USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 547 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 NoAdj-H: A 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 49 HIS : no HD1:sc= -3.94 X(o=-4.4,f=-4.4) USER MOD Set 1.2: A 73 SER OG : rot -147:sc= -0.46 USER MOD Set 2.1: A 64 ASN : amide:sc= -3.53! C(o=-16!,f=-16!) USER MOD Set 2.2: A 70 GLN : amide:sc= -12.4! C(o=-16!,f=-24!) USER MOD Set 3.1: A 43 HIS :FLIP no HD1:sc= -1.22! F(o=-4.6,f=-2.3!) USER MOD Set 3.2: A 48 SER OG : rot 50:sc= -1.06! USER MOD Set 4.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 38 SER OG : rot 180:sc= -1.18! USER MOD Set 5.1: A 1 ASN : amide:sc= -0.725 K(o=-2.4,f=-5) USER MOD Set 5.2: A 2 TYR OH : rot 15:sc= -1.91 USER MOD Set 5.3: A 68 SER OG : rot 119:sc= 0.285 USER MOD Single : A 1 ASN N :NH3+ -118:sc= 0.106 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 90:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -39:sc= 0.053 USER MOD Single : A 23 THR OG1 : rot -18:sc= 0.152 USER MOD Single : A 25 SER OG : rot 84:sc= -0.72 USER MOD Single : A 27 TYR OH : rot 30:sc= -0.173 USER MOD Single : A 31 THR OG1 : rot -4:sc= -2.2! USER MOD Single : A 33 SER OG : rot -150:sc= -0.437 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -79:sc= 1.1 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -172:sc= -1.58! (180deg=-1.68!) USER MOD Single : A 60 TYR OH : rot 180:sc= -1.33! USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.174 K(o=-0.17,f=-1.2!) USER MOD Single : A 65 LYS NZ :NH3+ -135:sc= -0.314 (180deg=-0.565) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 114:sc= 0.431 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 3.098 5.341 -5.748 1.00 0.00 N ATOM 2 CA ASN A 1 3.386 4.435 -4.641 1.00 0.00 C ATOM 3 C ASN A 1 4.324 3.316 -5.084 1.00 0.00 C ATOM 4 O ASN A 1 4.616 3.171 -6.272 1.00 0.00 O ATOM 5 CB ASN A 1 2.088 3.840 -4.091 1.00 0.00 C ATOM 6 CG ASN A 1 1.276 4.851 -3.307 1.00 0.00 C ATOM 7 OD1 ASN A 1 1.721 5.974 -3.072 1.00 0.00 O ATOM 8 ND2 ASN A 1 0.076 4.456 -2.897 1.00 0.00 N ATOM 0 H1 ASN A 1 3.444 6.294 -5.516 1.00 0.00 H new ATOM 0 H2 ASN A 1 3.573 5.000 -6.608 1.00 0.00 H new ATOM 0 H3 ASN A 1 2.071 5.375 -5.910 1.00 0.00 H new ATOM 0 HA ASN A 1 3.878 5.007 -3.854 1.00 0.00 H new ATOM 0 HB2 ASN A 1 1.488 3.458 -4.917 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.324 2.991 -3.449 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -0.516 5.093 -2.365 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -0.253 3.515 -3.114 1.00 0.00 H new ATOM 15 N TYR A 2 4.792 2.529 -4.123 1.00 0.00 N ATOM 16 CA TYR A 2 5.698 1.424 -4.413 1.00 0.00 C ATOM 17 C TYR A 2 4.950 0.095 -4.430 1.00 0.00 C ATOM 18 O TYR A 2 5.558 -0.975 -4.472 1.00 0.00 O ATOM 19 CB TYR A 2 6.825 1.375 -3.379 1.00 0.00 C ATOM 20 CG TYR A 2 6.727 2.456 -2.326 1.00 0.00 C ATOM 21 CD1 TYR A 2 6.330 2.156 -1.029 1.00 0.00 C ATOM 22 CD2 TYR A 2 7.030 3.777 -2.628 1.00 0.00 C ATOM 23 CE1 TYR A 2 6.239 3.140 -0.064 1.00 0.00 C ATOM 24 CE2 TYR A 2 6.944 4.768 -1.670 1.00 0.00 C ATOM 25 CZ TYR A 2 6.547 4.445 -0.389 1.00 0.00 C ATOM 26 OH TYR A 2 6.458 5.428 0.569 1.00 0.00 O ATOM 0 H TYR A 2 4.559 2.635 -3.136 1.00 0.00 H new ATOM 0 HA TYR A 2 6.127 1.591 -5.401 1.00 0.00 H new ATOM 0 HB2 TYR A 2 6.816 0.401 -2.890 1.00 0.00 H new ATOM 0 HB3 TYR A 2 7.782 1.465 -3.892 1.00 0.00 H new ATOM 0 HD1 TYR A 2 6.088 1.136 -0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 2 7.339 4.034 -3.631 1.00 0.00 H new ATOM 0 HE1 TYR A 2 5.928 2.889 0.940 1.00 0.00 H new ATOM 0 HE2 TYR A 2 7.186 5.790 -1.922 1.00 0.00 H new ATOM 0 HH TYR A 2 6.401 5.016 1.456 1.00 0.00 H new ATOM 36 N THR A 3 3.622 0.171 -4.397 1.00 0.00 N ATOM 37 CA THR A 3 2.789 -1.024 -4.407 1.00 0.00 C ATOM 38 C THR A 3 1.959 -1.104 -5.683 1.00 0.00 C ATOM 39 O THR A 3 1.887 -0.143 -6.448 1.00 0.00 O ATOM 40 CB THR A 3 1.845 -1.063 -3.191 1.00 0.00 C ATOM 41 OG1 THR A 3 1.054 0.130 -3.148 1.00 0.00 O ATOM 42 CG2 THR A 3 2.635 -1.199 -1.898 1.00 0.00 C ATOM 0 H THR A 3 3.102 1.048 -4.363 1.00 0.00 H new ATOM 0 HA THR A 3 3.463 -1.879 -4.360 1.00 0.00 H new ATOM 0 HB THR A 3 1.192 -1.929 -3.293 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.227 -0.007 -3.655 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.948 -1.224 -1.053 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.215 -2.121 -1.922 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.309 -0.349 -1.792 1.00 0.00 H new ATOM 50 N GLU A 4 1.332 -2.256 -5.905 1.00 0.00 N ATOM 51 CA GLU A 4 0.506 -2.459 -7.090 1.00 0.00 C ATOM 52 C GLU A 4 -0.832 -3.093 -6.718 1.00 0.00 C ATOM 53 O GLU A 4 -0.875 -4.184 -6.148 1.00 0.00 O ATOM 54 CB GLU A 4 1.237 -3.341 -8.103 1.00 0.00 C ATOM 55 CG GLU A 4 0.323 -3.947 -9.154 1.00 0.00 C ATOM 56 CD GLU A 4 0.885 -3.826 -10.557 1.00 0.00 C ATOM 57 OE1 GLU A 4 0.519 -4.656 -11.416 1.00 0.00 O ATOM 58 OE2 GLU A 4 1.689 -2.902 -10.797 1.00 0.00 O ATOM 0 H GLU A 4 1.380 -3.061 -5.281 1.00 0.00 H new ATOM 0 HA GLU A 4 0.314 -1.485 -7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.005 -2.749 -8.600 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.748 -4.144 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.157 -4.999 -8.923 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.649 -3.455 -9.112 1.00 0.00 H new ATOM 65 N GLU A 5 -1.920 -2.402 -7.044 1.00 0.00 N ATOM 66 CA GLU A 5 -3.258 -2.898 -6.743 1.00 0.00 C ATOM 67 C GLU A 5 -3.402 -4.360 -7.157 1.00 0.00 C ATOM 68 O GLU A 5 -2.809 -4.799 -8.143 1.00 0.00 O ATOM 69 CB GLU A 5 -4.312 -2.048 -7.455 1.00 0.00 C ATOM 70 CG GLU A 5 -5.663 -2.046 -6.760 1.00 0.00 C ATOM 71 CD GLU A 5 -6.818 -1.883 -7.729 1.00 0.00 C ATOM 72 OE1 GLU A 5 -7.051 -2.808 -8.535 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.487 -0.830 -7.682 1.00 0.00 O ATOM 0 H GLU A 5 -1.901 -1.498 -7.516 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.411 -2.827 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.950 -1.023 -7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.437 -2.417 -8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.785 -2.978 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.690 -1.238 -6.029 1.00 0.00 H new ATOM 80 N LEU A 6 -4.194 -5.108 -6.397 1.00 0.00 N ATOM 81 CA LEU A 6 -4.418 -6.520 -6.684 1.00 0.00 C ATOM 82 C LEU A 6 -5.741 -6.725 -7.414 1.00 0.00 C ATOM 83 O LEU A 6 -6.799 -6.322 -6.931 1.00 0.00 O ATOM 84 CB LEU A 6 -4.406 -7.332 -5.387 1.00 0.00 C ATOM 85 CG LEU A 6 -3.056 -7.449 -4.681 1.00 0.00 C ATOM 86 CD1 LEU A 6 -2.837 -8.868 -4.180 1.00 0.00 C ATOM 87 CD2 LEU A 6 -1.928 -7.031 -5.612 1.00 0.00 C ATOM 0 H LEU A 6 -4.692 -4.760 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.611 -6.866 -7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.118 -6.883 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.766 -8.337 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.058 -6.778 -3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.871 -8.932 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.627 -9.132 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.856 -9.559 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.974 -7.121 -5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.924 -7.676 -6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.076 -5.996 -5.921 1.00 0.00 H new ATOM 99 N LYS A 7 -5.675 -7.356 -8.582 1.00 0.00 N ATOM 100 CA LYS A 7 -6.867 -7.619 -9.378 1.00 0.00 C ATOM 101 C LYS A 7 -7.889 -8.423 -8.581 1.00 0.00 C ATOM 102 O LYS A 7 -9.070 -8.459 -8.923 1.00 0.00 O ATOM 103 CB LYS A 7 -6.496 -8.372 -10.658 1.00 0.00 C ATOM 104 CG LYS A 7 -7.190 -7.840 -11.900 1.00 0.00 C ATOM 105 CD LYS A 7 -6.875 -8.690 -13.120 1.00 0.00 C ATOM 106 CE LYS A 7 -7.851 -8.417 -14.255 1.00 0.00 C ATOM 107 NZ LYS A 7 -7.162 -7.876 -15.460 1.00 0.00 N ATOM 0 H LYS A 7 -4.807 -7.695 -8.998 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.313 -6.661 -9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.417 -8.316 -10.803 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.747 -9.426 -10.535 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.267 -7.821 -11.736 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.877 -6.812 -12.081 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.858 -8.485 -13.455 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.915 -9.745 -12.850 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.371 -9.339 -14.517 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.608 -7.708 -13.