USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=25 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.29) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -2.46 K(o=-2.5,f=-4.5!) USER MOD Single : A -1 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 MET CE :methyl -145:sc= -0.371 (180deg=-1.99!) USER MOD Single : A -3 HIS : no HD1:sc= -0.0545 X(o=-0.055,f=-0.21) USER MOD Single : A -5 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= -0.195 (180deg=-0.695) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN :FLIP amide:sc= -0.179 F(o=-3.3!,f=-0.18) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -137:sc= 0.0438 USER MOD Single : A 26 MET CE :methyl 164:sc= -7.99! (180deg=-9.13!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -3.14! C(o=-3.1!,f=-8.1!) USER MOD Single : A 35 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 36 MET CE :methyl -143:sc=-0.00495 (180deg=-0.382) USER MOD Single : A 37 ASN : amide:sc= -0.0987 K(o=-0.099,f=-0.81) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 130:sc=-0.00919 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -46:sc= 1.22 USER MOD Single : A 44 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0599) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.37) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.394 F(o=-0.93,f=-0.39) USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= -0.217 (180deg=-0.775) USER MOD Single : A 53 GLN : amide:sc= -2.81! C(o=-2.8!,f=-3.7!) USER MOD Single : A 54 GLN :FLIP amide:sc= 0.343 F(o=-0.45,f=0.34) USER MOD Single : A 57 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.1) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.234 F(o=-1.4,f=-0.23) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -124:sc= -0.0404 (180deg=-0.239) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -33:sc= 0.697 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -5 15.106 -26.121 -10.176 1.00 0.00 N ATOM 2 CA SER A -5 14.571 -26.206 -8.822 1.00 0.00 C ATOM 3 C SER A -5 14.508 -24.825 -8.176 1.00 0.00 C ATOM 4 O SER A -5 15.463 -24.382 -7.537 1.00 0.00 O ATOM 5 CB SER A -5 15.430 -27.142 -7.969 1.00 0.00 C ATOM 6 OG SER A -5 14.845 -27.354 -6.697 1.00 0.00 O ATOM 0 H1 SER A -5 15.140 -27.072 -10.596 1.00 0.00 H new ATOM 0 H2 SER A -5 14.494 -25.509 -10.753 1.00 0.00 H new ATOM 0 H3 SER A -5 16.066 -25.722 -10.146 1.00 0.00 H new ATOM 0 HA SER A -5 13.559 -26.607 -8.882 1.00 0.00 H new ATOM 0 HB2 SER A -5 15.551 -28.097 -8.481 1.00 0.00 H new ATOM 0 HB3 SER A -5 16.426 -26.717 -7.848 1.00 0.00 H new ATOM 0 HG SER A -5 15.412 -27.957 -6.172 1.00 0.00 H new ATOM 12 N ASP A -4 13.377 -24.150 -8.347 1.00 0.00 N ATOM 13 CA ASP A -4 13.187 -22.820 -7.780 1.00 0.00 C ATOM 14 C ASP A -4 11.921 -22.767 -6.931 1.00 0.00 C ATOM 15 O ASP A -4 10.832 -22.491 -7.438 1.00 0.00 O ATOM 16 CB ASP A -4 13.115 -21.774 -8.893 1.00 0.00 C ATOM 17 CG ASP A -4 12.646 -20.423 -8.388 1.00 0.00 C ATOM 18 OD1 ASP A -4 13.057 -20.030 -7.277 1.00 0.00 O ATOM 19 OD2 ASP A -4 11.867 -19.760 -9.105 1.00 0.00 O ATOM 0 H ASP A -4 12.578 -24.502 -8.874 1.00 0.00 H new ATOM 0 HA ASP A -4 14.041 -22.599 -7.140 1.00 0.00 H new ATOM 0 HB2 ASP A -4 14.098 -21.666 -9.351 1.00 0.00 H new ATOM 0 HB3 ASP A -4 12.437 -22.123 -9.672 1.00 0.00 H new ATOM 24 N HIS A -3 12.069 -23.033 -5.637 1.00 0.00 N ATOM 25 CA HIS A -3 10.937 -23.016 -4.718 1.00 0.00 C ATOM 26 C HIS A -3 10.028 -21.823 -4.998 1.00 0.00 C ATOM 27 O HIS A -3 10.429 -20.867 -5.663 1.00 0.00 O ATOM 28 CB HIS A -3 11.428 -22.969 -3.271 1.00 0.00 C ATOM 29 CG HIS A -3 11.689 -24.321 -2.683 1.00 0.00 C ATOM 30 ND1 HIS A -3 10.759 -25.340 -2.697 1.00 0.00 N ATOM 31 CD2 HIS A -3 12.783 -24.821 -2.063 1.00 0.00 C ATOM 32 CE1 HIS A -3 11.270 -26.407 -2.109 1.00 0.00 C ATOM 33 NE2 HIS A -3 12.498 -26.118 -1.716 1.00 0.00 N ATOM 0 H HIS A -3 12.962 -23.263 -5.201 1.00 0.00 H new ATOM 0 HA HIS A -3 10.364 -23.931 -4.870 1.00 0.00 H new ATOM 0 HB2 HIS A -3 12.344 -22.379 -3.226 1.00 0.00 H new ATOM 0 HB3 HIS A -3 10.686 -22.454 -2.661 1.00 0.00 H new ATOM 0 HD2 HIS A -3 13.709 -24.297 -1.876 1.00 0.00 H new ATOM 0 HE1 HIS A -3 10.769 -27.354 -1.973 1.00 0.00 H new ATOM 0 HE2 HIS A -3 13.131 -26.755 -1.233 1.00 0.00 H new ATOM 42 N MET A -2 8.802 -21.886 -4.488 1.00 0.00 N ATOM 43 CA MET A -2 7.837 -20.810 -4.684 1.00 0.00 C ATOM 44 C MET A -2 8.346 -19.506 -4.078 1.00 0.00 C ATOM 45 O MET A -2 9.461 -19.444 -3.558 1.00 0.00 O ATOM 46 CB MET A -2 6.491 -21.185 -4.060 1.00 0.00 C ATOM 47 CG MET A -2 5.657 -22.112 -4.928 1.00 0.00 C ATOM 48 SD MET A -2 5.367 -21.446 -6.578 1.00 0.00 S ATOM 49 CE MET A -2 4.690 -19.837 -6.180 1.00 0.00 C ATOM 0 H MET A -2 8.454 -22.670 -3.936 1.00 0.00 H new ATOM 0 HA MET A -2 7.705 -20.664 -5.756 1.00 0.00 H new ATOM 0 HB2 MET A -2 6.667 -21.663 -3.096 1.00 0.00 H new ATOM 0 HB3 MET A -2 5.924 -20.275 -3.865 1.00 0.00 H new ATOM 0 HG2 MET A -2 6.161 -23.075 -5.013 1.00 0.00 H new ATOM 0 HG3 MET A -2 4.699 -22.295 -4.441 1.00 0.00 H new ATOM 0 HE1 MET A -2 3.933 -19.568 -6.917 1.00 0.00 H new ATOM 0 HE2 MET A -2 4.237 -19.868 -5.189 1.00 0.00 H new ATOM 0 HE3 MET A -2 5.487 -19.094 -6.192 1.00 0.00 H new ATOM 59 N THR A -1 7.523 -18.465 -4.147 1.00 0.00 N ATOM 60 CA THR A -1 7.890 -17.162 -3.607 1.00 0.00 C ATOM 61 C THR A -1 6.721 -16.187 -3.681 1.00 0.00 C ATOM 62 O THR A -1 5.967 -16.179 -4.653 1.00 0.00 O ATOM 63 CB THR A -1 9.093 -16.562 -4.359 1.00 0.00 C ATOM 64 OG1 THR A -1 9.718 -15.553 -3.556 1.00 0.00 O ATOM 65 CG2 THR A -1 8.657 -15.962 -5.687 1.00 0.00 C ATOM 0 H THR A -1 6.596 -18.499 -4.572 1.00 0.00 H new ATOM 0 HA THR A -1 8.164 -17.318 -2.563 1.00 0.00 H new ATOM 0 HB THR A -1 9.806 -17.362 -4.557 1.00 0.00 H new ATOM 0 HG1 THR A -1 10.483 -15.177 -4.040 1.00 0.00 H new ATOM 0 HG21 THR A -1 9.524 -15.545 -6.200 1.00 0.00 H new ATOM 0 HG22 THR A -1 8.208 -16.738 -6.307 1.00 0.00 H new ATOM 0 HG23 THR A -1 7.927 -15.173 -5.507 1.00 0.00 H new ATOM 73 N MET A 1 6.577 -15.365 -2.646 1.00 0.00 N ATOM 74 CA MET A 1 5.499 -14.383 -2.596 1.00 0.00 C ATOM 75 C MET A 1 5.792 -13.206 -3.521 1.00 0.00 C ATOM 76 O MET A 1 6.824 -12.547 -3.394 1.00 0.00 O ATOM 77 CB MET A 1 5.302 -13.884 -1.163 1.00 0.00 C ATOM 78 CG MET A 1 4.764 -14.947 -0.218 1.00 0.00 C ATOM 79 SD MET A 1 5.236 -14.653 1.497 1.00 0.00 S ATOM 80 CE MET A 1 6.705 -15.670 1.624 1.00 0.00 C ATOM 0 H MET A 1 7.192 -15.359 -1.832 1.00 0.00 H new ATOM 0 HA MET A 1 4.583 -14.868 -2.934 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.255 -13.518 -0.780 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.616 -13.037 -1.173 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.677 -14.977 -0.292 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.132 -15.925 -0.530 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.115 -15.593 2.631 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.448 -16.708 1.415 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.448 -15.328 0.903 1.00 0.00 H new ATOM 90 N SER A 2 4.878 -12.947 -4.450 1.00 0.00 N ATOM 91 CA SER A 2 5.041 -11.852 -5.399 1.00 0.00 C ATOM 92 C SER A 2 4.507 -10.546 -4.818 1.00 0.00 C ATOM 93 O SER A 2 4.020 -9.682 -5.547 1.00 0.00 O ATOM 94 CB SER A 2 4.320 -12.173 -6.709 1.00 0.00 C ATOM 95 OG SER A 2 4.871 -13.323 -7.327 1.00 0.00 O ATOM 0 H SER A 2 4.016 -13.481 -4.566 1.00 0.00 H new ATOM 0 HA SER A 2 6.106 -11.732 -5.599 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.260 -12.334 -6.514 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.394 -11.322 -7.386 1.00 0.00 H new ATOM 0 HG SER A 2 4.391 -13.508 -8.161 1.00 0.00 H new ATOM 101 N LEU A 3 4.602 -10.410 -3.500 1.00 0.00 N ATOM 102 CA LEU A 3 4.129 -9.210 -2.818 1.00 0.00 C ATOM 103 C LEU A 3 5.225 -8.151 -2.757 1.00 0.00 C ATOM 104 O LEU A 3 4.957 -6.959 -2.904 1.00 0.00 O ATOM 105 CB LEU A 3 3.658 -9.555 -1.404 1.00 0.00 C ATOM 106 CG LEU A 3 2.175 -9.894 -1.255 1.00 0.00 C ATOM 107 CD1 LEU A 3 1.867 -10.325 0.170 1.00 0.00 C ATOM 108 CD2 LEU A 3 1.313 -8.705 -1.653 1.00 0.00 C ATOM 0 H LEU A 3 5.002 -11.116 -2.882 1.00 0.00 H new ATOM 0 HA LEU A 3 3.290 -8.806 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.242 -10.403 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.885 -8.712 -0.751 1.00 0.00 H new ATOM 0 HG LEU A 3 1.943 -10.724 -1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.807 -10.562 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.458 -11.206 0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.115 -9.516 0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.260 -8.965 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.547 -7.855 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.513 -8.442 -2.692 1.00 0.00 H new ATOM 120 N GLN A 4 6.459 -8.595 -2.543 1.00 0.00 N ATOM 121 CA GLN A 4 7.596 -7.685 -2.465 1.00 0.00 C ATOM 122 C GLN A 4 7.578 -6.692 -3.622 1.00 0.00 C ATOM 123 O GLN A 4 7.746 -5.489 -3.423 1.00 0.00 O ATOM 124 CB GLN A 4 8.908 -8.471 -2.472 1.00 0.00 C ATOM 125 CG GLN A 4 10.031 -7.788 -1.708 1.00 0.00 C ATOM 126 CD GLN A 4 9.660 -7.488 -0.269 1.00 0.00 C ATOM 127 OE1 GLN A 4 9.710 -6.339 0.170 1.00 0.00 O ATOM 128 NE2 GLN A 4 9.284 -8.523 0.474 1.00 0.00 N ATOM 0 H GLN A 4 6.697 -9.579 -2.421 1.00 0.00 H new ATOM 0 HA GLN A 4 7.520 -7.128 -1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.734 -9.457 -2.041 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.224 -8.626 -3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.916 -8.424 -1.726 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.295 -6.859 -2.212 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.257 -9.459 0.069 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.022 -8.382 1.450 1.00 0.00 H new ATOM 137 N MET A 5 7.375 -7.204 -4.832 1.00 0.00 N ATOM 138 CA MET A 5 7.335 -6.361 -6.021 1.00 0.00 C ATOM 139 C MET A 5 6.242 -5.303 -5.901 