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 -129:sc= -0.0127 (180deg=-0.267) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.301 (180deg=-0.365!) USER MOD Single : A 2 GLN : amide:sc= -0.608 X(o=-0.61,f=-0.58) USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.038) USER MOD Single : A 7 THR OG1 : rot 124:sc= -1.16 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 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 -115:sc= 0.298 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.661 USER MOD Single : A 25 ASN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0.0259 (180deg=0.0193) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0331 K(o=-0.033,f=-0.65) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00966 X(o=-0.0097,f=0) USER MOD Single : A 41 GLN : amide:sc= -3.5 K(o=-3.5,f=-9.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0792 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 33:sc= -0.114 USER MOD Single : A 60 ASN : amide:sc= -0.031 X(o=-0.031,f=-0.21) USER MOD Single : A 62 GLN : amide:sc= -0.0194 K(o=-0.019,f=-1.4) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 89:sc= 1 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 -13.109 -5.474 5.405 1.00 0.00 N ATOM 2 CA MET A 1 -12.878 -4.849 6.696 1.00 0.00 C ATOM 3 C MET A 1 -12.052 -3.570 6.545 1.00 0.00 C ATOM 4 O MET A 1 -11.707 -3.177 5.433 1.00 0.00 O ATOM 5 CB MET A 1 -12.143 -5.827 7.614 1.00 0.00 C ATOM 6 CG MET A 1 -10.823 -6.280 6.986 1.00 0.00 C ATOM 7 SD MET A 1 -10.202 -7.718 7.843 1.00 0.00 S ATOM 8 CE MET A 1 -11.248 -8.978 7.130 1.00 0.00 C ATOM 0 H1 MET A 1 -13.536 -6.412 5.545 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.752 -4.881 4.842 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.204 -5.577 4.902 1.00 0.00 H new ATOM 0 HA MET A 1 -13.843 -4.587 7.130 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.949 -5.353 8.576 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.774 -6.694 7.808 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.973 -6.511 5.931 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.092 -5.473 7.035 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.702 -9.568 7.926 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.031 -8.507 6.536 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.650 -9.629 6.492 1.00 0.00 H new ATOM 18 N GLN A 2 -11.757 -2.955 7.682 1.00 0.00 N ATOM 19 CA GLN A 2 -10.978 -1.729 7.690 1.00 0.00 C ATOM 20 C GLN A 2 -9.491 -2.048 7.861 1.00 0.00 C ATOM 21 O GLN A 2 -9.133 -3.070 8.443 1.00 0.00 O ATOM 22 CB GLN A 2 -11.463 -0.779 8.786 1.00 0.00 C ATOM 23 CG GLN A 2 -10.707 0.550 8.733 1.00 0.00 C ATOM 24 CD GLN A 2 -11.578 1.698 9.248 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.852 1.821 10.431 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.995 2.529 8.298 1.00 0.00 N ATOM 0 H GLN A 2 -12.044 -3.284 8.604 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.116 -1.227 6.732 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.532 -0.599 8.669 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.323 -1.243 9.762 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.799 0.480 9.333 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.397 0.755 7.708 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.729 2.368 7.327 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.581 3.328 8.540 1.00 0.00 H new ATOM 35 N ILE A 3 -8.664 -1.153 7.341 1.00 0.00 N ATOM 36 CA ILE A 3 -7.223 -1.325 7.428 1.00 0.00 C ATOM 37 C ILE A 3 -6.562 0.041 7.621 1.00 0.00 C ATOM 38 O ILE A 3 -7.171 1.074 7.347 1.00 0.00 O ATOM 39 CB ILE A 3 -6.702 -2.095 6.213 1.00 0.00 C ATOM 40 CG1 ILE A 3 -7.124 -1.415 4.910 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.140 -3.560 6.263 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.930 -0.746 4.228 1.00 0.00 C ATOM 0 H ILE A 3 -8.964 -0.306 6.858 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.962 -1.931 8.296 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.612 -2.083 6.243 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.565 -2.151 4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.893 -0.671 5.117 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.756 -4.085 5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.748 -4.026 7.167 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.229 -3.614 6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.258 -0.270 3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.506 0.007 4.893 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.173 -1.497 4.000 1.00 0.00 H new ATOM 54 N PHE A 4 -5.323 0.002 8.090 1.00 0.00 N ATOM 55 CA PHE A 4 -4.572 1.224 8.323 1.00 0.00 C ATOM 56 C PHE A 4 -3.308 1.262 7.460 1.00 0.00 C ATOM 57 O PHE A 4 -2.445 0.394 7.579 1.00 0.00 O ATOM 58 CB PHE A 4 -4.169 1.227 9.798 1.00 0.00 C ATOM 59 CG PHE A 4 -5.314 1.564 10.755 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.461 0.834 10.727 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.184 2.593 11.635 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.524 1.147 11.615 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.247 2.906 12.523 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.395 2.176 12.495 1.00 0.00 C ATOM 0 H PHE A 4 -4.821 -0.857 8.315 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.181 2.091 8.067 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.769 0.246 10.057 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.364 1.948 9.943 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.563 0.016 10.029 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.273 3.172 11.658 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.435 0.568 11.592 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.144 3.724 13.221 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.203 2.414 13.171 1.00 0.00 H new ATOM 74 N VAL A 5 -3.239 2.279 6.613 1.00 0.00 N ATOM 75 CA VAL A 5 -2.095 2.442 5.733 1.00 0.00 C ATOM 76 C VAL A 5 -1.255 3.628 6.210 1.00 0.00 C ATOM 77 O VAL A 5 -1.767 4.532 6.869 1.00 0.00 O ATOM 78 CB VAL A 5 -2.568 2.589 4.285 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.020 4.022 3.998 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.476 2.153 3.305 1.00 0.00 C ATOM 0 H VAL A 5 -3.957 2.998 6.518 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.458 1.558 5.766 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.427 1.932 4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.351 4.099 2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.843 4.284 4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.188 4.706 4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.838 2.267 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.590 2.772 3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.221 1.109 3.485 1.00 0.00 H new ATOM 90 N LYS A 6 0.023 3.585 5.861 1.00 0.00 N ATOM 91 CA LYS A 6 0.940 4.645 6.245 1.00 0.00 C ATOM 92 C LYS A 6 1.406 5.390 4.993 1.00 0.00 C ATOM 93 O LYS A 6 1.600 4.782 3.941 1.00 0.00 O ATOM 94 CB LYS A 6 2.085 4.082 7.089 1.00 0.00 C ATOM 95 CG LYS A 6 1.905 4.439 8.566 1.00 0.00 C ATOM 96 CD LYS A 6 2.462 3.336 9.468 1.00 0.00 C ATOM 97 CE LYS A 6 3.755 3.787 10.152 1.00 0.00 C ATOM 98 NZ LYS A 6 3.462 4.782 11.208 1.00 0.00 N ATOM 0 H LYS A 6 0.445 2.833 5.317 1.00 0.00 H new ATOM 0 HA LYS A 6 0.436 5.374 6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.126 2.999 6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.035 4.477 6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.412 5.380 8.781 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.847 4.590 8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.721 3.069 10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.652 2.440 8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.263 2.926 10.586 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.432 4.219 9.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.304 4.913 11.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.204 5.689 10.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.672 4.444 11.794 1.00 0.00 H new ATOM 112 N THR A 7 1.574 6.695 5.147 1.00 0.00 N ATOM 113 CA THR A 7 2.014 7.529 4.042 1.00 0.00 C ATOM 114 C THR A 7 3.507 7.840 4.170 1.00 0.00 C ATOM 115 O THR A 7 4.130 7.506 5.177 1.00 0.00 O ATOM 116 CB THR A 7 1.134 8.780 4.013 1.00 0.00 C ATOM 117 OG1 THR A 7 1.244 9.312 5.330 1.00 0.00 O ATOM 118 CG2 THR A 7 -0.353 8.446 3.869 1.00 0.00 C ATOM 0 H THR A 7 1.413 7.196 6.021 1.00 0.00 H new ATOM 0 HA THR A 7 1.901 7.013 3.089 1.00 0.00 H new ATOM 0 HB THR A 7 1.443 9.423 3.189 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.557 10.240 5.283 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.933 9.369 3.854 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.515 7.900 2.940 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.671 7.831 4.711 1.00 0.00 H new ATOM 126 N LEU A 8 4.038 8.475 3.135 1.00 0.00 N ATOM 127 CA LEU A 8 5.445 8.834 3.119 1.00 0.00 C ATOM 128 C LEU A 8 5.726 9.830 4.246 1.00 0.00 C ATOM 129 O LEU A 8 6.880 10.063 4.600 1.00 0.00 O ATOM 130 CB LEU A 8 5.853 9.340 1.735 1.00 0.00 C ATOM 131 CG LEU A 8 5.413 10.763 1.384 1.00 0.00 C ATOM 132 CD1 LEU A 8 3.906 10.937 1.590 1.00 0.00 C ATOM 133 CD2 LEU A 8 6.222 11.797 2.170 1.00 0.00 C ATOM 0 H LEU A 8 3.518 8.750 2.301 1.00 0.00 H new ATOM 0 HA LEU A 8 6.064 7.957 3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.939 9.287 