USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 642 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 MET CE :methyl -170:sc= -5.18! (180deg=-0.0788) USER MOD Set 1.2: A -2 MET CE :methyl -115:sc= -6.22! (180deg=-2.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -63:sc= 0.146 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.807 F(o=-2.1,f=-0.81) USER MOD Single : A 9 ASN : amide:sc= -4.12 X(o=-4.1,f=-3.8!) USER MOD Single : A -1 THR OG1 : rot 180:sc= 0 USER MOD Single : A -3 HIS : no HD1:sc= -0.0263 X(o=-0.026,f=-0.0046) USER MOD Single : A -5 SER N :NH3+ -173:sc= 0 (180deg=-0.0295) USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN :FLIP amide:sc= -0.101 F(o=-2,f=-0.1) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -134:sc= 0.412 USER MOD Single : A 26 MET CE :methyl 149:sc= -13! (180deg=-14.7!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 0:sc=-0.00972 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.54) USER MOD Single : A 36 MET CE :methyl 127:sc= -0.118 (180deg=-0.676) USER MOD Single : A 37 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0306 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 159:sc= -0.112 (180deg=-0.59) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.22) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 60 ASN : amide:sc= -0.0594 X(o=-0.059,f=-0.0076) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.186 K(o=-0.19,f=-2.1) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -5 6.992 -6.082 -19.723 1.00 0.00 N ATOM 2 CA SER A -5 7.718 -6.279 -20.971 1.00 0.00 C ATOM 3 C SER A -5 8.691 -7.449 -20.854 1.00 0.00 C ATOM 4 O SER A -5 8.780 -8.288 -21.751 1.00 0.00 O ATOM 5 CB SER A -5 8.477 -5.007 -21.351 1.00 0.00 C ATOM 6 OG SER A -5 9.211 -5.189 -22.550 1.00 0.00 O ATOM 0 H1 SER A -5 6.254 -5.362 -19.860 1.00 0.00 H new ATOM 0 H2 SER A -5 6.551 -6.978 -19.433 1.00 0.00 H new ATOM 0 H3 SER A -5 7.652 -5.765 -18.984 1.00 0.00 H new ATOM 0 HA SER A -5 6.993 -6.508 -21.752 1.00 0.00 H new ATOM 0 HB2 SER A -5 7.774 -4.183 -21.473 1.00 0.00 H new ATOM 0 HB3 SER A -5 9.156 -4.730 -20.544 1.00 0.00 H new ATOM 0 HG SER A -5 9.686 -4.361 -22.772 1.00 0.00 H new ATOM 12 N ASP A -4 9.417 -7.498 -19.743 1.00 0.00 N ATOM 13 CA ASP A -4 10.383 -8.565 -19.507 1.00 0.00 C ATOM 14 C ASP A -4 9.824 -9.597 -18.533 1.00 0.00 C ATOM 15 O ASP A -4 8.853 -9.335 -17.823 1.00 0.00 O ATOM 16 CB ASP A -4 11.690 -7.987 -18.963 1.00 0.00 C ATOM 17 CG ASP A -4 12.752 -9.050 -18.757 1.00 0.00 C ATOM 18 OD1 ASP A -4 13.180 -9.661 -19.757 1.00 0.00 O ATOM 19 OD2 ASP A -4 13.153 -9.270 -17.595 1.00 0.00 O ATOM 0 H ASP A -4 9.355 -6.811 -18.991 1.00 0.00 H new ATOM 0 HA ASP A -4 10.582 -9.059 -20.458 1.00 0.00 H new ATOM 0 HB2 ASP A -4 12.065 -7.232 -19.654 1.00 0.00 H new ATOM 0 HB3 ASP A -4 11.495 -7.484 -18.016 1.00 0.00 H new ATOM 24 N HIS A -3 10.444 -10.773 -18.505 1.00 0.00 N ATOM 25 CA HIS A -3 10.008 -11.846 -17.618 1.00 0.00 C ATOM 26 C HIS A -3 10.049 -11.396 -16.161 1.00 0.00 C ATOM 27 O HIS A -3 10.977 -10.706 -15.740 1.00 0.00 O ATOM 28 CB HIS A -3 10.889 -13.082 -17.807 1.00 0.00 C ATOM 29 CG HIS A -3 10.843 -13.643 -19.195 1.00 0.00 C ATOM 30 ND1 HIS A -3 9.959 -14.630 -19.579 1.00 0.00 N ATOM 31 CD2 HIS A -3 11.576 -13.349 -20.294 1.00 0.00 C ATOM 32 CE1 HIS A -3 10.153 -14.920 -20.853 1.00 0.00 C ATOM 33 NE2 HIS A -3 11.129 -14.156 -21.310 1.00 0.00 N ATOM 0 H HIS A -3 11.249 -11.007 -19.086 1.00 0.00 H new ATOM 0 HA HIS A -3 8.979 -12.100 -17.873 1.00 0.00 H new ATOM 0 HB2 HIS A -3 11.919 -12.825 -17.562 1.00 0.00 H new ATOM 0 HB3 HIS A -3 10.576 -13.852 -17.102 1.00 0.00 H new ATOM 0 HD2 HIS A -3 12.366 -12.616 -20.359 1.00 0.00 H new ATOM 0 HE1 HIS A -3 9.607 -15.656 -21.424 1.00 0.00 H new ATOM 0 HE2 HIS A -3 11.492 -14.165 -22.263 1.00 0.00 H new ATOM 42 N MET A -2 9.036 -11.791 -15.396 1.00 0.00 N ATOM 43 CA MET A -2 8.957 -11.428 -13.986 1.00 0.00 C ATOM 44 C MET A -2 7.843 -12.202 -13.287 1.00 0.00 C ATOM 45 O MET A -2 6.966 -12.771 -13.937 1.00 0.00 O ATOM 46 CB MET A -2 8.721 -9.924 -13.836 1.00 0.00 C ATOM 47 CG MET A -2 7.616 -9.390 -14.733 1.00 0.00 C ATOM 48 SD MET A -2 5.993 -10.046 -14.302 1.00 0.00 S ATOM 49 CE MET A -2 5.772 -9.353 -12.665 1.00 0.00 C ATOM 0 H MET A -2 8.259 -12.362 -15.729 1.00 0.00 H new ATOM 0 HA MET A -2 9.906 -11.687 -13.516 1.00 0.00 H new ATOM 0 HB2 MET A -2 8.472 -9.705 -12.798 1.00 0.00 H new ATOM 0 HB3 MET A -2 9.647 -9.395 -14.060 1.00 0.00 H new ATOM 0 HG2 MET A -2 7.593 -8.302 -14.666 1.00 0.00 H new ATOM 0 HG3 MET A -2 7.842 -9.641 -15.769 1.00 0.00 H new ATOM 0 HE1 MET A -2 5.742 -10.158 -11.930 1.00 0.00 H new ATOM 0 HE2 MET A -2 6.602 -8.684 -12.438 1.00 0.00 H new ATOM 0 HE3 MET A -2 4.837 -8.795 -12.629 1.00 0.00 H new ATOM 59 N THR A -1 7.884 -12.219 -11.959 1.00 0.00 N ATOM 60 CA THR A -1 6.879 -12.923 -11.172 1.00 0.00 C ATOM 61 C THR A -1 6.191 -11.982 -10.190 1.00 0.00 C ATOM 62 O THR A -1 6.844 -11.181 -9.522 1.00 0.00 O ATOM 63 CB THR A -1 7.498 -14.098 -10.392 1.00 0.00 C ATOM 64 OG1 THR A -1 8.676 -13.663 -9.703 1.00 0.00 O ATOM 65 CG2 THR A -1 7.848 -15.245 -11.329 1.00 0.00 C ATOM 0 H THR A -1 8.603 -11.753 -11.405 1.00 0.00 H new ATOM 0 HA THR A -1 6.142 -13.311 -11.875 1.00 0.00 H new ATOM 0 HB THR A -1 6.764 -14.451 -9.668 1.00 0.00 H new ATOM 0 HG1 THR A -1 9.062 -14.416 -9.208 1.00 0.00 H new ATOM 0 HG21 THR A -1 8.284 -16.063 -10.756 1.00 0.00 H new ATOM 0 HG22 THR A -1 6.945 -15.594 -11.830 1.00 0.00 H new ATOM 0 HG23 THR A -1 8.566 -14.901 -12.073 1.00 0.00 H new ATOM 73 N MET A 1 4.869 -12.086 -10.106 1.00 0.00 N ATOM 74 CA MET A 1 4.092 -11.245 -9.202 1.00 0.00 C ATOM 75 C MET A 1 4.009 -11.871 -7.813 1.00 0.00 C ATOM 76 O MET A 1 2.993 -12.462 -7.448 1.00 0.00 O ATOM 77 CB MET A 1 2.685 -11.023 -9.759 1.00 0.00 C ATOM 78 CG MET A 1 2.670 -10.352 -11.123 1.00 0.00 C ATOM 79 SD MET A 1 1.000 -10.046 -11.729 1.00 0.00 S ATOM 80 CE MET A 1 0.928 -11.182 -13.112 1.00 0.00 C ATOM 0 H MET A 1 4.313 -12.744 -10.652 1.00 0.00 H new ATOM 0 HA MET A 1 4.597 -10.283 -9.118 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.176 -11.984 -9.830 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.117 -10.413 -9.057 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.210 -9.407 -11.064 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.202 -10.979 -11.838 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.048 -11.110 -13.592 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.706 -10.928 -13.832 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.082 -12.200 -12.755 1.00 0.00 H new ATOM 90 N SER A 2 5.085 -11.737 -7.043 1.00 0.00 N ATOM 91 CA SER A 2 5.134 -12.293 -5.696 1.00 0.00 C ATOM 92 C SER A 2 5.015 -11.190 -4.649 1.00 0.00 C ATOM 93 O SER A 2 5.838 -11.092 -3.737 1.00 0.00 O ATOM 94 CB SER A 2 6.436 -13.070 -5.490 1.00 0.00 C ATOM 95 OG SER A 2 6.400 -13.814 -4.285 1.00 0.00 O ATOM 0 H SER A 2 5.934 -11.249 -7.329 1.00 0.00 H new ATOM 0 HA SER A 2 4.291 -12.974 -5.579 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.599 -13.743 -6.332 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.277 -12.377 -5.468 1.00 0.00 H new ATOM 0 HG SER A 2 6.318 -13.201 -3.525 1.00 0.00 H new ATOM 101 N LEU A 3 3.985 -10.363 -4.785 1.00 0.00 N ATOM 102 CA LEU A 3 3.756 -9.266 -3.850 1.00 0.00 C ATOM 103 C LEU A 3 5.037 -8.470 -3.620 1.00 0.00 C ATOM 104 O LEU A 3 5.392 -8.164 -2.482 1.00 0.00 O ATOM 105 CB LEU A 3 3.231 -9.805 -2.519 1.00 0.00 C ATOM 106 CG LEU A 3 2.551 -8.786 -1.603 1.00 0.00 C ATOM 107 CD1 LEU A 3 1.076 -8.658 -1.950 1.00 0.00 C ATOM 108 CD2 LEU A 3 2.725 -9.181 -0.144 1.00 0.00 C ATOM 0 H LEU A 3 3.295 -10.430 -5.533 1.00 0.00 H new ATOM 0 HA LEU A 3 3.010 -8.601 -4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.521 -10.605 -2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.064 -10.252 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 3 3.025 -7.816 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.608 -7.929 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.973 -8.328 -2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.588 -9.625 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.235 -8.445 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.278 -10.161 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.787 -9.221 0.098 1.00 0.00 H new ATOM 120 N GLN A 4 5.725 -8.138 -4.708 1.00 0.00 N ATOM 121 CA GLN A 4 6.965 -7.376 -4.624 1.00 0.00 C ATOM 122 C GLN A 4 6.764 -5.950 -5.126 1.00 0.00 C ATOM 123 O GLN A 4 6.918 -4.989 -4.373 1.00 0.00 O ATOM 124 CB GLN A 4 8.066 -8.064 -5.433 1.00 0.00 C ATOM 125 CG GLN A 4 9.466 -7.806 -4.898 1.00 0.00 C ATOM 126 CD GLN A 4 9.580 -8.075 -3.411 1.00 0.00 C ATOM 127 OE1 GLN A 4 8.755 -8.985 -2.908 1.00 0.00 O flip ATOM 128 NE2 GLN A 4 10.402 -7.471 -2.721 1.00 0.00 N flip ATOM 0 H GLN A 4 5.445 -8.385 -5.657 1.00 0.00 H new ATOM 0 HA GLN A 4 7.265 -7.333 -3.577 1.00 0.00 H new ATOM 0 HB2 GLN A 4 7.882 -9.138 -5.442 1.00 0.00 H new ATOM 0 HB3 GLN A 4 8.013 -7.723 -6.467 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.177 -8.435 -5.433 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.743 -6.771 -5.099 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.017 -6.779 -3.149 1.00 0.00 H new ATOM 0 HE22 GLN A 4 10.468 -7.663 -1.721 1.00 0.00 H new ATOM 137 N MET A 5 6.420 -5.821 -6.403 1.00 0.00 N ATOM 138 CA MET A 5 6.197 -4.512 -7.005 1.00 0.00 C ATOM 139 C MET A 5 5.192 -3.703 -6.191 1.00 0.00 C ATOM 140 O MET A 5 5.282 -2.477 -6.118 1.00 0.00 O ATOM 141 CB MET A 5 5.698 -4.666 -8.443 1.00 0.00 C ATOM 142 CG MET A 5 6.731 -5.265 -9.384 1.00 0.00 C ATOM 143 SD MET A 5 6.668 -7.066 -9.429 1.00 0.00 S ATOM 144 CE MET A 5 5.350 -7.329 -10.614 1.00 0.00 C ATOM 0 H MET A 5 6.290 -6.606 -7.041 1.00 0.00 H new ATOM 0 HA MET A 5 7.147 -3.977 -7.013 1.00 0.00 H new ATOM 0 HB2 MET A 5 4.808 -5.296 -8.445 1.00 0.00 H new ATOM 0 HB3 MET A 5 5.397 -3.689 -8.821 1.00 0.00 H new ATOM 0 HG2 MET A 5 6.571 -4.875 -10.389 1.00 0.00 H new ATOM 0 HG3 MET A 5 7.727 -4.948 -9.074 1.00 0.00 H new ATOM 0 HE1 MET A 5 5.070 -8.382 -10.619 1.00 0.00 H new ATOM 0 HE2 MET A 5 4.486 -6.725 -10.337 1.00 0.00 H new ATOM 0 HE3 MET A 5 5.691 -7.040 -11.608 1.00 0.00 H new ATOM 154 N ILE A 6 4.237 -4.396 -5.580 1.00 0.00 N ATOM 155 CA ILE A 6 3.217 -3.741 -4.770 1.00 0.00 C ATOM 156 C ILE A 6 3.840 -3.022 -3.578 1.00 0.00 C ATOM 157 O ILE A 6 3.802 -1.794 -3.491 1.00 0.00 O ATOM 158 CB ILE A 6 2.172 -4.749 -4.259 1.00 0.00 C ATOM 159 CG1 ILE A 6 1.577 -5.539 -5.427 1.00 0.00 C ATOM 160 CG2 ILE A 6 1.076 -4.030 -3.487 1.00 0.00 C ATOM 161 CD1 ILE A 6 2.399 -6.747 -5.820 1.00 0.00 C ATOM 0 H ILE A 6 4.148 -5.411 -5.630 1.00 0.00 H new ATOM 0 HA ILE A 6 2.723 -3.012 -5.413 1.00 0.00 H new ATOM 0 HB ILE A 6 2.665 -5.450 -3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.572 -5.865 -5.160 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.480 -4.879 -6.289 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.345 -4.756 -3.132 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.513 -3.509 -2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.584 -3.309 -4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.918 -7.259 -6.654 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.397 -6.426 -6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.475 -7.427 -4.972 1.00 0.00 H new ATOM 173 N VAL A 7 4.413 -3.795 -2.662 1.00 0.00 N ATOM 174 CA VAL A 7 5.047 -3.232 -1.475 1.00 0.00 C ATOM 175 C VAL A 7 6.238 -2.358 -1.851 1.00 0.00 C ATOM 176 O VAL A 7 6.543 -1.381 -1.168 1.00 0.00 O ATOM 177 CB VAL A 7 5.519 -4.338 -0.513 1.00 0.00 C ATOM 178 CG1 VAL A 7 4.416 -4.695 0.472 1.00 0.00 C ATOM 179 CG2 VAL A 7 5.968 -5.565 -1.291 1.00 0.00 C ATOM 0 H VAL A 7 4.452 -4.813 -2.718 1.00 0.00 H new ATOM 0 HA VAL A 7 4.296 -2.622 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 7 6.372 -3.963 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.768 -5.478 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.147 -3.813 1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.542 -5.050 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.298 -6.336 -0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.136 -5.944 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.792 -5.296 -1.952 1.00 0.00 H new ATOM 189 N GLU A 8 6.908 -2.717 -2.942 1.00 0.00 N ATOM 190 CA GLU A 8 8.067 -1.964 -3.408 1.00 0.00 C ATOM 191 C GLU A 8 7.648 -0.600 -3.950 1.00 0.00 C ATOM 192 O GLU A 8 8.284 0.414 -3.666 1.00 0.00 O ATOM 193 CB GLU A 8 8.810 -2.749 -4.491 1.00 0.00 C ATOM 194 CG GLU A 8 9.656 -3.887 -3.946 1.00 0.00 C ATOM 195 CD GLU A 8 10.878 -4.167 -4.799 1.00 0.00 C ATOM 196 OE1 GLU A 8 10.755 -4.127 -6.041 1.00 0.00 O ATOM 197 OE2 GLU A 8 11.956 -4.427 -4.225 1.00 0.00 O ATOM 0 H GLU A 8 6.669 -3.523 -3.519 1.00 0.00 H new ATOM 0 HA GLU A 8 8.733 -1.809 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.085 -3.153 -5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.451 -2.066 -5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.973 -3.645 -2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.047 -4.789 -3.883 1.00 0.00 H new ATOM 204 N ASN A 9 6.574 -0.586 -4.733 1.00 0.00 N ATOM 205 CA ASN A 9 6.070 0.653 -5.316 1.00 0.00 C ATOM 206 C ASN A 9 5.842 1.708 -4.238 1.00 0.00 C ATOM 207 O ASN A 9 6.073 2.897 -4.459 1.00 0.00 O ATOM 208 CB ASN A 9 4.766 0.391 -6.073 1.00 0.00 C ATOM 209 CG ASN A 9 5.007 -0.143 -7.472 1.00 0.00 C ATOM 210 OD1 ASN A 9 4.400 -1.131 -7.884 1.00 0.00 O ATOM 211 ND2 ASN A 9 5.898 0.511 -8.209 1.00 0.00 N ATOM 0 H ASN A 9 6.036 -1.417 -4.978 1.00 0.00 H new ATOM 0 HA ASN A 9 6.819 1.028 -6.014 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.161 -0.323 -5.514 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.192 1.316 -6.134 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.103 0.198 -9.158 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.377 1.326 -7.826 1.00 0.00 H new ATOM 218 N VAL A 10 5.388 1.265 -3.070 1.00 0.00 N ATOM 219 CA VAL A 10 5.131 2.171 -1.956 1.00 0.00 C ATOM 220 C VAL A 10 6.368 2.995 -1.621 1.00 0.00 C ATOM 221 O VAL A 10 6.289 4.211 -1.445 1.00 0.00 O ATOM 222 CB VAL A 10 4.684 1.401 -0.699 1.00 0.00 C ATOM 223 CG1 VAL A 10 4.347 2.367 0.427 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.497 0.505 -1.017 1.00 0.00 C ATOM 0 H VAL A 10 5.190 0.284 -2.870 1.00 0.00 H new ATOM 0 HA VAL A 10 4.328 2.838 -2.269 1.00 0.00 H new ATOM 0 HB VAL A 10 5.508 0.769 -0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.033 1.805 1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.227 2.962 0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.539 3.027 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.195 -0.031 -0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.666 1.114 -1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.778 -0.211 -1.789 1.00 0.00 H new ATOM 234 N LYS A 11 7.513 2.326 -1.536 1.00 0.00 N ATOM 235 CA LYS A 11 8.770 2.996 -1.223 1.00 0.00 C ATOM 236 C LYS A 11 9.111 4.035 -2.287 1.00 0.00 C ATOM 237 O LYS A 11 9.635 5.106 -1.978 1.00 0.00 O ATOM 238 CB LYS A 11 9.903 1.974 -1.112 1.00 0.00 C ATOM 239 CG LYS A 11 9.640 0.884 -0.087 1.00 0.00 C ATOM 240 CD LYS A 11 9.037 1.451 1.188 1.00 0.00 C ATOM 241 CE LYS A 11 9.098 0.447 2.328 1.00 0.00 C ATOM 242 NZ LYS A 11 7.883 -0.414 2.375 1.00 0.00 N ATOM 0 H LYS A 11 7.596 1.320 -1.680 1.00 0.00 H new ATOM 0 HA LYS A 11 8.654 3.505 -0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.063 1.514 -2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.825 2.493 -0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.965 0.140 -0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.573 0.371 0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.571 2.358 1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.000 1.734 1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.983 -0.179 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.204 0.978 3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.963 -1.085 3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.041 0.181 2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.796 -0.940 1.482 1.00 0.00 H new ATOM 256 N LEU A 12 8.811 3.713 -3.540 1.00 0.00 N ATOM 257 CA LEU A 12 9.085 4.619 -4.650 1.00 0.00 C ATOM 258 C LEU A 12 8.143 5.818 -4.619 1.00 0.00 C ATOM 259 O LEU A 12 8.556 6.950 -4.868 1.00 0.00 O ATOM 260 CB LEU A 12 8.946 3.881 -5.983 1.00 0.00 C ATOM 261 CG LEU A 12 9.460 4.623 -7.217 1.00 0.00 C ATOM 262 CD1 LEU A 12 8.455 5.672 -7.667 1.00 0.00 C ATOM 263 CD2 LEU A 12 10.811 5.263 -6.931 1.00 0.00 C ATOM 0 H LEU A 12 8.378 2.831 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 12 10.108 4.981 -4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.477 2.932 -5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.893 3.646 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 12 9.586 3.901 -8.024 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.838 6.190 -8.546 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.510 5.188 -7.914 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.295 6.391 -6.864 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.161 5.787 -7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.711 5.971 -6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.530 4.490 -6.659 1.00 0.00 H new ATOM 275 N ALA A 13 6.877 5.561 -4.309 1.00 0.00 N ATOM 276 CA ALA A 13 5.877 6.620 -4.241 1.00 0.00 C ATOM 277 C ALA A 13 6.160 7.568 -3.080 1.00 0.00 C ATOM 278 O ALA A 13 6.184 8.787 -3.254 1.00 0.00 O ATOM 279 CB ALA A 13 4.484 6.023 -4.109 1.00 0.00 C ATOM 0 H ALA A 13 6.519 4.629 -4.101 1.00 0.00 H new ATOM 0 HA ALA A 13 5.928 7.194 -5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.748 6.825 -4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.275 5.392 -4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.430 5.424 -3.200 1.00 0.00 H new ATOM 285 N ARG A 14 6.374 7.002 -1.898 1.00 0.00 N ATOM 286 CA ARG A 14 6.653 7.797 -0.708 1.00 0.00 C ATOM 287 C ARG A 14 7.841 8.726 -0.943 1.00 0.00 C ATOM 288 O ARG A 14 7.880 9.841 -0.423 1.00 0.00 O ATOM 289 CB ARG A 14 6.934 6.885 0.487 1.00 0.00 C ATOM 290 CG ARG A 14 7.278 7.639 1.761 1.00 0.00 C ATOM 291 CD ARG A 14 7.057 6.778 2.995 1.00 0.00 C ATOM 292 NE ARG A 14 8.200 5.911 3.269 1.00 0.00 N ATOM 293 CZ ARG A 14 8.336 5.206 4.386 1.00 0.00 C ATOM 294 NH1 ARG A 14 7.406 5.265 5.329 1.00 0.00 N ATOM 295 NH2 ARG A 14 9.405 4.439 4.562 1.00 0.00 N ATOM 0 H ARG A 14 6.360 5.995 -1.738 1.00 0.00 H new ATOM 0 HA ARG A 14 5.774 8.405 -0.493 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.060 6.260 0.670 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.758 6.216 0.237 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.318 7.963 1.724 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.666 8.538 1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.874 7.420 3.857 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.164 6.168 2.856 1.00 0.00 H new ATOM 0 HE ARG A 14 8.934 5.843 2.564 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.583 5.853 5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.513 4.722 6.186 1.00 0.00 H new ATOM 0 HH21 ARG A 14 10.123 4.391 3.839 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.509 3.898 5.420 1.00 0.00 H new ATOM 309 N GLU A 15 8.806 8.258 -1.727 1.00 0.00 N ATOM 310 CA GLU A 15 9.995 9.047 -2.028 1.00 0.00 C ATOM 311 C GLU A 15 9.648 10.233 -2.924 1.00 0.00 C ATOM 312 O GLU A 15 10.222 11.314 -2.791 1.00 0.00 O ATOM 313 CB GLU A 15 11.055 8.175 -2.705 1.00 0.00 C ATOM 314 CG GLU A 15 12.349 