USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=22 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 35 GLN : amide:sc= -0.2 K(o=0.11,f=-5.3!) USER MOD Set 1.2: A 38 LYS NZ :NH3+ 142:sc= 0.312 (180deg=0) USER MOD Set 2.1: A 21 ASN :FLIP amide:sc= -0.71 F(o=-3.6,f=-1.6) USER MOD Set 2.2: A 24 SER OG : rot 70:sc= -0.889 USER MOD Set 3.1: A -3 HIS : no HD1:sc= -0.0519 X(o=-0.1,f=0.024) USER MOD Set 3.2: A -5 SER OG : rot -179:sc= -0.0485 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= -0.568 X(o=-0.57,f=-0.9) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.29 F(o=-2.7,f=-0.29) USER MOD Single : A -1 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 MET CE :methyl -151:sc= -0.187 (180deg=-0.766) USER MOD Single : A -5 SER N :NH3+ -110:sc= 0.092 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.074 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 159:sc= -9! (180deg=-10!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 50:sc= -1.8 USER MOD Single : A 30 GLN : amide:sc= -0.0523 X(o=-0.052,f=-0.0097) USER MOD Single : A 36 MET CE :methyl -111:sc=-0.00874 (180deg=-1.04) USER MOD Single : A 37 ASN : amide:sc= -0.081 K(o=-0.081,f=-0.62) 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 -44:sc= 0.729 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= -0.0984 X(o=-0.098,f=-0.039) USER MOD Single : A 50 GLN : amide:sc= -0.233 K(o=-0.23,f=-4.2!) USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0117) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.0428 K(o=-0.043,f=-1.2) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 60 ASN :FLIP amide:sc= -1.6! C(o=-2.6!,f=-1.6!) 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 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -5 6.938 -2.489 -17.612 1.00 0.00 N ATOM 2 CA SER A -5 7.519 -3.686 -18.209 1.00 0.00 C ATOM 3 C SER A -5 6.770 -4.936 -17.758 1.00 0.00 C ATOM 4 O SER A -5 6.028 -4.909 -16.776 1.00 0.00 O ATOM 5 CB SER A -5 8.998 -3.801 -17.835 1.00 0.00 C ATOM 6 OG SER A -5 9.161 -3.931 -16.434 1.00 0.00 O ATOM 0 H1 SER A -5 6.457 -1.933 -18.347 1.00 0.00 H new ATOM 0 H2 SER A -5 6.251 -2.764 -16.881 1.00 0.00 H new ATOM 0 H3 SER A -5 7.691 -1.915 -17.181 1.00 0.00 H new ATOM 0 HA SER A -5 7.431 -3.602 -19.292 1.00 0.00 H new ATOM 0 HB2 SER A -5 9.437 -4.663 -18.337 1.00 0.00 H new ATOM 0 HB3 SER A -5 9.535 -2.920 -18.187 1.00 0.00 H new ATOM 0 HG SER A -5 10.116 -3.988 -16.220 1.00 0.00 H new ATOM 12 N ASP A -4 6.969 -6.031 -18.484 1.00 0.00 N ATOM 13 CA ASP A -4 6.314 -7.293 -18.159 1.00 0.00 C ATOM 14 C ASP A -4 7.320 -8.304 -17.617 1.00 0.00 C ATOM 15 O ASP A -4 7.965 -9.023 -18.380 1.00 0.00 O ATOM 16 CB ASP A -4 5.616 -7.862 -19.395 1.00 0.00 C ATOM 17 CG ASP A -4 6.591 -8.210 -20.502 1.00 0.00 C ATOM 18 OD1 ASP A -4 7.516 -7.409 -20.753 1.00 0.00 O ATOM 19 OD2 ASP A -4 6.430 -9.285 -21.118 1.00 0.00 O ATOM 0 H ASP A -4 7.578 -6.070 -19.301 1.00 0.00 H new ATOM 0 HA ASP A -4 5.569 -7.099 -17.387 1.00 0.00 H new ATOM 0 HB2 ASP A -4 5.056 -8.754 -19.114 1.00 0.00 H new ATOM 0 HB3 ASP A -4 4.893 -7.136 -19.767 1.00 0.00 H new ATOM 24 N HIS A -3 7.450 -8.352 -16.295 1.00 0.00 N ATOM 25 CA HIS A -3 8.378 -9.274 -15.651 1.00 0.00 C ATOM 26 C HIS A -3 7.671 -10.567 -15.254 1.00 0.00 C ATOM 27 O HIS A -3 6.443 -10.631 -15.228 1.00 0.00 O ATOM 28 CB HIS A -3 9.005 -8.622 -14.418 1.00 0.00 C ATOM 29 CG HIS A -3 10.086 -7.638 -14.746 1.00 0.00 C ATOM 30 ND1 HIS A -3 11.262 -7.546 -14.032 1.00 0.00 N ATOM 31 CD2 HIS A -3 10.164 -6.700 -15.719 1.00 0.00 C ATOM 32 CE1 HIS A -3 12.016 -6.593 -14.550 1.00 0.00 C ATOM 33 NE2 HIS A -3 11.373 -6.064 -15.576 1.00 0.00 N ATOM 0 H HIS A -3 6.924 -7.763 -15.649 1.00 0.00 H new ATOM 0 HA HIS A -3 9.166 -9.516 -16.365 1.00 0.00 H new ATOM 0 HB2 HIS A -3 8.225 -8.116 -13.848 1.00 0.00 H new ATOM 0 HB3 HIS A -3 9.416 -9.400 -13.775 1.00 0.00 H new ATOM 0 HD2 HIS A -3 9.415 -6.491 -16.468 1.00 0.00 H new ATOM 0 HE1 HIS A -3 12.992 -6.297 -14.195 1.00 0.00 H new ATOM 0 HE2 HIS A -3 11.718 -5.307 -16.166 1.00 0.00 H new ATOM 42 N MET A -2 8.456 -11.594 -14.945 1.00 0.00 N ATOM 43 CA MET A -2 7.905 -12.884 -14.549 1.00 0.00 C ATOM 44 C MET A -2 7.532 -12.885 -13.070 1.00 0.00 C ATOM 45 O MET A -2 6.387 -13.160 -12.707 1.00 0.00 O ATOM 46 CB MET A -2 8.911 -14.002 -14.833 1.00 0.00 C ATOM 47 CG MET A -2 9.644 -13.838 -16.155 1.00 0.00 C ATOM 48 SD MET A -2 11.303 -14.541 -16.120 1.00 0.00 S ATOM 49 CE MET A -2 12.111 -13.446 -14.955 1.00 0.00 C ATOM 0 H MET A -2 9.475 -11.558 -14.961 1.00 0.00 H new ATOM 0 HA MET A -2 7.002 -13.060 -15.134 1.00 0.00 H new ATOM 0 HB2 MET A -2 9.641 -14.037 -14.024 1.00 0.00 H new ATOM 0 HB3 MET A -2 8.389 -14.959 -14.833 1.00 0.00 H new ATOM 0 HG2 MET A -2 9.068 -14.316 -16.947 1.00 0.00 H new ATOM 0 HG3 MET A -2 9.708 -12.778 -16.402 1.00 0.00 H new ATOM 0 HE1 MET A -2 13.174 -13.387 -15.188 1.00 0.00 H new ATOM 0 HE2 MET A -2 11.669 -12.452 -15.023 1.00 0.00 H new ATOM 0 HE3 MET A -2 11.982 -13.832 -13.944 1.00 0.00 H new ATOM 59 N THR A -1 8.504 -12.574 -12.218 1.00 0.00 N ATOM 60 CA THR A -1 8.278 -12.540 -10.779 1.00 0.00 C ATOM 61 C THR A -1 6.876 -12.038 -10.454 1.00 0.00 C ATOM 62 O THR A -1 6.435 -11.016 -10.981 1.00 0.00 O ATOM 63 CB THR A -1 9.310 -11.644 -10.069 1.00 0.00 C ATOM 64 OG1 THR A -1 10.623 -12.194 -10.220 1.00 0.00 O ATOM 65 CG2 THR A -1 8.980 -11.506 -8.590 1.00 0.00 C ATOM 0 H THR A -1 9.456 -12.342 -12.501 1.00 0.00 H new ATOM 0 HA THR A -1 8.387 -13.563 -10.418 1.00 0.00 H new ATOM 0 HB THR A -1 9.276 -10.655 -10.527 1.00 0.00 H new ATOM 0 HG1 THR A -1 11.273 -11.617 -9.767 1.00 0.00 H new ATOM 0 HG21 THR A -1 9.722 -10.869 -8.109 1.00 0.00 H new ATOM 0 HG22 THR A -1 7.992 -11.060 -8.478 1.00 0.00 H new ATOM 0 HG23 THR A -1 8.989 -12.490 -8.122 1.00 0.00 H new ATOM 73 N MET A 1 6.179 -12.761 -9.584 1.00 0.00 N ATOM 74 CA MET A 1 4.827 -12.386 -9.188 1.00 0.00 C ATOM 75 C MET A 1 4.673 -12.428 -7.671 1.00 0.00 C ATOM 76 O MET A 1 3.676 -12.931 -7.152 1.00 0.00 O ATOM 77 CB MET A 1 3.804 -13.317 -9.842 1.00 0.00 C ATOM 78 CG MET A 1 4.176 -14.788 -9.750 1.00 0.00 C ATOM 79 SD MET A 1 3.537 -15.575 -8.259 1.00 0.00 S ATOM 80 CE MET A 1 4.613 -17.001 -8.141 1.00 0.00 C ATOM 0 H MET A 1 6.528 -13.610 -9.140 1.00 0.00 H new ATOM 0 HA MET A 1 4.647 -11.365 -9.526 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.833 -13.166 -9.370 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.694 -13.043 -10.891 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.791 -15.311 -10.625 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.261 -14.886 -9.771 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.342 -17.590 -7.265 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.506 -17.613 -9.037 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.647 -16.670 -8.050 1.00 0.00 H new ATOM 90 N SER A 2 5.666 -11.896 -6.965 1.00 0.00 N ATOM 91 CA SER A 2 5.642 -11.877 -5.507 1.00 0.00 C ATOM 92 C SER A 2 4.919 -10.636 -4.992 1.00 0.00 C ATOM 93 O SER A 2 4.712 -9.673 -5.730 1.00 0.00 O ATOM 94 CB SER A 2 7.067 -11.918 -4.952 1.00 0.00 C ATOM 95 OG SER A 2 7.685 -10.645 -5.037 1.00 0.00 O ATOM 0 H SER A 2 6.497 -11.473 -7.379 1.00 0.00 H new ATOM 0 HA SER A 2 5.101 -12.760 -5.165 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.047 -12.247 -3.913 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.656 -12.649 -5.506 1.00 0.00 H new ATOM 0 HG SER A 2 8.594 -10.698 -4.674 1.00 0.00 H new ATOM 101 N LEU A 3 4.537 -10.668 -3.720 1.00 0.00 N ATOM 102 CA LEU A 3 3.837 -9.546 -3.103 1.00 0.00 C ATOM 103 C LEU A 3 4.784 -8.374 -2.870 1.00 0.00 C ATOM 104 O LEU A 3 4.360 -7.220 -2.832 1.00 0.00 O ATOM 105 CB LEU A 3 3.207 -9.979 -1.778 1.00 0.00 C ATOM 106 CG LEU A 3 1.978 -9.188 -1.329 1.00 0.00 C ATOM 107 CD1 LEU A 3 2.348 -7.739 -1.054 1.00 0.00 C ATOM 108 CD2 LEU A 3 0.878 -9.270 -2.377 1.00 0.00 C ATOM 0 H LEU A 3 4.700 -11.458 -3.096 1.00 0.00 H new ATOM 0 HA LEU A 3 3.050 -9.222 -3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.929 -11.030 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.965 -9.908 -0.998 1.00 0.00 H new ATOM 0 HG LEU A 3 1.604 -9.628 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.461 -7.191 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.101 -7.699 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.747 -7.287 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.011 -8.701 -2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.240 -8.856 -3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.593 -10.312 -2.525 1.00 0.00 H new ATOM 120 N GLN A 4 6.069 -8.680 -2.718 1.00 0.00 N ATOM 121 CA GLN A 4 7.076 -7.650 -2.490 1.00 0.00 C ATOM 122 C GLN A 4 7.117 -6.662 -3.651 1.00 0.00 C ATOM 123 O GLN A 4 7.135 -5.449 -3.445 1.00 0.00 O ATOM 124 CB GLN A 4 8.454 -8.288 -2.300 1.00 0.00 C ATOM 125 CG GLN A 4 9.383 -7.476 -1.414 1.00 0.00 C ATOM 126 CD GLN A 4 8.717 -7.021 -0.131 1.00 0.00 C ATOM 127 OE1 GLN A 4 8.739 -5.837 0.208 1.00 0.00 O ATOM 128 NE2 GLN A 4 8.119 -7.961 0.591 1.00 0.00 N ATOM 0 H GLN A 4 6.437 -9.631 -2.749 1.00 0.00 H new ATOM 0 HA GLN A 4 6.806 -7.107 -1.584 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.329 -9.281 -1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 4 8.921 -8.422 -3.276 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.261 -8.074 -1.171 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.734 -6.604 -1.965 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.125 -8.930 0.272 1.00 0.00 H new ATOM 0 HE22 GLN A 4 7.653 -7.714 1.464 1.00 0.00 H new ATOM 137 N MET A 5 7.130 -7.189 -4.871 1.00 0.00 N ATOM 138 CA MET A 5 7.168 -6.353 -6.065 1.00 0.00 C ATOM 139 C MET A 5 6.065 -5.299 -6.025 1.00 0.00 C ATOM 140 O MET A 5 6.119 -4.304 -6.748 1.00 0.00 O ATOM 141 CB MET A 5 7.022 -7.213 -7.321 1.00 0.00 C ATOM 142 CG MET A 5 8.319 -7.873 -7.760 1.00 0.00 C ATOM 143 SD MET A 5 9.644 -6.682 -8.038 1.00 0.00 S ATOM 144 CE MET A 5 11.008 -7.495 -7.208 1.00 0.00 C ATOM 0 H MET A 5 7.115 -8.191 -5.059 1.00 0.00 H new ATOM 0 HA MET A 5 8.132 -5.845 -6.092 1.00 0.00 H new ATOM 0 HB2 MET A 5 6.275 -7.985 -7.138 1.00 0.00 H new ATOM 0 HB3 MET A 5 6.646 -6.593 -8.135 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.633 -8.589 -7.001 1.00 0.00 H new ATOM 0 HG3 MET A 5 8.144 -8.436 -8.677 1.00 0.00 H new ATOM 0 HE1 MET A 5 11.904 -6.880 -7.292 1.00 0.00 H new ATOM 0 HE2 MET A 5 10.762 -7.636 -6.156 1.00 0.00 H new ATOM 0 HE3 MET A 5 11.189 -8.465 -7.671 1.00 0.00 H new ATOM 154 N ILE A 6 5.068 -5.524 -5.176 1.00 0.00 N ATOM 155 CA ILE A 6 3.954 -4.594 -5.042 1.00 0.00 C ATOM 156 C ILE A 6 4.212 -3.584 -3.929 1.00 0.00 C ATOM 157 O ILE A 6 4.335 -2.385 -4.180 1.00 0.00 O ATOM 158 CB ILE A 6 2.635 -5.333 -4.753 1.00 0.00 C ATOM 159 CG1 ILE A 6 2.560 -6.626 -5.568 1.00 0.00 C ATOM 160 CG2 ILE A 6 1.446 -4.436 -5.065 1.00 0.00 C ATOM 161 CD1 ILE A 6 2.507 -6.398 -7.062 1.00 0.00 C ATOM 0 H ILE A 6 5.009 -6.343 -4.570 1.00 0.00 H new ATOM 0 HA ILE A 6 3.866 -4.069 -5.993 1.00 0.00 H new ATOM 0 HB ILE A 6 2.605 -5.590 -3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.427 -7.244 -5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.677 -7.187 -5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.521 -4.973 -4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.494 -3.540 -4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.471 -4.152 -6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.455 -7.358 -7.575 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.625 -5.807 -7.309 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.402 -5.864 -7.381 1.00 0.00 H new ATOM 173 N VAL A 7 4.296 -4.078 -2.697 1.00 0.00 N ATOM 174 CA VAL A 7 4.543 -3.219 -1.545 1.00 0.00 C ATOM 175 C VAL A 7 5.770 -2.342 -1.766 1.00 0.00 C ATOM 176 O VAL A 7 5.830 -1.210 -1.287 1.00 0.00 O ATOM 177 CB VAL A 7 4.741 -4.047 -0.261 1.00 0.00 C ATOM 178 CG1 VAL A 7 3.406 -4.562 0.254 1.00 0.00 C ATOM 179 CG2 VAL A 7 5.705 -5.197 -0.513 1.00 0.00 C ATOM 0 H VAL A 7 4.197 -5.068 -2.472 1.00 0.00 H new ATOM 0 HA VAL A 7 3.664 -2.585 -1.428 1.00 0.00 H new ATOM 0 HB VAL A 7 5.173 -3.402 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.566 -5.144 1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.751 -3.719 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.942 -5.192 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.834 -5.772 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.304 -5.844 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.669 -4.800 -0.831 1.00 0.00 H new ATOM 189 N GLU A 8 6.746 -2.873 -2.495 1.00 0.00 N ATOM 190 CA GLU A 8 7.973 -2.137 -2.779 1.00 0.00 C ATOM 191 C GLU A 8 7.666 -0.820 -3.487 1.00 0.00 C ATOM 192 O GLU A 8 8.284 0.206 -3.207 1.00 0.00 O ATOM 193 CB GLU A 8 8.914 -2.984 -3.638 1.00 0.00 C ATOM 194 CG GLU A 8 8.449 -3.142 -5.076 1.00 0.00 C ATOM 195 CD GLU A 8 9.470 -3.851 -5.945 1.00 0.00 C ATOM 196 OE1 GLU A 8 10.316 -4.583 -5.390 1.00 0.00 O ATOM 197 OE2 GLU A 8 9.422 -3.673 -7.180 1.00 0.00 O ATOM 0 H GLU A 8 6.712 -3.809 -2.899 1.00 0.00 H new ATOM 0 HA GLU A 8 8.461 -1.914 -1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.905 -2.529 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.014 -3.971 -3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.513 -3.701 -5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.240 -2.158 -5.496 1.00 0.00 H new ATOM 204 N ASN A 9 6.707 -0.859 -4.407 1.00 0.00 N ATOM 205 CA ASN A 9 6.319 0.330 -5.157 1.00 0.00 C ATOM 206 C ASN A 9 5.945 1.469 -4.214 1.00 0.00 C ATOM 207 O ASN A 9 6.195 2.639 -4.506 1.00 0.00 O ATOM 208 CB ASN A 9 5.143 0.012 -6.083 1.00 0.00 C ATOM 209 CG ASN A 9 5.586 -0.640 -7.378 1.00 0.00 C ATOM 210 OD1 ASN A 9 6.333 -1.732 -7.265 1.00 0.00 O flip ATOM 211 ND2 ASN A 9 5.261 -0.168 -8.467 1.00 0.00 N flip ATOM 0 H ASN A 9 6.185 -1.701 -4.651 1.00 0.00 H new ATOM 0 HA ASN A 9 7.172 0.645 -5.758 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.446 -0.648 -5.567 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.603 0.932 -6.309 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.686 0.673 -8.507 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.567 -0.618 -9.330 1.00 0.00 H new ATOM 218 N VAL A 10 5.345 1.120 -3.080 1.00 0.00 N ATOM 219 CA VAL A 10 4.938 2.112 -2.093 1.00 0.00 C ATOM 220 C VAL A 10 6.125 2.955 -1.640 1.00 0.00 C ATOM 221 O VAL A 10 6.063 4.185 -1.640 1.00 0.00 O ATOM 222 CB VAL A 10 4.294 1.448 -0.862 1.00 0.00 C ATOM 223 CG1 VAL A 10 3.919 2.495 0.176 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.078 0.632 -1.272 1.00 0.00 C ATOM 0 H VAL A 10 5.130 0.157 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 10 4.202 2.755 -2.575 1.00 0.00 H new ATOM 0 HB VAL A 10 5.022 0.772 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.465 2.006 1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.814 3.031 0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.209 3.199 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.636 0.170 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.345 1.285 -1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.381 -0.144 -1.975 1.00 0.00 H new ATOM 234 N LYS A 11 7.206 2.286 -1.254 1.00 0.00 N ATOM 235 CA LYS A 11 8.409 2.972 -0.800 1.00 0.00 C ATOM 236 C LYS A 11 8.840 4.037 -1.804 1.00 0.00 C ATOM 237 O LYS A 11 9.302 5.114 -1.423 1.00 0.00 O ATOM 238 CB LYS A 11 9.544 1.968 -0.587 1.00 0.00 C ATOM 239 CG LYS A 11 9.208 0.873 0.411 1.00 0.00 C ATOM 240 CD LYS A 11 8.601 1.444 1.681 1.00 0.00 C ATOM 241 CE LYS A 11 8.877 0.550 2.881 1.00 0.00 C ATOM 242 NZ LYS A 11 8.813 1.306 4.162 1.00 0.00 N ATOM 0 H LYS A 11 7.273 1.268 -1.247 1.00 0.00 H new ATOM 0 HA LYS A 11 8.182 3.461 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.798 1.511 -1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.430 2.502 -0.244 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.511 0.168 -0.042 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.111 0.314 0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.008 2.438 1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.525 1.559 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.151 -0.263 2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.862 0.095 2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.007 0.662 4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.523 2.066 4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.865 1.719 4.275 1.00 0.00 H new ATOM 256 N LEU A 12 8.686 3.731 -3.087 1.00 0.00 N ATOM 257 CA LEU A 12 9.058 4.662 -4.146 1.00 0.00 C ATOM 258 C LEU A 12 8.100 5.849 -4.188 1.00 0.00 C ATOM 259 O LEU A 12 8.524 6.996 -4.332 1.00 0.00 O ATOM 260 CB LEU A 12 9.065 3.950 -5.500 1.00 0.00 C ATOM 261 CG LEU A 12 9.814 4.660 -6.628 1.00 0.00 C ATOM 262 CD1 LEU A 12 8.920 5.694 -7.294 1.00 0.00 C ATOM 263 CD2 LEU A 12 11.083 5.311 -6.099 1.00 0.00 C ATOM 0 H LEU A 12 8.306 2.845 -3.419 1.00 0.00 H new ATOM 0 HA LEU A 12 10.060 5.034 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.504 2.961 -5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.032 3.800 -5.815 1.00 0.00 H new ATOM 0 HG LEU A 12 10.095 3.918 -7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.470 6.189 -8.094 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.041 5.201 -7.709 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.608 6.434 -6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.603 5.811 -6.916 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.825 6.041 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.732 4.548 -5.670 1.00 0.00 H new ATOM 275 N ALA A 13 6.808 5.565 -4.061 1.00 0.00 N ATOM 276 CA ALA A 13 5.792 6.610 -4.080 1.00 0.00 C ATOM 277 C ALA A 13 5.946 7.548 -2.888 1.00 0.00 C ATOM 278 O ALA A 13 5.848 8.767 -3.028 1.00 0.00 O ATOM 279 CB ALA A 13 4.401 5.992 -4.092 1.00 0.00 C ATOM 0 H ALA A 13 6.440 4.621 -3.944 1.00 0.00 H new ATOM 0 HA ALA A 13 5.926 7.196 -4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.651 6.783 -4.106 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.287 5.369 -4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.267 5.381 -3.199 1.00 0.00 H new ATOM 285 N ARG A 14 6.186 6.972 -1.714 1.00 0.00 N ATOM 286 CA ARG A 14 6.351 7.757 -0.497 1.00 0.00 C ATOM 287 C ARG A 14 7.496 8.755 -0.645 1.00 0.00 C ATOM 288 O ARG A 14 7.405 9.891 -0.181 1.00 0.00 O ATOM 289 CB ARG A 14 6.614 6.837 0.697 1.00 0.00 C ATOM 290 CG ARG A 14 6.673 7.569 2.028 1.00 0.00 C ATOM 291 CD ARG A 14 6.227 6.675 3.175 1.00 0.00 C ATOM 292 NE ARG A 14 6.480 7.288 4.476 1.00 0.00 N ATOM 293 CZ ARG A 14 6.564 6.600 5.609 1.00 0.00 C ATOM 294 NH1 ARG A 14 6.416 5.282 5.600 1.00 0.00 N ATOM 295 NH2 ARG A 14 6.797 7.229 6.754 1.00 0.00 N ATOM 0 H ARG A 14 6.270 5.964 -1.580 1.00 0.00 H new ATOM 0 HA ARG A 14 5.428 8.311 -0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.830 6.081 0.742 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.555 6.311 0.539 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.690 7.915 2.209 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.038 8.454 1.987 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.163 6.461 3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.751 5.721 3.116 1.00 0.00 H new ATOM 0 HE ARG A 14 6.599 8.300 4.517 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.237 4.795 4.722 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.481 4.756 6.471 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.912 8.242 6.765 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.861 6.699 7.623 1.00 0.00 H new ATOM 309 N GLU A 15 8.572 8.321 -1.295 1.00 0.00 N ATOM 310 CA GLU A 15 9.734 9.177 -1.502 1.00 0.00 C ATOM 