USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 668 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 GLN : amide:sc= -0.936 K(o=-2.9,f=-12!) USER MOD Set 1.2: A 61 GLN : amide:sc= -1.7 K(o=-2.9,f=-8!) USER MOD Set 1.3: A 69 MET CE :methyl -169:sc= -0.238 (180deg=-0.134) USER MOD Set 2.1: A 50 LYS NZ :NH3+ 165:sc= 1.29 (180deg=0) USER MOD Set 2.2: A 73 TYR OH : rot -15:sc= 2.26 USER MOD Set 3.1: A 1 ALA N :NH3+ 166:sc= 1.61 (180deg=-0.761) USER MOD Set 3.2: A 3 TYR OH : rot 157:sc= 1.59 USER MOD Single : A 2 THR OG1 : rot -93:sc= 1.29 USER MOD Single : A 4 ASN : amide:sc= 0.585 K(o=0.59,f=-0.18) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 1.17 (180deg=1.17) USER MOD Single : A 9 THR OG1 : rot 170:sc= 0.0266 USER MOD Single : A 17 LYS NZ :NH3+ -132:sc= 1.24 (180deg=-0.166) USER MOD Single : A 18 CYS SG : rot -54:sc= -2.28 USER MOD Single : A 23 TYR OH : rot -7:sc= 1.28 USER MOD Single : A 27 GLN : amide:sc= 0.95 K(o=0.95,f=-0.07) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 54:sc= 0.5 USER MOD Single : A 46 SER OG : rot 180:sc= -0.0384 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0419 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.981 K(o=0.98,f=-6.7!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 78 HIS : no HE2:sc= -2.41 X(o=-2.4,f=-2.9) USER MOD Single : A 80 TYR OH : rot 114:sc= 1.29 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0584 USER MOD Single : A 83 SER OG : rot 0:sc= 0.462 USER MOD Single : A 89 THR OG1 : rot 80:sc= -0.124 USER MOD Single : A 90 HIS : no HD1:sc= -1.02 K(o=-1,f=-2.9) USER MOD Single : A 91 LYS NZ :NH3+ -110:sc= 1.97 (180deg=0.593) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 16.745 -4.954 1.218 1.00 0.00 N ATOM 2 CA ALA A 1 16.579 -4.511 -0.168 1.00 0.00 C ATOM 3 C ALA A 1 15.511 -5.328 -0.879 1.00 0.00 C ATOM 4 O ALA A 1 15.432 -6.535 -0.666 1.00 0.00 O ATOM 5 CB ALA A 1 17.913 -4.486 -0.897 1.00 0.00 C ATOM 0 H1 ALA A 1 17.624 -4.556 1.607 1.00 0.00 H new ATOM 0 H2 ALA A 1 15.937 -4.629 1.786 1.00 0.00 H new ATOM 0 H3 ALA A 1 16.793 -5.992 1.247 1.00 0.00 H new ATOM 0 HA ALA A 1 16.218 -3.482 -0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 1 17.760 -4.154 -1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.592 -3.800 -0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 1 18.345 -5.487 -0.900 1.00 0.00 H new ATOM 12 N THR A 2 14.716 -4.652 -1.707 1.00 0.00 N ATOM 13 CA THR A 2 14.065 -5.210 -2.880 1.00 0.00 C ATOM 14 C THR A 2 13.203 -6.442 -2.583 1.00 0.00 C ATOM 15 O THR A 2 13.495 -7.559 -3.026 1.00 0.00 O ATOM 16 CB THR A 2 15.150 -5.407 -3.953 1.00 0.00 C ATOM 17 OG1 THR A 2 16.070 -4.337 -3.864 1.00 0.00 O ATOM 18 CG2 THR A 2 14.591 -5.463 -5.376 1.00 0.00 C ATOM 0 H THR A 2 14.503 -3.664 -1.570 1.00 0.00 H new ATOM 0 HA THR A 2 13.317 -4.517 -3.264 1.00 0.00 H new ATOM 0 HB THR A 2 15.626 -6.368 -3.760 1.00 0.00 H new ATOM 0 HG1 THR A 2 15.800 -3.622 -4.477 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.409 -5.603 -6.083 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.892 -6.295 -5.460 1.00 0.00 H new ATOM 0 HG23 THR A 2 14.073 -4.530 -5.601 1.00 0.00 H new ATOM 26 N TYR A 3 12.103 -6.218 -1.860 1.00 0.00 N ATOM 27 CA TYR A 3 11.277 -7.253 -1.260 1.00 0.00 C ATOM 28 C TYR A 3 10.062 -7.558 -2.116 1.00 0.00 C ATOM 29 O TYR A 3 9.645 -6.745 -2.938 1.00 0.00 O ATOM 30 CB TYR A 3 10.794 -6.822 0.122 1.00 0.00 C ATOM 31 CG TYR A 3 11.896 -6.424 1.073 1.00 0.00 C ATOM 32 CD1 TYR A 3 12.929 -7.320 1.405 1.00 0.00 C ATOM 33 CD2 TYR A 3 11.897 -5.127 1.607 1.00 0.00 C ATOM 34 CE1 TYR A 3 13.997 -6.888 2.213 1.00 0.00 C ATOM 35 CE2 TYR A 3 12.913 -4.739 2.484 1.00 0.00 C ATOM 36 CZ TYR A 3 13.980 -5.597 2.764 1.00 0.00 C ATOM 37 OH TYR A 3 15.124 -5.069 3.284 1.00 0.00 O ATOM 0 H TYR A 3 11.756 -5.277 -1.674 1.00 0.00 H new ATOM 0 HA TYR A 3 11.896 -8.147 -1.180 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.109 -5.982 0.008 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.226 -7.639 0.566 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.902 -8.336 1.041 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.115 -4.431 1.341 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.829 -7.549 2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.873 -3.766 2.950 1.00 0.00 H new ATOM 0 HH TYR A 3 15.062 -4.091 3.284 1.00 0.00 H new ATOM 47 N ASN A 4 9.516 -8.753 -1.904 1.00 0.00 N ATOM 48 CA ASN A 4 8.387 -9.310 -2.623 1.00 0.00 C ATOM 49 C ASN A 4 7.093 -8.814 -1.984 1.00 0.00 C ATOM 50 O ASN A 4 6.579 -9.450 -1.064 1.00 0.00 O ATOM 51 CB ASN A 4 8.516 -10.831 -2.523 1.00 0.00 C ATOM 52 CG ASN A 4 7.489 -11.572 -3.356 1.00 0.00 C ATOM 53 OD1 ASN A 4 7.806 -12.118 -4.408 1.00 0.00 O ATOM 54 ND2 ASN A 4 6.274 -11.610 -2.847 1.00 0.00 N ATOM 0 H ASN A 4 9.872 -9.387 -1.188 1.00 0.00 H new ATOM 0 HA ASN A 4 8.371 -9.006 -3.670 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.515 -11.126 -2.842 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.413 -11.130 -1.480 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.533 -12.115 -3.333 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.075 -11.135 -1.967 1.00 0.00 H new ATOM 61 N VAL A 5 6.572 -7.683 -2.455 1.00 0.00 N ATOM 62 CA VAL A 5 5.329 -7.138 -1.932 1.00 0.00 C ATOM 63 C VAL A 5 4.165 -7.763 -2.689 1.00 0.00 C ATOM 64 O VAL A 5 4.073 -7.593 -3.907 1.00 0.00 O ATOM 65 CB VAL A 5 5.290 -5.608 -2.054 1.00 0.00 C ATOM 66 CG1 VAL A 5 4.017 -5.065 -1.374 1.00 0.00 C ATOM 67 CG2 VAL A 5 6.543 -4.967 -1.452 1.00 0.00 C ATOM 0 H VAL A 5 6.995 -7.128 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 5 5.256 -7.378 -0.871 1.00 0.00 H new ATOM 0 HB VAL A 5 5.269 -5.347 -3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.992 -3.979 -1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.137 -5.488 -1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.021 -5.343 -0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.483 -3.884 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.613 -5.228 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.426 -5.333 -1.976 1.00 0.00 H new ATOM 77 N LYS A 6 3.259 -8.450 -1.986 1.00 0.00 N ATOM 78 CA LYS A 6 2.001 -8.850 -2.576 1.00 0.00 C ATOM 79 C LYS A 6 0.938 -7.777 -2.394 1.00 0.00 C ATOM 80 O LYS A 6 0.690 -7.322 -1.276 1.00 0.00 O ATOM 81 CB LYS A 6 1.528 -10.173 -1.995 1.00 0.00 C ATOM 82 CG LYS A 6 0.310 -10.658 -2.795 1.00 0.00 C ATOM 83 CD LYS A 6 -0.273 -11.932 -2.199 1.00 0.00 C ATOM 84 CE LYS A 6 0.782 -13.035 -2.254 1.00 0.00 C ATOM 85 NZ LYS A 6 0.174 -14.360 -2.475 1.00 0.00 N ATOM 0 H LYS A 6 3.382 -8.734 -1.014 1.00 0.00 H new ATOM 0 HA LYS A 6 2.165 -8.981 -3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.328 -10.912 -2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.265 -10.051 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.452 -9.879 -2.809 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.601 -10.838 -3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.582 -11.758 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.162 -12.234 -2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.490 -12.822 -3.054 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.347 -13.045 -1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.920 -15.084 -2.