USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 723 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 42 HIS HE2 : A 42 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 76 HIS HE2 : A 76 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 62 TYR OH : rot -109:sc= 1.18 USER MOD Set 1.2: A 82 GLN :FLIP amide:sc= -1.64 F(o=-6.9!,f=-0.46) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0892 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 23:sc= 1.23 USER MOD Single : A 8 SER OG : rot 39:sc= 0.487 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0163 USER MOD Single : A 12 GLN : amide:sc= -0.0363 K(o=-0.036,f=-0.76) USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= -0.0185 (180deg=-0.265) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.74) USER MOD Single : A 30 ASN : amide:sc= -0.454 K(o=-0.45,f=-1.8) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -48:sc= 0.919 USER MOD Single : A 48 MET CE :methyl -120:sc= -0.476 (180deg=-3.04!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.4) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc=0.000415 USER MOD Single : A 60 MET CE :methyl -145:sc= -0.381 (180deg=-2.3!) USER MOD Single : A 64 LYS NZ :NH3+ -111:sc= -0.917 (180deg=-2.94!) USER MOD Single : A 68 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 73 LYS NZ :NH3+ -153:sc= -0.0425 (180deg=-0.66) USER MOD Single : A 74 TYR OH : rot 180:sc= 0.0209 USER MOD Single : A 80 HIS :FLIP no HE2:sc= -13.4! C(o=-16!,f=-13!) USER MOD Single : A 84 LYS NZ :NH3+ 164:sc=-0.00983 (180deg=-0.0976) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.1) USER MOD Single : A 90 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.02) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.0406 X(o=-0.041,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.330 31.014 12.564 1.00 0.00 N ATOM 2 CA GLY A 1 10.229 30.850 11.632 1.00 0.00 C ATOM 3 C GLY A 1 10.498 31.511 10.295 1.00 0.00 C ATOM 4 O GLY A 1 10.959 32.651 10.240 1.00 0.00 O ATOM 0 H1 GLY A 1 11.097 30.545 13.462 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.190 30.588 12.164 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.492 32.027 12.735 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.043 29.787 11.477 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.323 31.272 12.067 1.00 0.00 H new ATOM 8 N SER A 2 10.210 30.794 9.213 1.00 0.00 N ATOM 9 CA SER A 2 10.429 31.316 7.869 1.00 0.00 C ATOM 10 C SER A 2 9.325 30.857 6.922 1.00 0.00 C ATOM 11 O SER A 2 8.620 29.886 7.197 1.00 0.00 O ATOM 12 CB SER A 2 11.791 30.864 7.340 1.00 0.00 C ATOM 13 OG SER A 2 11.831 29.458 7.167 1.00 0.00 O ATOM 0 H SER A 2 9.824 29.850 9.241 1.00 0.00 H new ATOM 0 HA SER A 2 10.410 32.405 7.921 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.997 31.356 6.390 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.574 31.170 8.034 1.00 0.00 H new ATOM 0 HG SER A 2 12.712 29.195 6.826 1.00 0.00 H new ATOM 19 N SER A 3 9.181 31.564 5.805 1.00 0.00 N ATOM 20 CA SER A 3 8.160 31.233 4.818 1.00 0.00 C ATOM 21 C SER A 3 8.797 30.751 3.518 1.00 0.00 C ATOM 22 O SER A 3 8.569 29.624 3.082 1.00 0.00 O ATOM 23 CB SER A 3 7.272 32.449 4.544 1.00 0.00 C ATOM 24 OG SER A 3 8.050 33.580 4.196 1.00 0.00 O ATOM 0 H SER A 3 9.758 32.369 5.561 1.00 0.00 H new ATOM 0 HA SER A 3 7.547 30.428 5.222 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.576 32.220 3.737 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.674 32.673 5.427 1.00 0.00 H new ATOM 0 HG SER A 3 7.459 34.343 4.024 1.00 0.00 H new ATOM 30 N GLY A 4 9.599 31.616 2.904 1.00 0.00 N ATOM 31 CA GLY A 4 10.258 31.262 1.660 1.00 0.00 C ATOM 32 C GLY A 4 9.295 30.700 0.633 1.00 0.00 C ATOM 33 O GLY A 4 8.089 30.639 0.872 1.00 0.00 O ATOM 0 H GLY A 4 9.804 32.555 3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.749 32.144 1.249 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.038 30.528 1.862 1.00 0.00 H new ATOM 37 N SER A 5 9.827 30.291 -0.514 1.00 0.00 N ATOM 38 CA SER A 5 9.005 29.737 -1.584 1.00 0.00 C ATOM 39 C SER A 5 9.876 29.213 -2.722 1.00 0.00 C ATOM 40 O SER A 5 10.818 29.877 -3.153 1.00 0.00 O ATOM 41 CB SER A 5 8.037 30.797 -2.113 1.00 0.00 C ATOM 42 OG SER A 5 7.175 30.254 -3.097 1.00 0.00 O ATOM 0 H SER A 5 10.824 30.333 -0.727 1.00 0.00 H new ATOM 0 HA SER A 5 8.432 28.904 -1.175 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.447 31.198 -1.289 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.600 31.629 -2.537 1.00 0.00 H new ATOM 0 HG SER A 5 6.565 30.951 -3.418 1.00 0.00 H new ATOM 48 N SER A 6 9.552 28.017 -3.203 1.00 0.00 N ATOM 49 CA SER A 6 10.306 27.401 -4.288 1.00 0.00 C ATOM 50 C SER A 6 9.568 26.185 -4.841 1.00 0.00 C ATOM 51 O SER A 6 9.001 25.394 -4.088 1.00 0.00 O ATOM 52 CB SER A 6 11.697 26.989 -3.802 1.00 0.00 C ATOM 53 OG SER A 6 12.611 28.068 -3.900 1.00 0.00 O ATOM 0 H SER A 6 8.773 27.456 -2.859 1.00 0.00 H new ATOM 0 HA SER A 6 10.411 28.136 -5.087 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.639 26.650 -2.768 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.058 26.147 -4.393 1.00 0.00 H new ATOM 0 HG SER A 6 12.118 28.915 -3.897 1.00 0.00 H new ATOM 59 N GLY A 7 9.579 26.044 -6.163 1.00 0.00 N ATOM 60 CA GLY A 7 8.908 24.923 -6.795 1.00 0.00 C ATOM 61 C GLY A 7 8.414 25.254 -8.189 1.00 0.00 C ATOM 62 O GLY A 7 7.850 26.324 -8.417 1.00 0.00 O ATOM 0 H GLY A 7 10.041 26.686 -6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.592 24.076 -6.847 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.064 24.614 -6.178 1.00 0.00 H new ATOM 66 N SER A 8 8.628 24.335 -9.125 1.00 0.00 N ATOM 67 CA SER A 8 8.205 24.537 -10.506 1.00 0.00 C ATOM 68 C SER A 8 6.879 23.833 -10.777 1.00 0.00 C ATOM 69 O SER A 8 6.821 22.606 -10.865 1.00 0.00 O ATOM 70 CB SER A 8 9.276 24.022 -11.470 1.00 0.00 C ATOM 71 OG SER A 8 9.601 22.670 -11.195 1.00 0.00 O ATOM 0 H SER A 8 9.092 23.443 -8.952 1.00 0.00 H new ATOM 0 HA SER A 8 8.067 25.606 -10.665 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.920 24.112 -12.496 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.171 24.639 -11.388 1.00 0.00 H new ATOM 0 HG SER A 8 8.787 22.180 -10.955 1.00 0.00 H new ATOM 77 N THR A 9 5.815 24.618 -10.909 1.00 0.00 N ATOM 78 CA THR A 9 4.489 24.072 -11.169 1.00 0.00 C ATOM 79 C THR A 9 4.376 23.562 -12.601 1.00 0.00 C ATOM 80 O THR A 9 4.713 24.269 -13.550 1.00 0.00 O ATOM 81 CB THR A 9 3.390 25.123 -10.921 1.00 0.00 C ATOM 82 OG1 THR A 9 2.108 24.577 -11.248 1.00 0.00 O ATOM 83 CG2 THR A 9 3.641 26.374 -11.750 1.00 0.00 C ATOM 0 H THR A 9 5.846 25.635 -10.840 1.00 0.00 H new ATOM 0 HA THR A 9 4.348 23.241 -10.478 1.00 0.00 H new ATOM 0 HB THR A 9 3.410 25.396 -9.866 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.415 25.250 -11.086 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.852 27.102 -11.558 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.605 26.804 -11.478 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.646 26.114 -12.809 1.00 0.00 H new ATOM 91 N ALA A 10 3.898 22.331 -12.750 1.00 0.00 N ATOM 92 CA ALA A 10 3.737 21.728 -14.067 1.00 0.00 C ATOM 93 C ALA A 10 2.273 21.723 -14.493 1.00 0.00 C ATOM 94 O ALA A 10 1.391 21.353 -13.718 1.00 0.00 O ATOM 95 CB ALA A 10 4.295 20.312 -14.071 1.00 0.00 C ATOM 0 H ALA A 10 3.615 21.732 -11.974 1.00 0.00 H new ATOM 0 HA ALA A 10 4.295 22.329 -14.785 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.168 19.874 -15.061 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.355 20.338 -13.819 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.762 19.709 -13.336 1.00 0.00 H new ATOM 101 N THR A 11 2.021 22.137 -15.731 1.00 0.00 N ATOM 102 CA THR A 11 0.664 22.182 -16.260 1.00 0.00 C ATOM 103 C THR A 11 0.206 20.802 -16.718 1.00 0.00 C ATOM 104 O THR A 11 -0.924 20.394 -16.451 1.00 0.00 O ATOM 105 CB THR A 11 0.554 23.165 -17.442 1.00 0.00 C ATOM 106 OG1 THR A 11 1.425 22.756 -18.502 1.00 0.00 O ATOM 107 CG2 THR A 11 0.907 24.578 -17.005 1.00 0.00 C ATOM 0 H THR A 11 2.739 22.446 -16.386 1.00 0.00 H new ATOM 0 HA THR A 11 0.021 22.525 -15.450 1.00 0.00 H new ATOM 0 HB THR A 11 -0.477 23.158 -17.797 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.348 23.385 -19.250 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.822 25.254 -17.856 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.223 24.897 -16.219 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.929 24.597 -16.627 1.00 0.00 H new ATOM 115 N GLN A 12 1.090 20.088 -17.406 1.00 0.00 N ATOM 116 CA GLN A 12 0.775 18.753 -17.900 1.00 0.00 C ATOM 117 C GLN A 12 1.192 17.687 -16.892 1.00 0.00 C ATOM 118 O GLN A 12 1.802 16.680 -17.253 1.00 0.00 O ATOM 119 CB GLN A 12 1.470 18.505 -19.240 1.00 0.00 C ATOM 120 CG GLN A 12 0.957 19.389 -20.365 1.00 0.00 C ATOM 121 CD GLN A 12 1.896 19.423 -21.555 1.00 0.00 C ATOM 122 OE1 GLN A 12 3.116 19.464 -21.397 1.00 0.00 O ATOM 123 NE2 GLN A 12 1.330 19.406 -22.756 1.00 0.00 N ATOM 0 H GLN A 12 2.030 20.411 -17.634 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.304 18.691 -18.041 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.541 18.669 -19.120 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.337 17.460 -19.521 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.020 19.029 -20.688 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.815 20.403 -19.990 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.314 19.372 -22.841 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.911 19.427 -23.594 1.00 0.00 H new ATOM 132 N LYS A 13 0.860 17.915 -15.626 1.00 0.00 N ATOM 133 CA LYS A 13 1.199 16.975 -14.564 1.00 0.00 C ATOM 134 C LYS A 13 0.032 16.037 -14.275 1.00 0.00 C ATOM 135 O LYS A 13 -0.237 15.701 -13.121 1.00 0.00 O ATOM 136 CB LYS A 13 1.588 17.730 -13.291 1.00 0.00 C ATOM 137 CG LYS A 13 2.252 16.854 -12.243 1.00 0.00 C ATOM 138 CD LYS A 13 2.922 17.687 -11.163 1.00 0.00 C ATOM 139 CE LYS A 13 3.641 16.811 -10.149 1.00 0.00 C ATOM 140 NZ LYS A 13 4.743 16.029 -10.775 1.00 0.00 N ATOM 0 H LYS A 13 0.356 18.744 -15.310 1.00 0.00 H new ATOM 0 HA LYS A 13 2.048 16.378 -14.898 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.264 18.544 -13.554 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.695 18.184 -12.861 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.507 16.200 -11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.992 16.212 -12.720 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.633 18.374 -11.621 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.174 18.295 -10.654 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.046 17.435 -9.352 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.927 16.128 -9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.363 15.648 -10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.342 15.245 -11.