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.446 8.660 0.987 1.00 0.00 H new ATOM 0 HG LEU A 8 5.616 10.932 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.619 11.957 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.368 10.237 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.656 10.741 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.889 12.800 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.074 11.639 3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.280 11.690 1.931 1.00 0.00 H new ATOM 145 N THR A 9 4.650 10.392 4.777 1.00 0.00 N ATOM 146 CA THR A 9 4.766 11.358 5.856 1.00 0.00 C ATOM 147 C THR A 9 4.507 10.685 7.205 1.00 0.00 C ATOM 148 O THR A 9 4.110 11.342 8.165 1.00 0.00 O ATOM 149 CB THR A 9 3.808 12.514 5.561 1.00 0.00 C ATOM 150 OG1 THR A 9 4.450 13.238 4.515 1.00 0.00 O ATOM 151 CG2 THR A 9 3.727 13.517 6.713 1.00 0.00 C ATOM 0 H THR A 9 3.694 10.197 4.480 1.00 0.00 H new ATOM 0 HA THR A 9 5.777 11.761 5.918 1.00 0.00 H new ATOM 0 HB THR A 9 2.814 12.117 5.355 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.896 14.005 4.260 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.034 14.316 6.451 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.375 13.011 7.612 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.715 13.939 6.898 1.00 0.00 H new ATOM 159 N GLY A 10 4.743 9.381 7.234 1.00 0.00 N ATOM 160 CA GLY A 10 4.541 8.611 8.450 1.00 0.00 C ATOM 161 C GLY A 10 3.149 8.862 9.032 1.00 0.00 C ATOM 162 O GLY A 10 2.913 8.616 10.214 1.00 0.00 O ATOM 0 H GLY A 10 5.072 8.839 6.435 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.664 7.549 8.237 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.300 8.879 9.185 1.00 0.00 H new ATOM 166 N LYS A 11 2.263 9.348 8.176 1.00 0.00 N ATOM 167 CA LYS A 11 0.901 9.636 8.591 1.00 0.00 C ATOM 168 C LYS A 11 0.070 8.353 8.525 1.00 0.00 C ATOM 169 O LYS A 11 0.353 7.467 7.719 1.00 0.00 O ATOM 170 CB LYS A 11 0.320 10.787 7.767 1.00 0.00 C ATOM 171 CG LYS A 11 -0.905 11.391 8.455 1.00 0.00 C ATOM 172 CD LYS A 11 -1.184 12.804 7.938 1.00 0.00 C ATOM 173 CE LYS A 11 -1.842 13.664 9.018 1.00 0.00 C ATOM 174 NZ LYS A 11 -2.186 14.999 8.479 1.00 0.00 N ATOM 0 H LYS A 11 2.462 9.550 7.196 1.00 0.00 H new ATOM 0 HA LYS A 11 0.883 9.976 9.627 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.079 11.557 7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.044 10.426 6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.774 10.757 8.279 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.744 11.420 9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.251 13.268 7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.833 12.753 7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.742 13.171 9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.167 13.771 9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.632 15.570 9.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.321 15.474 8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.847 14.892 7.683 1.00 0.00 H new ATOM 188 N THR A 12 -0.938 8.292 9.382 1.00 0.00 N ATOM 189 CA THR A 12 -1.812 7.132 9.431 1.00 0.00 C ATOM 190 C THR A 12 -3.142 7.436 8.740 1.00 0.00 C ATOM 191 O THR A 12 -3.843 8.374 9.119 1.00 0.00 O ATOM 192 CB THR A 12 -1.968 6.720 10.895 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.721 6.114 11.221 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.988 5.594 11.081 1.00 0.00 C ATOM 0 H THR A 12 -1.169 9.028 10.049 1.00 0.00 H new ATOM 0 HA THR A 12 -1.384 6.291 8.885 1.00 0.00 H new ATOM 0 HB THR A 12 -2.270 7.586 11.484 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.735 5.819 12.155 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.060 5.340 12.138 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.962 5.922 10.719 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.669 4.717 10.518 1.00 0.00 H new ATOM 202 N ILE A 13 -3.450 6.628 7.736 1.00 0.00 N ATOM 203 CA ILE A 13 -4.683 6.798 6.988 1.00 0.00 C ATOM 204 C ILE A 13 -5.470 5.487 7.005 1.00 0.00 C ATOM 205 O ILE A 13 -4.987 4.463 6.526 1.00 0.00 O ATOM 206 CB ILE A 13 -4.389 7.322 5.581 1.00 0.00 C ATOM 207 CG1 ILE A 13 -4.034 8.809 5.613 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.554 7.029 4.633 1.00 0.00 C ATOM 209 CD1 ILE A 13 -3.526 9.281 4.248 1.00 0.00 C ATOM 0 H ILE A 13 -2.866 5.853 7.423 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.313 7.553 7.458 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.518 6.793 5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.911 9.390 5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.271 8.988 6.371 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.320 7.412 3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.717 5.953 4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.457 7.514 5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.281 10.342 4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.635 8.715 3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.300 9.123 3.497 1.00 0.00 H new ATOM 221 N THR A 14 -6.671 5.561 7.561 1.00 0.00 N ATOM 222 CA THR A 14 -7.530 4.391 7.646 1.00 0.00 C ATOM 223 C THR A 14 -8.515 4.368 6.476 1.00 0.00 C ATOM 224 O THR A 14 -9.059 5.403 6.096 1.00 0.00 O ATOM 225 CB THR A 14 -8.212 4.404 9.015 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.211 4.905 9.898 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.501 2.997 9.539 1.00 0.00 C ATOM 0 H THR A 14 -7.069 6.412 7.957 1.00 0.00 H new ATOM 0 HA THR A 14 -6.954 3.469 7.563 1.00 0.00 H new ATOM 0 HB THR A 14 -9.144 4.965 8.950 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.962 4.207 10.540 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.985 3.064 10.513 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.158 2.477 8.842 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.566 2.446 9.636 1.00 0.00 H new ATOM 235 N LEU A 15 -8.716 3.174 5.937 1.00 0.00 N ATOM 236 CA LEU A 15 -9.626 3.001 4.817 1.00 0.00 C ATOM 237 C LEU A 15 -10.459 1.736 5.033 1.00 0.00 C ATOM 238 O LEU A 15 -9.927 0.697 5.419 1.00 0.00 O ATOM 239 CB LEU A 15 -8.857 3.014 3.495 1.00 0.00 C ATOM 240 CG LEU A 15 -9.643 3.477 2.266 1.00 0.00 C ATOM 241 CD1 LEU A 15 -9.295 4.922 1.906 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.429 2.525 1.088 1.00 0.00 C ATOM 0 H LEU A 15 -8.264 2.317 6.255 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.324 3.836 4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.987 3.661 3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.483 2.008 3.305 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.705 3.453 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.867 5.226 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.540 5.575 2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.230 4.996 1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.998 2.877 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.370 2.493 0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.766 1.525 1.362 1.00 0.00 H new ATOM 254 N GLU A 16 -11.752 1.866 4.775 1.00 0.00 N ATOM 255 CA GLU A 16 -12.663 0.746 4.937 1.00 0.00 C ATOM 256 C GLU A 16 -12.935 0.084 3.584 1.00 0.00 C ATOM 257 O GLU A 16 -13.548 0.687 2.705 1.00 0.00 O ATOM 258 CB GLU A 16 -13.968 1.192 5.600 1.00 0.00 C ATOM 259 CG GLU A 16 -14.553 2.415 4.891 1.00 0.00 C ATOM 260 CD GLU A 16 -14.413 3.670 5.755 1.00 0.00 C ATOM 261 OE1 GLU A 16 -13.367 4.341 5.615 1.00 0.00 O ATOM 262 OE2 GLU A 16 -15.354 3.929 6.536 1.00 0.00 O ATOM 0 H GLU A 16 -12.190 2.730 4.455 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.193 0.012 5.592 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.689 0.375 5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.785 1.428 6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.044 2.566 3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.605 2.240 4.665 1.00 0.00 H new ATOM 269 N VAL A 17 -12.465 -1.149 3.462 1.00 0.00 N ATOM 270 CA VAL A 17 -12.649 -1.900 2.231 1.00 0.00 C ATOM 271 C VAL A 17 -13.217 -3.282 2.562 1.00 0.00 C ATOM 272 O VAL A 17 -13.348 -3.639 3.732 1.00 0.00 O ATOM 273 CB VAL A 17 -11.331 -1.966 1.455 1.00 0.00 C ATOM 274 CG1 VAL A 17 -10.893 -0.572 1.000 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.238 -2.639 2.288 1.00 0.00 C ATOM 0 H VAL A 17 -11.958 -1.646 4.194 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.368 -1.399 1.582 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.496 -2.573 0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.954 -0.647 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.658 -0.143 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.754 0.068 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.312 -2.673 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.076 -2.070 3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.546 -3.654 2.541 1.00 0.00 H new ATOM 285 N GLU A 18 -13.537 -4.022 1.512 1.00 0.00 N ATOM 286 CA GLU A 18 -14.087 -5.356 1.676 1.00 0.00 C ATOM 287 C GLU A 18 -13.046 -6.411 1.296 1.00 0.00 C ATOM 288 O GLU A 18 -12.090 -6.115 0.581 1.00 0.00 O ATOM 289 CB GLU A 18 -15.366 -5.528 0.853 1.00 0.00 C ATOM 290 CG GLU A 18 -16.607 -5.237 1.701 1.00 0.00 C ATOM 291 CD GLU A 18 -17.315 -6.533 2.098 1.00 0.00 C ATOM 292 OE1 GLU A 18 -17.329 -7.454 1.253 1.00 0.00 O ATOM 293 OE2 GLU A 18 -17.828 -6.573 3.237 1.00 0.00 O ATOM 0 H GLU A 18 -13.426 -3.723 0.543 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.348 -5.492 2.726 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.343 -4.858 -0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.418 -6.544 0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.319 -4.687 2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.293 -4.600 1.142 1.00 0.00 H new ATOM 300 N PRO A 19 -13.273 -7.652 1.804 1.00 0.00 N ATOM 301 CA PRO A 19 -12.366 -8.752 1.525 1.00 0.00 C ATOM 302 C PRO A 19 -12.549 -9.266 0.096 1.00 0.00 C ATOM 303 O PRO A 19 -11.713 -10.013 -0.411 1.00 0.00 O ATOM 304 CB PRO A 19 -12.683 -9.801 2.579 1.00 0.00 C ATOM 305 CG PRO A 19 -14.062 -9.449 3.115 1.00 0.00 C ATOM 306 CD PRO A 19 -14.395 -8.040 2.654 1.00 0.00 C ATOM 0 HA PRO A 19 -11.318 -8.456 1.579 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.675 -10.802 2.148 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.940 -9.791 3.376 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.806 -10.156 2.749 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.075 -9.508 4.203 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.335 -8.016 2.104 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.503 -7.362 3.500 1.00 0.00 H new ATOM 314 N SER A 20 -13.647 -8.844 -0.514 1.00 0.00 N ATOM 315 CA SER A 20 -13.952 -9.252 -1.875 1.00 0.00 C ATOM 316 C SER A 20 -13.329 -8.269 -2.867 1.00 0.00 C ATOM 317 O SER A 20 -13.151 -8.595 -4.041 1.00 0.00 O ATOM 318 CB SER A 20 -15.463 -9.346 -2.098 1.00 0.00 C ATOM 319 OG SER A 20 -15.972 -10.636 -1.767 1.00 0.00 O ATOM 0 H SER A 20 -14.337 -8.223 -0.090 1.00 0.00 H new ATOM 0 HA SER A 20 -13.527 -10.242 -2.038 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.966 -8.591 -1.494 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.690 -9.123 -3.140 1.00 0.00 H new ATOM 0 HG SER A 20 -16.940 -10.655 -1.921 1.00 0.00 H new ATOM 325 N ASP A 21 -13.013 -7.086 -2.361 1.00 0.00 N ATOM 326 CA ASP A 21 -12.415 -6.053 -3.189 1.00 0.00 C ATOM 327 C ASP A 21 -10.955 -6.414 -3.470 1.00 0.00 C ATOM 328 O ASP A 21 -10.266 -6.951 -2.604 1.00 0.00 O ATOM 329 CB ASP A 21 -12.438 -4.697 -2.480 1.00 0.00 C ATOM 330 CG ASP A 21 -13.756 -4.354 -1.782 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.767 -5.002 -2.131 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.723 -3.453 -0.918 1.00 0.00 O ATOM 0 H ASP A 21 -13.160 -6.820 -1.387 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.989 -5.987 -4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.637 -4.677 -1.741 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.218 -3.918 -3.210 1.00 0.00 H new ATOM 337 N THR A 22 -10.527 -6.105 -4.685 1.00 0.00 N ATOM 338 CA THR A 22 -9.162 -6.391 -5.093 1.00 0.00 C ATOM 339 C THR A 22 -8.229 -5.253 -4.669 1.00 0.00 C ATOM 340 O THR A 22 -8.689 -4.206 -4.214 1.00 0.00 O ATOM 341 CB THR A 22 -9.161 -6.646 -6.601 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.724 -5.459 -7.154 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.141 -7.749 -7.008 1.00 0.00 C ATOM 0 H THR A 22 -11.101 -5.659 -5.400 1.00 0.00 H new ATOM 0 HA THR A 22 -8.781 -7.284 -4.598 1.00 0.00 H new ATOM 0 HB THR A 22 -8.156 -6.917 -6.923 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.907 -5.597 -8.107 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.101 -7.891 -8.088 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.869 -8.680 -6.510 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.152 -7.464 -6.716 1.00 0.00 H new ATOM 351 N ILE A 23 -6.937 -5.497 -4.834 1.00 0.00 N ATOM 352 CA ILE A 23 -5.938 -4.507 -4.475 1.00 0.00 C ATOM 353 C ILE A 23 -6.196 -3.218 -5.258 1.00 0.00 C ATOM 354 O ILE A 23 -6.132 -2.124 -4.700 1.00 0.00 O ATOM 355 CB ILE A 23 -4.529 -5.071 -4.669 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.183 -6.075 -3.568 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.496 -3.947 -4.765 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.227 -5.412 -2.189 1.00 0.00 C ATOM 0 H ILE A 23 -6.560 -6.366 -5.212 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.015 -4.258 -3.417 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.506 -5.611 -5.616 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.884 -6.909 -3.597 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.190 -6.488 -3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.503 -4.376 -4.903 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.735 -3.305 -5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.513 -3.358 -3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.977 -6.147 -1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.507 -4.594 -2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.228 -5.022 -2.005 1.00 0.00 H new ATOM 370 N GLU A 24 -6.487 -3.391 -6.539 1.00 0.00 N ATOM 371 CA GLU A 24 -6.756 -2.255 -7.406 1.00 0.00 C ATOM 372 C GLU A 24 -7.951 -1.459 -6.878 1.00 0.00 C ATOM 373 O GLU A 24 -8.002 -0.238 -7.027 1.00 0.00 O ATOM 374 CB GLU A 24 -6.992 -2.710 -8.847 1.00 0.00 C ATOM 375 CG GLU A 24 -8.050 -3.813 -8.908 1.00 0.00 C ATOM 376 CD GLU A 24 -8.579 -3.988 -10.333 1.00 0.00 C ATOM 377 OE1 GLU A 24 -9.295 -3.071 -10.789 1.00 0.00 O ATOM 378 OE2 GLU A 24 -8.254 -5.035 -10.934 1.00 0.00 O ATOM 0 H GLU A 24 -6.543 -4.300 -6.998 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.882 -1.604 -7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.311 -1.861 -9.452 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.058 -3.073 -9.275 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.622 -4.752 -8.557 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.874 -3.569 -8.238 1.00 0.00 H new ATOM 385 N ASN A 25 -8.883 -2.180 -6.275 1.00 0.00 N ATOM 386 CA ASN A 25 -10.074 -1.556 -5.725 1.00 0.00 C ATOM 387 C ASN A 25 -9.685 -0.693 -4.524 1.00 0.00 C ATOM 388 O ASN A 25 -10.094 0.463 -4.427 1.00 0.00 O ATOM 389 CB ASN A 25 -11.077 -2.608 -5.246 1.00 0.00 C ATOM 390 CG ASN A 25 -12.356 -2.570 -6.084 1.00 0.00 C ATOM 391 OD1 ASN A 25 -12.342 -2.742 -7.292 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.458 -2.334 -5.380 1.00 0.00 N ATOM 0 H ASN A 25 -8.838 -3.192 -6.155 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.531 -0.953 -6.510 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.627 -3.599 -5.308 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.320 -2.433 -4.198 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.363 -2.288 -5.849 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.399 -2.199 -4.371 1.00 0.00 H new ATOM 399 N VAL A 26 -8.898 -1.286 -3.639 1.00 0.00 N ATOM 400 CA VAL A 26 -8.448 -0.586 -2.449 1.00 0.00 C ATOM 401 C VAL A 26 -7.570 0.598 -2.860 1.00 0.00 C ATOM 402 O VAL A 26 -7.624 1.660 -2.241 1.00 0.00 O ATOM 403 CB VAL A 26 -7.736 -1.559 -1.506 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.465 -0.908 -0.149 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.540 -2.851 -1.343 1.00 0.00 C ATOM 0 H VAL A 26 -8.560 -2.245 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.299 -0.185 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.775 -1.816 -1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.958 -1.621 0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.834 -0.030 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.409 -0.609 0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.012 -3.525 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.522 -2.619 -0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.659 -3.330 -2.315 1.00 0.00 H new ATOM 415 N LYS A 27 -6.782 0.376 -3.902 1.00 0.00 N ATOM 416 CA LYS A 27 -5.895 1.411 -4.402 1.00 0.00 C ATOM 417 C LYS A 27 -6.728 2.560 -4.973 1.00 0.00 C ATOM 418 O LYS A 27 -6.470 3.725 -4.678 1.00 0.00 O ATOM 419 CB LYS A 27 -4.894 0.823 -5.398 1.00 0.00 C ATOM 420 CG LYS A 27 -3.773 0.075 -4.673 1.00 0.00 C ATOM 421 CD LYS A 27 -2.887 -0.682 -5.665 1.00 0.00 C ATOM 422 CE LYS A 27 -1.406 -0.499 -5.328 1.00 0.00 C ATOM 423 NZ LYS A 27 -0.814 -1.781 -4.885 1.00 0.00 N ATOM 0 H LYS A 27 -6.740 -0.506 -4.413 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.297 1.824 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.408 0.144 -6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.469 1.622 -6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.168 0.782 -4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.202 -0.625 -3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.139 -1.742 -5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.080 -0.325 -6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.871 -0.127 -6.202 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.295 0.250 -4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.137 -1.610 -4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.414 -2.204 -4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.749 -2.431 -5.694 1.00 0.00 H new ATOM 437 N ALA A 28 -7.711 2.190 -5.781 1.00 0.00 N ATOM 438 CA ALA A 28 -8.585 3.174 -6.396 1.00 0.00 C ATOM 439 C ALA A 28 -9.264 4.001 -5.303 1.00 0.00 C ATOM 440 O ALA A 28 -9.457 5.206 -5.460 1.00 0.00 O ATOM 441 CB ALA A 28 -9.594 2.467 -7.304 1.00 0.00 C ATOM 0 H ALA A 28 -7.921 1.222 -6.024 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.011 3.859 -7.020 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.249 3.206 -7.765 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.062 1.919 -8.082 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.190 1.772 -6.713 1.00 0.00 H new ATOM 447 N LYS A 29 -9.608 3.322 -4.219 1.00 0.00 N ATOM 448 CA LYS A 29 -10.262 3.978 -3.100 1.00 0.00 C ATOM 449 C LYS A 29 -9.302 4.996 -2.480 1.00 0.00 C ATOM 450 O LYS A 29 -9.694 6.122 -2.178 1.00 0.00 O ATOM 451 CB LYS A 29 -10.788 2.943 -2.104 1.00 0.00 C ATOM 452 CG LYS A 29 -12.226 2.544 -2.437 1.00 0.00 C ATOM 453 CD LYS A 29 -12.893 1.852 -1.245 1.00 0.00 C ATOM 454 CE LYS A 29 -14.418 1.908 -1.362 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.042 0.885 -0.494 1.00 0.00 N ATOM 0 H LYS A 29 -9.446 2.323 -4.092 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.137 4.531 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.149 2.060 -2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.744 3.350 -1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.798 3.429 -2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.232 1.877 -3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.566 0.813 -1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.578 2.332 -0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.774 2.899 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.715 1.745 -2.