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.483 -14.574 -1.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.345 -14.358 -3.376 1.00 0.00 H new ATOM 99 N LEU A 7 0.272 -7.459 -3.507 1.00 0.00 N ATOM 100 CA LEU A 7 -0.951 -6.687 -3.561 1.00 0.00 C ATOM 101 C LEU A 7 -2.073 -7.635 -3.946 1.00 0.00 C ATOM 102 O LEU A 7 -2.149 -8.025 -5.107 1.00 0.00 O ATOM 103 CB LEU A 7 -0.802 -5.518 -4.547 1.00 0.00 C ATOM 104 CG LEU A 7 0.501 -4.723 -4.382 1.00 0.00 C ATOM 105 CD1 LEU A 7 0.618 -3.637 -5.448 1.00 0.00 C ATOM 106 CD2 LEU A 7 0.631 -4.069 -3.011 1.00 0.00 C ATOM 0 H LEU A 7 0.593 -7.750 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.180 -6.240 -2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.852 -5.906 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.647 -4.841 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 7 1.304 -5.451 -4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.550 -3.089 -5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.612 -4.096 -6.437 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.224 -2.950 -5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.572 -3.522 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.199 -3.379 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.613 -4.837 -2.238 1.00 0.00 H new ATOM 118 N ILE A 8 -2.910 -8.035 -2.983 1.00 0.00 N ATOM 119 CA ILE A 8 -4.108 -8.814 -3.236 1.00 0.00 C ATOM 120 C ILE A 8 -5.117 -7.852 -3.851 1.00 0.00 C ATOM 121 O ILE A 8 -5.900 -7.202 -3.161 1.00 0.00 O ATOM 122 CB ILE A 8 -4.572 -9.516 -1.946 1.00 0.00 C ATOM 123 CG1 ILE A 8 -3.539 -10.558 -1.493 1.00 0.00 C ATOM 124 CG2 ILE A 8 -5.944 -10.186 -2.110 1.00 0.00 C ATOM 125 CD1 ILE A 8 -3.546 -10.747 0.024 1.00 0.00 C ATOM 0 H ILE A 8 -2.765 -7.820 -1.997 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.949 -9.634 -3.936 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.667 -8.742 -1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.748 -11.511 -1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.545 -10.248 -1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.228 -10.667 -1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.688 -9.433 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.891 -10.934 -2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.801 -11.492 0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.310 -9.800 0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.532 -11.083 0.344 1.00 0.00 H new ATOM 137 N THR A 9 -5.033 -7.710 -5.171 1.00 0.00 N ATOM 138 CA THR A 9 -5.982 -6.955 -5.954 1.00 0.00 C ATOM 139 C THR A 9 -7.232 -7.815 -6.174 1.00 0.00 C ATOM 140 O THR A 9 -7.100 -9.040 -6.227 1.00 0.00 O ATOM 141 CB THR A 9 -5.346 -6.626 -7.301 1.00 0.00 C ATOM 142 OG1 THR A 9 -4.891 -7.822 -7.905 1.00 0.00 O ATOM 143 CG2 THR A 9 -4.098 -5.754 -7.175 1.00 0.00 C ATOM 0 H THR A 9 -4.287 -8.127 -5.728 1.00 0.00 H new ATOM 0 HA THR A 9 -6.257 -6.034 -5.440 1.00 0.00 H new ATOM 0 HB THR A 9 -6.113 -6.105 -7.874 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.630 -7.641 -8.832 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.692 -5.555 -8.167 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.360 -4.812 -6.694 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.351 -6.273 -6.574 1.00 0.00 H new ATOM 151 N PRO A 10 -8.411 -7.209 -6.392 1.00 0.00 N ATOM 152 CA PRO A 10 -9.653 -7.919 -6.654 1.00 0.00 C ATOM 153 C PRO A 10 -9.550 -8.833 -7.881 1.00 0.00 C ATOM 154 O PRO A 10 -10.167 -9.892 -7.926 1.00 0.00 O ATOM 155 CB PRO A 10 -10.731 -6.860 -6.846 1.00 0.00 C ATOM 156 CG PRO A 10 -10.122 -5.561 -6.363 1.00 0.00 C ATOM 157 CD PRO A 10 -8.628 -5.779 -6.433 1.00 0.00 C ATOM 0 HA PRO A 10 -9.892 -8.577 -5.818 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.027 -6.788 -7.893 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.628 -7.107 -6.278 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.428 -4.724 -6.991 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.440 -5.330 -5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.218 -5.352 -7.348 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.126 -5.288 -5.599 1.00 0.00 H new ATOM 165 N ASP A 11 -8.743 -8.408 -8.861 1.00 0.00 N ATOM 166 CA ASP A 11 -8.370 -9.151 -10.059 1.00 0.00 C ATOM 167 C ASP A 11 -7.836 -10.533 -9.698 1.00 0.00 C ATOM 168 O ASP A 11 -8.004 -11.492 -10.447 1.00 0.00 O ATOM 169 CB ASP A 11 -7.288 -8.359 -10.806 1.00 0.00 C ATOM 170 CG ASP A 11 -7.909 -7.359 -11.768 1.00 0.00 C ATOM 171 OD1 ASP A 11 -8.326 -6.295 -11.264 1.00 0.00 O ATOM 172 OD2 ASP A 11 -7.973 -7.686 -12.972 1.00 0.00 O ATOM 0 H ASP A 11 -8.312 -7.484 -8.832 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.250 -9.282 -10.688 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.656 -7.835 -10.089 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.644 -9.046 -11.356 1.00 0.00 H new ATOM 177 N GLY A 12 -7.185 -10.611 -8.539 1.00 0.00 N ATOM 178 CA GLY A 12 -6.709 -11.828 -7.933 1.00 0.00 C ATOM 179 C GLY A 12 -5.191 -11.797 -7.830 1.00 0.00 C ATOM 180 O GLY A 12 -4.521 -12.637 -8.425 1.00 0.00 O ATOM 0 H GLY A 12 -6.971 -9.784 -7.981 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.147 -11.946 -6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.024 -12.687 -8.525 1.00 0.00 H new ATOM 184 N GLU A 13 -4.681 -10.828 -7.056 1.00 0.00 N ATOM 185 CA GLU A 13 -3.274 -10.625 -6.725 1.00 0.00 C ATOM 186 C GLU A 13 -2.433 -10.204 -7.933 1.00 0.00 C ATOM 187 O GLU A 13 -2.817 -10.395 -9.085 1.00 0.00 O ATOM 188 CB GLU A 13 -2.690 -11.882 -6.080 1.00 0.00 C ATOM 189 CG GLU A 13 -3.353 -12.258 -4.753 1.00 0.00 C ATOM 190 CD GLU A 13 -3.035 -13.688 -4.318 1.00 0.00 C ATOM 191 OE1 GLU A 13 -1.833 -13.982 -4.125 1.00 0.00 O ATOM 192 OE2 GLU A 13 -4.000 -14.457 -4.131 1.00 0.00 O ATOM 0 H GLU A 13 -5.280 -10.126 -6.621 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.235 -9.801 -6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.790 -12.716 -6.775 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.623 -11.732 -5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.024 -11.565 -3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.433 -12.143 -4.846 1.00 0.00 H new ATOM 199 N VAL A 14 -1.252 -9.641 -7.649 1.00 0.00 N ATOM 200 CA VAL A 14 -0.235 -9.358 -8.666 1.00 0.00 C ATOM 201 C VAL A 14 1.146 -9.846 -8.215 1.00 0.00 C ATOM 202 O VAL A 14 1.714 -10.735 -8.842 1.00 0.00 O ATOM 203 CB VAL A 14 -0.266 -7.875 -9.082 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.565 -7.554 -9.831 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.142 -6.929 -7.885 1.00 0.00 C ATOM 0 H VAL A 14 -0.976 -9.369 -6.706 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.470 -9.924 -9.567 1.00 0.00 H new ATOM 0 HB VAL A 14 0.595 -7.719 -9.732 