1.00 0.00 C ATOM 140 O MET A 5 6.309 -4.253 -6.541 1.00 0.00 O ATOM 141 CB MET A 5 7.101 -7.214 -7.269 1.00 0.00 C ATOM 142 CG MET A 5 8.368 -7.847 -7.819 1.00 0.00 C ATOM 143 SD MET A 5 8.305 -8.089 -9.605 1.00 0.00 S ATOM 144 CE MET A 5 9.424 -6.806 -10.161 1.00 0.00 C ATOM 0 H MET A 5 7.236 -8.198 -5.014 1.00 0.00 H new ATOM 0 HA MET A 5 8.297 -5.856 -6.110 1.00 0.00 H new ATOM 0 HB2 MET A 5 6.385 -8.001 -7.032 1.00 0.00 H new ATOM 0 HB3 MET A 5 6.649 -6.594 -8.043 1.00 0.00 H new ATOM 0 HG2 MET A 5 9.222 -7.216 -7.572 1.00 0.00 H new ATOM 0 HG3 MET A 5 8.530 -8.808 -7.332 1.00 0.00 H new ATOM 0 HE1 MET A 5 9.491 -6.828 -11.249 1.00 0.00 H new ATOM 0 HE2 MET A 5 9.051 -5.834 -9.840 1.00 0.00 H new ATOM 0 HE3 MET A 5 10.412 -6.975 -9.733 1.00 0.00 H new ATOM 154 N ILE A 6 5.238 -5.586 -5.078 1.00 0.00 N ATOM 155 CA ILE A 6 4.133 -4.659 -4.875 1.00 0.00 C ATOM 156 C ILE A 6 4.445 -3.668 -3.758 1.00 0.00 C ATOM 157 O ILE A 6 4.561 -2.466 -3.995 1.00 0.00 O ATOM 158 CB ILE A 6 2.828 -5.403 -4.536 1.00 0.00 C ATOM 159 CG1 ILE A 6 2.570 -6.515 -5.555 1.00 0.00 C ATOM 160 CG2 ILE A 6 1.658 -4.431 -4.498 1.00 0.00 C ATOM 161 CD1 ILE A 6 2.383 -6.009 -6.968 1.00 0.00 C ATOM 0 H ILE A 6 5.168 -6.450 -4.541 1.00 0.00 H new ATOM 0 HA ILE A 6 4.000 -4.118 -5.812 1.00 0.00 H new ATOM 0 HB ILE A 6 2.931 -5.856 -3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.405 -7.215 -5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.681 -7.071 -5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.743 -4.972 -4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.841 -3.671 -3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.551 -3.952 -5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.204 -6.852 -7.636 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.529 -5.332 -7.002 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.280 -5.478 -7.286 1.00 0.00 H new ATOM 173 N VAL A 7 4.581 -4.182 -2.540 1.00 0.00 N ATOM 174 CA VAL A 7 4.883 -3.343 -1.386 1.00 0.00 C ATOM 175 C VAL A 7 6.068 -2.427 -1.668 1.00 0.00 C ATOM 176 O VAL A 7 6.137 -1.311 -1.154 1.00 0.00 O ATOM 177 CB VAL A 7 5.190 -4.194 -0.139 1.00 0.00 C ATOM 178 CG1 VAL A 7 3.919 -4.832 0.399 1.00 0.00 C ATOM 179 CG2 VAL A 7 6.233 -5.253 -0.462 1.00 0.00 C ATOM 0 H VAL A 7 4.487 -5.175 -2.327 1.00 0.00 H new ATOM 0 HA VAL A 7 3.997 -2.737 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 7 5.595 -3.541 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.156 -5.429 1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.207 -4.052 0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.481 -5.473 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.438 -5.845 0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.858 -5.904 -1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.151 -4.770 -0.796 1.00 0.00 H new ATOM 189 N GLU A 8 6.998 -2.906 -2.487 1.00 0.00 N ATOM 190 CA GLU A 8 8.182 -2.129 -2.836 1.00 0.00 C ATOM 191 C GLU A 8 7.804 -0.910 -3.672 1.00 0.00 C ATOM 192 O GLU A 8 8.461 0.128 -3.607 1.00 0.00 O ATOM 193 CB GLU A 8 9.181 -2.997 -3.603 1.00 0.00 C ATOM 194 CG GLU A 8 8.778 -3.261 -5.044 1.00 0.00 C ATOM 195 CD GLU A 8 9.951 -3.673 -5.912 1.00 0.00 C ATOM 196 OE1 GLU A 8 10.439 -4.811 -5.750 1.00 0.00 O ATOM 197 OE2 GLU A 8 10.381 -2.857 -6.754 1.00 0.00 O ATOM 0 H GLU A 8 6.955 -3.828 -2.921 1.00 0.00 H new ATOM 0 HA GLU A 8 8.646 -1.785 -1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.156 -2.511 -3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.294 -3.950 -3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.021 -4.044 -5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.321 -2.363 -5.460 1.00 0.00 H new ATOM 204 N ASN A 9 6.741 -1.045 -4.458 1.00 0.00 N ATOM 205 CA ASN A 9 6.276 0.045 -5.309 1.00 0.00 C ATOM 206 C ASN A 9 5.956 1.285 -4.478 1.00 0.00 C ATOM 207 O ASN A 9 6.108 2.414 -4.944 1.00 0.00 O ATOM 208 CB ASN A 9 5.038 -0.388 -6.097 1.00 0.00 C ATOM 209 CG ASN A 9 5.342 -1.493 -7.090 1.00 0.00 C ATOM 210 OD1 ASN A 9 4.624 -2.490 -7.165 1.00 0.00 O ATOM 211 ND2 ASN A 9 6.411 -1.320 -7.858 1.00 0.00 N ATOM 0 H ASN A 9 6.185 -1.898 -4.524 1.00 0.00 H new ATOM 0 HA ASN A 9 7.075 0.294 -6.008 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.270 -0.728 -5.403 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.630 0.472 -6.628 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.666 -2.030 -8.545 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.977 -0.477 -7.761 1.00 0.00 H new ATOM 218 N VAL A 10 5.511 1.065 -3.245 1.00 0.00 N ATOM 219 CA VAL A 10 5.171 2.164 -2.348 1.00 0.00 C ATOM 220 C VAL A 10 6.379 3.059 -2.094 1.00 0.00 C ATOM 221 O VAL A 10 6.297 4.281 -2.218 1.00 0.00 O ATOM 222 CB VAL A 10 4.639 1.643 -1.000 1.00 0.00 C ATOM 223 CG1 VAL A 10 4.081 2.788 -0.168 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.583 0.571 -1.223 1.00 0.00 C ATOM 0 H VAL A 10 5.377 0.137 -2.844 1.00 0.00 H new ATOM 0 HA VAL A 10 4.390 2.744 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 10 5.467 1.196 -0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.710 2.401 0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.868 3.518 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.265 3.267 -0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.218 0.214 -0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.754 0.990 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.020 -0.260 -1.776 1.00 0.00 H new ATOM 234 N LYS A 11 7.501 2.443 -1.737 1.00 0.00 N ATOM 235 CA LYS A 11 8.728 3.183 -1.467 1.00 0.00 C ATOM 236 C LYS A 11 9.029 4.167 -2.592 1.00 0.00 C ATOM 237 O LYS A 11 9.617 5.225 -2.365 1.00 0.00 O ATOM 238 CB LYS A 11 9.902 2.217 -1.291 1.00 0.00 C ATOM 239 CG LYS A 11 9.713 1.232 -0.151 1.00 0.00 C ATOM 240 CD LYS A 11 9.274 1.932 1.124 1.00 0.00 C ATOM 241 CE LYS A 11 9.649 1.127 2.359 1.00 0.00 C ATOM 242 NZ LYS A 11 11.123 0.959 2.485 1.00 0.00 N ATOM 0 H LYS A 11 7.586 1.432 -1.628 1.00 0.00 H new ATOM 0 HA LYS A 11 8.588 3.746 -0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.048 1.663 -2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.812 2.792 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.969 0.487 -0.433 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.646 0.699 0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.736 2.918 1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.195 2.086 1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.263 1.625 3.248 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.175 0.147 2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.371 0.803 3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.429 0.141 1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.601 1.816 2.140 1.00 0.00 H new ATOM 256 N LEU A 12 8.622 3.813 -3.806 1.00 0.00 N ATOM 257 CA LEU A 12 8.847 4.666 -4.968 1.00 0.00 C ATOM 258 C LEU A 12 7.978 5.918 -4.901 1.00 0.00 C ATOM 259 O LEU A 12 8.466 7.034 -5.078 1.00 0.00 O ATOM 260 CB LEU A 12 8.552 3.896 -6.256 1.00 0.00 C ATOM 261 CG LEU A 12 9.013 4.559 -7.555 1.00 0.00 C ATOM 262 CD1 LEU A 12 8.190 5.807 -7.838 1.00 0.00 C ATOM 263 CD2 LEU A 12 10.494 4.899 -7.484 1.00 0.00 C ATOM 0 H LEU A 12 8.134 2.941 -4.011 1.00 0.00 H new ATOM 0 HA LEU A 12 9.893 4.971 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.022 2.915 -6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.477 3.730 -6.318 1.00 0.00 H new ATOM 0 HG LEU A 12 8.862 3.855 -8.374 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.532 6.266 -8.766 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.139 5.536 -7.933 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.309 6.515 -7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.804 5.370 -8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.671 5.584 -6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.070 3.987 -7.329 1.00 0.00 H new ATOM 275 N ALA A 13 6.689 5.725 -4.641 1.00 0.00 N ATOM 276 CA ALA A 13 5.753 6.838 -4.546 1.00 0.00 C ATOM 277 C ALA A 13 6.167 7.810 -3.446 1.00 0.00 C ATOM 278 O ALA A 13 6.229 9.020 -3.665 1.00 0.00 O ATOM 279 CB ALA A 13 4.344 6.323 -4.295 1.00 0.00 C ATOM 0 H ALA A 13 6.269 4.807 -4.492 1.00 0.00 H new ATOM 0 HA ALA A 13 5.768 7.375 -5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.656 7.165 -4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.042 5.674 -5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.323 5.760 -3.362 1.00 0.00 H new ATOM 285 N ARG A 14 6.449 7.274 -2.264 1.00 0.00 N ATOM 286 CA ARG A 14 6.855 8.095 -1.129 1.00 0.00 C ATOM 287 C ARG A 14 8.024 9.000 -1.505 1.00 0.00 C ATOM 288 O ARG A 14 8.065 10.169 -1.121 1.00 0.00 O ATOM 289 CB ARG A 14 7.242 7.209 0.056 1.00 0.00 C ATOM 290 CG ARG A 14 7.459 7.980 1.348 1.00 0.00 C ATOM 291 CD ARG A 14 8.323 7.199 2.325 1.00 0.00 C ATOM 292 NE ARG A 14 8.852 8.049 3.388 1.00 0.00 N ATOM 293 CZ ARG A 14 9.584 7.593 4.398 1.00 0.00 C ATOM 294 NH1 ARG A 14 9.873 6.302 4.482 1.00 0.00 N ATOM 295 NH2 ARG A 14 10.030 8.429 5.328 1.00 0.00 N ATOM 0 H ARG A 14 6.404 6.274 -2.066 1.00 0.00 H new ATOM 0 HA ARG A 14 6.010 8.721 -0.844 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.461 6.466 0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.154 6.665 -0.190 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.932 8.937 1.127 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.496 8.200 1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.735 6.393 2.764 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.149 6.735 1.787 1.00 0.00 H new ATOM 0 HE ARG A 14 8.648 9.048 3.353 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.533 5.656 3.770 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.435 5.955 5.259 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.811 9.423 5.268 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.592 8.077 6.103 1.00 0.00 H new