8.913 -3.004 1.00 0.00 C ATOM 315 CD GLU A 15 13.439 7.993 -3.519 1.00 0.00 C ATOM 316 OE1 GLU A 15 13.719 6.974 -2.854 1.00 0.00 O ATOM 317 OE2 GLU A 15 14.012 8.293 -4.587 1.00 0.00 O ATOM 0 H GLU A 15 8.788 7.337 -2.165 1.00 0.00 H new ATOM 0 HA GLU A 15 10.395 9.428 -1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.273 7.320 -2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.648 7.780 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.157 9.691 -3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.697 9.411 -2.099 1.00 0.00 H new ATOM 324 N TYR A 16 8.707 10.021 -3.837 1.00 0.00 N ATOM 325 CA TYR A 16 8.285 11.071 -4.757 1.00 0.00 C ATOM 326 C TYR A 16 7.493 12.150 -4.026 1.00 0.00 C ATOM 327 O TYR A 16 7.528 13.322 -4.401 1.00 0.00 O ATOM 328 CB TYR A 16 7.440 10.478 -5.886 1.00 0.00 C ATOM 329 CG TYR A 16 8.254 9.761 -6.940 1.00 0.00 C ATOM 330 CD1 TYR A 16 9.318 8.941 -6.585 1.00 0.00 C ATOM 331 CD2 TYR A 16 7.959 9.903 -8.290 1.00 0.00 C ATOM 332 CE1 TYR A 16 10.064 8.284 -7.544 1.00 0.00 C ATOM 333 CE2 TYR A 16 8.699 9.249 -9.256 1.00 0.00 C ATOM 334 CZ TYR A 16 9.751 8.441 -8.878 1.00 0.00 C ATOM 335 OH TYR A 16 10.491 7.788 -9.836 1.00 0.00 O ATOM 0 H TYR A 16 8.222 9.132 -3.960 1.00 0.00 H new ATOM 0 HA TYR A 16 9.179 11.528 -5.182 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.718 9.781 -5.460 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.870 11.277 -6.360 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.566 8.815 -5.541 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.137 10.536 -8.590 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.888 7.651 -7.251 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.455 9.370 -10.301 1.00 0.00 H new ATOM 0 HH TYR A 16 10.139 8.005 -10.725 1.00 0.00 H new ATOM 345 N ALA A 17 6.780 11.746 -2.981 1.00 0.00 N ATOM 346 CA ALA A 17 5.980 12.677 -2.195 1.00 0.00 C ATOM 347 C ALA A 17 6.866 13.686 -1.471 1.00 0.00 C ATOM 348 O ALA A 17 6.508 14.856 -1.334 1.00 0.00 O ATOM 349 CB ALA A 17 5.116 11.920 -1.197 1.00 0.00 C ATOM 0 H ALA A 17 6.740 10.779 -2.658 1.00 0.00 H new ATOM 0 HA ALA A 17 5.331 13.225 -2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.524 12.628 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.450 11.243 -1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.754 11.345 -0.526 1.00 0.00 H new ATOM 355 N LEU A 18 8.024 13.225 -1.009 1.00 0.00 N ATOM 356 CA LEU A 18 8.961 14.087 -0.298 1.00 0.00 C ATOM 357 C LEU A 18 9.664 15.038 -1.262 1.00 0.00 C ATOM 358 O LEU A 18 9.662 16.254 -1.063 1.00 0.00 O ATOM 359 CB LEU A 18 9.996 13.243 0.448 1.00 0.00 C ATOM 360 CG LEU A 18 9.448 12.053 1.236 1.00 0.00 C ATOM 361 CD1 LEU A 18 10.454 11.596 2.281 1.00 0.00 C ATOM 362 CD2 LEU A 18 8.122 12.411 1.891 1.00 0.00 C ATOM 0 H LEU A 18 8.336 12.260 -1.114 1.00 0.00 H new ATOM 0 HA LEU A 18 8.397 14.679 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.722 12.871 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.536 13.892 1.137 1.00 0.00 H new ATOM 0 HG LEU A 18 9.277 11.231 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.047 10.748 2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.380 11.298 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.658 12.414 2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.747 11.552 2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.267 13.249 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.400 12.689 1.123 1.00 0.00 H new ATOM 374 N LEU A 19 10.263 14.478 -2.307 1.00 0.00 N ATOM 375 CA LEU A 19 10.968 15.276 -3.304 1.00 0.00 C ATOM 376 C LEU A 19 10.116 16.457 -3.758 1.00 0.00 C ATOM 377 O LEU A 19 10.632 17.540 -4.031 1.00 0.00 O ATOM 378 CB LEU A 19 11.343 14.410 -4.507 1.00 0.00 C ATOM 379 CG LEU A 19 12.696 13.703 -4.430 1.00 0.00 C ATOM 380 CD1 LEU A 19 12.969 13.225 -3.013 1.00 0.00 C ATOM 381 CD2 LEU A 19 12.746 12.538 -5.407 1.00 0.00 C ATOM 0 H LEU A 19 10.275 13.474 -2.486 1.00 0.00 H new ATOM 0 HA LEU A 19 11.878 15.664 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.568 13.655 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.334 15.038 -5.398 1.00 0.00 H new ATOM 0 HG LEU A 19 13.473 14.416 -4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.937 12.724 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.978 14.079 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.189 12.528 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.717 12.047 -5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.960 11.824 -5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.598 12.907 -6.422 1.00 0.00 H new ATOM 393 N GLY A 20 8.806 16.240 -3.834 1.00 0.00 N ATOM 394 CA GLY A 20 7.903 17.296 -4.253 1.00 0.00 C ATOM 395 C GLY A 20 6.832 16.799 -5.204 1.00 0.00 C ATOM 396 O GLY A 20 5.829 17.475 -5.428 1.00 0.00 O ATOM 0 H GLY A 20 8.355 15.352 -3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.430 17.735 -3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.475 18.088 -4.736 1.00 0.00 H new ATOM 400 N ASN A 21 7.045 15.614 -5.766 1.00 0.00 N ATOM 401 CA ASN A 21 6.091 15.028 -6.700 1.00 0.00 C ATOM 402 C ASN A 21 5.103 14.122 -5.972 1.00 0.00 C ATOM 403 O ASN A 21 5.326 12.919 -5.844 1.00 0.00 O ATOM 404 CB ASN A 21 6.826 14.233 -7.782 1.00 0.00 C ATOM 405 CG ASN A 21 6.078 14.222 -9.101 1.00 0.00 C ATOM 406 OD1 ASN A 21 4.758 14.354 -9.033 1.00 0.00 O flip ATOM 407 ND2 ASN A 21 6.679 14.096 -10.167 1.00 0.00 N flip ATOM 0 H ASN A 21 7.870 15.040 -5.591 1.00 0.00 H new ATOM 0 HA ASN A 21 5.535 15.840 -7.169 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.817 14.661 -7.933 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.970 13.208 -7.441 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.694 13.998 -10.172 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.162 14.090 -11.046 1.00 0.00 H new ATOM 414 N TYR A 22 4.010 14.710 -5.498 1.00 0.00 N ATOM 415 CA TYR A 22 2.988 13.957 -4.780 1.00 0.00 C ATOM 416 C TYR A 22 2.040 13.261 -5.753 1.00 0.00 C ATOM 417 O TYR A 22 1.668 12.105 -5.554 1.00 0.00 O ATOM 418 CB TYR A 22 2.196 14.884 -3.856 1.00 0.00 C ATOM 419 CG TYR A 22 3.047 15.935 -3.180 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.408 17.100 -3.847 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.492 15.764 -1.874 1.00 0.00 C ATOM 422 CE1 TYR A 22 4.186 18.063 -3.233 1.00 0.00 C ATOM 423 CE2 TYR A 22 4.268 16.722 -1.253 1.00 0.00 C ATOM 424 CZ TYR A 22 4.613 17.869 -1.936 1.00 0.00 C ATOM 425 OH TYR A 22 5.388 18.826 -1.321 1.00 0.00 O ATOM 0 H TYR A 22 3.809 15.705 -5.598 1.00 0.00 H new ATOM 0 HA TYR A 22 3.488 13.197 -4.180 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.414 15.378 -4.433 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.699 14.285 -3.093 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.075 17.255 -4.863 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.226 14.866 -1.336 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.458 18.962 -3.766 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.603 16.574 -0.237 1.00 0.00 H new ATOM 0 HH TYR A 22 5.603 18.537 -0.410 1.00 0.00 H new ATOM 435 N ASP A 23 1.655 13.975 -6.806 1.00 0.00 N ATOM 436 CA ASP A 23 0.753 13.427 -7.812 1.00 0.00 C ATOM 437 C ASP A 23 1.251 12.073 -8.308 1.00 0.00 C ATOM 438 O ASP A 23 0.458 11.173 -8.586 1.00 0.00 O ATOM 439 CB ASP A 23 0.616 14.396 -8.987 1.00 0.00 C ATOM 440 CG ASP A 23 -0.153 13.795 -10.147 1.00 0.00 C ATOM 441 OD1 ASP A 23 -1.320 13.399 -9.944 1.00 0.00 O ATOM 442 OD2 ASP A 23 0.413 13.721 -11.258 1.00 0.00 O ATOM 0 H ASP A 23 1.954 14.934 -6.985 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.225 13.288 -7.351 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.111 15.301 -8.650 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.608 14.692 -9.327 1.00 0.00 H new ATOM 447 N SER A 24 2.568 11.937 -8.419 1.00 0.00 N ATOM 448 CA SER A 24 3.172 10.695 -8.888 1.00 0.00 C ATOM 449 C SER A 24 3.022 9.591 -7.845 1.00 0.00 C ATOM 450 O SER A 24 2.974 8.408 -8.180 1.00 0.00 O ATOM 451 CB SER A 24 4.652 10.911 -9.208 1.00 0.00 C ATOM 452 OG SER A 24 5.165 9.847 -9.990 1.00 0.00 O ATOM 0 H SER A 24 3.238 12.672 -8.191 1.00 0.00 H new ATOM 0 HA SER A 24 2.653 10.388 -9.796 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.778 11.853 -9.742 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.220 10.992 -8.281 1.00 0.00 H new ATOM 0 HG SER A 24 6.029 9.561 -9.626 1.00 0.00 H new ATOM 458 N ALA A 25 2.948 9.988 -6.579 1.00 0.00 N ATOM 459 CA ALA A 25 2.802 9.034 -5.486 1.00 0.00 C ATOM 460 C ALA A 25 1.391 8.458 -5.446 1.00 0.00 C ATOM 461 O ALA A 25 1.195 7.293 -5.102 1.00 0.00 O ATOM 462 CB ALA A 25 3.143 9.695 -4.159 1.00 0.00 C ATOM 0 H ALA A 25 2.987 10.964 -6.285 1.00 0.00 H new ATOM 0 HA ALA A 25 3.497 8.212 -5.658 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.030 8.971 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.173 10.052 -4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.471 10.536 -3.988 1.00 0.00 H new ATOM 468 N MET A 26 0.410 9.283 -5.798 1.00 0.00 N ATOM 469 CA MET A 26 -0.984 8.855 -5.802 1.00 0.00 C ATOM 470 C MET A 26 -1.199 7.712 -6.790 1.00 0.00 C ATOM 471 O MET A 26 -1.714 6.654 -6.428 1.00 0.00 O ATOM 472 CB MET A 26 -1.900 10.028 -6.155 1.00 0.00 C ATOM 473 CG MET A 26 -2.257 10.900 -4.962 1.00 0.00 C ATOM 474 SD MET A 26 -0.887 11.946 -4.431 1.00 0.00 S ATOM 475 CE MET A 26 -0.026 10.837 -3.319 1.00 0.00 C ATOM 0 H MET A 26 0.555 10.251 -6.084 1.00 0.00 H new ATOM 0 HA MET A 26 -1.231 8.499 -4.802 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.414 10.643 -6.912 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.817 9.641 -6.600 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.110 11.528 -5.218 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.567 