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.570 -6.502 -10.117 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.632 -8.174 -10.725 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.418 -7.758 -9.184 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.169 -5.896 -8.233 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.970 -7.102 -7.197 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.801 -7.114 -7.371 1.00 0.00 H new ATOM 215 N GLU A 15 1.649 -9.289 -7.108 1.00 0.00 N ATOM 216 CA GLU A 15 2.943 -9.595 -6.501 1.00 0.00 C ATOM 217 C GLU A 15 4.107 -9.009 -7.306 1.00 0.00 C ATOM 218 O GLU A 15 4.171 -9.175 -8.521 1.00 0.00 O ATOM 219 CB GLU A 15 3.092 -11.106 -6.241 1.00 0.00 C ATOM 220 CG GLU A 15 3.697 -11.428 -4.876 1.00 0.00 C ATOM 221 CD GLU A 15 3.579 -12.903 -4.502 1.00 0.00 C ATOM 222 OE1 GLU A 15 2.665 -13.580 -5.019 1.00 0.00 O ATOM 223 OE2 GLU A 15 4.355 -13.311 -3.616 1.00 0.00 O ATOM 0 H GLU A 15 1.137 -8.577 -6.587 1.00 0.00 H new ATOM 0 HA GLU A 15 2.979 -9.105 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.113 -11.579 -6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.718 -11.542 -7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.749 -11.142 -4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.202 -10.825 -4.114 1.00 0.00 H new ATOM 230 N PHE A 16 5.014 -8.280 -6.642 1.00 0.00 N ATOM 231 CA PHE A 16 6.094 -7.579 -7.329 1.00 0.00 C ATOM 232 C PHE A 16 7.217 -7.151 -6.387 1.00 0.00 C ATOM 233 O PHE A 16 7.096 -7.297 -5.168 1.00 0.00 O ATOM 234 CB PHE A 16 5.556 -6.406 -8.140 1.00 0.00 C ATOM 235 CG PHE A 16 5.203 -5.204 -7.308 1.00 0.00 C ATOM 236 CD1 PHE A 16 4.191 -5.296 -6.338 1.00 0.00 C ATOM 237 CD2 PHE A 16 6.069 -4.099 -7.312 1.00 0.00 C ATOM 238 CE1 PHE A 16 4.091 -4.321 -5.342 1.00 0.00 C ATOM 239 CE2 PHE A 16 5.922 -3.100 -6.351 1.00 0.00 C ATOM 240 CZ PHE A 16 4.933 -3.202 -5.371 1.00 0.00 C ATOM 0 H PHE A 16 5.017 -8.164 -5.629 1.00 0.00 H new ATOM 0 HA PHE A 16 6.541 -8.291 -8.023 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.301 -6.117 -8.881 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.671 -6.730 -8.687 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.492 -6.119 -6.362 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.847 -4.023 -8.057 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.365 -4.430 -4.550 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.577 -2.242 -6.365 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.817 -2.419 -4.636 1.00 0.00 H new ATOM 250 N LYS A 17 8.326 -6.662 -6.958 1.00 0.00 N ATOM 251 CA LYS A 17 9.497 -6.254 -6.207 1.00 0.00 C ATOM 252 C LYS A 17 9.474 -4.761 -5.903 1.00 0.00 C ATOM 253 O LYS A 17 9.343 -3.932 -6.802 1.00 0.00 O ATOM 254 CB LYS A 17 10.779 -6.657 -6.948 1.00 0.00 C ATOM 255 CG LYS A 17 11.704 -7.484 -6.046 1.00 0.00 C ATOM 256 CD LYS A 17 11.005 -8.766 -5.579 1.00 0.00 C ATOM 257 CE LYS A 17 11.981 -9.944 -5.455 1.00 0.00 C ATOM 258 NZ LYS A 17 12.932 -9.768 -4.334 1.00 0.00 N ATOM 0 H LYS A 17 8.426 -6.542 -7.966 1.00 0.00 H new ATOM 0 HA LYS A 17 9.482 -6.775 -5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.523 -7.234 -7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.302 -5.763 -7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.615 -7.738 -6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.002 -6.891 -5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.528 -8.588 -4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.214 -9.024 -6.283 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.418 -10.866 -5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.536 -10.053 -6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.898 -9.964 -4.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.878 -8.790 -3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.689 -10.425 -3.566 1.00 0.00 H new ATOM 272 N CYS A 18 9.649 -4.417 -4.627 1.00 0.00 N ATOM 273 CA CYS A 18 9.748 -3.030 -4.206 1.00 0.00 C ATOM 274 C CYS A 18 10.948 -2.820 -3.288 1.00 0.00 C ATOM 275 O CYS A 18 11.156 -3.601 -2.354 1.00 0.00 O ATOM 276 CB CYS A 18 8.449 -2.601 -3.565 1.00 0.00 C ATOM 277 SG CYS A 18 8.591 -0.813 -3.336 1.00 0.00 S ATOM 0 H CYS A 18 9.725 -5.091 -3.865 1.00 0.00 H new ATOM 0 HA CYS A 18 9.915 -2.398 -5.078 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.598 -2.849 -4.199 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.295 -3.108 -2.612 1.00 0.00 H new ATOM 0 HG CYS A 18 9.672 -0.546 -2.665 1.00 0.00 H new ATOM 283 N ASP A 19 11.764 -1.806 -3.591 1.00 0.00 N ATOM 284 CA ASP A 19 12.953 -1.463 -2.830 1.00 0.00 C ATOM 285 C ASP A 19 12.562 -0.794 -1.524 1.00 0.00 C ATOM 286 O ASP A 19 11.551 -0.101 -1.437 1.00 0.00 O ATOM 287 CB ASP A 19 13.885 -0.565 -3.648 1.00 0.00 C ATOM 288 CG ASP A 19 14.224 -1.206 -4.978 1.00 0.00 C ATOM 289 OD1 ASP A 19 14.890 -2.262 -4.928 1.00 0.00 O ATOM 290 OD2 ASP A 19 13.764 -0.667 -6.005 1.00 0.00 O ATOM 0 H ASP A 19 11.607 -1.192 -4.390 1.00 0.00 H new ATOM 0 HA ASP A 19 13.495 -2.380 -2.600 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.410 0.401 -3.816 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.800 -0.377 -3.087 1.00 0.00 H new ATOM 295 N ASP A 20 13.399 -0.957 -0.507 1.00 0.00 N ATOM 296 CA ASP A 20 13.129 -0.398 0.811 1.00 0.00 C ATOM 297 C ASP A 20 13.270 1.129 0.844 1.00 0.00 C ATOM 298 O ASP A 20 12.873 1.754 1.826 1.00 0.00 O ATOM 299 CB ASP A 20 13.926 -1.125 1.917 1.00 0.00 C ATOM 300 CG ASP A 20 15.203 -1.828 1.510 1.00 0.00 C ATOM 301 OD1 ASP A 20 15.809 -1.398 0.508 1.00 0.00 O ATOM 302 OD2 ASP A 20 15.512 -2.875 2.137 1.00 0.00 O ATOM 0 H ASP A 20 14.275 -1.475 -0.571 1.00 0.00 H new ATOM 0 HA ASP A 20 12.078 -0.585 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.175 -0.395 2.688 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.268 -1.862 2.377 1.00 0.00 H new ATOM 307 N ASP A 21 13.755 1.725 -0.249 1.00 0.00 N ATOM 308 CA ASP A 21 13.900 3.161 -0.442 1.00 0.00 C ATOM 309 C ASP A 21 12.986 3.652 -1.577 1.00 0.00 C ATOM 310 O ASP A 21 13.235 4.720 -2.136 1.00 0.00 O ATOM 311 CB ASP A 21 15.373 3.494 -0.746 1.00 0.00 C ATOM 312 CG ASP A 21 16.287 3.400 0.469 1.00 0.00 C ATOM 313 OD1 ASP A 21 15.980 4.085 1.468 1.00 0.00 O ATOM 314 OD2 ASP A 21 17.308 2.689 0.358 1.00 0.00 O ATOM 0 H ASP A 21 14.070 1.190 -1.058 1.00 0.00 H new ATOM 0 HA ASP A 21 13.601 3.674 0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.738 2.815 -1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.431 4.502 -1.156 1.00 0.00 H new ATOM 319 N VAL A 22 11.925 2.913 -1.938 1.00 0.00 N ATOM 320 CA VAL A 22 10.976 3.368 -2.953 1.00 0.00 C ATOM 321 C VAL A 22 9.542 3.030 -2.539 1.00 0.00 C ATOM 322 O VAL A 22 9.318 2.157 -1.701 1.00 0.00 O ATOM 323 CB VAL A 22 11.375 2.807 -4.330 1.00 0.00 C ATOM 324 CG1 VAL A 22 10.915 1.368 -4.536 1.00 0.00 C ATOM 325 CG2 VAL A 22 10.819 3.653 -5.477 1.00 0.00 C ATOM 0 H VAL A 22 11.707 2.000 -1.540 1.00 0.00 H new ATOM 0 HA VAL A 22 11.011 4.454 -3.038 1.00 0.00 H new ATOM 0 HB VAL A 22 12.464 2.838 -4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.224 