ATOM 309 N GLU A 15 8.974 8.452 -2.256 1.00 0.00 N ATOM 310 CA GLU A 15 10.144 9.210 -2.682 1.00 0.00 C ATOM 311 C GLU A 15 9.732 10.452 -3.468 1.00 0.00 C ATOM 312 O GLU A 15 10.366 11.502 -3.368 1.00 0.00 O ATOM 313 CB GLU A 15 11.064 8.335 -3.536 1.00 0.00 C ATOM 314 CG GLU A 15 12.342 9.035 -3.967 1.00 0.00 C ATOM 315 CD GLU A 15 13.336 8.089 -4.611 1.00 0.00 C ATOM 316 OE1 GLU A 15 14.002 7.333 -3.873 1.00 0.00 O ATOM 317 OE2 GLU A 15 13.448 8.104 -5.855 1.00 0.00 O ATOM 0 H GLU A 15 8.956 7.486 -2.582 1.00 0.00 H new ATOM 0 HA GLU A 15 10.683 9.528 -1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.323 7.438 -2.974 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.521 8.009 -4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.096 9.831 -4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.804 9.506 -3.100 1.00 0.00 H new ATOM 324 N TYR A 16 8.666 10.323 -4.249 1.00 0.00 N ATOM 325 CA TYR A 16 8.170 11.432 -5.055 1.00 0.00 C ATOM 326 C TYR A 16 7.488 12.479 -4.180 1.00 0.00 C ATOM 327 O TYR A 16 7.631 13.680 -4.404 1.00 0.00 O ATOM 328 CB TYR A 16 7.192 10.922 -6.116 1.00 0.00 C ATOM 329 CG TYR A 16 7.866 10.226 -7.276 1.00 0.00 C ATOM 330 CD1 TYR A 16 8.830 9.248 -7.061 1.00 0.00 C ATOM 331 CD2 TYR A 16 7.539 10.546 -8.588 1.00 0.00 C ATOM 332 CE1 TYR A 16 9.449 8.611 -8.118 1.00 0.00 C ATOM 333 CE2 TYR A 16 8.152 9.912 -9.652 1.00 0.00 C ATOM 334 CZ TYR A 16 9.106 8.946 -9.412 1.00 0.00 C ATOM 335 OH TYR A 16 9.720 8.311 -10.468 1.00 0.00 O ATOM 0 H TYR A 16 8.128 9.461 -4.341 1.00 0.00 H new ATOM 0 HA TYR A 16 9.022 11.898 -5.550 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.489 10.233 -5.649 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.610 11.762 -6.496 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.099 8.982 -6.050 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.793 11.303 -8.780 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.198 7.855 -7.933 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.885 10.172 -10.666 1.00 0.00 H new ATOM 0 HH TYR A 16 9.365 8.661 -11.312 1.00 0.00 H new ATOM 345 N ALA A 17 6.746 12.012 -3.180 1.00 0.00 N ATOM 346 CA ALA A 17 6.044 12.907 -2.269 1.00 0.00 C ATOM 347 C ALA A 17 7.009 13.883 -1.604 1.00 0.00 C ATOM 348 O ALA A 17 6.700 15.064 -1.442 1.00 0.00 O ATOM 349 CB ALA A 17 5.293 12.104 -1.216 1.00 0.00 C ATOM 0 H ALA A 17 6.616 11.020 -2.981 1.00 0.00 H new ATOM 0 HA ALA A 17 5.326 13.487 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.773 12.785 -0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.568 11.452 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.999 11.499 -0.647 1.00 0.00 H new ATOM 355 N LEU A 18 8.178 13.382 -1.222 1.00 0.00 N ATOM 356 CA LEU A 18 9.190 14.210 -0.574 1.00 0.00 C ATOM 357 C LEU A 18 9.767 15.229 -1.551 1.00 0.00 C ATOM 358 O LEU A 18 9.795 16.428 -1.271 1.00 0.00 O ATOM 359 CB LEU A 18 10.310 13.334 -0.011 1.00 0.00 C ATOM 360 CG LEU A 18 9.868 12.065 0.717 1.00 0.00 C ATOM 361 CD1 LEU A 18 11.016 11.490 1.534 1.00 0.00 C ATOM 362 CD2 LEU A 18 8.668 12.351 1.608 1.00 0.00 C ATOM 0 H LEU A 18 8.449 12.407 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 18 8.713 14.749 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.967 13.048 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.903 13.936 0.677 1.00 0.00 H new ATOM 0 HG LEU A 18 9.574 11.326 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.682 10.587 2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.847 11.246 0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.342 12.224 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.367 11.436 2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.935 13.107 2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.841 12.715 0.999 1.00 0.00 H new ATOM 374 N LEU A 19 10.226 14.745 -2.700 1.00 0.00 N ATOM 375 CA LEU A 19 10.802 15.613 -3.721 1.00 0.00 C ATOM 376 C LEU A 19 9.867 16.777 -4.036 1.00 0.00 C ATOM 377 O LEU A 19 10.311 17.908 -4.230 1.00 0.00 O ATOM 378 CB LEU A 19 11.088 14.815 -4.995 1.00 0.00 C ATOM 379 CG LEU A 19 12.470 14.168 -5.084 1.00 0.00 C ATOM 380 CD1 LEU A 19 12.932 13.703 -3.712 1.00 0.00 C ATOM 381 CD2 LEU A 19 12.451 13.004 -6.065 1.00 0.00 C ATOM 0 H LEU A 19 10.210 13.756 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 19 11.738 16.016 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.335 14.032 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.963 15.478 -5.851 1.00 0.00 H new ATOM 0 HG LEU A 19 13.176 14.914 -5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.918 13.245 -3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.985 14.557 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.225 12.973 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.443 12.555 -6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.731 12.257 -5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.165 13.365 -7.053 1.00 0.00 H new ATOM 393 N GLY A 20 8.569 16.491 -4.082 1.00 0.00 N ATOM 394 CA GLY A 20 7.592 17.525 -4.371 1.00 0.00 C ATOM 395 C GLY A 20 6.492 17.040 -5.294 1.00 0.00 C ATOM 396 O GLY A 20 5.530 17.761 -5.556 1.00 0.00 O ATOM 0 H GLY A 20 8.177 15.563 -3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.151 17.875 -3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.094 18.378 -4.826 1.00 0.00 H new ATOM 400 N ASN A 21 6.633 15.815 -5.790 1.00 0.00 N ATOM 401 CA ASN A 21 5.644 15.236 -6.691 1.00 0.00 C ATOM 402 C ASN A 21 4.725 14.273 -5.944 1.00 0.00 C ATOM 403 O ASN A 21 4.960 13.065 -5.923 1.00 0.00 O ATOM 404 CB ASN A 21 6.338 14.506 -7.842 1.00 0.00 C ATOM 405 CG ASN A 21 5.474 14.436 -9.087 1.00 0.00 C ATOM 406 OD1 ASN A 21 4.164 14.552 -8.905 1.00 0.00 O flip ATOM 407 ND2 ASN A 21 5.979 14.281 -10.199 1.00 0.00 N flip ATOM 0 H ASN A 21 7.423 15.204 -5.583 1.00 0.00 H new ATOM 0 HA ASN A 21 5.039 16.047 -7.096 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.273 15.014 -8.080 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.596 13.496 -7.525 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.991 14.196 -10.292 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.385 14.237 -11.027 1.00 0.00 H new ATOM 414 N TYR A 22 3.679 14.817 -5.332 1.00 0.00 N ATOM 415 CA TYR A 22 2.726 14.008 -4.583 1.00 0.00 C ATOM 416 C TYR A 22 1.687 13.388 -5.512 1.00 0.00 C ATOM 417 O TYR A 22 1.267 12.247 -5.320 1.00 0.00 O ATOM 418 CB TYR A 22 2.031 14.857 -3.517 1.00 0.00 C ATOM 419 CG TYR A 22 2.962 15.808 -2.799 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.335 17.015 -3.378 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.469 15.500 -1.543 1.00 0.00 C ATOM 422 CE1 TYR A 22 4.185 17.887 -2.727 1.00 0.00 C ATOM 423 CE2 TYR A 22 4.319 16.367 -0.883 1.00 0.00 C ATOM 424 CZ TYR A 22 4.674 17.559 -1.479 1.00 0.00 C ATOM 425 OH TYR A 22 5.521 18.425 -0.827 1.00 0.00 O ATOM 0 H TYR A 22 3.470 15.815 -5.340 1.00 0.00 H new ATOM 0 HA TYR A 22 3.277 13.203 -4.096 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.231 15.430 -3.985 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.565 14.197 -2.786 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.953 17.276 -4.354 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.194 14.567 -1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.466 18.821 -3.192 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.703 16.113 0.094 1.00 0.00 H new ATOM 0 HH TYR A 22 5.773 18.045 0.041 1.00 0.00 H new ATOM 435 N ASP A 23 1.277 14.150 -6.521 1.00 0.00 N ATOM 436 CA ASP A 23 0.289 13.677 -7.483 1.00 0.00 C ATOM 437 C ASP A 23 0.741 12.371 -8.130 1.00 0.00 C ATOM 438 O ASP A 23 -0.072 11.489 -8.404 1.00 0.00 O ATOM 439 CB ASP A 23 0.046 14.736 -8.559 1.00 0.00 C ATOM 440 CG ASP A 23 -1.059 14.343 -9.520 1.00 0.00 C ATOM 441 OD1 ASP A 23 -2.166 14.009 -9.046 1.00 0.00 O ATOM 442 OD2 ASP A 23 -0.818 14.371 -10.744 1.00 0.00 O ATOM 0 H ASP A 23 1.614 15.097 -6.693 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.643 13.493 -6.948 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.211 15.682 -8.082 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.968 14.900 -9.117 1.00 0.00 H new ATOM 447 N SER A 24 2.043 12.257 -8.372 1.00 0.00 N ATOM 448 CA SER A 24 2.603 11.061 -8.991 1.00 0.00 C ATOM 449 C SER A 24 2.593 9.888 -8.015 1.00 0.00 C ATOM 450 O SER A 24 2.512 8.729 -8.421 1.00 0.00 O ATOM 451 CB SER A 24 4.031 11.330 -9.469 1.00 0.00 C ATOM 452 OG SER A 24 4.490 10.289 -10.315 1.00 0.00 O ATOM 0 H SER A 24 2.730 12.978 -8.149 1.00 0.00 H new ATOM 0 HA SER A 24 1.983 10.802 -9.849 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.066 12.279 -10.003 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.694 11.423 -8.609 1.00 0.00 H new ATOM 0 HG SER A 24 5.414 10.061 -10.082 1.00 0.00 H new ATOM 458 N ALA A 25 2.676 10.199 -6.725 1.00 0.00 N ATOM 459 CA ALA A 25 2.675 9.173 -5.690 1.00 0.00 C ATOM 460 C ALA A 25 1.282 8.580 -5.507 1.00 0.00 C ATOM 461 O ALA A 25 1.135 7.393 -5.220 1.00 0.00 O ATOM 462 CB ALA A 25 3.183 9.748 -4.377 1.00 0.00 C ATOM 0 H ALA A 25 2.745 11.154 -6.372 1.00 0.00 H new ATOM 0 HA ALA A 25 3.344 8.372 -6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.177 8.971 -3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.200 10.117 -4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.537 10.569 -4.065 1.00 0.00 H new ATOM 468 N MET A 26 0.261 9.416 -5.673 1.00 0.00 N ATOM 469 CA MET A 26 -1.120 8.973 -5.526 1.00 0.00 C ATOM 470 C MET A 26 -1.428 7.825 -6.481 1.00 0.00 C ATOM 471 O MET A 26 -1.864 6.753 -6.059 1.00 0.00 O ATOM 472 CB MET A 26 -2.081 10.136 -5.781 1.00 0.00 C ATOM 473 CG MET A 26 -1.900 11.297 -4.817 1.00 0.00 C ATOM 474 SD MET A 26 -1.772 10.761 -3.101 1.00 0.00 S ATOM 475 CE MET A 26 -0.016 10.431 -2.979 1.00 0.00 C ATOM 0 H MET A 26 0.365 10.403 -5.909 1.00 0.00 H new ATOM 0 HA MET A 26 -1.254 8.617 -4.504 