USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=20 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 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 22:sc= 1.16 USER MOD Single : A 4 GLN : amide:sc= -1.41 K(o=-1.4,f=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -2.83 K(o=-2.8,f=-4!) USER MOD Single : A -1 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 MET CE :methyl 155:sc= -0.473 (180deg=-1.34!) USER MOD Single : A -3 HIS : no HD1:sc=-0.000215 X(o=-0.00021,f=-0.012) USER MOD Single : A -5 SER N :NH3+ -147:sc= 0.014 (180deg=0) USER MOD Single : A -5 SER OG : rot 43:sc= 0.295 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.0946 USER MOD Single : A 21 ASN : amide:sc= -1.78 K(o=-1.8,f=-0.015) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 153:sc= -16.2! (180deg=-19.9!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 30:sc= -0.285 USER MOD Single : A 30 GLN : amide:sc= 0.281 X(o=0.28,f=-0.095) USER MOD Single : A 35 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.37) USER MOD Single : A 36 MET CE :methyl -125:sc= -0.0591 (180deg=-1.42) USER MOD Single : A 37 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.9!) USER MOD Single : A 38 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0595) 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 93:sc= 0.0582 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -1.91 K(o=-1.9,f=-3.9) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.468 K(o=-0.47,f=-1.9) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 67 LYS NZ :NH3+ 160:sc= -0.0531 (180deg=-0.339) USER MOD Single : A 70 MET CE :methyl 167:sc= 0 (180deg=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -5 0.097 -13.896 -19.970 1.00 0.00 N ATOM 2 CA SER A -5 0.118 -13.916 -18.513 1.00 0.00 C ATOM 3 C SER A -5 -1.193 -13.383 -17.943 1.00 0.00 C ATOM 4 O SER A -5 -1.422 -12.174 -17.910 1.00 0.00 O ATOM 5 CB SER A -5 1.291 -13.085 -17.987 1.00 0.00 C ATOM 6 OG SER A -5 1.247 -11.762 -18.494 1.00 0.00 O ATOM 0 H1 SER A -5 0.650 -14.697 -20.336 1.00 0.00 H new ATOM 0 H2 SER A -5 -0.885 -13.972 -20.304 1.00 0.00 H new ATOM 0 H3 SER A -5 0.511 -13.005 -20.311 1.00 0.00 H new ATOM 0 HA SER A -5 0.241 -14.950 -18.190 1.00 0.00 H new ATOM 0 HB2 SER A -5 1.264 -13.061 -16.898 1.00 0.00 H new ATOM 0 HB3 SER A -5 2.231 -13.556 -18.273 1.00 0.00 H new ATOM 0 HG SER A -5 0.326 -11.430 -18.461 1.00 0.00 H new ATOM 12 N ASP A -4 -2.049 -14.294 -17.495 1.00 0.00 N ATOM 13 CA ASP A -4 -3.337 -13.917 -16.925 1.00 0.00 C ATOM 14 C ASP A -4 -3.155 -12.942 -15.766 1.00 0.00 C ATOM 15 O ASP A -4 -3.677 -11.827 -15.792 1.00 0.00 O ATOM 16 CB ASP A -4 -4.091 -15.160 -16.447 1.00 0.00 C ATOM 17 CG ASP A -4 -3.908 -16.341 -17.379 1.00 0.00 C ATOM 18 OD1 ASP A -4 -4.613 -16.400 -18.409 1.00 0.00 O ATOM 19 OD2 ASP A -4 -3.060 -17.208 -17.080 1.00 0.00 O ATOM 0 H ASP A -4 -1.875 -15.299 -17.515 1.00 0.00 H new ATOM 0 HA ASP A -4 -3.920 -13.424 -17.703 1.00 0.00 H new ATOM 0 HB2 ASP A -4 -3.744 -15.431 -15.450 1.00 0.00 H new ATOM 0 HB3 ASP A -4 -5.153 -14.928 -16.363 1.00 0.00 H new ATOM 24 N HIS A -3 -2.411 -13.369 -14.751 1.00 0.00 N ATOM 25 CA HIS A -3 -2.159 -12.533 -13.583 1.00 0.00 C ATOM 26 C HIS A -3 -0.926 -11.659 -13.794 1.00 0.00 C ATOM 27 O HIS A -3 -0.944 -10.463 -13.504 1.00 0.00 O ATOM 28 CB HIS A -3 -1.976 -13.401 -12.338 1.00 0.00 C ATOM 29 CG HIS A -3 -3.243 -14.041 -11.862 1.00 0.00 C ATOM 30 ND1 HIS A -3 -3.353 -15.391 -11.601 1.00 0.00 N ATOM 31 CD2 HIS A -3 -4.459 -13.509 -11.598 1.00 0.00 C ATOM 32 CE1 HIS A -3 -4.582 -15.661 -11.199 1.00 0.00 C ATOM 33 NE2 HIS A -3 -5.273 -14.535 -11.188 1.00 0.00 N ATOM 0 H HIS A -3 -1.972 -14.289 -14.714 1.00 0.00 H new ATOM 0 HA HIS A -3 -3.022 -11.883 -13.440 1.00 0.00 H new ATOM 0 HB2 HIS A -3 -1.244 -14.180 -12.553 1.00 0.00 H new ATOM 0 HB3 HIS A -3 -1.564 -12.789 -11.536 1.00 0.00 H new ATOM 0 HD2 HIS A -3 -4.737 -12.470 -11.692 1.00 0.00 H new ATOM 0 HE1 HIS A -3 -4.958 -16.636 -10.926 1.00 0.00 H new ATOM 0 HE2 HIS A -3 -6.252 -14.443 -10.919 1.00 0.00 H new ATOM 42 N MET A -2 0.142 -12.265 -14.301 1.00 0.00 N ATOM 43 CA MET A -2 1.384 -11.542 -14.552 1.00 0.00 C ATOM 44 C MET A -2 2.044 -11.125 -13.241 1.00 0.00 C ATOM 45 O MET A -2 2.570 -10.018 -13.124 1.00 0.00 O ATOM 46 CB MET A -2 1.115 -10.309 -15.416 1.00 0.00 C ATOM 47 CG MET A -2 2.351 -9.786 -16.129 1.00 0.00 C ATOM 48 SD MET A -2 2.199 -8.051 -16.599 1.00 0.00 S ATOM 49 CE MET A -2 2.009 -7.281 -14.994 1.00 0.00 C ATOM 0 H MET A -2 0.173 -13.255 -14.546 1.00 0.00 H new ATOM 0 HA MET A -2 2.063 -12.208 -15.084 1.00 0.00 H new ATOM 0 HB2 MET A -2 0.354 -10.554 -16.157 1.00 0.00 H new ATOM 0 HB3 MET A -2 0.706 -9.518 -14.788 1.00 0.00 H new ATOM 0 HG2 MET A -2 3.219 -9.908 -15.481 1.00 0.00 H new ATOM 0 HG3 MET A -2 2.532 -10.386 -17.021 1.00 0.00 H new ATOM 0 HE1 MET A -2 2.340 -6.244 -15.046 1.00 0.00 H new ATOM 0 HE2 MET A -2 0.961 -7.312 -14.697 1.00 0.00 H new ATOM 0 HE3 MET A -2 2.610 -7.817 -14.260 1.00 0.00 H new ATOM 59 N THR A -1 2.012 -12.018 -12.257 1.00 0.00 N ATOM 60 CA THR A -1 2.605 -11.741 -10.955 1.00 0.00 C ATOM 61 C THR A -1 3.465 -12.908 -10.483 1.00 0.00 C ATOM 62 O THR A -1 3.185 -14.064 -10.799 1.00 0.00 O ATOM 63 CB THR A -1 1.525 -11.453 -9.895 1.00 0.00 C ATOM 64 OG1 THR A -1 2.137 -10.990 -8.686 1.00 0.00 O ATOM 65 CG2 THR A -1 0.702 -12.699 -9.608 1.00 0.00 C ATOM 0 H THR A -1 1.582 -12.939 -12.337 1.00 0.00 H new ATOM 0 HA THR A -1 3.231 -10.857 -11.075 1.00 0.00 H new ATOM 0 HB THR A -1 0.861 -10.681 -10.285 1.00 0.00 H new ATOM 0 HG1 THR A -1 1.444 -10.807 -8.018 1.00 0.00 H new ATOM 0 HG21 THR A -1 -0.054 -12.471 -8.857 1.00 0.00 H new ATOM 0 HG22 THR A -1 0.214 -13.032 -10.524 1.00 0.00 H new ATOM 0 HG23 THR A -1 1.355 -13.489 -9.237 1.00 0.00 H new ATOM 73 N MET A 1 4.511 -12.598 -9.725 1.00 0.00 N ATOM 74 CA MET A 1 5.411 -13.623 -9.208 1.00 0.00 C ATOM 75 C MET A 1 5.510 -13.543 -7.688 1.00 0.00 C ATOM 76 O MET A 1 5.902 -14.508 -7.031 1.00 0.00 O ATOM 77 CB MET A 1 6.800 -13.474 -9.831 1.00 0.00 C ATOM 78 CG MET A 1 7.569 -12.267 -9.317 1.00 0.00 C ATOM 79 SD MET A 1 9.356 -12.502 -9.386 1.00 0.00 S ATOM 80 CE MET A 1 9.773 -11.511 -10.818 1.00 0.00 C ATOM 0 H MET A 1 4.757 -11.646 -9.455 1.00 0.00 H new ATOM 0 HA MET A 1 5.004 -14.598 -9.476 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.378 -14.376 -9.630 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.698 -13.396 -10.913 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.299 -11.391 -9.906 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.273 -12.063 -8.288 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.848 -11.556 -10.991 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.249 -11.897 -11.692 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.476 -10.477 -10.644 1.00 0.00 H new ATOM 90 N SER A 2 5.154 -12.388 -7.136 1.00 0.00 N ATOM 91 CA SER A 2 5.207 -12.181 -5.694 1.00 0.00 C ATOM 92 C SER A 2 4.586 -10.841 -5.314 1.00 0.00 C ATOM 93 O SER A 2 4.310 -10.004 -6.175 1.00 0.00 O ATOM 94 CB SER A 2 6.654 -12.244 -5.201 1.00 0.00 C ATOM 95 OG SER A 2 7.071 -13.585 -5.014 1.00 0.00 O ATOM 0 H SER A 2 4.826 -11.581 -7.666 1.00 0.00 H new ATOM 0 HA SER A 2 4.633 -12.975 -5.217 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.309 -11.753 -5.921 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.746 -11.697 -4.263 1.00 0.00 H new ATOM 0 HG SER A 2 6.505 -14.181 -5.547 1.00 0.00 H new ATOM 101 N LEU A 3 4.369 -10.642 -4.018 1.00 0.00 N ATOM 102 CA LEU A 3 3.781 -9.403 -3.522 1.00 0.00 C ATOM 103 C LEU A 3 4.852 -8.339 -3.308 1.00 0.00 C ATOM 104 O LEU A 3 4.550 -7.149 -3.227 1.00 0.00 O ATOM 105 CB LEU A 3 3.032 -9.660 -2.213 1.00 0.00 C ATOM 106 CG LEU A 3 2.166 -8.509 -1.698 1.00 0.00 C ATOM 107 CD1 LEU A 3 0.980 -8.279 -2.622 1.00 0.00 C ATOM 108 CD2 LEU A 3 1.693 -8.791 -0.280 1.00 0.00 C ATOM 0 H LEU A 3 4.592 -11.323 -3.292 1.00 0.00 H new ATOM 0 HA LEU A 3 3.078 -9.038 -4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.396 -10.535 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.762 -9.912 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 3 2.771 -7.602 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.375 -7.457 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.340 -8.031 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.374 -9.184 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.078 -7.962 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.105 -9.709 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.556 -8.905 0.376 1.00 0.00 H new ATOM 120 N GLN A 4 6.104 -8.777 -3.220 1.00 0.00 N ATOM 121 CA GLN A 4 7.221 -7.861 -3.017 1.00 0.00 C ATOM 122 C GLN A 4 7.276 -6.816 -4.127 1.00 0.00 C ATOM 123 O GLN A 4 7.432 -5.624 -3.864 1.00 0.00 O ATOM 124 CB GLN A 4 8.539 -8.634 -2.963 1.00 0.00 C ATOM 125 CG GLN A 4 9.594 -7.977 -2.088 1.00 0.00 C ATOM 126 CD GLN A 4 9.509 -8.417 -0.640 1.00 0.00 C ATOM 127 OE1 GLN A 4 10.504 -8.402 0.085 1.00 0.00 O ATOM 128 NE2 GLN A 4 8.316 -8.811 -0.210 1.00 0.00 N ATOM 0 H GLN A 4 6.370 -9.759 -3.286 1.00 0.00 H new ATOM 0 HA GLN A 4 7.070 -7.349 -2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.346 -9.640 -2.591 1.00 0.00 H new ATOM 0 HB3 GLN A 4 8.931 -8.738 -3.975 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.584 -8.215 -2.478 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.482 -6.894 -2.142 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.518 -8.807 -0.845 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.198 -9.117 0.756 1.00 0.00 H new ATOM 137 N MET A 5 7.148 -7.272 -5.369 1.00 0.00 N ATOM 138 CA MET A 5 7.183 -6.376 -6.519 1.00 0.00 C ATOM 139 C MET A 5 6.104 -5.303 -6.405 1.00 0.00 C ATOM 140 O MET A 5 6.158 -4.281 -7.090 1.00 0.00 O ATOM 141 CB MET A 5 6.996 -7.168 -7.815 1.00 0.00 C ATOM 142 CG MET A 5 5.565 -7.626 -8.047 1.00 0.00 C ATOM 143 SD MET A 5 5.248 -8.068 -9.766 1.00 0.00 S ATOM 144 CE MET A 5 4.910 -6.457 -10.473 1.00 0.00 C ATOM 0 H MET A 5 7.019 -8.256 -5.605 1.00 0.00 H new ATOM 0 HA MET A 5 8.157 -5.887 -6.538 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.312 -6.552 -8.657 1.00 0.00 H new ATOM 0 HB3 MET A 5 7.649 -8.040 -7.795 1.00 0.00 H new ATOM 0 HG2 MET A 5 5.355 -8.485 -7.410 1.00 0.00 H new ATOM 0 HG3 MET A 5 4.880 -6.832 -7.748 1.00 0.00 H new ATOM 0 HE1 MET A 5 4.695 -6.564 -11.536 1.00 0.00 H new ATOM 0 HE2 MET A 5 4.050 -6.013 -9.972 1.00 0.00 H new ATOM 0 HE3 MET A 5 5.779 -5.813 -10.342 1.00 0.00 H new ATOM 154 N ILE A 6 5.127 -5.543 -5.538 1.00 0.00 N ATOM 155 CA ILE A 6 4.037 -4.596 -5.335 1.00 0.00 C ATOM 156 C ILE A 6 4.338 -3.652 -4.176 1.00 0.00 C ATOM 157 O ILE A 6 4.460 -2.441 -4.363 1.00 0.00 O ATOM 158 CB ILE A 6 2.706 -5.321 -5.060 1.00 0.00 C ATOM 159 CG1 ILE A 6 2.450 -6.387 -6.127 1.00 0.00 C ATOM 160 CG2 ILE A 6 1.559 -4.322 -5.016 1.00 0.00 C ATOM 161 CD1 ILE A 6 2.307 -5.823 -7.523 1.00 0.00 C ATOM 0 H ILE A 6 5.067 -6.385 -4.965 1.00 0.00 H new ATOM 0 HA ILE A 6 3.944 -4.019 -6.255 1.00 0.00 H new ATOM 0 HB ILE A 6 2.771 -5.814 -4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.270 -7.105 -6.116 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.543 -6.935 -5.871 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.625 -4.849 -4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.739 -3.596 -4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.491 -3.804 -5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.127 -6.636 -8.227 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.468 -5.127 -7.550 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.222 -5.299 -7.799 1.00 0.00 H new ATOM 173 N VAL A 7 4.459 -4.214 -2.978 1.00 0.00 N ATOM 174 CA VAL A 7 4.749 -3.423 -1.788 1.00 0.00 C ATOM 175 C VAL A 7 5.968 -2.533 -2.003 1.00 0.00 C ATOM 176 O VAL A 7 6.050 -1.434 -1.456 1.00 0.00 O ATOM 177 CB VAL A 7 4.993 -4.322 -0.562 1.00 0.00 C ATOM 178 CG1 VAL A 7 3.691 -4.957 -0.097 1.00 0.00 C ATOM 179 CG2 VAL A 7 6.031 -5.388 -0.881 1.00 0.00 C ATOM 0 H VAL A 7 4.361 -5.214 -2.806 1.00 0.00 H new ATOM 0 HA VAL A 7 3.875 -2.798 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 7 5.378 -3.704 0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.884 -5.589 0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.981 -4.175 0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.274 -5.563 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.191 -6.014 -0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.677 -6.005 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.969 -4.910 -1.161 1.00 0.00 H new ATOM 189 N GLU A 8 6.912 -3.017 -2.804 1.00 0.00 N ATOM 190 CA GLU A 8 8.128 -2.264 -3.091 1.00 0.00 C ATOM 191 C GLU A 8 7.805 -0.972 -3.837 1.00 0.00 C ATOM 192 O GLU A 8 8.465 0.048 -3.646 1.00 0.00 O ATOM 193 CB GLU A 8 9.097 -3.114 -3.917 1.00 0.00 C ATOM 194 CG GLU A 8 8.681 -3.273 -5.370 1.00 0.00 C ATOM 195 CD GLU A 8 9.232 -2.174 -6.258 1.00 0.00 C ATOM 196 OE1 GLU A 8 10.151 -1.455 -5.812 1.00 0.00 O ATOM 197 OE2 GLU A 8 8.743 -2.033 -7.398 1.00 0.00 O ATOM 0 H GLU A 8 6.859 -3.925 -3.265 1.00 0.00 H new ATOM 0 HA GLU A 8 8.599 -2.007 -2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.088 -2.661 -3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.180 -4.101 -3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.025 -4.239 -5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.593 -3.276 -5.434 1.00 0.00 H new ATOM 204 N ASN A 9 6.785 -1.026 -4.687 1.00 0.00 N ATOM 205 CA ASN A 9 6.374 0.139 -5.462 1.00 0.00 C ATOM 206 C ASN A 9 6.019 1.305 -4.545 1.00 0.00 C ATOM 207 O ASN A 9 6.232 2.468 -4.890 1.00 0.00 O ATOM 208 CB ASN A 9 5.178 -0.209 -6.350 1.00 0.00 C ATOM 209 CG ASN A 9 5.539 -1.192 -7.448 1.00 0.00 C ATOM 210 OD1 ASN A 9 4.889 -2.224 -7.611 1.00 0.00 O ATOM 211 ND2 ASN A 9 6.582 -0.874 -8.207 1.00 0.00 N ATOM 0 H ASN A 9 6.228 -1.864 -4.857 1.00 0.00 H new ATOM 0 HA ASN A 9 7.211 0.438 -6.093 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.383 -0.631 -5.735 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.784 0.703 -6.798 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.873 -1.496 -8.961 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.092 -0.007 -8.036 1.00 0.00 H new ATOM 218 N VAL A 10 5.475 0.986 -3.375 1.00 0.00 N ATOM 219 CA VAL A 10 5.091 2.006 -2.407 1.00 0.00 C ATOM 220 C VAL A 10 6.279 2.886 -2.035 1.00 0.00 C ATOM 221 O VAL A 10 6.181 4.113 -2.034 1.00 0.00 O ATOM 222 CB VAL A 10 4.513 1.375 -1.126 1.00 0.00 C ATOM 223 CG1 VAL A 10 4.064 2.456 -0.154 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.362 0.441 -1.466 1.00 0.00 C ATOM 0 H VAL A 10 5.290 0.029 -3.075 1.00 0.00 H new ATOM 0 HA VAL A 10 4.323 2.618 -2.880 1.00 0.00 H new ATOM 0 HB VAL A 10 5.296 0.790 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.659 1.991 0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.916 3.081 0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.296 3.071 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.965 0.004 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.575 1.002 -1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.719 -0.353 -2.122 1.00 0.00 H new ATOM 234 N LYS A 11 7.403 2.251 -1.720 1.00 0.00 N ATOM 235 CA LYS A 11 8.613 2.974 -1.347 1.00 0.00 C ATOM 236 C LYS A 11 8.952 4.038 -2.387 1.00 0.00 C ATOM 237 O LYS A 11 9.443 5.116 -2.049 1.00 0.00 O ATOM 238 CB LYS A 11 9.786 2.003 -1.194 1.00 0.00 C ATOM 239 CG LYS A 11 9.533 0.899 -0.181 1.00 0.00 C ATOM 240 CD LYS A 11 9.050 1.460 1.146 1.00 0.00 C ATOM 241 CE LYS A 11 9.377 0.523 2.299 1.00 0.00 C ATOM 242 NZ LYS A 11 9.074 1.141 3.619 1.00 0.00 N ATOM 0 H LYS A 11 7.501 1.236 -1.716 1.00 0.00 H new ATOM 0 HA LYS A 11 8.432 3.468 -0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.003 1.553 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.673 2.562 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.791 0.205 -0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.450 0.330 -0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.513 2.431 1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.973 1.624 1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.806 -0.399 2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.432 0.252 2.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.311 0.471 4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.637 2.008 3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.062 1.377 3.668 1.00 0.00 H new ATOM 256 N LEU A 12 8.688 3.728 -3.651 1.00 0.00 N ATOM 257 CA LEU A 12 8.964 4.658 -4.740 1.00 0.00 C ATOM 258 C LEU A 12 8.022 5.857 -4.686 1.00 0.00 C ATOM 259 O LEU A 12 8.443 6.999 -4.864 1.00 0.00 O ATOM 260 CB LEU A 12 8.829 3.950 -6.089 1.00 0.00 C ATOM 261 CG LEU A 12 9.377 4.703 -7.302 1.00 0.00 C ATOM 262 CD1 LEU A 12 8.375 5.742 -7.782 1.00 0.00 C ATOM 263 CD2 LEU A 12 10.708 5.359 -6.964 1.00 0.00 C ATOM 0 H LEU A 12 8.283 2.840 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 12 9.987 5.018 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.337 2.988 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.773 3.741 -6.263 1.00 0.00 H new ATOM 0 HG LEU A 12 9.541 3.987 -8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.782 6.268 -8.646 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.445 5.248 -8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.179 6.456 -6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.084 5.891 -7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.569 6.063 -6.143 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.426 4.594 -6.668 1.00 0.00 H new ATOM 275 N ALA A 13 6.745 5.587 -4.436 1.00 0.00 N ATOM 276 CA ALA A 13 5.743 6.643 -4.353 1.00 0.00 C ATOM 277 C ALA A 13 6.043 7.595 -3.200 1.00 0.00 C ATOM 278 O ALA A 13 6.054 8.813 -3.375 1.00 0.00 O ATOM 279 CB ALA A 13 4.354 6.042 -4.197 1.00 0.00 C ATOM 0 H ALA A 13 6.380 4.646 -4.287 1.00 0.00 H new ATOM 0 HA ALA A 13 5.777 7.215 -5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.616 6.842 -4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.133 5.409 -5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.316 5.444 -3.286 1.00 0.00 H new ATOM 285 N ARG A 14 6.285 7.031 -2.021 1.00 0.00 N ATOM 286 CA ARG A 14 6.583 7.830 -0.838 1.00 0.00 C ATOM 287 C ARG A 14 7.734 8.795 -1.110 1.00 0.00 C ATOM 288 O ARG A 14 7.708 9.944 -0.672 1.00 0.00 O ATOM 289 CB ARG A 14 6.933 6.922 0.342 1.00 0.00 C ATOM 290 CG ARG A 14 7.315 7.681 1.602 1.00 0.00 C ATOM 291 CD ARG A 14 8.191 6.838 2.516 1.00 0.00 C ATOM 292 NE ARG A 14 8.765 7.626 3.603 1.00 0.00 N ATOM 293 CZ ARG A 14 9.373 7.092 4.657 1.00 0.00 C ATOM 294 NH1 ARG A 14 9.486 5.776 4.764 1.00 0.00 N ATOM 295 NH2 ARG A 14 9.870 7.876 5.605 1.00 0.00 N ATOM 0 H ARG A 14 6.281 6.024 -1.860 1.00 0.00 H new ATOM 0 HA ARG A 14 5.695 8.411 -0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.080 6.279 0.560 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.759 6.271 0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.843 8.595 1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.413 7.980 2.135 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.601 6.022 2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.993 6.386 1.933 1.00 0.00 H new ATOM 0 HE ARG A 14 8.695 8.642 3.550 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.106 5.171 4.036 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.953 5.368 5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.785 8.889 5.525 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.337 7.465 6.414 1.00 0.00 H new ATOM 309 N GLU A 15 8.741 8.318 -1.835 1.00 0.00 N ATOM 310 CA GLU A 15 9.900 9.138 -2.163 1.00 0.00 C ATOM 311 C GLU A 