1.025 -5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.363 0.730 -3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.829 1.319 -4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.125 3.221 -6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.731 3.673 -5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.205 4.670 -5.399 1.00 0.00 H new ATOM 335 N TYR A 23 8.566 3.747 -3.101 1.00 0.00 N ATOM 336 CA TYR A 23 7.167 3.562 -2.763 1.00 0.00 C ATOM 337 C TYR A 23 6.595 2.322 -3.455 1.00 0.00 C ATOM 338 O TYR A 23 6.914 2.059 -4.616 1.00 0.00 O ATOM 339 CB TYR A 23 6.348 4.784 -3.178 1.00 0.00 C ATOM 340 CG TYR A 23 6.756 6.121 -2.593 1.00 0.00 C ATOM 341 CD1 TYR A 23 6.790 6.307 -1.198 1.00 0.00 C ATOM 342 CD2 TYR A 23 6.886 7.232 -3.447 1.00 0.00 C ATOM 343 CE1 TYR A 23 6.865 7.606 -0.664 1.00 0.00 C ATOM 344 CE2 TYR A 23 7.003 8.524 -2.911 1.00 0.00 C ATOM 345 CZ TYR A 23 6.951 8.717 -1.521 1.00 0.00 C ATOM 346 OH TYR A 23 6.933 9.990 -1.034 1.00 0.00 O ATOM 0 H TYR A 23 8.731 4.470 -3.802 1.00 0.00 H new ATOM 0 HA TYR A 23 7.105 3.430 -1.683 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.387 4.864 -4.264 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.308 4.601 -2.909 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.759 5.453 -0.538 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.896 7.090 -4.518 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.857 7.750 0.406 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.133 9.371 -3.569 1.00 0.00 H new ATOM 0 HH TYR A 23 6.748 9.970 -0.072 1.00 0.00 H new ATOM 356 N VAL A 24 5.704 1.603 -2.762 1.00 0.00 N ATOM 357 CA VAL A 24 5.005 0.440 -3.309 1.00 0.00 C ATOM 358 C VAL A 24 4.395 0.745 -4.684 1.00 0.00 C ATOM 359 O VAL A 24 4.765 0.115 -5.673 1.00 0.00 O ATOM 360 CB VAL A 24 3.953 -0.090 -2.314 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.469 -1.481 -2.702 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.509 -0.242 -0.899 1.00 0.00 C ATOM 0 H VAL A 24 5.448 1.816 -1.798 1.00 0.00 H new ATOM 0 HA VAL A 24 5.739 -0.352 -3.459 1.00 0.00 H new ATOM 0 HB VAL A 24 3.151 0.647 -2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.729 -1.823 -1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.019 -1.446 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.313 -2.171 -2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.727 -0.618 -0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.343 -0.943 -0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.854 0.727 -0.538 1.00 0.00 H new ATOM 372 N LEU A 25 3.462 1.703 -4.741 1.00 0.00 N ATOM 373 CA LEU A 25 2.766 2.082 -5.972 1.00 0.00 C ATOM 374 C LEU A 25 3.745 2.334 -7.111 1.00 0.00 C ATOM 375 O LEU A 25 3.558 1.801 -8.197 1.00 0.00 O ATOM 376 CB LEU A 25 1.901 3.323 -5.719 1.00 0.00 C ATOM 377 CG LEU A 25 1.489 4.130 -6.965 1.00 0.00 C ATOM 378 CD1 LEU A 25 0.317 3.464 -7.689 1.00 0.00 C ATOM 379 CD2 LEU A 25 1.102 5.545 -6.542 1.00 0.00 C ATOM 0 H LEU A 25 3.168 2.240 -3.925 1.00 0.00 H new ATOM 0 HA LEU A 25 2.124 1.253 -6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.996 3.010 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.442 3.986 -5.045 1.00 0.00 H new ATOM 0 HG LEU A 25 2.334 4.166 -7.653 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.047 4.055 -8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.606 2.461 -8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.538 3.401 -7.016 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.810 6.120 -7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.267 5.500 -5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.953 6.026 -6.060 1.00 0.00 H new ATOM 391 N ASP A 26 4.743 3.188 -6.876 1.00 0.00 N ATOM 392 CA ASP A 26 5.627 3.682 -7.925 1.00 0.00 C ATOM 393 C ASP A 26 6.258 2.490 -8.654 1.00 0.00 C ATOM 394 O ASP A 26 6.097 2.325 -9.863 1.00 0.00 O ATOM 395 CB ASP A 26 6.661 4.639 -7.305 1.00 0.00 C ATOM 396 CG ASP A 26 6.780 5.962 -8.047 1.00 0.00 C ATOM 397 OD1 ASP A 26 5.984 6.872 -7.708 1.00 0.00 O ATOM 398 OD2 ASP A 26 7.698 6.082 -8.881 1.00 0.00 O ATOM 0 H ASP A 26 4.959 3.555 -5.949 1.00 0.00 H new ATOM 0 HA ASP A 26 5.076 4.253 -8.672 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.388 4.836 -6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.635 4.150 -7.291 1.00 0.00 H new ATOM 403 N GLN A 27 6.899 1.598 -7.887 1.00 0.00 N ATOM 404 CA GLN A 27 7.426 0.354 -8.437 1.00 0.00 C ATOM 405 C GLN A 27 6.320 -0.491 -9.082 1.00 0.00 C ATOM 406 O GLN A 27 6.507 -1.023 -10.172 1.00 0.00 O ATOM 407 CB GLN A 27 8.170 -0.445 -7.360 1.00 0.00 C ATOM 408 CG GLN A 27 9.664 -0.117 -7.307 1.00 0.00 C ATOM 409 CD GLN A 27 10.425 -0.715 -8.488 1.00 0.00 C ATOM 410 OE1 GLN A 27 11.008 0.010 -9.287 1.00 0.00 O ATOM 411 NE2 GLN A 27 10.420 -2.040 -8.621 1.00 0.00 N ATOM 0 H GLN A 27 7.062 1.719 -6.887 1.00 0.00 H new ATOM 0 HA GLN A 27 8.137 0.615 -9.221 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.723 -0.240 -6.387 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.043 -1.511 -7.551 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.797 0.965 -7.301 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.085 -0.496 -6.376 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.927 -2.619 -7.941 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.909 -2.476 -9.403 1.00 0.00 H new ATOM 420 N ALA A 28 5.167 -0.638 -8.426 1.00 0.00 N ATOM 421 CA ALA A 28 4.052 -1.391 -8.993 1.00 0.00 C ATOM 422 C ALA A 28 3.741 -0.914 -10.416 1.00 0.00 C ATOM 423 O ALA A 28 3.770 -1.710 -11.356 1.00 0.00 O ATOM 424 CB ALA A 28 2.833 -1.294 -8.073 1.00 0.00 C ATOM 0 H ALA A 28 4.983 -0.245 -7.503 1.00 0.00 H new ATOM 0 HA ALA A 28 4.330 -2.442 -9.065 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.006 -1.859 -8.504 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.082 -1.705 -7.095 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.541 -0.249 -7.964 1.00 0.00 H new ATOM 430 N GLU A 29 3.474 0.380 -10.596 1.00 0.00 N ATOM 431 CA GLU A 29 3.203 0.935 -11.909 1.00 0.00 C ATOM 432 C GLU A 29 4.392 0.705 -12.850 1.00 0.00 C ATOM 433 O GLU A 29 4.168 0.355 -14.007 1.00 0.00 O ATOM 434 CB GLU A 29 2.804 2.415 -11.835 1.00 0.00 C ATOM 435 CG GLU A 29 1.360 2.587 -11.335 1.00 0.00 C ATOM 436 CD GLU A 29 0.859 4.025 -11.444 1.00 0.00 C ATOM 437 OE1 GLU A 29 1.662 4.892 -11.851 1.00 0.00 O ATOM 438 OE2 GLU A 29 -0.334 4.234 -11.133 1.00 0.00 O ATOM 0 H GLU A 29 3.441 1.062 -9.839 1.00 0.00 H new ATOM 0 HA GLU A 29 2.345 0.407 -12.324 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.486 2.943 -11.169 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.905 2.870 -12.821 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.702 1.934 -11.909 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.300 2.265 -10.295 1.00 0.00 H new ATOM 445 N GLU A 30 5.639 0.825 -12.371 1.00 0.00 N ATOM 446 CA GLU A 30 6.808 0.418 -13.157 1.00 0.00 C ATOM 447 C GLU A 30 6.677 -1.009 -13.697 1.00 0.00 C ATOM 448 O GLU A 30 7.067 -1.272 -14.834 