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.077 0.937 -0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.716 -0.060 -0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.773 1.058 0.495 1.00 0.00 H new ATOM 469 N ILE A 30 -8.061 4.562 -2.308 1.00 0.00 N ATOM 470 CA ILE A 30 -7.043 5.421 -1.729 1.00 0.00 C ATOM 471 C ILE A 30 -6.798 6.613 -2.657 1.00 0.00 C ATOM 472 O ILE A 30 -6.506 7.715 -2.194 1.00 0.00 O ATOM 473 CB ILE A 30 -5.778 4.618 -1.415 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.081 3.478 -0.441 1.00 0.00 C ATOM 475 CG2 ILE A 30 -4.662 5.529 -0.902 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.086 2.329 -0.614 1.00 0.00 C ATOM 0 H ILE A 30 -7.739 3.628 -2.559 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.384 5.823 -0.775 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.422 4.165 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.039 3.849 0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.095 3.114 -0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.775 4.933 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.423 6.274 -1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.991 6.031 0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.324 1.532 0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.148 1.944 -1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.076 2.691 -0.424 1.00 0.00 H new ATOM 488 N GLN A 31 -6.928 6.352 -3.949 1.00 0.00 N ATOM 489 CA GLN A 31 -6.725 7.390 -4.946 1.00 0.00 C ATOM 490 C GLN A 31 -7.796 8.474 -4.809 1.00 0.00 C ATOM 491 O GLN A 31 -7.483 9.626 -4.514 1.00 0.00 O ATOM 492 CB GLN A 31 -6.721 6.800 -6.358 1.00 0.00 C ATOM 493 CG GLN A 31 -6.580 7.900 -7.411 1.00 0.00 C ATOM 494 CD GLN A 31 -7.257 7.496 -8.722 1.00 0.00 C ATOM 495 OE1 GLN A 31 -7.474 6.328 -9.003 1.00 0.00 O ATOM 496 NE2 GLN A 31 -7.577 8.521 -9.505 1.00 0.00 N ATOM 0 H GLN A 31 -7.171 5.437 -4.329 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.750 7.846 -4.774 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.900 6.090 -6.457 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.644 6.246 -6.527 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.023 8.824 -7.039 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.524 8.103 -7.591 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.367 9.474 -9.209 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.033 8.355 -10.402 1.00 0.00 H new ATOM 505 N ASP A 32 -9.037 8.066 -5.027 1.00 0.00 N ATOM 506 CA ASP A 32 -10.156 8.990 -4.932 1.00 0.00 C ATOM 507 C ASP A 32 -10.197 9.590 -3.525 1.00 0.00 C ATOM 508 O ASP A 32 -10.762 10.663 -3.320 1.00 0.00 O ATOM 509 CB ASP A 32 -11.485 8.272 -5.178 1.00 0.00 C ATOM 510 CG ASP A 32 -12.415 8.960 -6.179 1.00 0.00 C ATOM 511 OD1 ASP A 32 -12.584 10.191 -6.044 1.00 0.00 O ATOM 512 OD2 ASP A 32 -12.935 8.239 -7.058 1.00 0.00 O ATOM 0 H ASP A 32 -9.293 7.109 -5.269 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.019 9.765 -5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.275 7.263 -5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.009 8.173 -4.227 1.00 0.00 H new ATOM 517 N LYS A 33 -9.589 8.873 -2.592 1.00 0.00 N ATOM 518 CA LYS A 33 -9.549 9.321 -1.210 1.00 0.00 C ATOM 519 C LYS A 33 -8.444 10.367 -1.049 1.00 0.00 C ATOM 520 O LYS A 33 -8.724 11.559 -0.935 1.00 0.00 O ATOM 521 CB LYS A 33 -9.409 8.128 -0.263 1.00 0.00 C ATOM 522 CG LYS A 33 -9.219 8.594 1.182 1.00 0.00 C ATOM 523 CD LYS A 33 -10.562 8.687 1.909 1.00 0.00 C ATOM 524 CE LYS A 33 -10.576 9.868 2.883 1.00 0.00 C ATOM 525 NZ LYS A 33 -11.563 10.883 2.451 1.00 0.00 N ATOM 0 H LYS A 33 -9.120 7.984 -2.766 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.488 9.804 -0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.296 7.498 -0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.559 7.516 -0.566 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.564 7.900 1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.728 9.567 1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.366 8.801 1.182 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.751 7.761 2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.821 9.517 3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.584 10.316 2.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.560 11.678 3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.312 11.230 1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.511 10.456 2.424 1.00 0.00 H new ATOM 539 N GLU A 34 -7.211 9.882 -1.048 1.00 0.00 N ATOM 540 CA GLU A 34 -6.062 10.760 -0.904 1.00 0.00 C ATOM 541 C GLU A 34 -5.865 11.589 -2.174 1.00 0.00 C ATOM 542 O GLU A 34 -5.845 12.817 -2.122 1.00 0.00 O ATOM 543 CB GLU A 34 -4.800 9.962 -0.568 1.00 0.00 C ATOM 544 CG GLU A 34 -4.805 9.519 0.896 1.00 0.00 C ATOM 545 CD GLU A 34 -4.835 7.993 1.008 1.00 0.00 C ATOM 546 OE1 GLU A 34 -5.960 7.449 1.037 1.00 0.00 O ATOM 547 OE2 GLU A 34 -3.733 7.406 1.060 1.00 0.00 O ATOM 0 H GLU A 34 -6.983 8.893 -1.145 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.252 11.442 -0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.735 9.088 -1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.917 10.571 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.920 9.907 1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.672 9.941 1.404 1.00 0.00 H new ATOM 554 N GLY A 35 -5.723 10.883 -3.287 1.00 0.00 N ATOM 555 CA GLY A 35 -5.528 11.538 -4.570 1.00 0.00 C ATOM 556 C GLY A 35 -4.302 10.974 -5.293 1.00 0.00 C ATOM 557 O GLY A 35 -3.970 11.413 -6.391 1.00 0.00 O ATOM 0 H GLY A 35 -5.739 9.864 -3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.414 11.403 -5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.405 12.611 -4.420 1.00 0.00 H new ATOM 561 N ILE A 36 -3.665 10.009 -4.645 1.00 0.00 N ATOM 562 CA ILE A 36 -2.485 9.381 -5.213 1.00 0.00 C ATOM 563 C ILE A 36 -2.913 8.371 -6.279 1.00 0.00 C ATOM 564 O ILE A 36 -3.931 7.697 -6.128 1.00 0.00 O ATOM 565 CB ILE A 36 -1.615 8.778 -4.108 1.00 0.00 C ATOM 566 CG1 ILE A 36 -1.084 9.867 -3.172 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.487 7.930 -4.698 1.00 0.00 C ATOM 568 CD1 ILE A 36 -0.942 9.340 -1.743 1.00 0.00 C ATOM 0 H ILE A 36 -3.944 9.647 -3.733 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.860 10.123 -5.710 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.237 8.113 -3.509 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.117 10.220 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.760 10.722 -3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.116 7.514 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.912 7.119 -5.289 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.141 8.552 -5.336 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.563 10.133 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.915 9.010 -1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.247 8.501 -1.732 1.00 0.00 H new ATOM 580 N PRO A 37 -2.092 8.294 -7.360 1.00 0.00 N ATOM 581 CA PRO A 37 -2.375 7.376 -8.451 1.00 0.00 C ATOM 582 C PRO A 37 -2.045 5.936 -8.056 1.00 0.00 C ATOM 583 O PRO A 37 -1.178 5.702 -7.216 1.00 0.00 O ATOM 584 CB PRO A 37 -1.538 7.879 -9.616 1.00 0.00 C ATOM 585 CG PRO A 37 -0.470 8.773 -9.006 1.00 0.00 C ATOM 586 CD PRO A 37 -0.878 9.075 -7.573 1.00 0.00 C ATOM 0 HA PRO A 37 -3.432 7.353 -8.718 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.088 7.049 -10.161 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.151 8.432 -10.327 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.501 8.279 -9.030 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.372 9.696 -9.578 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.095 8.790 -6.870 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.062 10.140 -7.430 1.00 0.00 H new ATOM 594 N PRO A 38 -2.774 4.983 -8.696 1.00 0.00 N ATOM 595 CA PRO A 38 -2.568 3.571 -8.421 1.00 0.00 C ATOM 596 C PRO A 38 -1.277 3.069 -9.069 1.00 0.00 C ATOM 597 O PRO A 38 -0.676 2.104 -8.598 1.00 0.00 O ATOM 598 CB PRO A 38 -3.811 2.880 -8.957 1.00 0.00 C ATOM 599 CG PRO A 38 -4.450 3.863 -9.924 1.00 0.00 C ATOM 600 CD PRO A 38 -3.811 5.222 -9.696 1.00 0.00 C ATOM 0 HA PRO A 38 -2.441 3.363 -7.359 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.553 1.948 -9.461 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.496 2.626 -8.148 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.300 3.538 -10.954 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.526 