10.265 -4.132 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.041 11.059 -3.338 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.406 10.970 -2.306 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.188 9.807 -3.635 1.00 0.00 H new ATOM 485 N VAL A 27 -0.801 7.933 -8.039 1.00 0.00 N ATOM 486 CA VAL A 27 -0.950 6.921 -9.078 1.00 0.00 C ATOM 487 C VAL A 27 -0.354 5.589 -8.637 1.00 0.00 C ATOM 488 O VAL A 27 -0.937 4.529 -8.870 1.00 0.00 O ATOM 489 CB VAL A 27 -0.276 7.363 -10.391 1.00 0.00 C ATOM 490 CG1 VAL A 27 -0.392 8.869 -10.571 1.00 0.00 C ATOM 491 CG2 VAL A 27 1.181 6.926 -10.415 1.00 0.00 C ATOM 0 H VAL A 27 -0.373 8.803 -8.356 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.019 6.798 -9.250 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.790 6.881 -11.223 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.090 9.162 -11.504 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.444 9.152 -10.602 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.095 9.374 -9.737 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.642 7.246 -11.349 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.710 7.378 -9.576 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.237 5.840 -10.337 1.00 0.00 H new ATOM 501 N TYR A 28 0.809 5.649 -7.999 1.00 0.00 N ATOM 502 CA TYR A 28 1.485 4.447 -7.527 1.00 0.00 C ATOM 503 C TYR A 28 0.743 3.834 -6.343 1.00 0.00 C ATOM 504 O TYR A 28 0.482 2.631 -6.315 1.00 0.00 O ATOM 505 CB TYR A 28 2.926 4.770 -7.128 1.00 0.00 C ATOM 506 CG TYR A 28 3.919 4.600 -8.256 1.00 0.00 C ATOM 507 CD1 TYR A 28 4.076 5.584 -9.224 1.00 0.00 C ATOM 508 CD2 TYR A 28 4.701 3.455 -8.353 1.00 0.00 C ATOM 509 CE1 TYR A 28 4.981 5.432 -10.257 1.00 0.00 C ATOM 510 CE2 TYR A 28 5.610 3.296 -9.381 1.00 0.00 C ATOM 511 CZ TYR A 28 5.746 4.286 -10.330 1.00 0.00 C ATOM 512 OH TYR A 28 6.650 4.132 -11.356 1.00 0.00 O ATOM 0 H TYR A 28 1.304 6.518 -7.797 1.00 0.00 H new ATOM 0 HA TYR A 28 1.494 3.723 -8.341 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.972 5.797 -6.766 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.218 4.126 -6.298 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.480 6.483 -9.168 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.596 2.676 -7.612 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.089 6.206 -11.003 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.211 2.401 -9.441 1.00 0.00 H new ATOM 0 HH TYR A 28 7.109 3.271 -11.261 1.00 0.00 H new ATOM 522 N TYR A 29 0.407 4.671 -5.367 1.00 0.00 N ATOM 523 CA TYR A 29 -0.303 4.213 -4.179 1.00 0.00 C ATOM 524 C TYR A 29 -1.589 3.484 -4.560 1.00 0.00 C ATOM 525 O TYR A 29 -1.811 2.344 -4.154 1.00 0.00 O ATOM 526 CB TYR A 29 -0.626 5.396 -3.265 1.00 0.00 C ATOM 527 CG TYR A 29 0.504 5.764 -2.330 1.00 0.00 C ATOM 528 CD1 TYR A 29 1.034 4.830 -1.449 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.039 7.046 -2.326 1.00 0.00 C ATOM 530 CE1 TYR A 29 2.066 5.162 -0.592 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.072 7.386 -1.474 1.00 0.00 C ATOM 532 CZ TYR A 29 2.582 6.441 -0.608 1.00 0.00 C ATOM 533 OH TYR A 29 3.609 6.776 0.243 1.00 0.00 O ATOM 0 H TYR A 29 0.615 5.670 -5.376 1.00 0.00 H new ATOM 0 HA TYR A 29 0.344 3.516 -3.646 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.875 6.262 -3.879 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.511 5.158 -2.676 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.633 3.827 -1.434 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.641 7.790 -3.000 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.466 4.424 0.087 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.478 8.387 -1.486 1.00 0.00 H new ATOM 0 HH TYR A 29 3.850 5.997 0.787 1.00 0.00 H new ATOM 543 N GLN A 30 -2.430 4.152 -5.342 1.00 0.00 N ATOM 544 CA GLN A 30 -3.693 3.569 -5.778 1.00 0.00 C ATOM 545 C GLN A 30 -3.475 2.186 -6.383 1.00 0.00 C ATOM 546 O GLN A 30 -4.318 1.300 -6.251 1.00 0.00 O ATOM 547 CB GLN A 30 -4.376 4.483 -6.798 1.00 0.00 C ATOM 548 CG GLN A 30 -5.738 3.979 -7.249 1.00 0.00 C ATOM 549 CD GLN A 30 -6.836 4.294 -6.253 1.00 0.00 C ATOM 550 OE1 GLN A 30 -7.425 5.375 -6.282 1.00 0.00 O ATOM 551 NE2 GLN A 30 -7.118 3.349 -5.364 1.00 0.00 N ATOM 0 H GLN A 30 -2.260 5.097 -5.687 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.337 3.466 -4.904 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.491 5.476 -6.364 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.730 4.588 -7.669 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.986 4.427 -8.211 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.690 2.901 -7.402 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.605 2.468 -5.376 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.848 3.504 -4.669 1.00 0.00 H new ATOM 560 N GLY A 31 -2.336 2.009 -7.046 1.00 0.00 N ATOM 561 CA GLY A 31 -2.028 0.731 -7.662 1.00 0.00 C ATOM 562 C GLY A 31 -1.654 -0.328 -6.644 1.00 0.00 C ATOM 563 O GLY A 31 -2.131 -1.461 -6.712 1.00 0.00 O ATOM 0 H GLY A 31 -1.622 2.727 -7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.890 0.391 -8.236 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.206 0.859 -8.367 1.00 0.00 H new ATOM 567 N VAL A 32 -0.798 0.041 -5.696 1.00 0.00 N ATOM 568 CA VAL A 32 -0.360 -0.886 -4.659 1.00 0.00 C ATOM 569 C VAL A 32 -1.551 -1.561 -3.986 1.00 0.00 C ATOM 570 O VAL A 32 -1.671 -2.786 -3.995 1.00 0.00 O ATOM 571 CB VAL A 32 0.484 -0.171 -3.587 1.00 0.00 C ATOM 572 CG1 VAL A 32 0.824 -1.125 -2.452 1.00 0.00 C ATOM 573 CG2 VAL A 32 1.747 0.409 -4.204 1.00 0.00 C ATOM 0 H VAL A 32 -0.394 0.975 -5.625 1.00 0.00 H new ATOM 0 HA VAL A 32 0.253 -1.642 -5.149 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.102 0.651 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.421 -0.603 -1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.096 -1.488 -1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.392 -1.969 -2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.332 0.911 -3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.339 -0.394 -4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.477 1.127 -4.979 1.00 0.00 H new ATOM 583 N LEU A 33 -2.430 -0.753 -3.404 1.00 0.00 N ATOM 584 CA LEU A 33 -3.613 -1.271 -2.726 1.00 0.00 C ATOM 585 C LEU A 33 -4.386 -2.223 -3.632 1.00 0.00 C ATOM 586 O LEU A 33 -4.885 -3.256 -3.183 1.00 0.00 O ATOM 587 CB LEU A 33 -4.518 -0.119 -2.286 1.00 0.00 C ATOM 588 CG LEU A 33 -3.911 0.870 -1.291 1.00 0.00 C ATOM 589 CD1 LEU A 33 -4.514 2.254 -1.478 1.00 0.00 C ATOM 590 CD2 LEU A 33 -4.118 0.385 0.137 1.00 0.00 C ATOM 0 H LEU A 33 -2.346 0.263 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.285 -1.823 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.827 0.433 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.420 -0.541 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.839 0.934 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.070 2.944 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.314 2.604 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.591 2.207 -1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.680 1.101 0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.185 0.291 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.638 -0.585 0.265 1.00 0.00 H new ATOM 602 N ASP A 34 -4.480 -1.871 -4.909 1.00 0.00 N ATOM 603 CA ASP A 34 -5.190 -2.696 -5.880 1.00 0.00 C ATOM 604 C ASP A 34 -4.475 -4.028 -6.086 1.00 0.00 C ATOM 605 O ASP A 34 -5.104 -5.086 -6.088 1.00 0.00 O ATOM 606 CB ASP A 34 -5.316 -1.958 -7.213 1.00 0.00 C ATOM 607 CG ASP A 34 -6.552 -1.083 -7.277 1.00 0.00 C ATOM 608 OD1 ASP A 34 -7.060 -0.694 -6.204 1.00 0.00 O ATOM 609 OD2 ASP A 34 -7.011 -0.786 -8.399 1.00 0.00 O ATOM 0 H ASP A 34 -4.073 -1.020 -5.297 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.188 -2.896 -5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.430 -1.342 -7.369 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.346 -2.684 -8.025 1.00 0.00 H new ATOM 614 N GLN A 35 -3.159 -3.966 -6.262 1.00 0.00 N ATOM 615 CA GLN A 35 -2.360 -5.168 -6.471 1.00 0.00 C ATOM 616 C GLN A 35 -2.371 -6.053 -5.229 1.00 0.00 C ATOM 617 O GLN A 35 -2.396 -7.279 -5.329 1.00 0.00 O ATOM 618 CB GLN A 35 -0.922 -4.793 -6.832 1.00 0.00 C ATOM 619 CG GLN A 35 -0.802 -4.026 -8.139 1.00 0.00 C ATOM 620 CD GLN A 35 -1.530 -4.705 -9.283 1.00 0.00 C ATOM 621 OE1 GLN A 35 -2.731 -4.512 -9.472 1.00 0.00 O ATOM 622 NE2 GLN A 35 -0.804 -5.507 -10.053 1.00 0.00 N ATOM 0 H GLN A 35 -2.624 -3.098 -6.264 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.801 -5.727 -7.296 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.500 -4.191 -6.027 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.324 -5.702 -6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.202 -3.021 -8.004 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.251 -3.918 -8.397 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.189 -5.638 -9.860 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.239 -5.992 -10.838 1.00 0.00 H new ATOM 631 N MET A 36 -2.353 -5.422 -4.059 1.00 0.00 N ATOM 632 CA MET A 36 -2.362 -6.153 -2.797 1.00 0.00 C ATOM 633 C MET A 36 -3.576 -7.072 -2.710 1.00 0.00 C ATOM 634 O MET A 36 -3.445 -8.264 -2.436 1.00 0.00 O ATOM 635 CB MET A 36 -2.360 -5.178 -1.619 1.00 0.00 C ATOM 636 CG MET A 36 -1.025 -4.483 -1.407 1.00 0.00 C ATOM 637 SD MET A 36 -0.874 -3.754 0.236 1.00 0.00 S ATOM 638 CE MET A 36 -0.815 -5.226 1.255 1.00 0.00 C ATOM 0 H MET A 36 -2.332 -4.407 -3.959 1.00 0.00 H new ATOM 0 HA MET A 36 -1.461 -6.765 -2.754 1.00 0.00 H new ATOM 0 HB2 MET A 36 -3.131 -4.424 -1.780 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.627 -5.718 -0.711 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.218 -5.201 -1.557 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.902 -3.703 -2.159 