311 C GLU A 15 9.382 10.368 -2.389 1.00 0.00 C ATOM 312 O GLU A 15 9.827 11.490 -2.147 1.00 0.00 O ATOM 313 CB GLU A 15 10.877 8.378 -2.133 1.00 0.00 C ATOM 314 CG GLU A 15 12.255 8.940 -1.824 1.00 0.00 C ATOM 315 CD GLU A 15 12.848 8.364 -0.553 1.00 0.00 C ATOM 316 OE1 GLU A 15 12.979 7.124 -0.468 1.00 0.00 O ATOM 317 OE2 GLU A 15 13.180 9.151 0.358 1.00 0.00 O ATOM 0 H GLU A 15 8.663 7.383 -1.686 1.00 0.00 H new ATOM 0 HA GLU A 15 10.055 9.552 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.827 7.348 -1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.738 8.353 -3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.924 8.732 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.189 10.024 -1.731 1.00 0.00 H new ATOM 324 N TYR A 16 8.580 10.115 -3.418 1.00 0.00 N ATOM 325 CA TYR A 16 8.170 11.165 -4.343 1.00 0.00 C ATOM 326 C TYR A 16 7.334 12.223 -3.630 1.00 0.00 C ATOM 327 O TYR A 16 7.494 13.420 -3.867 1.00 0.00 O ATOM 328 CB TYR A 16 7.374 10.567 -5.505 1.00 0.00 C ATOM 329 CG TYR A 16 8.234 9.857 -6.525 1.00 0.00 C ATOM 330 CD1 TYR A 16 9.257 9.004 -6.129 1.00 0.00 C ATOM 331 CD2 TYR A 16 8.023 10.038 -7.887 1.00 0.00 C ATOM 332 CE1 TYR A 16 10.045 8.354 -7.059 1.00 0.00 C ATOM 333 CE2 TYR A 16 8.805 9.390 -8.824 1.00 0.00 C ATOM 334 CZ TYR A 16 9.815 8.550 -8.404 1.00 0.00 C ATOM 335 OH TYR A 16 10.598 7.903 -9.334 1.00 0.00 O ATOM 0 H TYR A 16 8.201 9.192 -3.632 1.00 0.00 H new ATOM 0 HA TYR A 16 9.069 11.642 -4.734 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.640 9.865 -5.109 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.818 11.363 -6.001 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.439 8.847 -5.076 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.234 10.697 -8.219 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.837 7.696 -6.734 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.626 9.540 -9.878 1.00 0.00 H new ATOM 0 HH TYR A 16 10.305 8.148 -10.236 1.00 0.00 H new ATOM 345 N ALA A 17 6.441 11.772 -2.755 1.00 0.00 N ATOM 346 CA ALA A 17 5.581 12.678 -2.005 1.00 0.00 C ATOM 347 C ALA A 17 6.405 13.692 -1.219 1.00 0.00 C ATOM 348 O ALA A 17 6.024 14.858 -1.099 1.00 0.00 O ATOM 349 CB ALA A 17 4.675 11.892 -1.069 1.00 0.00 C ATOM 0 H ALA A 17 6.295 10.784 -2.548 1.00 0.00 H new ATOM 0 HA ALA A 17 4.963 13.225 -2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.038 12.582 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.053 11.212 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.284 11.319 -0.370 1.00 0.00 H new ATOM 355 N LEU A 18 7.535 13.243 -0.685 1.00 0.00 N ATOM 356 CA LEU A 18 8.413 14.111 0.091 1.00 0.00 C ATOM 357 C LEU A 18 9.153 15.089 -0.817 1.00 0.00 C ATOM 358 O LEU A 18 9.134 16.299 -0.590 1.00 0.00 O ATOM 359 CB LEU A 18 9.418 13.275 0.886 1.00 0.00 C ATOM 360 CG LEU A 18 8.878 11.983 1.501 1.00 0.00 C ATOM 361 CD1 LEU A 18 9.746 11.546 2.671 1.00 0.00 C ATOM 362 CD2 LEU A 18 7.434 12.166 1.944 1.00 0.00 C ATOM 0 H LEU A 18 7.865 12.282 -0.775 1.00 0.00 H new ATOM 0 HA LEU A 18 7.797 14.683 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.250 13.021 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.822 13.894 1.687 1.00 0.00 H new ATOM 0 HG LEU A 18 8.907 11.201 0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.347 10.625 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.765 11.374 2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.749 12.326 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.066 11.237 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.379 12.961 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.820 12.431 1.083 1.00 0.00 H new ATOM 374 N LEU A 19 9.802 14.556 -1.846 1.00 0.00 N ATOM 375 CA LEU A 19 10.546 15.382 -2.791 1.00 0.00 C ATOM 376 C LEU A 19 9.694 16.546 -3.286 1.00 0.00 C ATOM 377 O LEU A 19 10.208 17.625 -3.577 1.00 0.00 O ATOM 378 CB LEU A 19 11.015 14.537 -3.977 1.00 0.00 C ATOM 379 CG LEU A 19 12.386 13.876 -3.830 1.00 0.00 C ATOM 380 CD1 LEU A 19 12.599 13.399 -2.402 1.00 0.00 C ATOM 381 CD2 LEU A 19 12.528 12.719 -4.808 1.00 0.00 C ATOM 0 H LEU A 19 9.828 13.556 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 19 11.416 15.788 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.275 13.757 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.032 15.170 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 19 13.151 14.617 -4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.580 12.931 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.542 14.249 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.828 12.674 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.510 12.261 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.755 11.977 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.422 13.089 -5.828 1.00 0.00 H new ATOM 393 N GLY A 20 8.387 16.320 -3.377 1.00 0.00 N ATOM 394 CA GLY A 20 7.484 17.359 -3.835 1.00 0.00 C ATOM 395 C GLY A 20 6.481 16.850 -4.851 1.00 0.00 C ATOM 396 O GLY A 20 5.464 17.494 -5.105 1.00 0.00 O ATOM 0 H GLY A 20 7.937 15.435 -3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.951 17.775 -2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.063 18.171 -4.276 1.00 0.00 H new ATOM 400 N ASN A 21 6.769 15.691 -5.434 1.00 0.00 N ATOM 401 CA ASN A 21 5.884 15.097 -6.430 1.00 0.00 C ATOM 402 C ASN A 21 4.877 14.158 -5.772 1.00 0.00 C ATOM 403 O ASN A 21 5.118 12.957 -5.654 1.00 0.00 O ATOM 404 CB ASN A 21 6.700 14.335 -7.477 1.00 0.00 C ATOM 405 CG ASN A 21 6.023 14.312 -8.833 1.00 0.00 C ATOM 406 OD1 ASN A 21 4.707 14.495 -8.841 1.00 0.00 O flip ATOM 407 ND2 ASN A 21 6.675 14.134 -9.862 1.00 0.00 N flip ATOM 0 H ASN A 21 7.607 15.145 -5.234 1.00 0.00 H new ATOM 0 HA ASN A 21 5.337 15.902 -6.920 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.683 14.795 -7.573 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.859 13.312 -7.136 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.684 13.998 -9.809 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.206 14.123 -10.768 1.00 0.00 H new ATOM 414 N TYR A 22 3.748 14.715 -5.347 1.00 0.00 N ATOM 415 CA TYR A 22 2.705 13.929 -4.700 1.00 0.00 C ATOM 416 C TYR A 22 1.797 13.272 -5.735 1.00 0.00 C ATOM 417 O TYR A 22 1.422 12.107 -5.598 1.00 0.00 O ATOM 418 CB TYR A 22 1.876 14.813 -3.766 1.00 0.00 C ATOM 419 CG TYR A 22 2.693 15.856 -3.038 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.074 17.034 -3.670 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.084 15.665 -1.719 1.00 0.00 C ATOM 422 CE1 TYR A 22 3.821 17.990 -3.009 1.00 0.00 C ATOM 423 CE2 TYR A 22 3.829 16.616 -1.049 1.00 0.00 C ATOM 424 CZ TYR A 22 4.195 17.776 -1.698 1.00 0.00 C ATOM 425 OH TYR A 22 4.939 18.726 -1.036 1.00 0.00 O ATOM 0 H TYR A 22 3.532 15.708 -5.439 1.00 0.00 H new ATOM 0 HA TYR A 22 3.186 13.145 -4.115 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.099 15.311 -4.346 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.372 14.182 -3.034 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.781 17.205 -4.695 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.801 14.757 -1.208 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.110 18.899 -3.515 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.123 16.452 -0.023 1.00 0.00 H new ATOM 0 HH TYR A 22 5.118 18.423 -0.121 1.00 0.00 H new ATOM 435 N ASP A 23 1.448 14.027 -6.771 1.00 0.00 N ATOM 436 CA ASP A 23 0.585 13.519 -7.831 1.00 0.00 C ATOM 437 C ASP A 23 1.108 12.191 -8.368 1.00 0.00 C ATOM 438 O ASP A 23 0.337 11.268 -8.629 1.00 0.00 O ATOM 439 CB ASP A 23 0.483 14.539 -8.967 1.00 0.00 C ATOM 440 CG ASP A 23 -0.639 14.218 -9.934 1.00 0.00 C ATOM 441 OD1 ASP A 23 -1.813 14.460 -9.583 1.00 0.00 O ATOM 442 OD2 ASP A 23 -0.344 13.725 -11.043 1.00 0.00 O ATOM 0 H ASP A 23 1.749 14.993 -6.899 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.407 13.354 -7.411 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.323 15.532 -8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.428 14.570 -9.509 1.00 0.00 H new ATOM 447 N SER A 24 2.425 12.102 -8.532 1.00 0.00 N ATOM 448 CA SER A 24 3.051 10.889 -9.043 1.00 0.00 C ATOM 449 C SER A 24 2.913 9.744 -8.044 1.00 0.00 C ATOM 450 O SER A 24 2.881 8.574 -8.424 1.00 0.00 O ATOM 451 CB SER A 24 4.529 11.141 -9.346 1.00 0.00 C ATOM 452 OG SER A 24 5.202 11.657 -8.210 1.00 0.00 O ATOM 0 H SER A 24 3.078 12.856 -8.318 1.00 0.00 H new ATOM 0 HA SER A 24 2.541 10.608 -9.965 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.002 10.211 -9.662 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.619 11.842 -10.176 1.00 0.00 H new ATOM 0 HG SER A 24 5.277 10.957 -7.528 1.00 0.00 H new ATOM 458 N ALA A 25 2.832 10.091 -6.763 1.00 0.00 N ATOM 459 CA ALA A 25 2.696 9.095 -5.709 1.00 0.00 C ATOM 460 C ALA A 25 1.285 8.518 -5.678 1.00 0.00 C ATOM 461 O ALA A 25 1.092 7.340 -5.376 1.00 0.00 O ATOM 462 CB ALA A 25 3.050 9.702 -4.359 1.00 0.00 C ATOM 0 H ALA A 25 2.858 11.055 -6.431 1.00 0.00 H new ATOM 0 HA ALA A 25 3.389 8.281 -5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.944 8.946 -3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.080 10.059 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.381 10.536 -4.148 1.00 0.00 H new ATOM 468 N MET A 26 0.301 9.355 -5.991 1.00 0.00 N ATOM 469 CA MET A 26 -1.093 8.927 -5.999 1.00 0.00 C ATOM 470 C MET A 26 -1.294 7.748 -6.947 1.00 0.00 C ATOM 471 O MET A 26 -1.770 6.687 -6.542 1.00 0.00 O ATOM 472 CB MET A 26 -2.003 10.087 -6.409 1.00 0.00 C ATOM 473 CG MET A 26 -1.933 11.276 -5.465 1.00 0.00 C ATOM 474 SD MET A 26 -2.036 10.793 -3.730 1.00 0.00 S ATOM 475 CE MET A 26 -0.333 10.347 -3.401 1.00 0.00 C ATOM 0 H MET A 26 0.443 10.333 -6.242 1.00 0.00 H new ATOM 0 HA MET A 26 -1.355 8.608 -4.990 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.732 10.414 -7.413 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.032 