1.00 0.00 O ATOM 449 CB GLU A 30 8.130 0.643 -12.407 1.00 0.00 C ATOM 450 CG GLU A 30 8.444 2.133 -12.194 1.00 0.00 C ATOM 451 CD GLU A 30 9.231 2.718 -13.362 1.00 0.00 C ATOM 452 OE1 GLU A 30 10.449 2.437 -13.418 1.00 0.00 O ATOM 453 OE2 GLU A 30 8.609 3.422 -14.185 1.00 0.00 O ATOM 0 H GLU A 30 5.861 1.199 -11.448 1.00 0.00 H new ATOM 0 HA GLU A 30 6.837 1.075 -14.026 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.084 0.144 -11.439 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.944 0.181 -12.966 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.513 2.686 -12.069 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.014 2.256 -11.273 1.00 0.00 H new ATOM 460 N GLU A 31 6.111 -1.929 -12.915 1.00 0.00 N ATOM 461 CA GLU A 31 5.918 -3.304 -13.373 1.00 0.00 C ATOM 462 C GLU A 31 4.697 -3.400 -14.290 1.00 0.00 C ATOM 463 O GLU A 31 4.605 -4.297 -15.126 1.00 0.00 O ATOM 464 CB GLU A 31 5.793 -4.250 -12.176 1.00 0.00 C ATOM 465 CG GLU A 31 6.907 -3.963 -11.152 1.00 0.00 C ATOM 466 CD GLU A 31 7.735 -5.187 -10.729 1.00 0.00 C ATOM 467 OE1 GLU A 31 7.687 -6.210 -11.445 1.00 0.00 O ATOM 468 OE2 GLU A 31 8.367 -5.121 -9.650 1.00 0.00 O ATOM 0 H GLU A 31 5.780 -1.748 -11.967 1.00 0.00 H new ATOM 0 HA GLU A 31 6.791 -3.607 -13.952 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.817 -4.127 -11.706 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.857 -5.285 -12.513 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.580 -3.215 -11.571 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.457 -3.523 -10.262 1.00 0.00 H new ATOM 475 N GLY A 32 3.755 -2.475 -14.109 1.00 0.00 N ATOM 476 CA GLY A 32 2.519 -2.357 -14.870 1.00 0.00 C ATOM 477 C GLY A 32 1.297 -2.581 -13.982 1.00 0.00 C ATOM 478 O GLY A 32 0.189 -2.743 -14.488 1.00 0.00 O ATOM 0 H GLY A 32 3.841 -1.754 -13.392 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.463 -1.369 -15.326 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.519 -3.084 -15.682 1.00 0.00 H new ATOM 482 N ILE A 33 1.487 -2.612 -12.662 1.00 0.00 N ATOM 483 CA ILE A 33 0.409 -2.855 -11.721 1.00 0.00 C ATOM 484 C ILE A 33 -0.438 -1.596 -11.517 1.00 0.00 C ATOM 485 O ILE A 33 0.067 -0.568 -11.077 1.00 0.00 O ATOM 486 CB ILE A 33 0.996 -3.328 -10.390 1.00 0.00 C ATOM 487 CG1 ILE A 33 1.741 -4.654 -10.558 1.00 0.00 C ATOM 488 CG2 ILE A 33 -0.119 -3.405 -9.346 1.00 0.00 C ATOM 489 CD1 ILE A 33 2.559 -5.082 -9.340 1.00 0.00 C ATOM 0 H ILE A 33 2.396 -2.468 -12.222 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.243 -3.629 -12.125 1.00 0.00 H new ATOM 0 HB ILE A 33 1.736 -2.609 -10.038 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.017 -5.436 -10.786 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.407 -4.575 -11.417 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.295 -3.742 -8.396 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.566 -2.419 -9.218 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.882 -4.109 -9.679 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.052 -6.031 -9.548 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.310 -4.323 -9.121 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.899 -5.197 -8.480 1.00 0.00 H new ATOM 501 N ASP A 34 -1.741 -1.723 -11.769 1.00 0.00 N ATOM 502 CA ASP A 34 -2.760 -0.712 -11.512 1.00 0.00 C ATOM 503 C ASP A 34 -3.337 -0.897 -10.110 1.00 0.00 C ATOM 504 O ASP A 34 -3.889 -1.958 -9.812 1.00 0.00 O ATOM 505 CB ASP A 34 -3.855 -0.859 -12.580 1.00 0.00 C ATOM 506 CG ASP A 34 -5.046 0.073 -12.373 1.00 0.00 C ATOM 507 OD1 ASP A 34 -4.944 0.975 -11.514 1.00 0.00 O ATOM 508 OD2 ASP A 34 -6.047 -0.136 -13.090 1.00 0.00 O ATOM 0 H ASP A 34 -2.130 -2.573 -12.176 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.330 0.288 -11.563 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.421 -0.666 -13.561 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.209 -1.890 -12.585 1.00 0.00 H new ATOM 513 N ILE A 35 -3.201 0.115 -9.243 1.00 0.00 N ATOM 514 CA ILE A 35 -3.891 0.177 -7.967 1.00 0.00 C ATOM 515 C ILE A 35 -4.433 1.598 -7.775 1.00 0.00 C ATOM 516 O ILE A 35 -3.823 2.543 -8.274 1.00 0.00 O ATOM 517 CB ILE A 35 -2.957 -0.272 -6.830 1.00 0.00 C ATOM 518 CG1 ILE A 35 -1.715 0.625 -6.663 1.00 0.00 C ATOM 519 CG2 ILE A 35 -2.595 -1.744 -7.041 1.00 0.00 C ATOM 520 CD1 ILE A 35 -0.766 0.148 -5.555 1.00 0.00 C ATOM 0 H ILE A 35 -2.599 0.919 -9.419 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.737 -0.510 -7.950 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.492 -0.164 -5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.171 0.660 -7.607 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.037 1.643 -6.443 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.933 -2.074 -6.241 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.503 -2.347 -7.032 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.091 -1.861 -8.000 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.087 0.824 -5.491 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.295 0.139 -4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.415 -0.858 -5.785 1.00 0.00 H new ATOM 532 N PRO A 36 -5.574 1.769 -7.084 1.00 0.00 N ATOM 533 CA PRO A 36 -6.231 3.052 -6.951 1.00 0.00 C ATOM 534 C PRO A 36 -5.335 4.056 -6.228 1.00 0.00 C ATOM 535 O PRO A 36 -4.795 3.757 -5.164 1.00 0.00 O ATOM 536 CB PRO A 36 -7.545 2.797 -6.211 1.00 0.00 C ATOM 537 CG PRO A 36 -7.329 1.462 -5.514 1.00 0.00 C ATOM 538 CD PRO A 36 -6.369 0.739 -6.451 1.00 0.00 C ATOM 0 HA PRO A 36 -6.435 3.497 -7.925 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.759 3.590 -5.495 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.388 2.754 -6.900 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.902 1.590 -4.519 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.263 0.914 -5.392 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.737 0.043 -5.900 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -6.914 0.156 -7.193 1.00 0.00 H new ATOM 546 N TYR A 37 -5.183 5.235 -6.832 1.00 0.00 N ATOM 547 CA TYR A 37 -4.254 6.279 -6.445 1.00 0.00 C ATOM 548 C TYR A 37 -4.708 7.527 -7.212 1.00 0.00 C ATOM 549 O TYR A 37 -5.219 7.393 -8.325 1.00 0.00 O ATOM 550 CB TYR A 37 -2.825 5.814 -6.789 1.00 0.00 C ATOM 551 CG TYR A 37 -1.989 6.774 -7.609 1.00 0.00 C ATOM 552 CD1 TYR A 37 -1.205 7.743 -6.965 1.00 0.00 C ATOM 553 CD2 TYR A 37 -1.932 6.645 -9.011 1.00 0.00 C ATOM 554 CE1 TYR A 37 -0.343 8.558 -7.720 1.00 0.00 C ATOM 555 CE2 TYR A 37 -1.121 7.510 -9.766 1.00 0.00 C ATOM 556 CZ TYR A 37 -0.326 8.466 -9.118 1.00 0.00 C ATOM 557 OH TYR A 37 0.444 9.327 -9.842 1.00 0.00 O ATOM 0 H TYR A 37 -5.738 5.494 -7.648 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.244 6.503 -5.378 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.297 5.610 -5.857 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -2.893 4.870 -7.330 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.263 7.863 -5.893 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.512 5.880 -9.506 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.309 