USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 690 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 7 HIS HD1 : A 7 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 9 HIS HE2 : A 9 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 79 HIS HE2 : A 79 HIS NE2 : A 701 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -2.77! C(o=-2.8!,f=-3.7!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= -0.0581 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ -137:sc= 0.0322 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0548 K(o=-0.055,f=-0.64) USER MOD Single : A 15 SER OG : rot 180:sc= 0.00277 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -150:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.514 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0117 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -7.03! C(o=-7!,f=-9!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 44:sc= 0.0118 USER MOD Single : A 71 MET CE :methyl -175:sc= -2.11 (180deg=-2.19) USER MOD Single : A 74 ASN : amide:sc= -1.13! C(o=-1.1!,f=-3.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc=-0.000888 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -34.114 22.169 -20.118 1.00 0.00 N ATOM 2 CA GLY A -6 -33.519 21.597 -18.925 1.00 0.00 C ATOM 3 C GLY A -6 -33.074 22.655 -17.934 1.00 0.00 C ATOM 4 O GLY A -6 -33.660 23.735 -17.865 1.00 0.00 O ATOM 0 H1 GLY A -6 -34.964 21.628 -20.376 1.00 0.00 H new ATOM 0 H2 GLY A -6 -34.376 23.159 -19.935 1.00 0.00 H new ATOM 0 H3 GLY A -6 -33.429 22.131 -20.900 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -34.240 20.935 -18.445 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -32.662 20.985 -19.208 1.00 0.00 H new ATOM 8 N SER A -5 -32.035 22.345 -17.165 1.00 0.00 N ATOM 9 CA SER A -5 -31.516 23.275 -16.170 1.00 0.00 C ATOM 10 C SER A -5 -30.228 22.743 -15.549 1.00 0.00 C ATOM 11 O SER A -5 -29.909 21.561 -15.671 1.00 0.00 O ATOM 12 CB SER A -5 -32.558 23.521 -15.077 1.00 0.00 C ATOM 13 OG SER A -5 -32.918 22.310 -14.434 1.00 0.00 O ATOM 0 H SER A -5 -31.536 21.457 -17.212 1.00 0.00 H new ATOM 0 HA SER A -5 -31.296 24.218 -16.671 1.00 0.00 H new ATOM 0 HB2 SER A -5 -32.161 24.222 -14.343 1.00 0.00 H new ATOM 0 HB3 SER A -5 -33.444 23.983 -15.512 1.00 0.00 H new ATOM 0 HG SER A -5 -33.584 22.494 -13.739 1.00 0.00 H new ATOM 19 N SER A -4 -29.491 23.627 -14.883 1.00 0.00 N ATOM 20 CA SER A -4 -28.234 23.249 -14.246 1.00 0.00 C ATOM 21 C SER A -4 -27.701 24.386 -13.380 1.00 0.00 C ATOM 22 O SER A -4 -27.994 25.556 -13.622 1.00 0.00 O ATOM 23 CB SER A -4 -27.197 22.867 -15.304 1.00 0.00 C ATOM 24 OG SER A -4 -26.853 23.983 -16.107 1.00 0.00 O ATOM 0 H SER A -4 -29.742 24.609 -14.771 1.00 0.00 H new ATOM 0 HA SER A -4 -28.423 22.387 -13.606 1.00 0.00 H new ATOM 0 HB2 SER A -4 -26.303 22.476 -14.817 1.00 0.00 H new ATOM 0 HB3 SER A -4 -27.592 22.070 -15.934 1.00 0.00 H new ATOM 0 HG SER A -4 -26.188 23.713 -16.774 1.00 0.00 H new ATOM 30 N GLY A -3 -26.914 24.032 -12.369 1.00 0.00 N ATOM 31 CA GLY A -3 -26.351 25.032 -11.481 1.00 0.00 C ATOM 32 C GLY A -3 -26.024 24.474 -10.111 1.00 0.00 C ATOM 33 O GLY A -3 -26.821 23.742 -9.525 1.00 0.00 O ATOM 0 H GLY A -3 -26.656 23.070 -12.149 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -25.445 25.442 -11.928 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -27.056 25.857 -11.375 1.00 0.00 H new ATOM 37 N SER A -2 -24.847 24.819 -9.599 1.00 0.00 N ATOM 38 CA SER A -2 -24.413 24.342 -8.290 1.00 0.00 C ATOM 39 C SER A -2 -23.371 25.280 -7.689 1.00 0.00 C ATOM 40 O SER A -2 -22.832 26.149 -8.374 1.00 0.00 O ATOM 41 CB SER A -2 -23.839 22.928 -8.404 1.00 0.00 C ATOM 42 OG SER A -2 -23.625 22.361 -7.123 1.00 0.00 O ATOM 0 H SER A -2 -24.177 25.427 -10.070 1.00 0.00 H new ATOM 0 HA SER A -2 -25.281 24.322 -7.631 1.00 0.00 H new ATOM 0 HB2 SER A -2 -24.523 22.299 -8.974 1.00 0.00 H new ATOM 0 HB3 SER A -2 -22.899 22.957 -8.954 1.00 0.00 H new ATOM 0 HG SER A -2 -23.260 21.457 -7.222 1.00 0.00 H new ATOM 48 N SER A -1 -23.092 25.096 -6.402 1.00 0.00 N ATOM 49 CA SER A -1 -22.117 25.927 -5.705 1.00 0.00 C ATOM 50 C SER A -1 -20.794 25.186 -5.535 1.00 0.00 C ATOM 51 O SER A -1 -19.737 25.683 -5.922 1.00 0.00 O ATOM 52 CB SER A -1 -22.659 26.348 -4.338 1.00 0.00 C ATOM 53 OG SER A -1 -22.083 27.572 -3.915 1.00 0.00 O ATOM 0 H SER A -1 -23.527 24.379 -5.821 1.00 0.00 H new ATOM 0 HA SER A -1 -21.939 26.818 -6.307 1.00 0.00 H new ATOM 0 HB2 SER A -1 -23.743 26.451 -4.389 1.00 0.00 H new ATOM 0 HB3 SER A -1 -22.447 25.570 -3.604 1.00 0.00 H new ATOM 0 HG SER A -1 -22.447 27.820 -3.040 1.00 0.00 H new ATOM 59 N GLY A 0 -20.862 23.993 -4.952 1.00 0.00 N ATOM 60 CA GLY A 0 -19.664 23.202 -4.740 1.00 0.00 C ATOM 61 C GLY A 0 -19.053 23.431 -3.371 1.00 0.00 C ATOM 62 O GLY A 0 -17.850 23.659 -3.252 1.00 0.00 O ATOM 0 H GLY A 0 -21.725 23.560 -4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -19.905 22.145 -4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -18.930 23.447 -5.508 1.00 0.00 H new ATOM 66 N MET A 1 -19.885 23.371 -2.337 1.00 0.00 N ATOM 67 CA MET A 1 -19.419 23.574 -0.970 1.00 0.00 C ATOM 68 C MET A 1 -19.801 22.393 -0.084 1.00 0.00 C ATOM 69 O MET A 1 -20.714 22.490 0.736 1.00 0.00 O ATOM 70 CB MET A 1 -20.003 24.867 -0.396 1.00 0.00 C ATOM 71 CG MET A 1 -21.485 25.045 -0.684 1.00 0.00 C ATOM 72 SD MET A 1 -22.128 26.614 -0.070 1.00 0.00 S ATOM 73 CE MET A 1 -23.710 26.095 0.590 1.00 0.00 C ATOM 0 H MET A 1 -20.884 23.184 -2.419 1.00 0.00 H new ATOM 0 HA MET A 1 -18.332 23.653 -0.991 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.847 24.879 0.683 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.457 25.716 -0.807 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.652 24.984 -1.759 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.041 24.226 -0.228 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.230 26.957 1.008 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.312 25.659 -0.208 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.552 25.353 1.372 1.00 0.00 H new ATOM 83 N GLU A 2 -19.097 21.278 -0.255 1.00 0.00 N ATOM 84 CA GLU A 2 -19.365 20.078 0.529 1.00 0.00 C ATOM 85 C GLU A 2 -18.074 19.318 0.818 1.00 0.00 C ATOM 86 O GLU A 2 -17.213 19.186 -0.050 1.00 0.00 O ATOM 87 CB GLU A 2 -20.351 19.170 -0.209 1.00 0.00 C ATOM 88 CG GLU A 2 -19.889 18.774 -1.601 1.00 0.00 C ATOM 89 CD GLU A 2 -20.729 17.663 -2.201 1.00 0.00 C ATOM 90 OE1 GLU A 2 -21.940 17.884 -2.415 1.00 0.00 O ATOM 91 OE2 GLU A 2 -20.176 16.574 -2.457 1.00 0.00 O ATOM 0 H GLU A 2 -18.337 21.181 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 2 -19.805 20.385 1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -20.513 18.268 0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -21.312 19.678 -0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -19.927 19.646 -2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -18.848 18.454 -1.557 1.00 0.00 H new ATOM 98 N GLU A 3 -17.949 18.821 2.044 1.00 0.00 N ATOM 99 CA GLU A 3 -16.763 18.075 2.448 1.00 0.00 C ATOM 100 C GLU A 3 -17.106 16.613 2.723 1.00 0.00 C ATOM 101 O GLU A 3 -18.205 16.299 3.178 1.00 0.00 O ATOM 102 CB GLU A 3 -16.136 18.705 3.694 1.00 0.00 C ATOM 103 CG GLU A 3 -15.773 20.170 3.517 1.00 0.00 C ATOM 104 CD GLU A 3 -16.991 21.069 3.441 1.00 0.00 C ATOM 105 OE1 GLU A 3 -18.056 20.671 3.958 1.00 0.00 O ATOM 106 OE2 GLU A 3 -16.880 22.171 2.864 1.00 0.00 O ATOM 0 H GLU A 3 -18.654 18.921 2.774 1.00 0.00 H new ATOM 0 HA GLU A 3 -16.045 18.114 1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.831 18.610 4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.239 18.147 3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.144 20.487 4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.183 20.287 2.608 1.00 0.00 H new ATOM 113 N GLU A 4 -16.157 15.726 2.442 1.00 0.00 N ATOM 114 CA GLU A 4 -16.360 14.298 2.657 1.00 0.00 C ATOM 115 C GLU A 4 -15.500 13.794 3.812 1.00 0.00 C ATOM 116 O GLU A 4 -14.279 13.958 3.809 1.00 0.00 O ATOM 117 CB GLU A 4 -16.032 13.516 1.383 1.00 0.00 C ATOM 118 CG GLU A 4 -16.030 12.009 1.577 1.00 0.00 C ATOM 119 CD GLU A 4 -16.016 11.252 0.264 1.00 0.00 C ATOM 120 OE1 GLU A 4 -15.514 11.807 -0.736 1.00 0.00 O ATOM 121 OE2 GLU A 4 -16.507 10.104 0.235 1.00 0.00 O ATOM 0 H GLU A 4 -15.241 15.970 2.065 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.408 14.140 2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.758 13.774 0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.054 13.828 1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.158 11.723 2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.911 11.719 2.150 1.00 0.00 H new ATOM 128 N LEU A 5 -16.145 13.181 4.798 1.00 0.00 N ATOM 129 CA LEU A 5 -15.440 12.653 5.961 1.00 0.00 C ATOM 130 C LEU A 5 -15.419 11.128 5.939 1.00 0.00 C ATOM 131 O LEU A 5 -16.112 10.501 5.140 1.00 0.00 O ATOM 132 CB LEU A 5 -16.100 13.147 7.250 1.00 0.00 C ATOM 133 CG LEU A 5 -15.837 14.607 7.622 1.00 0.00 C ATOM 134 CD1 LEU A 5 -16.689 15.016 8.814 1.00 0.00 C ATOM 135 CD2 LEU A 5 -14.361 14.823 7.921 1.00 0.00 C ATOM 0 H LEU A 5 -17.155 13.037 4.816 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.412 13.013 5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -17.177 13.004 7.161 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.762 12.517 8.072 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.111 15.233 6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -16.488 16.058 9.064 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.744 14.899 8.565 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.446 14.384 9.669 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.192 15.867 8.184 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.061 14.186 8.753 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.771 14.570 7.040 1.00 0.00 H new ATOM 147 N GLN A 6 -14.620 10.540 6.824 1.00 0.00 N ATOM 148 CA GLN A 6 -14.510 9.088 6.906 1.00 0.00 C ATOM 149 C GLN A 6 -15.883 8.448 7.081 1.00 0.00 C ATOM 150 O GLN A 6 -16.839 9.106 7.491 1.00 0.00 O ATOM 151 CB GLN A 6 -13.597 8.690 8.067 1.00 0.00 C ATOM 152 CG GLN A 6 -12.139 9.062 7.849 1.00 0.00 C ATOM 153 CD GLN A 6 -11.927 10.560 7.761 1.00 0.00 C ATOM 154 OE1 GLN A 6 -12.036 11.152 6.687 1.00 0.00 O ATOM 155 NE2 GLN A 6 -11.621 11.183 8.894 1.00 0.00 N ATOM 0 H GLN A 6 -14.040 11.046 7.493 1.00 0.00 H new ATOM 0 HA GLN A 6 -14.077 8.728 5.973 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.953 9.169 8.979 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.669 7.614 8.223 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.539 8.661 8.666 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.781 