9.731 -6.457 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.000 11.814 -5.633 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.745 11.966 -5.695 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.147 10.388 -2.328 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.145 9.337 -3.764 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.331 11.045 -3.911 1.00 0.00 H new ATOM 485 N VAL A 27 -0.929 7.942 -8.210 1.00 0.00 N ATOM 486 CA VAL A 27 -1.069 6.895 -9.215 1.00 0.00 C ATOM 487 C VAL A 27 -0.358 5.618 -8.781 1.00 0.00 C ATOM 488 O VAL A 27 -0.814 4.512 -9.071 1.00 0.00 O ATOM 489 CB VAL A 27 -0.508 7.345 -10.577 1.00 0.00 C ATOM 490 CG1 VAL A 27 -0.999 8.742 -10.922 1.00 0.00 C ATOM 491 CG2 VAL A 27 1.013 7.292 -10.569 1.00 0.00 C ATOM 0 H VAL A 27 -0.534 8.814 -8.562 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.136 6.696 -9.318 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.869 6.660 -11.344 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.592 9.043 -11.888 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.088 8.743 -10.971 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.669 9.443 -10.155 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.393 7.613 -11.539 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.396 7.953 -9.792 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.340 6.271 -10.371 1.00 0.00 H new ATOM 501 N TYR A 28 0.762 5.779 -8.085 1.00 0.00 N ATOM 502 CA TYR A 28 1.539 4.639 -7.613 1.00 0.00 C ATOM 503 C TYR A 28 0.809 3.911 -6.488 1.00 0.00 C ATOM 504 O TYR A 28 0.578 2.704 -6.561 1.00 0.00 O ATOM 505 CB TYR A 28 2.915 5.098 -7.129 1.00 0.00 C ATOM 506 CG TYR A 28 3.981 5.049 -8.200 1.00 0.00 C ATOM 507 CD1 TYR A 28 3.936 5.907 -9.292 1.00 0.00 C ATOM 508 CD2 TYR A 28 5.033 4.145 -8.120 1.00 0.00 C ATOM 509 CE1 TYR A 28 4.908 5.865 -10.274 1.00 0.00 C ATOM 510 CE2 TYR A 28 6.010 4.097 -9.096 1.00 0.00 C ATOM 511 CZ TYR A 28 5.942 4.959 -10.171 1.00 0.00 C ATOM 512 OH TYR A 28 6.913 4.915 -11.146 1.00 0.00 O ATOM 0 H TYR A 28 1.152 6.688 -7.835 1.00 0.00 H new ATOM 0 HA TYR A 28 1.666 3.948 -8.447 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.837 6.118 -6.752 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.224 4.472 -6.292 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.128 6.619 -9.375 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.088 3.468 -7.280 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.858 6.538 -11.117 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.822 3.389 -9.018 1.00 0.00 H new ATOM 0 HH TYR A 28 7.570 4.223 -10.923 1.00 0.00 H new ATOM 522 N TYR A 29 0.447 4.655 -5.449 1.00 0.00 N ATOM 523 CA TYR A 29 -0.256 4.082 -4.307 1.00 0.00 C ATOM 524 C TYR A 29 -1.519 3.353 -4.754 1.00 0.00 C ATOM 525 O TYR A 29 -1.772 2.220 -4.345 1.00 0.00 O ATOM 526 CB TYR A 29 -0.615 5.176 -3.300 1.00 0.00 C ATOM 527 CG TYR A 29 0.444 5.398 -2.244 1.00 0.00 C ATOM 528 CD1 TYR A 29 0.540 4.558 -1.141 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.348 6.449 -2.347 1.00 0.00 C ATOM 530 CE1 TYR A 29 1.505 4.757 -0.173 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.317 6.655 -1.385 1.00 0.00 C ATOM 532 CZ TYR A 29 2.391 5.806 -0.300 1.00 0.00 C ATOM 533 OH TYR A 29 3.355 6.009 0.662 1.00 0.00 O ATOM 0 H TYR A 29 0.629 5.656 -5.374 1.00 0.00 H new ATOM 0 HA TYR A 29 0.408 3.362 -3.829 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.783 6.110 -3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.554 4.915 -2.812 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.152 3.735 -1.039 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.291 7.116 -3.194 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.565 4.095 0.678 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.013 7.476 -1.481 1.00 0.00 H new ATOM 0 HH TYR A 29 3.827 5.168 0.835 1.00 0.00 H new ATOM 543 N GLN A 30 -2.308 4.012 -5.597 1.00 0.00 N ATOM 544 CA GLN A 30 -3.545 3.427 -6.101 1.00 0.00 C ATOM 545 C GLN A 30 -3.274 2.097 -6.797 1.00 0.00 C ATOM 546 O GLN A 30 -4.097 1.184 -6.754 1.00 0.00 O ATOM 547 CB GLN A 30 -4.233 4.392 -7.067 1.00 0.00 C ATOM 548 CG GLN A 30 -5.557 3.873 -7.605 1.00 0.00 C ATOM 549 CD GLN A 30 -6.630 3.793 -6.537 1.00 0.00 C ATOM 550 OE1 GLN A 30 -7.274 4.790 -6.212 1.00 0.00 O ATOM 551 NE2 GLN A 30 -6.827 2.602 -5.985 1.00 0.00 N ATOM 0 H GLN A 30 -2.113 4.951 -5.945 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.204 3.244 -5.252 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.404 5.341 -6.559 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.564 4.594 -7.904 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.898 4.525 -8.409 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.406 2.884 -8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.270 1.802 -6.285 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.536 2.487 -5.261 1.00 0.00 H new ATOM 560 N GLY A 31 -2.115 1.996 -7.440 1.00 0.00 N ATOM 561 CA GLY A 31 -1.757 0.775 -8.137 1.00 0.00 C ATOM 562 C GLY A 31 -1.374 -0.343 -7.188 1.00 0.00 C ATOM 563 O GLY A 31 -1.764 -1.495 -7.384 1.00 0.00 O ATOM 0 H GLY A 31 -1.417 2.738 -7.491 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.596 0.453 -8.753 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.925 0.976 -8.812 1.00 0.00 H new ATOM 567 N VAL A 32 -0.607 -0.006 -6.156 1.00 0.00 N ATOM 568 CA VAL A 32 -0.171 -0.990 -5.173 1.00 0.00 C ATOM 569 C VAL A 32 -1.352 -1.533 -4.378 1.00 0.00 C ATOM 570 O VAL A 32 -1.446 -2.736 -4.127 1.00 0.00 O ATOM 571 CB VAL A 32 0.859 -0.391 -4.198 1.00 0.00 C ATOM 572 CG1 VAL A 32 1.254 -1.414 -3.143 1.00 0.00 C ATOM 573 CG2 VAL A 32 2.082 0.107 -4.954 1.00 0.00 C ATOM 0 H VAL A 32 -0.275 0.942 -5.979 1.00 0.00 H new ATOM 0 HA VAL A 32 0.296 -1.805 -5.726 1.00 0.00 H new ATOM 0 HB VAL A 32 0.402 0.459 -3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.983 -0.973 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.370 -1.717 -2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.692 -2.286 -3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.799 0.527 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.543 -0.724 -5.489 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.781 0.875 -5.667 1.00 0.00 H new ATOM 583 N LEU A 33 -2.253 -0.640 -3.983 1.00 0.00 N ATOM 584 CA LEU A 33 -3.431 -1.030 -3.215 1.00 0.00 C ATOM 585 C LEU A 33 -4.373 -1.881 -4.058 1.00 0.00 C ATOM 586 O LEU A 33 -5.009 -2.807 -3.553 1.00 0.00 O ATOM 587 CB LEU A 33 -4.165 0.212 -2.705 1.00 0.00 C ATOM 588 CG LEU A 33 -3.570 0.882 -1.466 1.00 0.00 C ATOM 589 CD1 LEU A 33 -2.060 0.707 -1.437 1.00 0.00 C ATOM 590 CD2 LEU A 33 -3.939 2.358 -1.428 1.00 0.00 C ATOM 0 H LEU A 33 -2.191 0.359 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.099 -1.624 -2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.198 0.946 -3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.196 -0.065 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.987 0.401 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.655 1.190 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.817 -0.355 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.624 1.160 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.507 2.818 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.551 2.853 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.024 2.461 -1.399 1.00 0.00 H new ATOM 602 N ASP A 34 -4.457 -1.564 -5.346 1.00 0.00 N ATOM 603 CA ASP A 34 -5.320 -2.302 -6.261 1.00 0.00 C ATOM 604 C ASP A 34 -4.759 -3.695 -6.532 1.00 0.00 C ATOM 605 O ASP A 34 -5.470 -4.693 -6.417 1.00 0.00 O ATOM 606 CB ASP A 34 -5.477 -1.538 -7.576 1.00 0.00 C ATOM 607 CG ASP A 34 -6.567 -0.487 -7.508 1.00 0.00 C ATOM 608 OD1 ASP A 34 -7.470 -0.622 -6.655 1.00 0.00 O ATOM 609 OD2 ASP A 34 -6.517 0.472 -8.306 1.00 0.00 O ATOM 0 H ASP A 34 -3.938 -0.801 -5.780 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.298 -2.408 -5.792 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.531 -1.060 -7.830 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.704 -2.242 -8.377 1.00 0.00 H new ATOM 614 N GLN A 35 -3.481 -3.753 -6.893 1.00 0.00 N ATOM 615 CA GLN A 35 -2.826 -5.023 -7.182 1.00 0.00 C ATOM 616 C GLN A 35 -2.761 -5.898 -5.934 1.00 0.00 C ATOM 617 O GLN A 35 -3.028 -7.098 -5.991 1.00 0.00 O ATOM 618 CB GLN A 35 -1.417 -4.783 -7.725 1.00 0.00 C ATOM 619 CG GLN A 35 -1.393 -4.028 -9.044 1.00 0.00 C ATOM 620 CD GLN A 35 -2.087 -4.783 -10.161 1.00 0.00 C ATOM 621 OE1 GLN A 35 -3.170 -4.402 -10.605 1.00 0.00 O ATOM 622 NE2 GLN A 35 -1.464 -5.862 -10.621 1.00 0.00 N ATOM 0 H GLN A 35 -2.879 -2.936 -6.992 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.415 -5.543 -7.938 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.842 -4.225 -6.986 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.919 -5.744 -7.857 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.874 -3.059 -8.912 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.359 -3.835 -9.329 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.567 -6.141 -10.223 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.882 -6.411 -11.372 1.00 0.00 H new ATOM 631 N MET A 36 -2.404 -5.289 -4.808 1.00 0.00 N ATOM 632 CA MET A 36 -2.305 -6.014 -3.546 1.00 0.00 C ATOM 633 C MET A 36 -3.603 -6.753 -3.240 1.00 0.00 C ATOM 634 O MET A 36 -3.592 -7.941 -2.924 1.00 0.00 O ATOM 635 CB MET A 36 -1.971 -5.050 -2.406 1.00 0.00 C ATOM 636 CG MET A 36 -0.485 -4.762 -2.269 1.00 0.00 C ATOM 637 SD MET A 36 -0.110 -3.700 -0.861 1.00 0.00 S ATOM 638 CE MET A 36 -0.199 -4.879 0.485 1.00 0.00 C ATOM 0 H MET A 36 -2.179 -4.296 -4.743 1.00 0.00 H new ATOM 0 HA MET A 36 -1.504 -6.748 -3.638 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.501 -4.111 -2.568 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.340 -5.467 -1.469 