O ILE A 61 -7.357 -9.940 7.174 1.00 0.00 O ATOM 964 CB ILE A 61 -5.470 -8.245 5.113 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.389 -8.222 4.032 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.502 -6.946 5.920 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.695 -7.160 2.974 1.00 0.00 C ATOM 0 H ILE A 61 -6.074 -10.598 4.453 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.281 -9.401 6.412 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.431 -8.332 4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.419 -8.019 4.486 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.321 -9.202 3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.623 -6.100 5.243 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.337 -6.973 6.620 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.569 -6.838 6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.911 -7.164 2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.654 -7.380 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.738 -6.178 3.446 1.00 0.00 H new ATOM 979 N GLN A 62 -5.731 -8.873 8.331 1.00 0.00 N ATOM 980 CA GLN A 62 -6.505 -8.790 9.558 1.00 0.00 C ATOM 981 C GLN A 62 -7.007 -7.360 9.772 1.00 0.00 C ATOM 982 O GLN A 62 -6.385 -6.405 9.310 1.00 0.00 O ATOM 983 CB GLN A 62 -5.684 -9.269 10.757 1.00 0.00 C ATOM 984 CG GLN A 62 -4.191 -9.021 10.534 1.00 0.00 C ATOM 985 CD GLN A 62 -3.405 -9.205 11.833 1.00 0.00 C ATOM 986 OE1 GLN A 62 -3.696 -10.066 12.648 1.00 0.00 O ATOM 987 NE2 GLN A 62 -2.395 -8.353 11.980 1.00 0.00 N ATOM 0 H GLN A 62 -4.799 -8.463 8.386 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.369 -9.448 9.466 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.012 -8.750 11.657 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.859 -10.332 10.921 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.814 -9.708 9.776 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.039 -8.011 10.153 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.206 -7.657 11.259 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.809 -8.396 12.814 1.00 0.00 H new ATOM 996 N LYS A 63 -8.126 -7.260 10.473 1.00 0.00 N ATOM 997 CA LYS A 63 -8.718 -5.963 10.755 1.00 0.00 C ATOM 998 C LYS A 63 -7.649 -5.032 11.331 1.00 0.00 C ATOM 999 O LYS A 63 -6.752 -5.479 12.045 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.947 -6.119 11.654 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.536 -6.432 13.095 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.348 -7.602 13.654 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.539 -8.384 14.690 1.00 0.00 C ATOM 1004 NZ LYS A 63 -10.284 -9.586 15.129 1.00 0.00 N ATOM 0 H LYS A 63 -8.639 -8.055 10.854 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.080 -5.502 9.836 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.537 -5.203 11.631 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.583 -6.918 11.272 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.473 -6.672 13.130 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.684 -5.551 13.719 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.265 -7.228 14.110 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.643 -8.266 12.841 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.580 -8.679 14.264 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.325 -7.748 15.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.721 -10.106 15.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.188 -9.298 15.