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.295 16.648 -11.403 1.00 0.00 H new ATOM 154 N LEU A 14 -0.657 15.615 -15.330 1.00 0.00 N ATOM 155 CA LEU A 14 -1.796 14.714 -15.190 1.00 0.00 C ATOM 156 C LEU A 14 -1.334 13.307 -14.825 1.00 0.00 C ATOM 157 O LEU A 14 -0.205 12.915 -15.123 1.00 0.00 O ATOM 158 CB LEU A 14 -2.605 14.677 -16.487 1.00 0.00 C ATOM 159 CG LEU A 14 -2.030 13.817 -17.613 1.00 0.00 C ATOM 160 CD1 LEU A 14 -0.583 14.195 -17.887 1.00 0.00 C ATOM 161 CD2 LEU A 14 -2.141 12.340 -17.265 1.00 0.00 C ATOM 0 H LEU A 14 -0.447 15.882 -16.292 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.429 15.090 -14.386 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.607 14.315 -16.256 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.711 15.698 -16.855 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.609 14.001 -18.518 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.190 13.573 -18.691 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.530 15.243 -18.181 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.010 14.040 -16.986 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.727 11.743 -18.077 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.587 12.140 -16.348 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.189 12.078 -17.120 1.00 0.00 H new ATOM 173 N LEU A 15 -2.214 12.549 -14.181 1.00 0.00 N ATOM 174 CA LEU A 15 -1.898 11.183 -13.777 1.00 0.00 C ATOM 175 C LEU A 15 -3.120 10.497 -13.175 1.00 0.00 C ATOM 176 O LEU A 15 -4.075 11.156 -12.764 1.00 0.00 O ATOM 177 CB LEU A 15 -0.749 11.182 -12.767 1.00 0.00 C ATOM 178 CG LEU A 15 -0.895 12.139 -11.584 1.00 0.00 C ATOM 179 CD1 LEU A 15 -1.969 11.646 -10.627 1.00 0.00 C ATOM 180 CD2 LEU A 15 0.435 12.299 -10.861 1.00 0.00 C ATOM 0 H LEU A 15 -3.153 12.857 -13.927 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.594 10.629 -14.665 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.634 10.170 -12.378 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.173 11.427 -13.295 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.198 13.114 -11.965 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.058 12.340 -9.791 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.923 11.584 -11.151 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.697 10.660 -10.252 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.313 12.984 -10.022 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.768 11.329 -10.492 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.178 12.699 -11.551 1.00 0.00 H new ATOM 192 N ARG A 16 -3.082 9.169 -13.125 1.00 0.00 N ATOM 193 CA ARG A 16 -4.185 8.393 -12.572 1.00 0.00 C ATOM 194 C ARG A 16 -3.932 8.057 -11.105 1.00 0.00 C ATOM 195 O ARG A 16 -2.833 8.262 -10.590 1.00 0.00 O ATOM 196 CB ARG A 16 -4.384 7.106 -13.375 1.00 0.00 C ATOM 197 CG ARG A 16 -5.005 7.332 -14.744 1.00 0.00 C ATOM 198 CD ARG A 16 -6.524 7.286 -14.681 1.00 0.00 C ATOM 199 NE ARG A 16 -7.095 8.574 -14.297 1.00 0.00 N ATOM 200 CZ ARG A 16 -7.344 9.554 -15.159 1.00 0.00 C ATOM 201 NH1 ARG A 16 -7.074 9.393 -16.447 1.00 0.00 N ATOM 202 NH2 ARG A 16 -7.865 10.698 -14.734 1.00 0.00 N ATOM 0 H ARG A 16 -2.299 8.608 -13.461 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.090 8.997 -12.637 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.420 6.613 -13.500 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.018 6.427 -12.805 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.685 8.298 -15.135 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.645 6.572 -15.438 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.918 6.990 -15.653 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.834 6.524 -13.966 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.315 8.730 -13.313 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.674 8.515 -16.778 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.266 10.147 -17.107 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.075 10.826 -13.744 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.055 11.449 -15.397 1.00 0.00 H new ATOM 216 N THR A 17 -4.958 7.539 -10.437 1.00 0.00 N ATOM 217 CA THR A 17 -4.848 7.175 -9.030 1.00 0.00 C ATOM 218 C THR A 17 -4.964 5.667 -8.841 1.00 0.00 C ATOM 219 O THR A 17 -4.360 5.097 -7.931 1.00 0.00 O ATOM 220 CB THR A 17 -5.930 7.872 -8.183 1.00 0.00 C ATOM 221 OG1 THR A 17 -5.812 7.474 -6.813 1.00 0.00 O ATOM 222 CG2 THR A 17 -7.321 7.531 -8.697 1.00 0.00 C ATOM 0 H THR A 17 -5.875 7.362 -10.848 1.00 0.00 H new ATOM 0 HA THR A 17 -3.865 7.506 -8.694 1.00 0.00 H new ATOM 0 HB THR A 17 -5.784 8.949 -8.261 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.502 7.923 -6.281 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.069 8.034 -8.084 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.418 7.861 -9.731 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.474 6.453 -8.644 1.00 0.00 H new ATOM 230 N ASP A 18 -5.742 5.025 -9.705 1.00 0.00 N ATOM 231 CA ASP A 18 -5.935 3.581 -9.635 1.00 0.00 C ATOM 232 C ASP A 18 -4.812 2.847 -10.359 1.00 0.00 C ATOM 233 O ASP A 18 -5.025 1.784 -10.944 1.00 0.00 O ATOM 234 CB ASP A 18 -7.286 3.196 -10.239 1.00 0.00 C ATOM 235 CG ASP A 18 -7.332 3.412 -11.739 1.00 0.00 C ATOM 236 OD1 ASP A 18 -6.647 4.335 -12.227 1.00 0.00 O ATOM 237 OD2 ASP A 18 -8.053 2.657 -12.426 1.00 0.00 O ATOM 0 H ASP A 18 -6.250 5.482 -10.463 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.918 3.287 -8.585 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.494 2.149 -10.019 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.073 3.783 -9.766 1.00 0.00 H new ATOM 242 N LYS A 19 -3.614 3.420 -10.318 1.00 0.00 N ATOM 243 CA LYS A 19 -2.455 2.820 -10.969 1.00 0.00 C ATOM 244 C LYS A 19 -1.331 2.580 -9.967 1.00 0.00 C ATOM 245 O LYS A 19 -1.053 3.425 -9.115 1.00 0.00 O ATOM 246 CB LYS A 19 -1.958 3.722 -12.102 1.00 0.00 C ATOM 247 CG LYS A 19 -1.708 5.157 -11.672 1.00 0.00 C ATOM 248 CD LYS A 19 -0.274 5.359 -11.211 1.00 0.00 C ATOM 249 CE LYS A 19 0.653 5.643 -12.383 1.00 0.00 C ATOM 250 NZ LYS A 19 0.604 7.073 -12.795 1.00 0.00 N ATOM 0 H LYS A 19 -3.420 4.300 -9.840 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.759 1.859 -11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.035 3.307 -12.507 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.691 3.716 -12.908 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.922 5.829 -12.503 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.391 5.420 -10.865 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.231 6.187 -10.503 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.068 4.469 -10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.675 5.378 -12.110 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.375 5.012 -13.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.249 7.226 -13.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.366 7.319 -13.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.894 7.674 -11.997 1.00 0.00 H new ATOM 264 N LEU A 20 -0.686 1.423 -10.074 1.00 0.00 N ATOM 265 CA LEU A 20 0.410 1.072 -9.178 1.00 0.00 C ATOM 266 C LEU A 20 1.678 0.759 -9.965 1.00 0.00 C ATOM 267 O LEU A 20 1.637 0.049 -10.969 1.00 0.00 O ATOM 268 CB LEU A 20 0.023 -0.129 -8.314 1.00 0.00 C ATOM 269 CG LEU A 20 -0.650 0.193 -6.979 1.00 0.00 C ATOM 270 CD1 LEU A 20 -1.394 -1.023 -6.448 1.00 0.00 C ATOM 271 CD2 LEU A 20 0.379 0.675 -5.966 1.00 0.00 C ATOM 0 H LEU A 20 -0.903 0.712 -10.773 1.00 0.00 H new ATOM 0 HA LEU A 20 0.607 1.928 -8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.647 -0.766 -8.892 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.922 -0.712 -8.113 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.373 0.992 -7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.866 -0.774 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.158 -1.324 -7.165 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.692 -1.843 -6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.117 0.900 -5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.126 -0.103 -5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.867 1.574 -6.342 1.00 0.00 H new ATOM 283 N GLU A 21 2.804 1.293 -9.500 1.00 0.00 N ATOM 284 CA GLU A 21 4.084 1.069 -10.161 1.00 0.00 C ATOM 285 C GLU A 21 4.661 -0.292 -9.781 1.00 0.00 C ATOM 286 O GLU A 21 5.050 -0.517 -8.635 1.00 0.00 O ATOM 287 CB GLU A 21 5.074 2.175 -9.792 1.00 0.00 C ATOM 288 CG GLU A 21 4.904 3.442 -10.613 1.00 0.00 C ATOM 289 CD GLU A 21 5.597 4.639 -9.991 1.00 0.00 C ATOM 290 OE1 GLU A 21 5.608 4.737 -8.746 1.00 0.00 O ATOM 291 OE2 GLU A 21 6.128 5.477 -10.749 1.00 0.00 O ATOM 0 H GLU A 21 2.855 1.883 -8.669 1.00 0.00 H new ATOM 0 HA GLU A 21 3.916 1.086 -11.238 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.957 2.418 -8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.089 1.801 -9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.301 3.277 -11.615 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.842 3.659 -10.723 1.00 0.00 H new ATOM 298 N VAL A 22 4.714 -1.198 -10.753 1.00 0.00 N ATOM 299 CA VAL A 22 5.244 -2.537 -10.522 1.00 0.00 C ATOM 300 C VAL A 22 6.727 -2.488 -10.174 1.00 0.00 C ATOM 301 O VAL A 22 7.542 -1.990 -10.951 1.00 0.00 O ATOM 302 CB VAL A 22 5.046 -3.438 -11.755 1.00 0.00 C ATOM 303 CG1 VAL A 22 5.939 -4.667 -11.667 1.00 0.00 C ATOM 304 CG2 VAL A 22 3.585 -3.840 -11.893 1.00 0.00 C ATOM 0 H VAL A 22 4.396 -1.029 -11.707 1.00 0.00 H new ATOM 0 HA VAL A 22 4.691 -2.957 -9.682 1.00 0.00 H new ATOM 0 HB VAL A 22 5.329 -2.874 -12.644 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.786 -5.292 -12.547 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.983 -4.356 -11.620 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.689 -5.235 -10.771 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.464 -4.476 -12.770 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.272 -4.385 -11.003 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.971 -2.947 -12.006 1.00 0.00 H new ATOM 314 N CYS A 23 7.071 -3.009 -9.001 1.00 0.00 N ATOM 315 CA CYS A 23 8.457 -3.026 -8.548 1.00 0.00 C ATOM 316 C CYS A 23 9.361 -3.679 -9.589 1.00 0.00 C ATOM 317 O CYS A 23 8.929 -4.552 -10.342 1.00 0.00 O ATOM 318 CB CYS A 23 8.571 -3.772 -7.217 1.00 0.00 C ATOM 319 SG CYS A 23 9.889 -3.148 -6.126 1.00 0.00 S ATOM 0 H CYS A 23 6.409 -3.425 -8.347 1.00 0.00 H new ATOM 0 HA CYS A 23 8.780 -1.995 -8.408 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.618 -3.705 -6.692 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.751 -4.828 -7.419 1.00 0.00 H new ATOM 324 N ARG A 24 10.618 -3.249 -9.626 1.00 0.00 N ATOM 325 CA ARG A 24 11.584 -3.790 -10.575 1.00 0.00 C ATOM 326 C ARG A 24 12.351 -4.958 -9.963 1.00 0.00 C ATOM 327 O ARG A 24 12.640 -5.945 -10.638 1.00 0.00 O ATOM 328 CB ARG A 24 12.561 -2.700 -11.018 1.00 0.00 C ATOM 329 CG ARG A 24 11.972 -1.728 -12.028 1.00 0.00 C ATOM 330 CD ARG A 24 12.024 -2.291 -13.439 1.00 0.00 C ATOM 331 NE ARG A 24 13.360 -2.194 -14.019 1.00 0.00 N ATOM 332 CZ ARG A 24 13.858 -1.076 -14.535 1.00 0.00 C ATOM 333 NH1 ARG A 24 13.133 0.034 -14.543 1.00 0.00 N ATOM 334 NH2 ARG A 24 15.083 -1.066 -15.044 1.00 0.00 N ATOM 0 H ARG A 24 10.991 -2.527 -9.010 1.00 0.00 H new ATOM 0 HA ARG A 24 11.037 -4.153 -11.445 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.893 -2.143 -10.142 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.444 -3.170 -11.451 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.939 -1.507 -11.761 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.520 -0.786 -11.990 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.710 -3.335 -13.424 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.315 -1.754 -14.070 1.00 0.00 H new ATOM 0 HE ARG A 24 13.943 -3.031 -14.029 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.191 0.031 -14.152 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.517 0.891 -14.940 1.00 0.00 H new ATOM 0 HH21 ARG A 24 