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.055 -5.703 -2.163 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.125 -4.288 -3.182 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.070 -4.661 1.103 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.285 -5.887 0.080 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.704 -4.807 1.092 1.00 0.00 H new ATOM 648 N ASN A 37 -4.721 -6.040 -3.336 1.00 0.00 N ATOM 649 CA ASN A 37 -6.028 -6.629 -3.068 1.00 0.00 C ATOM 650 C ASN A 37 -6.244 -7.881 -3.912 1.00 0.00 C ATOM 651 O ASN A 37 -6.667 -8.920 -3.405 1.00 0.00 O ATOM 652 CB ASN A 37 -7.136 -5.612 -3.350 1.00 0.00 C ATOM 653 CG ASN A 37 -7.521 -4.819 -2.116 1.00 0.00 C ATOM 654 OD1 ASN A 37 -7.663 -5.375 -1.026 1.00 0.00 O ATOM 655 ND2 ASN A 37 -7.693 -3.513 -2.282 1.00 0.00 N ATOM 0 H ASN A 37 -4.748 -5.054 -3.597 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.063 -6.912 -2.016 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.806 -4.927 -4.131 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.014 -6.132 -3.733 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.953 -2.928 -1.488 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.565 -3.095 -3.203 1.00 0.00 H new ATOM 662 N LYS A 38 -5.951 -7.774 -5.204 1.00 0.00 N ATOM 663 CA LYS A 38 -6.111 -8.897 -6.120 1.00 0.00 C ATOM 664 C LYS A 38 -5.404 -10.139 -5.587 1.00 0.00 C ATOM 665 O LYS A 38 -5.884 -11.260 -5.757 1.00 0.00 O ATOM 666 CB LYS A 38 -5.560 -8.537 -7.502 1.00 0.00 C ATOM 667 CG LYS A 38 -6.228 -7.324 -8.126 1.00 0.00 C ATOM 668 CD LYS A 38 -6.203 -7.392 -9.643 1.00 0.00 C ATOM 669 CE LYS A 38 -4.876 -6.900 -10.201 1.00 0.00 C ATOM 670 NZ LYS A 38 -4.999 -6.460 -11.619 1.00 0.00 N ATOM 0 H LYS A 38 -5.601 -6.921 -5.640 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.176 -9.115 -6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.489 -8.349 -7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.684 -9.392 -8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.260 -7.258 -7.781 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.722 -6.418 -7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.376 -8.419 -9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.016 -6.789 -10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.512 -6.071 -9.594 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.135 -7.696 -10.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.406 -5.620 -11.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.686 -7.226 -12.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.991 -6.226 -11.825 1.00 0.00 H new ATOM 684 N TYR A 39 -4.261 -9.933 -4.942 1.00 0.00 N ATOM 685 CA TYR A 39 -3.488 -11.036 -4.385 1.00 0.00 C ATOM 686 C TYR A 39 -4.173 -11.614 -3.150 1.00 0.00 C ATOM 687 O TYR A 39 -4.421 -12.817 -3.069 1.00 0.00 O ATOM 688 CB TYR A 39 -2.077 -10.567 -4.026 1.00 0.00 C ATOM 689 CG TYR A 39 -1.208 -11.656 -3.438 1.00 0.00 C ATOM 690 CD1 TYR A 39 -1.366 -12.062 -2.119 1.00 0.00 C ATOM 691 CD2 TYR A 39 -0.229 -12.279 -4.202 1.00 0.00 C ATOM 692 CE1 TYR A 39 -0.574 -13.056 -1.578 1.00 0.00 C ATOM 693 CE2 TYR A 39 0.566 -13.275 -3.670 1.00 0.00 C ATOM 694 CZ TYR A 39 0.390 -13.660 -2.357 1.00 0.00 C ATOM 695 OH TYR A 39 1.181 -14.651 -1.822 1.00 0.00 O ATOM 0 H TYR A 39 -3.849 -9.012 -4.792 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.423 -11.818 -5.141 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.595 -10.173 -4.921 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.147 -9.745 -3.314 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.121 -11.592 -1.506 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.087 -11.979 -5.230 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.709 -13.359 -0.550 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.321 -13.750 -4.278 1.00 0.00 H new ATOM 0 HH TYR A 39 1.808 -14.972 -2.503 1.00 0.00 H new ATOM 705 N LEU A 40 -4.479 -10.746 -2.191 1.00 0.00 N ATOM 706 CA LEU A 40 -5.137 -11.168 -0.960 1.00 0.00 C ATOM 707 C LEU A 40 -6.389 -11.985 -1.264 1.00 0.00 C ATOM 708 O LEU A 40 -6.690 -12.959 -0.573 1.00 0.00 O ATOM 709 CB LEU A 40 -5.503 -9.949 -0.111 1.00 0.00 C ATOM 710 CG LEU A 40 -4.510 -8.787 -0.142 1.00 0.00 C ATOM 711 CD1 LEU A 40 -4.724 -7.870 1.053 1.00 0.00 C ATOM 712 CD2 LEU A 40 -3.081 -9.307 -0.169 1.00 0.00 C ATOM 0 H LEU A 40 -4.282 -9.747 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.442 -11.796 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.474 -9.580 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.620 -10.273 0.923 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.682 -8.211 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.008 -7.049 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.737 -7.470 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.580 -8.434 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.388 -8.466 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.895 -9.907 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.934 -9.921 -1.057 1.00 0.00 H new ATOM 724 N TYR A 41 -7.113 -11.584 -2.302 1.00 0.00 N ATOM 725 CA TYR A 41 -8.333 -12.278 -2.698 1.00 0.00 C ATOM 726 C TYR A 41 -8.016 -13.668 -3.242 1.00 0.00 C ATOM 727 O TYR A 41 -8.783 -14.611 -3.052 1.00 0.00 O ATOM 728 CB TYR A 41 -9.089 -11.466 -3.750 1.00 0.00 C ATOM 729 CG TYR A 41 -10.592 -11.595 -3.650 1.00 0.00 C ATOM 730 CD1 TYR A 41 -11.249 -12.709 -4.156 1.00 0.00 C ATOM 731 CD2 TYR A 41 -11.355 -10.602 -3.047 1.00 0.00 C ATOM 732 CE1 TYR A 41 -12.622 -12.830 -4.067 1.00 0.00 C ATOM 733 CE2 TYR A 41 -12.728 -10.715 -2.952 1.00 0.00 C ATOM 734 CZ TYR A 41 -13.357 -11.831 -3.464 1.00 0.00 C ATOM 735 OH TYR A 41 -14.725 -11.949 -3.372 1.00 0.00 O ATOM 0 H TYR A 41 -6.876 -10.781 -2.885 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.962 -12.388 -1.814 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.816 -10.415 -3.651 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.771 -11.786 -4.742 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.676 -13.494 -4.627 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.866 -9.727 -2.646 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -13.117 -13.702 -4.467 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.306 -9.934 -2.480 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.092 -11.161 -2.919 1.00 0.00 H new ATOM 745 N SER A 42 -6.879 -13.785 -3.921 1.00 0.00 N ATOM 746 CA SER A 42 -6.460 -15.058 -4.497 1.00 0.00 C ATOM 747 C SER A 42 -5.788 -15.935 -3.445 1.00 0.00 C ATOM 748 O SER A 42 -5.150 -16.936 -3.771 1.00 0.00 O ATOM 749 CB SER A 42 -5.504 -14.822 -5.668 1.00 0.00 C ATOM 750 OG SER A 42 -5.216 -16.034 -6.343 1.00 0.00 O ATOM 0 H SER A 42 -6.232 -13.014 -4.086 1.00 0.00 H new ATOM 0 HA SER A 42 -7.348 -15.574 -4.861 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.946 -14.110 -6.365 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.579 -14.377 -5.302 1.00 0.00 H new ATOM 0 HG SER A 42 -5.047 -16.742 -5.687 1.00 0.00 H new ATOM 756 N VAL A 43 -5.936 -15.551 -2.181 1.00 0.00 N ATOM 757 CA VAL A 43 -5.345 -16.302 -1.080 1.00 0.00 C ATOM 758 C VAL A 43 -6.326 -17.329 -0.526 1.00 0.00 C ATOM 759 O VAL A 43 -7.535 -17.224 -0.732 1.00 0.00 O ATOM 760 CB VAL A 43 -4.898 -15.368 0.060 1.00 0.00 C ATOM 761 CG1 VAL A 43 -4.428 -16.177 1.260 1.00 0.00 C ATOM 762 CG2 VAL A 43 -3.803 -14.427 -0.421 1.00 0.00 C ATOM 0 H VAL A 43 -6.460 -14.724 -1.894 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.472 -16.817 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.752 -14.766 0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.116 -15.500 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.244 -16.805 1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.587 -16.806 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.499 -13.774 0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.945 -15.009 -0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.179 -13.823 -1.247 1.00 0.00 H new ATOM 772 N LYS A 44 -5.798 -18.323 0.180 1.00 0.00 N ATOM 773 CA LYS A 44 -6.626 -19.370 0.767 1.00 0.00 C ATOM 774 C LYS A 44 -6.379 -19.481 2.268 1.00 0.00 C ATOM 775 O LYS A 44 -7.290 -19.795 3.034 1.00 0.00 O ATOM 776 CB LYS A 44 -6.340 -20.713 0.092 1.00 0.00 C ATOM 777 CG LYS A 44 -4.928 -20.832 -0.454 1.00 0.00 C ATOM 778 CD LYS A 44 -3.957 -21.313 0.611 1.00 0.00 C ATOM 779 CE LYS A 44 -2.559 -20.757 0.384 1.00 0.00 C ATOM 780 NZ LYS A 44 -1.740 -21.652 -0.479 1.00 0.00 N ATOM 0 H LYS A 44 -4.799 -18.426 0.360 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.671 -19.105 0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.511 -21.515 0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.049 -20.858 -0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.919 -21.525 -1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.602 -19.864 -0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.315 -21.009 1.595 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.921 -22.402 0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.630 -19.772 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.061 -20.623 1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.795 -21.238 -0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.650 -22.584 -0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.202 -21.760 -1.405 1.00 0.00 H new ATOM 794 N ASP A 45 -5.144 -19.220 2.681 1.00 0.00 N ATOM 795 CA ASP A 45 -4.779 -19.289 4.091 1.00 0.00 C ATOM 796 C ASP A 45 -5.063 -17.963 4.791 1.00 0.00 C ATOM 797 O ASP A 45 -4.433 -16.946 4.498 1.00 0.00 O ATOM 798 CB ASP A 45 -3.301 -19.652 4.240 1.00 0.00 C ATOM 799 CG ASP A 45 -2.978 -20.215 5.611 1.00 0.00 C ATOM 800 OD1 ASP A 45 -3.892 -20.774 6.253 1.00 0.00 O ATOM 801 OD2 ASP A 45 -1.812 -20.097 6.040 1.00 0.00 O ATOM 0 H ASP A 45 -4.379 -18.959 2.060 