15 9.494 10.341 -3.010 1.00 0.00 C ATOM 312 O GLU A 15 10.055 11.429 -2.872 1.00 0.00 O ATOM 313 CB GLU A 15 10.947 8.307 -2.908 1.00 0.00 C ATOM 314 CG GLU A 15 12.039 9.142 -3.556 1.00 0.00 C ATOM 315 CD GLU A 15 12.921 8.329 -4.484 1.00 0.00 C ATOM 316 OE1 GLU A 15 12.374 7.537 -5.279 1.00 0.00 O ATOM 317 OE2 GLU A 15 14.158 8.485 -4.414 1.00 0.00 O ATOM 0 H GLU A 15 8.777 7.368 -2.206 1.00 0.00 H new ATOM 0 HA GLU A 15 10.331 9.501 -1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.404 7.604 -2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.449 7.716 -3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.583 9.958 -4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.655 9.594 -2.779 1.00 0.00 H new ATOM 324 N TYR A 16 8.516 10.138 -3.885 1.00 0.00 N ATOM 325 CA TYR A 16 8.036 11.204 -4.756 1.00 0.00 C ATOM 326 C TYR A 16 7.322 12.286 -3.951 1.00 0.00 C ATOM 327 O TYR A 16 7.368 13.465 -4.298 1.00 0.00 O ATOM 328 CB TYR A 16 7.092 10.637 -5.818 1.00 0.00 C ATOM 329 CG TYR A 16 7.805 9.914 -6.938 1.00 0.00 C ATOM 330 CD1 TYR A 16 8.867 9.059 -6.674 1.00 0.00 C ATOM 331 CD2 TYR A 16 7.415 10.086 -8.261 1.00 0.00 C ATOM 332 CE1 TYR A 16 9.522 8.397 -7.695 1.00 0.00 C ATOM 333 CE2 TYR A 16 8.063 9.427 -9.288 1.00 0.00 C ATOM 334 CZ TYR A 16 9.116 8.584 -9.000 1.00 0.00 C ATOM 335 OH TYR A 16 9.765 7.925 -10.019 1.00 0.00 O ATOM 0 H TYR A 16 8.040 9.245 -4.010 1.00 0.00 H new ATOM 0 HA TYR A 16 8.899 11.653 -5.248 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.393 9.950 -5.341 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.502 11.451 -6.240 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.186 8.909 -5.653 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.591 10.746 -8.490 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.347 7.737 -7.472 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.747 9.571 -10.311 1.00 0.00 H new ATOM 0 HH TYR A 16 9.356 8.165 -10.877 1.00 0.00 H new ATOM 345 N ALA A 17 6.664 11.874 -2.872 1.00 0.00 N ATOM 346 CA ALA A 17 5.943 12.807 -2.015 1.00 0.00 C ATOM 347 C ALA A 17 6.905 13.740 -1.288 1.00 0.00 C ATOM 348 O ALA A 17 6.636 14.933 -1.141 1.00 0.00 O ATOM 349 CB ALA A 17 5.083 12.048 -1.015 1.00 0.00 C ATOM 0 H ALA A 17 6.616 10.901 -2.571 1.00 0.00 H new ATOM 0 HA ALA A 17 5.295 13.416 -2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.550 12.757 -0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.364 11.428 -1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.718 11.414 -0.396 1.00 0.00 H new ATOM 355 N LEU A 18 8.026 13.190 -0.834 1.00 0.00 N ATOM 356 CA LEU A 18 9.028 13.974 -0.121 1.00 0.00 C ATOM 357 C LEU A 18 9.671 15.005 -1.043 1.00 0.00 C ATOM 358 O LEU A 18 9.702 16.197 -0.733 1.00 0.00 O ATOM 359 CB LEU A 18 10.103 13.054 0.462 1.00 0.00 C ATOM 360 CG LEU A 18 9.599 11.789 1.157 1.00 0.00 C ATOM 361 CD1 LEU A 18 10.728 11.114 1.920 1.00 0.00 C ATOM 362 CD2 LEU A 18 8.443 12.118 2.091 1.00 0.00 C ATOM 0 H LEU A 18 8.264 12.205 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 18 8.529 14.502 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.776 12.759 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.694 13.626 1.177 1.00 0.00 H new ATOM 0 HG LEU A 18 9.239 11.098 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.351 10.215 2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.525 10.843 1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.119 11.799 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.097 11.206 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.777 12.828 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.626 12.556 1.518 1.00 0.00 H new ATOM 374 N LEU A 19 10.180 14.539 -2.179 1.00 0.00 N ATOM 375 CA LEU A 19 10.819 15.422 -3.148 1.00 0.00 C ATOM 376 C LEU A 19 9.914 16.600 -3.493 1.00 0.00 C ATOM 377 O LEU A 19 10.367 17.741 -3.576 1.00 0.00 O ATOM 378 CB LEU A 19 11.171 14.645 -4.419 1.00 0.00 C ATOM 379 CG LEU A 19 12.534 13.953 -4.426 1.00 0.00 C ATOM 380 CD1 LEU A 19 12.826 13.333 -3.069 1.00 0.00 C ATOM 381 CD2 LEU A 19 12.590 12.896 -5.520 1.00 0.00 C ATOM 0 H LEU A 19 10.162 13.556 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 19 11.734 15.811 -2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.402 13.891 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.130 15.332 -5.264 1.00 0.00 H new ATOM 0 HG LEU A 19 13.298 14.702 -4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.800 12.845 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.829 14.112 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.058 12.597 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.567 12.414 -5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.815 12.150 -5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.427 13.367 -6.490 1.00 0.00 H new ATOM 393 N GLY A 20 8.630 16.316 -3.691 1.00 0.00 N ATOM 394 CA GLY A 20 7.681 17.362 -4.022 1.00 0.00 C ATOM 395 C GLY A 20 6.576 16.875 -4.938 1.00 0.00 C ATOM 396 O GLY A 20 5.568 17.555 -5.121 1.00 0.00 O ATOM 0 H GLY A 20 8.231 15.380 -3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.242 17.753 -3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.208 18.188 -4.501 1.00 0.00 H new ATOM 400 N ASN A 21 6.767 15.693 -5.516 1.00 0.00 N ATOM 401 CA ASN A 21 5.779 15.116 -6.420 1.00 0.00 C ATOM 402 C ASN A 21 4.842 14.173 -5.671 1.00 0.00 C ATOM 403 O ASN A 21 5.117 12.980 -5.544 1.00 0.00 O ATOM 404 CB ASN A 21 6.475 14.365 -7.557 1.00 0.00 C ATOM 405 CG ASN A 21 5.659 14.366 -8.835 1.00 0.00 C ATOM 406 OD1 ASN A 21 6.203 14.238 -9.932 1.00 0.00 O ATOM 407 ND2 ASN A 21 4.346 14.512 -8.698 1.00 0.00 N ATOM 0 H ASN A 21 7.597 15.117 -5.374 1.00 0.00 H new ATOM 0 HA ASN A 21 5.188 15.930 -6.840 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.446 14.821 -7.749 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.661 13.336 -7.249 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.745 14.521 -9.522 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.939 14.615 -7.769 1.00 0.00 H new ATOM 414 N TYR A 22 3.735 14.716 -5.179 1.00 0.00 N ATOM 415 CA TYR A 22 2.757 13.924 -4.442 1.00 0.00 C ATOM 416 C TYR A 22 1.757 13.272 -5.391 1.00 0.00 C ATOM 417 O TYR A 22 1.374 12.116 -5.209 1.00 0.00 O ATOM 418 CB TYR A 22 2.020 14.801 -3.428 1.00 0.00 C ATOM 419 CG TYR A 22 2.923 15.761 -2.687 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.294 16.974 -3.253 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.406 15.454 -1.421 1.00 0.00 C ATOM 422 CE1 TYR A 22 4.119 17.854 -2.580 1.00 0.00 C ATOM 423 CE2 TYR A 22 4.230 16.328 -0.740 1.00 0.00 C ATOM 424 CZ TYR A 22 4.584 17.527 -1.323 1.00 0.00 C ATOM 425 OH TYR A 22 5.407 18.399 -0.649 1.00 0.00 O ATOM 0 H TYR A 22 3.492 15.702 -5.277 1.00 0.00 H new ATOM 0 HA TYR A 22 3.291 13.136 -3.910 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.247 15.369 -3.946 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.515 14.160 -2.706 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.931 17.234 -4.236 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.132 14.516 -0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.398 18.793 -3.035 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.595 16.074 0.244 1.00 0.00 H new ATOM 0 HH TYR A 22 5.644 18.018 0.222 1.00 0.00 H new ATOM 435 N ASP A 23 1.338 14.022 -6.404 1.00 0.00 N ATOM 436 CA ASP A 23 0.383 13.518 -7.385 1.00 0.00 C ATOM 437 C ASP A 23 0.833 12.170 -7.938 1.00 0.00 C ATOM 438 O ASP A 23 0.021 11.266 -8.134 1.00 0.00 O ATOM 439 CB ASP A 23 0.214 14.522 -8.526 1.00 0.00 C ATOM 440 CG ASP A 23 -1.070 14.306 -9.302 1.00 0.00 C ATOM 441 OD1 ASP A 23 -2.088 13.942 -8.676 1.00 0.00 O ATOM 442 OD2 ASP A 23 -1.059 14.501 -10.535 1.00 0.00 O ATOM 0 H ASP A 23 1.644 14.981 -6.568 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.577 13.383 -6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.224 15.534 -8.120 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.063 14.442 -9.205 1.00 0.00 H new ATOM 447 N SER A 24 2.132 12.042 -8.189 1.00 0.00 N ATOM 448 CA SER A 24 2.689 10.806 -8.725 1.00 0.00 C ATOM 449 C SER A 24 2.648 9.694 -7.681 1.00 0.00 C ATOM 450 O SER A 24 2.385 8.536 -8.002 1.00 0.00 O ATOM 451 CB SER A 24 4.129 11.030 -9.190 1.00 0.00 C ATOM 452 OG SER A 24 4.164 11.587 -10.493 1.00 0.00 O ATOM 0 H SER A 24 2.818 12.779 -8.030 1.00 0.00 H new ATOM 0 HA SER A 24 2.082 10.503 -9.578 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.640 11.694 -8.493 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.669 10.083 -9.181 1.00 0.00 H new ATOM 0 HG SER A 24 5.095 11.722 -10.766 1.00 0.00 H new ATOM 458 N ALA A 25 2.909 10.056 -6.429 1.00 0.00 N ATOM 459 CA ALA A 25 2.900 9.091 -5.337 1.00 0.00 C ATOM 460 C ALA A 25 1.553 8.382 -5.242 1.00 0.00 C ATOM 461 O ALA A 25 1.492 7.163 -5.085 1.00 0.00 O ATOM 462 CB ALA A 25 3.230 9.780 -4.021 1.00 0.00 C ATOM 0 H ALA A 25 3.129 11.011 -6.146 1.00 0.00 H new ATOM 0 HA ALA A 25 3.663 8.340 -5.542 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.220 9.047 -3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.219 10.234 -4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.488 10.553 -3.819 1.00 0.00 H new ATOM 468 N MET A 26 0.475 9.154 -5.337 1.00 0.00 N ATOM 469 CA MET A 26 -0.871 8.599 -5.263 1.00 0.00 C ATOM 470 C MET A 26 -1.103 7.582 -6.376 1.00 0.00 C ATOM 471 O MET A 26 -1.809 6.592 -6.188 1.00 0.00 O ATOM 472 CB MET A 26 -1.912 9.716 -5.352 1.00 0.00 C ATOM 473 CG MET A 26 -1.764 10.774 -4.270 1.00 0.00 C ATOM 474 SD MET A 26 -1.399 10.066 -2.652 1.00 0.00 S ATOM 475 CE MET A 26 0.389 9.983 -2.714 1.00 0.00 C ATOM 0 H MET A 26 0.508 10.165 -5.465 1.00 0.00 H new ATOM 0 HA MET A 26 -0.975 8.091 -4.304 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.837 10.194 -6.329 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.908 