8.594 6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.541 10.653 9.762 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -11.466 12.191 8.896 1.00 0.00 H new ATOM 164 N HIS A 7 -15.974 7.160 6.766 1.00 0.00 N ATOM 165 CA HIS A 7 -17.231 6.429 6.889 1.00 0.00 C ATOM 166 C HIS A 7 -17.433 5.932 8.317 1.00 0.00 C ATOM 167 O HIS A 7 -16.513 5.397 8.934 1.00 0.00 O ATOM 168 CB HIS A 7 -17.257 5.250 5.917 1.00 0.00 C ATOM 169 CG HIS A 7 -17.217 5.659 4.477 1.00 0.00 C ATOM 170 ND1 HIS A 7 -16.378 5.075 3.551 1.00 0.00 N ATOM 171 CD2 HIS A 7 -17.921 6.599 3.804 1.00 0.00 C ATOM 172 CE1 HIS A 7 -16.566 5.640 2.372 1.00 0.00 C ATOM 173 NE2 HIS A 7 -17.498 6.567 2.498 1.00 0.00 N ATOM 0 H HIS A 7 -15.193 6.601 6.424 1.00 0.00 H new ATOM 0 HA HIS A 7 -18.045 7.111 6.642 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.407 4.600 6.125 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -18.158 4.663 6.095 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -18.675 7.253 4.217 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.046 5.387 1.460 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -17.847 7.163 1.747 1.00 0.00 H new ATOM 181 N SER A 8 -18.644 6.113 8.836 1.00 0.00 N ATOM 182 CA SER A 8 -18.966 5.687 10.192 1.00 0.00 C ATOM 183 C SER A 8 -18.768 4.182 10.351 1.00 0.00 C ATOM 184 O SER A 8 -17.878 3.734 11.075 1.00 0.00 O ATOM 185 CB SER A 8 -20.408 6.062 10.539 1.00 0.00 C ATOM 186 OG SER A 8 -20.761 5.593 11.829 1.00 0.00 O ATOM 0 H SER A 8 -19.418 6.552 8.337 1.00 0.00 H new ATOM 0 HA SER A 8 -18.290 6.199 10.877 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.525 7.145 10.498 1.00 0.00 H new ATOM 0 HB3 SER A 8 -21.086 5.639 9.797 1.00 0.00 H new ATOM 0 HG SER A 8 -21.686 5.847 12.027 1.00 0.00 H new ATOM 192 N HIS A 9 -19.603 3.407 9.667 1.00 0.00 N ATOM 193 CA HIS A 9 -19.521 1.952 9.731 1.00 0.00 C ATOM 194 C HIS A 9 -18.073 1.485 9.621 1.00 0.00 C ATOM 195 O HIS A 9 -17.610 0.670 10.420 1.00 0.00 O ATOM 196 CB HIS A 9 -20.357 1.324 8.616 1.00 0.00 C ATOM 197 CG HIS A 9 -19.953 -0.079 8.281 1.00 0.00 C ATOM 198 ND1 HIS A 9 -20.633 -1.188 8.739 1.00 0.00 N ATOM 199 CD2 HIS A 9 -18.932 -0.550 7.528 1.00 0.00 C ATOM 200 CE1 HIS A 9 -20.047 -2.281 8.283 1.00 0.00 C ATOM 201 NE2 HIS A 9 -19.012 -1.921 7.545 1.00 0.00 N ATOM 0 H HIS A 9 -20.344 3.762 9.062 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.916 1.632 10.695 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -21.406 1.330 8.912 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -20.275 1.940 7.721 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -21.459 -1.168 9.337 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -18.192 0.042 7.010 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -20.361 -3.296 8.480 1.00 0.00 H new ATOM 209 N CYS A 10 -17.362 2.004 8.626 1.00 0.00 N ATOM 210 CA CYS A 10 -15.967 1.640 8.410 1.00 0.00 C ATOM 211 C CYS A 10 -15.139 1.891 9.667 1.00 0.00 C ATOM 212 O CYS A 10 -14.612 0.958 10.273 1.00 0.00 O ATOM 213 CB CYS A 10 -15.387 2.433 7.237 1.00 0.00 C ATOM 214 SG CYS A 10 -16.201 2.102 5.641 1.00 0.00 S ATOM 0 H CYS A 10 -17.730 2.679 7.956 1.00 0.00 H new ATOM 0 HA CYS A 10 -15.927 0.576 8.176 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -15.464 3.497 7.458 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.326 2.203 7.146 1.00 0.00 H new ATOM 219 N VAL A 11 -15.028 3.158 10.053 1.00 0.00 N ATOM 220 CA VAL A 11 -14.266 3.533 11.238 1.00 0.00 C ATOM 221 C VAL A 11 -14.634 2.655 12.429 1.00 0.00 C ATOM 222 O VAL A 11 -13.882 2.557 13.397 1.00 0.00 O ATOM 223 CB VAL A 11 -14.498 5.009 11.611 1.00 0.00 C ATOM 224 CG1 VAL A 11 -14.096 5.920 10.461 1.00 0.00 C ATOM 225 CG2 VAL A 11 -15.950 5.238 12.002 1.00 0.00 C ATOM 0 H VAL A 11 -15.456 3.943 9.562 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.213 3.389 10.996 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.872 5.251 12.470 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -14.267 6.959 10.743 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -13.040 5.775 10.234 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.693 5.680 9.581 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.096 6.286 12.262 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.598 4.979 11.164 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -16.199 4.613 12.860 1.00 0.00 H new ATOM 235 N ASN A 12 -15.797 2.017 12.349 1.00 0.00 N ATOM 236 CA ASN A 12 -16.266 1.146 13.421 1.00 0.00 C ATOM 237 C ASN A 12 -16.158 -0.321 13.016 1.00 0.00 C ATOM 238 O ASN A 12 -16.213 -1.215 13.861 1.00 0.00 O ATOM 239 CB ASN A 12 -17.715 1.482 13.782 1.00 0.00 C ATOM 240 CG ASN A 12 -17.815 2.650 14.744 1.00 0.00 C ATOM 241 OD1 ASN A 12 -17.047 2.747 15.701 1.00 0.00 O ATOM 242 ND2 ASN A 12 -18.765 3.543 14.494 1.00 0.00 N ATOM 0 H ASN A 12 -16.432 2.087 11.554 1.00 0.00 H new ATOM 0 HA ASN A 12 -15.634 1.311 14.293 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -18.268 1.716 12.872 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -18.188 0.607 14.227 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -18.881 4.350 15.107 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -19.379 3.422 13.689 1.00 0.00 H new ATOM 249 N CYS A 13 -16.005 -0.561 11.718 1.00 0.00 N ATOM 250 CA CYS A 13 -15.889 -1.919 11.200 1.00 0.00 C ATOM 251 C CYS A 13 -14.453 -2.425 11.316 1.00 0.00 C ATOM 252 O CYS A 13 -13.529 -1.835 10.755 1.00 0.00 O ATOM 253 CB CYS A 13 -16.343 -1.971 9.740 1.00 0.00 C ATOM 254 SG CYS A 13 -16.260 -3.630 8.994 1.00 0.00 S ATOM 0 H CYS A 13 -15.958 0.167 11.006 1.00 0.00 H new ATOM 0 HA CYS A 13 -16.533 -2.565 11.797 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -17.368 -1.607 9.676 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -15.726 -1.290 9.154 1.00 0.00 H new ATOM 259 N VAL A 14 -14.275 -3.520 12.047 1.00 0.00 N ATOM 260 CA VAL A 14 -12.953 -4.107 12.235 1.00 0.00 C ATOM 261 C VAL A 14 -12.837 -5.444 11.512 1.00 0.00 C ATOM 262 O VAL A 14 -11.803 -5.753 10.920 1.00 0.00 O ATOM 263 CB VAL A 14 -12.639 -4.314 13.728 1.00 0.00 C ATOM 264 CG1 VAL A 14 -12.586 -2.978 14.454 1.00 0.00 C ATOM 265 CG2 VAL A 14 -13.667 -5.236 14.366 1.00 0.00 C ATOM 0 H VAL A 14 -15.029 -4.019 12.519 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.232 -3.406 11.813 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.660 -4.785 13.813 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.363 -3.145 15.508 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.808 -2.355 14.013 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.549 -2.476 14.362 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -13.429 -5.371 15.421 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.659 -4.795 14.271 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.650 -6.203 13.864 1.00 0.00 H new ATOM 275 N SER A 15 -13.905 -6.233 11.564 1.00 0.00 N ATOM 276 CA SER A 15 -13.922 -7.540 10.916 1.00 0.00 C ATOM 277 C SER A 15 -13.363 -7.451 9.500 1.00 0.00 C ATOM 278 O SER A 15 -13.295 -6.370 8.914 1.00 0.00 O ATOM 279 CB SER A 15 -15.347 -8.096 10.881 1.00 0.00 C ATOM 280 OG SER A 15 -15.946 -8.047 12.164 1.00 0.00 O ATOM 0 H SER A 15 -14.770 -5.991 12.048 1.00 0.00 H new ATOM 0 HA SER A 15 -13.291 -8.214 11.495 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.947 -7.523 10.174 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.330 -9.126 10.523 1.00 0.00 H new ATOM 0 HG SER A 15 -16.856 -8.406 12.114 1.00 0.00 H new ATOM 286 N ARG A 16 -12.964 -8.596 8.955 1.00 0.00 N ATOM 287 CA ARG A 16 -12.409 -8.649 7.608 1.00 0.00 C ATOM 288 C ARG A 16 -13.454 -9.137 6.609 1.00 0.00 C ATOM 289 O ARG A 16 -13.596 -8.578 5.521 1.00 0.00 O ATOM 290 CB ARG A 16 -11.187 -9.567 7.573 1.00 0.00 C ATOM 291 CG ARG A 16 -10.421 -9.512 6.261 1.00 0.00 C ATOM 292 CD ARG A 16 -9.091 -10.242 6.361 1.00 0.00 C ATOM 293 NE ARG A 16 -8.183 -9.599 7.306 1.00 0.00 N ATOM 294 CZ ARG A 16 -8.148 -9.885 8.603 1.00 0.00 C ATOM 295 NH1 ARG A 16 -8.967 -10.798 9.106 1.00 0.00 N ATOM 296 NH2 ARG A 16 -7.293 -9.256 9.400 1.00 0.00 N ATOM 0 H ARG A 16 -13.015 -9.499 9.426 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.105 -7.641 7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.516 -9.295 8.388 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.508 -10.593 7.754 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.023 -9.957 5.468 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.247 -8.472 5.984 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.266 -11.273 6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.623 -10.279 5.377 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.540 -8.891 6.951 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.626 -11.283 8.497 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.938 -11.016 10.102 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.662 -8.552 9.017 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.267 -9.476 10.396 1.00 0.00 H new ATOM 310 N ARG A 17 -14.183 -10.182 6.986 1.00 0.00 N ATOM 311 CA ARG A 17 -15.214 -10.746 6.122 1.00 0.00 C ATOM 312 C ARG A 17 -16.501 -9.931 6.208 1.00 0.00 C ATOM 313 O ARG A 17 -17.598 -10.487 6.262 1.00 0.00 O ATOM 314 CB ARG A 17 -15.492 -12.200 6.507 1.00 0.00 C ATOM 315 CG ARG A 17 -14.516 -13.190 5.892 1.00 0.00 C ATOM 316 CD ARG A 17 -13.222 -13.263 6.687 1.00 0.00 C ATOM 317 NE ARG A 17 -12.343 -14.326 6.205 1.00 0.00 N ATOM 318 CZ ARG A 17 -12.437 -15.591 6.597 1.00 0.00 C ATOM 319 NH1 ARG A 17 -13.366 -15.951 7.472 1.00 0.00 N ATOM 320 NH2 ARG A 17 -11.601 -16.501 6.113 1.00 0.00 N ATOM 0 H ARG A 17 -14.079 -10.655 7.884 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.851 -10.712 5.095 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.455 -12.293 7.592 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.504 -12.461 6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.975 -14.178 5.851 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.297 -12.897 4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.703 -12.307 6.623 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.452 -13.432 7.739 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.618 -14.083 5.530 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.011 -15.255 7.846 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.435 -16.924 7.771 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.885 -16.229 5.439 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.674 -17.473 6.415 1.00 0.00 H new ATOM 334 N CYS A 18 -16.359 -8.610 6.221 1.00 0.00 N ATOM 335 CA CYS A 18 -17.508 -7.717 6.301 1.00 0.00 C ATOM 336 C CYS A 18 -18.264 -7.683 4.976 1.00 