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.384 -20.064 4.560 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.031 -20.383 3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.692 -18.765 4.062 1.00 0.00 H new ATOM 806 N THR A 46 -6.017 -17.981 5.717 1.00 0.00 N ATOM 807 CA THR A 46 -6.386 -16.780 6.456 1.00 0.00 C ATOM 808 C THR A 46 -5.158 -16.100 7.049 1.00 0.00 C ATOM 809 O THR A 46 -5.072 -14.872 7.085 1.00 0.00 O ATOM 810 CB THR A 46 -7.378 -17.102 7.590 1.00 0.00 C ATOM 811 OG1 THR A 46 -8.452 -17.905 7.088 1.00 0.00 O ATOM 812 CG2 THR A 46 -7.936 -15.825 8.200 1.00 0.00 C ATOM 0 H THR A 46 -6.548 -18.814 5.973 1.00 0.00 H new ATOM 0 HA THR A 46 -6.863 -16.105 5.745 1.00 0.00 H new ATOM 0 HB THR A 46 -6.844 -17.653 8.364 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.077 -18.107 7.815 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.634 -16.078 8.998 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.119 -15.229 8.607 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.455 -15.252 7.432 1.00 0.00 H new ATOM 820 N HIS A 47 -4.208 -16.905 7.514 1.00 0.00 N ATOM 821 CA HIS A 47 -2.982 -16.380 8.105 1.00 0.00 C ATOM 822 C HIS A 47 -2.130 -15.676 7.053 1.00 0.00 C ATOM 823 O HIS A 47 -1.446 -14.695 7.348 1.00 0.00 O ATOM 824 CB HIS A 47 -2.180 -17.508 8.755 1.00 0.00 C ATOM 825 CG HIS A 47 -3.001 -18.391 9.643 1.00 0.00 C ATOM 826 ND1 HIS A 47 -3.302 -18.074 10.951 1.00 0.00 N ATOM 827 CD2 HIS A 47 -3.587 -19.588 9.404 1.00 0.00 C ATOM 828 CE1 HIS A 47 -4.036 -19.037 11.478 1.00 0.00 C ATOM 829 NE2 HIS A 47 -4.224 -19.968 10.560 1.00 0.00 N ATOM 0 H HIS A 47 -4.264 -17.923 7.493 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.259 -15.654 8.869 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -1.724 -18.116 7.973 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.367 -17.076 9.338 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.559 -20.141 8.477 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.418 -19.060 12.488 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.756 -20.829 10.689 1.00 0.00 H new ATOM 838 N LEU A 48 -2.175 -16.183 5.826 1.00 0.00 N ATOM 839 CA LEU A 48 -1.407 -15.603 4.730 1.00 0.00 C ATOM 840 C LEU A 48 -1.942 -14.223 4.360 1.00 0.00 C ATOM 841 O LEU A 48 -1.186 -13.255 4.278 1.00 0.00 O ATOM 842 CB LEU A 48 -1.449 -16.523 3.509 1.00 0.00 C ATOM 843 CG LEU A 48 -0.609 -16.085 2.309 1.00 0.00 C ATOM 844 CD1 LEU A 48 -1.210 -14.849 1.658 1.00 0.00 C ATOM 845 CD2 LEU A 48 0.829 -15.821 2.732 1.00 0.00 C ATOM 0 H LEU A 48 -2.735 -16.994 5.565 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.374 -15.495 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.119 -17.515 3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.486 -16.618 3.186 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.609 -16.892 1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.598 -14.553 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.221 -15.072 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.242 -14.035 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.412 -15.510 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.848 -15.032 3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.258 -16.731 3.151 1.00 0.00 H new ATOM 857 N ARG A 49 -3.250 -14.141 4.140 1.00 0.00 N ATOM 858 CA ARG A 49 -3.887 -12.880 3.781 1.00 0.00 C ATOM 859 C ARG A 49 -3.968 -11.948 4.987 1.00 0.00 C ATOM 860 O ARG A 49 -3.947 -10.727 4.842 1.00 0.00 O ATOM 861 CB ARG A 49 -5.288 -13.132 3.222 1.00 0.00 C ATOM 862 CG ARG A 49 -5.979 -14.340 3.833 1.00 0.00 C ATOM 863 CD ARG A 49 -7.490 -14.249 3.690 1.00 0.00 C ATOM 864 NE ARG A 49 -8.054 -13.178 4.507 1.00 0.00 N ATOM 865 CZ ARG A 49 -9.354 -13.036 4.738 1.00 0.00 C ATOM 866 NH1 ARG A 49 -10.221 -13.894 4.216 1.00 0.00 N ATOM 867 NH2 ARG A 49 -9.791 -12.035 5.492 1.00 0.00 N ATOM 0 H ARG A 49 -3.889 -14.933 4.204 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.279 -12.401 3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.902 -12.248 3.392 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.220 -13.270 2.143 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.621 -15.249 3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.716 -14.416 4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.745 -14.080 2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.939 -15.199 3.978 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.414 -12.502 4.923 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.889 -14.665 3.636 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.219 -13.783 4.395 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.128 -11.373 5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.790 -11.928 5.668 1.00 0.00 H new ATOM 881 N GLN A 50 -4.063 -12.535 6.176 1.00 0.00 N ATOM 882 CA GLN A 50 -4.149 -11.758 7.406 1.00 0.00 C ATOM 883 C GLN A 50 -2.902 -10.900 7.597 1.00 0.00 C ATOM 884 O GLN A 50 -2.970 -9.800 8.146 1.00 0.00 O ATOM 885 CB GLN A 50 -4.333 -12.685 8.609 1.00 0.00 C ATOM 886 CG GLN A 50 -3.993 -12.032 9.938 1.00 0.00 C ATOM 887 CD GLN A 50 -5.039 -11.026 10.378 1.00 0.00 C ATOM 888 OE1 GLN A 50 -5.788 -10.494 9.559 1.00 0.00 O ATOM 889 NE2 GLN A 50 -5.094 -10.760 11.678 1.00 0.00 N ATOM 0 H GLN A 50 -4.082 -13.546 6.313 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.013 -11.099 7.329 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.367 -13.029 8.637 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.707 -13.567 8.476 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.892 -12.803 10.702 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.027 -11.534 9.857 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.453 -11.225 12.321 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.777 -10.091 12.033 1.00 0.00 H new ATOM 898 N LYS A 51 -1.764 -11.410 7.139 1.00 0.00 N ATOM 899 CA LYS A 51 -0.501 -10.691 7.257 1.00 0.00 C ATOM 900 C LYS A 51 -0.490 -9.459 6.358 1.00 0.00 C ATOM 901 O LYS A 51 -0.197 -8.352 6.810 1.00 0.00 O ATOM 902 CB LYS A 51 0.668 -11.609 6.896 1.00 0.00 C ATOM 903 CG LYS A 51 2.013 -11.105 7.391 1.00 0.00 C ATOM 904 CD LYS A 51 2.192 -11.363 8.878 1.00 0.00 C ATOM 905 CE LYS A 51 3.485 -10.752 9.397 1.00 0.00 C ATOM 906 NZ LYS A 51 4.684 -11.454 8.863 1.00 0.00 N ATOM 0 H LYS A 51 -1.690 -12.319 6.682 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.393 -10.365 8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.484 -12.599 7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.708 -11.723 5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.813 -11.596 6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.097 -10.036 7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.346 -10.947 9.425 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.195 -12.437 9.064 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.527 -9.699 9.118 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.495 -10.794 10.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.542 -11.052 9.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.624 -12.467 9.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.725 -11.335 7.831 1.00 0.00 H new ATOM 920 N TRP A 52 -0.812 -9.658 5.085 1.00 0.00 N ATOM 921 CA TRP A 52 -0.840 -8.563 4.123 1.00 0.00 C ATOM 922 C TRP A 52 -1.918 -7.547 4.486 1.00 0.00 C ATOM 923 O TRP A 52 -1.750 -6.348 4.268 1.00 0.00 O ATOM 924 CB TRP A 52 -1.083 -9.101 2.712 1.00 0.00 C ATOM 925 CG TRP A 52 -0.086 -10.138 2.292 1.00 0.00 C ATOM 926 CD1 TRP A 52 -0.355 -11.406 1.860 1.00 0.00 C ATOM 927 CD2 TRP A 52 1.338 -9.997 2.266 1.00 0.00 C ATOM 928 NE1 TRP A 52 0.817 -12.061 1.567 1.00 0.00 N ATOM 929 CE2 TRP A 52 1.870 -11.218 1.807 1.00 0.00 C ATOM 930 CE3 TRP A 52 2.216 -8.957 2.585 1.00 0.00 C ATOM 931 CZ2 TRP A 52 3.239 -11.425 1.661 1.00 0.00 C ATOM 932 CZ3 TRP A 52 3.574 -9.164 2.439 1.00 0.00 C ATOM 933 CH2 TRP A 52 4.075 -10.390 1.979 1.00 0.00 C ATOM 0 H TRP A 52 -1.057 -10.568 4.695 1.00 0.00 H new ATOM 0 HA TRP A 52 0.128 -8.063 4.151 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.084 -9.528 2.661 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.054 -8.272 2.005 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.343 -11.831 1.763 1.00 0.00 H new ATOM 0 HE1 TRP A 52 0.891 -13.019 1.226 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.839 -8.009 2.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.627 -12.369 1.