9.279 -5.287 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.967 11.464 -4.548 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.683 11.356 -4.209 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.791 10.037 -1.702 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.694 9.044 -3.176 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.772 10.817 -3.302 1.00 0.00 H new ATOM 485 N VAL A 27 -0.503 7.834 -7.535 1.00 0.00 N ATOM 486 CA VAL A 27 -0.643 6.940 -8.679 1.00 0.00 C ATOM 487 C VAL A 27 -0.132 5.542 -8.349 1.00 0.00 C ATOM 488 O VAL A 27 -0.799 4.545 -8.623 1.00 0.00 O ATOM 489 CB VAL A 27 0.115 7.476 -9.907 1.00 0.00 C ATOM 490 CG1 VAL A 27 -0.015 6.514 -11.077 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.393 8.860 -10.285 1.00 0.00 C ATOM 0 H VAL A 27 0.085 8.650 -7.707 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.706 6.889 -8.913 1.00 0.00 H new ATOM 0 HB VAL A 27 1.171 7.559 -9.652 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.527 6.910 -11.936 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.402 5.546 -10.800 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.067 6.396 -11.336 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.154 9.223 -11.155 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.456 8.806 -10.521 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.242 9.544 -9.450 1.00 0.00 H new ATOM 501 N TYR A 28 1.057 5.477 -7.759 1.00 0.00 N ATOM 502 CA TYR A 28 1.660 4.201 -7.394 1.00 0.00 C ATOM 503 C TYR A 28 0.918 3.564 -6.223 1.00 0.00 C ATOM 504 O TYR A 28 0.627 2.367 -6.235 1.00 0.00 O ATOM 505 CB TYR A 28 3.134 4.394 -7.034 1.00 0.00 C ATOM 506 CG TYR A 28 4.065 4.296 -8.221 1.00 0.00 C ATOM 507 CD1 TYR A 28 3.918 5.137 -9.316 1.00 0.00 C ATOM 508 CD2 TYR A 28 5.093 3.361 -8.246 1.00 0.00 C ATOM 509 CE1 TYR A 28 4.766 5.050 -10.403 1.00 0.00 C ATOM 510 CE2 TYR A 28 5.947 3.268 -9.328 1.00 0.00 C ATOM 511 CZ TYR A 28 5.779 4.114 -10.404 1.00 0.00 C ATOM 512 OH TYR A 28 6.627 4.025 -11.484 1.00 0.00 O ATOM 0 H TYR A 28 1.622 6.293 -7.524 1.00 0.00 H new ATOM 0 HA TYR A 28 1.587 3.534 -8.253 1.00 0.00 H new ATOM 0 HB2 TYR A 28 3.260 5.369 -6.564 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.420 3.645 -6.296 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.127 5.872 -9.318 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.226 2.696 -7.406 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.637 5.711 -11.247 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.742 2.537 -9.331 1.00 0.00 H new ATOM 0 HH TYR A 28 7.285 3.316 -11.326 1.00 0.00 H new ATOM 522 N TYR A 29 0.613 4.372 -5.214 1.00 0.00 N ATOM 523 CA TYR A 29 -0.093 3.888 -4.034 1.00 0.00 C ATOM 524 C TYR A 29 -1.401 3.207 -4.423 1.00 0.00 C ATOM 525 O TYR A 29 -1.644 2.055 -4.063 1.00 0.00 O ATOM 526 CB TYR A 29 -0.374 5.044 -3.072 1.00 0.00 C ATOM 527 CG TYR A 29 0.721 5.262 -2.052 1.00 0.00 C ATOM 528 CD1 TYR A 29 0.941 4.342 -1.033 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.534 6.387 -2.105 1.00 0.00 C ATOM 530 CE1 TYR A 29 1.939 4.538 -0.098 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.535 6.590 -1.176 1.00 0.00 C ATOM 532 CZ TYR A 29 2.734 5.663 -0.174 1.00 0.00 C ATOM 533 OH TYR A 29 3.730 5.862 0.755 1.00 0.00 O ATOM 0 H TYR A 29 0.844 5.365 -5.190 1.00 0.00 H new ATOM 0 HA TYR A 29 0.543 3.156 -3.536 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.511 5.960 -3.647 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.312 4.852 -2.551 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.321 3.460 -0.971 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.380 7.116 -2.887 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.096 3.814 0.688 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.159 7.470 -1.233 1.00 0.00 H new ATOM 0 HH TYR A 29 4.064 4.995 1.067 1.00 0.00 H new ATOM 543 N GLN A 30 -2.239 3.927 -5.161 1.00 0.00 N ATOM 544 CA GLN A 30 -3.523 3.393 -5.600 1.00 0.00 C ATOM 545 C GLN A 30 -3.346 2.037 -6.274 1.00 0.00 C ATOM 546 O GLN A 30 -4.185 1.148 -6.132 1.00 0.00 O ATOM 547 CB GLN A 30 -4.204 4.369 -6.561 1.00 0.00 C ATOM 548 CG GLN A 30 -5.635 3.987 -6.903 1.00 0.00 C ATOM 549 CD GLN A 30 -6.546 3.994 -5.691 1.00 0.00 C ATOM 550 OE1 GLN A 30 -7.100 5.030 -5.322 1.00 0.00 O ATOM 551 NE2 GLN A 30 -6.707 2.834 -5.065 1.00 0.00 N ATOM 0 H GLN A 30 -2.052 4.882 -5.468 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.153 3.262 -4.721 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.199 5.365 -6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.622 4.426 -7.481 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.024 4.680 -7.649 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.644 2.995 -7.354 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.228 2.000 -5.405 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.309 2.777 -4.244 1.00 0.00 H new ATOM 560 N GLY A 31 -2.249 1.885 -7.010 1.00 0.00 N ATOM 561 CA GLY A 31 -1.983 0.634 -7.696 1.00 0.00 C ATOM 562 C GLY A 31 -1.560 -0.469 -6.746 1.00 0.00 C ATOM 563 O GLY A 31 -2.029 -1.602 -6.852 1.00 0.00 O ATOM 0 H GLY A 31 -1.540 2.606 -7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.877 0.322 -8.236 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.201 0.790 -8.439 1.00 0.00 H new ATOM 567 N VAL A 32 -0.670 -0.138 -5.816 1.00 0.00 N ATOM 568 CA VAL A 32 -0.183 -1.110 -4.844 1.00 0.00 C ATOM 569 C VAL A 32 -1.328 -1.677 -4.013 1.00 0.00 C ATOM 570 O VAL A 32 -1.400 -2.884 -3.776 1.00 0.00 O ATOM 571 CB VAL A 32 0.861 -0.485 -3.900 1.00 0.00 C ATOM 572 CG1 VAL A 32 1.329 -1.503 -2.872 1.00 0.00 C ATOM 573 CG2 VAL A 32 2.037 0.063 -4.695 1.00 0.00 C ATOM 0 H VAL A 32 -0.272 0.796 -5.715 1.00 0.00 H new ATOM 0 HA VAL A 32 0.285 -1.916 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 32 0.394 0.344 -3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.066 -1.043 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.478 -1.842 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.779 -2.355 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.765 0.501 -4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.506 -0.746 -5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.684 0.827 -5.387 1.00 0.00 H new ATOM 583 N LEU A 33 -2.224 -0.800 -3.574 1.00 0.00 N ATOM 584 CA LEU A 33 -3.369 -1.213 -2.769 1.00 0.00 C ATOM 585 C LEU A 33 -4.307 -2.106 -3.575 1.00 0.00 C ATOM 586 O LEU A 33 -4.760 -3.143 -3.091 1.00 0.00 O ATOM 587 CB LEU A 33 -4.126 0.013 -2.258 1.00 0.00 C ATOM 588 CG LEU A 33 -3.371 0.907 -1.273 1.00 0.00 C ATOM 589 CD1 LEU A 33 -3.890 2.334 -1.341 1.00 0.00 C ATOM 590 CD2 LEU A 33 -3.491 0.361 0.143 1.00 0.00 C ATOM 0 H LEU A 33 -2.180 0.202 -3.762 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.997 -1.783 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.418 0.618 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.045 -0.326 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.317 0.912 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.341 2.955 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.751 2.724 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.950 2.348 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.948 1.010 0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.542 0.325 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.070 -0.643 0.183 1.00 0.00 H new ATOM 602 N ASP A 34 -4.594 -1.696 -4.805 1.00 0.00 N ATOM 603 CA ASP A 34 -5.476 -2.460 -5.680 1.00 0.00 C ATOM 604 C ASP A 34 -4.888 -3.836 -5.977 1.00 0.00 C ATOM 605 O ASP A 34 -5.557 -4.855 -5.812 1.00 0.00 O ATOM 606 CB ASP A 34 -5.716 -1.701 -6.986 1.00 0.00 C ATOM 607 CG ASP A 34 -6.735 -0.590 -6.831 1.00 0.00 C ATOM 608 OD1 ASP A 34 -6.741 0.067 -5.769 1.00 0.00 O ATOM 609 OD2 ASP A 34 -7.527 -0.376 -7.773 1.00 0.00 O ATOM 0 H ASP A 34 -4.229 -0.838 -5.219 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.428 -2.595 -5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.774 -1.280 -7.336 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.057 -2.399 -7.751 1.00 0.00 H new ATOM 614 N GLN A 35 -3.634 -3.855 -6.417 1.00 0.00 N ATOM 615 CA GLN A 35 -2.957 -5.106 -6.739 1.00 0.00 C ATOM 616 C GLN A 35 -2.791 -5.971 -5.493 1.00 0.00 C ATOM 617 O GLN A 35 -2.961 -7.189 -5.544 1.00 0.00 O ATOM 618 CB GLN A 35 -1.590 -4.825 -7.365 1.00 0.00 C ATOM 619 CG GLN A 35 -1.671 -4.115 -8.707 1.00 0.00 C ATOM 620 CD GLN A 35 -2.745 -4.691 -9.608 1.00 0.00 C ATOM 621 OE1 GLN A 35 -3.890 -4.236 -9.597 1.00 0.00 O ATOM 622 NE2 GLN A 35 -2.382 -5.697 -10.395 1.00 0.00 N ATOM 0 H GLN A 35 -3.067 -3.019 -6.559 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.572 -5.648 -7.457 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.002 -4.218 -6.677 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.057 -5.767 -7.493 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.870 -3.056 -8.542 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.706 -4.184 -9.209 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.423 -6.042 -10.372 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.063 -6.124 -11.023 1.00 0.00 H new ATOM 631 N MET A 36 -2.456 -5.333 -4.376 1.00 0.00 N ATOM 632 CA MET A 36 -2.267 -6.045 -3.118 1.00 0.00 C ATOM 633 C MET A 36 -3.508 -6.857 -2.761 1.00 0.00 C ATOM 634 O MET A 36 -3.417 -8.047 -2.460 1.00 0.00 O ATOM 635 CB MET A 36 -1.949 -5.059 -1.992 1.00 0.00 C ATOM 636 CG MET A 36 -0.462 -4.794 -1.820 1.00 0.00 C ATOM 637 SD MET A 36 -0.110 -3.674 -0.451 1.00 0.00 S ATOM 638 CE MET A 36 0.044 -4.834 0.905 1.00 0.00 C ATOM 0 H MET A 36 -2.310 -4.325 -4.317 1.00 0.00 H new ATOM 0 HA MET A 36 -1.428 -6.730 -3.240 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.457 -4.116 -2.191 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.352 -5.446 -1.056 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.055 -5.739 -1.653 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.063 -4.371 -2.742 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.642 -4.553 1.704 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.199 -5.837 0.555 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.066 -4.819 1.282 1.00 0.00 H new ATOM 648 N ASN A 37 -4.667 -6.207 -2.797 1.00 0.00 N ATOM 649 CA ASN A 37 -5.926 -6.869 -2.477 1.00 0.00 C ATOM 650 C ASN A 37 -6.116 -8.118 -3.332 1.00 0.00 C ATOM 651 O ASN A 37 -6.397 -9.201 -2.817 1.00 0.00 O ATOM 652 CB ASN A 37 -7.099 -5.910 -2.687 1.00 0.00 C ATOM 653 CG ASN A 37 -7.447 -5.138 -1.429 1.00 0.00 C ATOM 654 OD1 ASN A 37 -7.199 -5.600 -0.315 1.00 0.00 O ATOM 655 ND2 ASN A 37 -8.024 -3.954 -1.602 1.00 0.00 N ATOM 0 H ASN A 37 -4.760 -5.222 -3.045 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.894 -7.169 -1.429 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.853 -5.208 -3.484 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.971 -6.474 -3.017 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.280 -3.388 -0.793 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.211 -3.611 -2.544 1.00 0.00 H new ATOM 662 N LYS A 38 -5.960 -7.961 -4.642 1.00 0.00 N ATOM 663 CA LYS A 38 -6.113 -9.075 -5.571 1.00 0.00 C ATOM 664 C LYS A 38 -5.250 -10.259 -5.146 1.00 0.00 C ATOM 665 O LYS A 38 -5.609 -11.414 -5.374 1.00 0.00 O ATOM 666 CB LYS A 38 -5.736 -8.639 -6.988 1.00 0.00 C ATOM 667 CG LYS A 38 -6.524 -7.439 -7.485 1.00 0.00 C ATOM 668 CD LYS A 38 -5.898 -6.838 -8.732 1.00 0.00 C ATOM 669 CE LYS A 38 -6.341 -7.572 -9.988 1.00 0.00 C ATOM 670 NZ LYS A 38 -7.740 -7.231 -10.366 1.00 0.00 N ATOM 0 H LYS A 38 -5.727 -7.072 -5.085 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.158 -9.386 -5.559 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.673 -8.401 -7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.893 -9.474 -7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.549 -7.740 -7.700 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.572 -6.684 -6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.174 -5.786 -8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.812 -6.878 -8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.671 -7.321 -10.810 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.260 -8.647 -9.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.942 -7.599 -11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.398 -7.657 -9.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.859 -6.198 -10.362 1.00 0.00 H new ATOM 684 N TYR A 39 -4.113 -9.964 -4.526 1.00 0.00 N ATOM 685 CA TYR A 39 -3.199 -11.005 -4.070 1.00 0.00 C ATOM 686 C TYR A 39 -3.764 -11.731 -2.853 1.00 0.00 C ATOM 687 O TYR A 39 -3.770 -12.962 -2.797 1.00 0.00 O ATOM 688 CB TYR A 39 -1.835 -10.402 -3.731 1.00 0.00 C ATOM 689 CG TYR A 39 -0.763 -11.437 -3.474 1.00 0.00 C ATOM 690 CD1 TYR A 39 -0.029 -11.980 -4.521 1.00 0.00 C ATOM 691 CD2 TYR A 39 -0.484 -11.872 -2.184 1.00 0.00 C ATOM 692 CE1 TYR A 39 0.951 -12.926 -4.292 1.00 0.00 C ATOM 693 CE2 TYR A 39 0.496 -12.816 -1.945 1.00 0.00 C ATOM 694 CZ TYR A 39 1.210 -13.341 -3.002 1.00 0.00 C ATOM 695 OH TYR A 39 2.186 -14.283 -2.768 1.00 0.00 O ATOM 0 H TYR A 39 -3.802 -9.013 -4.328 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.079 -11.727 -4.877 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.518 -9.758 -4.551 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.936 -9.769 -2.850 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.228 -11.657 -5.532 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.043 -11.465 -1.354 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.511 -13.338 -5.118 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.702 -13.141 -0.936 1.00 0.00 H new ATOM 0 HH TYR A 39 2.243 -14.463 -1.806 1.00 0.00 H new ATOM 705 N LEU A 40 -4.238 -10.961 -1.881 1.00 0.00 N ATOM 706 CA LEU A 40 -4.807 -11.529 -0.663 1.00 0.00 C ATOM 707 C LEU A 40 -6.088 -12.299 -0.968 1.00 0.00 C ATOM 708 O LEU A 40 -6.386 -13.307 -0.328 1.00 0.00 O ATOM 709 CB LEU A 40 -5.093 -10.423 0.354 1.00 0.00 C ATOM 710 CG LEU A 40 -4.185 -9.195 0.283 1.00 0.00 C ATOM 711 CD1 LEU A 40 -4.399 -8.302 1.496 1.00 0.00 C ATOM 712 CD2 LEU A 40 -2.726 -9.616 0.180 1.00 0.00 C ATOM 0 H LEU A 40 -4.240 -9.941 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.080 -12.223 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.124 -10.095 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.017 -10.849 1.355 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.443 -8.627 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.744 -7.433 1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.438 -7.972 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.169 -8.860 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.094 -8.729 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.455 -10.206 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.583 -10.214 -0.720 1.00 0.00 H new ATOM 724 N TYR A 41 -6.841 -11.818 -1.951 1.00 0.00 N ATOM 725 CA TYR A 41 -8.091 -12.460 -2.341 1.00 0.00 C ATOM 726 C TYR A 41 -7.823 -13.731 -3.141 1.00 0.00 C ATOM 727 O TYR A 41 -8.704 -14.576 -3.299 1.00 0.00 O ATOM 728 CB TYR A 41 -8.948 -11.498 -3.164 1.00 0.00 C ATOM 729 CG TYR A 41 -10.435 -11.710 -2.989 1.00 0.00 C ATOM 730 CD1 TYR A 41 -11.074 -12.802 -3.564 1.00 0.00 C ATOM 731 CD2 TYR A 41 -11.201 -10.819 -2.247 1.00 0.00 C ATOM 732 CE1 TYR A 41 -12.432 -12.999 -3.407 1.00 0.00 C ATOM 733 CE2 TYR A 41 -12.559 -11.009 -2.083 1.00 0.00 C ATOM 734 CZ TYR A 41 -13.170 -12.100 -2.666 1.00 0.00 C ATOM 735 OH TYR A 41 -14.523 -12.294 -2.506 1.00 0.00 O ATOM 0 H TYR A 41 -6.608 -10.986 -2.492 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.630 -12.730 -1.433 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.700 -10.474 -2.884 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.695 -11.611 -4.218 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.499 -13.509 -4.144 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.726 -9.963 -1.791 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.913 -13.852 -3.862 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.139 -10.308 -1.502 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.894 -11.572 -1.957 1.00 0.00 H new ATOM 745 N SER A 42 -6.599 -13.860 -3.644 1.00 0.00 N ATOM 746 CA SER A 42 -6.214 -15.026 -4.430 1.00 0.00 C ATOM 747 C SER A 42 -5.635 -16.117 -3.536 1.00 0.00 C ATOM 748 O SER A 42 -5.890 -17.304 -3.740 1.00 0.00 O ATOM 749 CB SER A 42 -5.193 -14.631 -5.499 1.00 0.00 C ATOM 750 OG SER A 42 -5.837 -14.213 -6.690 1.00 0.00 O ATOM 0 H SER A 42 -5.857 -13.171 -3.521 1.00 0.00 H new ATOM 0 HA SER A 42 -7.107 -15.417 -4.917 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.560 -13.827 -5.123 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.540 -15.477 -5.713 1.00 0.00 H new ATOM 0 HG SER A 42 -5.957 -13.240 -6.673 1.00 0.00 H new ATOM 756 N VAL A 43 -4.852 -15.707 -2.542 1.00 0.00 N ATOM 757 CA VAL A 43 -4.237 -16.648 -1.615 1.00 0.00 C ATOM 758 C VAL A 43 -5.269 -17.224 -0.651 1.00 0.00 C ATOM 759 O VAL A 43 -6.016 -16.485 -0.010 1.00 0.00 O ATOM 760 CB VAL A 43 -3.109 -15.982 -0.804 1.00 0.00 C ATOM 761 CG1 VAL A 43 -3.651 -14.810 0.000 1.00 0.00 C ATOM 762 CG2 VAL A 43 -2.436 -16.998 0.106 1.00 0.00 C ATOM 0 H VAL A 43 -4.629 -14.729 -2.359 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.815 -17.454 -2.216 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.361 -15.600 -1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.840 -14.352 0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.083 -14.073 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.419 -15.165 0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.642 -16.510 0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.171 -17.412 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.012 -17.801 -0.496 1.00 0.00 H new ATOM 772 N LYS A 44 -5.303 -18.549 -0.553 1.00 0.00 N ATOM 773 CA LYS A 44 -6.242 -19.226 0.334 1.00 0.00 C ATOM 774 C LYS A 44 -5.796 -19.111 1.788 1.00 0.00 C ATOM 775 O LYS A 44 -6.611 -18.875 2.680 1.00 0.00 O ATOM 776 CB LYS A 44 -6.371 -20.700 -0.056 1.00 0.00 C ATOM 777 CG LYS A 44 -6.864 -20.913 -1.477 1.00 0.00 C ATOM 778 CD LYS A 44 -8.374 -20.773 -1.570 1.00 0.00 C ATOM 779 CE LYS A 44 -8.835 -20.660 -3.015 1.00 0.00 C ATOM 780 NZ LYS A 44 -8.744 -19.262 -3.519 1.00 0.00 N ATOM 0 H LYS A 44 -4.691 -19.175 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.214 -18.743 0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.401 -21.184 0.059 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.056 -21.191 0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.389 -20.190 -2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.568 -21.904 -1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.850 -21.634 -1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.694 -19.891 -1.015 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.227 -21.312 -3.642 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.864 -21.009 -3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.067 -19.227 -4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.344 -18.643 -2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.757 -18.937 -3.466 1.00 0.00 H new ATOM 794 N ASP A 45 -4.499 -19.278 2.019 1.00 0.00 N ATOM 795 CA ASP A 45 -3.944 -19.190 3.365 1.00 0.00 C ATOM 796 C ASP A 45 -4.462 -17.950 4.086 1.00 0.00 C ATOM 797 O ASP A 45 -3.867 -16.875 4.002 1.00 0.00 O ATOM 798 CB ASP A 45 -2.416 -19.162 3.309 1.00 0.00 C ATOM 799 CG ASP A 45 -1.854 -20.176 2.332 1.00 0.00 C ATOM 800 OD1 ASP A 45 -1.918 -21.387 2.632 1.00 0.00 O ATOM 801 OD2 ASP A 45 -1.349 -19.759 1.269 1.00 0.00 O ATOM 0 H ASP A 45 -3.812 -19.475 1.292 