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.941 10.496 -6.800 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.106 9.772 -5.710 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.002 11.853 -5.088 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.742 11.982 -4.918 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.270 10.368 -1.929 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.212 9.488 -3.475 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.540 11.237 -3.459 1.00 0.00 H new ATOM 485 N VAL A 27 -1.198 8.055 -7.770 1.00 0.00 N ATOM 486 CA VAL A 27 -1.450 7.039 -8.785 1.00 0.00 C ATOM 487 C VAL A 27 -0.750 5.730 -8.438 1.00 0.00 C ATOM 488 O VAL A 27 -1.295 4.647 -8.650 1.00 0.00 O ATOM 489 CB VAL A 27 -0.981 7.507 -10.175 1.00 0.00 C ATOM 490 CG1 VAL A 27 -1.204 9.002 -10.339 1.00 0.00 C ATOM 491 CG2 VAL A 27 0.482 7.151 -10.391 1.00 0.00 C ATOM 0 H VAL A 27 -0.838 8.936 -8.136 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.527 6.876 -8.809 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.573 6.991 -10.931 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.866 9.314 -11.327 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.265 9.226 -10.231 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.640 9.540 -9.577 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.797 7.489 -11.378 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.091 7.638 -9.629 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.608 6.071 -10.320 1.00 0.00 H new ATOM 501 N TYR A 28 0.461 5.837 -7.903 1.00 0.00 N ATOM 502 CA TYR A 28 1.238 4.662 -7.527 1.00 0.00 C ATOM 503 C TYR A 28 0.625 3.968 -6.314 1.00 0.00 C ATOM 504 O TYR A 28 0.424 2.754 -6.315 1.00 0.00 O ATOM 505 CB TYR A 28 2.685 5.055 -7.227 1.00 0.00 C ATOM 506 CG TYR A 28 3.598 4.968 -8.429 1.00 0.00 C ATOM 507 CD1 TYR A 28 3.566 5.937 -9.423 1.00 0.00 C ATOM 508 CD2 TYR A 28 4.495 3.915 -8.569 1.00 0.00 C ATOM 509 CE1 TYR A 28 4.398 5.861 -10.523 1.00 0.00 C ATOM 510 CE2 TYR A 28 5.332 3.831 -9.665 1.00 0.00 C ATOM 511 CZ TYR A 28 5.279 4.806 -10.639 1.00 0.00 C ATOM 512 OH TYR A 28 6.111 4.727 -11.733 1.00 0.00 O ATOM 0 H TYR A 28 0.926 6.726 -7.720 1.00 0.00 H new ATOM 0 HA TYR A 28 1.225 3.966 -8.366 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.703 6.074 -6.841 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.072 4.409 -6.440 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.878 6.765 -9.334 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.538 3.150 -7.808 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.359 6.623 -11.287 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.024 3.007 -9.758 1.00 0.00 H new ATOM 0 HH TYR A 28 6.670 3.925 -11.662 1.00 0.00 H new ATOM 522 N TYR A 29 0.330 4.749 -5.281 1.00 0.00 N ATOM 523 CA TYR A 29 -0.258 4.212 -4.060 1.00 0.00 C ATOM 524 C TYR A 29 -1.536 3.436 -4.366 1.00 0.00 C ATOM 525 O TYR A 29 -1.717 2.311 -3.903 1.00 0.00 O ATOM 526 CB TYR A 29 -0.558 5.342 -3.074 1.00 0.00 C ATOM 527 CG TYR A 29 0.590 5.653 -2.141 1.00 0.00 C ATOM 528 CD1 TYR A 29 0.971 4.754 -1.152 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.295 6.845 -2.248 1.00 0.00 C ATOM 530 CE1 TYR A 29 2.019 5.034 -0.297 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.346 7.133 -1.399 1.00 0.00 C ATOM 532 CZ TYR A 29 2.704 6.225 -0.425 1.00 0.00 C ATOM 533 OH TYR A 29 3.749 6.508 0.424 1.00 0.00 O ATOM 0 H TYR A 29 0.489 5.756 -5.265 1.00 0.00 H new ATOM 0 HA TYR A 29 0.462 3.528 -3.611 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.815 6.242 -3.633 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.433 5.074 -2.482 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.438 3.820 -1.050 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.017 7.559 -3.009 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.301 4.325 0.467 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.884 8.064 -1.498 1.00 0.00 H new ATOM 0 HH TYR A 29 4.125 7.385 0.200 1.00 0.00 H new ATOM 543 N GLN A 30 -2.417 4.047 -5.151 1.00 0.00 N ATOM 544 CA GLN A 30 -3.678 3.415 -5.520 1.00 0.00 C ATOM 545 C GLN A 30 -3.435 2.073 -6.203 1.00 0.00 C ATOM 546 O GLN A 30 -4.124 1.091 -5.929 1.00 0.00 O ATOM 547 CB GLN A 30 -4.483 4.332 -6.443 1.00 0.00 C ATOM 548 CG GLN A 30 -5.966 4.004 -6.484 1.00 0.00 C ATOM 549 CD GLN A 30 -6.235 2.512 -6.462 1.00 0.00 C ATOM 550 OE1 GLN A 30 -6.146 1.838 -7.489 1.00 0.00 O ATOM 551 NE2 GLN A 30 -6.565 1.987 -5.288 1.00 0.00 N ATOM 0 H GLN A 30 -2.281 4.979 -5.544 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.248 3.240 -4.607 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.357 5.364 -6.116 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.077 4.265 -7.452 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.461 4.471 -5.633 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.405 4.435 -7.384 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.627 2.583 -4.462 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.756 0.988 -5.212 1.00 0.00 H new ATOM 560 N GLY A 31 -2.449 2.039 -7.095 1.00 0.00 N ATOM 561 CA GLY A 31 -2.133 0.813 -7.804 1.00 0.00 C ATOM 562 C GLY A 31 -1.662 -0.289 -6.875 1.00 0.00 C ATOM 563 O GLY A 31 -2.123 -1.427 -6.965 1.00 0.00 O ATOM 0 H GLY A 31 -1.864 2.838 -7.339 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.015 0.474 -8.348 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.360 1.015 -8.545 1.00 0.00 H new ATOM 567 N VAL A 32 -0.738 0.048 -5.981 1.00 0.00 N ATOM 568 CA VAL A 32 -0.203 -0.921 -5.032 1.00 0.00 C ATOM 569 C VAL A 32 -1.321 -1.585 -4.235 1.00 0.00 C ATOM 570 O VAL A 32 -1.441 -2.811 -4.217 1.00 0.00 O ATOM 571 CB VAL A 32 0.788 -0.262 -4.054 1.00 0.00 C ATOM 572 CG1 VAL A 32 1.105 -1.201 -2.900 1.00 0.00 C ATOM 573 CG2 VAL A 32 2.058 0.151 -4.781 1.00 0.00 C ATOM 0 H VAL A 32 -0.344 0.985 -5.894 1.00 0.00 H new ATOM 0 HA VAL A 32 0.323 -1.677 -5.615 1.00 0.00 H new ATOM 0 HB VAL A 32 0.324 0.635 -3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.807 -0.718 -2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.187 -1.441 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.549 -2.118 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.747 0.615 -4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.527 -0.729 -5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.811 0.863 -5.568 1.00 0.00 H new ATOM 583 N LEU A 33 -2.137 -0.768 -3.579 1.00 0.00 N ATOM 584 CA LEU A 33 -3.247 -1.276 -2.780 1.00 0.00 C ATOM 585 C LEU A 33 -4.146 -2.185 -3.612 1.00 0.00 C ATOM 586 O LEU A 33 -4.551 -3.256 -3.160 1.00 0.00 O ATOM 587 CB LEU A 33 -4.064 -0.115 -2.210 1.00 0.00 C ATOM 588 CG LEU A 33 -3.297 0.882 -1.339 1.00 0.00 C ATOM 589 CD1 LEU A 33 -4.009 2.225 -1.312 1.00 0.00 C ATOM 590 CD2 LEU A 33 -3.128 0.337 0.072 1.00 0.00 C ATOM 0 H LEU A 33 -2.051 0.248 -3.584 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.833 -1.859 -1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.513 0.429 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.882 -0.528 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.307 1.028 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.449 2.921 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.078 2.621 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.011 2.097 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.580 1.059 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.109 0.162 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.574 -0.601 0.036 1.00 0.00 H new ATOM 602 N ASP A 34 -4.452 -1.751 -4.829 1.00 0.00 N ATOM 603 CA ASP A 34 -5.300 -2.528 -5.726 1.00 0.00 C ATOM 604 C ASP A 34 -4.644 -3.859 -6.078 1.00 0.00 C ATOM 605 O ASP A 34 -5.295 -4.903 -6.072 1.00 0.00 O ATOM 606 CB ASP A 34 -5.590 -1.735 -7.002 1.00 0.00 C ATOM 607 CG ASP A 34 -6.840 -0.885 -6.884 1.00 0.00 C ATOM 608 OD1 ASP A 34 -7.273 -0.622 -5.743 1.00 0.00 O ATOM 609 OD2 ASP A 34 -7.384 -0.483 -7.933 1.00 0.00 O ATOM 0 H ASP A 34 -4.126 -0.866 -5.217 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.239 -2.732 -5.212 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.738 -1.094 -7.229 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.701 -2.425 -7.838 1.00 0.00 H new ATOM 614 N GLN A 35 -3.351 -3.813 -6.385 1.00 0.00 N ATOM 615 CA GLN A 35 -2.608 -5.016 -6.742 1.00 0.00 C ATOM 616 C GLN A 35 -2.450 -5.936 -5.535 1.00 0.00 C ATOM 617 O GLN A 35 -2.405 -7.157 -5.676 1.00 0.00 O ATOM 618 CB GLN A 35 -1.233 -4.645 -7.298 1.00 0.00 C ATOM 619 CG GLN A 35 -1.295 -3.833 -8.582 1.00 0.00 C ATOM 620 CD GLN A 35 -1.442 -4.702 -9.816 1.00 0.00 C ATOM 621 OE1 GLN A 35 -2.660 -4.789 -10.337 1.00 0.00 O flip ATOM 622 NE2 GLN A 35 -0.471 -5.289 -10.295 1.00 0.00 N flip ATOM 0 H GLN A 35 -2.797 -2.957 -6.394 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.171 -5.547 -7.510 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.687 -4.077 -6.545 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.666 -5.558 -7.482 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.134 -3.140 -8.529 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.390 -3.232 -8.671 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.447 -5.194 -9.862 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.585 -5.871 -11.125 1.00 0.00 H new ATOM 631 N MET A 36 -2.367 -5.340 -4.350 1.00 0.00 N ATOM 632 CA MET A 36 -2.215 -6.107 -3.119 1.00 0.00 C ATOM 633 C MET A 36 -3.450 -6.962 -2.855 1.00 0.00 C ATOM 634 O MET A 36 -3.344 -8.163 -2.612 1.00 0.00 O ATOM 635 CB MET A 36 -1.968 -5.168 -1.936 1.00 0.00 C ATOM 636 CG MET A 36 -0.504 -4.811 -1.739 1.00 0.00 C ATOM 637 SD MET A 36 0.352 -5.963 -0.649 1.00 0.00 S ATOM 638 CE MET A 36 -0.302 -5.472 0.944 1.00 0.00 C ATOM 0 H MET A 36 -2.402 -4.329 -4.216 1.00 0.00 H new ATOM 0 HA MET A 36 -1.356 -6.768 -3.235 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.540 -4.252 -2.084 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.345 -5.636 -1.027 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.005 -4.795 -2.708 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.432 -3.805 -1.326 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.482 -5.545 1.697 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.659 -4.444 0.889 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.128 -6.129 1.216 1.00 0.00 H new ATOM 648 N ASN A 37 -4.621 -6.335 -2.904 1.00 0.00 N ATOM 649 CA ASN A 37 -5.876 -7.039 -2.670 1.00 0.00 C ATOM 650 C ASN A 37 -6.003 -8.247 -3.593 1.00 0.00 C ATOM 651 O ASN A 37 -6.300 -9.355 -3.147 1.00 0.00 O ATOM 652 CB ASN A 37 -7.062 -6.095 -2.880 1.00 0.00 C ATOM 653 CG ASN A 37 -7.476 -5.393 -1.602 1.00 0.00 C ATOM 654 OD1 ASN A 37 -7.486 -5.992 -0.526 1.00 0.00 O ATOM 655 ND2 ASN A 37 -7.820 -4.115 -1.714 1.00 0.00 N ATOM 0 H ASN A 37 -4.727 -5.340 -3.104 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.879 -7.391 -1.638 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.801 -5.350 -3.632 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.908 -6.660 -3.271 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.107 -3.590 -0.888 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.797 -3.659 -2.626 1.00 0.00 H new ATOM 662 N LYS A 38 -5.775 -8.025 -4.883 1.00 0.00 N ATOM 663 CA LYS A 38 -5.861 -9.094 -5.871 1.00 0.00 C ATOM 664 C LYS A 38 -5.013 -10.291 -5.453 1.00 0.00 C ATOM 665 O LYS A 38 -5.372 -11.440 -5.712 1.00 0.00 O ATOM 666 CB LYS A 38 -5.407 -8.587 -7.242 1.00 0.00 C ATOM 667 CG LYS A 38 -6.233 -7.425 -7.765 1.00 0.00 C ATOM 668 CD LYS A 38 -5.489 -6.652 -8.841 1.00 0.00 C ATOM 669 CE LYS A 38 -6.001 -5.225 -8.957 1.00 0.00 C ATOM 670 NZ LYS A 38 -7.102 -5.109 -9.953 1.00 0.00 N ATOM 0 H LYS A 38 -5.529 -7.113 -5.269 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.901 -9.413 -5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.363 -8.280 -7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.456 -9.408 -7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.174 -7.799 -8.169 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.483 -6.756 -6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.424 -6.640 -8.611 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.602 -7.159 -9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.355 -4.886 -7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.181 -4.567 -9.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.423 -4.121 -10.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.758 -5.408 -10.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.895 -5.717 -9.666 1.00 0.00 H new ATOM 684 N TYR A 39 -3.887 -10.014 -4.805 1.00 0.00 N ATOM 685 CA TYR A 39 -2.987 -11.068 -4.352 1.00 0.00 C ATOM 686 C TYR A 39 -3.601 -11.848 -3.192 1.00 0.00 C ATOM 687 O TYR A 39 -3.706 -13.074 -3.239 1.00 0.00 O ATOM 688 CB TYR A 39 -1.644 -10.473 -3.927 1.00 0.00 C ATOM 689 CG TYR A 39 -0.628 -11.511 -3.505 1.00 0.00 C ATOM 690 CD1 TYR A 39 -0.775 -12.213 -2.315 1.00 0.00 C ATOM 691 CD2 TYR A 39 0.478 -11.791 -4.298 1.00 0.00 C ATOM 692 CE1 TYR A 39 0.151 -13.161 -1.926 1.00 0.00 C ATOM 693 CE2 TYR A 39 1.409 -12.738 -3.917 1.00 0.00 C ATOM 694 CZ TYR A 39 1.241 -13.421 -2.730 1.00 0.00 C ATOM 695 OH TYR A 39 2.165 -14.366 -2.347 1.00 0.00 O ATOM 0 H TYR A 39 -3.576 -9.069 -4.582 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.826 -11.755 -5.183 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.236 -9.892 -4.754 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.808 -9.780 -3.101 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.628 -12.014 -1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.612 -11.259 -5.228 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.022 -13.696 -0.997 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.264 -12.943 -4.545 1.00 0.00 H new ATOM 0 HH TYR A 39 2.327 -14.985 -3.089 1.00 0.00 H new ATOM 705 N LEU A 40 -4.005 -11.127 -2.153 1.00 0.00 N ATOM 706 CA LEU A 40 -4.610 -11.748 -0.979 1.00 0.00 C ATOM 707 C LEU A 40 -5.816 -12.596 -1.373 1.00 0.00 C ATOM 708 O LEU A 40 -6.056 -13.657 -0.796 1.00 0.00 O ATOM 709 CB LEU A 40 -5.032 -10.678 0.029 1.00 0.00 C ATOM 710 CG LEU A 40 -4.177 -9.411 0.059 1.00 0.00 C ATOM 711 CD1 LEU A 40 -4.491 -8.585 1.297 1.00 0.00 C ATOM 712 CD2 LEU A 40 -2.698 -9.764 0.013 1.00 0.00 C ATOM 0 H LEU A 40 -3.925 -10.112 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.866 -12.398 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.062 -10.392 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.024 -11.122 1.025 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.415 -8.814 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.873 -7.687 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.543 -8.301 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.282 -9.174 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.105 -8.850 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.444 -10.382 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.483 -10.314 -0.904 1.00 0.00 H new ATOM 724 N TYR A 41 -6.569 -12.122 -2.359 1.00 0.00 N ATOM 725 CA TYR A 41 -7.750 -12.836 -2.830 1.00 0.00 C ATOM 726 C TYR A 41 -7.362 -14.164 -3.474 1.00 0.00 C ATOM 727 O TYR A 41 -8.138 -15.119 -3.468 1.00 0.00 O ATOM 728 CB TYR A 41 -8.525 -11.978 -3.830 1.00 0.00 C ATOM 729 CG TYR A 41 -10.019 -12.209 -3.796 1.00 0.00 C ATOM 730 CD1 TYR A 41 -10.580 -13.345 -4.366 1.00 0.00 C ATOM 731 CD2 TYR A 41 -10.870 -11.291 -3.191 1.00 0.00 C ATOM 732 CE1 TYR A 41 -11.944 -13.559 -4.338 1.00 0.00 C ATOM 733 CE2 TYR A 41 -12.236 -11.499 -3.156 1.00 0.00 C ATOM 734 CZ TYR A 41 -12.768 -12.634 -3.732 1.00 0.00 C ATOM 735 OH TYR A 41 -14.127 -12.845 -3.700 1.00 0.00 O ATOM 0 H TYR A 41 -6.383 -11.246 -2.848 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.387 -13.042 -1.970 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.324 -10.926 -3.626 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.157 -12.184 -4.835 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.938 -14.073 -4.839 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.457 -10.400 -2.741 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.363 -14.446 -4.788 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.883 -10.777 -2.680 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.563 -12.100 -3.236 1.00 0.00 H new ATOM 745 N SER A 42 -6.156 -14.215 -4.030 1.00 0.00 N ATOM 746 CA SER A 42 -5.665 -15.423 -4.682 1.00 0.00 C ATOM 747 C SER A 42 -4.948 -16.326 -3.683 1.00 0.00 C ATOM 748 O SER A 42 -4.338 -17.327 -4.060 1.00 0.00 O ATOM 749 CB SER A 42 -4.720 -15.061 -5.829 1.00 0.00 C ATOM 750 OG SER A 42 -3.421 -14.766 -5.346 1.00 0.00 O ATOM 0 H SER A 42 -5.501 -13.433 -4.042 1.00 0.00 H new ATOM 0 HA SER A 42 -6.522 -15.963 -5.084 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.669 -15.888 -6.537 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.114 -14.201 -6.371 1.00 0.00 H new ATOM 0 HG SER A 42 -3.488 -14.167 -4.573 1.00 0.00 H new ATOM 756 N VAL A 43 -5.026 -15.965 -2.406 1.00 0.00 N ATOM 757 CA VAL A 43 -4.385 -16.742 -1.352 1.00 0.00 C ATOM 758 C VAL A 43 -5.263 -17.913 -0.922 1.00 0.00 C ATOM 759 O VAL A 43 -6.477 -17.899 -1.123 1.00 0.00 O ATOM 760 CB VAL A 43 -4.074 -15.869 -0.122 1.00 0.00 C ATOM 761 CG1 VAL A 43 -3.447 -16.707 0.983 1.00 0.00 C ATOM 762 CG2 VAL A 43 -3.164 -14.713 -0.506 1.00 0.00 C ATOM 0 H VAL A 43 -5.527 -15.140 -2.077 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.450 -17.124 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.010 -15.456 0.254 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.234 -16.073 1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.138 -17.498 1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.520 -17.151 0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.955 -14.107 0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.229 -15.104 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.655 -14.099 -1.261 1.00 0.00 H new ATOM 772 N LYS A 44 -4.640 -18.925 -0.328 1.00 0.00 N ATOM 773 CA LYS A 44 -5.363 -20.104 0.133 1.00 0.00 C ATOM 774 C LYS A 44 -5.405 -20.155 1.657 1.00 0.00 C ATOM 775 O LYS A 44 -6.358 -20.668 2.244 1.00 0.00 O ATOM 776 CB LYS A 44 -4.707 -21.375 -0.412 1.00 0.00 C ATOM 777 CG LYS A 44 -4.888 -21.559 -1.909 1.00 0.00 C ATOM 778 CD LYS A 44 -3.758 -20.910 -2.691 1.00 0.00 C ATOM 779 CE LYS A 44 -4.030 -20.936 -4.187 1.00 0.00 C ATOM 780 NZ LYS A 44 -4.109 -22.327 -4.712 1.00 0.00 N ATOM 0 H LYS A 44 -3.635 -18.952 -0.154 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.385 -20.041 -0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.641 -21.350 -0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.124 -22.239 0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.930 -22.623 -2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.840 -21.127 -2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.631 -19.879 -2.361 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.823 -21.430 -2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.965 -20.416 -4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.241 -20.395 -4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.211 -22.302 -5.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.241 -22.842 -4.