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.860 -7.703 -16.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.687 -6.983 -15.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.457 -8.563 -15.795 1.00 0.00 H new ATOM 121 N VAL A 8 -7.426 -9.068 -7.515 1.00 0.00 N ATOM 122 CA VAL A 8 -8.299 -9.870 -6.666 1.00 0.00 C ATOM 123 C VAL A 8 -7.639 -10.170 -5.325 1.00 0.00 C ATOM 124 O VAL A 8 -6.420 -10.318 -5.224 1.00 0.00 O ATOM 125 CB VAL A 8 -8.677 -11.198 -7.348 1.00 0.00 C ATOM 126 CG1 VAL A 8 -9.763 -10.972 -8.390 1.00 0.00 C ATOM 127 CG2 VAL A 8 -7.451 -11.844 -7.974 1.00 0.00 C ATOM 0 H VAL A 8 -6.450 -9.051 -7.219 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.203 -9.285 -6.499 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.069 -11.877 -6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.018 -11.921 -8.862 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.648 -10.557 -7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.402 -10.276 -9.147 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.737 -12.781 -8.451 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.026 -11.172 -8.720 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.709 -12.043 -7.200 1.00 0.00 H new ATOM 137 N PRO A 9 -8.460 -10.264 -4.269 1.00 0.00 N ATOM 138 CA PRO A 9 -7.977 -10.548 -2.914 1.00 0.00 C ATOM 139 C PRO A 9 -7.469 -11.978 -2.768 1.00 0.00 C ATOM 140 O PRO A 9 -8.236 -12.941 -2.798 1.00 0.00 O ATOM 141 CB PRO A 9 -9.218 -10.330 -2.043 1.00 0.00 C ATOM 142 CG PRO A 9 -10.369 -10.566 -2.959 1.00 0.00 C ATOM 143 CD PRO A 9 -9.922 -10.098 -4.316 1.00 0.00 C ATOM 0 HA PRO A 9 -7.131 -9.917 -2.642 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.236 -11.020 -1.199 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.240 -9.321 -1.631 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.641 -11.621 -2.980 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.250 -10.017 -2.628 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.369 -10.692 -5.113 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.203 -9.060 -4.496 1.00 0.00 H new ATOM 151 N PRO A 10 -6.145 -12.122 -2.608 1.00 0.00 N ATOM 152 CA PRO A 10 -5.505 -13.432 -2.453 1.00 0.00 C ATOM 153 C PRO A 10 -5.838 -14.086 -1.116 1.00 0.00 C ATOM 154 O PRO A 10 -6.763 -13.664 -0.421 1.00 0.00 O ATOM 155 CB PRO A 10 -4.011 -13.108 -2.533 1.00 0.00 C ATOM 156 CG PRO A 10 -3.908 -11.686 -2.098 1.00 0.00 C ATOM 157 CD PRO A 10 -5.171 -11.018 -2.563 1.00 0.00 C ATOM 0 HA PRO A 10 -5.842 -14.142 -3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.429 -13.763 -1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.631 -13.241 -3.546 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.805 -11.616 -1.015 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.031 -11.207 -2.533 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.486 -10.232 -1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.044 -10.555 -3.541 1.00 0.00 H new ATOM 165 N ASP A 11 -5.078 -15.117 -0.761 1.00 0.00 N ATOM 166 CA ASP A 11 -5.291 -15.828 0.493 1.00 0.00 C ATOM 167 C ASP A 11 -4.267 -15.402 1.540 1.00 0.00 C ATOM 168 O ASP A 11 -3.749 -16.231 2.287 1.00 0.00 O ATOM 169 CB ASP A 11 -5.212 -17.338 0.268 1.00 0.00 C ATOM 170 CG ASP A 11 -3.826 -17.789 -0.152 1.00 0.00 C ATOM 171 OD1 ASP A 11 -3.138 -17.017 -0.853 1.00 0.00 O ATOM 172 OD2 ASP A 11 -3.429 -18.911 0.222 1.00 0.00 O ATOM 0 H ASP A 11 -4.309 -15.478 -1.325 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.286 -15.576 0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.497 -17.854 1.185 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.932 -17.627 -0.497 1.00 0.00 H new ATOM 177 N GLU A 12 -3.981 -14.105 1.587 1.00 0.00 N ATOM 178 CA GLU A 12 -3.016 -13.570 2.541 1.00 0.00 C ATOM 179 C GLU A 12 -3.727 -12.941 3.737 1.00 0.00 C ATOM 180 O GLU A 12 -3.240 -13.007 4.866 1.00 0.00 O ATOM 181 CB GLU A 12 -2.116 -12.533 1.865 1.00 0.00 C ATOM 182 CG GLU A 12 -0.670 -12.591 2.326 1.00 0.00 C ATOM 183 CD GLU A 12 -0.497 -12.143 3.764 1.00 0.00 C ATOM 184 OE1 GLU A 12 -0.594 -10.925 4.021 1.00 0.00 O ATOM 185 OE2 GLU A 12 -0.266 -13.010 4.632 1.00 0.00 O ATOM 0 H GLU A 12 -4.403 -13.406 0.976 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.400 -14.395 2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.151 -12.682 0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.512 -11.537 2.062 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.300 -13.611 2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.060 -11.962 1.678 1.00 0.00 H new ATOM 192 N ASP A 13 -4.877 -12.329 3.479 1.00 0.00 N ATOM 193 CA ASP A 13 -5.655 -11.689 4.533 1.00 0.00 C ATOM 194 C ASP A 13 -4.860 -10.560 5.184 1.00 0.00 C ATOM 195 O ASP A 13 -3.691 -10.729 5.532 1.00 0.00 O ATOM 196 CB ASP A 13 -6.065 -12.715 5.589 1.00 0.00 C ATOM 197 CG ASP A 13 -7.042 -13.742 5.050 1.00 0.00 C ATOM 198 OD1 ASP A 13 -7.463 -14.626 5.825 1.00 0.00 O ATOM 199 OD2 ASP A 13 -7.386 -13.660 3.853 1.00 0.00 O ATOM 0 H ASP A 13 -5.291 -12.262 2.549 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.553 -11.266 4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.176 -13.224 5.961 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.516 -12.199 6.437 1.00 0.00 H new ATOM 204 N CYS A 14 -5.503 -9.408 5.345 1.00 0.00 N ATOM 205 CA CYS A 14 -4.857 -8.250 5.953 1.00 0.00 C ATOM 206 C CYS A 14 -3.964 -8.674 7.116 1.00 0.00 C ATOM 207 O CYS A 14 -4.134 -9.755 7.680 1.00 0.00 O ATOM 208 CB CYS A 14 -5.909 -7.252 6.441 1.00 0.00 C ATOM 209 SG CYS A 14 -5.212 -5.756 7.213 1.00 0.00 S ATOM 0 H CYS A 14 -6.471 -9.251 5.063 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.235 -7.772 5.196 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.533 -6.956 5.597 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.560 -7.749 7.160 1.00 0.00 H new ATOM 214 N ILE A 15 -3.014 -7.814 7.468 1.00 0.00 N ATOM 215 CA ILE A 15 -2.095 -8.099 8.563 1.00 0.00 C ATOM 216 C ILE A 15 -2.243 -7.075 9.684 1.00 0.00 C ATOM 217 O ILE A 15 -1.933 -7.357 10.842 1.00 0.00 O ATOM 218 CB ILE A 15 -0.632 -8.110 8.083 1.00 0.00 C ATOM 219 CG1 ILE A 15 -0.574 -8.010 6.558 1.00 0.00 C ATOM 220 CG2 ILE A 15 0.074 -9.369 8.565 1.00 0.00 C ATOM 221 CD1 ILE A 15 0.725 -8.516 5.969 1.00 0.00 C ATOM 0 H ILE A 15 -2.861 -6.915 7.011 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.351 -9.089 8.941 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.119 -7.246 8.505 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.402 -8.577 6.133 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.716 -6.970 6.264 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.107 -9.362 8.218 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.057 -9.401 9.654 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.436 -10.247 8.169 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.696 -8.415 4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.556 -7.933 6.366 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.860 -9.565 6.232 1.00 0.00 H new ATOM 233 N ILE A 16 -2.720 -5.885 9.333 1.00 0.00 N ATOM 234 CA ILE A 16 -2.910 -4.820 10.308 1.00 0.00 C ATOM 235 C ILE A 16 -4.133 -5.087 11.182 1.00 0.00 C ATOM 236 O ILE A 16 -4.010 -5.326 12.383 1.00 0.00 O ATOM 237 CB ILE A 16 -3.072 -3.451 9.624 1.00 0.00 C ATOM 238 CG1 ILE A 16 -2.242 -3.397 8.339 1.00 0.00 C ATOM 239 CG2 ILE A 16 -2.665 -2.333 10.572 1.00 0.00 C ATOM 240 CD1 ILE A 16 -1.502 -2.091 8.153 1.00 0.00 C ATOM 0 H ILE A 16 -2.982 -5.635 8.379 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.016 -4.801 10.932 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.121 -3.314 9.362 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.522 -4.215 8.346 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.899 -3.558 7.484 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.785 -1.371 10.073 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.295 -2.362 11.461 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.622 -2.463 10.862 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.935 -2.123 7.223 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.218 -1.270 8.114 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.819 -1.937 8.989 1.00 0.00 H new ATOM 252 N CYS A 17 -5.311 -5.046 10.568 1.00 0.00 N ATOM 253 CA CYS A 17 -6.556 -5.285 11.287 1.00 0.00 C ATOM 254 C CYS A 17 -6.876 -6.776 11.341 1.00 0.00 C ATOM 255 O