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.263 -20.071 3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.084 -18.164 3.023 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.015 -19.359 4.303 1.00 0.00 H new ATOM 806 N THR A 46 -5.575 -18.105 4.796 1.00 0.00 N ATOM 807 CA THR A 46 -6.175 -16.998 5.530 1.00 0.00 C ATOM 808 C THR A 46 -5.130 -16.257 6.357 1.00 0.00 C ATOM 809 O THR A 46 -5.223 -15.044 6.550 1.00 0.00 O ATOM 810 CB THR A 46 -7.300 -17.486 6.462 1.00 0.00 C ATOM 811 OG1 THR A 46 -7.664 -16.446 7.376 1.00 0.00 O ATOM 812 CG2 THR A 46 -6.863 -18.720 7.238 1.00 0.00 C ATOM 0 H THR A 46 -6.080 -18.988 4.878 1.00 0.00 H new ATOM 0 HA THR A 46 -6.597 -16.319 4.789 1.00 0.00 H new ATOM 0 HB THR A 46 -8.162 -17.748 5.849 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.381 -16.763 7.964 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.674 -19.046 7.889 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.614 -19.519 6.540 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.988 -18.479 7.841 1.00 0.00 H new ATOM 820 N HIS A 47 -4.136 -16.993 6.843 1.00 0.00 N ATOM 821 CA HIS A 47 -3.072 -16.404 7.649 1.00 0.00 C ATOM 822 C HIS A 47 -2.179 -15.506 6.798 1.00 0.00 C ATOM 823 O HIS A 47 -1.697 -14.473 7.263 1.00 0.00 O ATOM 824 CB HIS A 47 -2.234 -17.502 8.305 1.00 0.00 C ATOM 825 CG HIS A 47 -3.033 -18.435 9.161 1.00 0.00 C ATOM 826 ND1 HIS A 47 -2.853 -19.802 9.156 1.00 0.00 N ATOM 827 CD2 HIS A 47 -4.020 -18.191 10.054 1.00 0.00 C ATOM 828 CE1 HIS A 47 -3.695 -20.359 10.007 1.00 0.00 C ATOM 829 NE2 HIS A 47 -4.415 -19.402 10.566 1.00 0.00 N ATOM 0 H HIS A 47 -4.045 -17.998 6.693 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.533 -15.795 8.427 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -1.731 -18.077 7.528 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.457 -17.040 8.913 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.422 -17.223 10.315 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.781 -21.416 10.211 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.145 -19.541 11.264 1.00 0.00 H new ATOM 838 N LEU A 48 -1.964 -15.907 5.550 1.00 0.00 N ATOM 839 CA LEU A 48 -1.128 -15.138 4.633 1.00 0.00 C ATOM 840 C LEU A 48 -1.839 -13.865 4.186 1.00 0.00 C ATOM 841 O LEU A 48 -1.241 -12.790 4.145 1.00 0.00 O ATOM 842 CB LEU A 48 -0.761 -15.986 3.414 1.00 0.00 C ATOM 843 CG LEU A 48 0.387 -15.460 2.552 1.00 0.00 C ATOM 844 CD1 LEU A 48 1.097 -16.608 1.850 1.00 0.00 C ATOM 845 CD2 LEU A 48 -0.127 -14.448 1.538 1.00 0.00 C ATOM 0 H LEU A 48 -2.356 -16.759 5.150 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.216 -14.857 5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.502 -16.987 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.646 -16.084 2.785 1.00 0.00 H new ATOM 0 HG LEU A 48 1.104 -14.960 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.911 -16.214 1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.500 -17.296 2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.390 -17.137 1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.704 -14.084 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.865 -14.923 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.588 -13.611 2.061 1.00 0.00 H new ATOM 857 N ARG A 49 -3.119 -13.994 3.852 1.00 0.00 N ATOM 858 CA ARG A 49 -3.912 -12.854 3.409 1.00 0.00 C ATOM 859 C ARG A 49 -4.230 -11.926 4.578 1.00 0.00 C ATOM 860 O ARG A 49 -4.031 -10.715 4.492 1.00 0.00 O ATOM 861 CB ARG A 49 -5.209 -13.331 2.755 1.00 0.00 C ATOM 862 CG ARG A 49 -5.726 -14.646 3.315 1.00 0.00 C ATOM 863 CD ARG A 49 -7.208 -14.831 3.026 1.00 0.00 C ATOM 864 NE ARG A 49 -8.046 -14.256 4.075 1.00 0.00 N ATOM 865 CZ ARG A 49 -9.358 -14.448 4.154 1.00 0.00 C ATOM 866 NH1 ARG A 49 -9.978 -15.195 3.252 1.00 0.00 N ATOM 867 NH2 ARG A 49 -10.052 -13.891 5.139 1.00 0.00 N ATOM 0 H ARG A 49 -3.629 -14.877 3.880 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.327 -12.299 2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.974 -12.565 2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.046 -13.441 1.683 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.164 -15.473 2.882 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.558 -14.675 4.392 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.452 -14.365 2.071 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.428 -15.894 2.928 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.600 -13.676 4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.448 -15.625 2.494 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.986 -15.340 3.316 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.578 -13.316 5.835 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.059 -14.038 5.200 1.00 0.00 H new ATOM 881 N GLN A 50 -4.727 -12.504 5.667 1.00 0.00 N ATOM 882 CA GLN A 50 -5.074 -11.728 6.852 1.00 0.00 C ATOM 883 C GLN A 50 -3.880 -10.913 7.338 1.00 0.00 C ATOM 884 O GLN A 50 -4.028 -9.768 7.766 1.00 0.00 O ATOM 885 CB GLN A 50 -5.564 -12.653 7.967 1.00 0.00 C ATOM 886 CG GLN A 50 -4.465 -13.508 8.576 1.00 0.00 C ATOM 887 CD GLN A 50 -3.784 -12.834 9.751 1.00 0.00 C ATOM 888 OE1 GLN A 50 -2.560 -12.706 9.784 1.00 0.00 O ATOM 889 NE2 GLN A 50 -4.576 -12.398 10.724 1.00 0.00 N ATOM 0 H GLN A 50 -4.898 -13.506 5.753 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.875 -11.039 6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.021 -12.051 8.752 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.342 -13.305 7.571 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.888 -14.458 8.902 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.722 -13.736 7.812 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.586 -12.525 10.655 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.175 -11.936 11.540 1.00 0.00 H new ATOM 898 N LYS A 51 -2.695 -11.512 7.271 1.00 0.00 N ATOM 899 CA LYS A 51 -1.474 -10.843 7.704 1.00 0.00 C ATOM 900 C LYS A 51 -1.225 -9.581 6.884 1.00 0.00 C ATOM 901 O LYS A 51 -0.982 -8.508 7.438 1.00 0.00 O ATOM 902 CB LYS A 51 -0.278 -11.789 7.579 1.00 0.00 C ATOM 903 CG LYS A 51 0.986 -11.262 8.235 1.00 0.00 C ATOM 904 CD LYS A 51 0.983 -11.515 9.734 1.00 0.00 C ATOM 905 CE LYS A 51 1.499 -12.907 10.065 1.00 0.00 C ATOM 906 NZ LYS A 51 2.979 -12.927 10.221 1.00 0.00 N ATOM 0 H LYS A 51 -2.555 -12.460 6.921 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.597 -10.558 8.749 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.536 -12.749 8.026 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.080 -11.973 6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.857 -11.740 7.786 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.077 -10.192 8.046 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.602 -10.768 10.231 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.029 -11.399 10.122 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.032 -13.258 10.985 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.208 -13.600 9.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.291 -13.893 10.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.426 -12.616 9.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.256 -12.286 10.991 1.00 0.00 H new ATOM 920 N TRP A 52 -1.290 -9.716 5.565 1.00 0.00 N ATOM 921 CA TRP A 52 -1.073 -8.585 4.669 1.00 0.00 C ATOM 922 C TRP A 52 -2.208 -7.574 4.784 1.00 0.00 C ATOM 923 O TRP A 52 -1.993 -6.369 4.659 1.00 0.00 O ATOM 924 CB TRP A 52 -0.948 -9.069 3.224 1.00 0.00 C ATOM 925 CG TRP A 52 0.329 -9.804 2.951 1.00 0.00 C ATOM 926 CD1 TRP A 52 0.458 -11.055 2.420 1.00 0.00 C ATOM 927 CD2 TRP A 52 1.658 -9.332 3.198 1.00 0.00 C ATOM 928 NE1 TRP A 52 1.787 -11.390 2.322 1.00 0.00 N ATOM 929 CE2 TRP A 52 2.544 -10.349 2.792 1.00 0.00 C ATOM 930 CE3 TRP A 52 2.187 -8.148 3.721 1.00 0.00 C ATOM 931 CZ2 TRP A 52 3.926 -10.217 2.895 1.00 0.00 C ATOM 932 CZ3 TRP A 52 3.559 -8.019 3.822 1.00 0.00 C ATOM 933 CH2 TRP A 52 4.416 -9.048 3.410 1.00 0.00 C ATOM 0 H TRP A 52 -1.491 -10.597 5.091 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.144 -8.095 4.961 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.790 -9.721 2.993 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.015 -8.212 2.554 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.364 -11.688 2.121 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.151 -12.271 1.958 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.535 -7.349 4.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.588 -11.010 2.