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.931 -22.809 -4.295 1.00 0.00 H new ATOM 794 N ASP A 45 -4.369 -19.618 2.291 1.00 0.00 N ATOM 795 CA ASP A 45 -4.289 -19.600 3.747 1.00 0.00 C ATOM 796 C ASP A 45 -4.886 -18.313 4.308 1.00 0.00 C ATOM 797 O ASP A 45 -4.298 -17.238 4.186 1.00 0.00 O ATOM 798 CB ASP A 45 -2.836 -19.743 4.202 1.00 0.00 C ATOM 799 CG ASP A 45 -2.175 -20.989 3.645 1.00 0.00 C ATOM 800 OD1 ASP A 45 -2.626 -22.102 3.987 1.00 0.00 O ATOM 801 OD2 ASP A 45 -1.207 -20.851 2.868 1.00 0.00 O ATOM 0 H ASP A 45 -3.573 -19.189 1.820 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.865 -20.443 4.128 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.272 -18.865 3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.800 -19.772 5.291 1.00 0.00 H new ATOM 806 N THR A 46 -6.059 -18.430 4.923 1.00 0.00 N ATOM 807 CA THR A 46 -6.737 -17.276 5.501 1.00 0.00 C ATOM 808 C THR A 46 -5.809 -16.499 6.427 1.00 0.00 C ATOM 809 O THR A 46 -5.856 -15.270 6.481 1.00 0.00 O ATOM 810 CB THR A 46 -7.993 -17.698 6.287 1.00 0.00 C ATOM 811 OG1 THR A 46 -7.640 -18.643 7.303 1.00 0.00 O ATOM 812 CG2 THR A 46 -9.033 -18.307 5.359 1.00 0.00 C ATOM 0 H THR A 46 -6.559 -19.312 5.034 1.00 0.00 H new ATOM 0 HA THR A 46 -7.035 -16.636 4.670 1.00 0.00 H new ATOM 0 HB THR A 46 -8.420 -16.809 6.751 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.443 -18.905 7.799 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.911 -18.597 5.937 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.321 -17.575 4.605 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.614 -19.186 4.870 1.00 0.00 H new ATOM 820 N HIS A 47 -4.964 -17.224 7.154 1.00 0.00 N ATOM 821 CA HIS A 47 -4.022 -16.601 8.078 1.00 0.00 C ATOM 822 C HIS A 47 -2.961 -15.809 7.320 1.00 0.00 C ATOM 823 O HIS A 47 -2.427 -14.823 7.829 1.00 0.00 O ATOM 824 CB HIS A 47 -3.355 -17.664 8.952 1.00 0.00 C ATOM 825 CG HIS A 47 -4.292 -18.741 9.405 1.00 0.00 C ATOM 826 ND1 HIS A 47 -4.327 -19.996 8.836 1.00 0.00 N ATOM 827 CD2 HIS A 47 -5.230 -18.745 10.381 1.00 0.00 C ATOM 828 CE1 HIS A 47 -5.247 -20.726 9.441 1.00 0.00 C ATOM 829 NE2 HIS A 47 -5.810 -19.990 10.383 1.00 0.00 N ATOM 0 H HIS A 47 -4.912 -18.242 7.121 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.577 -15.913 8.716 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.535 -18.118 8.396 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.919 -17.182 9.827 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.476 -17.922 11.036 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.496 -21.750 9.206 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.554 -20.297 11.010 1.00 0.00 H new ATOM 838 N LEU A 48 -2.661 -16.246 6.102 1.00 0.00 N ATOM 839 CA LEU A 48 -1.663 -15.578 5.274 1.00 0.00 C ATOM 840 C LEU A 48 -2.192 -14.247 4.751 1.00 0.00 C ATOM 841 O LEU A 48 -1.545 -13.210 4.896 1.00 0.00 O ATOM 842 CB LEU A 48 -1.259 -16.476 4.103 1.00 0.00 C ATOM 843 CG LEU A 48 -0.056 -16.008 3.283 1.00 0.00 C ATOM 844 CD1 LEU A 48 0.402 -17.106 2.335 1.00 0.00 C ATOM 845 CD2 LEU A 48 -0.397 -14.742 2.511 1.00 0.00 C ATOM 0 H LEU A 48 -3.094 -17.060 5.666 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.787 -15.382 5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.044 -17.471 4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.114 -16.573 3.434 1.00 0.00 H new ATOM 0 HG LEU A 48 0.762 -15.782 3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.259 -16.756 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.687 -17.987 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.411 -17.363 1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.471 -14.423 1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.229 -14.941 1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.677 -13.954 3.210 1.00 0.00 H new ATOM 857 N ARG A 49 -3.374 -14.284 4.143 1.00 0.00 N ATOM 858 CA ARG A 49 -3.991 -13.080 3.598 1.00 0.00 C ATOM 859 C ARG A 49 -4.351 -12.103 4.713 1.00 0.00 C ATOM 860 O ARG A 49 -4.054 -10.912 4.626 1.00 0.00 O ATOM 861 CB ARG A 49 -5.243 -13.442 2.797 1.00 0.00 C ATOM 862 CG ARG A 49 -5.981 -14.656 3.336 1.00 0.00 C ATOM 863 CD ARG A 49 -7.374 -14.772 2.736 1.00 0.00 C ATOM 864 NE ARG A 49 -8.144 -13.542 2.898 1.00 0.00 N ATOM 865 CZ ARG A 49 -8.755 -13.201 4.028 1.00 0.00 C ATOM 866 NH1 ARG A 49 -8.686 -13.994 5.088 1.00 0.00 N ATOM 867 NH2 ARG A 49 -9.437 -12.065 4.097 1.00 0.00 N ATOM 0 H ARG A 49 -3.923 -15.134 4.016 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.271 -12.599 2.936 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.920 -12.588 2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.960 -13.630 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.411 -15.558 3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.056 -14.586 4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.293 -15.012 1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.905 -15.597 3.210 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.217 -12.910 2.101 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.163 -14.868 5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.156 -13.730 5.954 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.492 -11.453 3.283 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.906 -11.804 4.964 1.00 0.00 H new ATOM 881 N GLN A 50 -4.994 -12.615 5.758 1.00 0.00 N ATOM 882 CA GLN A 50 -5.395 -11.786 6.888 1.00 0.00 C ATOM 883 C GLN A 50 -4.212 -10.990 7.427 1.00 0.00 C ATOM 884 O GLN A 50 -4.371 -9.864 7.901 1.00 0.00 O ATOM 885 CB GLN A 50 -5.990 -12.655 7.998 1.00 0.00 C ATOM 886 CG GLN A 50 -4.948 -13.230 8.944 1.00 0.00 C ATOM 887 CD GLN A 50 -5.566 -13.898 10.156 1.00 0.00 C ATOM 888 OE1 GLN A 50 -6.704 -14.552 9.956 1.00 0.00 O flip ATOM 889 NE2 GLN A 50 -5.026 -13.828 11.261 1.00 0.00 N flip ATOM 0 H GLN A 50 -5.248 -13.599 5.845 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.152 -11.083 6.541 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.701 -12.061 8.572 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.550 -13.474 7.546 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.336 -13.955 8.407 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.282 -12.432 9.273 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.151 -13.315 11.370 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.454 -14.283 12.067 1.00 0.00 H new ATOM 898 N LYS A 51 -3.024 -11.582 7.353 1.00 0.00 N ATOM 899 CA LYS A 51 -1.812 -10.928 7.833 1.00 0.00 C ATOM 900 C LYS A 51 -1.490 -9.696 6.994 1.00 0.00 C ATOM 901 O LYS A 51 -1.153 -8.640 7.529 1.00 0.00 O ATOM 902 CB LYS A 51 -0.634 -11.904 7.799 1.00 0.00 C ATOM 903 CG LYS A 51 0.481 -11.546 8.765 1.00 0.00 C ATOM 904 CD LYS A 51 0.233 -12.131 10.145 1.00 0.00 C ATOM 905 CE LYS A 51 1.050 -11.415 11.210 1.00 0.00 C ATOM 906 NZ LYS A 51 0.726 -9.963 11.276 1.00 0.00 N ATOM 0 H LYS A 51 -2.875 -12.514 6.965 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.983 -10.610 8.862 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.996 -12.906 8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.230 -11.937 6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.431 -11.915 8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.566 -10.462 8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.827 -12.057 10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.486 -13.191 10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.862 -11.873 12.181 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.112 -11.541 10.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.931 -9.605 12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.302 -9.447 10.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.282 -9.822 11.063 1.00 0.00 H new ATOM 920 N TRP A 52 -1.597 -9.838 5.678 1.00 0.00 N ATOM 921 CA TRP A 52 -1.318 -8.735 4.765 1.00 0.00 C ATOM 922 C TRP A 52 -2.426 -7.690 4.820 1.00 0.00 C ATOM 923 O TRP A 52 -2.170 -6.495 4.675 1.00 0.00 O ATOM 924 CB TRP A 52 -1.161 -9.256 3.336 1.00 0.00 C ATOM 925 CG TRP A 52 0.052 -10.115 3.146 1.00 0.00 C ATOM 926 CD1 TRP A 52 0.076 -11.435 2.795 1.00 0.00 C ATOM 927 CD2 TRP A 52 1.418 -9.715 3.299 1.00 0.00 C ATOM 928 NE1 TRP A 52 1.374 -11.879 2.720 1.00 0.00 N ATOM 929 CE2 TRP A 52 2.216 -10.842 3.024 1.00 0.00 C ATOM 930 CE3 TRP A 52 2.045 -8.513 3.639 1.00 0.00 C ATOM 931 CZ2 TRP A 52 3.607 -10.801 3.082 1.00 0.00 C ATOM 932 CZ3 TRP A 52 3.425 -8.474 3.696 1.00 0.00 C ATOM 933 CH2 TRP A 52 4.194 -9.612 3.418 1.00 0.00 C ATOM 0 H TRP A 52 -1.875 -10.706 5.219 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.385 -8.265 5.077 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.048 -9.829 3.066 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.108 -8.409 2.652 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.797 -12.041 2.604 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.664 -12.826 2.477 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.461 -7.630 3.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.201 -11.677 2.