15.644 -1.918 -15.040 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.464 -0.207 -15.440 1.00 0.00 H new ATOM 348 N GLU A 25 12.679 -4.837 -8.680 1.00 0.00 N ATOM 349 CA GLU A 25 13.414 -5.883 -7.978 1.00 0.00 C ATOM 350 C GLU A 25 12.582 -7.158 -7.876 1.00 0.00 C ATOM 351 O GLU A 25 12.974 -8.210 -8.382 1.00 0.00 O ATOM 352 CB GLU A 25 13.812 -5.406 -6.579 1.00 0.00 C ATOM 353 CG GLU A 25 14.895 -4.340 -6.584 1.00 0.00 C ATOM 354 CD GLU A 25 14.481 -3.092 -7.339 1.00 0.00 C ATOM 355 OE1 GLU A 25 13.546 -2.404 -6.879 1.00 0.00 O ATOM 356 OE2 GLU A 25 15.091 -2.803 -8.390 1.00 0.00 O ATOM 0 H GLU A 25 12.448 -4.026 -8.106 1.00 0.00 H new ATOM 0 HA GLU A 25 14.316 -6.104 -8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.930 -5.013 -6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.158 -6.261 -5.998 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.142 -4.073 -5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.800 -4.749 -7.034 1.00 0.00 H new ATOM 363 N PHE A 26 11.433 -7.056 -7.217 1.00 0.00 N ATOM 364 CA PHE A 26 10.546 -8.201 -7.046 1.00 0.00 C ATOM 365 C PHE A 26 10.462 -9.021 -8.330 1.00 0.00 C ATOM 366 O PHE A 26 10.648 -10.237 -8.314 1.00 0.00 O ATOM 367 CB PHE A 26 9.148 -7.733 -6.635 1.00 0.00 C ATOM 368 CG PHE A 26 8.053 -8.669 -7.059 1.00 0.00 C ATOM 369 CD1 PHE A 26 7.486 -8.568 -8.319 1.00 0.00 C ATOM 370 CD2 PHE A 26 7.591 -9.651 -6.197 1.00 0.00 C ATOM 371 CE1 PHE A 26 6.479 -9.429 -8.713 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.584 -10.515 -6.585 1.00 0.00 C ATOM 373 CZ PHE A 26 6.027 -10.403 -7.844 1.00 0.00 C ATOM 0 H PHE A 26 11.094 -6.193 -6.793 1.00 0.00 H new ATOM 0 HA PHE A 26 10.957 -8.833 -6.258 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.116 -7.617 -5.552 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.962 -6.750 -7.066 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.835 -7.807 -9.002 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.023 -9.742 -5.211 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.046 -9.340 -9.699 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.233 -11.277 -5.904 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.239 -11.076 -8.149 1.00 0.00 H new ATOM 383 N GLN A 27 10.182 -8.345 -9.440 1.00 0.00 N ATOM 384 CA GLN A 27 10.073 -9.011 -10.732 1.00 0.00 C ATOM 385 C GLN A 27 11.109 -10.123 -10.860 1.00 0.00 C ATOM 386 O GLN A 27 10.780 -11.251 -11.230 1.00 0.00 O ATOM 387 CB GLN A 27 10.250 -8.000 -11.867 1.00 0.00 C ATOM 388 CG GLN A 27 8.974 -7.252 -12.218 1.00 0.00 C ATOM 389 CD GLN A 27 9.087 -6.487 -13.523 1.00 0.00 C ATOM 390 OE1 GLN A 27 9.448 -5.310 -13.536 1.00 0.00 O ATOM 391 NE2 GLN A 27 8.779 -7.154 -14.629 1.00 0.00 N ATOM 0 H GLN A 27 10.027 -7.337 -9.470 1.00 0.00 H new ATOM 0 HA GLN A 27 9.080 -9.455 -10.801 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.018 -7.280 -11.585 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.612 -8.521 -12.754 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.149 -7.961 -12.287 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.731 -6.557 -11.414 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.484 -8.129 -14.571 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.837 -6.692 -15.536 1.00 0.00 H new ATOM 400 N ARG A 28 12.360 -9.798 -10.553 1.00 0.00 N ATOM 401 CA ARG A 28 13.444 -10.770 -10.636 1.00 0.00 C ATOM 402 C ARG A 28 13.589 -11.536 -9.324 1.00 0.00 C ATOM 403 O ARG A 28 14.140 -12.635 -9.293 1.00 0.00 O ATOM 404 CB ARG A 28 14.760 -10.069 -10.977 1.00 0.00 C ATOM 405 CG ARG A 28 15.345 -9.274 -9.821 1.00 0.00 C ATOM 406 CD ARG A 28 16.833 -9.026 -10.012 1.00 0.00 C ATOM 407 NE ARG A 28 17.636 -10.177 -9.608 1.00 0.00 N ATOM 408 CZ ARG A 28 18.866 -10.409 -10.055 1.00 0.00 C ATOM 409 NH1 ARG A 28 19.431 -9.572 -10.915 1.00 0.00 N ATOM 410 NH2 ARG A 28 19.533 -11.478 -9.641 1.00 0.00 N ATOM 0 H ARG A 28 12.648 -8.870 -10.245 1.00 0.00 H new ATOM 0 HA ARG A 28 13.202 -11.480 -11.427 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.487 -10.815 -11.298 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.597 -9.399 -11.821 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.824 -8.320 -9.734 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.182 -9.813 -8.888 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.031 -8.796 -11.059 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.133 -8.153 -9.432 1.00 0.00 H new ATOM 0 HE ARG A 28 17.231 -10.839 -8.946 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.921 -8.748 -11.235 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.375 -9.752 -11.257 1.00 0.00 H new ATOM 0 HH21 ARG A 28 19.102 -12.123 -8.979 1.00 0.00 H new ATOM 0 HH22 ARG A 28 20.477 -11.655 -9.985 1.00 0.00 H new ATOM 424 N GLY A 29 13.090 -10.946 -8.242 1.00 0.00 N ATOM 425 CA GLY A 29 13.174 -11.586 -6.942 1.00 0.00 C ATOM 426 C GLY A 29 14.333 -11.067 -6.114 1.00 0.00 C ATOM 427 O GLY A 29 15.162 -11.843 -5.640 1.00 0.00 O ATOM 0 H GLY A 29 12.629 -10.036 -8.243 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.243 -11.424 -6.400 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.281 -12.662 -7.077 1.00 0.00 H new ATOM 431 N ASN A 30 14.391 -9.751 -5.941 1.00 0.00 N ATOM 432 CA ASN A 30 15.459 -9.129 -5.166 1.00 0.00 C ATOM 433 C ASN A 30 14.886 -8.241 -4.065 1.00 0.00 C ATOM 434 O ASN A 30 15.501 -8.062 -3.014 1.00 0.00 O ATOM 435 CB ASN A 30 16.367 -8.304 -6.081 1.00 0.00 C ATOM 436 CG ASN A 30 17.421 -7.535 -5.308 1.00 0.00 C ATOM 437 OD1 ASN A 30 17.806 -7.925 -4.205 1.00 0.00 O ATOM 438 ND2 ASN A 30 17.894 -6.436 -5.884 1.00 0.00 N ATOM 0 H ASN A 30 13.712 -9.095 -6.326 1.00 0.00 H new ATOM 0 HA ASN A 30 16.046 -9.921 -4.701 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.855 -8.966 -6.796 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.760 -7.605 -6.656 1.00 0.00 H new ATOM 0 HD21 ASN A 30 18.605 -5.878 -5.411 1.00 0.00 H new ATOM 0 HD22 ASN A 30 17.546 -6.150 -6.799 1.00 0.00 H new ATOM 445 N CYS A 31 13.703 -7.689 -4.314 1.00 0.00 N ATOM 446 CA CYS A 31 13.045 -6.821 -3.345 1.00 0.00 C ATOM 447 C CYS A 31 12.859 -7.537 -2.011 1.00 0.00 C ATOM 448 O CYS A 31 12.271 -8.617 -1.951 1.00 0.00 O ATOM 449 CB CYS A 31 11.689 -6.358 -3.882 1.00 0.00 C ATOM 450 SG CYS A 31 11.065 -4.832 -3.107 1.00 0.00 S ATOM 0 H CYS A 31 13.180 -7.828 -5.179 1.00 0.00 H new ATOM 0 HA CYS A 31 13.681 -5.950 -3.184 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.771 -6.200 -4.957 1.00 0.00 H new ATOM 0 HB3 CYS A 31 10.960 -7.154 -3.732 1.00 0.00 H new ATOM 455 N ALA A 32 13.363 -6.928 -0.943 1.00 0.00 N ATOM 456 CA ALA A 32 13.250 -7.506 0.391 1.00 0.00 C ATOM 457 C ALA A 32 12.151 -6.821 1.195 1.00 0.00 C ATOM 458 O ALA A 32 11.711 -7.333 2.224 1.00 0.00 O ATOM 459 CB ALA A 32 14.581 -7.408 1.123 1.00 0.00 C ATOM 0 H ALA A 32 13.854 -6.034 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 32 12.983 -8.557 0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.482 -7.843 2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.344 -7.949 0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.871 -6.361 1.212 1.00 0.00 H new ATOM 465 N ARG A 33 11.712 -5.660 0.719 1.00 0.00 N ATOM 466 CA ARG A 33 10.664 -4.904 1.395 1.00 0.00 C ATOM 467 C ARG A 33 9.293 -5.521 1.133 1.00 0.00 C ATOM 468 O ARG A 33 8.332 -5.250 1.851 1.00 0.00 O ATOM 469 CB ARG A 33 10.677 -3.447 0.930 1.00 0.00 C ATOM 470 CG ARG A 33 11.571 -2.548 1.768 1.00 0.00 C ATOM 471 CD ARG A 33 11.415 -1.087 1.377 1.00 0.00 C ATOM 472 NE ARG A 33 12.368 -0.692 0.343 1.00 0.00 N ATOM 473 CZ ARG A 33 12.769 0.560 0.153 1.00 0.00 C ATOM 474 NH1 ARG A 33 12.304 1.533 0.924 1.00 0.00 N ATOM 475 NH2 ARG A 33 13.639 0.840 -0.809 1.00 0.00 N ATOM 0 H ARG A 33 12.066 -5.223 -0.132 1.00 0.00 H new ATOM 0 HA ARG A 33 10.859 -4.938 2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.008 -3.409 -0.108 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.659 -3.058 0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.327 -2.672 2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.611 -2.850 1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.400 -0.914 1.020 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.554 -0.459 2.257 1.00 0.00 H new ATOM 0 HE ARG A 33 12.746 -1.417 -0.266 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.636 1.321 1.666 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.614 2.493 0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.000 0.094 -1.403 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.947 1.802 -0.954 1.00 0.00 H new ATOM 489 N GLY A 34 9.212 -6.353 0.099 1.00 0.00 N ATOM 490 CA GLY A 34 7.955 -6.994 -0.240 1.00 0.00 C ATOM 491 C GLY A 34 6.832 -5.997 -0.448 1.00 0.00 C ATOM 492 O GLY A 34 6.987 -4.811 -0.159 1.00 0.00 O ATOM 0 H GLY A 34 9.994 -6.594 -0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.085 -7.584 -1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.679 -7.687 0.554 1.00 0.00 H new ATOM 496 N GLU A 35 5.701 -6.478 -0.953 1.00 0.00 N ATOM 497 CA GLU A 35 4.550 -5.619 -1.203 1.00 0.00 C ATOM 498 C GLU A 35 3.935 -5.139 0.109 1.00 0.00 C ATOM 499 O GLU A 35 2.967 -4.377 0.113 1.00 0.00 O ATOM 500 CB GLU A 35 3.499 -6.363 -2.029 1.00 0.00 C ATOM 501 CG GLU A 35 2.735 -7.413 -1.239 1.00 0.00 C ATOM 502 CD GLU A 35 3.548 -8.671 -1.003 1.00 0.00 C ATOM 503 OE1 GLU A 35 3.899 -9.345 -1.994 1.00 0.00 O ATOM 504 OE2 GLU A 35 3.833 -8.982 0.172 1.00 0.00 O ATOM 0 H GLU A 35 5.557 -7.458 -1.197 1.00 0.00 H new ATOM 0 HA GLU A 35 4.893 -4.750 -1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.791 -5.641 -2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.988 -6.843 -2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.435 -6.993 -0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.821 -7.671 -1.774 1.00 0.00 H new ATOM 511 N THR A 36 4.504 -5.590 1.222 1.00 0.00 N ATOM 512 CA THR A 36 4.012 -5.209 2.540 1.00 0.00 C ATOM 513 C THR A 36 4.753 -3.987 3.072 1.00 0.00 C ATOM 514 O THR A 36 4.166 -3.134 3.737 1.00 0.00 O ATOM 515 CB THR A 36 4.158 -6.363 3.550 1.00 0.00 C ATOM 516 OG1 THR A 36 5.544 -6.617 3.806 1.00 0.00 O ATOM 517 CG2 THR A 36 3.494 -7.627 3.026 1.00 0.00 C ATOM 0 H THR A 36 5.306 -6.220 1.237 1.00 0.00 H new ATOM 0 HA THR A 36 2.955 -4.968 2.425 1.00 0.00 H new ATOM 0 HB THR A 36 3.665 -6.070 4.477 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.629 -7.351 4.450 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.610 -8.428 3.756 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.433 -7.439 2.859 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.962 -7.921 2.087 1.00 0.00 H new ATOM 525 N ASP A 37 6.045 -3.909 2.773 1.00 0.00 N ATOM 526 CA ASP A 37 6.866 -2.789 3.220 1.00 0.00 C ATOM 527 C ASP A 37 7.364 -1.972 2.031 1.00 0.00 C ATOM 528 O ASP A 37 8.112 -1.008 2.196 1.00 0.00 O ATOM 529 CB ASP A 37 8.054 -3.296 4.039 1.00 0.00 C ATOM 530 CG ASP A 37 8.543 -2.271 5.044 1.00 0.00 C ATOM 531 OD1 ASP A 37 8.364 -1.061 4.793 1.00 0.00 O ATOM 532 OD2 ASP A 37 9.105 -2.680 6.082 1.00 0.00 O ATOM 0 H ASP A 37 6.546 -4.607 2.224 1.00 0.00 H new ATOM 0 HA ASP A 37 6.249 -2.146 3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.767 -4.207 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.870 -3.559 3.366 1.00 0.00 H new ATOM 537 N CYS A 38 6.945 -2.365 0.833 1.00 0.00 N ATOM 538 CA CYS A 38 7.349 -1.671 -0.384 1.00 0.00 C ATOM 539 C CYS A 38 6.214 -0.800 -0.915 1.00 0.00 C ATOM 540 O CYS A 38 5.058 -1.222 -0.951 1.00 0.00 O ATOM 541 CB CYS A 38 7.775 -2.679 -1.453 1.00 0.00 C ATOM 542 SG CYS A 38 8.637 -1.935 -2.875 1.00 0.00 S ATOM 0 H CYS A 38 6.326 -3.161 0.679 1.00 0.00 H new ATOM 0 HA CYS A 38 8.195 -1.028 -0.142 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.427 -3.424 -0.996 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.891 -3.206 -1.813 1.00 0.00 H new ATOM 547 N ARG A 39 6.554 0.418 -1.326 1.00 0.00 N ATOM 548 CA ARG A 39 5.564 1.349 -1.854 1.00 0.00 C ATOM 549 C ARG A 39 5.043 0.879 -3.209 1.00 0.00 C ATOM 550 O ARG A 39 3.937 1.234 -3.618 1.00 0.00 O ATOM 551 CB ARG A 39 6.169 2.748 -1.985 1.00 0.00 C ATOM 552 CG ARG A 39 6.603 3.351 -0.660 1.00 0.00 C ATOM 553 CD ARG A 39 6.829 4.850 -0.777 1.00 0.00 C ATOM 554 NE ARG A 39 5.573 5.596 -0.776 1.00 0.00 N ATOM 555 CZ ARG A 39 5.444 6.817 -1.280 1.00 0.00 C ATOM 556 NH1 ARG A 39 6.487 7.428 -1.824 1.00 0.00 N ATOM 557 NH2 ARG A 39 4.268 7.431 -1.242 1.00 0.00 N ATOM 0 H ARG A 39 7.506 0.782 -1.303 1.00 0.00 H new ATOM 0 HA ARG A 39 4.727 1.386 -1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.030 2.701 -2.652 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.438 3.408 -2.453 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.843 3.155 0.096 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.521 2.869 -0.323 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.452 5.188 0.051 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.376 5.063 -1.695 1.00 0.00 H new ATOM 0 HE ARG A 39 4.750 5.154 -0.366 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.393 6.960 -1.856 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.384 8.366 -2.210 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.462 6.965 -0.825 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.170 8.369 -1.630 1.00 0.00 H new ATOM 571 N PHE A 40 5.848 0.079 -3.901 1.00 0.00 N ATOM 572 CA PHE A 40 5.469 -0.439 -5.211 1.00 0.00 C ATOM 573 C PHE A 40 4.725 -1.764 -5.077 1.00 0.00 C ATOM 574 O PHE A 40 4.993 -2.550 -4.169 1.00 0.00 O ATOM 575 CB PHE A 40 6.709 -0.623 -6.088 1.00 0.00 C ATOM 576 CG PHE A 40 7.366 0.671 -6.477 1.00 0.00 C ATOM 577 CD1 PHE A 40 7.786 1.568 -5.509 1.00 0.00 C ATOM 578 CD2 PHE A 40 7.562 0.989 -7.811 1.00 0.00 C ATOM 579 CE1 PHE A 40 8.390 2.760 -5.865 1.00 0.00 C ATOM 580 CE2 PHE A 40 8.165 2.179 -8.173 1.00 0.00 C ATOM 581 CZ PHE A 40 8.580 3.065 -7.199 1.00 0.00 C ATOM 0 H PHE A 40 6.766 -0.225 -3.577 1.00 0.00 H new ATOM 0 HA PHE A 40 4.804 0.285 -5.682 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.431 -1.243 -5.557 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.428 -1.165 -6.991 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.640 1.334 -4.465 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.240 0.299 -8.577 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.713 3.452 -5.101 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.311 2.415 -9.217 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.052 3.995 -7.479 1.00 0.00 H new ATOM 591 N ALA A 41 3.789 -2.005 -5.989 1.00 0.00 N ATOM 592 CA ALA A 41 3.007 -3.235 -5.975 1.00 0.00 C ATOM 593 C ALA A 41 3.783 -4.386 -6.607 1.00 0.00 C ATOM 594 O ALA A 41 4.491 -4.201 -7.598 1.00 0.00 O ATOM 595 CB ALA A 41 1.685 -3.028 -6.698 1.00 0.00 C ATOM 0 H ALA A 41 3.554 -1.364 -6.747 1.00 0.00 H new ATOM 0 HA ALA A 41 2.804 -3.495 -4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.111 -3.955 -6.680 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.118 -2.240 -6.201 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.877 -2.740 -7.732 1.00 0.00 H new ATOM 601 N HIS A 42 3.646 -5.575 -6.028 1.00 0.00 N ATOM 602 CA HIS A 42 4.335 -6.756 -6.535 1.00 0.00 C ATOM 603 C HIS A 42 3.353 -7.709 -7.211 1.00 0.00 C ATOM 604 O HIS A 42 2.637 -8.468 -6.557 1.00 0.00 O ATOM 605 CB HIS A 42 5.062 -7.476 -5.398 1.00 0.00 C ATOM 606 CG HIS A 42 6.177 -6.676 -4.799 1.00 0.00 C ATOM 607 ND1 HIS A 42 7.293 -7.250 -4.228 1.00 0.00 N ATOM 608 CD2 HIS A 42 6.344 -5.337 -4.684 1.00 0.00 C ATOM 609 CE1 HIS A 42 8.098 -6.300 -3.787 1.00 0.00 C ATOM 610 NE2 HIS A 42 7.545 -5.130 -4.052 1.00 0.00 N ATOM 0 H HIS A 42 3.064 -5.746 -5.208 1.00 0.00 H new ATOM 0 HA HIS A 42 5.066 -6.430 -7.275 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.343 -7.723 -4.617 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.462 -8.418 -5.773 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.470 -8.252 -4.157 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.660 -4.574 -5.026 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.046 -6.454 -3.294 1.00 0.00 H new ATOM 618 N PRO A 43 3.317 -7.669 -8.551 1.00 0.00 N ATOM 619 CA PRO A 43 2.428 -8.522 -9.344 1.00 0.00 C ATOM 620 C PRO A 43 2.840 -9.990 -9.301 1.00 0.00 C ATOM 621 O PRO A 43 3.669 -10.435 -10.094 1.00 0.00 O ATOM 622 CB PRO A 43 2.576 -7.967 -10.763 1.00 0.00 C ATOM 623 CG PRO A 43 3.922 -7.329 -10.781 1.00 0.00 C ATOM 624 CD PRO A 43 4.143 -6.789 -9.395 1.00 0.00 C ATOM 0 HA PRO A 43 1.405 -8.503 -8.968 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.503 -8.760 -11.508 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.792 -7.244 -10.989 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.693 -8.052 -11.045 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.966 -6.531 -11.522 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.194 -6.830 -9.110 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.832 -5.747 -9.315 1.00 0.00 H new ATOM 632 N ALA A 44 2.257 -10.737 -8.369 1.00 0.00 N ATOM 633 CA ALA A 44 2.563 -12.154 -8.225 1.00 0.00 C ATOM 634 C ALA A 44 2.148 -12.935 -9.467 1.00 0.00 C ATOM 635 O ALA A 44 2.893 -13.784 -9.956 1.00 0.00 O ATOM 636 CB ALA A 44 1.875 -12.719 -6.990 1.00 0.00 C ATOM 0 H ALA A 44 1.570 -10.384 -7.703 1.00 0.00 H new ATOM 0 HA ALA A 44 3.642 -12.257 -8.107 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.112 -13.779 -6.894 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.223 -12.188 -6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.796 -12.596 -7.086 1.00 0.00 H new ATOM 642 N ASP A 45 0.955 -12.642 -9.973 1.00 0.00 N ATOM 643 CA ASP A 45 0.441 -13.317 -11.160 1.00 0.00 C ATOM 644 C ASP A 45 1.342 -13.060 -12.364 1.00 0.00 C ATOM 645 O ASP A 45 2.042 -12.049 -12.424 1.00 0.00 O ATOM 646 CB ASP A 45 -0.982 -12.848 -11.463 1.00 0.00 C ATOM 647 CG ASP A 45 -1.986 -13.346 -10.442 1.00 0.00 C ATOM 648 OD1 ASP A 45 -2.506 -14.468 -10.620 1.00 0.00 O ATOM 649 OD2 ASP A 45 -2.253 -12.615 -9.465 1.00 0.00 O ATOM 0 H ASP A 45 0.326 -11.942 -9.580 1.00 0.00 H new ATOM 0 HA ASP A 45 0.427 -14.389 -10.961 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.005 -11.759 -11.489 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.273 -13.196 -12.454 1.00 0.00 H new ATOM 654 N SER A 46 1.321 -13.983 -13.320 1.00 0.00 N ATOM 655 CA SER A 46 2.139 -13.859 -14.521 1.00 0.00 C ATOM 656 C SER A 46 1.469 -12.946 -15.543 1.00 0.00 C ATOM 657 O SER A 46 0.303 -12.578 -15.396 1.00 0.00 O ATOM 658 CB SER A 46 2.389 -15.237 -15.137 1.00 0.00 C ATOM 659 OG SER A 46 2.942 -16.129 -14.185 1.00 0.00 O ATOM 0 H SER A 46 0.746 -14.825 -13.286 1.00 0.00 H new ATOM 0 HA SER A 46 3.094 -13.417 -14.237 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.452 -15.643 -15.519 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.065 -15.142 -15.986 1.00 0.00 H new ATOM 0 HG SER A 46 3.091 -17.003 -14.603 1.00 0.00 H new ATOM 665 N THR A 47 2.216 -12.583 -16.581 1.00 0.00 N ATOM 666 CA THR A 47 1.697 -11.712 -17.628 1.00 0.00 C ATOM 667 C THR A 47 0.809 -10.618 -17.044 1.00 0.00 C ATOM 668 O THR A 47 -0.189 -10.228 -17.648 1.00 0.00 O ATOM 669 CB THR A 47 0.891 -12.507 -18.673 1.00 0.00 C ATOM 670 OG1 THR A 47 0.494 -11.646 -19.745 1.00 0.00 O ATOM 671 CG2 THR A 47 -0.339 -13.140 -18.040 1.00 0.00 C ATOM 0 H THR A 47 3.182 -12.879 -16.719 1.00 0.00 H new ATOM 0 HA THR A 47 2.559 -11.256 -18.115 1.00 0.00 H new ATOM 0 HB THR A 47 1.528 -13.301 -19.064 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.104 -10.825 -19.378 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.892 -13.696 -18.797 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.031 -13.818 -17.245 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.977 -12.360 -17.624 1.00 0.00 H new ATOM 679 N MET A 48 1.180 -10.128 -15.866 1.00 0.00 N ATOM 680 CA MET A 48 0.418 -9.077 -15.202 1.00 0.00 C ATOM 681 C MET A 48 1.227 -7.787 -15.120 1.00 0.00 C ATOM 682 O MET A 48 1.106 -7.028 -14.158 1.00 0.00 O ATOM 683 CB MET A 48 0.007 -9.525 -13.798 1.00 0.00 C ATOM 684 CG MET A 48 -1.111 -8.689 -13.196 1.00 0.00 C ATOM 685 SD MET A 48 -2.609 -8.707 -14.198 1.00 0.00 S ATOM 686 CE MET A 48 -3.863 -8.504 -12.936 1.00 0.00 C ATOM 0 H MET A 48 2.003 -10.442 -15.352 1.00 0.00 H new ATOM 0 HA MET A 48 -0.478 -8.885 -15.792 1.00 0.00 H new ATOM 0 HB2 MET A 48 -0.310 -10.567 -13.836 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.876 -9.480 -13.142 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.342 -9.062 -12.198 1.00 0.00 H new ATOM 0 HG3 MET A 48 -0.768 -7.661 -13.080 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.534 -9.363 -12.948 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.387 -8.430 -11.958 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.433 -7.596 -13.132 1.00 0.00 H new ATOM 696 N ILE A 49 2.052 -7.546 -16.133 1.00 0.00 N ATOM 697 CA ILE A 49 2.880 -6.347 -16.175 1.00 0.00 C ATOM 698 C ILE A 49 2.860 -5.713 -17.562 1.00 0.00 C ATOM 699 O ILE A 49 2.665 -6.398 -18.566 1.00 0.00 O ATOM 700 CB ILE A 49 4.337 -6.655 -15.785 1.00 0.00 C ATOM 701 CG1 ILE A 49 4.393 -7.280 -14.389 1.00 0.00 C ATOM 702 CG2 ILE A 49 5.179 -5.390 -15.839 1.00 0.00 C ATOM 703 CD1 ILE A 49 5.555 -8.230 -14.199 1.00 0.00 C ATOM 0 H ILE A 49 2.165 -8.165 -16.936 1.00 0.00 H new ATOM 0 HA ILE A 49 2.459 -5.648 -15.452 1.00 0.00 H new ATOM 0 HB ILE A 49 4.745 -7.370 -16.499 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.459 -6.485 -13.646 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.462 -7.815 -14.202 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.206 -5.625 -15.561 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.161 -4.984 -16.850 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.774 -4.654 -15.145 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.532 -8.635 -13.187 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.480 -9.045 -14.918 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.492 -7.695 -14.354 1.00 0.00 H new ATOM 715 N ASP A 50 3.064 -4.401 -17.610 1.00 0.00 N ATOM 716 CA ASP A 50 3.073 -3.674 -18.874 1.00 0.00 C ATOM 717 C ASP A 50 4.471 -3.155 -19.193 1.00 0.00 C ATOM 718 O ASP A 50 5.008 -2.305 -18.481 1.00 0.00 O ATOM 719 CB ASP A 50 2.082 -2.510 -18.823 1.00 0.00 C ATOM 720 CG ASP A 50 1.943 -1.810 -20.161 1.00 0.00 C ATOM 721 OD1 ASP A 50 1.949 -2.506 -21.199 1.00 0.00 O ATOM 722 OD2 ASP A 50 1.826 -0.567 -20.171 1.00 0.00 O ATOM 0 H ASP A 50 3.225 -3.819 -16.788 1.00 0.00 H new ATOM 0 HA ASP A 50 2.773 -4.363 -19.664 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.107 -2.880 -18.507 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.409 -1.791 -18.072 1.00 0.00 H new ATOM 727 N THR A 51 5.059 -3.673 -20.267 1.00 0.00 N ATOM 728 CA THR A 51 6.395 -3.265 -20.679 1.00 0.00 C ATOM 729 C THR A 51 6.377 -1.876 -21.306 1.00 0.00 C ATOM 730 O THR A 51 7.410 -1.366 -21.740 1.00 0.00 O ATOM 731 CB THR A 51 7.003 -4.261 -21.684 1.00 0.00 C ATOM 732 OG1 THR A 51 6.211 -4.298 -22.877 1.00 0.00 O ATOM 733 CG2 THR A 51 7.085 -5.656 -21.081 1.00 0.00 C ATOM 0 H THR A 51 4.630 -4.377 -20.867 1.00 0.00 H new ATOM 0 HA THR A 51 7.010 -3.247 -19.779 1.00 0.00 H new ATOM 0 HB THR A 51 8.012 -3.927 -21.928 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.605 -4.932 -23.512 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.518 -6.342 -21.809 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.711 -5.631 -20.189 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.085 -5.996 -20.812 1.00 0.00 H new ATOM 741 N SER A 52 5.196 -1.267 -21.350 1.00 0.00 N ATOM 742 CA SER A 52 5.043 0.063 -21.927 1.00 0.00 C ATOM 743 C SER A 52 5.068 1.134 -20.840 1.00 0.00 C ATOM 744 O SER A 52 5.666 2.196 -21.013 1.00 0.00 O ATOM 745 CB SER A 52 3.735 0.152 -22.716 1.00 0.00 C ATOM 746 OG SER A 52 3.570 1.439 -23.287 1.00 0.00 O ATOM 0 H SER A 52 4.331 -1.674 -20.993 1.00 0.00 H new ATOM 0 HA SER A 52 5.880 0.237 -22.603 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.730 -0.602 -23.503 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.894 -0.068 -22.058 1.00 0.00 H new ATOM 0 HG SER A 52 2.728 1.469 -23.787 1.00 0.00 H new ATOM 752 N ASP A 53 4.415 0.845 -19.720 1.00 0.00 N ATOM 753 CA ASP A 53 4.362 1.782 -18.603 1.00 0.00 C ATOM 754 C ASP A 53 4.825 1.113 -17.312 1.00 0.00 C ATOM 755 O ASP A 53 5.326 1.775 -16.404 1.00 0.00 O ATOM 756 CB ASP A 53 2.943 2.324 -18.431 1.00 0.00 C ATOM 757 CG ASP A 53 2.655 3.495 -19.351 1.00 0.00 C ATOM 758 OD1 ASP A 53 3.228 4.581 -19.126 1.00 0.00 O ATOM 759 OD2 ASP A 53 1.856 3.324 -20.296 1.00 0.00 O ATOM 0 H ASP A 53 3.915 -0.030 -19.561 1.00 0.00 H new ATOM 0 HA ASP A 53 5.034 2.611 -18.823 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.226 1.527 -18.627 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.799 2.635 -17.396 1.00 0.00 H new ATOM 764 N ASN A 54 4.651 -0.202 -17.238 1.00 0.00 N ATOM 765 CA ASN A 54 5.050 -0.960 -16.057 1.00 0.00 C ATOM 766 C ASN A 54 4.152 -0.626 -14.868 1.00 0.00 C ATOM 767 O ASN A 54 4.617 -0.533 -13.732 1.00 0.00 O ATOM 768 CB ASN A 54 6.510 -0.667 -15.705 1.00 0.00 C ATOM 769 CG ASN A 54 7.190 -1.845 -15.035 1.00 0.00 C ATOM 770 OD1 ASN A 54 7.005 -2.994 -15.436 1.00 0.00 O ATOM 771 ND2 ASN A 54 7.983 -1.563 -14.007 1.00 0.00 N ATOM 0 H ASN A 54 4.237 -0.765 -17.981 1.00 0.00 H new ATOM 0 HA ASN A 54 4.944 -2.021 -16.284 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.054 -0.405 -16.612 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.555 0.199 -15.045 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.468 -2.314 -13.516 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.107 -0.595 -13.709 1.00 0.00 H new ATOM 778 N THR A 55 2.863 -0.447 -15.139 1.00 0.00 N ATOM 779 CA THR A 55 1.901 -0.124 -14.094 1.00 0.00 C ATOM 780 C THR A 55 0.676 -1.029 -14.174 1.00 0.00 C ATOM 781 O THR A 55 0.236 -1.398 -15.263 1.00 0.00 O ATOM 782 CB THR A 55 1.446 1.345 -14.184 1.00 0.00 C ATOM 783 OG1 THR A 55 0.975 1.632 -15.505 1.00 0.00 O ATOM 784 CG2 THR A 55 2.587 2.287 -13.831 1.00 0.00 C ATOM 0 H THR A 55 2.462 -0.520 -16.074 1.00 0.00 H new ATOM 0 HA THR A 55 2.405 -0.283 -13.141 1.00 0.00 H new ATOM 0 HB THR A 55 0.637 1.496 -13.470 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.686 2.567 -15.553 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.242 3.319 -13.901 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.924 2.086 -12.814 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.414 2.133 -14.524 1.00 0.00 H new ATOM 792 N VAL A 56 0.130 -1.382 -13.015 1.00 0.00 N ATOM 793 CA VAL A 56 -1.045 -2.243 -12.955 1.00 0.00 C ATOM 794 C VAL A 56 -2.262 -1.477 -12.447 1.00 0.00 C ATOM 795 O VAL A 56 -2.140 -0.571 -11.623 1.00 0.00 O ATOM 796 CB VAL A 56 -0.803 -3.461 -12.044 1.00 0.00 C ATOM 797 CG1 VAL A 56 0.286 -4.352 -12.623 1.00 0.00 C ATOM 798 CG2 VAL A 56 -0.442 -3.010 -10.637 1.00 0.00 C ATOM 0 H VAL A 56 0.482 -1.085 -12.105 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.235 -2.590 -13.971 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.724 -4.042 -11.990 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.444 -5.207 -11.966 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.017 -4.703 -13.609 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.213 -3.785 -12.709 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.274 -3.883 -10.007 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.465 -2.407 -10.670 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.258 -2.416 -10.225 1.00 0.00 H new ATOM 808 N THR A 57 -3.437 -1.847 -12.945 1.00 0.00 N ATOM 809 CA THR A 57 -4.677 -1.195 -12.543 1.00 0.00 C ATOM 810 C THR A 57 -5.021 -1.515 -11.093 1.00 0.00 C ATOM 811 O THR A 57 -4.617 -2.549 -10.562 1.00 0.00 O ATOM 812 CB THR A 57 -5.853 -1.620 -13.443 1.00 0.00 C ATOM 813 OG1 THR A 57 -5.424 -1.693 -14.808 1.00 0.00 O ATOM 814 CG2 THR A 57 -7.009 -0.639 -13.322 1.00 0.00 C ATOM 0 H THR A 57 -3.556 -2.595 -13.628 1.00 0.00 H new ATOM 0 HA THR A 57 -4.518 -0.122 -12.648 1.00 0.00 H new ATOM 0 HB THR A 57 -6.195 -2.602 -13.117 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.177 -1.965 -15.373 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.827 -0.960 -13.966 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.352 -0.607 -12.288 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.677 0.354 -13.625 1.00 0.00 H new ATOM 822 N VAL A 58 -5.771 -0.620 -10.457 1.00 0.00 N ATOM 823 CA VAL A 58 -6.171 -0.808 -9.067 1.00 0.00 C ATOM 824 C VAL A 58 -7.684 -0.959 -8.947 1.00 0.00 C ATOM 825 O VAL A 58 -8.439 -0.049 -9.288 1.00 0.00 O ATOM 826 CB VAL A 58 -5.712 0.369 -8.187 1.00 0.00 C ATOM 827 CG1 VAL A 58 -6.177 0.176 -6.751 1.00 0.00 C ATOM 828 CG2 VAL A 58 -4.200 0.524 -8.250 1.00 0.00 C ATOM 0 H VAL A 58 -6.114 0.242 -10.882 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.689 -1.721 -8.719 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.164 1.284 -8.570 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.843 1.018 -6.144 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.265 0.119 -6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.756 -0.747 -6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.894 1.361 -7.622 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.725 -0.390 -7.894 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.896 0.713 -9.280 1.00 0.00 H new ATOM 838 N CYS A 59 -8.120 -2.116 -8.458 1.00 0.00 N ATOM 839 CA CYS A 59 -9.542 -2.388 -8.292 1.00 0.00 C ATOM 840 C CYS A 59 -10.209 -1.303 -7.452 1.00 0.00 C ATOM 841 O CYS A 59 -9.854 -1.095 -6.292 1.00 0.00 O ATOM 842 CB CYS A 59 -9.748 -3.755 -7.636 1.00 0.00 C ATOM 843 SG CYS A 59 -11.468 -4.352 -7.685 1.00 0.00 S ATOM 0 H CYS A 59 -7.508 -2.880 -8.170 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.003 -2.393 -9.280 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.107 -4.484 -8.132 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.423 -3.700 -6.597 1.00 0.00 H new ATOM 848 N MET A 60 -11.178 -0.613 -8.047 1.00 0.00 N ATOM 849 CA MET A 60 -11.895 0.450 -7.353 1.00 0.00 C ATOM 850 C MET A 60 -12.780 -0.122 -6.249 1.00 0.00 C ATOM 851 O MET A 60 -12.701 0.302 -5.096 1.00 0.00 O ATOM 852 CB MET A 60 -12.746 1.249 -8.341 1.00 0.00 C ATOM 853 CG MET A 60 -13.374 2.494 -7.735 1.00 0.00 C ATOM 854 SD MET A 60 -12.321 3.950 -7.892 1.00 0.00 S ATOM 855 CE MET A 60 -11.260 3.756 -6.463 1.00 0.00 C ATOM 0 H MET A 60 -11.484 -0.771 -9.007 1.00 0.00 H new ATOM 0 HA MET A 60 -11.159 1.113 -6.898 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.126 1.541 -9.189 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.536 0.606 -8.730 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.330 2.688 -8.222 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.584 2.314 -6.681 1.00 0.00 H new ATOM 0 HE1 MET A 60 -11.021 4.737 -6.051 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.772 3.160 -5.708 1.00 0.00 H new ATOM 0 HE3 MET A 60 -10.340 3.253 -6.759 1.00 0.00 H new ATOM 865 N ASP A 61 -13.621 -1.085 -6.610 1.00 0.00 N ATOM 866 CA ASP A 61 -14.519 -1.715 -5.650 1.00 0.00 C ATOM 867 C ASP A 61 -13.757 -2.171 -4.410 1.00 0.00 C ATOM 868 O ASP A 61 -14.033 -1.720 -3.298 1.00 0.00 O ATOM 869 CB ASP A 61 -15.232 -2.906 -6.292 1.00 0.00 C ATOM 870 CG ASP A 61 -16.371 -2.480 -7.197 1.00 0.00 C ATOM 871 OD1 ASP A 61 -16.167 -1.558 -8.014 1.00 0.00 O ATOM 872 OD2 ASP A 61 -17.468 -3.068 -7.088 1.00 0.00 O ATOM 0 H ASP A 61 -13.699 -1.446 -7.561 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.262 -0.977 -5.347 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.513 -3.489 -6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.618 -3.559 -5.510 1.00 0.00 H new ATOM 877 N TYR A 62 -12.797 -3.067 -4.608 1.00 0.00 N ATOM 878 CA TYR A 62 -11.997 -3.587 -3.506 1.00 0.00 C ATOM 879 C TYR A 62 -11.739 -2.504 -2.462 1.00 0.00 C ATOM 880 O TYR A 62 -12.017 -2.690 -1.277 1.00 0.00 O ATOM 881 CB TYR A 62 -10.668 -4.135 -4.027 1.00 0.00 C ATOM 882 CG TYR A 62 -9.756 -4.652 -2.937 1.00 0.00 C ATOM 883 CD1 TYR A 62 -10.209 -5.580 -2.007 1.00 0.00 C ATOM 884 CD2 TYR A 62 -8.442 -4.213 -2.837 1.00 0.00 C ATOM 885 CE1 TYR A 62 -9.380 -6.054 -1.009 1.00 0.00 C ATOM 886 CE2 TYR A 62 -7.605 -4.682 -1.842 1.00 0.00 C ATOM 887 CZ TYR A 62 -8.079 -5.602 -0.931 1.00 0.00 C ATOM 888 OH TYR A 62 -7.250 -6.073 0.061 1.00 0.00 O ATOM 0 H TYR A 62 -12.554 -3.449 -5.522 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.556 -4.395 -3.035 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -10.869 -4.941 -4.733 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.152 -3.349 -4.578 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.227 -5.937 -2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.068 -3.493 -3.549 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.748 -6.774 -0.294 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.586 -4.330 -1.779 1.00 0.00 H new ATOM 0 HH TYR A 62 -7.083 -5.361 0.713 1.00 0.00 H new ATOM 898 N ILE A 63 -11.206 -1.373 -2.912 1.00 0.00 N ATOM 899 CA ILE A 63 -10.912 -0.260 -2.019 1.00 0.00 C ATOM 900 C ILE A 63 -12.115 0.074 -1.142 1.00 0.00 C ATOM 901 O ILE A 63 -11.973 0.334 0.053 1.00 0.00 O ATOM 902 CB ILE A 63 -10.499 0.999 -2.805 1.00 0.00 C ATOM 903 CG1 ILE A 63 -9.249 0.716 -3.641 1.00 0.00 C ATOM 904 CG2 ILE A 63 -10.255 2.161 -1.854 1.00 0.00 C ATOM 905 CD1 ILE A 63 -8.165 -0.016 -2.880 1.00 0.00 C ATOM 0 H ILE A 63 -10.969 -1.204 -3.890 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.081 -0.573 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.311 1.272 -3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.531 0.126 -4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.848 1.660 -4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.964 3.043 -2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.168 2.374 -1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.458 1.900 -1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.310 -0.183 -3.535 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.855 0.582 -2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.549 -0.976 -2.533 1.00 0.00 H new ATOM 917 N LYS A 64 -13.299 0.064 -1.744 1.00 0.00 N ATOM 918 CA LYS A 64 -14.529 0.362 -1.019 1.00 0.00 C ATOM 919 C LYS A 64 -14.752 -0.640 0.109 1.00 0.00 C ATOM 920 O LYS A 64 -15.438 -0.346 1.087 1.00 0.00 O ATOM 921 CB LYS A 64 -15.724 0.347 -1.974 1.00 0.00 C ATOM 922 CG LYS A 64 -15.681 1.447 -3.020 1.00 0.00 C ATOM 923 CD LYS A 64 -15.851 2.820 -2.393 1.00 0.00 C ATOM 924 CE LYS A 64 -17.265 3.024 -1.872 1.00 0.00 C ATOM 925 NZ LYS A 64 -17.422 2.519 -0.480 1.00 0.00 N ATOM 0 H LYS A 64 -13.433 -0.147 -2.733 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.433 1.356 -0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.764 -0.619 -2.477 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.642 0.444 -1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.732 1.405 -3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.468 1.282 -3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.140 2.938 -1.575 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.619 3.589 -3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.514 4.085 -1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.970 2.511 -2.