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.978 -7.109 4.226 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.484 -8.916 3.501 1.00 0.00 H new ATOM 944 N GLN A 53 -3.417 -8.073 5.023 1.00 0.00 N ATOM 945 CA GLN A 53 -4.586 -7.212 5.154 1.00 0.00 C ATOM 946 C GLN A 53 -4.367 -6.156 6.233 1.00 0.00 C ATOM 947 O GLN A 53 -4.909 -5.054 6.154 1.00 0.00 O ATOM 948 CB GLN A 53 -5.826 -8.045 5.484 1.00 0.00 C ATOM 949 CG GLN A 53 -7.119 -7.246 5.467 1.00 0.00 C ATOM 950 CD GLN A 53 -8.349 -8.128 5.395 1.00 0.00 C ATOM 951 OE1 GLN A 53 -8.672 -8.678 4.342 1.00 0.00 O ATOM 952 NE2 GLN A 53 -9.044 -8.267 6.518 1.00 0.00 N ATOM 0 H GLN A 53 -3.612 -9.068 5.130 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.740 -6.705 4.201 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.905 -8.863 4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.700 -8.495 6.469 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.172 -6.628 6.363 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.112 -6.569 4.613 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.740 -7.793 7.368 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.882 -8.848 6.530 1.00 0.00 H new ATOM 961 N GLN A 54 -3.569 -6.502 7.238 1.00 0.00 N ATOM 962 CA GLN A 54 -3.279 -5.583 8.333 1.00 0.00 C ATOM 963 C GLN A 54 -2.403 -4.429 7.858 1.00 0.00 C ATOM 964 O GLN A 54 -2.587 -3.284 8.273 1.00 0.00 O ATOM 965 CB GLN A 54 -2.589 -6.324 9.479 1.00 0.00 C ATOM 966 CG GLN A 54 -2.217 -5.426 10.648 1.00 0.00 C ATOM 967 CD GLN A 54 -3.410 -4.681 11.214 1.00 0.00 C ATOM 968 OE1 GLN A 54 -4.557 -5.079 11.012 1.00 0.00 O ATOM 969 NE2 GLN A 54 -3.144 -3.594 11.929 1.00 0.00 N ATOM 0 H GLN A 54 -3.112 -7.411 7.317 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.224 -5.174 8.691 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.246 -7.117 9.836 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.687 -6.804 9.099 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.763 -6.029 11.435 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.465 -4.707 10.324 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.177 -3.301 12.071 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.906 -3.052 12.336 1.00 0.00 H new ATOM 978 N VAL A 55 -1.449 -4.737 6.985 1.00 0.00 N ATOM 979 CA VAL A 55 -0.545 -3.725 6.452 1.00 0.00 C ATOM 980 C VAL A 55 -1.253 -2.834 5.437 1.00 0.00 C ATOM 981 O VAL A 55 -1.016 -1.627 5.384 1.00 0.00 O ATOM 982 CB VAL A 55 0.686 -4.367 5.785 1.00 0.00 C ATOM 983 CG1 VAL A 55 1.667 -3.297 5.331 1.00 0.00 C ATOM 984 CG2 VAL A 55 1.356 -5.347 6.736 1.00 0.00 C ATOM 0 H VAL A 55 -1.282 -5.679 6.632 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.217 -3.119 7.296 1.00 0.00 H new ATOM 0 HB VAL A 55 0.354 -4.918 4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.530 -3.770 4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.180 -2.638 4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.995 -2.715 6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.224 -5.791 6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.675 -4.821 7.636 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.650 -6.132 7.006 1.00 0.00 H new ATOM 994 N TRP A 56 -2.122 -3.437 4.635 1.00 0.00 N ATOM 995 CA TRP A 56 -2.866 -2.698 3.621 1.00 0.00 C ATOM 996 C TRP A 56 -3.600 -1.514 4.240 1.00 0.00 C ATOM 997 O TRP A 56 -3.802 -0.489 3.589 1.00 0.00 O ATOM 998 CB TRP A 56 -3.861 -3.620 2.916 1.00 0.00 C ATOM 999 CG TRP A 56 -4.572 -2.964 1.771 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -4.218 -3.009 0.453 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -5.756 -2.162 1.844 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -5.111 -2.284 -0.299 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -6.064 -1.755 0.531 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -6.586 -1.750 2.889 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -7.167 -0.956 0.240 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -7.680 -0.957 2.598 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -7.963 -0.567 1.283 1.00 0.00 C ATOM 0 H TRP A 56 -2.329 -4.435 4.667 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.154 -2.317 2.889 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.333 -4.500 2.550 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -4.598 -3.969 3.640 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.362 -3.537 0.059 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.071 -2.160 -1.311 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.377 -2.046 3.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.386 -0.654 -0.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -8.328 -0.632 3.399 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.826 0.053 1.088 1.00 0.00 H new ATOM 1018 N GLN A 57 -3.998 -1.663 5.499 1.00 0.00 N ATOM 1019 CA GLN A 57 -4.711 -0.604 6.204 1.00 0.00 C ATOM 1020 C GLN A 57 -3.848 0.648 6.324 1.00 0.00 C ATOM 1021 O GLN A 57 -4.276 1.744 5.962 1.00 0.00 O ATOM 1022 CB GLN A 57 -5.132 -1.083 7.595 1.00 0.00 C ATOM 1023 CG GLN A 57 -6.478 -1.789 7.614 1.00 0.00 C ATOM 1024 CD GLN A 57 -6.928 -2.148 9.017 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -6.210 -1.918 9.990 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -8.124 -2.714 9.127 1.00 0.00 N ATOM 0 H GLN A 57 -3.839 -2.506 6.052 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.602 -0.354 5.628 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.371 -1.760 7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.171 -0.227 8.269 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.227 -1.148 7.149 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.417 -2.696 7.013 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.685 -2.886 8.293 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.481 -2.977 10.046 1.00 0.00 H new ATOM 1035 N GLU A 58 -2.632 0.476 6.833 1.00 0.00 N ATOM 1036 CA GLU A 58 -1.711 1.593 7.001 1.00 0.00 C ATOM 1037 C GLU A 58 -1.252 2.129 5.647 1.00 0.00 C ATOM 1038 O GLU A 58 -1.124 3.338 5.458 1.00 0.00 O ATOM 1039 CB GLU A 58 -0.498 1.163 7.829 1.00 0.00 C ATOM 1040 CG GLU A 58 0.640 0.600 6.994 1.00 0.00 C ATOM 1041 CD GLU A 58 1.894 0.350 7.809 1.00 0.00 C ATOM 1042 OE1 GLU A 58 1.769 -0.103 8.966 1.00 0.00 O ATOM 1043 OE2 GLU A 58 3.000 0.607 7.289 1.00 0.00 O ATOM 0 H GLU A 58 -2.263 -0.425 7.136 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.238 2.389 7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.133 2.020 8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.811 0.412 8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.319 -0.334 6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.869 1.293 6.185 1.00 0.00 H new ATOM 1050 N ILE A 59 -1.007 1.219 4.710 1.00 0.00 N ATOM 1051 CA ILE A 59 -0.564 1.599 3.375 1.00 0.00 C ATOM 1052 C ILE A 59 -1.523 2.601 2.741 1.00 0.00 C ATOM 1053 O ILE A 59 -1.104 3.512 2.029 1.00 0.00 O ATOM 1054 CB ILE A 59 -0.439 0.372 2.453 1.00 0.00 C ATOM 1055 CG1 ILE A 59 0.784 -0.463 2.841 1.00 0.00 C ATOM 1056 CG2 ILE A 59 -0.349 0.809 0.998 1.00 0.00 C ATOM 1057 CD1 ILE A 59 0.799 -1.839 2.214 1.00 0.00 C ATOM 0 H ILE A 59 -1.108 0.214 4.851 1.00 0.00 H new ATOM 0 HA ILE A 59 0.417 2.060 3.488 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.329 -0.245 2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.687 0.072 2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.814 -0.566 3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.261 -0.070 0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.247 1.365 0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.526 1.445 0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.693 -2.374 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.086 -2.392 2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.801 -1.744 1.128 1.00 0.00 H new ATOM 1069 N ASN A 60 -2.814 2.426 3.008 1.00 0.00 N ATOM 1070 CA ASN A 60 -3.833 3.316 2.465 1.00 0.00 C ATOM 1071 C ASN A 60 -3.809 4.667 3.173 1.00 0.00 C ATOM 1072 O ASN A 60 -4.143 5.695 2.584 1.00 0.00 O ATOM 1073 CB ASN A 60 -5.219 2.681 2.601 1.00 0.00 C ATOM 1074 CG ASN A 60 -6.333 3.708 2.544 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -6.674 4.211 1.473 1.00 0.00 O ATOM 1076 ND2 ASN A 60 -6.907 4.024 3.699 1.00 0.00 N ATOM 0 H ASN A 60 -3.178 1.677 3.596 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.615 3.475 1.409 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.361 1.951 1.805 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.276 2.139 3.545 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.663 4.709 3.722 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.592 3.582 4.563 1.00 0.00 H new ATOM 1083 N VAL A 61 -3.410 4.658 4.441 1.00 0.00 N ATOM 1084 CA VAL A 61 -3.340 5.882 5.230 1.00 0.00 C ATOM 1085 C VAL A 61 -2.211 6.784 4.744 1.00 0.00 C ATOM 1086 O VAL A 61 -2.407 7.981 4.536 1.00 0.00 O ATOM 1087 CB VAL A 61 -3.131 5.576 6.724 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -2.976 6.864 7.517 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -4.285 4.744 7.264 1.00 0.00 C ATOM 0 H VAL A 61 -3.130 3.816 4.944 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.293 6.396 5.103 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.213 4.998 6.833 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.829 6.627 8.571 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.114 7.418 7.146 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.874 7.472 7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.121 4.537 8.321 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.218 5.294 7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.344 3.804 6.715 1.00 0.00 H new ATOM 1099 N GLU A 62 -1.029 6.201 4.567 1.00 0.00 N ATOM 1100 CA GLU A 62 0.131 6.954 4.106 1.00 0.00 C ATOM 1101 C GLU A 62 -0.200 7.746 2.845 1.00 0.00 C ATOM 1102 O GLU A 62 0.024 8.955 2.781 1.00 0.00 O ATOM 1103 CB GLU A 62 1.304 6.010 3.835 1.00 0.00 C ATOM 1104 CG GLU A 62 1.194 4.679 4.560 1.00 0.00 C ATOM 1105 CD GLU A 62 0.865 4.841 6.031 1.00 0.00 C ATOM 1106 OE1 GLU A 62 0.636 5.990 6.465 1.00 0.00 O ATOM 1107 OE2 GLU A 62 0.835 3.819 6.749 1.00 0.00 O ATOM 0 H GLU A 62 -0.850 5.211 4.736 1.00 0.00 H new ATOM 0 HA GLU A 62 0.412 7.656 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.371 5.826 2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.231 6.501 4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.423 4.073 4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.134 4.136 4.459 1.00 0.00 H new ATOM 1114 N ALA A 63 -0.733 7.056 1.842 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.096 7.694 0.583 1.00 0.00 C ATOM 1116 C ALA A 63 -2.209 8.717 0.787 1.00 0.00 C ATOM 1117 O ALA A 63 -2.282 9.720 0.077 1.00 0.00 O ATOM 1118 CB ALA A 63 -1.519 6.647 -0.437 1.00 0.00 C ATOM 0 H ALA A 63 -0.923 6.054 1.877 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.219 8.220 0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.787 7.138 -1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.694 5.957 -0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.379 6.095 -0.057 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.075 8.456 1.760 1.00 0.00 N ATOM 1125 CA LYS A 64 -4.185 9.353 2.059 1.00 0.00 C ATOM 1126 C LYS A 64 -3.676 10.691 2.587 1.00 0.00 C ATOM 1127 O LYS A 64 -4.109 11.751 2.136 1.00 0.00 O ATOM 1128 CB LYS A 64 -5.125 8.712 3.083 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.569 9.163 2.949 1.00 0.00 C ATOM 1130 CD LYS A 64 -7.187 8.675 1.650 1.00 0.00 C ATOM 1131 CE LYS A 64 -8.704 8.615 1.743 1.00 0.00 C ATOM 1132 NZ LYS A 64 -9.345 8.667 0.399 1.00 0.00 N ATOM 0 H LYS A 64 -3.029 7.629 2.356 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.734 9.532 1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.080 7.628 2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.771 8.948 4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.148 8.787 3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.617 10.251 2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.897 9.339 0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.797 7.686 1.409 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.001 7.698 2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.064 9.446 2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.379 8.624 0.