0.00 C ATOM 337 O CYS A 18 -17.672 -7.479 3.917 1.00 0.00 O ATOM 338 CB CYS A 18 -17.059 -6.305 6.681 1.00 0.00 C ATOM 339 SG CYS A 18 -18.172 -4.987 6.095 1.00 0.00 S ATOM 0 H CYS A 18 -15.458 -8.134 6.177 1.00 0.00 H new ATOM 0 HA CYS A 18 -18.178 -8.097 7.072 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -16.977 -6.241 7.766 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -16.062 -6.131 6.276 1.00 0.00 H new ATOM 344 N MET A 19 -19.576 -7.884 5.044 1.00 0.00 N ATOM 345 CA MET A 19 -20.413 -7.875 3.850 1.00 0.00 C ATOM 346 C MET A 19 -21.598 -6.931 4.024 1.00 0.00 C ATOM 347 O MET A 19 -22.726 -7.256 3.650 1.00 0.00 O ATOM 348 CB MET A 19 -20.913 -9.288 3.541 1.00 0.00 C ATOM 349 CG MET A 19 -21.785 -9.877 4.638 1.00 0.00 C ATOM 350 SD MET A 19 -22.465 -11.487 4.194 1.00 0.00 S ATOM 351 CE MET A 19 -23.695 -11.700 5.479 1.00 0.00 C ATOM 0 H MET A 19 -20.082 -8.055 5.913 1.00 0.00 H new ATOM 0 HA MET A 19 -19.808 -7.521 3.015 1.00 0.00 H new ATOM 0 HB2 MET A 19 -21.479 -9.269 2.609 1.00 0.00 H new ATOM 0 HB3 MET A 19 -20.055 -9.941 3.380 1.00 0.00 H new ATOM 0 HG2 MET A 19 -21.198 -9.974 5.551 1.00 0.00 H new ATOM 0 HG3 MET A 19 -22.602 -9.189 4.856 1.00 0.00 H new ATOM 0 HE1 MET A 19 -24.204 -12.654 5.341 1.00 0.00 H new ATOM 0 HE2 MET A 19 -23.208 -11.686 6.454 1.00 0.00 H new ATOM 0 HE3 MET A 19 -24.422 -10.890 5.425 1.00 0.00 H new ATOM 361 N THR A 20 -21.336 -5.758 4.594 1.00 0.00 N ATOM 362 CA THR A 20 -22.381 -4.767 4.818 1.00 0.00 C ATOM 363 C THR A 20 -22.621 -3.929 3.568 1.00 0.00 C ATOM 364 O THR A 20 -21.684 -3.598 2.841 1.00 0.00 O ATOM 365 CB THR A 20 -22.025 -3.832 5.989 1.00 0.00 C ATOM 366 OG1 THR A 20 -21.960 -4.578 7.210 1.00 0.00 O ATOM 367 CG2 THR A 20 -23.053 -2.719 6.124 1.00 0.00 C ATOM 0 H THR A 20 -20.409 -5.472 4.909 1.00 0.00 H new ATOM 0 HA THR A 20 -23.290 -5.316 5.064 1.00 0.00 H new ATOM 0 HB THR A 20 -21.052 -3.385 5.785 1.00 0.00 H new ATOM 0 HG1 THR A 20 -22.209 -3.999 7.961 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.781 -2.071 6.957 1.00 0.00 H new ATOM 0 HG22 THR A 20 -23.080 -2.135 5.204 1.00 0.00 H new ATOM 0 HG23 THR A 20 -24.036 -3.152 6.307 1.00 0.00 H new ATOM 375 N ARG A 21 -23.882 -3.587 3.324 1.00 0.00 N ATOM 376 CA ARG A 21 -24.245 -2.786 2.160 1.00 0.00 C ATOM 377 C ARG A 21 -23.499 -1.455 2.162 1.00 0.00 C ATOM 378 O ARG A 21 -23.608 -0.656 3.093 1.00 0.00 O ATOM 379 CB ARG A 21 -25.754 -2.538 2.136 1.00 0.00 C ATOM 380 CG ARG A 21 -26.526 -3.559 1.316 1.00 0.00 C ATOM 381 CD ARG A 21 -26.344 -4.966 1.863 1.00 0.00 C ATOM 382 NE ARG A 21 -27.464 -5.837 1.518 1.00 0.00 N ATOM 383 CZ ARG A 21 -28.595 -5.889 2.213 1.00 0.00 C ATOM 384 NH1 ARG A 21 -28.755 -5.124 3.284 1.00 0.00 N ATOM 385 NH2 ARG A 21 -29.570 -6.707 1.836 1.00 0.00 N ATOM 0 H ARG A 21 -24.669 -3.852 3.916 1.00 0.00 H new ATOM 0 HA ARG A 21 -23.961 -3.340 1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -26.131 -2.546 3.159 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -25.944 -1.543 1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -27.585 -3.302 1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -26.190 -3.524 0.280 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -25.420 -5.391 1.470 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -26.239 -4.923 2.947 1.00 0.00 H new ATOM 0 HE ARG A 21 -27.373 -6.438 0.699 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -28.009 -4.493 3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -29.625 -5.166 3.816 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -29.451 -7.296 1.012 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -30.438 -6.746 2.370 1.00 0.00 H new ATOM 399 N PRO A 22 -22.723 -1.209 1.097 1.00 0.00 N ATOM 400 CA PRO A 22 -21.945 0.025 0.952 1.00 0.00 C ATOM 401 C PRO A 22 -22.829 1.243 0.711 1.00 0.00 C ATOM 402 O PRO A 22 -23.438 1.379 -0.349 1.00 0.00 O ATOM 403 CB PRO A 22 -21.069 -0.250 -0.273 1.00 0.00 C ATOM 404 CG PRO A 22 -21.824 -1.267 -1.058 1.00 0.00 C ATOM 405 CD PRO A 22 -22.546 -2.117 -0.050 1.00 0.00 C ATOM 0 HA PRO A 22 -21.380 0.258 1.854 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -20.905 0.657 -0.854 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.087 -0.623 0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -22.527 -0.790 -1.741 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.149 -1.870 -1.665 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -23.503 -2.471 -0.434 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -21.966 -2.999 0.221 1.00 0.00 H new ATOM 413 N GLU A 23 -22.894 2.126 1.703 1.00 0.00 N ATOM 414 CA GLU A 23 -23.706 3.334 1.598 1.00 0.00 C ATOM 415 C GLU A 23 -22.847 4.533 1.207 1.00 0.00 C ATOM 416 O GLU A 23 -21.623 4.520 1.332 1.00 0.00 O ATOM 417 CB GLU A 23 -24.419 3.613 2.922 1.00 0.00 C ATOM 418 CG GLU A 23 -25.800 2.986 3.013 1.00 0.00 C ATOM 419 CD GLU A 23 -26.589 3.123 1.725 1.00 0.00 C ATOM 420 OE1 GLU A 23 -26.452 2.242 0.850 1.00 0.00 O ATOM 421 OE2 GLU A 23 -27.342 4.110 1.592 1.00 0.00 O ATOM 0 H GLU A 23 -22.395 2.028 2.587 1.00 0.00 H new ATOM 0 HA GLU A 23 -24.452 3.174 0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -23.805 3.240 3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -24.509 4.691 3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -25.700 1.930 3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -26.355 3.454 3.826 1.00 0.00 H new ATOM 428 N PRO A 24 -23.504 5.597 0.721 1.00 0.00 N ATOM 429 CA PRO A 24 -22.822 6.825 0.302 1.00 0.00 C ATOM 430 C PRO A 24 -22.243 7.598 1.482 1.00 0.00 C ATOM 431 O PRO A 24 -21.819 8.744 1.338 1.00 0.00 O ATOM 432 CB PRO A 24 -23.931 7.634 -0.375 1.00 0.00 C ATOM 433 CG PRO A 24 -25.193 7.139 0.244 1.00 0.00 C ATOM 434 CD PRO A 24 -24.963 5.683 0.544 1.00 0.00 C ATOM 0 HA PRO A 24 -21.971 6.617 -0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -23.800 8.703 -0.207 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -23.932 7.479 -1.454 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -25.425 7.693 1.154 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -26.037 7.269 -0.433 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -25.496 5.369 1.441 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -25.307 5.046 -0.271 1.00 0.00 H new ATOM 442 N GLY A 25 -22.228 6.963 2.650 1.00 0.00 N ATOM 443 CA GLY A 25 -21.699 7.607 3.838 1.00 0.00 C ATOM 444 C GLY A 25 -21.430 6.624 4.959 1.00 0.00 C ATOM 445 O GLY A 25 -20.313 6.547 5.472 1.00 0.00 O ATOM 0 H GLY A 25 -22.573 6.014 2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.775 8.126 3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -22.405 8.362 4.183 1.00 0.00 H new ATOM 449 N ILE A 26 -22.456 5.871 5.343 1.00 0.00 N ATOM 450 CA ILE A 26 -22.325 4.889 6.411 1.00 0.00 C ATOM 451 C ILE A 26 -21.165 3.935 6.142 1.00 0.00 C ATOM 452 O ILE A 26 -20.116 4.022 6.779 1.00 0.00 O ATOM 453 CB ILE A 26 -23.618 4.071 6.586 1.00 0.00 C ATOM 454 CG1 ILE A 26 -24.743 4.961 7.117 1.00 0.00 C ATOM 455 CG2 ILE A 26 -23.378 2.895 7.522 1.00 0.00 C ATOM 456 CD1 ILE A 26 -25.277 5.937 6.092 1.00 0.00 C ATOM 0 H ILE A 26 -23.387 5.923 4.930 1.00 0.00 H new ATOM 0 HA ILE A 26 -22.130 5.445 7.328 1.00 0.00 H new ATOM 0 HB ILE A 26 -23.918 3.681 5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -25.560 4.330 7.466 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.378 5.517 7.981 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.301 2.326 7.636 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.604 2.251 7.106 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -23.057 3.265 8.496 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -26.072 6.535 6.538 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -24.472 6.593 5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -25.672 5.387 5.238 1.00 0.00 H new ATOM 468 N SER A 27 -21.362 3.026 5.193 1.00 0.00 N ATOM 469 CA SER A 27 -20.334 2.054 4.840 1.00 0.00 C ATOM 470 C SER A 27 -19.973 2.158 3.361 1.00 0.00 C ATOM 471 O SER A 27 -20.711 2.747 2.569 1.00 0.00 O ATOM 472 CB SER A 27 -20.810 0.637 5.162 1.00 0.00 C ATOM 473 OG SER A 27 -19.850 -0.326 4.765 1.00 0.00 O ATOM 0 H SER A 27 -22.224 2.942 4.655 1.00 0.00 H new ATOM 0 HA SER A 27 -19.444 2.273 5.430 1.00 0.00 H new ATOM 0 HB2 SER A 27 -20.998 0.548 6.232 1.00 0.00 H new ATOM 0 HB3 SER A 27 -21.755 0.443 4.655 1.00 0.00 H new ATOM 0 HG SER A 27 -20.177 -1.224 4.983 1.00 0.00 H new ATOM 479 N CYS A 28 -18.833 1.583 2.995 1.00 0.00 N ATOM 480 CA CYS A 28 -18.372 1.609 1.612 1.00 0.00 C ATOM 481 C CYS A 28 -17.922 0.222 1.162 1.00 0.00 C ATOM 482 O CYS A 28 -17.754 -0.683 1.979 1.00 0.00 O ATOM 483 CB CYS A 28 -17.222 2.606 1.455 1.00 0.00 C ATOM 484 SG CYS A 28 -15.615 1.988 2.051 1.00 0.00 S ATOM 0 H CYS A 28 -18.211 1.093 3.637 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.205 1.923 0.983 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.129 2.874 0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.471 3.519 1.995 1.00 0.00 H new ATOM 489 N ASP A 29 -17.730 0.064 -0.143 1.00 0.00 N ATOM 490 CA ASP A 29 -17.299 -1.212 -0.703 1.00 0.00 C ATOM 491 C ASP A 29 -15.942 -1.622 -0.139 1.00 0.00 C ATOM 492 O ASP A 29 -15.105 -0.774 0.173 1.00 0.00 O ATOM 493 CB ASP A 29 -17.225 -1.125 -2.228 1.00 0.00 C ATOM 494 CG ASP A 29 -18.308 -0.237 -2.810 1.00 0.00 C ATOM 495 OD1 ASP A 29 -19.408 -0.753 -3.096 1.00 0.00 O ATOM 496 OD2 ASP A 29 -18.054 0.974 -2.981 1.00 0.00 O ATOM 0 H ASP A 29 -17.866 0.803 -0.833 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.032 -1.969 -0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.248 -0.741 -2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.313 -2.126 -2.651 1.00 0.00 H new ATOM 501 N LEU A 30 -15.731 -2.927 -0.009 1.00 0.00 N ATOM 502 CA LEU A 30 -14.476 -3.451 0.519 1.00 0.00 C ATOM 503 C LEU A 30 -13.542 -3.870 -0.612 1.00 0.00 C ATOM 504 O LEU A 30 -13.993 -4.296 -1.676 1.00 0.00 O ATOM 505 CB LEU A 30 -14.745 -4.641 1.441 1.00 0.00 C ATOM 506 CG LEU A 30 -14.953 -4.310 2.920 1.00 0.00 C ATOM 507 CD1 LEU A 30 -15.732 -5.418 3.610 1.00 0.00 C ATOM 508 CD2 LEU A 30 -13.614 -4.087 3.610 1.00 0.00 C ATOM 0 H LEU A 30 -16.413 -3.642 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.992 -2.659 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.630 -5.164 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.909 -5.335 1.359 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.532 -3.389 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.870 -5.165 4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.705 -5.530 3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -15.180 -6.354 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.781 -3.853 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.009 -4.990 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.092 -3.258 3.132 1.00 0.00 H new ATOM 520 N ILE A 31 -12.241 -3.749 -0.374 1.00 0.00 N ATOM 521 CA ILE A 31 -11.245 -4.119 -1.371 1.00 0.00 C ATOM 522 C ILE A 31 -10.033 -4.778 -0.720 1.00 0.00 C ATOM 523 O ILE A 31 -9.573 -4.349 0.337 1.00 0.00 O ATOM 524 CB ILE A 31 -10.776 -2.895 -2.180 1.00 0.00 C ATOM 525 CG1 ILE A 31 -10.170 -1.843 -1.249 1.00 0.00 C ATOM 526 CG2 ILE A 31 -11.935 -2.307 -2.970 1.00 0.00 C ATOM 527 CD1 ILE A 31 -8.685 -2.020 -1.023 1.00 0.00 C ATOM 0 H ILE A 31 -11.852 -3.397 0.501 1.00 0.00 H new ATOM 0 HA ILE A 31 -11.723 -4.829 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.008 -3.215 -2.884 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.350 -0.853 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -10.683 -1.881 -0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -11.588 -1.443 -3.536 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -12.325 -3.058 -3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -12.723 -1.998 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.323 -1.240 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.499 -2.997 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.161 -1.952 -1.976 1.00 0.00 H new ATOM 539 N GLY A 32 -9.520 -5.825 -1.360 1.00 0.00 N ATOM 540 CA GLY A 32 -8.366 -6.526 -0.829 1.00 0.00 C ATOM 541 C GLY A 32 -7.067 -5.796 -1.106 1.00 0.00 C ATOM 542 O GLY A 32 -6.855 -5.285 -2.206 1.00 0.00 O ATOM 0 H GLY A 32 -9.883 -6.200 -2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.485 -6.653 0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.319 -7.524 -1.265 1.00 0.00 H new ATOM 546 N CYS A 33 -6.194 -5.744 -0.105 1.00 0.00 N ATOM 547 CA CYS A 33 -4.909 -5.069 -0.244 1.00 0.00 C ATOM 548 C CYS A 33 -4.347 -5.254 -1.650 1.00 0.00 C ATOM 549 O CYS A 33 -4.342 -6.353 -2.205 1.00 0.00 O ATOM 550 CB CYS A 33 -3.915 -5.603 0.789 1.00 0.00 C ATOM 551 SG CYS A 33 -2.521 -4.481 1.129 1.00 0.00 S ATOM 0 H CYS A 33 -6.353 -6.162 0.812 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.065 -4.004 -0.072 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.446 -5.798 1.721 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.522 -6.558 0.440 1.00 0.00 H new ATOM 556 N PRO A 34 -3.861 -4.153 -2.242 1.00 0.00 N ATOM 557 CA PRO A 34 -3.287 -4.167 -3.591 1.00 0.00 C ATOM 558 C PRO A 34 -1.953 -4.904 -3.645 1.00 0.00 C ATOM 559 O PRO A 34 -1.394 -5.120 -4.721 1.00 0.00 O ATOM 560 CB PRO A 34 -3.091 -2.682 -3.909 1.00 0.00 C ATOM 561 CG PRO A 34 -2.960 -2.024 -2.578 1.00 0.00 C ATOM 562 CD PRO A 34 -3.834 -2.809 -1.640 1.00 0.00 C ATOM 0 HA PRO A 34 -3.929 -4.688 -4.302 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.202 -2.522 -4.519 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.937 -2.282 -4.467 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.923 -2.028 -2.241 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.276 -0.982 -2.625 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.423 -2.829 -0.630 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.834 -2.380 -1.569 1.00 0.00 H new ATOM 570 N LEU A 35 -1.447 -5.288 -2.478 1.00 0.00 N ATOM 571 CA LEU A 35 -0.177 -6.002 -2.393 1.00 0.00 C ATOM 572 C LEU A 35 -0.391 -7.439 -1.930 1.00 0.00 C ATOM 573 O LEU A 35 0.530 -8.085 -1.429 1.00 0.00 O ATOM 574 CB LEU A 35 0.772 -5.281 -1.434 1.00 0.00 C ATOM 575 CG LEU A 35 0.930 -3.776 -1.651 1.00 0.00 C ATOM 576 CD1 LEU A 35 -0.050 -3.005 -0.780 1.00 0.00 C ATOM 577 CD2 LEU A 35 2.359 -3.342 -1.360 1.00 0.00 C ATOM 0 H LEU A 35 -1.896 -5.117 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 35 0.268 -6.023 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.421 -5.446 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.756 -5.744 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 35 0.709 -3.554 -2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.077 -1.936 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.069 -3.294 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.139 -3.232 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.453 -2.268 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.607 -3.578 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.042 -3.869 -2.026 1.00 0.00 H new ATOM 589 N VAL A 36 -1.612 -7.936 -2.103 1.00 0.00 N ATOM 590 CA VAL A 36 -1.946 -9.299 -1.706 1.00 0.00 C ATOM 591 C VAL A 36 -1.335 -9.643 -0.353 1.00 0.00 C ATOM 592 O VAL A 36 -0.888 -10.768 -0.129 1.00 0.00 O ATOM 593 CB VAL A 36 -1.463 -10.322 -2.751 1.00 0.00 C ATOM 594 CG1 VAL A 36 -2.046 -10.005 -4.119 1.00 0.00 C ATOM 595 CG2 VAL A 36 0.057 -10.350 -2.804 1.00 0.00 C ATOM 0 H VAL A 36 -2.386 -7.415 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.032 -9.350 -1.634 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.813 -11.311 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.693 -10.739 -4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.134 -10.040 -4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.729 -9.009 -4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.382 -11.078 -3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.430 -9.363 -3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.450 -10.630 -1.827 1.00 0.00 H new ATOM 605 N CYS A 37 -1.319 -8.666 0.548 1.00 0.00 N ATOM 606 CA CYS A 37 -0.763 -8.864 1.881 1.00 0.00 C ATOM 607 C CYS A 37 -1.561 -9.910 2.654 1.00 0.00 C ATOM 608 O CYS A 37 -1.031 -10.586 3.534 1.00 0.00 O ATOM 609 CB CYS A 37 -0.750 -7.543 2.653 1.00 0.00 C ATOM 610 SG CYS A 37 -2.295 -7.192 3.551 1.00 0.00 S ATOM 0 H CYS A 37 -1.685 -7.729 0.379 1.00 0.00 H new ATOM 0 HA CYS A 37 0.260 -9.222 1.770 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.076 -7.558 3.364 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.555 -6.729 1.955 1.00 0.00 H new ATOM 615 N GLY A 38 -2.842 -10.036 2.319 1.00 0.00 N ATOM 616 CA GLY A 38 -3.694 -11.000 2.990 1.00 0.00 C ATOM 617 C GLY A 38 -4.616 -10.352 4.004 1.00 0.00 C ATOM 618 O GLY A 38 -4.822 -10.884 5.094 1.00 0.00 O ATOM 0 H GLY A 38 -3.305 -9.487 1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.291 -11.531 2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.073 -11.743 3.491 1.00 0.00 H new ATOM 622 N ALA A 39 -5.171 -9.199 3.645 1.00 0.00 N ATOM 623 CA ALA A 39 -6.076 -8.479 4.531 1.00 0.00 C ATOM 624 C ALA A 39 -7.111 -7.691 3.736 1.00 0.00 C ATOM 625 O ALA A 39 -6.772 -6.972 2.796 1.00 0.00 O ATOM 626 CB ALA A 39 -5.291 -7.549 5.445 1.00 0.00 C ATOM 0 H ALA A 39 -5.009 -8.744 2.747 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.605 -9.211 5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.980 -7.017 6.102 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.594 -8.133 6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.736 -6.830 4.843 1.00 0.00 H new ATOM 632 N VAL A 40 -8.377 -7.831 4.119 1.00 0.00 N ATOM 633 CA VAL A 40 -9.462 -7.132 3.441 1.00 0.00 C ATOM 634 C VAL A 40 -9.944 -5.940 4.261 1.00 0.00 C ATOM 635 O VAL A 40 -10.441 -6.100 5.376 1.00 0.00 O ATOM 636 CB VAL A 40 -10.653 -8.071 3.172 1.00 0.00 C ATOM 637 CG1 VAL A 40 -11.786 -7.316 2.494 1.00 0.00 C ATOM 638 CG2 VAL A 40 -10.214 -9.259 2.329 1.00 0.00 C ATOM 0 H VAL A 40 -8.676 -8.422 4.895 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.065 -6.779 2.489 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.020 -8.447 4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.618 -7.996 2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.117 -6.501 3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.436 -6.909 1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.068 -9.912 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.821 -8.904 1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.438 -9.813 2.857 1.00 0.00 H new ATOM 648 N PHE A 41 -9.795 -4.744 3.701 1.00 0.00 N ATOM 649 CA PHE A 41 -10.214 -3.524 4.380 1.00 0.00 C ATOM 650 C PHE A 41 -11.015 -2.627 3.440 1.00 0.00 C ATOM 651 O PHE A 41 -10.915 -2.742 2.218 1.00 0.00 O ATOM 652 CB PHE A 41 -8.996 -2.766 4.912 1.00 0.00 C ATOM 653 CG PHE A 41 -7.789 -2.874 4.025 1.00 0.00 C ATOM 654 CD1 PHE A 41 -6.934 -3.960 4.125 1.00 0.00 C ATOM 655 CD2 PHE A 41 -7.509 -1.889 3.092 1.00 0.00 C ATOM 656 CE1 PHE A 41 -5.822 -4.062 3.310 1.00 0.00 C ATOM 657 CE2 PHE A 41 -6.399 -1.986 2.274 1.00 0.00 C ATOM 658 CZ PHE A 41 -5.554 -3.073 2.384 1.00 0.00 C ATOM 0 H PHE A 41 -9.387 -4.594 2.778 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.852 -3.805 5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.256 -1.714 5.032 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.745 -3.147 5.902 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.139 -4.736 4.848 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.165 -1.036 3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.164 -4.914 3.397 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.193 -1.212 1.549 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.685 -3.149 1.747 1.00 0.00 H new ATOM 668 N HIS A 42 -11.810 -1.733 4.020 1.00 0.00 N ATOM 669 CA HIS A 42 -12.628 -0.815 3.236 1.00 0.00 C ATOM 670 C HIS A 42 -11.755 0.087 2.369 1.00 0.00 C ATOM 671 O HIS A 42 -10.818 0.717 2.859 1.00 0.00 O ATOM 672 CB HIS A 42 -13.504 0.035 4.156 1.00 0.00 C ATOM 673 CG HIS A 42 -14.721 -0.680 4.655 1.00 0.00 C ATOM 674 ND1 HIS A 42 -15.929 -0.665 3.989 1.00 0.00 N ATOM 675 CD2 HIS A 42 -14.913 -1.437 5.760 1.00 0.00 C ATOM 676 CE1 HIS A 42 -16.811 -1.380 4.664 1.00 0.00 C ATOM 677 NE2 HIS A 42 -16.219 -1.860 5.743 1.00 0.00 N ATOM 0 H HIS A 42 -11.905 -1.625 5.030 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.269 -1.407 2.583 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -12.910 0.362 5.009 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.814 0.933 3.621 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -16.113 -0.178 3.112 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -14.176 -1.666 6.515 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.840 -1.544 4.382 1.00 0.00 H new ATOM 685 N SER A 43 -12.068 0.143 1.078 1.00 0.00 N ATOM 686 CA SER A 43 -11.308 0.964 0.142 1.00 0.00 C ATOM 687 C SER A 43 -10.861 2.265 0.801 1.00 0.00 C ATOM 688 O SER A 43 -9.742 2.731 0.585 1.00 0.00 O ATOM 689 CB SER A 43 -12.149 1.269 -1.099 1.00 0.00 C ATOM 690 OG SER A 43 -13.242 2.113 -0.780 1.00 0.00 O ATOM 0 H SER A 43 -12.842 -0.370 0.657 1.00 0.00 H new ATOM 0 HA SER A 43 -10.421 0.406 -0.157 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.526 1.746 -1.856 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.518 0.338 -1.530 