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.467 -10.200 14.310 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.779 -3.756 10.999 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.836 -2.760 11.474 1.00 0.00 C ATOM 1020 C GLU A 64 -5.405 -3.172 11.119 1.00 0.00 C ATOM 1021 O GLU A 64 -4.504 -3.078 11.952 1.00 0.00 O ATOM 1022 CB GLU A 64 -6.985 -2.537 12.980 1.00 0.00 C ATOM 1023 CG GLU A 64 -6.133 -1.355 13.447 1.00 0.00 C ATOM 1024 CD GLU A 64 -6.593 -0.854 14.817 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -6.426 -1.624 15.788 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -7.101 0.287 14.864 1.00 0.00 O ATOM 0 H GLU A 64 -8.524 -3.390 10.406 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.055 -1.815 10.977 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.032 -2.353 13.222 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.687 -3.438 13.516 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.086 -1.655 13.498 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.198 -0.546 12.720 1.00 0.00 H new ATOM 1033 N SER A 65 -5.241 -3.620 9.883 1.00 0.00 N ATOM 1034 CA SER A 65 -3.936 -4.047 9.408 1.00 0.00 C ATOM 1035 C SER A 65 -3.056 -2.827 9.132 1.00 0.00 C ATOM 1036 O SER A 65 -3.561 -1.753 8.808 1.00 0.00 O ATOM 1037 CB SER A 65 -4.063 -4.908 8.150 1.00 0.00 C ATOM 1038 OG SER A 65 -5.027 -4.385 7.240 1.00 0.00 O ATOM 0 H SER A 65 -5.991 -3.697 9.196 1.00 0.00 H new ATOM 0 HA SER A 65 -3.470 -4.654 10.184 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.094 -4.971 7.655 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.344 -5.923 8.432 1.00 0.00 H new ATOM 0 HG SER A 65 -5.086 -3.413 7.349 1.00 0.00 H new ATOM 1044 N THR A 66 -1.754 -3.033 9.267 1.00 0.00 N ATOM 1045 CA THR A 66 -0.798 -1.964 9.036 1.00 0.00 C ATOM 1046 C THR A 66 -0.125 -2.137 7.673 1.00 0.00 C ATOM 1047 O THR A 66 0.701 -3.031 7.493 1.00 0.00 O ATOM 1048 CB THR A 66 0.189 -1.951 10.204 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.533 -1.325 11.262 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.375 -1.016 9.958 1.00 0.00 C ATOM 0 H THR A 66 -1.339 -3.926 9.534 1.00 0.00 H new ATOM 0 HA THR A 66 -1.292 -0.993 8.999 1.00 0.00 H new ATOM 0 HB THR A 66 0.555 -2.962 10.381 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.033 -1.277 12.061 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.045 -1.044 10.817 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.914 -1.338 9.067 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.012 0.002 9.814 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.502 -1.266 6.748 1.00 0.00 N ATOM 1059 CA LEU A 67 0.055 -1.311 5.406 1.00 0.00 C ATOM 1060 C LEU A 67 0.980 -0.110 5.203 1.00 0.00 C ATOM 1061 O LEU A 67 0.776 0.944 5.804 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.062 -1.410 4.366 1.00 0.00 C ATOM 1063 CG LEU A 67 -1.821 -2.738 4.320 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -2.899 -2.790 5.404 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.397 -2.993 2.926 1.00 0.00 C ATOM 0 H LEU A 67 -1.186 -0.525 6.901 1.00 0.00 H new ATOM 0 HA LEU A 67 0.662 -2.207 5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.779 -0.611 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.632 -1.226 3.381 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.115 -3.542 4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.424 -3.744 5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.434 -2.687 6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.608 -1.977 5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.931 -3.943 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.084 -2.189 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.586 -3.029 2.198 1.00 0.00 H new ATOM 1077 N HIS A 68 1.977 -0.309 4.355 1.00 0.00 N ATOM 1078 CA HIS A 68 2.936 0.745 4.065 1.00 0.00 C ATOM 1079 C HIS A 68 2.684 1.295 2.659 1.00 0.00 C ATOM 1080 O HIS A 68 2.938 0.613 1.666 1.00 0.00 O ATOM 1081 CB HIS A 68 4.368 0.245 4.257 1.00 0.00 C ATOM 1082 CG HIS A 68 5.326 1.301 4.753 1.00 0.00 C ATOM 1083 ND1 HIS A 68 6.303 1.044 5.699 1.00 0.00 N ATOM 1084 CD2 HIS A 68 5.449 2.619 4.422 1.00 0.00 C ATOM 1085 CE1 HIS A 68 6.975 2.163 5.922 1.00 0.00 C ATOM 1086 NE2 HIS A 68 6.443 3.139 5.130 1.00 0.00 N ATOM 0 H HIS A 68 2.143 -1.184 3.859 1.00 0.00 H new ATOM 0 HA HIS A 68 2.803 1.566 4.769 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.360 -0.585 4.964 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.735 -0.147 3.309 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.840 3.149 3.705 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.799 