CYS A 17 -8.008 -7.169 11.624 1.00 0.00 O ATOM 256 CB CYS A 17 -7.707 -4.529 10.621 1.00 0.00 C ATOM 257 SG CYS A 17 -8.289 -5.281 9.067 1.00 0.00 S ATOM 0 H CYS A 17 -5.429 -4.849 9.574 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.433 -4.921 12.307 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.542 -4.471 11.319 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.388 -3.506 10.420 1.00 0.00 H new ATOM 262 N MET A 18 -5.870 -7.602 11.068 1.00 0.00 N ATOM 263 CA MET A 18 -6.045 -9.050 11.086 1.00 0.00 C ATOM 264 C MET A 18 -7.434 -9.437 10.589 1.00 0.00 C ATOM 265 O MET A 18 -8.269 -9.907 11.360 1.00 0.00 O ATOM 266 CB MET A 18 -5.826 -9.594 12.499 1.00 0.00 C ATOM 267 CG MET A 18 -4.511 -9.153 13.122 1.00 0.00 C ATOM 268 SD MET A 18 -4.077 -10.119 14.582 1.00 0.00 S ATOM 269 CE MET A 18 -2.497 -10.797 14.081 1.00 0.00 C ATOM 0 H MET A 18 -4.927 -7.294 10.832 1.00 0.00 H new ATOM 0 HA MET A 18 -5.305 -9.488 10.417 1.00 0.00 H new ATOM 0 HB2 MET A 18 -6.648 -9.268 13.136 1.00 0.00 H new ATOM 0 HB3 MET A 18 -5.858 -10.683 12.469 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.715 -9.242 12.383 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.577 -8.100 13.394 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.098 -11.420 14.881 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.628 -11.400 13.182 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.801 -9.984 13.874 1.00 0.00 H new ATOM 279 N GLU A 19 -7.674 -9.235 9.298 1.00 0.00 N ATOM 280 CA GLU A 19 -8.962 -9.563 8.700 1.00 0.00 C ATOM 281 C GLU A 19 -8.780 -10.161 7.308 1.00 0.00 C ATOM 282 O GLU A 19 -7.657 -10.357 6.846 1.00 0.00 O ATOM 283 CB GLU A 19 -9.844 -8.314 8.619 1.00 0.00 C ATOM 284 CG GLU A 19 -10.353 -7.840 9.970 1.00 0.00 C ATOM 285 CD GLU A 19 -11.836 -8.097 10.158 1.00 0.00 C ATOM 286 OE1 GLU A 19 -12.466 -7.372 10.955 1.00 0.00 O ATOM 287 OE2 GLU A 19 -12.365 -9.023 9.509 1.00 0.00 O ATOM 0 H GLU A 19 -6.993 -8.846 8.646 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.450 -10.304 9.334 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.277 -7.509 8.151 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.696 -8.522 7.972 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.798 -8.344 10.761 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.157 -6.773 10.074 1.00 0.00 H new ATOM 294 N LYS A 20 -9.895 -10.449 6.645 1.00 0.00 N ATOM 295 CA LYS A 20 -9.861 -11.024 5.305 1.00 0.00 C ATOM 296 C LYS A 20 -9.488 -9.969 4.269 1.00 0.00 C ATOM 297 O LYS A 20 -9.964 -8.835 4.324 1.00 0.00 O ATOM 298 CB LYS A 20 -11.220 -11.638 4.957 1.00 0.00 C ATOM 299 CG LYS A 20 -11.394 -13.058 5.464 1.00 0.00 C ATOM 300 CD LYS A 20 -12.143 -13.921 4.463 1.00 0.00 C ATOM 301 CE LYS A 20 -11.190 -14.609 3.497 1.00 0.00 C ATOM 302 NZ LYS A 20 -11.900 -15.570 2.608 1.00 0.00 N ATOM 0 H LYS A 20 -10.833 -10.294 7.014 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.101 -11.805 5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.009 -11.013 5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.346 -11.630 3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.416 -13.496 5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.936 -13.044 6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.729 -14.671 4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.847 -13.304 3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.684 -13.859 2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.420 -15.136 4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.216 -16.018 1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.362 -16.301 3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.618 -15.063 2.052 1.00 0.00 H new ATOM 316 N LEU A 21 -8.634 -10.350 3.325 1.00 0.00 N ATOM 317 CA LEU A 21 -8.197 -9.436 2.275 1.00 0.00 C ATOM 318 C LEU A 21 -9.338 -9.132 1.308 1.00 0.00 C ATOM 319 O LEU A 21 -9.184 -8.339 0.380 1.00 0.00 O ATOM 320 CB LEU A 21 -7.013 -10.033 1.512 1.00 0.00 C ATOM 321 CG LEU A 21 -5.627 -9.548 1.939 1.00 0.00 C ATOM 322 CD1 LEU A 21 -4.560 -10.094 1.004 1.00 0.00 C ATOM 323 CD2 LEU A 21 -5.581 -8.028 1.975 1.00 0.00 C ATOM 0 H LEU A 21 -8.231 -11.285 3.265 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.885 -8.504 2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.046 -11.117 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.142 -9.814 0.452 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.426 -9.921 2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.580 -9.739 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.577 -11.184 1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.757 -9.752 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.587 -7.701 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.803 -7.634 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.319 -7.658 2.686 1.00 0.00 H new ATOM 335 N SER A 22 -10.482 -9.769 1.534 1.00 0.00 N ATOM 336 CA SER A 22 -11.649 -9.568 0.682 1.00 0.00 C ATOM 337 C SER A 22 -12.740 -8.803 1.425 1.00 0.00 C ATOM 338 O SER A 22 -13.726 -8.368 0.830 1.00 0.00 O ATOM 339 CB SER A 22 -12.194 -10.915 0.200 1.00 0.00 C ATOM 340 OG SER A 22 -13.102 -10.744 -0.874 1.00 0.00 O ATOM 0 H SER A 22 -10.626 -10.428 2.299 1.00 0.00 H new ATOM 0 HA SER A 22 -11.339 -8.979 -0.181 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.368 -11.553 -0.116 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.693 -11.425 1.024 1.00 0.00 H new ATOM 0 HG SER A 22 -13.654 -9.950 -0.713 1.00 0.00 H new ATOM 346 N THR A 23 -12.555 -8.642 2.732 1.00 0.00 N ATOM 347 CA THR A 23 -13.522 -7.931 3.558 1.00 0.00 C ATOM 348 C THR A 23 -13.116 -6.473 3.748 1.00 0.00 C ATOM 349 O THR A 23 -13.353 -5.885 4.803 1.00 0.00 O ATOM 350 CB THR A 23 -13.674 -8.593 4.940 1.00 0.00 C ATOM 351 OG1 THR A 23 -12.399 -8.676 5.587 1.00 0.00 O ATOM 352 CG2 THR A 23 -14.274 -9.984 4.811 1.00 0.00 C ATOM 0 H THR A 23 -11.744 -8.995 3.241 1.00 0.00 H new ATOM 0 HA THR A 23 -14.477 -7.975 3.035 1.00 0.00 H new ATOM 0 HB THR A 23 -14.346 -7.979 5.540 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.687 -8.563 4.923 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.372 -10.431 5.800 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.257 -9.914 4.346 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.624 -10.605 4.195 1.00 0.00 H new ATOM 360 N ALA A 24 -12.505 -5.896 2.719 1.00 0.00 N ATOM 361 CA ALA A 24 -12.069 -4.506 2.772 1.00 0.00 C ATOM 362 C ALA A 24 -11.267 -4.229 4.039 1.00 0.00 C ATOM 363 O ALA A 24 -11.081 -5.115 4.873 1.00 0.00 O ATOM 364 CB ALA A 24 -13.268 -3.573 2.690 1.00 0.00 C ATOM 0 H ALA A 24 -12.301 -6.369 1.839 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.420 -4.323 1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.927 -2.538 2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.799 -3.744 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.938 -3.768 3.527 1.00 0.00 H new ATOM 370 N SER A 25 -10.793 -2.995 4.177 1.00 0.00 N ATOM 371 CA SER A 25 -10.006 -2.604 5.341 1.00 0.00 C ATOM 372 C SER A 25 -10.877 -2.557 6.593 1.00 0.00 C ATOM 373 O SER A 25 -12.053 -2.201 6.533 1.00 0.00 O ATOM 374 CB SER A 25 -9.356 -1.239 5.107 1.00 0.00 C ATOM 375 OG SER A 25 -9.533 -0.391 6.228 1.00 0.00 O ATOM 0 H SER A 25 -10.940 -2.249 3.497 1.00 0.00 H new ATOM 0 HA SER A 25 -9.225 -3.350 5.490 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.292 -1.369 4.910 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.790 -0.773 4.222 1.00 0.00 H new ATOM 0 HG SER A 25 -8.840 -0.581 6.895 1.00 0.00 H new ATOM 381 N GLY A 26 -10.288 -2.920 7.729 1.00 0.00 N ATOM 382 CA GLY A 26 -11.023 -2.913 8.980 1.00 0.00 C ATOM 383 C GLY A 26 -10.984 -1.564 9.668 1.00 0.00 C ATOM 384 O GLY A 26 -11.927 -1.186 10.365 1.00 0.00 O ATOM 0 H GLY A 26 -9.316 -3.219 7.805 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.060 -3.191 8.790 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.607 -3.669 9.646 1.00 0.00 H new ATOM 388 N TYR A 27 -9.891 -0.834 9.474 1.00 0.00 N ATOM 389 CA TYR A 27 -9.731 0.480 10.085 1.00 0.00 C ATOM 390 C TYR A 27 -10.623 1.512 9.400 1.00 0.00 C ATOM 391 O TYR A 27 -10.893 2.579 9.950 1.00 0.00 O ATOM 392 CB TYR A 27 -8.270 0.925 10.013 1.00 0.00 C ATOM 393 CG TYR A 27 -7.348 0.121 10.901 1.00 0.00 C ATOM 394 CD1 TYR A 27 -7.835 -0.929 11.672 1.00 0.00 C ATOM 395 CD2 TYR A 27 -5.991 0.410 10.970 1.00 0.00 C ATOM 396 CE1 TYR A 27 -6.996 -1.665 12.485 1.00 0.00 C