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.034 1.678 -0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.489 2.267 -0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.852 3.259 0.111 1.00 0.00 H new ATOM 939 N GLY A 65 -14.168 -1.826 -0.034 1.00 0.00 N ATOM 940 CA GLY A 65 -14.314 -2.853 0.981 1.00 0.00 C ATOM 941 C GLY A 65 -15.026 -4.086 0.460 1.00 0.00 C ATOM 942 O GLY A 65 -14.909 -5.168 1.035 1.00 0.00 O ATOM 0 H GLY A 65 -13.596 -2.094 -0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.329 -3.136 1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.869 -2.447 1.827 1.00 0.00 H new ATOM 946 N ARG A 66 -15.767 -3.922 -0.631 1.00 0.00 N ATOM 947 CA ARG A 66 -16.503 -5.030 -1.228 1.00 0.00 C ATOM 948 C ARG A 66 -16.213 -5.134 -2.722 1.00 0.00 C ATOM 949 O ARG A 66 -16.700 -4.329 -3.517 1.00 0.00 O ATOM 950 CB ARG A 66 -18.006 -4.854 -1.000 1.00 0.00 C ATOM 951 CG ARG A 66 -18.561 -3.561 -1.576 1.00 0.00 C ATOM 952 CD ARG A 66 -19.953 -3.265 -1.039 1.00 0.00 C ATOM 953 NE ARG A 66 -20.263 -1.839 -1.078 1.00 0.00 N ATOM 954 CZ ARG A 66 -20.680 -1.207 -2.170 1.00 0.00 C ATOM 955 NH1 ARG A 66 -20.837 -1.873 -3.306 1.00 0.00 N ATOM 956 NH2 ARG A 66 -20.942 0.093 -2.126 1.00 0.00 N ATOM 0 H ARG A 66 -15.874 -3.033 -1.119 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.175 -5.952 -0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.534 -5.697 -1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.208 -4.882 0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.892 -2.736 -1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.596 -3.631 -2.663 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -20.691 -3.813 -1.625 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -20.030 -3.625 -0.013 1.00 0.00 H new ATOM 0 HE ARG A 66 -20.154 -1.298 -0.220 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -20.638 -2.873 -3.343 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -21.157 -1.386 -4.143 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -20.823 0.608 -1.254 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -21.262 0.577 -2.965 1.00 0.00 H new ATOM 970 N CYS A 67 -15.417 -6.129 -3.098 1.00 0.00 N ATOM 971 CA CYS A 67 -15.061 -6.338 -4.496 1.00 0.00 C ATOM 972 C CYS A 67 -15.763 -7.571 -5.058 1.00 0.00 C ATOM 973 O CYS A 67 -15.305 -8.698 -4.872 1.00 0.00 O ATOM 974 CB CYS A 67 -13.545 -6.491 -4.640 1.00 0.00 C ATOM 975 SG CYS A 67 -13.029 -7.406 -6.129 1.00 0.00 S ATOM 0 H CYS A 67 -15.006 -6.804 -2.453 1.00 0.00 H new ATOM 0 HA CYS A 67 -15.388 -5.466 -5.063 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.091 -5.500 -4.659 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -13.157 -7.003 -3.759 1.00 0.00 H new ATOM 980 N MET A 68 -16.878 -7.347 -5.746 1.00 0.00 N ATOM 981 CA MET A 68 -17.643 -8.439 -6.337 1.00 0.00 C ATOM 982 C MET A 68 -17.631 -8.350 -7.860 1.00 0.00 C ATOM 983 O MET A 68 -18.499 -8.908 -8.530 1.00 0.00 O ATOM 984 CB MET A 68 -19.085 -8.416 -5.825 1.00 0.00 C ATOM 985 CG MET A 68 -19.205 -8.697 -4.336 1.00 0.00 C ATOM 986 SD MET A 68 -19.044 -10.450 -3.945 1.00 0.00 S ATOM 987 CE MET A 68 -20.741 -10.994 -4.122 1.00 0.00 C ATOM 0 H MET A 68 -17.272 -6.420 -5.908 1.00 0.00 H new ATOM 0 HA MET A 68 -17.175 -9.378 -6.042 1.00 0.00 H new ATOM 0 HB2 MET A 68 -19.522 -7.441 -6.039 1.00 0.00 H new ATOM 0 HB3 MET A 68 -19.669 -9.155 -6.374 1.00 0.00 H new ATOM 0 HG2 MET A 68 -18.437 -8.137 -3.802 1.00 0.00 H new ATOM 0 HG3 MET A 68 -20.169 -8.336 -3.979 1.00 0.00 H new ATOM 0 HE1 MET A 68 -20.805 -12.062 -3.912 1.00 0.00 H new ATOM 0 HE2 MET A 68 -21.373 -10.448 -3.422 1.00 0.00 H new ATOM 0 HE3 MET A 68 -21.080 -10.804 -5.141 1.00 0.00 H new ATOM 997 N ARG A 69 -16.642 -7.645 -8.399 1.00 0.00 N ATOM 998 CA ARG A 69 -16.518 -7.482 -9.842 1.00 0.00 C ATOM 999 C ARG A 69 -16.496 -8.838 -10.542 1.00 0.00 C ATOM 1000 O ARG A 69 -15.470 -9.517 -10.568 1.00 0.00 O ATOM 1001 CB ARG A 69 -15.248 -6.701 -10.182 1.00 0.00 C ATOM 1002 CG ARG A 69 -15.446 -5.194 -10.200 1.00 0.00 C ATOM 1003 CD ARG A 69 -14.300 -4.489 -10.908 1.00 0.00 C ATOM 1004 NE ARG A 69 -14.661 -3.136 -11.321 1.00 0.00 N ATOM 1005 CZ ARG A 69 -14.034 -2.469 -12.284 1.00 0.00 C ATOM 1006 NH1 ARG A 69 -13.020 -3.028 -12.930 1.00 0.00 N ATOM 1007 NH2 ARG A 69 -14.421 -1.241 -12.602 1.00 0.00 N ATOM 0 H ARG A 69 -15.915 -7.177 -7.858 1.00 0.00 H new ATOM 0 HA ARG A 69 -17.385 -6.923 -10.195 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -14.474 -6.949 -9.456 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -14.884 -7.023 -11.158 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -16.385 -4.955 -10.699 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.526 -4.824 -9.178 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.436 -4.447 -10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.003 -5.068 -11.783 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.437 -2.678 -10.844 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -12.720 -3.972 -12.688 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.540 -2.514 -13.669 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -15.201 -0.808 -12.107 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.939 -0.730 -13.341 1.00 0.00 H new ATOM 1021 N GLU A 70 -17.635 -9.225 -11.108 1.00 0.00 N ATOM 1022 CA GLU A 70 -17.746 -10.500 -11.807 1.00 0.00 C ATOM 1023 C GLU A 70 -16.433 -10.858 -12.498 1.00 0.00 C ATOM 1024 O GLU A 70 -16.050 -10.235 -13.488 1.00 0.00 O ATOM 1025 CB GLU A 70 -18.878 -10.446 -12.835 1.00 0.00 C ATOM 1026 CG GLU A 70 -20.219 -10.908 -12.289 1.00 0.00 C ATOM 1027 CD GLU A 70 -21.299 -10.949 -13.352 1.00 0.00 C ATOM 1028 OE1 GLU A 70 -21.468 -9.937 -14.065 1.00 0.00 O ATOM 1029 OE2 GLU A 70 -21.975 -11.992 -13.472 1.00 0.00 O ATOM 0 H GLU A 70 -18.493 -8.674 -11.096 1.00 0.00 H new ATOM 0 HA GLU A 70 -17.970 -11.271 -11.070 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -18.977 -9.424 -13.201 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -18.610 -11.066 -13.690 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -20.107 -11.900 -11.852 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -20.530 -10.240 -11.486 1.00 0.00 H new ATOM 1036 N LYS A 71 -15.748 -11.865 -11.967 1.00 0.00 N ATOM 1037 CA LYS A 71 -14.479 -12.308 -12.531 1.00 0.00 C ATOM 1038 C LYS A 71 -13.441 -11.191 -12.480 1.00 0.00 C ATOM 1039 O LYS A 71 -12.857 -10.826 -13.501 1.00 0.00 O ATOM 1040 CB LYS A 71 -14.673 -12.773 -13.976 1.00 0.00 C ATOM 1041 CG LYS A 71 -15.698 -13.884 -14.125 1.00 0.00 C ATOM 1042 CD LYS A 71 -15.555 -14.599 -15.457 1.00 0.00 C ATOM 1043 CE LYS A 71 -14.344 -15.519 -15.469 1.00 0.00 C ATOM 1044 NZ LYS A 71 -14.634 -16.827 -14.820 1.00 0.00 N ATOM 0 H LYS A 71 -16.051 -12.390 -11.146 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.117 -13.144 -11.933 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.980 -11.922 -14.584 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.717 -13.117 -14.370 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.580 -14.600 -13.312 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.702 -13.468 -14.040 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -16.456 -15.179 -15.658 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.463 -13.865 -16.257 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.026 -15.687 -16.498 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.515 -15.034 -14.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.784 -17.425 -14.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.913 -16.669 -13.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.408 -17.302 -15.327 1.00 0.00 H new ATOM 1058 N CYS A 72 -13.216 -10.652 -11.287 1.00 0.00 N ATOM 1059 CA CYS A 72 -12.249 -9.577 -11.103 1.00 0.00 C ATOM 1060 C CYS A 72 -10.847 -10.032 -11.498 1.00 0.00 C ATOM 1061 O CYS A 72 -10.382 -11.089 -11.070 1.00 0.00 O ATOM 1062 CB CYS A 72 -12.252 -9.104 -9.648 1.00 0.00 C ATOM 1063 SG CYS A 72 -11.277 -7.593 -9.355 1.00 0.00 S ATOM 0 H CYS A 72 -13.691 -10.942 -10.432 1.00 0.00 H new ATOM 0 HA CYS A 72 -12.538 -8.748 -11.749 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -13.281 -8.925 -9.337 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -11.863 -9.903 -9.017 1.00 0.00 H new ATOM 1068 N LYS A 73 -10.179 -9.228 -12.318 1.00 0.00 N ATOM 1069 CA LYS A 73 -8.831 -9.546 -12.772 1.00 0.00 C ATOM 1070 C LYS A 73 -7.877 -8.388 -12.497 1.00 0.00 C ATOM 1071 O LYS A 73 -6.793 -8.312 -13.076 1.00 0.00 O ATOM 1072 CB LYS A 73 -8.837 -9.872 -14.267 1.00 0.00 C ATOM 1073 CG LYS A 73 -9.642 -8.890 -15.100 1.00 0.00 C ATOM 1074 CD LYS A 73 -8.797 -7.705 -15.537 1.00 0.00 C ATOM 1075 CE LYS A 73 -8.122 -7.965 -16.874 1.00 0.00 C ATOM 1076 NZ LYS A 73 -6.783 -8.594 -16.707 1.00 0.00 N ATOM 0 H LYS A 73 -10.550 -8.350 -12.682 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.485 -10.419 -12.218 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.810 -9.888 -14.631 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.241 -10.874 -14.410 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.040 -9.398 -15.979 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.496 -8.536 -14.522 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.425 -6.817 -15.612 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.040 -7.498 -14.780 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.755 -8.614 -17.480 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.017 -7.025 -17.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.181 -8.350 -17.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.342 -8.245 -15.