2.282 6.610 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.758 4.108 5.089 1.00 0.00 H new ATOM 1094 N LEU A 69 2.186 2.522 2.619 1.00 0.00 N ATOM 1095 CA LEU A 69 1.897 3.171 1.351 1.00 0.00 C ATOM 1096 C LEU A 69 3.090 4.037 0.942 1.00 0.00 C ATOM 1097 O LEU A 69 3.289 5.124 1.484 1.00 0.00 O ATOM 1098 CB LEU A 69 0.578 3.942 1.433 1.00 0.00 C ATOM 1099 CG LEU A 69 0.506 5.237 0.622 1.00 0.00 C ATOM 1100 CD1 LEU A 69 1.033 5.023 -0.799 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -0.913 5.809 0.627 1.00 0.00 C ATOM 0 H LEU A 69 1.975 3.084 3.444 1.00 0.00 H new ATOM 0 HA LEU A 69 1.758 2.428 0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.225 3.284 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.384 4.180 2.479 1.00 0.00 H new ATOM 0 HG LEU A 69 1.152 5.975 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.971 5.959 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.071 4.694 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.432 4.263 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.936 6.729 0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.599 5.084 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.216 6.022 1.652 1.00 0.00 H new ATOM 1113 N VAL A 70 3.854 3.523 -0.009 1.00 0.00 N ATOM 1114 CA VAL A 70 5.023 4.235 -0.498 1.00 0.00 C ATOM 1115 C VAL A 70 4.796 4.641 -1.955 1.00 0.00 C ATOM 1116 O VAL A 70 4.047 3.985 -2.677 1.00 0.00 O ATOM 1117 CB VAL A 70 6.276 3.380 -0.303 1.00 0.00 C ATOM 1118 CG1 VAL A 70 6.490 2.443 -1.494 1.00 0.00 C ATOM 1119 CG2 VAL A 70 7.508 4.256 -0.067 1.00 0.00 C ATOM 0 H VAL A 70 3.687 2.621 -0.455 1.00 0.00 H new ATOM 0 HA VAL A 70 5.179 5.150 0.073 1.00 0.00 H new ATOM 0 HB VAL A 70 6.127 2.766 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.387 1.846 -1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.629 1.783 -1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.607 3.032 -2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.384 3.622 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.661 4.908 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.357 4.863 0.826 1.00 0.00 H new ATOM 1129 N LEU A 71 5.457 5.722 -2.346 1.00 0.00 N ATOM 1130 CA LEU A 71 5.336 6.224 -3.703 1.00 0.00 C ATOM 1131 C LEU A 71 6.357 5.516 -4.596 1.00 0.00 C ATOM 1132 O LEU A 71 7.226 4.798 -4.103 1.00 0.00 O ATOM 1133 CB LEU A 71 5.453 7.748 -3.724 1.00 0.00 C ATOM 1134 CG LEU A 71 4.136 8.523 -3.633 1.00 0.00 C ATOM 1135 CD1 LEU A 71 4.290 9.764 -2.751 1.00 0.00 C ATOM 1136 CD2 LEU A 71 3.608 8.873 -5.025 1.00 0.00 C ATOM 0 H LEU A 71 6.078 6.264 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 71 4.348 5.999 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.090 8.055 -2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.961 8.041 -4.643 1.00 0.00 H new ATOM 0 HG LEU A 71 3.394 7.880 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.340 10.297 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.588 9.462 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.052 10.419 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.672 9.423 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.340 9.489 -5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.435 7.957 -5.590 1.00 0.00 H new ATOM 1148 N ARG A 72 6.220 5.743 -5.894 1.00 0.00 N ATOM 1149 CA ARG A 72 7.120 5.137 -6.860 1.00 0.00 C ATOM 1150 C ARG A 72 8.392 5.975 -6.999 1.00 0.00 C ATOM 1151 O ARG A 72 8.485 7.067 -6.439 1.00 0.00 O ATOM 1152 CB ARG A 72 6.451 5.005 -8.230 1.00 0.00 C ATOM 1153 CG ARG A 72 6.070 3.552 -8.516 1.00 0.00 C ATOM 1154 CD ARG A 72 6.881 2.993 -9.687 1.00 0.00 C ATOM 1155 NE ARG A 72 6.115 3.132 -10.946 1.00 0.00 N ATOM 1156 CZ ARG A 72 6.512 2.638 -12.126 1.00 0.00 C ATOM 1157 NH1 ARG A 72 7.671 1.970 -12.217 1.00 0.00 N ATOM 1158 NH2 ARG A 72 5.753 2.813 -13.216 1.00 0.00 N ATOM 0 H ARG A 72 5.498 6.339 -6.300 1.00 0.00 H new ATOM 0 HA ARG A 72 7.375 4.142 -6.496 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.560 5.632 -8.266 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.127 