ATOM 397 CE2 TYR A 27 -5.145 -0.323 11.779 1.00 0.00 C ATOM 398 CZ TYR A 27 -5.652 -1.361 12.535 1.00 0.00 C ATOM 399 OH TYR A 27 -4.812 -2.092 13.343 1.00 0.00 O ATOM 0 H TYR A 27 -9.103 -1.130 8.898 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.030 0.405 11.131 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.926 0.848 8.982 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.205 1.976 10.293 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.886 -1.173 11.634 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.591 1.222 10.381 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.391 -2.476 13.079 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.092 -0.085 11.820 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.152 -3.007 13.425 1.00 0.00 H new ATOM 409 N SER A 28 -11.077 1.183 8.194 1.00 0.00 N ATOM 410 CA SER A 28 -11.936 2.081 7.430 1.00 0.00 C ATOM 411 C SER A 28 -12.955 2.762 8.339 1.00 0.00 C ATOM 412 O SER A 28 -13.418 3.867 8.053 1.00 0.00 O ATOM 413 CB SER A 28 -12.658 1.312 6.323 1.00 0.00 C ATOM 414 OG SER A 28 -13.055 2.178 5.274 1.00 0.00 O ATOM 0 H SER A 28 -10.864 0.302 7.726 1.00 0.00 H new ATOM 0 HA SER A 28 -11.307 2.848 6.979 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.003 0.535 5.929 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.534 0.811 6.736 1.00 0.00 H new ATOM 0 HG SER A 28 -13.513 1.661 4.579 1.00 0.00 H new ATOM 420 N ASP A 29 -13.299 2.095 9.435 1.00 0.00 N ATOM 421 CA ASP A 29 -14.262 2.635 10.387 1.00 0.00 C ATOM 422 C ASP A 29 -13.848 4.028 10.849 1.00 0.00 C ATOM 423 O ASP A 29 -14.666 4.947 10.896 1.00 0.00 O ATOM 424 CB ASP A 29 -14.397 1.703 11.593 1.00 0.00 C ATOM 425 CG ASP A 29 -15.562 0.743 11.456 1.00 0.00 C ATOM 426 OD1 ASP A 29 -16.520 0.855 12.250 1.00 0.00 O ATOM 427 OD2 ASP A 29 -15.516 -0.119 10.555 1.00 0.00 O ATOM 0 H ASP A 29 -12.925 1.180 9.686 1.00 0.00 H new ATOM 0 HA ASP A 29 -15.227 2.710 9.886 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.475 1.135 11.715 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.526 2.299 12.496 1.00 0.00 H new ATOM 432 N VAL A 30 -12.572 4.179 11.190 1.00 0.00 N ATOM 433 CA VAL A 30 -12.049 5.459 11.647 1.00 0.00 C ATOM 434 C VAL A 30 -11.104 6.067 10.617 1.00 0.00 C ATOM 435 O VAL A 30 -11.364 7.142 10.075 1.00 0.00 O ATOM 436 CB VAL A 30 -11.304 5.315 12.988 1.00 0.00 C ATOM 437 CG1 VAL A 30 -11.565 6.521 13.877 1.00 0.00 C ATOM 438 CG2 VAL A 30 -11.713 4.028 13.688 1.00 0.00 C ATOM 0 H VAL A 30 -11.881 3.429 11.158 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.906 6.119 11.784 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.234 5.268 12.786 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.031 6.401 14.819 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.218 7.425 13.376 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.634 6.603 14.074 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.177 3.942 14.633 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.786 4.043 13.879 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.469 3.176 13.054 1.00 0.00 H new ATOM 448 N THR A 31 -10.002 5.372 10.349 1.00 0.00 N ATOM 449 CA THR A 31 -9.017 5.843 9.384 1.00 0.00 C ATOM 450 C THR A 31 -9.686 6.577 8.228 1.00 0.00 C ATOM 451 O THR A 31 -9.697 7.808 8.185 1.00 0.00 O ATOM 452 CB THR A 31 -8.181 4.678 8.821 1.00 0.00 C ATOM 453 OG1 THR A 31 -8.998 3.510 8.685 1.00 0.00 O ATOM 454 CG2 THR A 31 -6.999 4.372 9.728 1.00 0.00 C ATOM 0 H THR A 31 -9.770 4.481 10.787 1.00 0.00 H new ATOM 0 HA THR A 31 -8.359 6.531 9.915 1.00 0.00 H new ATOM 0 HB THR A 31 -7.802 4.972 7.842 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.894 3.694 9.038 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.424 3.546 9.310 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.363 5.254 9.807 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.362 4.097 10.718 1.00 0.00 H new ATOM 462 N ASP A 32 -10.246 5.816 7.294 1.00 0.00 N ATOM 463 CA ASP A 32 -10.920 6.395 6.138 1.00 0.00 C ATOM 464 C ASP A 32 -9.908 6.926 5.128 1.00 0.00 C ATOM 465 O ASP A 32 -10.275 7.365 4.039 1.00 0.00 O ATOM 466 CB ASP A 32 -11.858 7.520 6.579 1.00 0.00 C ATOM 467 CG ASP A 32 -11.449 8.868 6.017 1.00 0.00 C ATOM 468 OD1 ASP A 32 -10.519 9.485 6.573 1.00 0.00 O ATOM 469 OD2 ASP A 32 -12.061 9.304 5.019 1.00 0.00 O ATOM 0 H ASP A 32 -10.246 4.796 7.315 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.506 5.610 5.659 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.874 7.289 6.258 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.871 7.572 7.668 1.00 0.00 H new ATOM 474 N SER A 33 -8.631 6.883 5.499 1.00 0.00 N ATOM 475 CA SER A 33 -7.566 7.364 4.627 1.00 0.00 C ATOM 476 C SER A 33 -7.935 8.710 4.010 1.00 0.00 C ATOM 477 O SER A 33 -8.933 9.326 4.385 1.00 0.00 O ATOM 478 CB SER A 33 -7.282 6.345 3.522 1.00 0.00 C ATOM 479 OG SER A 33 -7.777 6.795 2.274 1.00 0.00 O ATOM 0 H SER A 33 -8.310 6.520 6.397 1.00 0.00 H new ATOM 0 HA SER A 33 -6.668 7.494 5.231 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.208 6.172 3.450 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.742 5.390 3.776 1.00 0.00 H new ATOM 0 HG SER A 33 -8.027 6.024 1.724 1.00 0.00 H new ATOM 485 N LYS A 34 -7.123 9.162 3.061 1.00 0.00 N ATOM 486 CA LYS A 34 -7.362 10.433 2.389 1.00 0.00 C ATOM 487 C LYS A 34 -6.868 10.388 0.946 1.00 0.00 C ATOM 488 O LYS A 34 -6.287 11.352 0.449 1.00 0.00 O ATOM 489 CB LYS A 34 -6.667 11.569 3.142 1.00 0.00 C ATOM 490 CG LYS A 34 -7.410 12.893 3.066 1.00 0.00 C ATOM 491 CD LYS A 34 -6.644 14.003 3.766 1.00 0.00 C ATOM 492 CE LYS A 34 -7.585 15.037 4.365 1.00 0.00 C ATOM 493 NZ LYS A 34 -8.193 14.562 5.638 1.00 0.00 N ATOM 0 H LYS A 34 -6.292 8.666 2.739 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.437 10.614 2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.554 11.285 4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.663 11.701 2.738 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.570 13.162 2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.394 12.786 3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.022 13.577 4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.973 14.487 3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.039 15.963 4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.374 15.267 3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.828 15.295 6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.735 13.692 5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.442 14.366 6.330 1.00 0.00 H new ATOM 507 N ALA A 35 -7.104 9.262 0.280 1.00 0.00 N ATOM 508 CA ALA A 35 -6.686 9.093 -1.106 1.00 0.00 C ATOM 509 C ALA A 35 -7.154 7.752 -1.662 1.00 0.00 C ATOM 510 O ALA A 35 -7.632 7.671 -2.793 1.00 0.00 O ATOM 511 CB ALA A 35 -5.173 9.215 -1.220 1.00 0.00 C ATOM 0 H ALA A 35 -7.582 8.454 0.678 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.149 9.883 -1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.875 9.087 -2.261 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.860 10.199 -0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.699 8.446 -0.609 1.00 0.00 H new ATOM 517 N LEU A 36 -7.013 6.703 -0.859 1.00 0.00 N ATOM 518 CA LEU A 36 -7.421 5.364 -1.270 1.00 0.00 C ATOM 519 C LEU A 36 -8.940 5.230 -1.253 1.00 0.00 C ATOM 520 O LEU A 36 -9.662 6.224 -1.206 1.00 0.00 O ATOM 521 CB LEU A 36 -6.794 4.314 -0.352 1.00 0.00 C ATOM 522 CG LEU A 36 -5.323 4.529 0.007 1.00 0.00 C ATOM 523 CD1 LEU A 36 -5.001 3.882 1.345 1.00 0.00 C ATOM 524 CD2 LEU A 36 -4.421 3.975 -1.086 1.00 0.00 C ATOM 0 H LEU A 36 -6.619 6.754 0.081 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.071 5.200 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.371 4.277 0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.892 3.339 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.142 5.601 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.950 4.045 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.623 4.325 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.198 2.812 1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.378 4.137 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.604 2.907 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.634 4.484 -2.026 1.00 0.00 H new ATOM 536 N GLY A 37 -9.420 3.990 -1.292 1.00 0.00 N ATOM 537 CA GLY A 37 -10.850 3.747 -1.278 1.00 0.00 C ATOM 538 C GLY A 37 -11.252 2.708 -0.250 1.00 0.00 C ATOM 539 O GLY A 