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.889 -9.627 -16.653 1.00 0.00 H new ATOM 1090 N TYR A 74 -8.287 -7.488 -11.610 1.00 0.00 N ATOM 1091 CA TYR A 74 -7.469 -6.333 -11.259 1.00 0.00 C ATOM 1092 C TYR A 74 -6.607 -6.627 -10.035 1.00 0.00 C ATOM 1093 O TYR A 74 -6.934 -7.495 -9.225 1.00 0.00 O ATOM 1094 CB TYR A 74 -8.356 -5.116 -10.992 1.00 0.00 C ATOM 1095 CG TYR A 74 -9.229 -4.734 -12.166 1.00 0.00 C ATOM 1096 CD1 TYR A 74 -10.295 -5.536 -12.554 1.00 0.00 C ATOM 1097 CD2 TYR A 74 -8.988 -3.571 -12.887 1.00 0.00 C ATOM 1098 CE1 TYR A 74 -11.095 -5.191 -13.626 1.00 0.00 C ATOM 1099 CE2 TYR A 74 -9.783 -3.217 -13.959 1.00 0.00 C ATOM 1100 CZ TYR A 74 -10.835 -4.031 -14.325 1.00 0.00 C ATOM 1101 OH TYR A 74 -11.629 -3.683 -15.394 1.00 0.00 O ATOM 0 H TYR A 74 -9.181 -7.536 -11.121 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.811 -6.117 -12.100 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.990 -5.321 -10.130 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.725 -4.268 -10.728 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.502 -6.445 -12.008 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.164 -2.933 -12.604 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.919 -5.826 -13.915 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.583 -2.309 -14.508 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.312 -2.838 -15.776 1.00 0.00 H new ATOM 1111 N PHE A 75 -5.504 -5.897 -9.906 1.00 0.00 N ATOM 1112 CA PHE A 75 -4.594 -6.078 -8.782 1.00 0.00 C ATOM 1113 C PHE A 75 -5.209 -5.541 -7.492 1.00 0.00 C ATOM 1114 O PHE A 75 -5.924 -4.538 -7.503 1.00 0.00 O ATOM 1115 CB PHE A 75 -3.263 -5.374 -9.057 1.00 0.00 C ATOM 1116 CG PHE A 75 -2.349 -5.335 -7.866 1.00 0.00 C ATOM 1117 CD1 PHE A 75 -1.509 -6.400 -7.585 1.00 0.00 C ATOM 1118 CD2 PHE A 75 -2.330 -4.232 -7.027 1.00 0.00 C ATOM 1119 CE1 PHE A 75 -0.665 -6.366 -6.490 1.00 0.00 C ATOM 1120 CE2 PHE A 75 -1.489 -4.193 -5.931 1.00 0.00 C ATOM 1121 CZ PHE A 75 -0.657 -5.261 -5.662 1.00 0.00 C ATOM 0 H PHE A 75 -5.219 -5.174 -10.567 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.414 -7.146 -8.661 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.756 -5.881 -9.878 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.462 -4.354 -9.386 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.513 -7.267 -8.229 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.979 -3.394 -7.232 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.013 -7.202 -6.283 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.483 -3.327 -5.285 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.001 -5.232 -4.805 1.00 0.00 H new ATOM 1131 N HIS A 76 -4.926 -6.216 -6.383 1.00 0.00 N ATOM 1132 CA HIS A 76 -5.450 -5.808 -5.085 1.00 0.00 C ATOM 1133 C HIS A 76 -4.317 -5.437 -4.133 1.00 0.00 C ATOM 1134 O HIS A 76 -3.576 -6.292 -3.647 1.00 0.00 O ATOM 1135 CB HIS A 76 -6.295 -6.928 -4.477 1.00 0.00 C ATOM 1136 CG HIS A 76 -7.685 -6.998 -5.032 1.00 0.00 C ATOM 1137 ND1 HIS A 76 -8.749 -7.528 -4.333 1.00 0.00 N ATOM 1138 CD2 HIS A 76 -8.183 -6.599 -6.226 1.00 0.00 C ATOM 1139 CE1 HIS A 76 -9.840 -7.454 -5.074 1.00 0.00 C ATOM 1140 NE2 HIS A 76 -9.524 -6.893 -6.227 1.00 0.00 N ATOM 0 H HIS A 76 -4.337 -7.048 -6.357 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.078 -4.929 -5.235 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.796 -7.882 -4.647 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.350 -6.785 -3.398 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -8.701 -7.916 -3.391 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -7.628 -6.136 -7.029 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -10.824 -7.795 -4.786 1.00 0.00 H new ATOM 1148 N PRO A 77 -4.176 -4.131 -3.860 1.00 0.00 N ATOM 1149 CA PRO A 77 -3.135 -3.617 -2.965 1.00 0.00 C ATOM 1150 C PRO A 77 -3.384 -3.995 -1.509 1.00 0.00 C ATOM 1151 O PRO A 77 -4.497 -4.345 -1.115 1.00 0.00 O ATOM 1152 CB PRO A 77 -3.228 -2.100 -3.147 1.00 0.00 C ATOM 1153 CG PRO A 77 -4.631 -1.856 -3.586 1.00 0.00 C ATOM 1154 CD PRO A 77 -5.023 -3.056 -4.404 1.00 0.00 C ATOM 0 HA PRO A 77 -2.154 -4.029 -3.202 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.007 -1.576 -2.217 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.513 -1.746 -3.890 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.293 -1.735 -2.728 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.702 -0.942 -4.175 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.083 -3.286 -4.297 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.837 -2.896 -5.466 1.00 0.00 H new ATOM 1162 N PRO A 78 -2.325 -3.923 -0.689 1.00 0.00 N ATOM 1163 CA PRO A 78 -2.405 -4.253 0.737 1.00 0.00 C ATOM 1164 C PRO A 78 -3.209 -3.226 1.526 1.00 0.00 C ATOM 1165 O PRO A 78 -3.716 -2.255 0.964 1.00 0.00 O ATOM 1166 CB PRO A 78 -0.941 -4.245 1.185 1.00 0.00 C ATOM 1167 CG PRO A 78 -0.255 -3.340 0.222 1.00 0.00 C ATOM 1168 CD PRO A 78 -0.969 -3.514 -1.090 1.00 0.00 C ATOM 0 HA PRO A 78 -2.913 -5.202 0.908 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.842 -3.882 2.208 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.514 -5.247 1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.303 -2.304 0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.800 -3.597 0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.982 -2.589 -1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.489 -4.270 -1.712 1.00 0.00 H new ATOM 1176 N ALA A 79 -3.322 -3.445 2.832 1.00 0.00 N ATOM 1177 CA ALA A 79 -4.063 -2.537 3.698 1.00 0.00 C ATOM 1178 C ALA A 79 -3.474 -1.131 3.651 1.00 0.00 C ATOM 1179 O ALA A 79 -4.143 -0.180 3.246 1.00 0.00 O ATOM 1180 CB ALA A 79 -4.072 -3.059 5.127 1.00 0.00 C ATOM 0 H ALA A 79 -2.909 -4.244 3.313 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.090 -2.486 3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.629 -2.370 5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.546 -4.040 5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.048 -3.141 5.491 1.00 0.00 H new ATOM 1186 N HIS A 80 -2.218 -1.006 4.068 1.00 0.00 N ATOM 1187 CA HIS A 80 -1.538 0.285 4.073 1.00 0.00 C ATOM 1188 C HIS A 80 -1.776 1.029 2.763 1.00 0.00 C ATOM 1189 O HIS A 80 -2.288 2.149 2.757 1.00 0.00 O ATOM 1190 CB HIS A 80 -0.038 0.094 4.301 1.00 0.00 C ATOM 1191 CG HIS A 80 0.598 -0.857 3.335 1.00 0.00 C ATOM 1192 ND1 HIS A 80 1.308 -0.629 2.205 1.00 0.00 N flip ATOM 1193 CD2 HIS A 80 0.539 -2.227 3.479 1.00 0.00 C flip ATOM 1194 CE1 HIS A 80 1.663 -1.852 1.693 1.00 0.00 C flip ATOM 1195 NE2 HIS A 80 1.187 -2.800 2.480 1.00 0.00 N flip ATOM 0 H HIS A 80 -1.650 -1.783 4.407 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.948 0.881 4.888 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.459 1.061 4.226 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.124 -0.270 5.316 1.00 0.00 H new ATOM 0 HD1 HIS A 80 1.537 0.282 1.808 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.041 -2.750 4.282 1.00 0.00 H new ATOM 0 HE1 HIS A 80 2.238 -2.013 0.793 1.00 0.00 H new ATOM 1203 N LEU A 81 -1.400 0.400 1.655 1.00 0.00 N ATOM 1204 CA LEU A 81 -1.571 1.003 0.337 1.00 0.00 C ATOM 1205 C LEU A 81 -3.034 1.356 0.086 1.00 0.00 C ATOM 1206 O LEU A 81 -3.359 2.497 -0.239 1.00 0.00 O ATOM 1207 CB LEU A 81 -1.070 0.051 -0.750 1.00 0.00 C ATOM 1208 CG LEU A 81 0.437 0.060 -1.009 1.00 0.00 C ATOM 1209 CD1 LEU A 81 0.823 -1.064 -1.957 1.00 0.00 C ATOM 1210 CD2 LEU A 81 0.873 1.406 -1.569 1.00 0.00 C ATOM 0 H LEU A 81 -0.975 -0.527 1.643 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.984 1.921 0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.366 -0.963 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.580 0.295 -1.682 1.00 0.00 H new ATOM 0 HG LEU A 81 0.950 -0.101 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.899 -1.041 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.546 -2.022 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.301 -0.936 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.948 1.395 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.351 1.596 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.632 2.193 -0.854 1.00 0.00 H new ATOM 1222 N GLN A 82 -3.910 0.369 0.241 1.00 0.00 N ATOM 1223 CA GLN A 82 -5.338 0.576 0.032 1.00 0.00 C ATOM 1224 C GLN A 82 -5.765 1.957 0.519 1.00 0.00 C ATOM 1225 O GLN A 82 -6.572 2.630 -0.122 1.00 0.00 O ATOM 1226 CB GLN A 82 -6.144 -0.504 0.757 1.00 0.00 C ATOM 1227 CG GLN A 82 -6.456 -1.713 -0.109 1.00 0.00 C ATOM 1228 CD GLN A 82 -7.550 -2.584 0.477 1.00 0.00 C ATOM 1229 OE1 GLN A 82 -7.169 -3.746 0.994 1.00 0.00 O flip ATOM 1230 NE2 GLN A 82 -8.725 -2.216 0.466 1.00 0.00 N flip ATOM 0 H GLN A 82 -3.656 -0.581 0.510 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.535 0.510 -1.038 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.589 -0.831 1.637 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.079 -0.071 1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.757 -1.377 -1.101 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.551 -2.308 -0.235 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.973 -1.315 0.058 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.450 -2.812 0.865 1.00 0.00 H new ATOM 1239 N ALA A 83 -5.217 2.374 1.656 1.00 0.00 N ATOM 1240 CA ALA A 83 -5.540 3.675 2.228 1.00 0.00 C ATOM 1241 C ALA A 83 -4.979 4.805 1.371 1.00 0.00 C ATOM 1242 O ALA A 83 -5.686 5.756 1.037 1.00 0.00 O ATOM 1243 CB ALA A 83 -5.007 3.774 3.649 1.00 0.00 C ATOM 0 H ALA A 83 -4.547 1.829 2.199 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.625 3.775 2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.256 4.751 4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.459 2.994 4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.924 3.648 3.641 1.00 0.00 H new ATOM 1249 N LYS A 84 -3.702 4.696 1.018 1.00 0.00 N ATOM 1250 CA LYS A 84 -3.045 5.708 0.199 1.00 0.00 C ATOM 1251 C LYS A 84 -3.971 6.196 -0.910 1.00 0.00 C ATOM 1252 O LYS A 84 -4.016 7.388 -1.215 1.00 0.00 O ATOM 1253 CB LYS A 84 -1.757 5.146 -0.407 1.00 0.00 C ATOM 1254 CG LYS A 84 -0.530 5.365 0.461 1.00 0.00 C ATOM 1255 CD LYS A 84 0.722 5.548 -0.380 1.00 0.00 C ATOM 1256 CE LYS A 84 0.965 7.013 -0.708 1.00 0.00 C ATOM 1257 NZ LYS A 84 1.454 7.772 0.476 1.00 0.00 N ATOM 0 H LYS A 84 -3.102 3.916 1.287 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.798 6.554 0.840 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.883 4.077 -0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.591 5.609 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.679 6.243 1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.399 4.514 1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.583 5.146 0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.627 4.978 -1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.694 7.089 -1.515 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.041 7.462 -1.