9.258 -7.220 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.110 7.438 -10.844 1.00 0.00 H new ATOM 0 HH TYR A 37 0.345 9.130 -10.797 1.00 0.00 H new ATOM 567 N SER A 38 -4.615 8.716 -6.611 1.00 0.00 N ATOM 568 CA SER A 38 -5.181 9.942 -7.176 1.00 0.00 C ATOM 569 C SER A 38 -4.506 11.245 -6.697 1.00 0.00 C ATOM 570 O SER A 38 -5.043 12.324 -6.937 1.00 0.00 O ATOM 571 CB SER A 38 -6.701 9.938 -6.940 1.00 0.00 C ATOM 572 OG SER A 38 -7.017 9.681 -5.585 1.00 0.00 O ATOM 0 H SER A 38 -4.144 8.855 -5.717 1.00 0.00 H new ATOM 0 HA SER A 38 -4.974 9.937 -8.246 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.118 10.901 -7.235 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.166 9.182 -7.572 1.00 0.00 H new ATOM 0 HG SER A 38 -7.990 9.687 -5.469 1.00 0.00 H new ATOM 578 N CYS A 39 -3.313 11.149 -6.099 1.00 0.00 N ATOM 579 CA CYS A 39 -2.414 12.221 -5.662 1.00 0.00 C ATOM 580 C CYS A 39 -1.105 11.530 -5.255 1.00 0.00 C ATOM 581 O CYS A 39 -0.994 10.323 -5.448 1.00 0.00 O ATOM 582 CB CYS A 39 -3.014 13.103 -4.575 1.00 0.00 C ATOM 583 SG CYS A 39 -2.438 12.975 -2.850 1.00 0.00 S ATOM 0 H CYS A 39 -2.916 10.233 -5.890 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.231 12.933 -6.467 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.870 14.138 -4.885 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.088 12.919 -4.569 1.00 0.00 H new ATOM 588 N ARG A 40 -0.101 12.232 -4.725 1.00 0.00 N ATOM 589 CA ARG A 40 0.968 11.555 -3.994 1.00 0.00 C ATOM 590 C ARG A 40 1.701 12.559 -3.104 1.00 0.00 C ATOM 591 O ARG A 40 2.776 13.041 -3.463 1.00 0.00 O ATOM 592 CB ARG A 40 1.931 10.777 -4.929 1.00 0.00 C ATOM 593 CG ARG A 40 2.290 9.387 -4.360 1.00 0.00 C ATOM 594 CD ARG A 40 3.783 9.020 -4.370 1.00 0.00 C ATOM 595 NE ARG A 40 4.385 8.924 -5.715 1.00 0.00 N ATOM 596 CZ ARG A 40 5.232 9.811 -6.261 1.00 0.00 C ATOM 597 NH1 ARG A 40 5.391 11.023 -5.716 1.00 0.00 N ATOM 598 NH2 ARG A 40 5.929 9.478 -7.350 1.00 0.00 N ATOM 0 H ARG A 40 -0.007 13.246 -4.786 1.00 0.00 H new ATOM 0 HA ARG A 40 0.516 10.796 -3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.469 10.659 -5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.843 11.356 -5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.930 9.333 -3.333 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.747 8.632 -4.929 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.331 9.766 -3.794 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.912 8.065 -3.860 1.00 0.00 H new ATOM 0 HE ARG A 40 4.135 8.112 -6.279 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.867 11.279 -4.879 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.037 11.691 -6.137 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.817 8.553 -7.764 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.574 10.149 -7.768 1.00 0.00 H new ATOM 612 N ALA A 41 1.123 12.880 -1.943 1.00 0.00 N ATOM 613 CA ALA A 41 1.747 13.772 -0.972 1.00 0.00 C ATOM 614 C ALA A 41 1.557 13.240 0.447 1.00 0.00 C ATOM 615 O ALA A 41 2.515 12.773 1.050 1.00 0.00 O ATOM 616 CB ALA A 41 1.211 15.197 -1.138 1.00 0.00 C ATOM 0 H ALA A 41 0.211 12.527 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 41 2.821 13.807 -1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.685 15.852 -0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.433 15.555 -2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.132 15.200 -0.982 1.00 0.00 H new ATOM 622 N GLY A 42 0.330 13.297 0.968 1.00 0.00 N ATOM 623 CA GLY A 42 0.007 12.868 2.322 1.00 0.00 C ATOM 624 C GLY A 42 -0.957 13.865 2.934 1.00 0.00 C ATOM 625 O GLY A 42 -0.556 14.749 3.689 1.00 0.00 O ATOM 0 H GLY A 42 -0.476 13.648 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.438 11.873 2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.914 12.802 2.923 1.00 0.00 H new ATOM 629 N SER A 43 -2.231 13.741 2.558 1.00 0.00 N ATOM 630 CA SER A 43 -3.265 14.702 2.909 1.00 0.00 C ATOM 631 C SER A 43 -4.635 14.228 2.431 1.00 0.00 C ATOM 632 O SER A 43 -5.626 14.429 3.131 1.00 0.00 O ATOM 633 CB SER A 43 -2.935 16.079 2.314 1.00 0.00 C ATOM 634 OG SER A 43 -2.533 15.975 0.957 1.00 0.00 O ATOM 0 H SER A 43 -2.572 12.961 1.996 1.00 0.00 H new ATOM 0 HA SER A 43 -3.298 14.788 3.995 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.808 16.727 2.387 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.141 16.547 2.895 1.00 0.00 H new ATOM 0 HG SER A 43 -2.332 16.868 0.606 1.00 0.00 H new ATOM 640 N CYS A 44 -4.705 13.658 1.223 1.00 0.00 N ATOM 641 CA CYS A 44 -5.967 13.172 0.690 1.00 0.00 C ATOM 642 C CYS A 44 -6.501 12.024 1.554 1.00 0.00 C ATOM 643 O CYS A 44 -5.747 11.365 2.272 1.00 0.00 O ATOM 644 CB CYS A 44 -5.841 12.791 -0.767 1.00 0.00 C ATOM 645 SG CYS A 44 -5.515 11.039 -1.103 1.00 0.00 S ATOM 0 H CYS A 44 -3.904 13.526 0.605 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.698 13.980 0.731 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.762 13.073 -1.277 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.038 13.381 -1.209 1.00 0.00 H new ATOM 650 N SER A 45 -7.819 11.827 1.516 1.00 0.00 N ATOM 651 CA SER A 45 -8.503 10.762 2.225 1.00 0.00 C ATOM 652 C SER A 45 -8.986 9.744 1.196 1.00 0.00 C ATOM 653 O SER A 45 -10.177 9.710 0.880 1.00 0.00 O ATOM 654 CB SER A 45 -9.654 11.365 3.037 1.00 0.00 C ATOM 655 OG SER A 45 -10.514 12.095 2.182 1.00 0.00 O ATOM 0 H SER A 45 -8.449 12.421 0.977 1.00 0.00 H new ATOM 0 HA SER A 45 -7.843 10.252 2.926 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.211 10.574 3.538 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.259 12.019 3.815 1.00 0.00 H new ATOM 0 HG SER A 45 -10.808 11.520 1.445 1.00 0.00 H new ATOM 661 N SER A 46 -8.069 8.966 0.625 1.00 0.00 N ATOM 662 CA SER A 46 -8.356 7.968 -0.397 1.00 0.00 C ATOM 663 C SER A 46 -7.292 6.864 -0.306 1.00 0.00 C ATOM 664 O SER A 46 -6.745 6.678 0.775 1.00 0.00 O ATOM 665 CB SER A 46 -8.435 8.662 -1.769 1.00 0.00 C ATOM 666 OG SER A 46 -9.517 9.576 -1.802 1.00 0.00 O ATOM 0 H SER A 46 -7.080 9.016 0.869 1.00 0.00 H new ATOM 0 HA SER A 46 -9.323 7.487 -0.247 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.502 9.187 -1.972 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.558 7.916 -2.554 1.00 0.00 H new ATOM 0 HG SER A 46 -9.552 10.010 -2.680 1.00 0.00 H new ATOM 672 N CYS A 47 -7.008 6.140 -1.400 1.00 0.00 N ATOM 673 CA CYS A 47 -5.784 5.359 -1.590 1.00 0.00 C ATOM 674 C CYS A 47 -5.395 4.478 -0.383 1.00 0.00 C ATOM 675 O CYS A 47 -4.635 4.866 0.499 1.00 0.00 O ATOM 676 CB CYS A 47 -4.674 6.279 -2.049 1.00 0.00 C ATOM 677 SG CYS A 47 -4.152 7.532 -0.841 1.00 0.00 S ATOM 0 H CYS A 47 -7.643 6.083 -2.196 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.977 4.625 -2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.808 5.672 -2.315 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.998 6.787 -2.957 1.00 0.00 H new ATOM 682 N ALA A 48 -5.903 3.241 -0.321 1.00 0.00 N ATOM 683 CA ALA A 48 -5.581 2.376 0.807 1.00 0.00 C ATOM 684 C ALA A 48 -5.624 0.898 0.455 1.00 0.00 C ATOM 685 O ALA A 48 -6.204 