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.919 -7.551 3.959 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.271 -9.549 3.470 1.00 0.00 H new ATOM 944 N GLN A 53 -3.656 -8.147 5.030 1.00 0.00 N ATOM 945 CA GLN A 53 -4.803 -7.250 5.103 1.00 0.00 C ATOM 946 C GLN A 53 -4.586 -6.176 6.164 1.00 0.00 C ATOM 947 O GLN A 53 -4.982 -5.024 5.984 1.00 0.00 O ATOM 948 CB GLN A 53 -6.076 -8.039 5.411 1.00 0.00 C ATOM 949 CG GLN A 53 -7.352 -7.236 5.214 1.00 0.00 C ATOM 950 CD GLN A 53 -7.547 -6.179 6.282 1.00 0.00 C ATOM 951 OE1 GLN A 53 -7.473 -4.981 6.007 1.00 0.00 O ATOM 952 NE2 GLN A 53 -7.797 -6.616 7.510 1.00 0.00 N ATOM 0 H GLN A 53 -3.884 -9.134 5.153 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.913 -6.762 4.135 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.110 -8.922 4.772 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.034 -8.392 6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.328 -6.758 4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.207 -7.913 5.217 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.850 -7.618 7.694 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.936 -5.950 8.270 1.00 0.00 H new ATOM 961 N GLN A 54 -3.957 -6.561 7.269 1.00 0.00 N ATOM 962 CA GLN A 54 -3.690 -5.631 8.360 1.00 0.00 C ATOM 963 C GLN A 54 -2.737 -4.528 7.912 1.00 0.00 C ATOM 964 O GLN A 54 -2.910 -3.362 8.268 1.00 0.00 O ATOM 965 CB GLN A 54 -3.102 -6.374 9.560 1.00 0.00 C ATOM 966 CG GLN A 54 -2.705 -5.459 10.707 1.00 0.00 C ATOM 967 CD GLN A 54 -3.848 -4.580 11.175 1.00 0.00 C ATOM 968 OE1 GLN A 54 -4.478 -4.966 12.279 1.00 0.00 O flip ATOM 969 NE2 GLN A 54 -4.162 -3.566 10.552 1.00 0.00 N flip ATOM 0 H GLN A 54 -3.623 -7.511 7.433 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.635 -5.173 8.654 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.831 -7.099 9.921 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.227 -6.937 9.235 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.351 -6.063 11.542 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.873 -4.829 10.393 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.650 -3.307 9.708 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.934 -2.985 10.879 1.00 0.00 H new ATOM 978 N VAL A 55 -1.730 -4.904 7.131 1.00 0.00 N ATOM 979 CA VAL A 55 -0.749 -3.946 6.634 1.00 0.00 C ATOM 980 C VAL A 55 -1.342 -3.073 5.534 1.00 0.00 C ATOM 981 O VAL A 55 -1.005 -1.894 5.414 1.00 0.00 O ATOM 982 CB VAL A 55 0.505 -4.657 6.090 1.00 0.00 C ATOM 983 CG1 VAL A 55 1.533 -3.641 5.618 1.00 0.00 C ATOM 984 CG2 VAL A 55 1.097 -5.575 7.149 1.00 0.00 C ATOM 0 H VAL A 55 -1.572 -5.865 6.828 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.464 -3.318 7.478 1.00 0.00 H new ATOM 0 HB VAL A 55 0.214 -5.266 5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.411 -4.162 5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.102 -3.029 4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.823 -3.003 6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.982 -6.069 6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.374 -4.989 8.025 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.360 -6.326 7.433 1.00 0.00 H new ATOM 994 N TRP A 56 -2.225 -3.658 4.733 1.00 0.00 N ATOM 995 CA TRP A 56 -2.866 -2.933 3.642 1.00 0.00 C ATOM 996 C TRP A 56 -3.517 -1.651 4.149 1.00 0.00 C ATOM 997 O TRP A 56 -3.574 -0.650 3.436 1.00 0.00 O ATOM 998 CB TRP A 56 -3.912 -3.816 2.960 1.00 0.00 C ATOM 999 CG TRP A 56 -4.588 -3.148 1.801 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -4.241 -3.245 0.484 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -5.725 -2.281 1.856 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -5.095 -2.490 -0.284 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -6.015 -1.889 0.534 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -6.529 -1.799 2.893 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -7.072 -1.037 0.225 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -7.578 -0.953 2.584 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -7.842 -0.580 1.260 1.00 0.00 C ATOM 0 H TRP A 56 -2.514 -4.633 4.818 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.098 -2.666 2.916 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.434 -4.732 2.614 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -4.665 -4.107 3.692 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.417 -3.829 0.102 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.051 -2.393 -1.298 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.334 -2.082 3.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.277 -0.747 -0.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -8.205 -0.573 3.377 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.670 0.082 1.052 1.00 0.00 H new ATOM 1018 N GLN A 57 -4.007 -1.689 5.384 1.00 0.00 N ATOM 1019 CA GLN A 57 -4.655 -0.530 5.985 1.00 0.00 C ATOM 1020 C GLN A 57 -3.659 0.609 6.183 1.00 0.00 C ATOM 1021 O GLN A 57 -3.984 1.775 5.961 1.00 0.00 O ATOM 1022 CB GLN A 57 -5.286 -0.909 7.326 1.00 0.00 C ATOM 1023 CG GLN A 57 -6.667 -1.531 7.194 1.00 0.00 C ATOM 1024 CD GLN A 57 -7.701 -0.551 6.677 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -7.542 0.663 6.805 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -8.770 -1.074 6.087 1.00 0.00 N ATOM 0 H GLN A 57 -3.967 -2.510 5.988 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.438 -0.191 5.306 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.629 -1.609 7.842 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.356 -0.018 7.950 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.613 -2.386 6.520 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.985 -1.910 8.165 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.862 -2.086 6.002 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.499 -0.463 5.719 1.00 0.00 H new ATOM 1035 N GLU A 58 -2.446 0.261 6.602 1.00 0.00 N ATOM 1036 CA GLU A 58 -1.404 1.255 6.830 1.00 0.00 C ATOM 1037 C GLU A 58 -0.964 1.894 5.516 1.00 0.00 C ATOM 1038 O GLU A 58 -0.616 3.075 5.473 1.00 0.00 O ATOM 1039 CB GLU A 58 -0.201 0.615 7.527 1.00 0.00 C ATOM 1040 CG GLU A 58 -0.545 -0.045 8.851 1.00 0.00 C ATOM 1041 CD GLU A 58 0.411 -1.165 9.211 1.00 0.00 C ATOM 1042 OE1 GLU A 58 1.635 -0.977 9.047 1.00 0.00 O ATOM 1043 OE2 GLU A 58 -0.064 -2.230 9.657 1.00 0.00 O ATOM 0 H GLU A 58 -2.161 -0.700 6.790 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.815 2.034 7.473 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.239 -0.129 6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.558 1.379 7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.533 0.706 9.641 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.560 -0.440 8.803 1.00 0.00 H new ATOM 1050 N ILE A 59 -0.981 1.105 4.447 1.00 0.00 N ATOM 1051 CA ILE A 59 -0.584 1.593 3.132 1.00 0.00 C ATOM 1052 C ILE A 59 -1.603 2.586 2.584 1.00 0.00 C ATOM 1053 O ILE A 59 -1.243 3.564 1.929 1.00 0.00 O ATOM 1054 CB ILE A 59 -0.420 0.437 2.128 1.00 0.00 C ATOM 1055 CG1 ILE A 59 0.594 -0.582 2.653 1.00 0.00 C ATOM 1056 CG2 ILE A 59 0.012 0.971 0.771 1.00 0.00 C ATOM 1057 CD1 ILE A 59 0.688 -1.832 1.806 1.00 0.00 C ATOM 0 H ILE A 59 -1.265 0.126 4.466 1.00 0.00 H new ATOM 0 HA ILE A 59 0.376 2.093 3.258 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.382 -0.062 2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.576 -0.112 2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.322 -0.862 3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.124 0.142 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.742 1.663 0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.964 1.492 0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.425 -2.509 2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.284 -2.325 1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.990 -1.564 0.794 1.00 0.00 H new ATOM 1069 N ASN A 60 -2.878 2.329 2.857 1.00 0.00 N ATOM 1070 CA ASN A 60 -3.951 3.201 2.393 1.00 0.00 C ATOM 1071 C ASN A 60 -3.926 4.535 3.132 1.00 0.00 C ATOM 1072 O ASN A 60 -3.946 5.600 2.515 1.00 0.00 O ATOM 1073 CB ASN A 60 -5.308 2.523 2.587 1.00 0.00 C ATOM 1074 CG ASN A 60 -6.430 3.522 2.790 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -6.623 3.951 4.032 1.00 0.00 O flip ATOM 1076 ND2 ASN A 60 -7.116 3.905 1.841 1.00 0.00 N flip ATOM 0 H ASN A 60 -3.194 1.524 3.397 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.797 3.391 1.331 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.529 1.904 1.718 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.258 1.857 3.448 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.933 3.549 0.903 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.867 4.578 1.993 1.00 0.00 H new ATOM 1083 N VAL A 61 -3.882 4.469 4.459 1.00 0.00 N ATOM 1084 CA VAL A 61 -3.853 5.671 5.284 1.00 0.00 C ATOM 1085 C VAL A 61 -2.643 6.537 4.952 1.00 0.00 C ATOM 1086 O VAL A 61 -2.711 7.764 5.009 1.00 0.00 O ATOM 1087 CB VAL A 61 -3.825 5.322 6.784 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -2.466 4.763 7.176 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -4.169 6.545 7.622 1.00 0.00 C ATOM 0 H VAL A 61 -3.866 3.596 4.986 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.765 6.227 5.065 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.576 4.556 6.975 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.465 4.522 8.239 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.264 3.861 6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.694 5.505 6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.145 6.280 8.679 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.443 7.335 7.429 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.166 6.897 7.359 1.00 0.00 H new ATOM 1099 N GLU A 62 -1.536 5.888 4.603 1.00 0.00 N ATOM 1100 CA GLU A 62 -0.310 6.599 4.262 1.00 0.00 C ATOM 1101 C GLU A 62 -0.523 7.500 3.049 1.00 0.00 C ATOM 1102 O GLU A 62 -0.107 8.658 3.042 1.00 0.00 O ATOM 1103 CB GLU A 62 0.821 5.607 3.981 1.00 0.00 C ATOM 1104 CG GLU A 62 2.108 6.266 3.515 1.00 0.00 C ATOM 1105 CD GLU A 62 3.332 5.413 3.787 1.00 0.00 C ATOM 1106 OE1 GLU A 62 3.210 4.171 3.753 1.00 0.00 O ATOM 1107 OE2 GLU A 62 4.412 5.989 4.033 1.00 0.00 O ATOM 0 H GLU A 62 -1.464 4.872 4.549 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.034 7.222 5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.023 5.034 4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.491 4.898 3.222 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.041 6.469 2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.221 7.228 4.016 1.00 0.00 H new ATOM 1114 N ALA A 63 -1.174 6.959 2.024 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.445 7.713 0.807 1.00 0.00 C ATOM 1116 C ALA A 63 -2.282 8.953 1.103 1.00 0.00 C ATOM 1117 O ALA A 63 -2.154 9.977 0.432 1.00 0.00 O ATOM 1118 CB ALA A 63 -2.147 6.832 -0.215 1.00 0.00 C ATOM 0 H ALA A 63 -1.523 6.001 2.013 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.491 8.041 0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.343 7.409 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.512 5.980 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.090 6.475 0.199 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.140 8.854 2.113 1.00 0.00 N ATOM 1125 CA LYS A 64 -3.999 9.967 2.500 1.00 0.00 C ATOM 1126 C LYS A 64 -3.176 11.112 3.082 1.00 0.00 C ATOM 1127 O LYS A 64 -3.423 12.280 2.781 1.00 0.00 O ATOM 1128 CB LYS A 64 -5.040 9.504 3.521 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.302 10.348 3.529 1.00 0.00 C ATOM 1130 CD LYS A 64 -6.191 11.508 4.503 1.00 0.00 C ATOM 1131 CE LYS A 64 -6.350 11.044 5.943 1.00 0.00 C ATOM 1132 NZ LYS A 64 -6.629 12.180 6.865 1.00 0.00 N ATOM 0 H LYS A 64 -3.259 8.014 2.679 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.510 10.326 1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.307 8.468 3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.594 9.523 4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.491 10.731 2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.155 9.726 3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.224 11.995 4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.954 12.252 4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.162 10.320 6.003 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.442 10.532 6.