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.861 8.677 0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.661 7.954 1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.182 7.216 0.968 1.00 0.00 H new ATOM 1271 N ILE A 85 -4.709 5.267 -1.510 1.00 0.00 N ATOM 1272 CA ILE A 85 -5.636 5.604 -2.583 1.00 0.00 C ATOM 1273 C ILE A 85 -6.945 6.155 -2.027 1.00 0.00 C ATOM 1274 O ILE A 85 -7.413 7.214 -2.445 1.00 0.00 O ATOM 1275 CB ILE A 85 -5.941 4.381 -3.468 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -4.653 3.840 -4.091 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -6.946 4.747 -4.549 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -3.965 2.793 -3.244 1.00 0.00 C ATOM 0 H ILE A 85 -4.683 4.276 -1.271 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.152 6.369 -3.189 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.376 3.600 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.883 3.412 -5.067 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.965 4.668 -4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.151 3.872 -5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.871 5.089 -4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.537 5.543 -5.172 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.059 2.455 -3.748 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.703 3.222 -2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.636 1.946 -3.096 1.00 0.00 H new ATOM 1290 N LYS A 86 -7.530 5.430 -1.080 1.00 0.00 N ATOM 1291 CA LYS A 86 -8.784 5.846 -0.463 1.00 0.00 C ATOM 1292 C LYS A 86 -8.773 7.341 -0.163 1.00 0.00 C ATOM 1293 O LYS A 86 -9.759 8.039 -0.402 1.00 0.00 O ATOM 1294 CB LYS A 86 -9.027 5.059 0.827 1.00 0.00 C ATOM 1295 CG LYS A 86 -9.770 3.752 0.611 1.00 0.00 C ATOM 1296 CD LYS A 86 -10.459 3.285 1.883 1.00 0.00 C ATOM 1297 CE LYS A 86 -9.499 2.535 2.793 1.00 0.00 C ATOM 1298 NZ LYS A 86 -10.218 1.623 3.726 1.00 0.00 N ATOM 0 H LYS A 86 -7.156 4.551 -0.723 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.591 5.640 -1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.068 4.848 1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.595 5.680 1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.510 3.879 -0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.071 2.987 0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.868 4.145 2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.299 2.639 1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.800 1.958 2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.909 3.250 3.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.529 1.130 4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.866 2.177 4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.761 0.925 3.179 1.00 0.00 H new ATOM 1312 N ALA A 87 -7.652 7.828 0.358 1.00 0.00 N ATOM 1313 CA ALA A 87 -7.512 9.241 0.686 1.00 0.00 C ATOM 1314 C ALA A 87 -8.077 10.121 -0.424 1.00 0.00 C ATOM 1315 O ALA A 87 -8.999 10.905 -0.199 1.00 0.00 O ATOM 1316 CB ALA A 87 -6.051 9.582 0.940 1.00 0.00 C ATOM 0 H ALA A 87 -6.827 7.264 0.562 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.082 9.436 1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.962 10.641 1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.677 8.985 1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.466 9.365 0.046 1.00 0.00 H new ATOM 1322 N ALA A 88 -7.518 9.986 -1.622 1.00 0.00 N ATOM 1323 CA ALA A 88 -7.968 10.767 -2.767 1.00 0.00 C ATOM 1324 C ALA A 88 -9.488 10.889 -2.786 1.00 0.00 C ATOM 1325 O ALA A 88 -10.030 11.976 -2.981 1.00 0.00 O ATOM 1326 CB ALA A 88 -7.470 10.142 -4.061 1.00 0.00 C ATOM 0 H ALA A 88 -6.753 9.343 -1.825 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.551 11.770 -2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.814 10.736 -4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.380 10.114 -4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.858 9.127 -4.148 1.00 0.00 H new ATOM 1332 N GLN A 89 -10.169 9.765 -2.584 1.00 0.00 N ATOM 1333 CA GLN A 89 -11.627 9.747 -2.579 1.00 0.00 C ATOM 1334 C GLN A 89 -12.178 10.554 -1.408 1.00 0.00 C ATOM 1335 O GLN A 89 -13.094 11.360 -1.572 1.00 0.00 O ATOM 1336 CB GLN A 89 -12.140 8.308 -2.509 1.00 0.00 C ATOM 1337 CG GLN A 89 -12.332 7.663 -3.872 1.00 0.00 C ATOM 1338 CD GLN A 89 -11.086 7.735 -4.733 1.00 0.00 C ATOM 1339 OE1 GLN A 89 -11.095 8.332 -5.810 1.00 0.00 O ATOM 1340 NE2 GLN A 89 -10.005 7.126 -4.261 1.00 0.00 N ATOM 0 H GLN A 89 -9.735 8.856 -2.422 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.974 10.204 -3.506 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.438 7.709 -1.929 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.089 8.295 -1.973 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.617 6.619 -3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -13.156 8.155 -4.390 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.043 6.643 -3.363 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.137 7.141 -4.796 1.00 0.00 H new ATOM 1349 N HIS A 90 -11.615 10.330 -0.225 1.00 0.00 N ATOM 1350 CA HIS A 90 -12.051 11.036 0.975 1.00 0.00 C ATOM 1351 C HIS A 90 -12.250 12.521 0.688 1.00 0.00 C ATOM 1352 O HIS A 90 -11.729 13.048 -0.294 1.00 0.00 O ATOM 1353 CB HIS A 90 -11.029 10.854 2.098 1.00 0.00 C ATOM 1354 CG HIS A 90 -11.615 10.996 3.469 1.00 0.00 C ATOM 1355 ND1 HIS A 90 -10.948 11.599 4.514 1.00 0.00 N ATOM 1356 CD2 HIS A 90 -12.815 10.610 3.963 1.00 0.00 C ATOM 1357 CE1 HIS A 90 -11.710 11.576 5.593 1.00 0.00 C ATOM 1358 NE2 HIS A 90 -12.849 10.982 5.285 1.00 0.00 N ATOM 0 H HIS A 90 -10.856 9.666 -0.071 1.00 0.00 H new ATOM 0 HA HIS A 90 -13.005 10.613 1.290 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -10.573 9.868 2.007 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -10.232 11.587 1.975 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -13.599 10.104 3.419 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -11.447 11.975 6.562 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -13.628 10.825 5.925 1.00 0.00 H new ATOM 1366 N GLN A 91 -13.008 13.189 1.552 1.00 0.00 N ATOM 1367 CA GLN A 91 -13.278 14.613 1.390 1.00 0.00 C ATOM 1368 C GLN A 91 -12.577 15.426 2.474 1.00 0.00 C ATOM 1369 O GLN A 91 -12.616 15.073 3.652 1.00 0.00 O ATOM 1370 CB GLN A 91 -14.784 14.877 1.432 1.00 0.00 C ATOM 1371 CG GLN A 91 -15.161 16.306 1.078 1.00 0.00 C ATOM 1372 CD GLN A 91 -16.660 16.505 0.975 1.00 0.00 C ATOM 1373 OE1 GLN A 91 -17.288 17.065 1.874 1.00 0.00 O ATOM 1374 NE2 GLN A 91 -17.244 16.047 -0.126 1.00 0.00 N ATOM 0 H GLN A 91 -13.446 12.767 2.371 1.00 0.00 H new ATOM 0 HA GLN A 91 -12.890 14.923 0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -15.283 14.197 0.742 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -15.157 14.648 2.430 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -14.760 16.981 1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -14.696 16.576 0.130 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -16.686 15.589 -0.847 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -18.251 16.153 -0.251 1.00 0.00 H new ATOM 1383 N ALA A 92 -11.936 16.517 2.066 1.00 0.00 N ATOM 1384 CA ALA A 92 -11.228 17.381 3.003 1.00 0.00 C ATOM 1385 C ALA A 92 -10.696 18.628 2.304 1.00 0.00 C ATOM 1386 O ALA A 92 -10.364 18.593 1.120 1.00 0.00 O ATOM 1387 CB ALA A 92 -10.090 16.620 3.666 1.00 0.00 C ATOM 0 H ALA A 92 -11.893 16.823 1.094 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.934 17.699 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.570 17.277 4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.492 15.763 4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.391 16.274 2.904 1.00 0.00 H new ATOM 1393 N ASN A 93 -10.619 19.728 3.045 1.00 0.00 N ATOM 1394 CA ASN A 93 -10.128 20.987 2.496 1.00 0.00 C ATOM 1395 C ASN A 93 -8.604 21.037 2.528 1.00 0.00 C ATOM 1396 O ASN A 93 -8.015 22.034 2.947 1.00 0.00 O ATOM 1397 CB ASN A 93 -10.705 22.168 3.279 1.00 0.00 C ATOM 1398 CG ASN A 93 -12.219 22.227 3.204 1.00 0.00 C ATOM 1399 OD1 ASN A 93 -12.903 22.214 4.228 1.00 0.00 O ATOM 1400 ND2 ASN A 93 -12.749 22.293 1.988 1.00 0.00 N ATOM 0 H ASN A 93 -10.890 19.773 4.027 1.00 0.00 H new ATOM 0 HA ASN A 93 -10.454 21.054 1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.398 22.093 4.322 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.288 23.097 2.890 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.762 22.335 1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -12.143 22.301 1.167 1.00 0.00 H new ATOM 1407 N GLN A 94 -7.972 19.957 2.082 1.00 0.00 N ATOM 1408 CA GLN A 94 -6.516 19.878 2.060 1.00 0.00 C ATOM 1409 C GLN A 94 -5.993 19.876 0.627 1.00 0.00 C ATOM 1410 O GLN A 94 -6.056 18.861 -0.065 1.00 0.00 O ATOM 1411 CB GLN A 94 -6.041 18.621 2.791 1.00 0.00 C ATOM 1412 CG GLN A 94 -4.638 18.743 3.362 1.00 0.00 C ATOM 1413 CD GLN A 94 -4.312 17.642 4.351 1.00 0.00 C ATOM 1414 OE1 GLN A 94 -4.905 16.563 4.314 1.00 0.00 O ATOM 1415 NE2 GLN A 94 -3.365 17.907 5.243 1.00 0.00 N ATOM 0 H GLN A 94 -8.445 19.124 1.731 1.00 0.00 H new ATOM 0 HA GLN A 94 -6.122 20.757 2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.736 18.397 3.601 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.072 17.777 2.102 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -3.915 18.719 2.547 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.533 19.710 3.853 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.899 18.814 5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -3.103 17.203 5.933 1.00 0.00 H new ATOM 1424 N ALA A 95 -5.477 21.019 0.190 1.00 0.00 N ATOM 1425 CA ALA A 95 -4.941 21.149 -1.160 1.00 0.00 C ATOM 1426 C ALA A 95 -3.531 20.573 -1.248 1.00 0.00 C ATOM 1427 O ALA A 95 -2.640 21.179 -1.842 1.00 0.00 O ATOM 1428 CB ALA A 95 -4.946 22.607 -1.592 1.00 0.00 C ATOM 0 H ALA A 95 -5.418 21.869 0.751 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.581 20.580 -1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.543 22.689 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.967 22.987 -1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.331 23.191 -0.908 1.00 0.00 H new ATOM 1434 N ALA A 96 -3.337 19.401 -0.653 1.00 0.00 N ATOM 1435 CA ALA A 96 -2.037 18.744 -0.666 1.00 0.00 C ATOM 1436 C ALA A 96 -1.745 18.130 -2.032 1.00 0.00 C ATOM 1437 O ALA A 96 -0.597 18.088 -2.472 1.00 0.00 O ATOM 1438 CB ALA A 96 -1.973 17.678 0.418 1.00 0.00 C ATOM 0 H ALA A 96 -4.064 18.887 -0.156 1.00 0.00 H new ATOM 0 HA ALA A 96 -1.275 19.497 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.996 17.195 0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -2.128 18.141 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -2.749 16.933 0.242 1.00 0.00 H new ATOM 1444 N VAL A 97 -2.793 17.653 -2.697 1.00 0.00 N ATOM 1445 CA VAL A 97 -2.649 17.042 -4.013 1.00 0.00 C ATOM 1446 C VAL A 97 -3.484 17.778 -5.055 1.00 0.00 C ATOM 1447 O VAL A 97 -3.029 18.016 -6.173 1.00 0.00 O ATOM 1448 CB VAL A 97 -3.066 15.559 -3.991 1.00 0.00 C ATOM 1449 CG1 VAL A 97 -2.150 14.760 -3.076 1.00 0.00 C ATOM 1450 CG2 VAL A 97 -4.518 15.421 -3.558 1.00 0.00 C ATOM 0 H VAL A 97 -3.750 17.678 -2.346 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.595 17.112 -4.281 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.972 15.158 -5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.460 13.715 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.123 14.833 -3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.209 15.159 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.796 14.367 -3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.641 15.838 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.159 15.959 -4.257 1.00 0.00 H new ATOM 1460 N ALA A 98 -4.708 18.136 -4.679 1.00 0.00 N ATOM 1461 CA ALA A 98 -5.605 18.848 -5.581 1.00 0.00 C ATOM 1462 C ALA A 98 -6.354 19.956 -4.848 1.00 0.00 C ATOM 1463 O ALA A 98 -6.947 19.693 -3.803 1.00 0.00 O ATOM 1464 CB ALA A 98 -6.588 17.878 -6.221 1.00 0.00 C ATOM 0 H ALA A 98 -5.100 17.945 -3.757 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.003 19.309 -6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.252 18.423 -6.892 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.040 17.124 -6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.177 17.391 -5.444 1.00 0.00 H new TER 1470 ALA A 98 HETATM 1471 ZN ZN A 201 9.187 -3.894 -4.068 1.00 0.00 ZN HETATM 1472 ZN ZN A 401 -11.255 -6.665 -7.308 1.00 0.00 ZN