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.063 -5.188 1.899 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.714 -5.279 1.869 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.759 -6.108 0.617 1.00 0.00 H new ATOM 648 N ASN A 37 -4.757 -6.509 -2.945 1.00 0.00 N ATOM 649 CA ASN A 37 -5.995 -7.279 -2.892 1.00 0.00 C ATOM 650 C ASN A 37 -5.922 -8.490 -3.816 1.00 0.00 C ATOM 651 O ASN A 37 -6.278 -9.604 -3.429 1.00 0.00 O ATOM 652 CB ASN A 37 -7.184 -6.398 -3.279 1.00 0.00 C ATOM 653 CG ASN A 37 -7.837 -5.747 -2.075 1.00 0.00 C ATOM 654 OD1 ASN A 37 -7.874 -6.322 -0.988 1.00 0.00 O ATOM 655 ND2 ASN A 37 -8.357 -4.540 -2.265 1.00 0.00 N ATOM 0 H ASN A 37 -4.883 -5.523 -3.174 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.131 -7.633 -1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.850 -5.624 -3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.922 -7.001 -3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.810 -4.052 -1.492 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.304 -4.101 -3.184 1.00 0.00 H new ATOM 662 N LYS A 38 -5.458 -8.266 -5.041 1.00 0.00 N ATOM 663 CA LYS A 38 -5.336 -9.338 -6.022 1.00 0.00 C ATOM 664 C LYS A 38 -4.563 -10.519 -5.444 1.00 0.00 C ATOM 665 O LYS A 38 -4.903 -11.676 -5.690 1.00 0.00 O ATOM 666 CB LYS A 38 -4.637 -8.826 -7.283 1.00 0.00 C ATOM 667 CG LYS A 38 -5.387 -7.705 -7.982 1.00 0.00 C ATOM 668 CD LYS A 38 -4.605 -7.165 -9.168 1.00 0.00 C ATOM 669 CE LYS A 38 -4.818 -8.018 -10.409 1.00 0.00 C ATOM 670 NZ LYS A 38 -6.028 -7.600 -11.169 1.00 0.00 N ATOM 0 H LYS A 38 -5.160 -7.351 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.340 -9.675 -6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.640 -8.475 -7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.508 -9.655 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.357 -8.071 -8.320 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.580 -6.899 -7.274 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.913 -6.140 -9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.543 -7.136 -8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.942 -7.946 -11.053 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.915 -9.064 -10.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.138 -8.206 -12.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.868 -7.692 -10.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.925 -6.610 -11.469 1.00 0.00 H new ATOM 684 N TYR A 39 -3.523 -10.220 -4.673 1.00 0.00 N ATOM 685 CA TYR A 39 -2.702 -11.257 -4.061 1.00 0.00 C ATOM 686 C TYR A 39 -3.503 -12.050 -3.033 1.00 0.00 C ATOM 687 O TYR A 39 -3.534 -13.281 -3.067 1.00 0.00 O ATOM 688 CB TYR A 39 -1.471 -10.637 -3.397 1.00 0.00 C ATOM 689 CG TYR A 39 -0.386 -11.640 -3.076 1.00 0.00 C ATOM 690 CD1 TYR A 39 -0.508 -12.503 -1.994 1.00 0.00 C ATOM 691 CD2 TYR A 39 0.761 -11.726 -3.856 1.00 0.00 C ATOM 692 CE1 TYR A 39 0.481 -13.420 -1.697 1.00 0.00 C ATOM 693 CE2 TYR A 39 1.754 -12.641 -3.567 1.00 0.00 C ATOM 694 CZ TYR A 39 1.610 -13.486 -2.486 1.00 0.00 C ATOM 695 OH TYR A 39 2.597 -14.399 -2.194 1.00 0.00 O ATOM 0 H TYR A 39 -3.229 -9.267 -4.457 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.378 -11.939 -4.847 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.062 -9.870 -4.054 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.777 -10.139 -2.477 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.391 -12.456 -1.375 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.878 -11.066 -4.703 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.371 -14.082 -0.851 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.639 -12.695 -4.184 1.00 0.00 H new ATOM 0 HH TYR A 39 3.323 -14.316 -2.847 1.00 0.00 H new ATOM 705 N LEU A 40 -4.149 -11.336 -2.118 1.00 0.00 N ATOM 706 CA LEU A 40 -4.952 -11.970 -1.079 1.00 0.00 C ATOM 707 C LEU A 40 -6.094 -12.777 -1.689 1.00 0.00 C ATOM 708 O LEU A 40 -6.495 -13.809 -1.151 1.00 0.00 O ATOM 709 CB LEU A 40 -5.512 -10.915 -0.123 1.00 0.00 C ATOM 710 CG LEU A 40 -4.642 -9.676 0.093 1.00 0.00 C ATOM 711 CD1 LEU A 40 -5.181 -8.839 1.243 1.00 0.00 C ATOM 712 CD2 LEU A 40 -3.198 -10.078 0.354 1.00 0.00 C ATOM 0 H LEU A 40 -4.132 -10.317 -2.075 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.308 -12.650 -0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.483 -10.592 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.685 -11.386 0.845 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.672 -9.072 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.549 -7.962 1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.199 -8.521 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.182 -9.434 2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.593 -9.184 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.150 -10.704 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.815 -10.635 -0.501 1.00 0.00 H new ATOM 724 N TYR A 41 -6.612 -12.300 -2.816 1.00 0.00 N ATOM 725 CA TYR A 41 -7.707 -12.977 -3.500 1.00 0.00 C ATOM 726 C TYR A 41 -7.214 -14.235 -4.208 1.00 0.00 C ATOM 727 O TYR A 41 -8.009 -15.066 -4.646 1.00 0.00 O ATOM 728 CB TYR A 41 -8.365 -12.035 -4.510 1.00 0.00 C ATOM 729 CG TYR A 41 -9.835 -12.312 -4.727 1.00 0.00 C ATOM 730 CD1 TYR A 41 -10.253 -13.377 -5.515 1.00 0.00 C ATOM 731 CD2 TYR A 41 -10.808 -11.508 -4.144 1.00 0.00 C ATOM 732 CE1 TYR A 41 -11.595 -13.633 -5.717 1.00 0.00 C ATOM 733 CE2 TYR A 41 -12.152 -11.757 -4.340 1.00 0.00 C ATOM 734 CZ TYR A 41 -12.541 -12.821 -5.127 1.00 0.00 C ATOM 735 OH TYR A 41 -13.879 -13.073 -5.325 1.00 0.00 O ATOM 0 H TYR A 41 -6.291 -11.447 -3.275 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.443 -13.269 -2.751 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.244 -11.007 -4.168 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.844 -12.117 -5.464 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.516 -14.016 -5.978 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.507 -10.674 -3.527 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -11.902 -14.465 -6.334 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.895 -11.122 -3.880 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.412 -12.409 -4.839 1.00 0.00 H new ATOM 745 N SER A 42 -5.896 -14.367 -4.314 1.00 0.00 N ATOM 746 CA SER A 42 -5.294 -15.522 -4.971 1.00 0.00 C ATOM 747 C SER A 42 -4.854 -16.562 -3.946 1.00 0.00 C ATOM 748 O SER A 42 -4.712 -17.743 -4.264 1.00 0.00 O ATOM 749 CB SER A 42 -4.097 -15.087 -5.819 1.00 0.00 C ATOM 750 OG SER A 42 -3.744 -16.090 -6.756 1.00 0.00 O ATOM 0 H SER A 42 -5.224 -13.689 -3.954 1.00 0.00 H new ATOM 0 HA SER A 42 -6.045 -15.972 -5.620 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.336 -14.162 -6.344 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.246 -14.875 -5.171 1.00 0.00 H new ATOM 0 HG SER A 42 -2.978 -15.787 -7.286 1.00 0.00 H new ATOM 756 N VAL A 43 -4.638 -16.114 -2.713 1.00 0.00 N ATOM 757 CA VAL A 43 -4.215 -17.005 -1.639 1.00 0.00 C ATOM 758 C VAL A 43 -5.375 -17.331 -0.706 1.00 0.00 C ATOM 759 O VAL A 43 -6.200 -16.471 -0.398 1.00 0.00 O ATOM 760 CB VAL A 43 -3.068 -16.388 -0.817 1.00 0.00 C ATOM 761 CG1 VAL A 43 -3.494 -15.055 -0.222 1.00 0.00 C ATOM 762 CG2 VAL A 43 -2.617 -17.348 0.273 1.00 0.00 C ATOM 0 H VAL A 43 -4.749 -15.139 -2.433 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.862 -17.923 -2.110 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.224 -16.208 -1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.671 -14.634 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.763 -14.368 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.354 -15.206 0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.806 -16.895 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.453 -17.562 0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.268 -18.276 -0.181 1.00 0.00 H new ATOM 772 N LYS A 44 -5.434 -18.581 -0.258 1.00 0.00 N ATOM 773 CA LYS A 44 -6.492 -19.023 0.642 1.00 0.00 C ATOM 774 C LYS A 44 -5.993 -19.082 2.082 1.00 0.00 C ATOM 775 O LYS A 44 -6.785 -19.083 3.025 1.00 0.00 O ATOM 776 CB LYS A 44 -7.013 -20.397 0.215 1.00 0.00 C ATOM 777 CG LYS A 44 -8.093 -20.334 -0.851 1.00 0.00 C ATOM 778 CD LYS A 44 -9.054 -21.506 -0.741 1.00 0.00 C ATOM 779 CE LYS A 44 -9.631 -21.883 -2.097 1.00 0.00 C ATOM 780 NZ LYS A 44 -8.707 -22.761 -2.867 1.00 0.00 N ATOM 0 H LYS A 44 -4.760 -19.306 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.306 -18.300 0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.180 -20.992 -0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.407 -20.915 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.645 -19.399 -0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.631 -20.332 -1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.535 -22.364 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.864 -21.251 -0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.584 -22.393 -1.957 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.834 -20.978 -2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.136 -22.996 -3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.806 -22.265 -3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.533 -23.636 -2.332 1.00 0.00 H new ATOM 794 N ASP A 45 -4.675 -19.129 2.245 1.00 0.00 N ATOM 795 CA ASP A 45 -4.069 -19.186 3.570 1.00 0.00 C ATOM 796 C ASP A 45 -4.570 -18.041 4.445 1.00 0.00 C ATOM 797 O ASP A 45 -3.956 -16.975 4.505 1.00 0.00 O ATOM 798 CB ASP A 45 -2.545 -19.132 3.461 1.00 0.00 C ATOM 799 CG ASP A 45 -1.947 -20.461 3.044 1.00 0.00 C ATOM 800 OD1 ASP A 45 -2.318 -20.967 1.964 1.00 0.00 O ATOM 801 OD2 ASP A 45 -1.106 -20.995 3.798 1.00 0.00 O ATOM 0 H ASP A 45 -4.006 -19.129 1.475 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.358 -20.129 4.035 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.262 -18.367 2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.125 -18.833 4.422 1.00 0.00 H new ATOM 806 N THR A 46 -5.691 -18.268 5.124 1.00 0.00 N ATOM 807 CA THR A 46 -6.275 -17.255 5.994 1.00 0.00 C ATOM 808 C THR A 46 -5.194 -16.476 6.735 1.00 0.00 C ATOM 809 O THR A 46 -5.139 -15.248 6.660 1.00 0.00 O ATOM 810 CB THR A 46 -7.234 -17.884 7.023 1.00 0.00 C ATOM 811 OG1 THR A 46 -6.594 -18.982 7.682 1.00 0.00 O ATOM 812 CG2 THR A 46 -8.510 -18.365 6.349 1.00 0.00 C ATOM 0 H THR A 46 -6.212 -19.144 5.088 1.00 0.00 H new ATOM 0 HA THR A 46 -6.835 -16.574 5.354 1.00 0.00 H new ATOM 0 HB THR A 46 -7.494 -17.122 7.758 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.210 -19.375 8.335 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.172 -18.805 7.095 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.010 -17.522 5.873 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.264 -19.113 5.596 1.00 0.00 H new ATOM 820 N HIS A 47 -4.336 -17.197 7.449 1.00 0.00 N ATOM 821 CA HIS A 47 -3.254 -16.572 8.202 1.00 0.00 C ATOM 822 C HIS A 47 -2.400 -15.690 7.296 1.00 0.00 C ATOM 823 O HIS A 47 -1.896 -14.650 7.721 1.00 0.00 O ATOM 824 CB HIS A 47 -2.383 -17.639 8.864 1.00 0.00 C ATOM 825 CG HIS A 47 -2.905 -18.101 10.190 1.00 0.00 C ATOM 826 ND1 HIS A 47 -2.300 -17.786 11.388 1.00 0.00 N ATOM 827 CD2 HIS A 47 -3.983 -18.858 10.502 1.00 0.00 C ATOM 828 CE1 HIS A 47 -2.982 -18.330 12.380 1.00 0.00 C ATOM 829 NE2 HIS A 47 -4.009 -18.985 11.869 1.00 0.00 N ATOM 0 H HIS A 47 -4.369 -18.214 7.522 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.697 -15.945 8.976 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.303 -18.496 8.196 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.376 -17.243 8.997 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.691 -19.283 9.806 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.741 -18.252 13.430 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.708 -19.501 12.403 1.00 0.00 H new ATOM 838 N LEU A 48 -2.240 -16.114 6.047 1.00 0.00 N ATOM 839 CA LEU A 48 -1.445 -15.363 5.081 1.00 0.00 C ATOM 840 C LEU A 48 -2.167 -14.089 4.655 1.00 0.00 C ATOM 841 O LEU A 48 -1.543 -13.047 4.454 1.00 0.00 O ATOM 842 CB LEU A 48 -1.146 -16.228 3.855 1.00 0.00 C ATOM 843 CG LEU A 48 -0.140 -15.654 2.858 1.00 0.00 C ATOM 844 CD1 LEU A 48 0.501 -16.768 2.044 1.00 0.00 C ATOM 845 CD2 LEU A 48 -0.814 -14.642 1.942 1.00 0.00 C ATOM 0 H LEU A 48 -2.650 -16.973 5.680 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.506 -15.084 5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.776 -17.194 4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.083 -16.414 3.329 1.00 0.00 H new ATOM 0 HG LEU A 48 0.644 -15.143 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.214 -16.340 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.019 -17.455 2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.271 -17.308 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.082 -14.244 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.619 -15.129 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.224 -13.827 2.539 1.00 0.00 H new ATOM 857 N ARG A 49 -3.487 -14.179 4.521 1.00 0.00 N ATOM 858 CA ARG A 49 -4.294 -13.034 4.119 1.00 0.00 C ATOM 859 C ARG A 49 -4.407 -12.023 5.257 1.00 0.00 C ATOM 860 O ARG A 49 -4.150 -10.834 5.070 1.00 0.00 O ATOM 861 CB ARG A 49 -5.689 -13.491 3.689 1.00 0.00 C ATOM 862 CG ARG A 49 -5.748 -14.951 3.268 1.00 0.00 C ATOM 863 CD ARG A 49 -7.082 -15.291 2.623 1.00 0.00 C ATOM 864 NE ARG A 49 -8.149 -15.428 3.611 1.00 0.00 N ATOM 865 CZ ARG A 49 -8.859 -14.404 4.073 1.00 0.00 C ATOM 866 NH1 ARG A 49 -8.617 -13.175 3.638 1.00 0.00 N ATOM 867 NH2 ARG A 49 -9.814 -14.609 4.971 1.00 0.00 N ATOM 0 H ARG A 49 -4.019 -15.033 4.685 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.801 -12.552 3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.385 -13.331 4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.027 -12.869 2.860 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.940 -15.162 2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.590 -15.588 4.138 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.348 -14.512 1.908 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.987 -16.220 2.061 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.361 -16.361 3.966 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.884 -13.014 2.947 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.164 -12.391 3.994 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.004 -15.553 5.307 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.358 -13.822 5.325 1.00 0.00 H new ATOM 881 N GLN A 50 -4.793 -12.505 6.434 1.00 0.00 N ATOM 882 CA GLN A 50 -4.941 -11.643 7.600 1.00 0.00 C ATOM 883 C GLN A 50 -3.662 -10.856 7.861 1.00 0.00 C ATOM 884 O GLN A 50 -3.704 -9.721 8.338 1.00 0.00 O ATOM 885 CB GLN A 50 -5.303 -12.475 8.832 1.00 0.00 C ATOM 886 CG GLN A 50 -4.105 -13.144 9.488 1.00 0.00 C ATOM 887 CD GLN A 50 -4.422 -13.687 10.867 1.00 0.00 C ATOM 888 OE1 GLN A 50 -3.767 -13.340 11.850 1.00 0.00 O ATOM 889 NE2 GLN A 50 -5.432 -14.545 10.947 1.00 0.00 N ATOM 0 H GLN A 50 -5.009 -13.487 6.605 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.746 -10.936 7.398 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.795 -11.833 9.562 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.024 -13.240 8.544 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.755 -13.958 8.853 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.289 -12.426 9.564 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.948 -14.805 10.106 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.692 -14.944 11.849 1.00 0.00 H new ATOM 898 N LYS A 51 -2.523 -11.465 7.546 1.00 0.00 N ATOM 899 CA LYS A 51 -1.230 -10.821 7.745 1.00 0.00 C ATOM 900 C LYS A 51 -1.112 -9.563 6.891 1.00 0.00 C ATOM 901 O LYS A 51 -0.777 -8.490 7.394 1.00 0.00 O ATOM 902 CB LYS A 51 -0.097 -11.791 7.403 1.00 0.00 C ATOM 903 CG LYS A 51 1.269 -11.320 7.872 1.00 0.00 C ATOM 904 CD LYS A 51 1.554 -11.766 9.296 1.00 0.00 C ATOM 905 CE LYS A 51 2.728 -11.006 9.894 1.00 0.00 C ATOM 906 NZ LYS A 51 2.452 -9.546 9.992 1.00 0.00 N ATOM 0 H LYS A 51 -2.470 -12.404 7.152 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.151 -10.535 8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.312 -12.760 7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.070 -11.939 6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.038 -11.712 7.206 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.320 -10.233 7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.668 -11.611 9.911 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.767 -12.835 9.308 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.949 -11.401 10.886 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.615 -11.168 9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.084 -9.120 10.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.617 -9.099 9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.463 -9.398 10.277 1.00 0.00 H new ATOM 920 N TRP A 52 -1.389 -9.701 5.600 1.00 0.00 N ATOM 921 CA TRP A 52 -1.315 -8.574 4.677 1.00 0.00 C ATOM 922 C TRP A 52 -2.474 -7.609 4.902 1.00 0.00 C ATOM 923 O TRP A 52 -2.322 -6.398 4.746 1.00 0.00 O ATOM 924 CB TRP A 52 -1.323 -9.071 3.231 1.00 0.00 C ATOM 925 CG TRP A 52 -0.072 -9.803 2.848 1.00 0.00 C ATOM 926 CD1 TRP A 52 0.014 -11.063 2.328 1.00 0.00 C ATOM 927 CD2 TRP A 52 1.271 -9.319 2.956 1.00 0.00 C ATOM 928 NE1 TRP A 52 1.330 -11.392 2.107 1.00 0.00 N ATOM 929 CE2 TRP A 52 2.121 -10.338 2.483 1.00 0.00 C ATOM 930 CE3 TRP A 52 1.839 -8.123 3.404 1.00 0.00 C ATOM 931 CZ2 TRP A 52 3.505 -10.196 2.447 1.00 0.00 C ATOM 932 CZ3 TRP A 52 3.213 -7.984 3.368 1.00 0.00 C ATOM 933 CH2 TRP A 52 4.034 -9.015 2.892 1.00 0.00 C ATOM 0 H TRP A 52 -1.667 -10.582 5.168 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.382 -8.043 4.866 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.180 -9.729 3.085 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.457 -8.220 2.563 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.828 -11.706 2.121 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.664 -12.277 1.725 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.215 -7.322 3.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.139 -10.990 2.