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.731 11.822 7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.842 12.859 6.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.509 12.653 6.577 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.197 10.770 3.913 1.00 0.00 N ATOM 1147 CA GLN A 65 -1.338 11.770 4.535 1.00 0.00 C ATOM 1148 C GLN A 65 -0.690 12.663 3.481 1.00 0.00 C ATOM 1149 O GLN A 65 -0.637 13.883 3.633 1.00 0.00 O ATOM 1150 CB GLN A 65 -0.258 11.092 5.379 1.00 0.00 C ATOM 1151 CG GLN A 65 -0.815 10.233 6.503 1.00 0.00 C ATOM 1152 CD GLN A 65 -1.260 11.052 7.698 1.00 0.00 C ATOM 1153 OE1 GLN A 65 -2.424 11.442 7.800 1.00 0.00 O ATOM 1154 NE2 GLN A 65 -0.334 11.318 8.612 1.00 0.00 N ATOM 0 H GLN A 65 -1.979 9.808 4.171 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.957 12.392 5.181 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.361 10.472 4.731 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.392 11.856 5.805 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.660 9.655 6.129 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.055 9.519 6.820 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.619 10.975 8.488 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.575 11.865 9.438 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.199 12.045 2.411 1.00 0.00 N ATOM 1164 CA VAL A 66 0.445 12.783 1.331 1.00 0.00 C ATOM 1165 C VAL A 66 -0.484 13.852 0.766 1.00 0.00 C ATOM 1166 O VAL A 66 -0.041 14.932 0.374 1.00 0.00 O ATOM 1167 CB VAL A 66 0.882 11.844 0.191 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.493 12.639 -0.952 1.00 0.00 C ATOM 1169 CG2 VAL A 66 1.860 10.799 0.708 1.00 0.00 C ATOM 0 H VAL A 66 -0.235 11.036 2.269 1.00 0.00 H new ATOM 0 HA VAL A 66 1.328 13.260 1.757 1.00 0.00 H new ATOM 0 HB VAL A 66 0.001 11.328 -0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.796 11.958 -1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.758 13.345 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.365 13.185 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.159 10.144 -0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.741 11.295 1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.382 10.209 1.490 1.00 0.00 H new ATOM 1179 N LYS A 67 -1.776 13.545 0.727 1.00 0.00 N ATOM 1180 CA LYS A 67 -2.770 14.478 0.211 1.00 0.00 C ATOM 1181 C LYS A 67 -2.731 15.794 0.981 1.00 0.00 C ATOM 1182 O LYS A 67 -2.981 16.861 0.420 1.00 0.00 O ATOM 1183 CB LYS A 67 -4.169 13.865 0.298 1.00 0.00 C ATOM 1184 CG LYS A 67 -5.181 14.526 -0.621 1.00 0.00 C ATOM 1185 CD LYS A 67 -5.797 15.758 0.021 1.00 0.00 C ATOM 1186 CE LYS A 67 -6.192 16.792 -1.022 1.00 0.00 C ATOM 1187 NZ LYS A 67 -7.302 16.309 -1.890 1.00 0.00 N ATOM 0 H LYS A 67 -2.160 12.656 1.047 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.534 14.681 -0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.108 12.804 0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.524 13.935 1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.696 14.806 -1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.967 13.813 -0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.675 15.468 0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.087 16.199 0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.495 17.713 -0.524 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.327 17.034 -1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.542 17.042 -2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.004 15.444 -2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.136 16.103 -1.304 1.00 0.00 H new ATOM 1201 N ASP A 68 -2.415 15.712 2.269 1.00 0.00 N ATOM 1202 CA ASP A 68 -2.341 16.897 3.116 1.00 0.00 C ATOM 1203 C ASP A 68 -1.027 17.641 2.896 1.00 0.00 C ATOM 1204 O ASP A 68 -1.022 18.811 2.513 1.00 0.00 O ATOM 1205 CB ASP A 68 -2.480 16.507 4.588 1.00 0.00 C ATOM 1206 CG ASP A 68 -2.615 17.714 5.496 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -3.569 18.496 5.304 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -1.766 17.876 6.398 1.00 0.00 O ATOM 0 H ASP A 68 -2.206 14.837 2.749 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.163 17.560 2.844 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.352 15.865 4.710 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.610 15.924 4.890 1.00 0.00 H new ATOM 1213 N ILE A 69 0.084 16.954 3.141 1.00 0.00 N ATOM 1214 CA ILE A 69 1.403 17.550 2.969 1.00 0.00 C ATOM 1215 C ILE A 69 1.531 18.218 1.604 1.00 0.00 C ATOM 1216 O ILE A 69 2.174 19.258 1.469 1.00 0.00 O ATOM 1217 CB ILE A 69 2.519 16.500 3.121 1.00 0.00 C ATOM 1218 CG1 ILE A 69 2.699 15.722 1.816 1.00 0.00 C ATOM 1219 CG2 ILE A 69 2.203 15.554 4.270 1.00 0.00 C ATOM 1220 CD1 ILE A 69 3.810 14.697 1.872 1.00 0.00 C ATOM 0 H ILE A 69 0.097 15.985 3.459 1.00 0.00 H new ATOM 0 HA ILE A 69 1.514 18.302 3.750 1.00 0.00 H new ATOM 0 HB ILE A 69 3.453 17.014 3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.764 15.219 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.905 16.425 1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.001 14.818 4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.121 16.122 5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.260 15.044 4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.880 14.184 0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.755 15.196 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.596 13.971 2.657 1.00 0.00 H new ATOM 1232 N MET A 70 0.912 17.613 0.595 1.00 0.00 N ATOM 1233 CA MET A 70 0.955 18.151 -0.760 1.00 0.00 C ATOM 1234 C MET A 70 0.059 19.379 -0.885 1.00 0.00 C ATOM 1235 O MET A 70 -1.009 19.446 -0.276 1.00 0.00 O ATOM 1236 CB MET A 70 0.523 17.085 -1.768 1.00 0.00 C ATOM 1237 CG MET A 70 -0.971 17.082 -2.048 1.00 0.00 C ATOM 1238 SD MET A 70 -1.427 18.190 -3.396 1.00 0.00 S ATOM 1239 CE MET A 70 -1.312 17.081 -4.798 1.00 0.00 C ATOM 0 H MET A 70 0.375 16.751 0.690 1.00 0.00 H new ATOM 0 HA MET A 70 1.981 18.449 -0.975 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.059 17.243 -2.704 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.816 16.104 -1.395 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.289 16.068 -2.293 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.507 17.375 -1.145 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.625 17.497 -5.535 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.943 16.111 -4.465 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.297 16.960 -5.248 1.00 0.00 H new ATOM 1249 N LYS A 71 0.500 20.349 -1.679 1.00 0.00 N ATOM 1250 CA LYS A 71 -0.262 21.575 -1.886 1.00 0.00 C ATOM 1251 C LYS A 71 -0.696 21.707 -3.342 1.00 0.00 C ATOM 1252 O LYS A 71 -0.478 20.803 -4.150 1.00 0.00 O ATOM 1253 CB LYS A 71 0.571 22.792 -1.479 1.00 0.00 C ATOM 1254 CG LYS A 71 0.403 23.185 -0.021 1.00 0.00 C ATOM 1255 CD LYS A 71 -0.743 24.165 0.164 1.00 0.00 C ATOM 1256 CE LYS A 71 -1.281 24.133 1.586 1.00 0.00 C ATOM 1257 NZ LYS A 71 -2.665 24.676 1.668 1.00 0.00 N ATOM 0 H LYS A 71 1.382 20.310 -2.190 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.155 21.528 -1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.623 22.582 -1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.295 23.638 -2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.220 22.293 0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.327 23.632 0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.403 25.173 -0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.544 23.925 -0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.271 23.107 1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.625 24.712 2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.995 24.637 2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.671 25.663 1.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.297 24.108 1.068 1.00 0.00 H new ATOM 1271 N THR A 72 -1.310 22.839 -3.672 1.00 0.00 N ATOM 1272 CA THR A 72 -1.774 23.089 -5.031 1.00 0.00 C ATOM 1273 C THR A 72 -1.167 24.369 -5.592 1.00 0.00 C ATOM 1274 O THR A 72 -1.390 24.718 -6.752 1.00 0.00 O ATOM 1275 CB THR A 72 -3.310 23.193 -5.090 1.00 0.00 C ATOM 1276 OG1 THR A 72 -3.735 23.393 -6.442 1.00 0.00 O ATOM 1277 CG2 THR A 72 -3.808 24.338 -4.221 1.00 0.00 C ATOM 0 H THR A 72 -1.498 23.597 -3.016 1.00 0.00 H new ATOM 0 HA THR A 72 -1.451 22.242 -5.636 1.00 0.00 H new ATOM 0 HB THR A 72 -3.731 22.261 -4.712 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.061 23.917 -6.923 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.895 24.392 -4.278 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.507 24.168 -3.187 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.379 25.276 -4.574 1.00 0.00 H new TER 1285 THR A 72