1.00 0.00 H new ATOM 0 HG SER A 43 -13.763 2.294 -1.590 1.00 0.00 H new ATOM 696 N CYS A 44 -11.744 2.848 1.605 1.00 0.00 N ATOM 697 CA CYS A 44 -11.443 4.096 2.296 1.00 0.00 C ATOM 698 C CYS A 44 -10.386 3.879 3.375 1.00 0.00 C ATOM 699 O CYS A 44 -9.449 4.666 3.510 1.00 0.00 O ATOM 700 CB CYS A 44 -12.713 4.677 2.919 1.00 0.00 C ATOM 701 SG CYS A 44 -13.234 3.848 4.456 1.00 0.00 S ATOM 0 H CYS A 44 -12.675 2.476 1.794 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.050 4.802 1.565 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.552 5.735 3.126 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -13.523 4.614 2.192 1.00 0.00 H new ATOM 706 N LYS A 45 -10.544 2.806 4.143 1.00 0.00 N ATOM 707 CA LYS A 45 -9.605 2.482 5.210 1.00 0.00 C ATOM 708 C LYS A 45 -8.228 2.155 4.642 1.00 0.00 C ATOM 709 O LYS A 45 -7.206 2.414 5.277 1.00 0.00 O ATOM 710 CB LYS A 45 -10.123 1.301 6.033 1.00 0.00 C ATOM 711 CG LYS A 45 -11.452 1.572 6.716 1.00 0.00 C ATOM 712 CD LYS A 45 -11.306 2.583 7.840 1.00 0.00 C ATOM 713 CE LYS A 45 -11.003 1.903 9.166 1.00 0.00 C ATOM 714 NZ LYS A 45 -10.201 2.776 10.068 1.00 0.00 N ATOM 0 H LYS A 45 -11.315 2.145 4.046 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.514 3.355 5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.229 0.434 5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.381 1.043 6.789 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.169 1.942 5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.854 0.640 7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.507 3.284 7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.224 3.164 7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.938 1.634 9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.461 0.975 8.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.016 2.276 10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.298 3.012 9.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.729 3.650 10.264 1.00 0.00 H new ATOM 728 N ALA A 46 -8.208 1.585 3.441 1.00 0.00 N ATOM 729 CA ALA A 46 -6.957 1.226 2.786 1.00 0.00 C ATOM 730 C ALA A 46 -5.895 2.298 3.005 1.00 0.00 C ATOM 731 O ALA A 46 -4.858 2.043 3.618 1.00 0.00 O ATOM 732 CB ALA A 46 -7.185 1.002 1.299 1.00 0.00 C ATOM 0 H ALA A 46 -9.045 1.362 2.902 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.596 0.298 3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.242 0.734 0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.904 0.195 1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.573 1.916 0.849 1.00 0.00 H new ATOM 738 N ASP A 47 -6.160 3.498 2.500 1.00 0.00 N ATOM 739 CA ASP A 47 -5.227 4.610 2.641 1.00 0.00 C ATOM 740 C ASP A 47 -4.551 4.583 4.008 1.00 0.00 C ATOM 741 O ASP A 47 -3.384 4.949 4.142 1.00 0.00 O ATOM 742 CB ASP A 47 -5.953 5.942 2.444 1.00 0.00 C ATOM 743 CG ASP A 47 -6.835 5.943 1.211 1.00 0.00 C ATOM 744 OD1 ASP A 47 -6.459 5.295 0.212 1.00 0.00 O ATOM 745 OD2 ASP A 47 -7.902 6.593 1.244 1.00 0.00 O ATOM 0 H ASP A 47 -7.013 3.726 1.989 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.460 4.506 1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.562 6.154 3.323 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.219 6.744 2.363 1.00 0.00 H new ATOM 750 N GLU A 48 -5.294 4.147 5.021 1.00 0.00 N ATOM 751 CA GLU A 48 -4.766 4.074 6.379 1.00 0.00 C ATOM 752 C GLU A 48 -4.086 2.731 6.626 1.00 0.00 C ATOM 753 O GLU A 48 -3.045 2.661 7.282 1.00 0.00 O ATOM 754 CB GLU A 48 -5.888 4.285 7.398 1.00 0.00 C ATOM 755 CG GLU A 48 -6.645 5.589 7.208 1.00 0.00 C ATOM 756 CD GLU A 48 -7.434 5.990 8.439 1.00 0.00 C ATOM 757 OE1 GLU A 48 -7.078 5.534 9.546 1.00 0.00 O ATOM 758 OE2 GLU A 48 -8.407 6.759 8.296 1.00 0.00 O ATOM 0 H GLU A 48 -6.262 3.839 4.927 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.025 4.864 6.497 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.590 3.454 7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.464 4.263 8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.939 6.382 6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.325 5.490 6.362 1.00 0.00 H new ATOM 765 N HIS A 49 -4.681 1.666 6.098 1.00 0.00 N ATOM 766 CA HIS A 49 -4.133 0.324 6.262 1.00 0.00 C ATOM 767 C HIS A 49 -2.715 0.245 5.704 1.00 0.00 C ATOM 768 O HIS A 49 -1.794 -0.206 6.385 1.00 0.00 O ATOM 769 CB HIS A 49 -5.026 -0.703 5.564 1.00 0.00 C ATOM 770 CG HIS A 49 -4.374 -2.039 5.383 1.00 0.00 C ATOM 771 ND1 HIS A 49 -4.387 -3.020 6.352 1.00 0.00 N ATOM 772 CD2 HIS A 49 -3.688 -2.554 4.336 1.00 0.00 C ATOM 773 CE1 HIS A 49 -3.736 -4.081 5.910 1.00 0.00 C ATOM 774 NE2 HIS A 49 -3.302 -3.824 4.688 1.00 0.00 N ATOM 0 H HIS A 49 -5.542 1.706 5.553 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.099 0.100 7.328 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.941 -0.830 6.143 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.318 -0.315 4.588 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -4.830 -2.939 7.267 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.483 -2.059 3.399 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.584 -5.001 6.454 1.00 0.00 H new ATOM 782 N ARG A 50 -2.548 0.685 4.461 1.00 0.00 N ATOM 783 CA ARG A 50 -1.243 0.662 3.812 1.00 0.00 C ATOM 784 C ARG A 50 -0.150 1.123 4.771 1.00 0.00 C ATOM 785 O ARG A 50 0.950 0.570 4.789 1.00 0.00 O ATOM 786 CB ARG A 50 -1.253 1.551 2.567 1.00 0.00 C ATOM 787 CG ARG A 50 -0.997 3.019 2.866 1.00 0.00 C ATOM 788 CD ARG A 50 -0.877 3.835 1.588 1.00 0.00 C ATOM 789 NE ARG A 50 -0.323 5.163 1.836 1.00 0.00 N ATOM 790 CZ ARG A 50 0.273 5.897 0.903 1.00 0.00 C ATOM 791 NH1 ARG A 50 0.391 5.434 -0.334 1.00 0.00 N ATOM 792 NH2 ARG A 50 0.752 7.097 1.207 1.00 0.00 N ATOM 0 H ARG A 50 -3.300 1.062 3.884 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.031 -0.365 3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.496 1.193 1.869 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.217 1.453 2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.809 3.414 3.476 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.082 3.118 3.450 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.243 3.305 0.878 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.860 3.933 1.127 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.398 5.548 2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.024 4.512 -0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.849 6.000 -1.049 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.663 7.456 2.158 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.210 7.660 0.490 1.00 0.00 H new ATOM 806 N LEU A 51 -0.460 2.141 5.567 1.00 0.00 N ATOM 807 CA LEU A 51 0.496 2.678 6.529 1.00 0.00 C ATOM 808 C LEU A 51 1.015 1.581 7.453 1.00 0.00 C ATOM 809 O LEU A 51 2.208 1.518 7.751 1.00 0.00 O ATOM 810 CB LEU A 51 -0.152 3.791 7.355 1.00 0.00 C ATOM 811 CG LEU A 51 -0.548 5.053 6.587 1.00 0.00 C ATOM 812 CD1 LEU A 51 -1.386 5.970 7.464 1.00 0.00 C ATOM 813 CD2 LEU A 51 0.689 5.780 6.082 1.00 0.00 C ATOM 0 H LEU A 51 -1.365 2.611 5.565 1.00 0.00 H new ATOM 0 HA LEU A 51 1.339 3.089 5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.043 3.388 7.836 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.538 4.075 8.150 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.148 4.758 5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.659 6.863 6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.290 5.448 7.777 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.811 6.258 8.344 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.388 6.675 5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.316 6.063 6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.251 5.124 5.418 1.00 0.00 H new ATOM 825 N LEU A 52 0.111 0.716 7.901 1.00 0.00 N ATOM 826 CA LEU A 52 0.477 -0.382 8.789 1.00 0.00 C ATOM 827 C LEU A 52 0.968 -1.586 7.992 1.00 0.00 C ATOM 828 O LEU A 52 2.038 -2.132 8.267 1.00 0.00 O ATOM 829 CB LEU A 52 -0.717 -0.782 9.656 1.00 0.00 C ATOM 830 CG LEU A 52 -1.592 0.364 10.165 1.00 0.00 C ATOM 831 CD1 LEU A 52 -2.785 -0.177 10.937 1.00 0.00 C ATOM 832 CD2 LEU A 52 -0.778 1.312 11.033 1.00 0.00 C ATOM 0 H LEU A 52 -0.880 0.754 7.664 1.00 0.00 H new ATOM 0 HA LEU A 52 1.288 -0.041 9.433 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.344 -1.464 9.082 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.345 -1.338 10.517 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.964 0.920 9.305 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.396 0.653 11.291 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.382 -0.814 10.285 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.434 -0.758 11.789 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.417 2.121 11.386 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.376 0.768 11.888 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.043 1.727 10.448 1.00 0.00 H new ATOM 844 N CYS A 53 0.181 -1.995 7.003 1.00 0.00 N ATOM 845 CA CYS A 53 0.536 -3.134 6.164 1.00 0.00 C ATOM 846 C CYS A 53 2.048 -3.228 5.986 1.00 0.00 C ATOM 847 O CYS A 53 2.720 -2.254 5.647 1.00 0.00 O ATOM 848 CB CYS A 53 -0.144 -3.018 4.798 1.00 0.00 C ATOM 849 SG CYS A 53 0.127 -4.454 3.709 1.00 0.00 S ATOM 0 H CYS A 53 -0.707 -1.555 6.763 1.00 0.00 H new ATOM 0 HA CYS A 53 0.190 -4.041 6.659 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.216 -2.886 4.947 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.221 -2.121 4.297 1.00 0.00 H new ATOM 854 N PRO A 54 2.597 -4.430 6.218 1.00 0.00 N ATOM 855 CA PRO A 54 4.036 -4.681 6.089 1.00 0.00 C ATOM 856 C PRO A 54 4.503 -4.639 4.638 1.00 0.00 C ATOM 857 O PRO A 54 5.644 -4.275 4.354 1.00 0.00 O ATOM 858 CB PRO A 54 4.203 -6.089 6.664 1.00 0.00 C ATOM 859 CG PRO A 54 2.872 -6.734 6.480 1.00 0.00 C ATOM 860 CD PRO A 54 1.856 -5.635 6.625 1.00 0.00 C ATOM 0 HA PRO A 54 4.630 -3.924 6.601 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.985 -6.640 6.142 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.485 -6.056 7.716 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.799 -7.206 5.500 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.711 -7.515 7.223 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.986 -5.805 5.990 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.492 -5.556 7.650 1.00 0.00 H new ATOM 868 N PHE A 55 3.615 -5.014 3.724 1.00 0.00 N ATOM 869 CA PHE A 55 3.937 -5.020 2.302 1.00 0.00 C ATOM 870 C PHE A 55 4.217 -3.606 1.802 1.00 0.00 C ATOM 871 O PHE A 55 5.089 -3.395 0.960 1.00 0.00 O ATOM 872 CB PHE A 55 2.791 -5.640 1.500 1.00 0.00 C ATOM 873 CG PHE A 55 2.881 -7.135 1.383 1.00 0.00 C ATOM 874 CD1 PHE A 55 2.894 -7.932 2.516 1.00 0.00 C ATOM 875 CD2 PHE A 55 2.951 -7.743 0.140 1.00 0.00 C ATOM 876 CE1 PHE A 55 2.977 -9.307 2.412 1.00 0.00 C ATOM 877 CE2 PHE A 55 3.034 -9.118 0.029 1.00 0.00 C ATOM 878 CZ PHE A 55 3.046 -9.901 1.167 1.00 0.00 C ATOM 0 H PHE A 55 2.666 -5.318 3.943 1.00 0.00 H new ATOM 0 HA PHE A 55 4.836 -5.621 2.161 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.844 -5.377 1.972 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.781 -5.205 0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.839 -7.473 3.492 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.941 -7.135 -0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.988 -9.917 3.303 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.089 -9.580 -0.946 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.109 -10.976 1.083 1.00 0.00 H new ATOM 888 N GLU A 56 3.468 -2.640 2.326 1.00 0.00 N ATOM 889 CA GLU A 56 3.634 -1.246 1.932 1.00 0.00 C ATOM 890 C GLU A 56 5.112 -0.873 1.864 1.00 0.00 C ATOM 891 O GLU A 56 5.904 -1.272 2.717 1.00 0.00 O ATOM 892 CB GLU A 56 2.909 -0.325 2.915 1.00 0.00 C ATOM 893 CG GLU A 56 2.491 1.004 2.309 1.00 0.00 C ATOM 894 CD GLU A 56 1.842 0.846 0.947 1.00 0.00 C ATOM 895 OE1 GLU A 56 1.073 -0.121 0.766 1.00 0.00 O ATOM 896 OE2 GLU A 56 2.104 1.689 0.064 1.00 0.00 O ATOM 0 H GLU A 56 2.741 -2.798 3.024 1.00 0.00 H new ATOM 0 HA GLU A 56 3.199 -1.121 0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.024 -0.836 3.294 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.559 -0.137 3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.795 1.504 2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.365 1.649 2.218 1.00 0.00 H new ATOM 903 N ARG A 57 5.475 -0.104 0.842 1.00 0.00 N ATOM 904 CA ARG A 57 6.858 0.322 0.660 1.00 0.00 C ATOM 905 C ARG A 57 7.302 1.229 1.805 1.00 0.00 C ATOM 906 O ARG A 57 6.668 2.245 2.087 1.00 0.00 O ATOM 907 CB ARG A 57 7.017 1.052 -0.674 1.00 0.00 C ATOM 908 CG ARG A 57 8.418 1.596 -0.907 1.00 0.00 C ATOM 909 CD ARG A 57 8.408 2.758 -1.888 1.00 0.00 C ATOM 910 NE ARG A 57 8.065 4.020 -1.237 1.00 0.00 N ATOM 911 CZ ARG A 57 8.298 5.212 -1.776 1.00 0.00 C ATOM 912 NH1 ARG A 57 8.871 5.303 -2.969 1.00 0.00 N ATOM 913 NH2 ARG A 57 7.958 6.315 -1.123 1.00 0.00 N ATOM 0 H ARG A 57 4.831 0.237 0.128 1.00 0.00 H new ATOM 0 HA ARG A 57 7.489 -0.567 0.657 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.762 0.370 -1.485 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.305 1.876 -0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.845 1.922 0.041 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.059 0.802 -1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.389 2.846 -2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.692 2.554 -2.684 1.00 0.00 H new ATOM 0 HE ARG A 57 7.623 3.984 -0.319 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.134 4.457 -3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.049 6.219 -3.381 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.517 6.249 -0.206 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.138 7.229 -1.538 1.00 0.00 H new ATOM 927 N VAL A 58 8.395 0.852 2.461 1.00 0.00 N ATOM 928 CA VAL A 58 8.924 1.631 3.574 1.00 0.00 C ATOM 929 C VAL A 58 10.439 1.774 3.473 1.00 0.00 C ATOM 930 O VAL A 58 11.139 0.893 2.973 1.00 0.00 O ATOM 931 CB VAL A 58 8.569 0.988 4.928 1.00 0.00 C ATOM 932 CG1 VAL A 58 7.062 0.839 5.069 1.00 0.00 C ATOM 933 CG2 VAL A 58 9.263 -0.358 5.076 1.00 0.00 C ATOM 0 H VAL A 58 8.931 0.012 2.241 1.00 0.00 H new ATOM 0 HA VAL A 58 8.464 2.618 3.517 1.00 0.00 H new ATOM 0 HB VAL A 58 8.921 1.642 5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.830 0.383 6.031 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.592 1.821 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.682 0.206 4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.001 -0.798 6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.943 -1.023 4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.343 -0.218 5.022 1.00 0.00 H new ATOM 943 N PRO A 59 10.959 2.910 3.961 1.00 0.00 N ATOM 944 CA PRO A 59 12.397 3.195 3.938 1.00 0.00 C ATOM 945 C PRO A 59 13.179 2.309 4.901 1.00 0.00 C ATOM 946 O PRO A 59 12.689 1.956 5.974 1.00 0.00 O ATOM 947 CB PRO A 59 12.475 4.660 4.377 1.00 0.00 C ATOM 948 CG PRO A 59 11.242 4.880 5.184 1.00 0.00 C ATOM 949 CD PRO A 59 10.185 4.003 4.571 1.00 0.00 C ATOM 0 HA PRO A 59 12.834 3.005 2.958 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.373 4.850 4.966 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.510 5.329 3.518 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.408 4.619 6.229 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.942 5.928 5.161 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.487 3.631 5.321 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.597 4.542 3.828 1.00 0.00 H new ATOM 957 N CYS A 60 14.398 1.951 4.512 1.00 0.00 N ATOM 958 CA CYS A 60 15.249 1.105 5.340 1.00 0.00 C ATOM 959 C CYS A 60 15.248 1.586 6.788 1.00 0.00 C ATOM 960 O CYS A 60 15.420 2.775 7.060 1.00 0.00 O ATOM 961 CB CYS A 60 16.679 1.095 4.795 1.00 0.00 C ATOM 962 SG CYS A 60 17.887 0.289 5.895 1.00 0.00 S ATOM 0 H CYS A 60 14.819 2.234 3.627 1.00 0.00 H new ATOM 0 HA CYS A 60 14.850 0.091 5.312 1.00 0.00 H new ATOM 0 HB2 CYS A 60 16.686 0.587 3.831 1.00 0.00 H new ATOM 0 HB3 CYS A 60 16.996 2.123 4.616 1.00 0.00 H new ATOM 967 N LEU A 61 15.054 0.653 7.715 1.00 0.00 N ATOM 968 CA LEU A 61 15.030 0.980 9.136 1.00 0.00 C ATOM 969 C LEU A 61 16.039 2.077 9.459 1.00 0.00 C ATOM 970 O LEU A 61 15.696 3.091 10.066 1.00 0.00 O ATOM 971 CB LEU A 61 15.330 -0.266 9.971 1.00 0.00 C ATOM 972 CG LEU A 61 14.122 -1.116 10.366 1.00 0.00 C ATOM 973 CD1 LEU A 61 14.573 -2.437 10.970 1.00 0.00 C ATOM 974 CD2 LEU A 61 13.233 -0.358 11.341 1.00 0.00 C ATOM 0 H LEU A 61 14.911 -0.335 7.507 1.00 0.00 H new ATOM 0 HA LEU A 61 14.033 1.344 9.383 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.024 -0.894 9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.843 0.046 10.881 1.00 0.00 H new ATOM 0 HG LEU A 61 13.543 -1.330 9.468 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.700 -3.028 11.245 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.168 -2.986 10.240 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.175 -2.244 11.858 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.378 -0.978 11.611 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.802 -0.114 12.238 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.881 0.561 10.873 1.00 0.00 H new ATOM 986 N ASN A 62 17.286 1.868 9.047 1.00 0.00 N ATOM 987 CA ASN A 62 18.345 2.841 9.291 1.00 0.00 C ATOM 988 C ASN A 62 18.335 3.934 8.227 1.00 0.00 C ATOM 989 O ASN A 62 19.388 4.402 7.793 1.00 0.00 O ATOM 990 CB ASN A 62 19.708 2.146 9.312 1.00 0.00 C ATOM 991 CG ASN A 62 19.921 1.254 8.104 1.00 0.00 C ATOM 992 OD1 ASN A 62 20.028 1.734 6.976 1.00 0.00 O ATOM 993 ND2 ASN A 62 19.985 -0.051 8.337 1.00 0.00 N ATOM 0 H ASN A 62 17.587 1.034 8.543 1.00 0.00 H new ATOM 0 HA ASN A 62 18.165 3.303 10.262 1.00 0.00 H new ATOM 0 HB2 ASN A 62 20.496 2.898 9.348 1.00 0.00 H new ATOM 0 HB3 ASN A 62 19.795 1.550 10.220 1.00 0.00 H new ATOM 0 HD21 ASN A 62 20.128 -0.701 7.564 1.00 0.00 H new ATOM 0 HD22 ASN A 62 19.891 -0.404 9.289 1.00 0.00 H new ATOM 1000 N SER A 63 17.138 4.338 7.813 1.00 0.00 N ATOM 1001 CA SER A 63 16.991 5.374 6.797 1.00 0.00 C ATOM 1002 C SER A 63 17.674 6.666 7.236 1.00 0.00 C ATOM 1003 O SER A 63 18.347 7.325 6.444 1.00 0.00 O ATOM 1004 CB SER A 63 15.510 5.637 6.518 1.00 0.00 C ATOM 1005 OG SER A 63 15.346 6.680 5.573 1.00 0.00 O ATOM 0 H SER A 63 16.257 3.964 8.165 1.00 0.00 H new ATOM 0 HA SER A 63 17.469 5.023 5.883 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.040 4.727 6.145 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.003 5.900 7.446 1.00 0.00 H new ATOM 0 HG SER A 63 14.391 6.827 5.411 1.00 0.00 H new ATOM 1011 N ASP A 64 17.496 7.020 8.504 1.00 0.00 N ATOM 1012 CA ASP A 64 18.096 8.232 9.050 1.00 0.00 C ATOM 1013 C ASP A 64 19.538 8.386 8.577 1.00 0.00 C ATOM 1014 O ASP A 64 19.960 9.472 8.181 1.00 0.00 O ATOM 1015 CB ASP A 64 18.047 8.206 10.579 1.00 0.00 C ATOM 1016 CG ASP A 64 18.059 9.597 11.182 1.00 0.00 C ATOM 1017 OD1 ASP A 64 18.719 10.488 10.607 1.00 0.00 O ATOM 1018 OD2 ASP A 64 17.407 9.795 12.228 1.00 0.00 O ATOM 0 H ASP A 64 16.942 6.485 9.173 1.00 0.00 H new ATOM 0 HA ASP A 64 17.522 9.086 8.690 1.00 0.00 H new ATOM 0 HB2 ASP A 64 17.148 7.681 10.902 1.00 0.00 H new ATOM 0 HB3 ASP A 64 18.899 7.642 10.957 1.00 0.00 H new ATOM 1023 N PHE A 65 20.290 7.291 8.622 1.00 0.00 N ATOM 1024 CA PHE A 65 21.686 7.304 8.201 1.00 0.00 C ATOM 1025 C PHE A 65 21.818 7.833 6.775 1.00 0.00 C ATOM 1026 O PHE A 65 22.771 8.540 6.450 1.00 0.00 O ATOM 1027 CB PHE A 65 22.282 5.898 8.292 1.00 0.00 C ATOM 1028 CG PHE A 65 22.841 5.570 9.647 1.00 0.00 C ATOM 1029 CD1 PHE A 65 22.013 5.512 10.757 1.00 0.00 C ATOM 1030 CD2 PHE A 65 24.194 5.322 9.811 1.00 0.00 C ATOM 1031 CE1 PHE A 65 22.524 5.211 12.005 1.00 0.00 C ATOM 1032 CE2 PHE A 65 24.710 5.019 11.057 1.00 0.00 C ATOM 1033 CZ PHE A 65 23.875 4.965 12.156 1.00 0.00 C ATOM 0 H PHE A 65 19.956 6.383 8.946 1.00 0.00 H new ATOM 0 HA PHE A 65 22.235 7.967 8.869 1.00 0.00 H new ATOM 0 HB2 PHE A 65 21.512 5.169 8.039 1.00 0.00 H new ATOM 0 HB3 PHE A 65 23.072 5.798 7.548 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.956 5.704 10.645 1.00 0.00 H new ATOM 0 HD2 PHE A 65 24.853 5.366 8.956 1.00 0.00 H new ATOM 0 HE1 PHE A 65 21.868 5.168 12.862 1.00 0.00 H new ATOM 0 HE2 PHE A 65 25.766 4.824 11.171 1.00 0.00 H new ATOM 0 HZ PHE A 65 24.277 4.731 13.131 1.00 0.00 H new ATOM 1043 N GLY A 66 20.855 7.483 5.929 1.00 0.00 N ATOM 1044 CA GLY A 66 20.882 7.930 4.548 1.00 0.00 C ATOM 1045 C GLY A 66 20.791 6.780 3.565 1.00 0.00 C ATOM 1046 O GLY A 66 21.460 6.783 2.531 1.00 0.00 O ATOM 0 H GLY A 66 20.056 6.898 6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.054 8.618 4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 66 21.802 8.487 4.367 1.00 0.00 H new ATOM 1050 N CYS A 67 19.961 5.793 3.886 1.00 0.00 N ATOM 1051 CA CYS A 67 19.786 4.630 3.025 1.00 0.00 C ATOM 1052 C CYS A 67 18.626 4.841 2.055 1.00 0.00 C ATOM 1053 O CYS A 67 17.457 4.846 2.439 1.00 0.00 O ATOM 1054 CB CYS A 67 19.538 3.377 3.868 1.00 0.00 C ATOM 1055 SG CYS A 67 19.920 1.816 3.010 1.00 0.00 S ATOM 0 H CYS A 67 19.399 5.776 4.737 1.00 0.00 H new ATOM 0 HA CYS A 67 20.701 4.496 2.447 1.00 0.00 H new ATOM 0 HB2 CYS A 67 20.140 3.437 4.775 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.493 3.362 4.179 1.00 0.00 H new ATOM 1060 N PRO A 68 18.957 5.019 0.767 1.00 0.00 N ATOM 1061 CA PRO A 68 17.958 5.233 -0.284 