37 -12.434 2.399 -0.101 1.00 0.00 O ATOM 0 H GLY A 37 -8.843 3.150 -1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.372 4.681 -1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.169 3.418 -2.267 1.00 0.00 H new ATOM 543 N SER A 38 -10.267 2.168 0.458 1.00 0.00 N ATOM 544 CA SER A 38 -10.523 1.154 1.474 1.00 0.00 C ATOM 545 C SER A 38 -10.988 -0.151 0.834 1.00 0.00 C ATOM 546 O SER A 38 -11.415 -1.078 1.524 1.00 0.00 O ATOM 547 CB SER A 38 -11.576 1.650 2.468 1.00 0.00 C ATOM 548 OG SER A 38 -11.783 3.046 2.334 1.00 0.00 O ATOM 0 H SER A 38 -9.284 2.415 0.347 1.00 0.00 H new ATOM 0 HA SER A 38 -9.591 0.966 2.007 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.515 1.122 2.302 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.257 1.422 3.485 1.00 0.00 H new ATOM 0 HG SER A 38 -12.461 3.340 2.978 1.00 0.00 H new ATOM 554 N LEU A 39 -10.902 -0.216 -0.490 1.00 0.00 N ATOM 555 CA LEU A 39 -11.313 -1.407 -1.226 1.00 0.00 C ATOM 556 C LEU A 39 -10.270 -1.786 -2.273 1.00 0.00 C ATOM 557 O LEU A 39 -10.593 -2.398 -3.291 1.00 0.00 O ATOM 558 CB LEU A 39 -12.666 -1.173 -1.898 1.00 0.00 C ATOM 559 CG LEU A 39 -13.740 -0.512 -1.033 1.00 0.00 C ATOM 560 CD1 LEU A 39 -14.460 0.575 -1.815 1.00 0.00 C ATOM 561 CD2 LEU A 39 -14.729 -1.552 -0.525 1.00 0.00 C ATOM 0 H LEU A 39 -10.551 0.542 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.405 -2.230 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.508 -0.555 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.048 -2.133 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.255 -0.051 -0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.221 1.034 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.743 1.333 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.934 0.138 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.486 -1.065 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.209 -2.042 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.201 -2.295 0.073 1.00 0.00 H new ATOM 573 N ALA A 40 -9.019 -1.423 -2.014 1.00 0.00 N ATOM 574 CA ALA A 40 -7.929 -1.729 -2.932 1.00 0.00 C ATOM 575 C ALA A 40 -6.737 -2.323 -2.189 1.00 0.00 C ATOM 576 O ALA A 40 -6.048 -1.629 -1.442 1.00 0.00 O ATOM 577 CB ALA A 40 -7.509 -0.478 -3.690 1.00 0.00 C ATOM 0 H ALA A 40 -8.735 -0.916 -1.176 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.287 -2.471 -3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.694 -0.722 -4.372 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.356 -0.096 -4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.175 0.281 -2.983 1.00 0.00 H new ATOM 583 N VAL A 41 -6.498 -3.615 -2.400 1.00 0.00 N ATOM 584 CA VAL A 41 -5.389 -4.303 -1.751 1.00 0.00 C ATOM 585 C VAL A 41 -4.173 -4.373 -2.669 1.00 0.00 C ATOM 586 O VAL A 41 -4.272 -4.811 -3.815 1.00 0.00 O ATOM 587 CB VAL A 41 -5.784 -5.730 -1.329 1.00 0.00 C ATOM 588 CG1 VAL A 41 -6.661 -6.377 -2.391 1.00 0.00 C ATOM 589 CG2 VAL A 41 -4.543 -6.570 -1.068 1.00 0.00 C ATOM 0 H VAL A 41 -7.058 -4.205 -3.015 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.136 -3.727 -0.861 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.357 -5.672 -0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.930 -7.385 -2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.566 -5.785 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.115 -6.425 -3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.840 -7.576 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.942 -6.623 -1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.956 -6.114 -0.270 1.00 0.00 H new ATOM 599 N GLY A 42 -3.025 -3.939 -2.156 1.00 0.00 N ATOM 600 CA GLY A 42 -1.806 -3.962 -2.943 1.00 0.00 C ATOM 601 C GLY A 42 -0.603 -4.405 -2.135 1.00 0.00 C ATOM 602 O GLY A 42 -0.573 -4.245 -0.914 1.00 0.00 O ATOM 0 H GLY A 42 -2.918 -3.572 -1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.937 -4.634 -3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.621 -2.968 -3.349 1.00 0.00 H new ATOM 606 N HIS A 43 0.392 -4.964 -2.816 1.00 0.00 N ATOM 607 CA HIS A 43 1.604 -5.433 -2.153 1.00 0.00 C ATOM 608 C HIS A 43 2.763 -4.469 -2.394 1.00 0.00 C ATOM 609 O HIS A 43 2.789 -3.752 -3.394 1.00 0.00 O ATOM 610 CB HIS A 43 1.975 -6.830 -2.651 1.00 0.00 C ATOM 611 CG HIS A 43 2.495 -6.846 -4.056 1.00 0.00 C ATOM 612 ND1 HIS A 43 3.651 -6.374 -4.577 1.00 0.00 N flip ATOM 613 CD2 HIS A 43 1.798 -7.398 -5.110 1.00 0.00 C flip ATOM 614 CE1 HIS A 43 3.632 -6.647 -5.923 1.00 0.00 C flip ATOM 615 NE2 HIS A 43 2.503 -7.265 -6.219 1.00 0.00 N flip ATOM 0 H HIS A 43 0.383 -5.103 -3.826 1.00 0.00 H new ATOM 0 HA HIS A 43 1.409 -5.478 -1.082 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.729 -7.255 -1.988 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.098 -7.474 -2.590 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.827 -7.866 -5.040 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.413 -6.397 -6.625 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.223 -7.585 -7.146 1.00 0.00 H new ATOM 623 N LEU A 44 3.718 -4.458 -1.470 1.00 0.00 N ATOM 624 CA LEU A 44 4.879 -3.583 -1.582 1.00 0.00 C ATOM 625 C LEU A 44 5.940 -4.197 -2.489 1.00 0.00 C ATOM 626 O LEU A 44 6.476 -5.267 -2.200 1.00 0.00 O ATOM 627 CB LEU A 44 5.471 -3.310 -0.198 1.00 0.00 C ATOM 628 CG LEU A 44 5.620 -1.838 0.190 1.00 0.00 C ATOM 629 CD1 LEU A 44 5.140 -1.610 1.615 1.00 0.00 C ATOM 630 CD2 LEU A 44 7.066 -1.389 0.034 1.00 0.00 C ATOM 0 H LEU A 44 3.711 -5.045 -0.636 1.00 0.00 H new ATOM 0 HA LEU A 44 4.552 -2.642 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.843 -3.800 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.453 -3.780 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 44 5.001 -1.241 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.254 -0.557 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.090 -1.892 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.732 -2.217 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.153 -0.339 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.706 -1.991 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.376 -1.514 -1.003 1.00 0.00 H new ATOM 642 N THR A 45 6.240 -3.513 -3.589 1.00 0.00 N ATOM 643 CA THR A 45 7.237 -3.990 -4.538 1.00 0.00 C ATOM 644 C THR A 45 8.563 -4.281 -3.843 1.00 0.00 C ATOM 645 O THR A 45 9.439 -4.939 -4.404 1.00 0.00 O ATOM 646 CB THR A 45 7.476 -2.967 -5.665 1.00 0.00 C ATOM 647 OG1 THR A 45 8.050 -1.771 -5.127 1.00 0.00 O ATOM 648 CG2 THR A 45 6.174 -2.634 -6.377 1.00 0.00 C ATOM 0 H THR A 45 5.806 -2.626 -3.844 1.00 0.00 H new ATOM 0 HA THR A 45 6.846 -4.911 -4.970 1.00 0.00 H new ATOM 0 HB THR A 45 8.165 -3.408 -6.386 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.347 -1.229 -4.712 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.367 -1.910 -7.169 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.754 -3.542 -6.810 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.467 -2.211 -5.663 1.00 0.00 H new ATOM 656 N LYS A 46 8.704 -3.788 -2.618 1.00 0.00 N ATOM 657 CA LYS A 46 9.922 -3.996 -1.843 1.00 0.00 C ATOM 658 C LYS A 46 10.027 -5.444 -1.374 1.00 0.00 C ATOM 659 O LYS A 46 11.125 -5.965 -1.177 1.00 0.00 O ATOM 660 CB LYS A 46 9.952 -3.056 -0.638 1.00 0.00 C ATOM 661 CG LYS A 46 10.400 -1.644 -0.979 1.00 0.00 C ATOM 662 CD LYS A 46 11.797 -1.360 -0.452 1.00 0.00 C ATOM 663 CE LYS A 46 11.813 -1.276 1.067 1.00 0.00 C ATOM 664 NZ LYS A 46 12.997 -0.525 1.568 1.00 0.00 N ATOM 0 H LYS A 46 7.989 -3.241 -2.139 1.00 0.00 H new ATOM 0 HA LYS A 46 10.774 -3.777 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.957 -3.015 -0.194 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.621 -3.468 0.117 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.383 -1.507 -2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.697 -0.926 -0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.478 -2.145 -0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.163 -0.424 -0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.901 -0.790 1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.817 -2.282 1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.972 -0.490 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.867 -1.003 1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.980 0.443 1.188 1.00 0.00 H new ATOM 678 N CYS A 47 8.879 -6.089 -1.199 1.00 0.00 N ATOM 679 CA CYS A 47 8.841 -7.478 -0.755 1.00 0.00 C ATOM 680 C CYS A 47 7.706 -8.236 -1.435 1.00 0.00 C ATOM 