3.915 -9.760 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.387 5.620 -10.618 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.542 5.949 -9.342 1.00 0.00 H new ATOM 608 N ASP A 39 -0.888 3.746 -10.139 1.00 0.00 N ATOM 609 CA ASP A 39 0.321 3.379 -10.858 1.00 0.00 C ATOM 610 C ASP A 39 1.541 3.692 -9.988 1.00 0.00 C ATOM 611 O ASP A 39 2.464 2.885 -9.894 1.00 0.00 O ATOM 612 CB ASP A 39 0.451 4.175 -12.158 1.00 0.00 C ATOM 613 CG ASP A 39 0.240 3.363 -13.437 1.00 0.00 C ATOM 614 OD1 ASP A 39 0.664 2.187 -13.439 1.00 0.00 O ATOM 615 OD2 ASP A 39 -0.342 3.935 -14.383 1.00 0.00 O ATOM 0 H ASP A 39 -1.388 4.546 -10.526 1.00 0.00 H new ATOM 0 HA ASP A 39 0.266 2.315 -11.090 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.271 4.991 -12.140 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.442 4.627 -12.192 1.00 0.00 H new ATOM 620 N GLN A 40 1.504 4.866 -9.374 1.00 0.00 N ATOM 621 CA GLN A 40 2.594 5.296 -8.515 1.00 0.00 C ATOM 622 C GLN A 40 2.334 4.861 -7.071 1.00 0.00 C ATOM 623 O GLN A 40 2.916 5.414 -6.139 1.00 0.00 O ATOM 624 CB GLN A 40 2.798 6.809 -8.603 1.00 0.00 C ATOM 625 CG GLN A 40 4.287 7.160 -8.652 1.00 0.00 C ATOM 626 CD GLN A 40 4.633 7.903 -9.943 1.00 0.00 C ATOM 627 OE1 GLN A 40 4.146 8.987 -10.216 1.00 0.00 O ATOM 628 NE2 GLN A 40 5.500 7.259 -10.722 1.00 0.00 N ATOM 0 H GLN A 40 0.736 5.533 -9.455 1.00 0.00 H new ATOM 0 HA GLN A 40 3.512 4.819 -8.859 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.300 7.195 -9.492 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.335 7.293 -7.743 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.547 7.777 -7.792 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.881 6.249 -8.582 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.870 6.353 -10.433 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.794 7.671 -11.607 1.00 0.00 H new ATOM 637 N GLN A 41 1.463 3.874 -6.931 1.00 0.00 N ATOM 638 CA GLN A 41 1.120 3.358 -5.617 1.00 0.00 C ATOM 639 C GLN A 41 1.994 2.150 -5.275 1.00 0.00 C ATOM 640 O GLN A 41 2.171 1.255 -6.099 1.00 0.00 O ATOM 641 CB GLN A 41 -0.365 3.000 -5.539 1.00 0.00 C ATOM 642 CG GLN A 41 -1.122 3.989 -4.650 1.00 0.00 C ATOM 643 CD GLN A 41 -2.503 3.446 -4.278 1.00 0.00 C ATOM 644 OE1 GLN A 41 -2.683 2.758 -3.286 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.467 3.792 -5.127 1.00 0.00 N ATOM 0 H GLN A 41 0.984 3.417 -7.707 1.00 0.00 H new ATOM 0 HA GLN A 41 1.311 4.139 -4.881 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.796 3.002 -6.540 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.479 1.990 -5.145 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.547 4.183 -3.744 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.230 4.941 -5.169 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.249 4.370 -5.938 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.424 3.479 -4.967 1.00 0.00 H new ATOM 654 N ARG A 42 2.519 2.164 -4.059 1.00 0.00 N ATOM 655 CA ARG A 42 3.370 1.080 -3.598 1.00 0.00 C ATOM 656 C ARG A 42 2.954 0.637 -2.194 1.00 0.00 C ATOM 657 O ARG A 42 3.464 1.152 -1.200 1.00 0.00 O ATOM 658 CB ARG A 42 4.840 1.506 -3.577 1.00 0.00 C ATOM 659 CG ARG A 42 5.758 0.323 -3.892 1.00 0.00 C ATOM 660 CD ARG A 42 7.184 0.798 -4.177 1.00 0.00 C ATOM 661 NE ARG A 42 7.872 -0.171 -5.059 1.00 0.00 N ATOM 662 CZ ARG A 42 9.202 -0.236 -5.210 1.00 0.00 C ATOM 663 NH1 ARG A 42 9.995 0.608 -4.538 1.00 0.00 N ATOM 664 NH2 ARG A 42 9.740 -1.147 -6.033 1.00 0.00 N ATOM 0 H ARG A 42 2.372 2.909 -3.378 1.00 0.00 H new ATOM 0 HA ARG A 42 3.254 0.249 -4.293 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.002 2.301 -4.305 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.090 1.914 -2.598 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.763 -0.372 -3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.373 -0.222 -4.754 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.162 1.780 -4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.734 0.906 -3.242 1.00 0.00 H new ATOM 0 HE ARG A 42 7.298 -0.830 -5.585 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.587 1.301 -3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.007 0.558 -4.653 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.137 -1.791 -6.545 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.752 -1.196 -6.148 1.00 0.00 H new ATOM 678 N LEU A 43 2.030 -0.312 -2.157 1.00 0.00 N ATOM 679 CA LEU A 43 1.540 -0.830 -0.891 1.00 0.00 C ATOM 680 C LEU A 43 2.284 -2.122 -0.551 1.00 0.00 C ATOM 681 O LEU A 43 2.248 -3.083 -1.318 1.00 0.00 O ATOM 682 CB LEU A 43 0.019 -0.987 -0.930 1.00 0.00 C ATOM 683 CG LEU A 43 -0.739 0.027 -1.789 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.231 -0.304 -1.841 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.485 1.455 -1.303 1.00 0.00 C ATOM 0 H LEU A 43 1.608 -0.736 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 43 1.744 -0.124 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.214 -1.988 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.359 -0.923 0.090 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.360 -0.039 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.746 0.432 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.369 -1.297 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.643 -0.284 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.035 2.156 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.819 1.553 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.581 1.675 -1.362 1.00 0.00 H new ATOM 697 N ILE A 44 2.940 -2.105 0.600 1.00 0.00 N ATOM 698 CA ILE A 44 3.691 -3.265 1.051 1.00 0.00 C ATOM 699 C ILE A 44 2.945 -3.931 2.209 1.00 0.00 C ATOM 700 O ILE A 44 2.348 -3.250 3.042 1.00 0.00 O ATOM 701 CB ILE A 44 5.130 -2.872 1.392 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.843 -2.289 0.169 1.00 0.00 C ATOM 703 CG2 ILE A 44 5.894 -4.053 1.992 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.167 -0.808 0.377 1.00 0.00 C ATOM 0 H ILE A 44 2.967 -1.306 1.234 1.00 0.00 H new ATOM 0 HA ILE A 44 3.767 -4.004 0.253 1.00 0.00 H new ATOM 0 HB ILE A 44 5.100 -2.090 2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.763 -2.843 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.214 -2.407 -0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.914 -3.746 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.397 -4.382 2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.917 -4.874 1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.673 -0.419 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.243 -0.253 0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.816 -0.696 1.246 1.00 0.00 H new ATOM 716 N PHE A 45 3.003 -5.254 2.224 1.00 0.00 N ATOM 717 CA PHE A 45 2.340 -6.020 3.266 1.00 0.00 C ATOM 718 C PHE A 45 3.044 -7.360 3.494 1.00 0.00 C ATOM 719 O PHE A 45 3.148 -8.174 2.578 1.00 0.00 O ATOM 720 CB PHE A 45 0.911 -6.284 2.787 1.00 0.00 C ATOM 721 CG PHE A 45 -0.084 -6.557 3.918 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.191 -7.508 4.850 1.00 0.00 C ATOM 723 CD2 PHE A 45 -1.242 -5.848 3.990 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.732 -7.761 5.899 1.00 0.00 C ATOM 725 CE2 PHE A 45 -2.165 -6.101 5.039 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.890 -7.052 5.972 1.00 0.00 C ATOM 0 H PHE A 45 3.499 -5.815 1.532 1.00 0.00 H new ATOM 0 HA PHE A 45 2.359 -5.465 4.204 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.566 -5.424 2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.918 -7.137 2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.111 -8.071 4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.460 -5.093 3.249 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.514 -8.517 6.639 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.085 -5.539 5.096 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.591 -7.244 6.771 1.00 0.00 H new ATOM 736 N ALA A 46 3.511 -7.546 4.719 1.00 0.00 N ATOM 737 CA ALA A 46 4.202 -8.772 5.079 1.00 0.00 C ATOM 738 C ALA A 46 5.506 -8.869 4.286 1.00 0.00 C ATOM 739 O ALA A 46 6.131 -9.928 4.237 1.00 0.00 O ATOM 740 CB ALA A 46 3.281 -9.968 4.835 1.00 0.00 C ATOM 0 H ALA A 46 3.424 -6.868 5.476 1.00 0.00 H new ATOM 0 HA ALA A 46 4.460 -8.770 6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.800 -10.888 5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.383 -9.866 5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.003 -10.004 3.782 1.00 0.00 H new ATOM 746 N GLY A 47 5.879 -7.749 3.683 1.00 0.00 N ATOM 747 CA GLY A 47 7.098 -7.694 2.893 1.00 0.00 C ATOM 748 C GLY A 47 6.806 -7.952 1.414 1.00 0.00 C ATOM 749 O GLY A 47 7.702 -7.871 0.577 1.00 0.00 O ATOM 0 H GLY A 47 5.359 -6.873 3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.567 -6.717 3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.808 -8.434 3.262 1.00 0.00 H new ATOM 753 N LYS A 48 5.546 -8.257 1.137 1.00 0.00 N ATOM 754 CA LYS A 48 5.123 -8.527 -0.227 1.00 0.00 C ATOM 755 C LYS A 48 4.289 -7.351 -0.740 1.00 0.00 C ATOM 756 O LYS A 48 3.445 -6.822 -0.018 1.00 0.00 O ATOM 757 CB LYS A 48 4.402 -9.874 -0.307 1.00 0.00 C ATOM 758 CG LYS A 48 4.678 -10.564 -1.645 1.00 0.00 C ATOM 759 CD LYS A 48 5.906 -11.472 -1.550 1.00 0.00 C ATOM 760 CE LYS A 48 5.509 -12.945 -1.660 1.00 0.00 C ATOM 761 NZ LYS A 48 6.526 -13.700 -2.425 1.00 0.00 N ATOM 0 H LYS A 48 4.804 -8.323 1.834 1.00 0.00 H new ATOM 0 HA LYS A 48 5.988 -8.615 -0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.729 -10.515 0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.329 -9.724 -0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.809 -11.151 -1.942 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.835 -9.814 -2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.610 -11.221 -2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.418 -11.299 -0.603 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.402 -13.374 -0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.539 -13.031 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.241 -14.698 -2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.608 -13.300 -3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.444 -13.633 -1.942 1.00 0.00 H new ATOM 775 N GLN A 49 4.555 -6.977 -1.982 1.00 0.00 N ATOM 776 CA GLN A 49 3.840 -5.873 -2.601 1.00 0.00 C ATOM 777 C GLN A 49 2.474 -6.342 -3.106 1.00 0.00 C ATOM 778 O GLN A 49 2.355 -7.434 -3.661 1.00 0.00 O ATOM 779 CB GLN A 49 4.660 -5.253 -3.734 1.00 0.00 C ATOM 780 CG GLN A 49 4.875 -6.258 -4.867 1.00 0.00 C ATOM 781 CD GLN A 49 6.236 -6.050 -5.535 1.00 0.00 C ATOM 782 OE1 GLN A 49 6.372 -5.341 -6.518 1.00 0.00 O ATOM 783 NE2 GLN A 49 7.233 -6.706 -4.947 1.00 0.00 N ATOM 0 H GLN A 49 5.256 -7.418 -2.577 1.00 0.00 H new ATOM 0 HA GLN A 49 3.682 -5.101 -1.848 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.148 -4.371 -4.118 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.624 -4.920 -3.350 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.810 -7.273 -4.475 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.082 -6.151 -5.608 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.050 -7.283 -4.126 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.181 -6.632 -5.317 1.00 0.00 H new ATOM 792 N LEU A 50 1.478 -5.495 -2.896 1.00 0.00 N ATOM 793 CA LEU A 50 0.125 -5.809 -3.323 1.00 0.00 C ATOM 794 C LEU A 50 0.020 -5.635 -4.840 1.00 0.00 C ATOM 795 O LEU A 50 0.174 -4.528 -5.353 1.00 0.00 O ATOM 796 CB LEU A 50 -0.892 -4.978 -2.536 1.00 0.00 C ATOM 797 CG LEU A 50 -0.653 -4.878 -1.029 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.660 -3.927 -0.377 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.668 -6.263 -0.378 1.00 0.00 C ATOM 0 H LEU A 50 1.581 -4.591 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.112 -6.850 -3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.905 -3.970 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.883 -5.402 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 50 0.339 -4.457 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.469 -3.873 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.558 -2.934 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.672 -4.296 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.496 -6.163 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.636 -6.734 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.117 -6.879 -0.816 1.00 0.00 H new ATOM 811 N GLU A 51 -0.240 -6.745 -5.513 1.00 0.00 N ATOM 812 CA GLU A 51 -0.367 -6.730 -6.960 1.00 0.00 C ATOM 813 C GLU A 51 -1.817 -6.452 -7.363 1.00 0.00 C ATOM 814 O GLU A 51 -2.699 -7.275 -7.125 1.00 0.00 O ATOM 815 CB GLU A 51 0.129 -8.043 -7.569 1.00 0.00 C ATOM 816 CG GLU A 51 1.471 -8.457 -6.961 1.00 0.00 C ATOM 817 CD GLU A 51 1.350 -9.794 -6.225 1.00 0.00 C ATOM 818 OE1 GLU A 51 1.166 -10.812 -6.927 1.00 0.00 O ATOM 819 OE2 GLU A 51 1.443 -9.767 -4.979 1.00 0.00 O ATOM 0 H GLU A 51 -0.366 -7.661 -5.083 1.00 0.00 H new ATOM 0 HA GLU A 51 0.259 -5.928 -7.351 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.608 -8.828 -7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.234 -7.931 -8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.221 -8.537 -7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.814 -7.687 -6.270 1.00 0.00 H new ATOM 826 N ASP A 52 -2.018 -5.290 -7.968 1.00 0.00 N ATOM 827 CA ASP A 52 -3.345 -4.895 -8.406 1.00 0.00 C ATOM 828 C ASP A 52 -4.000 -6.058 -9.151 1.00 0.00 C ATOM 829 O ASP A 52 -3.650 -6.344 -10.294 1.00 0.00 O ATOM 830 CB ASP A 52 -3.277 -3.701 -9.360 1.00 0.00 C ATOM 831 CG ASP A 52 -2.968 -2.357 -8.696 1.00 0.00 C ATOM 832 OD1 ASP A 52 -2.061 -2.344 -7.836 1.00 0.00 O ATOM 833 OD2 ASP A 52 -3.646 -1.374 -9.063 1.00 0.00 O ATOM 0 H ASP A 52 -1.284 -4.610 -8.165 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.923 -4.620 -7.524 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.515 -3.900 -10.113 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.229 -3.620 -9.884 1.00 0.00 H new ATOM 838 N GLY A 53 -4.940 -6.701 -8.472 1.00 0.00 N ATOM 839 CA GLY A 53 -5.647 -7.827 -9.055 1.00 0.00 C ATOM 840 C GLY A 53 -5.928 -8.902 -8.003 1.00 0.00 C ATOM 841 O GLY A 53 -6.736 -9.802 -8.230 1.00 0.00 O ATOM 0 H GLY A 53 -5.228 -6.462 -7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.586 -7.485 -9.491 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.055 -8.252 -9.866 1.00 0.00 H new ATOM 845 N ARG A 54 -5.245 -8.774 -6.875 1.00 0.00 N ATOM 846 CA ARG A 54 -5.412 -9.723 -5.787 1.00 0.00 C ATOM 847 C ARG A 54 -6.406 -9.181 -4.757 1.00 0.00 C ATOM 848 O ARG A 54 -6.532 -7.970 -4.589 1.00 0.00 O ATOM 849 CB ARG A 54 -4.076 -10.007 -5.096 1.00 0.00 C ATOM 850 CG ARG A 54 -3.331 -11.149 -5.791 1.00 0.00 C ATOM 851 CD ARG A 54 -2.703 -12.097 -4.769 1.00 0.00 C ATOM 852 NE ARG A 54 -1.886 -13.118 -5.461 1.00 0.00 N ATOM 853 CZ ARG A 54 -2.397 -14.162 -6.128 1.00 0.00 C ATOM 854 NH1 ARG A 54 -3.724 -14.329 -6.199 1.00 0.00 N ATOM 855 NH2 ARG A 54 -1.579 -15.040 -6.726 1.00 0.00 N ATOM 0 H ARG A 54 -4.575 -8.028 -6.691 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.794 -10.651 -6.212 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.460 -9.108 -5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.250 -10.264 -4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.020 -11.702 -6.429 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.555 -10.741 -6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.082 -11.534 -4.072 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.484 -12.581 -4.182 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.871 -13.021 -5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.347 -13.661 -5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.111 -15.124 -6.707 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.568 -14.913 -6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.967 -15.835 -7.234 1.00 0.00 H new ATOM 869 N THR A 55 -7.085 -10.106 -4.095 1.00 0.00 N ATOM 870 CA THR A 55 -8.064 -9.737 -3.086 1.00 0.00 C ATOM 871 C THR A 55 -7.456 -9.852 -1.687 1.00 0.00 C ATOM 872 O THR A 55 -6.568 -10.671 -1.456 1.00 0.00 O ATOM 873 CB THR A 55 -9.301 -10.615 -3.286 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.772 -11.923 -3.483 1.00 0.00 O ATOM 875 CG2 THR A 55 -10.032 -10.307 -4.593 1.00 0.00 C ATOM 0 H THR A 55 -6.977 -11.110 -4.237 1.00 0.00 H new ATOM 0 HA THR A 55 -8.367 -8.695 -3.189 1.00 0.00 H new ATOM 0 HB THR A 55 -9.983 -10.476 -2.447 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.507 -12.556 -3.619 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.902 -10.958 -4.686 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.356 -9.266 -4.592 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.360 -10.477 -5.434 1.00 0.00 H new ATOM 883 N LEU A 56 -7.960 -9.018 -0.789 1.00 0.00 N ATOM 884 CA LEU A 56 -7.477 -9.014 0.582 1.00 0.00 C ATOM 885 C LEU A 56 -7.762 -10.375 1.221 1.00 0.00 C ATOM 886 O LEU A 56 -7.044 -10.804 2.123 1.00 0.00 O ATOM 887 CB LEU A 56 -8.071 -7.836 1.356 1.00 0.00 C ATOM 888 CG LEU A 56 -7.909 -6.459 0.709 1.00 0.00 C ATOM 889 CD1 LEU A 56 -9.115 -5.567 1.010 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.591 -5.805 1.132 1.00 0.00 C ATOM 0 H LEU A 56 -8.697 -8.341 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.397 -8.869 0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.135 -8.023 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.612 -7.808 2.344 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.869 -6.592 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.975 -4.594 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.019 -6.033 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.212 -5.437 2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.501 -4.828 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.575 -5.686 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.757 -6.435 0.824 1.00 0.00 H new ATOM 902 N SER A 57 -8.811 -11.017 0.729 1.00 0.00 N ATOM 903 CA SER A 57 -9.200 -12.320 1.241 1.00 0.00 C ATOM 904 C SER A 57 -8.087 -13.337 0.979 1.00 0.00 C ATOM 905 O SER A 57 -7.591 -13.971 1.910 1.00 0.00 O ATOM 906 CB SER A 57 -10.510 -12.793 0.607 1.00 0.00 C ATOM 907 OG SER A 57 -10.891 -14.085 1.070 1.00 0.00 O ATOM 0 H SER A 57 -9.404 -10.659 -0.020 1.00 0.00 H new ATOM 0 HA SER A 57 -9.359 -12.232 2.316 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.301 -12.079 0.834 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.401 -12.814 -0.477 1.00 0.00 H new ATOM 0 HG SER A 57 -11.732 -14.350 0.643 1.00 0.00 H new ATOM 913 N ASP A 58 -7.729 -13.462 -0.290 1.00 0.00 N ATOM 914 CA ASP A 58 -6.684 -14.392 -0.685 1.00 0.00 C ATOM 915 C ASP A 58 -5.377 -14.008 0.011 1.00 0.00 C ATOM 916 O ASP A 58 -4.436 -14.800 0.053 1.00 0.00 O ATOM 917 CB ASP A 58 -6.447 -14.345 -2.195 1.00 0.00 C ATOM 918 CG ASP A 58 -6.082 -15.687 -2.834 1.00 0.00 C ATOM 919 OD1 ASP A 58 -4.958 -16.158 -2.559 