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.662 -7.064 3.713 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.105 -8.875 2.876 1.00 0.00 H new ATOM 944 N GLN A 53 -3.629 -8.154 5.270 1.00 0.00 N ATOM 945 CA GLN A 53 -4.813 -7.339 5.516 1.00 0.00 C ATOM 946 C GLN A 53 -4.537 -6.286 6.585 1.00 0.00 C ATOM 947 O GLN A 53 -5.108 -5.196 6.557 1.00 0.00 O ATOM 948 CB GLN A 53 -5.986 -8.222 5.943 1.00 0.00 C ATOM 949 CG GLN A 53 -7.195 -7.437 6.426 1.00 0.00 C ATOM 950 CD GLN A 53 -8.243 -8.319 7.074 1.00 0.00 C ATOM 951 OE1 GLN A 53 -8.223 -8.541 8.285 1.00 0.00 O ATOM 952 NE2 GLN A 53 -9.169 -8.829 6.269 1.00 0.00 N ATOM 0 H GLN A 53 -3.770 -9.155 5.404 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.071 -6.829 4.588 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.283 -8.849 5.102 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.656 -8.890 6.738 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.870 -6.680 7.140 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.641 -6.909 5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.149 -8.619 5.271 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.900 -9.430 6.649 1.00 0.00 H new ATOM 961 N GLN A 54 -3.660 -6.621 7.525 1.00 0.00 N ATOM 962 CA GLN A 54 -3.310 -5.705 8.604 1.00 0.00 C ATOM 963 C GLN A 54 -2.475 -4.541 8.080 1.00 0.00 C ATOM 964 O GLN A 54 -2.674 -3.392 8.476 1.00 0.00 O ATOM 965 CB GLN A 54 -2.545 -6.444 9.702 1.00 0.00 C ATOM 966 CG GLN A 54 -2.245 -5.585 10.920 1.00 0.00 C ATOM 967 CD GLN A 54 -3.488 -5.257 11.723 1.00 0.00 C ATOM 968 OE1 GLN A 54 -4.292 -6.137 12.031 1.00 0.00 O ATOM 969 NE2 GLN A 54 -3.653 -3.985 12.066 1.00 0.00 N ATOM 0 H GLN A 54 -3.179 -7.520 7.562 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.234 -5.306 9.022 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.124 -7.313 10.015 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.607 -6.817 9.291 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.531 -6.104 11.559 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.770 -4.658 10.598 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.961 -3.288 11.789 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.471 -3.704 12.606 1.00 0.00 H new ATOM 978 N VAL A 55 -1.538 -4.846 7.188 1.00 0.00 N ATOM 979 CA VAL A 55 -0.672 -3.826 6.610 1.00 0.00 C ATOM 980 C VAL A 55 -1.430 -2.969 5.602 1.00 0.00 C ATOM 981 O VAL A 55 -1.173 -1.772 5.472 1.00 0.00 O ATOM 982 CB VAL A 55 0.551 -4.455 5.915 1.00 0.00 C ATOM 983 CG1 VAL A 55 1.370 -3.388 5.207 1.00 0.00 C ATOM 984 CG2 VAL A 55 1.403 -5.213 6.922 1.00 0.00 C ATOM 0 H VAL A 55 -1.359 -5.792 6.850 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.330 -3.198 7.433 1.00 0.00 H new ATOM 0 HB VAL A 55 0.198 -5.163 5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.229 -3.851 4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.753 -2.894 4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.716 -2.653 5.934 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.263 -5.651 6.415 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.749 -4.527 7.695 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.809 -6.005 7.378 1.00 0.00 H new ATOM 994 N TRP A 56 -2.364 -3.589 4.891 1.00 0.00 N ATOM 995 CA TRP A 56 -3.161 -2.883 3.894 1.00 0.00 C ATOM 996 C TRP A 56 -3.799 -1.634 4.493 1.00 0.00 C ATOM 997 O TRP A 56 -3.968 -0.625 3.809 1.00 0.00 O ATOM 998 CB TRP A 56 -4.244 -3.804 3.331 1.00 0.00 C ATOM 999 CG TRP A 56 -4.924 -3.248 2.117 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -4.679 -3.581 0.815 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -5.960 -2.260 2.092 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -5.499 -2.859 -0.018 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -6.295 -2.042 0.741 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -6.638 -1.539 3.078 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -7.277 -1.133 0.355 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -7.612 -0.637 2.694 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -7.925 -0.441 1.342 1.00 0.00 C ATOM 0 H TRP A 56 -2.589 -4.579 4.986 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.498 -2.577 3.085 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.798 -4.766 3.080 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -4.990 -3.990 4.103 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.948 -4.306 0.488 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.513 -2.921 -1.036 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.405 -1.684 4.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.519 -0.980 -0.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -8.141 -0.074 3.448 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.692 0.270 1.074 1.00 0.00 H new ATOM 1018 N GLN A 57 -4.150 -1.709 5.772 1.00 0.00 N ATOM 1019 CA GLN A 57 -4.770 -0.584 6.461 1.00 0.00 C ATOM 1020 C GLN A 57 -3.825 0.613 6.508 1.00 0.00 C ATOM 1021 O GLN A 57 -4.254 1.759 6.372 1.00 0.00 O ATOM 1022 CB GLN A 57 -5.172 -0.986 7.881 1.00 0.00 C ATOM 1023 CG GLN A 57 -6.469 -1.778 7.945 1.00 0.00 C ATOM 1024 CD GLN A 57 -6.694 -2.421 9.299 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -5.873 -2.288 10.206 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -7.812 -3.123 9.443 1.00 0.00 N ATOM 0 H GLN A 57 -4.016 -2.537 6.352 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.663 -0.298 5.905 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.371 -1.580 8.322 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.274 -0.087 8.489 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.305 -1.117 7.717 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.456 -2.552 7.177 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.465 -3.207 8.664 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.018 -3.578 10.332 1.00 0.00 H new ATOM 1035 N GLU A 58 -2.539 0.338 6.701 1.00 0.00 N ATOM 1036 CA GLU A 58 -1.535 1.394 6.767 1.00 0.00 C ATOM 1037 C GLU A 58 -1.255 1.965 5.380 1.00 0.00 C ATOM 1038 O GLU A 58 -0.932 3.145 5.237 1.00 0.00 O ATOM 1039 CB GLU A 58 -0.240 0.858 7.381 1.00 0.00 C ATOM 1040 CG GLU A 58 -0.309 0.679 8.888 1.00 0.00 C ATOM 1041 CD GLU A 58 -0.335 2.000 9.632 1.00 0.00 C ATOM 1042 OE1 GLU A 58 0.645 2.765 9.516 1.00 0.00 O ATOM 1043 OE2 GLU A 58 -1.335 2.269 10.330 1.00 0.00 O ATOM 0 H GLU A 58 -2.168 -0.605 6.814 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.925 2.193 7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.001 -0.100 6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.575 1.541 7.142 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.201 0.106 9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.550 0.096 9.221 1.00 0.00 H new ATOM 1050 N ILE A 59 -1.381 1.121 4.362 1.00 0.00 N ATOM 1051 CA ILE A 59 -1.142 1.541 2.987 1.00 0.00 C ATOM 1052 C ILE A 59 -2.129 2.624 2.564 1.00 0.00 C ATOM 1053 O ILE A 59 -1.760 3.586 1.892 1.00 0.00 O ATOM 1054 CB ILE A 59 -1.248 0.356 2.009 1.00 0.00 C ATOM 1055 CG1 ILE A 59 -0.347 -0.793 2.467 1.00 0.00 C ATOM 1056 CG2 ILE A 59 -0.878 0.797 0.601 1.00 0.00 C ATOM 1057 CD1 ILE A 59 1.121 -0.561 2.183 1.00 0.00 C ATOM 0 H ILE A 59 -1.647 0.142 4.463 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.129 1.941 2.951 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.279 0.003 1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.482 -0.945 3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.664 -1.711 1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.958 -0.051 -0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.556 1.587 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.145 1.172 0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.699 -1.416 2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.269 -0.439 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.454 0.339 2.700 1.00 0.00 H new ATOM 1069 N ASN A 60 -3.385 2.461 2.965 1.00 0.00 N ATOM 1070 CA ASN A 60 -4.426 3.426 2.629 1.00 0.00 C ATOM 1071 C ASN A 60 -4.157 4.771 3.297 1.00 0.00 C ATOM 1072 O ASN A 60 -4.069 5.801 2.629 1.00 0.00 O ATOM 1073 CB ASN A 60 -5.797 2.897 3.055 1.00 0.00 C ATOM 1074 CG ASN A 60 -6.765 4.013 3.402 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -7.288 4.692 2.519 1.00 0.00 O ATOM 1076 ND2 ASN A 60 -7.006 4.206 4.693 1.00 0.00 N ATOM 0 H ASN A 60 -3.707 1.670 3.523 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.419 3.569 1.549 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.216 2.293 2.250 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.678 2.241 3.918 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.648 4.942 4.988 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.549 3.618 5.390 1.00 0.00 H new ATOM 1083 N VAL A 61 -4.028 4.754 4.619 1.00 0.00 N ATOM 1084 CA VAL A 61 -3.767 5.971 5.378 1.00 0.00 C ATOM 1085 C VAL A 61 -2.487 6.650 4.905 1.00 0.00 C ATOM 1086 O VAL A 61 -2.408 7.876 4.848 1.00 0.00 O ATOM 1087 CB VAL A 61 -3.654 5.679 6.886 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -2.324 5.012 7.203 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -3.822 6.959 7.690 1.00 0.00 C ATOM 0 H VAL A 61 -4.100 3.910 5.187 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.612 6.638 5.207 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.453 4.993 7.166 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.262 4.813 8.273 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.248 4.073 6.655 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.507 5.671 6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.739 6.734 8.753 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.046 7.670 7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.802 7.391 7.486 1.00 0.00 H new ATOM 1099 N GLU A 62 -1.486 5.843 4.567 1.00 0.00 N ATOM 1100 CA GLU A 62 -0.208 6.367 4.099 1.00 0.00 C ATOM 1101 C GLU A 62 -0.398 7.239 2.862 1.00 0.00 C ATOM 1102 O GLU A 62 0.158 8.333 2.770 1.00 0.00 O ATOM 1103 CB GLU A 62 0.754 5.219 3.785 1.00 0.00 C ATOM 1104 CG GLU A 62 2.005 5.660 3.043 1.00 0.00 C ATOM 1105 CD GLU A 62 2.982 6.401 3.936 1.00 0.00 C ATOM 1106 OE1 GLU A 62 3.112 6.021 5.118 1.00 0.00 O ATOM 1107 OE2 GLU A 62 3.617 7.361 3.451 1.00 0.00 O ATOM 0 H GLU A 62 -1.535 4.825 4.608 1.00 0.00 H new ATOM 0 HA GLU A 62 0.217 6.981 4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.046 4.735 4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.232 4.471 3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.498 4.786 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.721 6.302 2.209 1.00 0.00 H new ATOM 1114 N ALA A 63 -1.187 6.746 1.913 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.452 7.481 0.682 1.00 0.00 C ATOM 1116 C ALA A 63 -2.320 8.705 0.949 1.00 0.00 C ATOM 1117 O ALA A 63 -2.201 9.725 0.269 1.00 0.00 O ATOM 1118 CB ALA A 63 -2.117 6.573 -0.342 1.00 0.00 C ATOM 0 H ALA A 63 -1.654 5.841 1.973 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.499 7.825 0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.309 7.135 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.460 5.732 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.059 6.200 0.060 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.196 8.598 1.943 1.00 0.00 N ATOM 1125 CA LYS A 64 -4.085 9.696 2.301 1.00 0.00 C ATOM 1126 C LYS A 64 -3.298 10.869 2.877 1.00 0.00 C ATOM 1127 O LYS A 64 -3.589 12.027 2.583 1.00 0.00 O ATOM 1128 CB LYS A 64 -5.130 9.224 3.314 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.417 10.030 3.283 1.00 0.00 C ATOM 1130 CD LYS A 64 -6.297 11.304 4.103 1.00 0.00 C ATOM 1131 CE LYS A 64 -6.614 11.054 5.569 1.00 0.00 C ATOM 1132 NZ LYS A 64 -8.081 10.984 5.815 1.00 0.00 N ATOM 0 H LYS A 64 -3.309 7.761 2.515 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.590 10.030 1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.363 8.177 3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.703 9.277 4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.665 10.282 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.237 9.424 3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.287 11.704 4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.976 12.059 3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.147 10.122 5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.182 11.850 6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.256 10.813 6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.523 11.883 5.