681 O CYS A 47 7.885 -9.365 -1.891 1.00 0.00 O ATOM 682 CB CYS A 47 8.676 -7.544 0.765 1.00 0.00 C ATOM 683 SG CYS A 47 7.064 -6.941 1.363 1.00 0.00 S ATOM 0 H CYS A 47 7.962 -5.672 -1.358 1.00 0.00 H new ATOM 0 HA CYS A 47 9.784 -7.948 -1.032 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.810 -8.576 1.090 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.467 -6.958 1.232 1.00 0.00 H new ATOM 688 N SER A 48 6.536 -7.607 -1.499 1.00 0.00 N ATOM 689 CA SER A 48 5.370 -8.223 -2.120 1.00 0.00 C ATOM 690 C SER A 48 4.660 -9.153 -1.141 1.00 0.00 C ATOM 691 O SER A 48 4.755 -10.376 -1.246 1.00 0.00 O ATOM 692 CB SER A 48 5.783 -9.002 -3.370 1.00 0.00 C ATOM 693 OG SER A 48 4.837 -8.833 -4.413 1.00 0.00 O ATOM 0 H SER A 48 6.371 -6.671 -1.128 1.00 0.00 H new ATOM 0 HA SER A 48 4.680 -7.429 -2.406 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.763 -8.664 -3.706 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.877 -10.061 -3.128 1.00 0.00 H new ATOM 0 HG SER A 48 4.653 -7.878 -4.536 1.00 0.00 H new ATOM 699 N HIS A 49 3.948 -8.563 -0.186 1.00 0.00 N ATOM 700 CA HIS A 49 3.221 -9.336 0.815 1.00 0.00 C ATOM 701 C HIS A 49 1.718 -9.094 0.702 1.00 0.00 C ATOM 702 O HIS A 49 0.913 -9.933 1.103 1.00 0.00 O ATOM 703 CB HIS A 49 3.703 -8.975 2.220 1.00 0.00 C ATOM 704 CG HIS A 49 5.103 -9.421 2.505 1.00 0.00 C ATOM 705 ND1 HIS A 49 5.638 -9.455 3.776 1.00 0.00 N ATOM 706 CD2 HIS A 49 6.080 -9.856 1.676 1.00 0.00 C ATOM 707 CE1 HIS A 49 6.884 -9.890 3.715 1.00 0.00 C ATOM 708 NE2 HIS A 49 7.177 -10.141 2.453 1.00 0.00 N ATOM 0 H HIS A 49 3.859 -7.552 -0.084 1.00 0.00 H new ATOM 0 HA HIS A 49 3.416 -10.393 0.633 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.641 -7.895 2.350 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.031 -9.423 2.952 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.011 -9.960 0.603 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.550 -10.018 4.556 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.072 -10.490 2.110 1.00 0.00 H new ATOM 716 N ALA A 50 1.350 -7.941 0.154 1.00 0.00 N ATOM 717 CA ALA A 50 -0.055 -7.589 -0.013 1.00 0.00 C ATOM 718 C ALA A 50 -0.689 -7.211 1.322 1.00 0.00 C ATOM 719 O ALA A 50 -0.447 -7.859 2.341 1.00 0.00 O ATOM 720 CB ALA A 50 -0.816 -8.740 -0.653 1.00 0.00 C ATOM 0 H ALA A 50 2.005 -7.235 -0.182 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.110 -6.722 -0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.863 -8.463 -0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.387 -8.961 -1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.744 -9.622 -0.017 1.00 0.00 H new ATOM 726 N PHE A 51 -1.500 -6.158 1.310 1.00 0.00 N ATOM 727 CA PHE A 51 -2.167 -5.693 2.520 1.00 0.00 C ATOM 728 C PHE A 51 -3.167 -4.586 2.200 1.00 0.00 C ATOM 729 O PHE A 51 -3.075 -3.934 1.158 1.00 0.00 O ATOM 730 CB PHE A 51 -1.137 -5.188 3.534 1.00 0.00 C ATOM 731 CG PHE A 51 0.282 -5.322 3.062 1.00 0.00 C ATOM 732 CD1 PHE A 51 1.216 -6.011 3.819 1.00 0.00 C ATOM 733 CD2 PHE A 51 0.684 -4.757 1.862 1.00 0.00 C ATOM 734 CE1 PHE A 51 2.523 -6.137 3.389 1.00 0.00 C ATOM 735 CE2 PHE A 51 1.990 -4.879 1.426 1.00 0.00 C ATOM 736 CZ PHE A 51 2.912 -5.569 2.191 1.00 0.00 C ATOM 0 H PHE A 51 -1.711 -5.611 0.475 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.709 -6.534 2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.341 -4.140 3.756 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.255 -5.740 4.466 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.918 -6.455 4.757 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.031 -4.215 1.261 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.240 -6.679 3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.290 -4.435 0.488 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.933 -5.664 1.853 1.00 0.00 H new ATOM 746 N HIS A 52 -4.122 -4.380 3.100 1.00 0.00 N ATOM 747 CA HIS A 52 -5.140 -3.352 2.914 1.00 0.00 C ATOM 748 C HIS A 52 -4.502 -1.971 2.801 1.00 0.00 C ATOM 749 O HIS A 52 -4.163 -1.347 3.808 1.00 0.00 O ATOM 750 CB HIS A 52 -6.136 -3.374 4.074 1.00 0.00 C ATOM 751 CG HIS A 52 -7.102 -4.517 4.013 1.00 0.00 C ATOM 752 ND1 HIS A 52 -7.721 -5.040 5.129 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.556 -5.237 2.961 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.513 -6.033 4.766 1.00 0.00 C ATOM 755 NE2 HIS A 52 -8.430 -6.173 3.455 1.00 0.00 N ATOM 0 H HIS A 52 -4.213 -4.911 3.966 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.671 -3.565 1.986 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.586 -3.424 5.014 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.694 -2.438 4.081 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.282 -5.101 1.925 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.124 -6.629 5.428 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -8.934 -6.865 2.900 1.00 0.00 H new ATOM 763 N LEU A 53 -4.342 -1.498 1.570 1.00 0.00 N ATOM 764 CA LEU A 53 -3.744 -0.189 1.325 1.00 0.00 C ATOM 765 C LEU A 53 -4.155 0.808 2.404 1.00 0.00 C ATOM 766 O LEU A 53 -3.328 1.567 2.909 1.00 0.00 O ATOM 767 CB LEU A 53 -4.158 0.332 -0.052 1.00 0.00 C ATOM 768 CG LEU A 53 -3.375 -0.223 -1.243 1.00 0.00 C ATOM 769 CD1 LEU A 53 -4.026 0.196 -2.552 1.00 0.00 C ATOM 770 CD2 LEU A 53 -1.927 0.240 -1.193 1.00 0.00 C ATOM 0 H LEU A 53 -4.618 -2.000 0.726 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.660 -0.300 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.214 0.108 -0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.060 1.418 -0.052 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.389 -1.311 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.455 -0.208 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.046 -0.187 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.044 1.284 -2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.386 -0.165 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.892 1.329 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.464 -0.112 -0.271 1.00 0.00 H new ATOM 782 N LEU A 54 -5.437 0.798 2.753 1.00 0.00 N ATOM 783 CA LEU A 54 -5.958 1.701 3.773 1.00 0.00 C ATOM 784 C LEU A 54 -5.260 1.472 5.111 1.00 0.00 C ATOM 785 O LEU A 54 -4.524 2.334 5.594 1.00 0.00 O ATOM 786 CB LEU A 54 -7.467 1.504 3.934 1.00 0.00 C ATOM 787 CG LEU A 54 -8.079 2.034 5.231 1.00 0.00 C ATOM 788 CD1 LEU A 54 -7.301 3.239 5.734 1.00 0.00 C ATOM 789 CD2 LEU A 54 -9.544 2.391 5.022 1.00 0.00 C ATOM 0 H LEU A 54 -6.134 0.175 2.345 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.763 2.724 3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.968 1.988 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.684 0.438 3.863 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.021 1.250 5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.751 3.603 6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.267 2.951 5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.327 4.028 4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.964 2.766 5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.625 3.159 4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.094 1.504 4.708 1.00 0.00 H new ATOM 801 N CYS A 55 -5.493 0.306 5.703 1.00 0.00 N ATOM 802 CA CYS A 55 -4.885 -0.038 6.982 1.00 0.00 C ATOM 803 C CYS A 55 -3.412 0.355 7.008 1.00 0.00 C ATOM 804 O CYS A 55 -2.902 0.833 8.023 1.00 0.00 O ATOM 805 CB CYS A 55 -5.030 -1.537 7.253 1.00 0.00 C ATOM 806 SG CYS A 55 -6.743 -2.075 7.558 1.00 0.00 S ATOM 0 H CYS A 55 -6.099 -0.418 5.317 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.404 0.517 7.763 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.633 -2.089 6.401 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.419 -1.800 8.116 1.00 0.00 H new ATOM 811 N LEU A 56 -2.732 0.152 5.884 1.00 0.00 N ATOM 812 CA LEU A 56 -1.316 0.484 5.777 1.00 0.00 C ATOM 813 C LEU A 56 -1.107 1.995 5.821 1.00 0.00 C ATOM 814 O LEU A 56 -0.382 2.507 6.675 1.00 0.00 O ATOM 815 CB LEU A 56 -0.735 -0.085 4.480 1.00 0.00 C ATOM 816 CG LEU A 56 -1.062 -1.549 4.185 1.00 0.00 C ATOM 817 CD1 LEU A 56 -0.883 -1.847 2.704 1.00 0.00 C ATOM 818 CD2 LEU A 56 -0.190 -2.470 5.026 1.00 0.00 C ATOM 0 H LEU A 56 -3.139 -0.241 5.035 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.798 0.039 6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.093 0.521 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.349 0.025 4.512 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.104 -1.729 