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.262 -8.368 2.683 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.142 -10.520 1.874 1.00 0.00 H new ATOM 944 N GLN A 53 -3.023 -8.036 5.040 1.00 0.00 N ATOM 945 CA GLN A 53 -4.128 -7.169 5.432 1.00 0.00 C ATOM 946 C GLN A 53 -3.655 -6.087 6.397 1.00 0.00 C ATOM 947 O GLN A 53 -4.083 -4.937 6.312 1.00 0.00 O ATOM 948 CB GLN A 53 -5.245 -7.992 6.077 1.00 0.00 C ATOM 949 CG GLN A 53 -6.504 -7.189 6.362 1.00 0.00 C ATOM 950 CD GLN A 53 -7.479 -7.931 7.255 1.00 0.00 C ATOM 951 OE1 GLN A 53 -8.313 -8.701 6.778 1.00 0.00 O ATOM 952 NE2 GLN A 53 -7.379 -7.703 8.559 1.00 0.00 N ATOM 0 H GLN A 53 -3.177 -9.027 5.227 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.514 -6.686 4.534 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.496 -8.826 5.421 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.878 -8.420 7.010 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.230 -6.246 6.835 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.995 -6.943 5.420 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.673 -7.057 8.911 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.008 -8.174 9.209 1.00 0.00 H new ATOM 961 N GLN A 54 -2.770 -6.465 7.314 1.00 0.00 N ATOM 962 CA GLN A 54 -2.240 -5.526 8.296 1.00 0.00 C ATOM 963 C GLN A 54 -1.417 -4.436 7.618 1.00 0.00 C ATOM 964 O GLN A 54 -1.459 -3.272 8.018 1.00 0.00 O ATOM 965 CB GLN A 54 -1.382 -6.263 9.327 1.00 0.00 C ATOM 966 CG GLN A 54 -1.020 -5.414 10.535 1.00 0.00 C ATOM 967 CD GLN A 54 -0.761 -6.246 11.776 1.00 0.00 C ATOM 968 OE1 GLN A 54 -0.618 -7.467 11.700 1.00 0.00 O ATOM 969 NE2 GLN A 54 -0.700 -5.588 12.927 1.00 0.00 N ATOM 0 H GLN A 54 -2.405 -7.414 7.397 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.082 -5.057 8.804 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.917 -7.151 9.664 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.466 -6.606 8.847 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.133 -4.823 10.307 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.828 -4.711 10.736 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.824 -4.576 12.943 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.529 -6.095 13.796 1.00 0.00 H new ATOM 978 N VAL A 55 -0.668 -4.820 6.590 1.00 0.00 N ATOM 979 CA VAL A 55 0.165 -3.875 5.855 1.00 0.00 C ATOM 980 C VAL A 55 -0.683 -2.965 4.974 1.00 0.00 C ATOM 981 O VAL A 55 -0.473 -1.753 4.933 1.00 0.00 O ATOM 982 CB VAL A 55 1.200 -4.604 4.976 1.00 0.00 C ATOM 983 CG1 VAL A 55 2.218 -3.620 4.422 1.00 0.00 C ATOM 984 CG2 VAL A 55 1.888 -5.706 5.768 1.00 0.00 C ATOM 0 H VAL A 55 -0.621 -5.779 6.247 1.00 0.00 H new ATOM 0 HA VAL A 55 0.690 -3.272 6.596 1.00 0.00 H new ATOM 0 HB VAL A 55 0.679 -5.062 4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.940 -4.153 3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.708 -2.870 3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.737 -3.131 5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.616 -6.211 5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.397 -5.272 6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.145 -6.426 6.111 1.00 0.00 H new ATOM 994 N TRP A 56 -1.640 -3.558 4.270 1.00 0.00 N ATOM 995 CA TRP A 56 -2.521 -2.799 3.388 1.00 0.00 C ATOM 996 C TRP A 56 -3.157 -1.629 4.130 1.00 0.00 C ATOM 997 O TRP A 56 -3.453 -0.593 3.534 1.00 0.00 O ATOM 998 CB TRP A 56 -3.610 -3.709 2.817 1.00 0.00 C ATOM 999 CG TRP A 56 -4.413 -3.062 1.729 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -4.267 -3.245 0.383 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -5.485 -2.128 1.895 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -5.183 -2.480 -0.297 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -5.943 -1.787 0.607 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -6.104 -1.548 3.005 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -6.990 -0.891 0.403 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -7.142 -0.659 2.801 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -7.577 -0.339 1.508 1.00 0.00 C ATOM 0 H TRP A 56 -1.826 -4.561 4.292 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.921 -2.402 2.569 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.148 -4.616 2.428 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -4.279 -4.012 3.622 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.539 -3.895 -0.078 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.281 -2.435 -1.311 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -5.777 -1.790 4.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.326 -0.641 -0.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.626 -0.203 3.652 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.392 0.358 1.381 1.00 0.00 H new ATOM 1018 N GLN A 57 -3.363 -1.800 5.432 1.00 0.00 N ATOM 1019 CA GLN A 57 -3.964 -0.756 6.254 1.00 0.00 C ATOM 1020 C GLN A 57 -3.043 0.455 6.355 1.00 0.00 C ATOM 1021 O GLN A 57 -3.476 1.592 6.172 1.00 0.00 O ATOM 1022 CB GLN A 57 -4.274 -1.294 7.652 1.00 0.00 C ATOM 1023 CG GLN A 57 -5.613 -2.008 7.746 1.00 0.00 C ATOM 1024 CD GLN A 57 -6.770 -1.053 7.967 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -6.715 0.110 7.566 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -7.826 -1.541 8.608 1.00 0.00 N ATOM 0 H GLN A 57 -3.123 -2.651 5.940 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.894 -0.444 5.778 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.483 -1.982 7.951 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.262 -0.467 8.362 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.784 -2.574 6.830 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.580 -2.728 8.564 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.828 -2.511 8.923 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.635 -0.945 8.786 1.00 0.00 H new ATOM 1035 N GLU A 58 -1.771 0.203 6.647 1.00 0.00 N ATOM 1036 CA GLU A 58 -0.790 1.274 6.773 1.00 0.00 C ATOM 1037 C GLU A 58 -0.471 1.883 5.411 1.00 0.00 C ATOM 1038 O GLU A 58 -0.379 3.103 5.270 1.00 0.00 O ATOM 1039 CB GLU A 58 0.492 0.748 7.422 1.00 0.00 C ATOM 1040 CG GLU A 58 1.519 0.246 6.421 1.00 0.00 C ATOM 1041 CD GLU A 58 2.839 -0.119 7.073 1.00 0.00 C ATOM 1042 OE1 GLU A 58 2.841 -1.002 7.955 1.00 0.00 O ATOM 1043 OE2 GLU A 58 3.870 0.479 6.699 1.00 0.00 O ATOM 0 H GLU A 58 -1.396 -0.733 6.801 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.218 2.050 7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.938 1.542 8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.237 -0.062 8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.120 -0.626 5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.691 1.014 5.666 1.00 0.00 H new ATOM 1050 N ILE A 59 -0.302 1.024 4.411 1.00 0.00 N ATOM 1051 CA ILE A 59 0.007 1.477 3.060 1.00 0.00 C ATOM 1052 C ILE A 59 -1.090 2.389 2.522 1.00 0.00 C ATOM 1053 O ILE A 59 -0.817 3.343 1.795 1.00 0.00 O ATOM 1054 CB ILE A 59 0.190 0.289 2.097 1.00 0.00 C ATOM 1055 CG1 ILE A 59 1.325 -0.616 2.579 1.00 0.00 C ATOM 1056 CG2 ILE A 59 0.467 0.789 0.687 1.00 0.00 C ATOM 1057 CD1 ILE A 59 1.611 -1.775 1.649 1.00 0.00 C ATOM 0 H ILE A 59 -0.374 0.011 4.511 1.00 0.00 H new ATOM 0 HA ILE A 59 0.942 2.034 3.119 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.732 -0.293 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.231 -0.020 2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.074 -1.006 3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.594 -0.062 0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.371 1.397 0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.376 1.390 0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.427 -2.374 2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.719 -2.394 1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.894 -1.393 0.668 1.00 0.00 H new ATOM 1069 N ASN A 60 -2.333 2.090 2.886 1.00 0.00 N ATOM 1070 CA ASN A 60 -3.472 2.884 2.441 1.00 0.00 C ATOM 1071 C ASN A 60 -3.517 4.225 3.166 1.00 0.00 C ATOM 1072 O ASN A 60 -3.578 5.282 2.537 1.00 0.00 O ATOM 1073 CB ASN A 60 -4.776 2.120 2.678 1.00 0.00 C ATOM 1074 CG ASN A 60 -5.966 3.045 2.845 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -5.920 4.194 2.181 1.00 0.00 O flip ATOM 1076 ND2 ASN A 60 -6.916 2.730 3.562 1.00 0.00 N flip ATOM 0 H ASN A 60 -2.577 1.303 3.488 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.357 3.072 1.373 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.957 1.447 1.840 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.674 1.500 3.568 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.909 1.837 4.054 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.710 3.362 3.664 1.00 0.00 H new ATOM 1083 N VAL A 61 -3.486 4.175 4.494 1.00 0.00 N ATOM 1084 CA VAL A 61 -3.521 5.386 5.306 1.00 0.00 C ATOM 1085 C VAL A 61 -2.475 6.392 4.837 1.00 0.00 C ATOM 1086 O VAL A 61 -2.736 7.594 4.785 1.00 0.00 O ATOM 1087 CB VAL A 61 -3.283 5.071 6.795 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -3.286 6.350 7.618 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -4.332 4.095 7.306 1.00 0.00 C ATOM 0 H VAL A 61 -3.437 3.309 5.031 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.515 5.818 5.188 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.304 4.604 6.899 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.116 6.108 8.667 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.494 7.011 7.266 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.249 6.849 7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.149 3.883 8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.323 4.533 7.191 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.276 3.168 6.735 1.00 0.00 H new ATOM 1099 N GLU A 62 -1.291 5.892 4.497 1.00 0.00 N ATOM 1100 CA GLU A 62 -0.206 6.749 4.033 1.00 0.00 C ATOM 1101 C GLU A 62 -0.593 7.467 2.744 1.00 0.00 C ATOM 1102 O GLU A 62 -0.342 8.661 2.587 1.00 0.00 O ATOM 1103 CB GLU A 62 1.063 5.924 3.809 1.00 0.00 C ATOM 1104 CG GLU A 62 2.163 6.685 3.087 1.00 0.00 C ATOM 1105 CD GLU A 62 2.610 7.921 3.842 1.00 0.00 C ATOM 1106 OE1 GLU A 62 2.959 7.795 5.034 1.00 0.00 O ATOM 1107 OE2 GLU A 62 2.610 9.015 3.240 1.00 0.00 O ATOM 0 H GLU A 62 -1.059 4.899 4.534 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.014 7.498 4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.440 5.584 4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.811 5.033 3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.018 6.026 2.938 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.809 6.976 2.098 1.00 0.00 H new ATOM 1114 N ALA A 63 -1.207 6.730 1.824 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.630 7.296 0.549 1.00 0.00 C ATOM 1116 C ALA A 63 -2.620 8.437 0.757 1.00 0.00 C ATOM 1117 O ALA A 63 -2.671 9.380 -0.033 1.00 0.00 O ATOM 1118 CB ALA A 63 -2.244 6.216 -0.330 1.00 0.00 C ATOM 0 H ALA A 63 -1.423 5.740 1.938 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.750 7.700 0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.555 6.653 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.507 5.435 -0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.110 5.786 0.173 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.405 8.346 1.825 1.00 0.00 N ATOM 1125 CA LYS A 64 -4.393 9.372 2.138 1.00 0.00 C ATOM 1126 C LYS A 64 -3.720 10.629 2.679 1.00 0.00 C ATOM 1127 O LYS A 64 -4.125 11.746 2.360 1.00 0.00 O ATOM 1128 CB LYS A 64 -5.403 8.841 3.158 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.784 9.459 3.024 1.00 0.00 C ATOM 1130 CD LYS A 64 -7.523 8.916 1.812 1.00 0.00 C ATOM 1131 CE LYS A 64 -8.516 9.930 1.265 1.00 0.00 C ATOM 1132 NZ LYS A 64 -9.460 9.312 0.293 1.00 0.00 N ATOM 0 H LYS A 64 -3.376 7.572 2.489 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.917 9.630 1.218 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.485 7.760 3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.025 9.030 4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.363 9.257 3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.692 10.542 2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.806 8.652 1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.049 8.001 2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.079 10.369 2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.975 10.743 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.121 10.035 -0.