0.496 -0.560 1.00 0.00 O ATOM 686 CB ALA A 48 -6.504 2.695 1.983 1.00 0.00 C ATOM 0 H ALA A 48 -6.521 2.830 -1.020 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.549 2.582 1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.260 2.046 2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.371 3.736 2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.540 2.531 1.687 1.00 0.00 H new ATOM 692 N GLY A 49 -5.017 0.099 1.336 1.00 0.00 N ATOM 693 CA GLY A 49 -4.968 -1.345 1.286 1.00 0.00 C ATOM 694 C GLY A 49 -4.920 -1.943 2.693 1.00 0.00 C ATOM 695 O GLY A 49 -4.591 -1.238 3.640 1.00 0.00 O ATOM 0 H GLY A 49 -4.522 0.474 2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.842 -1.724 0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.091 -1.663 0.722 1.00 0.00 H new ATOM 699 N LYS A 50 -5.264 -3.227 2.840 1.00 0.00 N ATOM 700 CA LYS A 50 -5.335 -3.952 4.092 1.00 0.00 C ATOM 701 C LYS A 50 -4.067 -4.776 4.326 1.00 0.00 C ATOM 702 O LYS A 50 -3.828 -5.726 3.591 1.00 0.00 O ATOM 703 CB LYS A 50 -6.578 -4.846 4.033 1.00 0.00 C ATOM 704 CG LYS A 50 -7.170 -5.077 5.421 1.00 0.00 C ATOM 705 CD LYS A 50 -8.616 -5.534 5.253 1.00 0.00 C ATOM 706 CE LYS A 50 -9.327 -5.481 6.613 1.00 0.00 C ATOM 707 NZ LYS A 50 -10.797 -5.460 6.451 1.00 0.00 N ATOM 0 H LYS A 50 -5.512 -3.810 2.040 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.409 -3.258 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.328 -4.386 3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.317 -5.804 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.594 -5.829 5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.127 -4.161 6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.130 -4.894 4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.645 -6.548 4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.037 -6.345 7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.007 -4.594 7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.250 -5.679 7.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.098 -4.517 6.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.079 -6.170 5.745 1.00 0.00 H new ATOM 721 N VAL A 51 -3.252 -4.441 5.327 1.00 0.00 N ATOM 722 CA VAL A 51 -2.095 -5.231 5.725 1.00 0.00 C ATOM 723 C VAL A 51 -2.547 -6.646 6.099 1.00 0.00 C ATOM 724 O VAL A 51 -3.277 -6.822 7.072 1.00 0.00 O ATOM 725 CB VAL A 51 -1.386 -4.571 6.935 1.00 0.00 C ATOM 726 CG1 VAL A 51 -0.102 -5.313 7.324 1.00 0.00 C ATOM 727 CG2 VAL A 51 -1.028 -3.104 6.687 1.00 0.00 C ATOM 0 H VAL A 51 -3.382 -3.600 5.890 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.394 -5.280 4.892 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.110 -4.629 7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.362 -4.816 8.176 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.343 -6.342 7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.590 -5.309 6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.534 -2.696 7.569 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.358 -3.033 5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.937 -2.537 6.485 1.00 0.00 H new ATOM 737 N VAL A 52 -2.098 -7.653 5.348 1.00 0.00 N ATOM 738 CA VAL A 52 -2.340 -9.053 5.671 1.00 0.00 C ATOM 739 C VAL A 52 -1.199 -9.592 6.536 1.00 0.00 C ATOM 740 O VAL A 52 -1.443 -10.254 7.542 1.00 0.00 O ATOM 741 CB VAL A 52 -2.476 -9.854 4.374 1.00 0.00 C ATOM 742 CG1 VAL A 52 -2.662 -11.358 4.621 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.649 -9.331 3.543 1.00 0.00 C ATOM 0 H VAL A 52 -1.554 -7.516 4.496 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.266 -9.149 6.238 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.541 -9.720 3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.753 -11.875 3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.800 -11.747 5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.565 -11.521 5.209 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.731 -9.912 2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.571 -9.425 4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.481 -8.283 3.296 1.00 0.00 H new ATOM 753 N SER A 53 0.052 -9.353 6.131 1.00 0.00 N ATOM 754 CA SER A 53 1.225 -9.819 6.862 1.00 0.00 C ATOM 755 C SER A 53 2.428 -8.995 6.434 1.00 0.00 C ATOM 756 O SER A 53 2.317 -8.219 5.492 1.00 0.00 O ATOM 757 CB SER A 53 1.487 -11.301 6.584 1.00 0.00 C ATOM 758 OG SER A 53 2.413 -11.812 7.525 1.00 0.00 O ATOM 0 H SER A 53 0.276 -8.829 5.285 1.00 0.00 H new ATOM 0 HA SER A 53 1.049 -9.701 7.931 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.553 -11.861 6.639 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.875 -11.427 5.573 1.00 0.00 H new ATOM 0 HG SER A 53 2.575 -12.761 7.342 1.00 0.00 H new ATOM 764 N GLY A 54 3.569 -9.202 7.091 1.00 0.00 N ATOM 765 CA GLY A 54 4.750 -8.358 6.939 1.00 0.00 C ATOM 766 C GLY A 54 4.520 -6.969 7.536 1.00 0.00 C ATOM 767 O GLY A 54 3.510 -6.736 8.202 1.00 0.00 O ATOM 0 H GLY A 54 3.699 -9.969 7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.602 -8.830 7.428 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.000 -8.265 5.882 1.00 0.00 H new ATOM 771 N SER A 55 5.444 -6.040 7.265 1.00 0.00 N ATOM 772 CA SER A 55 5.359 -4.656 7.700 1.00 0.00 C ATOM 773 C SER A 55 5.907 -3.757 6.593 1.00 0.00 C ATOM 774 O SER A 55 6.818 -4.157 5.863 1.00 0.00 O ATOM 775 CB SER A 55 6.177 -4.444 8.980 1.00 0.00 C ATOM 776 OG SER A 55 5.935 -5.474 9.921 1.00 0.00 O ATOM 0 H SER A 55 6.286 -6.241 6.726 1.00 0.00 H new ATOM 0 HA SER A 55 4.318 -4.409 7.907 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.239 -4.414 8.735 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.924 -3.479 9.420 1.00 0.00 H new ATOM 0 HG SER A 55 6.470 -5.314 10.726 1.00 0.00 H new ATOM 782 N ILE A 56 5.370 -2.540 6.509 1.00 0.00 N ATOM 783 CA ILE A 56 5.857 -1.447 5.688 1.00 0.00 C ATOM 784 C ILE A 56 5.890 -0.203 6.573 1.00 0.00 C ATOM 785 O ILE A 56 5.263 -0.198 7.634 1.00 0.00 O ATOM 786 CB ILE A 56 4.949 -1.227 4.464 1.00 0.00 C ATOM 787 CG1 ILE A 56 3.503 -0.859 4.826 1.00 0.00 C ATOM 788 CG2 ILE A 56 4.966 -2.419 3.503 1.00 0.00 C ATOM 789 CD1 ILE A 56 2.660 -0.696 3.556 1.00 0.00 C ATOM 0 H ILE A 56 4.540 -2.283 7.043 1.00 0.00 H new ATOM 0 HA ILE A 56 6.851 -1.672 5.302 1.00 0.00 H new ATOM 0 HB ILE A 56 5.380 -0.365 3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.071 -1.634 5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.490 0.067 5.401 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.310 -2.214 2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.982 -2.582 3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.618 -3.311 4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.637 -0.435 3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.083 0.095 2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.659 -1.632 2.997 1.00 0.00 H new ATOM 801 N ASP A 57 6.577 0.847 6.122 1.00 0.00 N ATOM 802 CA ASP A 57 6.614 2.143 6.765 1.00 0.00 C ATOM 803 C ASP A 57 5.782 3.084 5.906 1.00 0.00 C ATOM 804 O ASP A 57 6.169 3.401 4.781 1.00 