4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.120 -2.893 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.550 -1.211 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.149 -1.650 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.436 -3.508 4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.860 -2.288 4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.368 -2.274 6.083 1.00 0.00 H new ATOM 830 N LEU A 57 -1.746 2.704 4.897 1.00 0.00 N ATOM 831 CA LEU A 57 -1.632 4.156 4.831 1.00 0.00 C ATOM 832 C LEU A 57 -1.587 4.762 6.231 1.00 0.00 C ATOM 833 O LEU A 57 -1.000 5.823 6.439 1.00 0.00 O ATOM 834 CB LEU A 57 -2.806 4.744 4.046 1.00 0.00 C ATOM 835 CG LEU A 57 -2.462 5.863 3.062 1.00 0.00 C ATOM 836 CD1 LEU A 57 -1.475 6.837 3.685 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.900 5.284 1.772 1.00 0.00 C ATOM 0 H LEU A 57 -2.349 2.296 4.183 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.702 4.401 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.288 3.937 3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.538 5.125 4.758 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.377 6.406 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.242 7.626 2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.914 7.277 4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.560 6.307 3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.661 6.094 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.996 4.716 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.640 4.627 1.316 1.00 0.00 H new ATOM 849 N ALA A 58 -2.210 4.080 7.185 1.00 0.00 N ATOM 850 CA ALA A 58 -2.237 4.548 8.565 1.00 0.00 C ATOM 851 C ALA A 58 -1.005 4.074 9.331 1.00 0.00 C ATOM 852 O ALA A 58 -0.220 4.883 9.824 1.00 0.00 O ATOM 853 CB ALA A 58 -3.506 4.076 9.259 1.00 0.00 C ATOM 0 H ALA A 58 -2.703 3.201 7.028 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.227 5.638 8.552 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.512 4.433 10.289 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.376 4.470 8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.540 2.987 9.253 1.00 0.00 H new ATOM 859 N MET A 59 -0.845 2.759 9.427 1.00 0.00 N ATOM 860 CA MET A 59 0.291 2.177 10.132 1.00 0.00 C ATOM 861 C MET A 59 1.604 2.553 9.451 1.00 0.00 C ATOM 862 O MET A 59 2.685 2.290 9.979 1.00 0.00 O ATOM 863 CB MET A 59 0.155 0.655 10.196 1.00 0.00 C ATOM 864 CG MET A 59 1.106 0.000 11.185 1.00 0.00 C ATOM 865 SD MET A 59 1.972 -1.416 10.482 1.00 0.00 S ATOM 866 CE MET A 59 2.782 -0.655 9.078 1.00 0.00 C ATOM 0 H MET A 59 -1.487 2.076 9.026 1.00 0.00 H new ATOM 0 HA MET A 59 0.300 2.576 11.146 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.870 0.401 10.468 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.334 0.241 9.204 1.00 0.00 H new ATOM 0 HG2 MET A 59 1.836 0.736 11.523 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.546 -0.321 12.063 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.242 -1.427 8.461 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.048 -0.107 8.487 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.550 0.033 9.430 1.00 0.00 H new ATOM 876 N TYR A 60 1.502 3.167 8.278 1.00 0.00 N ATOM 877 CA TYR A 60 2.682 3.577 7.525 1.00 0.00 C ATOM 878 C TYR A 60 3.275 4.861 8.097 1.00 0.00 C ATOM 879 O TYR A 60 4.494 5.024 8.151 1.00 0.00 O ATOM 880 CB TYR A 60 2.325 3.779 6.050 1.00 0.00 C ATOM 881 CG TYR A 60 2.862 5.067 5.469 1.00 0.00 C ATOM 882 CD1 TYR A 60 3.952 5.063 4.607 1.00 0.00 C ATOM 883 CD2 TYR A 60 2.279 6.289 5.782 1.00 0.00 C ATOM 884 CE1 TYR A 60 4.445 6.238 4.074 1.00 0.00 C ATOM 885 CE2 TYR A 60 2.765 7.469 5.253 1.00 0.00 C ATOM 886 CZ TYR A 60 3.849 7.438 4.400 1.00 0.00 C ATOM 887 OH TYR A 60 4.337 8.611 3.871 1.00 0.00 O ATOM 0 H TYR A 60 0.615 3.392 7.828 1.00 0.00 H new ATOM 0 HA TYR A 60 3.428 2.787 7.607 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.713 2.940 5.473 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.240 3.766 5.942 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.422 4.125 4.349 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.431 6.317 6.450 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.293 6.217 3.405 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.299 8.410 5.506 1.00 0.00 H new ATOM 0 HH TYR A 60 3.804 9.365 4.200 1.00 0.00 H new ATOM 897 N CYS A 61 2.403 5.769 8.521 1.00 0.00 N ATOM 898 CA CYS A 61 2.839 7.040 9.090 1.00 0.00 C ATOM 899 C CYS A 61 4.124 6.864 9.892 1.00 0.00 C ATOM 900 O CYS A 61 4.954 7.771 9.962 1.00 0.00 O ATOM 901 CB CYS A 61 1.743 7.627 9.981 1.00 0.00 C ATOM 902 SG CYS A 61 0.300 8.231 9.075 1.00 0.00 S ATOM 0 H CYS A 61 1.391 5.649 8.482 1.00 0.00 H new ATOM 0 HA CYS A 61 3.036 7.729 8.269 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.420 6.866 10.691 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.163 8.448 10.563 1.00 0.00 H new ATOM 0 HG CYS A 61 -0.572 8.706 9.914 1.00 0.00 H new ATOM 908 N ASN A 62 4.282 5.692 10.497 1.00 0.00 N ATOM 909 CA ASN A 62 5.466 5.398 11.297 1.00 0.00 C ATOM 910 C ASN A 62 6.491 4.613 10.484 1.00 0.00 C ATOM 911 O ASN A 62 7.535 5.142 10.106 1.00 0.00 O ATOM 912 CB ASN A 62 5.078 4.608 12.549 1.00 0.00 C ATOM 913 CG ASN A 62 5.188 5.436 13.814 1.00 0.00 C ATOM 914 OD1 ASN A 62 6.043 6.317 13.920 1.00 0.00 O ATOM 915 ND2 ASN A 62 4.322 5.158 14.781 1.00 0.00 N ATOM 0 H ASN A 62 3.606 4.930 10.449 1.00 0.00 H new ATOM 0 HA ASN A 62 5.915 6.345 11.597 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.056 4.245 12.444 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.720 3.731 12.635 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.348 5.683 15.655 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.631 4.420 14.650 1.00 0.00 H new ATOM 922 N GLY A 63 6.184 3.347 10.218 1.00 0.00 N ATOM 923 CA GLY A 63 7.087 2.510 9.451 1.00 0.00 C ATOM 924 C GLY A 63 7.343 3.055 8.060 1.00 0.00 C ATOM 925 O GLY A 63 6.470 3.682 7.462 1.00 0.00 O ATOM 0 H GLY A 63 5.326 2.886 10.520 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.034 2.421 9.983 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.669 1.506 9.373 1.00 0.00 H new ATOM 929 N ASN A 64 8.543 2.816 7.543 1.00 0.00 N ATOM 930 CA ASN A 64 8.911 3.289 6.214 1.00 0.00 C ATOM 931 C ASN A 64 8.757 4.803 6.114 1.00 0.00 C ATOM 932 O ASN A 64 9.733 5.546 6.216 1.00 0.00 O ATOM 933 CB ASN A 64 8.050 2.606 5.150 1.00 0.00 C ATOM 934 CG ASN A 64 8.841 1.625 4.306 1.00 0.00 C ATOM 935 OD1 ASN A 64 10.073 1.639 4.311 1.00 0.00 O ATOM 936 ND2 ASN A 64 8.136 0.769 3.577 1.00 0.00 N ATOM 0 H ASN A 64 9.278 2.297 8.024 1.00 0.00 H new ATOM 0 HA ASN A 64 9.957 3.036 6.042 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.226 2.082 5.635 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.608 3.364 4.503 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.613 0.086 2.989 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.117 0.794 3.605 1.00 0.00 H new ATOM 943 N LYS A 65 7.525 5.255 5.914 1.00 0.00 N ATOM 944 CA LYS A 65 7.240 6.681 5.802 1.00 0.00 C ATOM 945 C LYS A 65 7.849 7.259 4.529 1.00 0.00 C ATOM 946 O LYS A 65 9.059 7.177 4.316 1.00 0.00 O ATOM 947 CB LYS A 65 7.781 7.428 7.023 1.00 0.00 C ATOM 948 CG LYS A 65 6.705 7.831 8.016 1.00 0.00 C ATOM 949 CD LYS A 65 5.744 8.844 7.416 1.00 0.00 C ATOM 950 CE LYS A 65 6.487 9.957 6.694 1.00 0.00 C ATOM 951 NZ LYS A 65 7.523 10.585 7.561 1.00 0.00 N ATOM 0 H LYS A 65 6.706 4.654 5.826 1.00 0.00 H new ATOM 0 HA LYS A 65 6.158 6.807 5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.513 6.798 7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.307 8.322 6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.152 6.947 8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.170 8.253 8.907 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.073 8.342 6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.124 9.271 8.205 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.958 9.556 5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.776 10.717 6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.468 11.620 7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.359 10.312 8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.466 10.262 7.265 1.00 0.00 H new ATOM 965 N ASP A 66 7.004 7.845 3.687 1.00 0.00 N ATOM 966 CA ASP A 66 7.461 8.439 2.436 1.00 0.00 C ATOM 967 C ASP A 66 6.296 9.064 1.675 1.00 0.00 C ATOM 968 O ASP A 66 6.381 10.201 