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.925 8.916 -0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.994 8.553 0.762 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.691 10.438 3.498 1.00 0.00 N ATOM 1147 CA GLN A 65 -1.962 11.557 4.082 1.00 0.00 C ATOM 1148 C GLN A 65 -1.311 12.408 2.997 1.00 0.00 C ATOM 1149 O GLN A 65 -1.467 13.629 2.973 1.00 0.00 O ATOM 1150 CB GLN A 65 -0.898 11.048 5.056 1.00 0.00 C ATOM 1151 CG GLN A 65 -1.437 10.747 6.444 1.00 0.00 C ATOM 1152 CD GLN A 65 -0.337 10.533 7.465 1.00 0.00 C ATOM 1153 OE1 GLN A 65 0.065 9.400 7.734 1.00 0.00 O ATOM 1154 NE2 GLN A 65 0.158 11.623 8.039 1.00 0.00 N ATOM 0 H GLN A 65 -2.344 9.519 3.772 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.674 12.178 4.626 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.446 10.144 4.647 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.106 11.792 5.137 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.073 11.570 6.769 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.065 9.857 6.400 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.205 12.542 7.786 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.901 11.541 8.733 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.578 11.756 2.100 1.00 0.00 N ATOM 1164 CA VAL A 66 0.097 12.452 1.012 1.00 0.00 C ATOM 1165 C VAL A 66 -0.845 13.429 0.316 1.00 0.00 C ATOM 1166 O VAL A 66 -0.430 14.500 -0.127 1.00 0.00 O ATOM 1167 CB VAL A 66 0.652 11.462 -0.030 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.295 12.210 -1.188 1.00 0.00 C ATOM 1169 CG2 VAL A 66 1.645 10.510 0.618 1.00 0.00 C ATOM 0 H VAL A 66 -0.437 10.746 2.106 1.00 0.00 H new ATOM 0 HA VAL A 66 0.926 13.004 1.456 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.176 10.874 -0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.681 11.494 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.552 12.847 -1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.114 12.825 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.027 9.817 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.472 11.080 1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.148 9.949 1.410 1.00 0.00 H new ATOM 1179 N LYS A 67 -2.116 13.053 0.225 1.00 0.00 N ATOM 1180 CA LYS A 67 -3.119 13.896 -0.415 1.00 0.00 C ATOM 1181 C LYS A 67 -3.311 15.196 0.359 1.00 0.00 C ATOM 1182 O LYS A 67 -3.590 16.243 -0.226 1.00 0.00 O ATOM 1183 CB LYS A 67 -4.452 13.150 -0.517 1.00 0.00 C ATOM 1184 CG LYS A 67 -4.582 12.307 -1.774 1.00 0.00 C ATOM 1185 CD LYS A 67 -5.985 11.744 -1.925 1.00 0.00 C ATOM 1186 CE LYS A 67 -6.039 10.659 -2.990 1.00 0.00 C ATOM 1187 NZ LYS A 67 -6.306 11.223 -4.342 1.00 0.00 N ATOM 0 H LYS A 67 -2.476 12.170 0.586 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.767 14.139 -1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.567 12.507 0.355 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.267 13.873 -0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.336 12.913 -2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.862 11.489 -1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.319 11.336 -0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.674 12.547 -2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.094 10.115 -3.003 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.817 9.939 -2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.335 10.453 -5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.219 11.720 -4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.550 11.891 -4.595 1.00 0.00 H new ATOM 1201 N ASP A 68 -3.159 15.123 1.677 1.00 0.00 N ATOM 1202 CA ASP A 68 -3.312 16.296 2.531 1.00 0.00 C ATOM 1203 C ASP A 68 -2.064 17.171 2.481 1.00 0.00 C ATOM 1204 O ASP A 68 -2.149 18.376 2.242 1.00 0.00 O ATOM 1205 CB ASP A 68 -3.595 15.870 3.972 1.00 0.00 C ATOM 1206 CG ASP A 68 -4.078 17.021 4.832 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -5.301 17.269 4.859 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -3.232 17.675 5.478 1.00 0.00 O ATOM 0 H ASP A 68 -2.930 14.264 2.177 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.156 16.878 2.160 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.346 15.080 3.973 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.689 15.450 4.408 1.00 0.00 H new ATOM 1213 N ILE A 69 -0.908 16.558 2.710 1.00 0.00 N ATOM 1214 CA ILE A 69 0.357 17.282 2.692 1.00 0.00 C ATOM 1215 C ILE A 69 0.567 17.988 1.357 1.00 0.00 C ATOM 1216 O ILE A 69 1.041 19.123 1.311 1.00 0.00 O ATOM 1217 CB ILE A 69 1.548 16.341 2.955 1.00 0.00 C ATOM 1218 CG1 ILE A 69 1.947 15.616 1.668 1.00 0.00 C ATOM 1219 CG2 ILE A 69 1.201 15.340 4.047 1.00 0.00 C ATOM 1220 CD1 ILE A 69 3.150 14.713 1.832 1.00 0.00 C ATOM 0 H ILE A 69 -0.821 15.562 2.910 1.00 0.00 H new ATOM 0 HA ILE A 69 0.307 18.024 3.489 1.00 0.00 H new ATOM 0 HB ILE A 69 2.396 16.937 3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.102 15.023 1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.160 16.355 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.052 14.682 4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.960 15.874 4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.341 14.746 3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.376 14.232 0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.008 15.304 2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.934 13.952 2.581 1.00 0.00 H new ATOM 1232 N MET A 70 0.209 17.309 0.272 1.00 0.00 N ATOM 1233 CA MET A 70 0.355 17.873 -1.065 1.00 0.00 C ATOM 1234 C MET A 70 -0.615 19.031 -1.276 1.00 0.00 C ATOM 1235 O MET A 70 -1.735 19.018 -0.764 1.00 0.00 O ATOM 1236 CB MET A 70 0.119 16.795 -2.125 1.00 0.00 C ATOM 1237 CG MET A 70 -1.350 16.556 -2.432 1.00 0.00 C ATOM 1238 SD MET A 70 -1.597 15.550 -3.908 1.00 0.00 S ATOM 1239 CE MET A 70 -1.489 16.797 -5.189 1.00 0.00 C ATOM 0 H MET A 70 -0.184 16.368 0.292 1.00 0.00 H new ATOM 0 HA MET A 70 1.372 18.252 -1.163 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.632 17.082 -3.043 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.568 15.861 -1.788 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.820 16.065 -1.580 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.850 17.515 -2.563 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.622 16.329 -6.164 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.267 17.544 -5.036 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.511 17.277 -5.148 1.00 0.00 H new ATOM 1249 N LYS A 71 -0.178 20.033 -2.032 1.00 0.00 N ATOM 1250 CA LYS A 71 -1.008 21.199 -2.311 1.00 0.00 C ATOM 1251 C LYS A 71 -1.757 21.030 -3.629 1.00 0.00 C ATOM 1252 O LYS A 71 -1.694 19.975 -4.261 1.00 0.00 O ATOM 1253 CB LYS A 71 -0.146 22.463 -2.361 1.00 0.00 C ATOM 1254 CG LYS A 71 0.002 23.150 -1.015 1.00 0.00 C ATOM 1255 CD LYS A 71 -1.094 24.178 -0.789 1.00 0.00 C ATOM 1256 CE LYS A 71 -0.840 24.997 0.467 1.00 0.00 C ATOM 1257 NZ LYS A 71 -1.993 25.881 0.795 1.00 0.00 N ATOM 0 H LYS A 71 0.746 20.061 -2.462 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.738 21.295 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.843 22.204 -2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.584 23.164 -3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.028 22.405 -0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.976 23.637 -0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.155 24.842 -1.651 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.056 23.673 -0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.646 24.327 1.305 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.055 25.603 0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.781 26.423 1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.162 26.538 0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.842 25.301 0.951 1.00 0.00 H new ATOM 1271 N THR A 72 -2.467 22.076 -4.039 1.00 0.00 N ATOM 1272 CA THR A 72 -3.229 22.044 -5.282 1.00 0.00 C ATOM 1273 C THR A 72 -2.317 22.223 -6.490 1.00 0.00 C ATOM 1274 O THR A 72 -2.472 21.542 -7.504 1.00 0.00 O ATOM 1275 CB THR A 72 -4.314 23.137 -5.304 1.00 0.00 C ATOM 1276 OG1 THR A 72 -3.707 24.426 -5.454 1.00 0.00 O ATOM 1277 CG2 THR A 72 -5.141 23.105 -4.028 1.00 0.00 C ATOM 0 H THR A 72 -2.531 22.957 -3.528 1.00 0.00 H new ATOM 0 HA THR A 72 -3.708 21.067 -5.334 1.00 0.00 H new ATOM 0 HB THR A 72 -4.974 22.946 -6.150 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.403 25.116 -5.469 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.900 23.886 -4.067 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.625 22.133 -3.932 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.491 23.273 -3.169 1.00 0.00 H new TER 1285 THR A 72