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.083 9.554 -0.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.022 7.860 -0.171 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.755 10.632 3.544 1.00 0.00 N ATOM 1147 CA GLN A 65 -2.188 11.840 4.132 1.00 0.00 C ATOM 1148 C GLN A 65 -1.472 12.675 3.075 1.00 0.00 C ATOM 1149 O GLN A 65 -1.518 13.905 3.107 1.00 0.00 O ATOM 1150 CB GLN A 65 -1.216 11.477 5.256 1.00 0.00 C ATOM 1151 CG GLN A 65 -1.867 10.721 6.403 1.00 0.00 C ATOM 1152 CD GLN A 65 -2.437 11.645 7.462 1.00 0.00 C ATOM 1153 OE1 GLN A 65 -3.365 12.410 7.200 1.00 0.00 O ATOM 1154 NE2 GLN A 65 -1.882 11.578 8.666 1.00 0.00 N ATOM 0 H GLN A 65 -2.386 9.762 3.928 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.005 12.432 4.544 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.408 10.872 4.845 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.764 12.390 5.644 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.664 10.089 6.011 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.132 10.060 6.861 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.114 10.929 8.838 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.223 12.176 9.419 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.812 12.000 2.141 1.00 0.00 N ATOM 1164 CA VAL A 66 -0.087 12.680 1.074 1.00 0.00 C ATOM 1165 C VAL A 66 -1.001 13.630 0.308 1.00 0.00 C ATOM 1166 O VAL A 66 -0.583 14.711 -0.108 1.00 0.00 O ATOM 1167 CB VAL A 66 0.533 11.673 0.086 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.156 12.400 -1.096 1.00 0.00 C ATOM 1169 CG2 VAL A 66 1.562 10.802 0.790 1.00 0.00 C ATOM 0 H VAL A 66 -0.764 10.982 2.101 1.00 0.00 H new ATOM 0 HA VAL A 66 0.711 13.251 1.548 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.259 11.026 -0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.589 11.673 -1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.389 12.977 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.937 13.072 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.990 10.097 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.353 11.431 1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.081 10.253 1.600 1.00 0.00 H new ATOM 1179 N LYS A 67 -2.251 13.219 0.124 1.00 0.00 N ATOM 1180 CA LYS A 67 -3.227 14.034 -0.591 1.00 0.00 C ATOM 1181 C LYS A 67 -3.376 15.403 0.063 1.00 0.00 C ATOM 1182 O LYS A 67 -3.619 16.402 -0.614 1.00 0.00 O ATOM 1183 CB LYS A 67 -4.583 13.325 -0.630 1.00 0.00 C ATOM 1184 CG LYS A 67 -5.617 14.036 -1.485 1.00 0.00 C ATOM 1185 CD LYS A 67 -6.782 13.123 -1.827 1.00 0.00 C ATOM 1186 CE LYS A 67 -7.632 13.700 -2.948 1.00 0.00 C ATOM 1187 NZ LYS A 67 -6.904 13.712 -4.247 1.00 0.00 N ATOM 0 H LYS A 67 -2.612 12.326 0.460 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.868 14.175 -1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.444 12.313 -1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.965 13.234 0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.986 14.915 -0.956 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.149 14.390 -2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.404 12.144 -2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.399 12.972 -0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.546 13.114 -3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.932 14.716 -2.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.588 13.782 -5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.260 14.528 -4.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.355 12.834 -4.345 1.00 0.00 H new ATOM 1201 N ASP A 68 -3.228 15.443 1.383 1.00 0.00 N ATOM 1202 CA ASP A 68 -3.344 16.691 2.128 1.00 0.00 C ATOM 1203 C ASP A 68 -2.049 17.493 2.050 1.00 0.00 C ATOM 1204 O ASP A 68 -2.039 18.629 1.575 1.00 0.00 O ATOM 1205 CB ASP A 68 -3.694 16.406 3.590 1.00 0.00 C ATOM 1206 CG ASP A 68 -4.455 17.547 4.236 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -4.310 18.697 3.769 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -5.196 17.291 5.208 1.00 0.00 O ATOM 0 H ASP A 68 -3.027 14.625 1.959 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.143 17.281 1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.292 15.496 3.647 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.778 16.221 4.151 1.00 0.00 H new ATOM 1213 N ILE A 69 -0.959 16.895 2.518 1.00 0.00 N ATOM 1214 CA ILE A 69 0.341 17.554 2.500 1.00 0.00 C ATOM 1215 C ILE A 69 0.636 18.151 1.129 1.00 0.00 C ATOM 1216 O ILE A 69 1.416 19.096 1.006 1.00 0.00 O ATOM 1217 CB ILE A 69 1.472 16.578 2.876 1.00 0.00 C ATOM 1218 CG1 ILE A 69 1.910 15.774 1.651 1.00 0.00 C ATOM 1219 CG2 ILE A 69 1.020 15.649 3.993 1.00 0.00 C ATOM 1220 CD1 ILE A 69 3.020 14.788 1.940 1.00 0.00 C ATOM 0 H ILE A 69 -0.950 15.955 2.914 1.00 0.00 H new ATOM 0 HA ILE A 69 0.300 18.353 3.240 1.00 0.00 H new ATOM 0 HB ILE A 69 2.326 17.154 3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.050 15.234 1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.240 16.463 0.874 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.830 14.965 4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.753 16.238 4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.153 15.077 3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.279 14.254 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.895 15.323 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.687 14.076 2.695 1.00 0.00 H new ATOM 1232 N MET A 70 0.005 17.596 0.099 1.00 0.00 N ATOM 1233 CA MET A 70 0.197 18.076 -1.264 1.00 0.00 C ATOM 1234 C MET A 70 -0.834 19.144 -1.615 1.00 0.00 C ATOM 1235 O MET A 70 -1.830 19.315 -0.911 1.00 0.00 O ATOM 1236 CB MET A 70 0.103 16.915 -2.255 1.00 0.00 C ATOM 1237 CG MET A 70 -1.305 16.671 -2.773 1.00 0.00 C ATOM 1238 SD MET A 70 -1.666 17.608 -4.271 1.00 0.00 S ATOM 1239 CE MET A 70 -1.185 16.430 -5.532 1.00 0.00 C ATOM 0 H MET A 70 -0.644 16.813 0.183 1.00 0.00 H new ATOM 0 HA MET A 70 1.190 18.520 -1.329 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.763 17.115 -3.100 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.467 16.007 -1.774 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.435 15.608 -2.974 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.024 16.939 -1.999 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.558 16.762 -6.501 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.098 16.358 -5.567 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.606 15.453 -5.296 1.00 0.00 H new ATOM 1249 N LYS A 71 -0.589 19.861 -2.706 1.00 0.00 N ATOM 1250 CA LYS A 71 -1.496 20.912 -3.152 1.00 0.00 C ATOM 1251 C LYS A 71 -1.266 21.242 -4.623 1.00 0.00 C ATOM 1252 O LYS A 71 -0.169 21.638 -5.018 1.00 0.00 O ATOM 1253 CB LYS A 71 -1.309 22.170 -2.301 1.00 0.00 C ATOM 1254 CG LYS A 71 -2.527 23.077 -2.279 1.00 0.00 C ATOM 1255 CD LYS A 71 -2.658 23.866 -3.571 1.00 0.00 C ATOM 1256 CE LYS A 71 -3.880 24.771 -3.550 1.00 0.00 C ATOM 1257 NZ LYS A 71 -5.095 24.075 -4.056 1.00 0.00 N ATOM 0 H LYS A 71 0.231 19.733 -3.299 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.517 20.550 -3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.068 21.875 -1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.455 22.731 -2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.425 22.478 -2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.454 23.765 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.762 24.467 -3.724 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.728 23.178 -4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.058 25.118 -2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.688 25.655 -4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.906 24.726 -4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.935 23.766 -5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.294 23.246 -3.460 1.00 0.00 H new ATOM 1271 N THR A 72 -2.309 21.078 -5.432 1.00 0.00 N ATOM 1272 CA THR A 72 -2.220 21.358 -6.859 1.00 0.00 C ATOM 1273 C THR A 72 -1.658 22.752 -7.111 1.00 0.00 C ATOM 1274 O THR A 72 -0.983 22.989 -8.114 1.00 0.00 O ATOM 1275 CB THR A 72 -3.597 21.241 -7.541 1.00 0.00 C ATOM 1276 OG1 THR A 72 -4.534 22.117 -6.906 1.00 0.00 O ATOM 1277 CG2 THR A 72 -4.110 19.810 -7.480 1.00 0.00 C ATOM 0 H THR A 72 -3.225 20.753 -5.122 1.00 0.00 H new ATOM 0 HA THR A 72 -1.547 20.615 -7.286 1.00 0.00 H new ATOM 0 HB THR A 72 -3.486 21.526 -8.587 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.406 22.038 -7.346 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.083 19.751 -7.967 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.408 19.150 -7.990 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.207 19.502 -6.439 1.00 0.00 H new TER 1285 THR A 72