5.367 -9.005 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.242 2.945 -7.627 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.006 3.489 -8.743 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.830 3.523 -9.769 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.116 1.944 -9.509 1.00 0.00 H new ATOM 0 HE ARG A 72 5.229 3.636 -10.913 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.250 1.838 -11.388 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.974 1.594 -13.115 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.872 3.323 -13.148 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.056 2.437 -14.114 1.00 0.00 H new ATOM 1172 N LEU A 73 9.340 5.435 -7.750 1.00 0.00 N ATOM 1173 CA LEU A 73 10.602 6.120 -7.971 1.00 0.00 C ATOM 1174 C LEU A 73 10.411 7.200 -9.037 1.00 0.00 C ATOM 1175 O LEU A 73 10.618 8.384 -8.770 1.00 0.00 O ATOM 1176 CB LEU A 73 11.706 5.115 -8.304 1.00 0.00 C ATOM 1177 CG LEU A 73 12.347 4.401 -7.112 1.00 0.00 C ATOM 1178 CD1 LEU A 73 11.978 2.917 -7.097 1.00 0.00 C ATOM 1179 CD2 LEU A 73 13.863 4.616 -7.095 1.00 0.00 C ATOM 0 H LEU A 73 9.259 4.530 -8.214 1.00 0.00 H new ATOM 0 HA LEU A 73 10.926 6.624 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.293 4.361 -8.974 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.490 5.636 -8.854 1.00 0.00 H new ATOM 0 HG LEU A 73 11.949 4.840 -6.197 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.447 2.434 -6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.895 2.812 -7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.328 2.446 -8.015 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.294 4.098 -6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.297 4.221 -8.014 1.00 0.00 H new ATOM 0 HD23 LEU A 73 14.079 5.682 -7.021 1.00 0.00 H new ATOM 1191 N ARG A 74 10.021 6.756 -10.221 1.00 0.00 N ATOM 1192 CA ARG A 74 9.799 7.670 -11.328 1.00 0.00 C ATOM 1193 C ARG A 74 8.347 8.149 -11.340 1.00 0.00 C ATOM 1194 O ARG A 74 7.692 8.182 -10.299 1.00 0.00 O ATOM 1195 CB ARG A 74 10.120 7.001 -12.667 1.00 0.00 C ATOM 1196 CG ARG A 74 10.955 7.925 -13.556 1.00 0.00 C ATOM 1197 CD ARG A 74 10.214 8.255 -14.853 1.00 0.00 C ATOM 1198 NE ARG A 74 11.184 8.441 -15.956 1.00 0.00 N ATOM 1199 CZ ARG A 74 12.036 9.472 -16.042 1.00 0.00 C ATOM 1200 NH1 ARG A 74 12.043 10.416 -15.091 1.00 0.00 N ATOM 1201 NH2 ARG A 74 12.880 9.558 -17.079 1.00 0.00 N ATOM 0 H ARG A 74 9.853 5.774 -10.439 1.00 0.00 H new ATOM 0 HA ARG A 74 10.464 8.523 -11.192 1.00 0.00 H new ATOM 0 HB2 ARG A 74 10.662 6.071 -12.492 1.00 0.00 H new ATOM 0 HB3 ARG A 74 9.194 6.739 -13.178 1.00 0.00 H new ATOM 0 HG2 ARG A 74 11.182 8.846 -13.018 1.00 0.00 H new ATOM 0 HG3 ARG A 74 11.908 7.449 -13.788 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.520 7.452 -15.100 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.621 9.160 -14.723 1.00 0.00 H new ATOM 0 HE ARG A 74 11.205 7.740 -16.697 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.400 10.350 -14.302 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.691 11.201 -15.156 1.00 0.00 H new ATOM 0 HH21 ARG A 74 12.874 8.839 -17.803 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.529 10.342 -17.145 1.00 0.00 H new ATOM 1215 N GLY A 75 7.884 8.508 -12.528 1.00 0.00 N ATOM 1216 CA GLY A 75 6.521 8.984 -12.689 1.00 0.00 C ATOM 1217 C GLY A 75 5.801 8.221 -13.803 1.00 0.00 C ATOM 1218 O GLY A 75 6.368 7.306 -14.399 1.00 0.00 O ATOM 0 H GLY A 75 8.429 8.479 -13.389 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.977 8.865 -11.752 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.529 10.049 -12.920 1.00 0.00 H new ATOM 1222 N GLY A 76 4.564 8.625 -14.050 1.00 0.00 N ATOM 1223 CA GLY A 76 3.762 7.992 -15.082 1.00 0.00 C ATOM 1224 C GLY A 76 2.634 8.916 -15.545 1.00 0.00 C ATOM 1225 O GLY A 76 1.459 8.625 -15.331 1.00 0.00 O ATOM 0 H GLY A 76 4.097 9.384 -13.553 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.395 7.732 -15.930 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.341 7.062 -14.701 1.00 0.00 H new TER 1229 GLY A 76