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.935 -16.209 -3.584 1.00 0.00 O ATOM 0 H ASP A 58 -8.144 -12.935 -1.059 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.000 -15.396 -0.401 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.347 -13.963 -2.677 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.648 -13.633 -2.400 1.00 0.00 H new ATOM 925 N TYR A 59 -5.360 -12.794 0.542 1.00 0.00 N ATOM 926 CA TYR A 59 -4.183 -12.297 1.234 1.00 0.00 C ATOM 927 C TYR A 59 -4.321 -12.474 2.747 1.00 0.00 C ATOM 928 O TYR A 59 -3.340 -12.360 3.481 1.00 0.00 O ATOM 929 CB TYR A 59 -4.106 -10.803 0.913 1.00 0.00 C ATOM 930 CG TYR A 59 -3.109 -10.456 -0.196 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.858 -11.038 -0.205 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.461 -9.560 -1.184 1.00 0.00 C ATOM 933 CE1 TYR A 59 -0.919 -10.711 -1.248 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.522 -9.233 -2.226 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.298 -9.824 -2.207 1.00 0.00 C ATOM 936 OH TYR A 59 -0.412 -9.517 -3.191 1.00 0.00 O ATOM 0 H TYR A 59 -6.142 -12.140 0.507 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.293 -12.840 0.917 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.096 -10.453 0.620 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.831 -10.261 1.818 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.583 -11.738 0.570 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.440 -9.104 -1.176 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.063 -11.160 -1.268 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.785 -8.533 -3.006 1.00 0.00 H new ATOM 0 HH TYR A 59 0.142 -10.301 -3.389 1.00 0.00 H new ATOM 946 N ASN A 60 -5.546 -12.749 3.169 1.00 0.00 N ATOM 947 CA ASN A 60 -5.825 -12.943 4.582 1.00 0.00 C ATOM 948 C ASN A 60 -5.342 -11.722 5.365 1.00 0.00 C ATOM 949 O ASN A 60 -4.368 -11.805 6.114 1.00 0.00 O ATOM 950 CB ASN A 60 -5.094 -14.173 5.124 1.00 0.00 C ATOM 951 CG ASN A 60 -5.547 -14.497 6.549 1.00 0.00 C ATOM 952 OD1 ASN A 60 -4.910 -14.142 7.526 1.00 0.00 O ATOM 953 ND2 ASN A 60 -6.681 -15.188 6.612 1.00 0.00 N ATOM 0 H ASN A 60 -6.357 -12.842 2.557 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.900 -13.083 4.697 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.283 -15.028 4.475 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.019 -13.996 5.112 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.067 -15.452 7.518 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.165 -15.454 5.754 1.00 0.00 H new ATOM 960 N ILE A 61 -6.042 -10.615 5.166 1.00 0.00 N ATOM 961 CA ILE A 61 -5.697 -9.378 5.845 1.00 0.00 C ATOM 962 C ILE A 61 -6.412 -9.325 7.197 1.00 0.00 C ATOM 963 O ILE A 61 -7.555 -9.763 7.316 1.00 0.00 O ATOM 964 CB ILE A 61 -5.989 -8.175 4.947 1.00 0.00 C ATOM 965 CG1 ILE A 61 -5.295 -8.320 3.592 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.614 -6.866 5.646 1.00 0.00 C ATOM 967 CD1 ILE A 61 -3.783 -8.119 3.725 1.00 0.00 C ATOM 0 H ILE A 61 -6.847 -10.549 4.544 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.627 -9.342 6.049 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.062 -8.143 4.757 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.499 -9.308 3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.702 -7.591 2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.831 -6.026 4.986 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.192 -6.765 6.564 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.551 -6.873 5.886 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.314 -8.227 2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.582 -7.121 4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.375 -8.865 4.407 1.00 0.00 H new ATOM 979 N GLN A 62 -5.709 -8.786 8.182 1.00 0.00 N ATOM 980 CA GLN A 62 -6.263 -8.670 9.520 1.00 0.00 C ATOM 981 C GLN A 62 -6.885 -7.286 9.720 1.00 0.00 C ATOM 982 O GLN A 62 -6.392 -6.296 9.181 1.00 0.00 O ATOM 983 CB GLN A 62 -5.196 -8.949 10.581 1.00 0.00 C ATOM 984 CG GLN A 62 -4.084 -9.836 10.020 1.00 0.00 C ATOM 985 CD GLN A 62 -3.162 -10.333 11.135 1.00 0.00 C ATOM 986 OE1 GLN A 62 -3.490 -10.293 12.310 1.00 0.00 O ATOM 987 NE2 GLN A 62 -1.995 -10.801 10.704 1.00 0.00 N ATOM 0 H GLN A 62 -4.761 -8.425 8.080 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.047 -9.419 9.633 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.773 -8.008 10.933 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.653 -9.435 11.443 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.522 -10.687 9.499 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.504 -9.277 9.286 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.785 -10.805 9.706 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.310 -11.156 11.371 1.00 0.00 H new ATOM 996 N LYS A 63 -7.959 -7.262 10.496 1.00 0.00 N ATOM 997 CA LYS A 63 -8.654 -6.016 10.773 1.00 0.00 C ATOM 998 C LYS A 63 -7.644 -4.967 11.243 1.00 0.00 C ATOM 999 O LYS A 63 -6.806 -5.247 12.099 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.801 -6.250 11.757 1.00 0.00 C ATOM 1001 CG LYS A 63 -10.749 -7.338 11.247 1.00 0.00 C ATOM 1002 CD LYS A 63 -11.227 -8.231 12.393 1.00 0.00 C ATOM 1003 CE LYS A 63 -12.386 -9.122 11.946 1.00 0.00 C ATOM 1004 NZ LYS A 63 -12.332 -10.428 12.640 1.00 0.00 N ATOM 0 H LYS A 63 -8.365 -8.085 10.941 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.117 -5.628 9.866 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.399 -6.539 12.728 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.353 -5.322 11.905 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.607 -6.877 10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.242 -7.944 10.496 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.402 -8.850 12.745 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.542 -7.613 13.234 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.335 -8.629 12.159 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.341 -9.274 10.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.126 -11.021 12.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.434 -10.903 12.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.398 -10.278 13.667 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.756 -3.782 10.662 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.863 -2.690 11.011 1.00 0.00 C ATOM 1020 C GLU A 64 -5.405 -3.124 10.848 1.00 0.00 C ATOM 1021 O GLU A 64 -4.610 -3.002 11.779 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.133 -2.195 12.434 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.634 -2.048 12.688 1.00 0.00 C ATOM 1024 CD GLU A 64 -8.900 -1.158 13.904 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.022 -1.134 14.793 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -9.975 -0.519 13.915 1.00 0.00 O ATOM 0 H GLU A 64 -8.452 -3.554 9.952 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.052 -1.860 10.331 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.706 -2.894 13.153 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.639 -1.236 12.589 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.115 -1.621 11.808 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.077 -3.031 12.848 1.00 0.00 H new ATOM 1033 N SER A 65 -5.099 -3.620 9.659 1.00 0.00 N ATOM 1034 CA SER A 65 -3.750 -4.073 9.362 1.00 0.00 C ATOM 1035 C SER A 65 -2.829 -2.870 9.148 1.00 0.00 C ATOM 1036 O SER A 65 -3.299 -1.744 8.992 1.00 0.00 O ATOM 1037 CB SER A 65 -3.732 -4.981 8.130 1.00 0.00 C ATOM 1038 OG SER A 65 -4.109 -6.318 8.447 1.00 0.00 O ATOM 0 H SER A 65 -5.761 -3.718 8.890 1.00 0.00 H new ATOM 0 HA SER A 65 -3.389 -4.652 10.212 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.410 -4.582 7.376 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.733 -4.980 7.693 1.00 0.00 H new ATOM 0 HG SER A 65 -5.081 -6.413 8.362 1.00 0.00 H new ATOM 1044 N THR A 66 -1.534 -3.150 9.149 1.00 0.00 N ATOM 1045 CA THR A 66 -0.543 -2.104 8.957 1.00 0.00 C ATOM 1046 C THR A 66 0.086 -2.215 7.567 1.00 0.00 C ATOM 1047 O THR A 66 0.969 -3.042 7.345 1.00 0.00 O ATOM 1048 CB THR A 66 0.475 -2.203 10.095 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.195 -1.626 11.212 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.687 -1.295 9.876 1.00 0.00 C ATOM 0 H THR A 66 -1.148 -4.085 9.280 1.00 0.00 H new ATOM 0 HA THR A 66 -0.999 -1.115 8.995 1.00 0.00 H new ATOM 0 HB THR A 66 0.809 -3.236 10.195 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.394 -1.651 11.995 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.378 -1.403 10.712 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.190 -1.576 8.951 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.358 -0.258 9.810 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.392 -1.368 6.667 1.00 0.00 N ATOM 1059 CA LEU A 67 0.112 -1.361 5.305 1.00 0.00 C ATOM 1060 C LEU A 67 0.939 -0.093 5.078 1.00 0.00 C ATOM 1061 O LEU A 67 0.623 0.963 5.624 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.035 -1.533 4.307 1.00 0.00 C ATOM 1063 CG LEU A 67 -1.931 -2.755 4.520 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -2.825 -2.572 5.746 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.741 -3.065 3.259 1.00 0.00 C ATOM 0 H LEU A 67 -1.123 -0.682 6.855 1.00 0.00 H new ATOM 0 HA LEU A 67 0.776 -2.210 5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.658 -0.639 4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.612 -1.587 3.304 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.294 -3.618 4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.451 -3.455 5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.204 -2.435 6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.458 -1.695 5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.370 -3.938 3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.369 -2.209 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.062 -3.269 2.431 1.00 0.00 H new ATOM 1077 N HIS A 68 1.981 -0.241 4.274 1.00 0.00 N ATOM 1078 CA HIS A 68 2.855 0.880 3.969 1.00 0.00 C ATOM 1079 C HIS A 68 2.582 1.372 2.547 1.00 0.00 C ATOM 1080 O HIS A 68 2.898 0.685 1.576 1.00 0.00 O ATOM 1081 CB HIS A 68 4.321 0.502 4.195 1.00 0.00 C ATOM 1082 CG HIS A 68 4.659 0.180 5.631 1.00 0.00 C ATOM 1083 ND1 HIS A 68 4.981 1.152 6.561 1.00 0.00 N ATOM 1084 CD2 HIS A 68 4.719 -1.015 6.286 1.00 0.00 C ATOM 1085 CE1 HIS A 68 5.224 0.558 7.720 1.00 0.00 C ATOM 1086 NE2 HIS A 68 5.062 -0.785 7.547 1.00 0.00 N ATOM 0 H HIS A 68 2.240 -1.119 3.824 1.00 0.00 H new ATOM 0 HA HIS A 68 2.644 1.706 4.648 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.563 -0.360 3.574 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.953 1.324 3.859 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.521 -1.984 5.852 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.502 1.051 8.640 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.184 -1.496 8.268 1.00 0.00 H new ATOM 1094 N LEU A 69 1.996 2.557 2.468 1.00 0.00 N ATOM 1095 CA LEU A 69 1.676 3.150 1.180 1.00 0.00 C ATOM 1096 C LEU A 69 2.787 4.124 0.782 1.00 0.00 C ATOM 1097 O LEU A 69 2.761 5.292 1.166 1.00 0.00 O ATOM 1098 CB LEU A 69 0.285 3.785 1.213 1.00 0.00 C ATOM 1099 CG LEU A 69 0.024 4.884 0.181 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.358 4.400 -1.231 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -1.411 5.404 0.284 1.00 0.00 C ATOM 0 H LEU A 69 1.734 3.123 3.275 1.00 0.00 H new ATOM 0 HA LEU A 69 1.632 2.382 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.455 2.998 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.121 4.201 2.207 1.00 0.00 H new ATOM 0 HG LEU A 69 0.686 5.722 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.164 5.200 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.410 4.118 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.261 3.537 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.570 6.184 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.108 4.585 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.579 5.814 1.280 1.00 0.00 H new ATOM 1113 N VAL A 70 3.736 3.607 0.016 1.00 0.00 N ATOM 1114 CA VAL A 70 4.854 4.416 -0.439 1.00 0.00 C ATOM 1115 C VAL A 70 4.782 4.568 -1.960 1.00 0.00 C ATOM 1116 O VAL A 70 4.041 3.846 -2.626 1.00 0.00 O ATOM 1117 CB VAL A 70 6.172 3.803 0.038 1.00 0.00 C ATOM 1118 CG1 VAL A 70 6.581 2.624 -0.847 1.00 0.00 C ATOM 1119 CG2 VAL A 70 7.279 4.858 0.091 1.00 0.00 C ATOM 0 H VAL A 70 3.754 2.638 -0.301 1.00 0.00 H new ATOM 0 HA VAL A 70 4.801 5.416 -0.009 1.00 0.00 H new ATOM 0 HB VAL A 70 6.019 3.425 1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.521 2.207 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.807 1.857 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.707 2.967 -1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.205 4.397 0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.429 5.279 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.993 5.652 0.781 1.00 0.00 H new ATOM 1129 N LEU A 71 5.562 5.513 -2.466 1.00 0.00 N ATOM 1130 CA LEU A 71 5.596 5.769 -3.896 1.00 0.00 C ATOM 1131 C LEU A 71 6.625 4.847 -4.551 1.00 0.00 C ATOM 1132 O LEU A 71 7.416 4.203 -3.861 1.00 0.00 O ATOM 1133 CB LEU A 71 5.840 7.255 -4.168 1.00 0.00 C ATOM 1134 CG LEU A 71 7.241 7.775 -3.841 1.00 0.00 C ATOM 1135 CD1 LEU A 71 7.896 8.399 -5.074 1.00 0.00 C ATOM 1136 CD2 LEU A 71 7.203 8.746 -2.659 1.00 0.00 C ATOM 0 H LEU A 71 6.175 6.110 -1.911 1.00 0.00 H new ATOM 0 HA LEU A 71 4.630 5.540 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.639 7.449 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.116 7.833 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 71 7.859 6.928 -3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.891 8.761 -4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.977 7.650 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.288 9.232 -5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.212 9.101 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.564 9.594 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.806 8.236 -1.781 1.00 0.00 H new ATOM 1148 N ARG A 72 6.584 4.812 -5.874 1.00 0.00 N ATOM 1149 CA ARG A 72 7.504 3.979 -6.630 1.00 0.00 C ATOM 1150 C ARG A 72 8.742 4.783 -7.031 1.00 0.00 C ATOM 1151 O ARG A 72 8.714 6.013 -7.032 1.00 0.00 O ATOM 1152 CB ARG A 72 6.836 3.423 -7.890 1.00 0.00 C ATOM 1153 CG ARG A 72 5.952 2.220 -7.557 1.00 0.00 C ATOM 1154 CD ARG A 72 6.559 0.925 -8.104 1.00 0.00 C ATOM 1155 NE ARG A 72 5.588 -0.184 -7.975 1.00 0.00 N ATOM 1156 CZ ARG A 72 5.876 -1.468 -8.226 1.00 0.00 C ATOM 1157 NH1 ARG A 72 7.109 -1.813 -8.621 1.00 0.00 N ATOM 1158 NH2 ARG A 72 4.932 -2.407 -8.081 1.00 0.00 N ATOM 0 H ARG A 72 5.928 5.347 -6.443 1.00 0.00 H new ATOM 0 HA ARG A 72 7.798 3.147 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.235 4.201 -8.361 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.599 3.130 -8.611 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.831 2.141 -6.477 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.958 2.367 -7.979 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.836 1.057 -9.150 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.473 0.684 -7.561 1.00 0.00 H new ATOM 0 HE ARG A 72 4.640 0.043 -7.676 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.828 -1.098 -8.731 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.328 -2.791 -8.812 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.994 -2.144 -7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.151 -3.385 -8.272 1.00 0.00 H new ATOM 1172 N LEU A 73 9.799 4.055 -7.361 1.00 0.00 N ATOM 1173 CA LEU A 73 11.046 4.686 -7.762 1.00 0.00 C ATOM 1174 C LEU A 73 10.930 5.157 -9.213 1.00 0.00 C ATOM 1175 O LEU A 73 11.063 6.347 -9.496 1.00 0.00 O ATOM 1176 CB LEU A 73 12.227 3.746 -7.512 1.00 0.00 C ATOM 1177 CG LEU A 73 13.143 4.115 -6.344 1.00 0.00 C ATOM 1178 CD1 LEU A 73 13.111 3.034 -5.261 1.00 0.00 C ATOM 1179 CD2 LEU A 73 14.565 4.399 -6.830 1.00 0.00 C ATOM 0 H LEU A 73 9.818 3.035 -7.359 1.00 0.00 H new ATOM 0 HA LEU A 73 11.239 5.570 -7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.837 2.743 -7.339 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.829 3.702 -8.420 1.00 0.00 H new ATOM 0 HG LEU A 73 12.769 5.034 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.770 3.320 -4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.093 2.924 -4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.446 2.086 -5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 73 15.195 4.659 -5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.966 3.512 -7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 73 14.549 5.229 -7.537 1.00 0.00 H new ATOM 1191 N ARG A 74 10.683 4.199 -10.094 1.00 0.00 N ATOM 1192 CA ARG A 74 10.548 4.500 -11.509 1.00 0.00 C ATOM 1193 C ARG A 74 9.088 4.807 -11.849 1.00 0.00 C ATOM 1194 O ARG A 74 8.343 5.306 -11.009 1.00 0.00 O ATOM 1195 CB ARG A 74 11.031 3.331 -12.370 1.00 0.00 C ATOM 1196 CG ARG A 74 11.722 3.833 -13.639 1.00 0.00 C ATOM 1197 CD ARG A 74 11.239 3.060 -14.868 1.00 0.00 C ATOM 1198 NE ARG A 74 10.549 3.975 -15.804 1.00 0.00 N ATOM 1199 CZ ARG A 74 9.879 3.572 -16.892 1.00 0.00 C ATOM 1200 NH1 ARG A 74 9.805 2.266 -17.188 1.00 0.00 N ATOM 1201 NH2 ARG A 74 9.283 4.473 -17.684 1.00 0.00 N ATOM 0 H ARG A 74 10.573 3.213 -9.855 1.00 0.00 H new ATOM 0 HA ARG A 74 11.166 5.372 -11.723 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.721 2.713 -11.796 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.185 2.699 -12.638 1.00 0.00 H new ATOM 0 HG2 ARG A 74 11.520 4.896 -13.771 1.00 0.00 H new ATOM 0 HG3 ARG A 74 12.802 3.724 -13.537 1.00 0.00 H new ATOM 0 HD2 ARG A 74 12.086 2.588 -15.366 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.563 2.261 -14.563 1.00 0.00 H new ATOM 0 HE ARG A 74 10.586 4.975 -15.609 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.259 1.580 -16.585 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.295 1.959 -18.016 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.339 5.466 -17.459 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.773 4.166 -18.512 1.00 0.00 H new ATOM 1215 N GLY A 75 8.724 4.493 -13.084 1.00 0.00 N ATOM 1216 CA GLY A 75 7.367 4.729 -13.547 1.00 0.00 C ATOM 1217 C GLY A 75 6.809 3.496 -14.261 1.00 0.00 C ATOM 1218 O GLY A 75 7.025 2.369 -13.820 1.00 0.00 O ATOM 0 H GLY A 75 9.345 4.077 -13.778 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.729 4.983 -12.700 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.353 5.583 -14.224 1.00 0.00 H new ATOM 1222 N GLY A 76 6.104 3.754 -15.353 1.00 0.00 N ATOM 1223 CA GLY A 76 5.513 2.679 -16.133 1.00 0.00 C ATOM 1224 C GLY A 76 5.933 2.773 -17.601 1.00 0.00 C ATOM 1225 O GLY A 76 5.106 3.040 -18.471 1.00 0.00 O ATOM 0 H GLY A 76 5.929 4.691 -15.716 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.820 1.717 -15.724 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.427 2.725 -16.058 1.00 0.00 H new TER 1229 GLY A 76