1.213 1.00 0.00 O ATOM 969 CB ASP A 66 8.148 7.384 1.566 1.00 0.00 C ATOM 970 CG ASP A 66 9.613 7.693 1.333 1.00 0.00 C ATOM 971 OD1 ASP A 66 10.467 7.019 1.948 1.00 0.00 O ATOM 972 OD2 ASP A 66 9.907 8.606 0.534 1.00 0.00 O ATOM 0 H ASP A 66 6.000 7.921 3.848 1.00 0.00 H new ATOM 0 HA ASP A 66 8.179 9.224 2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.057 6.408 2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.636 7.319 0.606 1.00 0.00 H new ATOM 977 N GLY A 67 5.207 8.312 1.547 1.00 0.00 N ATOM 978 CA GLY A 67 4.041 8.808 0.839 1.00 0.00 C ATOM 979 C GLY A 67 3.318 7.717 0.076 1.00 0.00 C ATOM 980 O GLY A 67 2.946 7.902 -1.082 1.00 0.00 O ATOM 0 H GLY A 67 5.111 7.368 1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.354 9.265 1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.347 9.591 0.145 1.00 0.00 H new ATOM 984 N SER A 68 3.120 6.574 0.726 1.00 0.00 N ATOM 985 CA SER A 68 2.442 5.446 0.098 1.00 0.00 C ATOM 986 C SER A 68 1.880 4.495 1.151 1.00 0.00 C ATOM 987 O SER A 68 0.670 4.438 1.372 1.00 0.00 O ATOM 988 CB SER A 68 3.403 4.694 -0.824 1.00 0.00 C ATOM 989 OG SER A 68 4.072 5.585 -1.699 1.00 0.00 O ATOM 0 H SER A 68 3.419 6.405 1.686 1.00 0.00 H new ATOM 0 HA SER A 68 1.614 5.836 -0.494 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.134 4.149 -0.226 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.851 3.955 -1.405 1.00 0.00 H new ATOM 0 HG SER A 68 5.038 5.533 -1.543 1.00 0.00 H new ATOM 995 N LEU A 69 2.769 3.749 1.798 1.00 0.00 N ATOM 996 CA LEU A 69 2.365 2.799 2.829 1.00 0.00 C ATOM 997 C LEU A 69 3.573 2.051 3.385 1.00 0.00 C ATOM 998 O LEU A 69 4.715 2.370 3.057 1.00 0.00 O ATOM 999 CB LEU A 69 1.351 1.804 2.263 1.00 0.00 C ATOM 1000 CG LEU A 69 1.796 1.022 1.026 1.00 0.00 C ATOM 1001 CD1 LEU A 69 1.936 1.952 -0.169 1.00 0.00 C ATOM 1002 CD2 LEU A 69 3.105 0.296 1.296 1.00 0.00 C ATOM 0 H LEU A 69 3.774 3.784 1.627 1.00 0.00 H new ATOM 0 HA LEU A 69 1.902 3.358 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.096 1.091 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.438 2.347 2.016 1.00 0.00 H new ATOM 0 HG LEU A 69 1.033 0.278 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.253 1.379 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.976 2.426 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.679 2.719 0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.406 -0.255 0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.877 1.021 1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.971 -0.399 2.125 1.00 0.00 H new ATOM 1014 N GLN A 70 3.311 1.057 4.226 1.00 0.00 N ATOM 1015 CA GLN A 70 4.376 0.264 4.826 1.00 0.00 C ATOM 1016 C GLN A 70 3.939 -1.185 5.013 1.00 0.00 C ATOM 1017 O GLN A 70 2.745 -1.478 5.089 1.00 0.00 O ATOM 1018 CB GLN A 70 4.790 0.862 6.172 1.00 0.00 C ATOM 1019 CG GLN A 70 5.710 -0.039 6.981 1.00 0.00 C ATOM 1020 CD GLN A 70 7.095 -0.154 6.375 1.00 0.00 C ATOM 1021 OE1 GLN A 70 7.270 -0.736 5.305 1.00 0.00 O ATOM 1022 NE2 GLN A 70 8.089 0.401 7.059 1.00 0.00 N ATOM 0 H GLN A 70 2.370 0.782 4.507 1.00 0.00 H new ATOM 0 HA GLN A 70 5.231 0.281 4.150 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.289 1.815 5.998 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.895 1.073 6.757 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.793 0.350 7.996 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.267 -1.032 7.055 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.898 0.874 7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.043 0.354 6.701 1.00 0.00 H new ATOM 1031 N CYS A 71 4.911 -2.087 5.087 1.00 0.00 N ATOM 1032 CA CYS A 71 4.627 -3.506 5.264 1.00 0.00 C ATOM 1033 C CYS A 71 4.554 -3.866 6.746 1.00 0.00 C ATOM 1034 O CYS A 71 5.559 -3.883 7.456 1.00 0.00 O ATOM 1035 CB CYS A 71 5.699 -4.352 4.575 1.00 0.00 C ATOM 1036 SG CYS A 71 5.594 -6.133 4.948 1.00 0.00 S ATOM 0 H CYS A 71 5.904 -1.860 5.027 1.00 0.00 H new ATOM 0 HA CYS A 71 3.659 -3.717 4.809 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.620 -4.212 3.497 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.682 -3.987 4.872 1.00 0.00 H new ATOM 1041 N PRO A 72 3.336 -4.159 7.223 1.00 0.00 N ATOM 1042 CA PRO A 72 3.102 -4.524 8.624 1.00 0.00 C ATOM 1043 C PRO A 72 3.675 -5.894 8.970 1.00 0.00 C ATOM 1044 O PRO A 72 3.581 -6.347 10.110 1.00 0.00 O ATOM 1045 CB PRO A 72 1.575 -4.539 8.737 1.00 0.00 C ATOM 1046 CG PRO A 72 1.096 -4.810 7.353 1.00 0.00 C ATOM 1047 CD PRO A 72 2.092 -4.158 6.434 1.00 0.00 C ATOM 0 HA PRO A 72 3.587 -3.831 9.312 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.237 -5.309 9.431 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.196 -3.587 9.108 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.035 -5.882 7.164 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.097 -4.401 7.199 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.206 -4.715 5.504 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.788 -3.147 6.164 1.00 0.00 H new ATOM 1055 N SER A 73 4.270 -6.549 7.978 1.00 0.00 N ATOM 1056 CA SER A 73 4.856 -7.869 8.176 1.00 0.00 C ATOM 1057 C SER A 73 6.364 -7.768 8.388 1.00 0.00 C ATOM 1058 O SER A 73 6.840 -7.687 9.520 1.00 0.00 O ATOM 1059 CB SER A 73 4.556 -8.769 6.976 1.00 0.00 C ATOM 1060 OG SER A 73 5.606 -9.696 6.760 1.00 0.00 O ATOM 0 H SER A 73 4.359 -6.187 7.029 1.00 0.00 H new ATOM 0 HA SER A 73 4.410 -8.307 9.069 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.622 -9.305 7.144 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.417 -8.158 6.084 1.00 0.00 H new ATOM 0 HG SER A 73 5.688 -9.880 5.801 1.00 0.00 H new ATOM 1066 N CYS A 74 7.110 -7.775 7.288 1.00 0.00 N ATOM 1067 CA CYS A 74 8.564 -7.684 7.350 1.00 0.00 C ATOM 1068 C CYS A 74 9.019 -6.228 7.351 1.00 0.00 C ATOM 1069 O CYS A 74 10.078 -5.897 6.818 1.00 0.00 O ATOM 1070 CB CYS A 74 9.192 -8.426 6.169 1.00 0.00 C ATOM 1071 SG CYS A 74 9.060 -7.543 4.581 1.00 0.00 S ATOM 0 H CYS A 74 6.732 -7.843 6.343 1.00 0.00 H new ATOM 0 HA CYS A 74 8.893 -8.149 8.279 1.00 0.00 H new ATOM 0 HB2 CYS A 74 10.245 -8.607 6.386 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.715 -9.401 6.071 1.00 0.00 H new ATOM 1076 N LYS A 75 8.211 -5.361 7.953 1.00 0.00 N ATOM 1077 CA LYS A 75 8.530 -3.941 8.026 1.00 0.00 C ATOM 1078 C LYS A 75 9.264 -3.483 6.770 1.00 0.00 C ATOM 1079 O LYS A 75 10.122 -2.602 6.826 1.00 0.00 O ATOM 1080 CB LYS A 75 9.383 -3.651 9.263 1.00 0.00 C ATOM 1081 CG LYS A 75 8.734 -4.089 10.565 1.00 0.00 C ATOM 1082 CD LYS A 75 8.342 -2.896 11.421 1.00 0.00 C ATOM 1083 CE LYS A 75 9.371 -2.628 12.509 1.00 0.00 C ATOM 1084 NZ LYS A 75 10.292 -1.518 12.140 1.00 0.00 N ATOM 0 H LYS A 75 7.330 -5.618 8.398 1.00 0.00 H new ATOM 0 HA LYS A 75 7.594 -3.388 8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.344 -4.155 9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.588 -2.581 9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.850 -4.689 10.348 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.423 -4.726 11.120 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.239 -2.013 10.791 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.368 -3.078 11.876 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.860 -2.381 13.440 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.949 -3.534 12.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.978 -1.366 12.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.799 -1.764 11.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.743 -0.647 11.989 1.00 0.00 H new ATOM 1098 N THR A 76 8.920 -4.085 5.636 1.00 0.00 N ATOM 1099 CA THR A 76 9.547 -3.739 4.366 1.00 0.00 C ATOM 1100 C THR A 76 9.233 -2.300 3.973 1.00 0.00 C ATOM 1101 O THR A 76 10.138 -1.467 3.971 1.00 0.00 O ATOM 1102 CB THR A 76 9.085 -4.681 3.237 1.00 0.00 C ATOM 1103 OG1 THR A 76 10.155 -5.553 2.859 1.00 0.00 O ATOM 1104 CG2 THR A 76 8.620 -3.886 2.027 1.00 0.00 C ATOM 0 H THR A 76 8.210 -4.815 5.571 1.00 0.00 H new ATOM 0 HA THR A 76 10.623 -3.849 4.503 1.00 0.00 H new ATOM 0 HB THR A 76 8.248 -5.273 3.606 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.926 -6.475 3.099 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.299 -4.572 1.243 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.786 -3.244 2.312 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.441 -3.272 1.658 1.00 0.00 H new TER 1112 THR A 76 HETATM 1113 ZN ZN A 201 -7.124 -4.356 7.274 1.00 0.00 ZN HETATM 1114 ZN ZN A 202 6.934 -7.508 3.638 1.00 0.00 ZN