1.00 0.00 C ATOM 1062 C PRO A 68 17.137 3.980 -0.567 1.00 0.00 C ATOM 1063 O PRO A 68 16.101 4.041 -1.229 1.00 0.00 O ATOM 1064 CB PRO A 68 18.803 5.606 -1.505 1.00 0.00 C ATOM 1065 CG PRO A 68 20.132 4.982 -1.251 1.00 0.00 C ATOM 1066 CD PRO A 68 20.332 5.025 0.239 1.00 0.00 C ATOM 0 HA PRO A 68 17.229 5.993 -0.005 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.358 5.228 -2.425 1.00 0.00 H new ATOM 0 HB3 PRO A 68 18.887 6.687 -1.613 1.00 0.00 H new ATOM 0 HG2 PRO A 68 20.158 3.956 -1.619 1.00 0.00 H new ATOM 0 HG3 PRO A 68 20.923 5.526 -1.767 1.00 0.00 H new ATOM 0 HD2 PRO A 68 20.902 4.166 0.593 1.00 0.00 H new ATOM 0 HD3 PRO A 68 20.877 5.918 0.546 1.00 0.00 H new ATOM 1074 N PHE A 69 17.606 2.844 -0.061 1.00 0.00 N ATOM 1075 CA PHE A 69 16.914 1.576 -0.260 1.00 0.00 C ATOM 1076 C PHE A 69 15.515 1.618 0.348 1.00 0.00 C ATOM 1077 O PHE A 69 15.325 2.101 1.465 1.00 0.00 O ATOM 1078 CB PHE A 69 17.718 0.430 0.359 1.00 0.00 C ATOM 1079 CG PHE A 69 18.900 0.012 -0.467 1.00 0.00 C ATOM 1080 CD1 PHE A 69 18.774 -0.973 -1.433 1.00 0.00 C ATOM 1081 CD2 PHE A 69 20.138 0.605 -0.278 1.00 0.00 C ATOM 1082 CE1 PHE A 69 19.861 -1.360 -2.194 1.00 0.00 C ATOM 1083 CE2 PHE A 69 21.229 0.223 -1.037 1.00 0.00 C ATOM 1084 CZ PHE A 69 21.089 -0.760 -1.997 1.00 0.00 C ATOM 0 H PHE A 69 18.462 2.776 0.490 1.00 0.00 H new ATOM 0 HA PHE A 69 16.819 1.407 -1.333 1.00 0.00 H new ATOM 0 HB2 PHE A 69 18.064 0.732 1.347 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.062 -0.429 0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 69 17.815 -1.444 -1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 69 20.252 1.375 0.471 1.00 0.00 H new ATOM 0 HE1 PHE A 69 19.750 -2.131 -2.942 1.00 0.00 H new ATOM 0 HE2 PHE A 69 22.189 0.692 -0.879 1.00 0.00 H new ATOM 0 HZ PHE A 69 21.939 -1.059 -2.593 1.00 0.00 H new ATOM 1094 N THR A 70 14.538 1.108 -0.395 1.00 0.00 N ATOM 1095 CA THR A 70 13.156 1.088 0.069 1.00 0.00 C ATOM 1096 C THR A 70 12.473 -0.225 -0.295 1.00 0.00 C ATOM 1097 O THR A 70 12.550 -0.680 -1.436 1.00 0.00 O ATOM 1098 CB THR A 70 12.348 2.256 -0.525 1.00 0.00 C ATOM 1099 OG1 THR A 70 12.549 2.321 -1.941 1.00 0.00 O ATOM 1100 CG2 THR A 70 12.757 3.576 0.111 1.00 0.00 C ATOM 0 H THR A 70 14.678 0.703 -1.321 1.00 0.00 H new ATOM 0 HA THR A 70 13.185 1.190 1.154 1.00 0.00 H new ATOM 0 HB THR A 70 11.293 2.082 -0.316 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.497 1.419 -2.321 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.173 4.386 -0.325 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.575 3.534 1.185 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.817 3.755 -0.071 1.00 0.00 H new ATOM 1108 N MET A 71 11.804 -0.830 0.681 1.00 0.00 N ATOM 1109 CA MET A 71 11.105 -2.090 0.461 1.00 0.00 C ATOM 1110 C MET A 71 10.051 -2.323 1.539 1.00 0.00 C ATOM 1111 O MET A 71 9.848 -1.481 2.413 1.00 0.00 O ATOM 1112 CB MET A 71 12.099 -3.253 0.444 1.00 0.00 C ATOM 1113 CG MET A 71 13.120 -3.196 1.570 1.00 0.00 C ATOM 1114 SD MET A 71 14.601 -2.273 1.118 1.00 0.00 S ATOM 1115 CE MET A 71 14.579 -0.974 2.352 1.00 0.00 C ATOM 0 H MET A 71 11.731 -0.468 1.632 1.00 0.00 H new ATOM 0 HA MET A 71 10.604 -2.035 -0.506 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.549 -4.192 0.510 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.624 -3.258 -0.511 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.663 -2.736 2.446 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.401 -4.211 1.852 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.384 -0.268 2.151 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.622 -0.453 2.315 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.717 -1.410 3.342 1.00 0.00 H new ATOM 1125 N ALA A 72 9.383 -3.470 1.470 1.00 0.00 N ATOM 1126 CA ALA A 72 8.352 -3.813 2.441 1.00 0.00 C ATOM 1127 C ALA A 72 8.950 -4.018 3.829 1.00 0.00 C ATOM 1128 O ALA A 72 10.075 -4.501 3.965 1.00 0.00 O ATOM 1129 CB ALA A 72 7.603 -5.061 1.997 1.00 0.00 C ATOM 0 H ALA A 72 9.538 -4.177 0.751 1.00 0.00 H new ATOM 0 HA ALA A 72 7.650 -2.981 2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.836 -5.306 2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.134 -4.879 1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.302 -5.893 1.911 1.00 0.00 H new ATOM 1135 N ARG A 73 8.193 -3.647 4.856 1.00 0.00 N ATOM 1136 CA ARG A 73 8.650 -3.789 6.233 1.00 0.00 C ATOM 1137 C ARG A 73 9.092 -5.222 6.514 1.00 0.00 C ATOM 1138 O ARG A 73 10.143 -5.452 7.110 1.00 0.00 O ATOM 1139 CB ARG A 73 7.540 -3.386 7.205 1.00 0.00 C ATOM 1140 CG ARG A 73 7.566 -1.914 7.583 1.00 0.00 C ATOM 1141 CD ARG A 73 6.227 -1.459 8.143 1.00 0.00 C ATOM 1142 NE ARG A 73 6.159 -0.007 8.287 1.00 0.00 N ATOM 1143 CZ ARG A 73 6.663 0.653 9.323 1.00 0.00 C ATOM 1144 NH1 ARG A 73 7.268 -0.005 10.302 1.00 0.00 N ATOM 1145 NH2 ARG A 73 6.561 1.975 9.382 1.00 0.00 N ATOM 0 H ARG A 73 7.260 -3.246 4.761 1.00 0.00 H new ATOM 0 HA ARG A 73 9.506 -3.129 6.376 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.574 -3.620 6.758 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.626 -3.987 8.111 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.348 -1.741 8.322 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.817 -1.317 6.707 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.426 -1.796 7.485 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.062 -1.928 9.113 1.00 0.00 H new ATOM 0 HE ARG A 73 5.699 0.529 7.551 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.347 -1.021 10.261 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.654 0.505 11.097 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.095 2.485 8.631 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.948 2.481 10.178 1.00 0.00 H new ATOM 1159 N ASN A 74 8.281 -6.182 6.081 1.00 0.00 N ATOM 1160 CA ASN A 74 8.587 -7.593 6.288 1.00 0.00 C ATOM 1161 C ASN A 74 9.669 -8.061 5.319 1.00 0.00 C ATOM 1162 O ASN A 74 9.981 -9.250 5.247 1.00 0.00 O ATOM 1163 CB ASN A 74 7.327 -8.441 6.111 1.00 0.00 C ATOM 1164 CG ASN A 74 7.064 -8.791 4.659 1.00 0.00 C ATOM 1165 OD1 ASN A 74 7.532 -8.106 3.750 1.00 0.00 O ATOM 1166 ND2 ASN A 74 6.310 -9.861 4.435 1.00 0.00 N ATOM 0 H ASN A 74 7.407 -6.009 5.585 1.00 0.00 H new ATOM 0 HA ASN A 74 8.957 -7.714 7.306 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.426 -9.359 6.691 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.470 -7.901 6.513 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.098 -10.144 3.478 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.943 -10.400 5.220 1.00 0.00 H new ATOM 1173 N LYS A 75 10.239 -7.119 4.577 1.00 0.00 N ATOM 1174 CA LYS A 75 11.288 -7.433 3.613 1.00 0.00 C ATOM 1175 C LYS A 75 12.576 -6.689 3.950 1.00 0.00 C ATOM 1176 O LYS A 75 13.667 -7.113 3.568 1.00 0.00 O ATOM 1177 CB LYS A 75 10.833 -7.071 2.197 1.00 0.00 C ATOM 1178 CG LYS A 75 11.962 -7.057 1.181 1.00 0.00 C ATOM 1179 CD LYS A 75 12.550 -8.444 0.982 1.00 0.00 C ATOM 1180 CE LYS A 75 13.276 -8.556 -0.350 1.00 0.00 C ATOM 1181 NZ LYS A 75 14.562 -7.804 -0.346 1.00 0.00 N ATOM 0 H LYS A 75 9.992 -6.130 4.624 1.00 0.00 H new ATOM 0 HA LYS A 75 11.484 -8.504 3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.074 -7.784 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.360 -6.089 2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.591 -6.678 0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.743 -6.374 1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.242 -8.667 1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.754 -9.188 1.028 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.470 -9.606 -0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.635 -8.176 -1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.026 -7.905 -1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.375 -6.798 -0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.184 -8.183 0.397 1.00 0.00 H new ATOM 1195 N VAL A 76 12.443 -5.579 4.669 1.00 0.00 N ATOM 1196 CA VAL A 76 13.597 -4.778 5.060 1.00 0.00 C ATOM 1197 C VAL A 76 14.696 -5.651 5.656 1.00 0.00 C ATOM 1198 O VAL A 76 15.867 -5.520 5.303 1.00 0.00 O ATOM 1199 CB VAL A 76 13.208 -3.693 6.081 1.00 0.00 C ATOM 1200 CG1 VAL A 76 14.448 -2.994 6.617 1.00 0.00 C ATOM 1201 CG2 VAL A 76 12.250 -2.691 5.454 1.00 0.00 C ATOM 0 H VAL A 76 11.547 -5.214 4.993 1.00 0.00 H new ATOM 0 HA VAL A 76 13.969 -4.298 4.155 1.00 0.00 H new ATOM 0 HB VAL A 76 12.700 -4.172 6.918 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.153 -2.231 7.337 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.094 -3.723 7.106 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.987 -2.526 5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.985 -1.931 6.189 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.729 -2.216 4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.348 -3.207 5.125 1.00 0.00 H new ATOM 1211 N ALA A 77 14.308 -6.543 6.562 1.00 0.00 N ATOM 1212 CA ALA A 77 15.260 -7.440 7.206 1.00 0.00 C ATOM 1213 C ALA A 77 16.281 -7.968 6.205 1.00 0.00 C ATOM 1214 O ALA A 77 17.468 -7.653 6.291 1.00 0.00 O ATOM 1215 CB ALA A 77 14.528 -8.594 7.875 1.00 0.00 C ATOM 0 H ALA A 77 13.342 -6.664 6.866 1.00 0.00 H new ATOM 0 HA ALA A 77 15.797 -6.874 7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.251 -9.256 8.352 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.843 -8.203 8.627 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.965 -9.151 7.126 1.00 0.00 H new ATOM 1221 N GLU A 78 15.812 -8.772 5.256 1.00 0.00 N ATOM 1222 CA GLU A 78 16.687 -9.344 4.239 1.00 0.00 C ATOM 1223 C GLU A 78 17.699 -8.312 3.749 1.00 0.00 C ATOM 1224 O GLU A 78 18.883 -8.612 3.595 1.00 0.00 O ATOM 1225 CB GLU A 78 15.862 -9.866 3.060 1.00 0.00 C ATOM 1226 CG GLU A 78 15.126 -11.161 3.359 1.00 0.00 C ATOM 1227 CD GLU A 78 16.015 -12.382 3.220 1.00 0.00 C ATOM 1228 OE1 GLU A 78 17.207 -12.291 3.579 1.00 0.00 O ATOM 1229 OE2 GLU A 78 15.518 -13.428 2.753 1.00 0.00 O ATOM 0 H GLU A 78 14.832 -9.042 5.170 1.00 0.00 H new ATOM 0 HA GLU A 78 17.230 -10.175 4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.138 -9.105 2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.522 -10.021 2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.725 -11.121 4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.276 -11.256 2.683 1.00 0.00 H new ATOM 1236 N HIS A 79 17.223 -7.096 3.503 1.00 0.00 N ATOM 1237 CA HIS A 79 18.085 -6.019 3.030 1.00 0.00 C ATOM 1238 C HIS A 79 19.107 -5.633 4.095 1.00 0.00 C ATOM 1239 O HIS A 79 20.306 -5.554 3.821 1.00 0.00 O ATOM 1240 CB HIS A 79 17.248 -4.799 2.644 1.00 0.00 C ATOM 1241 CG HIS A 79 18.018 -3.514 2.663 1.00 0.00 C ATOM 1242 ND1 HIS A 79 18.992 -3.207 1.736 1.00 0.00 N ATOM 1243 CD2 HIS A 79 17.952 -2.454 3.502 1.00 0.00 C ATOM 1244 CE1 HIS A 79 19.493 -2.015 2.005 1.00 0.00 C ATOM 1245 NE2 HIS A 79 18.878 -1.536 3.072 1.00 0.00 N ATOM 0 H HIS A 79 16.245 -6.832 3.623 1.00 0.00 H new ATOM 0 HA HIS A 79 18.620 -6.376 2.150 1.00 0.00 H new ATOM 0 HB2 HIS A 79 16.837 -4.952 1.646 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.403 -4.717 3.328 1.00 0.00 H new ATOM 0 HD1 HIS A 79 19.280 -3.807 0.963 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.293 -2.350 4.352 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.273 -1.517 1.448 1.00 0.00 H new ATOM 1253 N LEU A 80 18.626 -5.393 5.310 1.00 0.00 N ATOM 1254 CA LEU A 80 19.498 -5.015 6.417 1.00 0.00 C ATOM 1255 C LEU A 80 20.783 -5.836 6.404 1.00 0.00 C ATOM 1256 O LEU A 80 21.855 -5.333 6.738 1.00 0.00 O ATOM 1257 CB LEU A 80 18.772 -5.203 7.751 1.00 0.00 C ATOM 1258 CG LEU A 80 17.795 -4.096 8.145 1.00 0.00 C ATOM 1259 CD1 LEU A 80 16.979 -4.511 9.360 1.00 0.00 C ATOM 1260 CD2 LEU A 80 18.541 -2.798 8.420 1.00 0.00 C ATOM 0 H LEU A 80 17.637 -5.453 5.554 1.00 0.00 H new ATOM 0 HA LEU A 80 19.760 -3.964 6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.226 -6.146 7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.520 -5.297 8.539 1.00 0.00 H new ATOM 0 HG LEU A 80 17.111 -3.929 7.313 1.00 0.00 H new ATOM 0 HD11 LEU A 80 16.289 -3.710 9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 80 16.415 -5.414 9.128 1.00 0.00 H new ATOM 0 HD13 LEU A 80 17.648 -4.706 10.198 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.829 -2.021 8.699 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.249 -2.951 9.234 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.080 -2.491 7.524 1.00 0.00 H new ATOM 1272 N GLU A 81 20.666 -7.102 6.014 1.00 0.00 N ATOM 1273 CA GLU A 81 21.820 -7.992 5.956 1.00 0.00 C ATOM 1274 C GLU A 81 22.898 -7.425 5.037 1.00 0.00 C ATOM 1275 O GLU A 81 24.078 -7.404 5.387 1.00 0.00 O ATOM 1276 CB GLU A 81 21.397 -9.380 5.469 1.00 0.00 C ATOM 1277 CG GLU A 81 20.604 -10.170 6.496 1.00 0.00 C ATOM 1278 CD GLU A 81 20.670 -11.666 6.259 1.00 0.00 C ATOM 1279 OE1 GLU A 81 21.615 -12.306 6.765 1.00 0.00 O ATOM 1280 OE2 GLU A 81 19.776 -12.196 5.568 1.00 0.00 O ATOM 0 H GLU A 81 19.785 -7.534 5.734 1.00 0.00 H new ATOM 0 HA GLU A 81 22.232 -8.078 6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 81 20.798 -9.272 4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 81 22.287 -9.947 5.195 1.00 0.00 H new ATOM 0 HG2 GLU A 81 20.984 -9.947 7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.563 -9.848 6.472 1.00 0.00 H new ATOM 1287 N MET A 82 22.485 -6.968 3.859 1.00 0.00 N ATOM 1288 CA MET A 82 23.415 -6.401 2.890 1.00 0.00 C ATOM 1289 C MET A 82 23.322 -4.879 2.875 1.00 0.00 C ATOM 1290 O MET A 82 23.694 -4.234 1.893 1.00 0.00 O ATOM 1291 CB MET A 82 23.130 -6.956 1.493 1.00 0.00 C ATOM 1292 CG MET A 82 21.701 -6.728 1.028 1.00 0.00 C ATOM 1293 SD MET A 82 21.473 -7.093 -0.723 1.00 0.00 S ATOM 1294 CE MET A 82 19.995 -8.103 -0.668 1.00 0.00 C ATOM 0 H MET A 82 21.512 -6.979 3.553 1.00 0.00 H new ATOM 0 HA MET A 82 24.426 -6.682 3.185 1.00 0.00 H new ATOM 0 HB2 MET A 82 23.813 -6.493 0.781 1.00 0.00 H new ATOM 0 HB3 MET A 82 23.339 -8.026 1.486 1.00 0.00 H new ATOM 0 HG2 MET A 82 21.028 -7.352 1.616 1.00 0.00 H new ATOM 0 HG3 MET A 82 21.422 -5.692 1.218 1.00 0.00 H new ATOM 0 HE1 MET A 82 19.725 -8.409 -1.679 1.00 0.00 H new ATOM 0 HE2 MET A 82 20.181 -8.988 -0.059 1.00 0.00 H new ATOM 0 HE3 MET A 82 19.178 -7.528 -0.233 1.00 0.00 H new ATOM 1304 N CYS A 83 22.824 -4.309 3.967 1.00 0.00 N ATOM 1305 CA CYS A 83 22.681 -2.863 4.079 1.00 0.00 C ATOM 1306 C CYS A 83 23.950 -2.233 4.646 1.00 0.00 C ATOM 1307 O CYS A 83 24.519 -2.703 5.632 1.00 0.00 O ATOM 1308 CB CYS A 83 21.485 -2.514 4.966 1.00 0.00 C ATOM 1309 SG CYS A 83 21.371 -0.749 5.401 1.00 0.00 S ATOM 0 H CYS A 83 22.512 -4.828 4.788 1.00 0.00 H new ATOM 0 HA CYS A 83 22.512 -2.462 3.080 1.00 0.00 H new ATOM 0 HB2 CYS A 83 20.569 -2.811 4.456 1.00 0.00 H new ATOM 0 HB3 CYS A 83 21.543 -3.100 5.883 1.00 0.00 H new ATOM 1314 N PRO A 84 24.406 -1.144 4.010 1.00 0.00 N ATOM 1315 CA PRO A 84 25.612 -0.426 4.434 1.00 0.00 C ATOM 1316 C PRO A 84 25.415 0.308 5.755 1.00 0.00 C ATOM 1317 O PRO A 84 26.228 0.187 6.671 1.00 0.00 O ATOM 1318 CB PRO A 84 25.848 0.572 3.297 1.00 0.00 C ATOM 1319 CG PRO A 84 24.504 0.782 2.691 1.00 0.00 C ATOM 1320 CD PRO A 84 23.779 -0.529 2.828 1.00 0.00 C ATOM 0 HA PRO A 84 26.449 -1.102 4.607 1.00 0.00 H new ATOM 0 HB2 PRO A 84 26.264 1.507 3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 84 26.555 0.179 2.566 1.00 0.00 H new ATOM 0 HG2 PRO A 84 23.966 1.581 3.202 1.00 0.00 H new ATOM 0 HG3 PRO A 84 24.589 1.074 1.644 1.00 0.00 H new ATOM 0 HD2 PRO A 84 22.708 -0.383 2.971 1.00 0.00 H new ATOM 0 HD3 PRO A 84 23.900 -1.150 1.940 1.00 0.00 H new ATOM 1328 N ALA A 85 24.330 1.070 5.847 1.00 0.00 N ATOM 1329 CA ALA A 85 24.025 1.822 7.058 1.00 0.00 C ATOM 1330 C ALA A 85 24.041 0.917 8.285 1.00 0.00 C ATOM 1331 O ALA A 85 24.349 1.360 9.392 1.00 0.00 O ATOM 1332 CB ALA A 85 22.675 2.511 6.926 1.00 0.00 C ATOM 0 H ALA A 85 23.648 1.183 5.097 1.00 0.00 H new ATOM 0 HA ALA A 85 24.797 2.581 7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 85 22.460 3.069 7.838 1.00 0.00 H new ATOM 0 HB2 ALA A 85 22.697 3.196 6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 85 21.899 1.763 6.767 1.00 0.00 H new ATOM 1338 N SER A 86 23.705 -0.353 8.082 1.00 0.00 N ATOM 1339 CA SER A 86 23.676 -1.320 9.173 1.00 0.00 C ATOM 1340 C SER A 86 25.067 -1.895 9.427 1.00 0.00 C ATOM 1341 O SER A 86 25.222 -3.092 9.669 1.00 0.00 O ATOM 1342 CB SER A 86 22.696 -2.451 8.856 1.00 0.00 C ATOM 1343 OG SER A 86 22.126 -2.980 10.040 1.00 0.00 O ATOM 0 H SER A 86 23.449 -0.736 7.172 1.00 0.00 H new ATOM 0 HA SER A 86 23.344 -0.803 10.074 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.906 -2.079 8.203 1.00 0.00 H new ATOM 0 HB3 SER A 86 23.213 -3.242 8.313 1.00 0.00 H new ATOM 0 HG SER A 86 21.502 -3.700 9.809 1.00 0.00 H new ATOM 1349 N VAL A 87 26.076 -1.031 9.371 1.00 0.00 N ATOM 1350 CA VAL A 87 27.454 -1.451 9.596 1.00 0.00 C ATOM 1351 C VAL A 87 27.554 -2.397 10.787 1.00 0.00 C ATOM 1352 O VAL A 87 28.483 -3.199 10.880 1.00 0.00 O ATOM 1353 CB VAL A 87 28.377 -0.241 9.837 1.00 0.00 C ATOM 1354 CG1 VAL A 87 28.432 0.644 8.600 1.00 0.00 C ATOM 1355 CG2 VAL A 87 27.910 0.551 11.049 1.00 0.00 C ATOM 0 H VAL A 87 25.965 -0.037 9.172 1.00 0.00 H new ATOM 0 HA VAL A 87 27.777 -1.972 8.695 1.00 0.00 H new ATOM 0 HB VAL A 87 29.384 -0.608 10.037 1.00 0.00 H new ATOM 0 HG11 VAL A 87 29.089 1.493 8.789 1.00 0.00 H new ATOM 0 HG12 VAL A 87 28.816 0.069 7.758 1.00 0.00 H new ATOM 0 HG13 VAL A 87 27.430 1.005 8.366 1.00 0.00 H new ATOM 0 HG21 VAL A 87 28.573 1.402 11.205 1.00 0.00 H new ATOM 0 HG22 VAL A 87 26.894 0.908 10.881 1.00 0.00 H new ATOM 0 HG23 VAL A 87 27.928 -0.089 11.931 1.00 0.00 H new ATOM 1365 N SER A 88 26.589 -2.298 11.696 1.00 0.00 N ATOM 1366 CA SER A 88 26.569 -3.143 12.884 1.00 0.00 C ATOM 1367 C SER A 88 25.303 -3.993 12.925 1.00 0.00 C ATOM 1368 O SER A 88 24.641 -4.091 13.957 1.00 0.00 O ATOM 1369 CB SER A 88 26.662 -2.285 14.148 1.00 0.00 C ATOM 1370 OG SER A 88 25.505 -1.484 14.306 1.00 0.00 O ATOM 0 H SER A 88 25.811 -1.641 11.632 1.00 0.00 H new ATOM 0 HA SER A 88 27.431 -3.808 12.841 1.00 0.00 H new ATOM 0 HB2 SER A 88 26.785 -2.928 15.020 1.00 0.00 H new ATOM 0 HB3 SER A 88 27.545 -1.648 14.095 1.00 0.00 H new ATOM 0 HG SER A 88 25.588 -0.947 15.121 1.00 0.00 H new ATOM 1376 N GLY A 89 24.973 -4.607 11.793 1.00 0.00 N ATOM 1377 CA GLY A 89 23.787 -5.441 11.719 1.00 0.00 C ATOM 1378 C GLY A 89 24.020 -6.830 12.279 1.00 0.00 C ATOM 1379 O GLY A 89 24.682 -7.007 13.302 1.00 0.00 O ATOM 0 H GLY A 89 25.506 -4.542 10.926 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.975 -4.963 12.267 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.466 -5.520 10.680 1.00 0.00 H new ATOM 1383 N PRO A 90 23.466 -7.846 11.601 1.00 0.00 N ATOM 1384 CA PRO A 90 23.602 -9.244 12.019 1.00 0.00 C ATOM 1385 C PRO A 90 25.022 -9.768 11.836 1.00 0.00 C ATOM 1386 O PRO A 90 25.298 -10.941 12.088 1.00 0.00 O ATOM 1387 CB PRO A 90 22.634 -9.987 11.094 1.00 0.00 C ATOM 1388 CG PRO A 90 22.528 -9.123 9.885 1.00 0.00 C ATOM 1389 CD PRO A 90 22.664 -7.708 10.374 1.00 0.00 C ATOM 0 HA PRO A 90 23.385 -9.375 13.079 1.00 0.00 H new ATOM 0 HB2 PRO A 90 23.010 -10.978 10.841 1.00 0.00 H new ATOM 0 HB3 PRO A 90 21.662 -10.127 11.567 1.00 0.00 H new ATOM 0 HG2 PRO A 90 23.309 -9.363 9.164 1.00 0.00 H new ATOM 0 HG3 PRO A 90 21.573 -9.272 9.382 1.00 0.00 H new ATOM 0 HD2 PRO A 90 23.160 -7.075 9.639 1.00 0.00 H new ATOM 0 HD3 PRO A 90 21.692 -7.258 10.578 1.00 0.00 H new ATOM 1397 N SER A 91 25.919 -8.892 11.397 1.00 0.00 N ATOM 1398 CA SER A 91 27.311 -9.268 11.177 1.00 0.00 C ATOM 1399 C SER A 91 27.750 -10.335 12.176 1.00 0.00 C ATOM 1400 O SER A 91 27.646 -10.146 13.388 1.00 0.00 O ATOM 1401 CB SER A 91 28.217 -8.041 11.294 1.00 0.00 C ATOM 1402 OG SER A 91 29.571 -8.381 11.047 1.00 0.00 O ATOM 0 H SER A 91 25.707 -7.917 11.186 1.00 0.00 H new ATOM 0 HA SER A 91 27.396 -9.679 10.171 1.00 0.00 H new ATOM 0 HB2 SER A 91 27.895 -7.278 10.585 1.00 0.00 H new ATOM 0 HB3 SER A 91 28.123 -7.609 12.291 1.00 0.00 H new ATOM 0 HG SER A 91 30.129 -7.579 11.126 1.00 0.00 H new ATOM 1408 N SER A 92 28.240 -11.456 11.657 1.00 0.00 N ATOM 1409 CA SER A 92 28.692 -12.555 12.501 1.00 0.00 C ATOM 1410 C SER A 92 30.025 -12.220 13.163 1.00 0.00 C ATOM 1411 O SER A 92 30.151 -12.261 14.386 1.00 0.00 O ATOM 1412 CB SER A 92 28.827 -13.837 11.677 1.00 0.00 C ATOM 1413 OG SER A 92 27.610 -14.154 11.023 1.00 0.00 O ATOM 0 H SER A 92 28.334 -11.627 10.656 1.00 0.00 H new ATOM 0 HA SER A 92 27.947 -12.710 13.282 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.620 -13.716 10.938 1.00 0.00 H new ATOM 0 HB3 SER A 92 29.120 -14.662 12.327 1.00 0.00 H new ATOM 0 HG SER A 92 27.723 -14.976 10.502 1.00 0.00 H new ATOM 1419 N GLY A 93 31.018 -11.888 12.344 1.00 0.00 N ATOM 1420 CA GLY A 93 32.329 -11.550 12.867 1.00 0.00 C ATOM 1421 C GLY A 93 32.365 -10.171 13.496 1.00 0.00 C ATOM 1422 O GLY A 93 32.680 -10.028 14.677 1.00 0.00 O ATOM 0 H GLY A 93 30.938 -11.847 11.328 1.00 0.00 H new ATOM 0 HA2 GLY A 93 32.623 -12.292 13.609 1.00 0.00 H new ATOM 0 HA3 GLY A 93 33.061 -11.598 12.061 1.00 0.00 H new TER 1426 GLY A 93 HETATM 1427 ZN ZN A 401 -15.371 3.343 3.961 1.00 0.00 ZN HETATM 1428 ZN ZN A 501 -17.362 -3.017 7.010 1.00 0.00 ZN HETATM 1429 ZN ZN A 601 -2.156 -4.868 3.344 1.00 0.00 ZN HETATM 1430 ZN ZN A 701 19.530 0.000 4.270 1.00 0.00 ZN