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.490 10.208 5.256 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.299 10.559 3.697 1.00 0.00 N ATOM 1147 CA GLN A 65 -1.469 11.588 4.313 1.00 0.00 C ATOM 1148 C GLN A 65 -0.867 12.506 3.255 1.00 0.00 C ATOM 1149 O GLN A 65 -0.849 13.727 3.415 1.00 0.00 O ATOM 1150 CB GLN A 65 -0.355 10.946 5.142 1.00 0.00 C ATOM 1151 CG GLN A 65 -0.807 10.497 6.523 1.00 0.00 C ATOM 1152 CD GLN A 65 -1.056 11.660 7.462 1.00 0.00 C ATOM 1153 OE1 GLN A 65 -0.993 12.822 7.060 1.00 0.00 O ATOM 1154 NE2 GLN A 65 -1.342 11.353 8.722 1.00 0.00 N ATOM 0 H GLN A 65 -2.045 9.604 3.950 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.102 12.186 4.969 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.040 10.086 4.601 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.463 11.658 5.250 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.720 9.909 6.429 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.049 9.843 6.954 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.384 10.376 9.012 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.520 12.094 9.400 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.373 11.912 2.173 1.00 0.00 N ATOM 1164 CA VAL A 66 0.230 12.676 1.088 1.00 0.00 C ATOM 1165 C VAL A 66 -0.760 13.679 0.506 1.00 0.00 C ATOM 1166 O VAL A 66 -0.383 14.779 0.104 1.00 0.00 O ATOM 1167 CB VAL A 66 0.731 11.753 -0.038 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.231 12.573 -1.218 1.00 0.00 C ATOM 1169 CG2 VAL A 66 1.820 10.826 0.478 1.00 0.00 C ATOM 0 H VAL A 66 -0.379 10.903 2.025 1.00 0.00 H new ATOM 0 HA VAL A 66 1.079 13.212 1.512 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.103 11.140 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.581 11.904 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.419 13.190 -1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.052 13.213 -0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.162 10.181 -0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.657 11.418 0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.423 10.213 1.287 1.00 0.00 H new ATOM 1179 N LYS A 67 -2.031 13.292 0.465 1.00 0.00 N ATOM 1180 CA LYS A 67 -3.078 14.156 -0.066 1.00 0.00 C ATOM 1181 C LYS A 67 -3.094 15.499 0.658 1.00 0.00 C ATOM 1182 O LYS A 67 -3.405 16.531 0.064 1.00 0.00 O ATOM 1183 CB LYS A 67 -4.443 13.478 0.065 1.00 0.00 C ATOM 1184 CG LYS A 67 -5.555 14.201 -0.674 1.00 0.00 C ATOM 1185 CD LYS A 67 -6.806 13.344 -0.778 1.00 0.00 C ATOM 1186 CE LYS A 67 -7.922 14.073 -1.509 1.00 0.00 C ATOM 1187 NZ LYS A 67 -8.992 13.140 -1.960 1.00 0.00 N ATOM 0 H LYS A 67 -2.360 12.384 0.794 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.868 14.334 -1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.370 12.458 -0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.705 13.409 1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.792 15.131 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.213 14.470 -1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.571 12.418 -1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.143 13.068 0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.353 14.829 -0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.510 14.597 -2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.734 13.676 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.587 12.433 -2.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.403 12.659 -1.135 1.00 0.00 H new ATOM 1201 N ASP A 68 -2.756 15.477 1.943 1.00 0.00 N ATOM 1202 CA ASP A 68 -2.729 16.693 2.747 1.00 0.00 C ATOM 1203 C ASP A 68 -1.445 17.479 2.501 1.00 0.00 C ATOM 1204 O ASP A 68 -1.484 18.651 2.127 1.00 0.00 O ATOM 1205 CB ASP A 68 -2.857 16.351 4.232 1.00 0.00 C ATOM 1206 CG ASP A 68 -3.281 17.543 5.067 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -2.489 18.503 5.177 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -4.406 17.517 5.608 1.00 0.00 O ATOM 0 H ASP A 68 -2.497 14.630 2.450 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.575 17.314 2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.584 15.548 4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.902 15.976 4.599 1.00 0.00 H new ATOM 1213 N ILE A 69 -0.308 16.825 2.716 1.00 0.00 N ATOM 1214 CA ILE A 69 0.988 17.463 2.518 1.00 0.00 C ATOM 1215 C ILE A 69 1.104 18.049 1.115 1.00 0.00 C ATOM 1216 O ILE A 69 1.783 19.054 0.905 1.00 0.00 O ATOM 1217 CB ILE A 69 2.144 16.470 2.743 1.00 0.00 C ATOM 1218 CG1 ILE A 69 2.401 15.656 1.474 1.00 0.00 C ATOM 1219 CG2 ILE A 69 1.832 15.551 3.915 1.00 0.00 C ATOM 1220 CD1 ILE A 69 3.489 14.616 1.633 1.00 0.00 C ATOM 0 H ILE A 69 -0.258 15.855 3.027 1.00 0.00 H new ATOM 0 HA ILE A 69 1.060 18.266 3.252 1.00 0.00 H new ATOM 0 HB ILE A 69 3.047 17.034 2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.477 15.161 1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.674 16.335 0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.658 14.855 4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.695 16.146 4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.920 14.992 3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.617 14.077 0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.425 15.107 1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.210 13.914 2.419 1.00 0.00 H new ATOM 1232 N MET A 70 0.433 17.416 0.158 1.00 0.00 N ATOM 1233 CA MET A 70 0.459 17.878 -1.226 1.00 0.00 C ATOM 1234 C MET A 70 -0.663 18.879 -1.485 1.00 0.00 C ATOM 1235 O MET A 70 -0.631 19.622 -2.466 1.00 0.00 O ATOM 1236 CB MET A 70 0.331 16.692 -2.184 1.00 0.00 C ATOM 1237 CG MET A 70 -1.107 16.336 -2.523 1.00 0.00 C ATOM 1238 SD MET A 70 -1.768 17.330 -3.875 1.00 0.00 S ATOM 1239 CE MET A 70 -2.206 16.053 -5.051 1.00 0.00 C ATOM 0 H MET A 70 -0.135 16.583 0.315 1.00 0.00 H new ATOM 0 HA MET A 70 1.413 18.375 -1.400 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.867 16.920 -3.105 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.817 15.823 -1.740 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.162 15.281 -2.792 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.729 16.473 -1.639 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.630 16.511 -5.944 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.315 15.487 -5.322 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.940 15.383 -4.604 1.00 0.00 H new ATOM 1249 N LYS A 71 -1.654 18.893 -0.600 1.00 0.00 N ATOM 1250 CA LYS A 71 -2.785 19.803 -0.732 1.00 0.00 C ATOM 1251 C LYS A 71 -2.651 20.981 0.227 1.00 0.00 C ATOM 1252 O LYS A 71 -2.165 20.830 1.348 1.00 0.00 O ATOM 1253 CB LYS A 71 -4.097 19.061 -0.465 1.00 0.00 C ATOM 1254 CG LYS A 71 -5.327 19.946 -0.563 1.00 0.00 C ATOM 1255 CD LYS A 71 -5.649 20.296 -2.006 1.00 0.00 C ATOM 1256 CE LYS A 71 -7.118 20.647 -2.181 1.00 0.00 C ATOM 1257 NZ LYS A 71 -7.437 21.993 -1.630 1.00 0.00 N ATOM 0 H LYS A 71 -1.697 18.284 0.217 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.793 20.187 -1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.192 18.241 -1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.058 18.617 0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.179 19.437 -0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.164 20.861 0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.033 21.137 -2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.396 19.454 -2.651 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.374 20.618 -3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.732 19.896 -1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.448 22.194 -1.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.216 22.013 -0.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.870 22.713 -2.122 1.00 0.00 H new ATOM 1271 N THR A 72 -3.086 22.155 -0.220 1.00 0.00 N ATOM 1272 CA THR A 72 -3.015 23.359 0.598 1.00 0.00 C ATOM 1273 C THR A 72 -4.005 23.297 1.755 1.00 0.00 C ATOM 1274 O THR A 72 -4.425 24.327 2.283 1.00 0.00 O ATOM 1275 CB THR A 72 -3.295 24.623 -0.236 1.00 0.00 C ATOM 1276 OG1 THR A 72 -4.577 24.519 -0.866 1.00 0.00 O ATOM 1277 CG2 THR A 72 -2.219 24.824 -1.292 1.00 0.00 C ATOM 0 H THR A 72 -3.492 22.297 -1.145 1.00 0.00 H new ATOM 0 HA THR A 72 -2.001 23.412 0.994 1.00 0.00 H new ATOM 0 HB THR A 72 -3.288 25.483 0.434 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.749 25.327 -1.393 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.438 25.723 -1.868 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.249 24.932 -0.807 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.198 23.962 -1.958 1.00 0.00 H new TER 1285 THR A 72