0.00 O ATOM 805 CB ASP A 57 8.065 2.632 6.874 1.00 0.00 C ATOM 806 CG ASP A 57 8.135 4.100 7.279 1.00 0.00 C ATOM 807 OD1 ASP A 57 7.125 4.587 7.832 1.00 0.00 O ATOM 808 OD2 ASP A 57 9.184 4.722 7.021 1.00 0.00 O ATOM 0 H ASP A 57 7.138 0.808 5.271 1.00 0.00 H new ATOM 0 HA ASP A 57 6.212 2.098 7.777 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.599 2.026 7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.569 2.494 5.917 1.00 0.00 H new ATOM 813 N GLN A 58 4.628 3.503 6.425 1.00 0.00 N ATOM 814 CA GLN A 58 3.845 4.576 5.849 1.00 0.00 C ATOM 815 C GLN A 58 3.903 5.814 6.749 1.00 0.00 C ATOM 816 O GLN A 58 2.881 6.439 7.017 1.00 0.00 O ATOM 817 CB GLN A 58 2.430 4.060 5.618 1.00 0.00 C ATOM 818 CG GLN A 58 1.933 3.321 6.857 1.00 0.00 C ATOM 819 CD GLN A 58 0.452 3.049 6.756 1.00 0.00 C ATOM 820 OE1 GLN A 58 -0.153 3.253 5.713 1.00 0.00 O ATOM 821 NE2 GLN A 58 -0.125 2.516 7.819 1.00 0.00 N ATOM 0 H GLN A 58 4.214 3.098 7.265 1.00 0.00 H new ATOM 0 HA GLN A 58 4.249 4.889 4.886 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.764 4.892 5.390 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.414 3.393 4.756 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.474 2.381 6.968 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.139 3.914 7.748 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.416 2.363 8.670 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.111 2.258 7.788 1.00 0.00 H new ATOM 830 N SER A 59 5.095 6.191 7.217 1.00 0.00 N ATOM 831 CA SER A 59 5.310 7.461 7.895 1.00 0.00 C ATOM 832 C SER A 59 4.782 8.608 7.026 1.00 0.00 C ATOM 833 O SER A 59 4.060 9.481 7.507 1.00 0.00 O ATOM 834 CB SER A 59 6.806 7.626 8.209 1.00 0.00 C ATOM 835 OG SER A 59 7.050 8.852 8.874 1.00 0.00 O ATOM 0 H SER A 59 5.936 5.620 7.134 1.00 0.00 H new ATOM 0 HA SER A 59 4.763 7.480 8.838 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.145 6.797 8.830 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.382 7.588 7.285 1.00 0.00 H new ATOM 0 HG SER A 59 8.008 8.935 9.065 1.00 0.00 H new ATOM 841 N ASP A 60 5.093 8.566 5.728 1.00 0.00 N ATOM 842 CA ASP A 60 4.806 9.612 4.753 1.00 0.00 C ATOM 843 C ASP A 60 3.336 9.580 4.295 1.00 0.00 C ATOM 844 O ASP A 60 3.045 9.700 3.111 1.00 0.00 O ATOM 845 CB ASP A 60 5.795 9.405 3.590 1.00 0.00 C ATOM 846 CG ASP A 60 5.919 10.596 2.648 1.00 0.00 C ATOM 847 OD1 ASP A 60 5.719 11.734 3.124 1.00 0.00 O ATOM 848 OD2 ASP A 60 6.309 10.339 1.484 1.00 0.00 O ATOM 0 H ASP A 60 5.572 7.766 5.314 1.00 0.00 H new ATOM 0 HA ASP A 60 4.937 10.602 5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.779 9.179 4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.483 8.533 3.015 1.00 0.00 H new ATOM 853 N GLN A 61 2.411 9.373 5.241 1.00 0.00 N ATOM 854 CA GLN A 61 0.987 9.145 5.019 1.00 0.00 C ATOM 855 C GLN A 61 0.154 10.373 5.389 1.00 0.00 C ATOM 856 O GLN A 61 -0.412 11.026 4.522 1.00 0.00 O ATOM 857 CB GLN A 61 0.561 7.908 5.827 1.00 0.00 C ATOM 858 CG GLN A 61 -0.948 7.652 5.827 1.00 0.00 C ATOM 859 CD GLN A 61 -1.300 6.329 6.493 1.00 0.00 C ATOM 860 OE1 GLN A 61 -1.785 5.420 5.840 1.00 0.00 O ATOM 861 NE2 GLN A 61 -1.128 6.205 7.804 1.00 0.00 N ATOM 0 H GLN A 61 2.654 9.360 6.232 1.00 0.00 H new ATOM 0 HA GLN A 61 0.809 8.966 3.959 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.068 7.031 5.423 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.899 8.026 6.857 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.454 8.466 6.346 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.316 7.651 4.801 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.721 6.972 8.340 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.402 5.343 8.275 1.00 0.00 H new ATOM 870 N SER A 62 0.019 10.661 6.686 1.00 0.00 N ATOM 871 CA SER A 62 -0.862 11.717 7.176 1.00 0.00 C ATOM 872 C SER A 62 -2.298 11.544 6.641 1.00 0.00 C ATOM 873 O SER A 62 -2.827 12.411 5.948 1.00 0.00 O ATOM 874 CB SER A 62 -0.257 13.087 6.831 1.00 0.00 C ATOM 875 OG SER A 62 -0.749 14.084 7.706 1.00 0.00 O ATOM 0 H SER A 62 0.519 10.166 7.425 1.00 0.00 H new ATOM 0 HA SER A 62 -0.941 11.650 8.261 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.830 13.039 6.901 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.499 13.348 5.801 1.00 0.00 H new ATOM 0 HG SER A 62 -0.352 14.949 7.473 1.00 0.00 H new ATOM 881 N PHE A 63 -2.936 10.416 6.978 1.00 0.00 N ATOM 882 CA PHE A 63 -4.341 10.155 6.681 1.00 0.00 C ATOM 883 C PHE A 63 -4.886 9.044 7.585 1.00 0.00 C ATOM 884 O PHE A 63 -5.751 9.337 8.405 1.00 0.00 O ATOM 885 CB PHE A 63 -4.596 9.873 5.188 1.00 0.00 C ATOM 886 CG PHE A 63 -5.980 9.333 4.852 1.00 0.00 C ATOM 887 CD1 PHE A 63 -7.115 9.699 5.607 1.00 0.00 C ATOM 888 CD2 PHE A 63 -6.116 8.372 3.832 1.00 0.00 C ATOM 889 CE1 PHE A 63 -8.311 8.972 5.483 1.00 0.00 C ATOM 890 CE2 PHE A 63 -7.317 7.660 3.700 1.00 0.00 C ATOM 891 CZ PHE A 63 -8.399 7.928 4.550 1.00 0.00 C ATOM 0 H PHE A 63 -2.479 9.650 7.472 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.894 11.068 6.901 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.439 10.796 4.629 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.851 9.158 4.838 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.064 10.540 6.282 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.298 8.184 3.153 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.160 9.216 6.104 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.409 6.900 2.938 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.298 7.332 4.487 1.00 0.00 H new ATOM 901 N LEU A 64 -4.428 7.789 7.441 1.00 0.00 N ATOM 902 CA LEU A 64 -5.062 6.695 8.180 1.00 0.00 C ATOM 903 C LEU A 64 -4.995 6.943 9.678 1.00 0.00 C ATOM 904 O LEU A 64 -4.025 7.511 10.185 1.00 0.00 O ATOM 905 CB LEU A 64 -4.507 5.300 7.864 1.00 0.00 C ATOM 906 CG LEU A 64 -5.230 4.647 6.682 1.00 0.00 C ATOM 907 CD1 LEU A 64 -5.169 5.511 5.426 1.00 0.00 C ATOM 908 CD2 LEU A 64 -4.599 3.283 6.459 1.00 0.00 C ATOM 0 H LEU A 64 -3.649 7.517 6.841 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.098 6.694 7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.443 5.376 7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.604 4.664 8.744 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.291 4.539 6.909 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.694 5.009 4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.641 6.474 5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.128 5.668 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.090 2.787 5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.539 3.404 6.237 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.714 2.677 7.358 1.00 0.00 H new ATOM 920 N ASP A 65 -6.026 6.471 10.367 1.00 0.00 N ATOM 921 CA ASP A 65 -6.128 6.552 11.811 1.00 0.00 C ATOM 922 C ASP A 65 -5.411 5.359 12.425 1.00 0.00 C ATOM 923 O ASP A 65 -5.212 4.330 11.773 1.00 0.00 O ATOM 924 CB ASP A 65 -7.593 6.567 12.256 1.00 0.00 C ATOM 925 CG ASP A 65 -8.390 7.710 11.645 1.00 0.00 C ATOM 926 OD1 ASP A 65 -8.248 8.840 12.159 1.00 0.00 O ATOM 927 OD2 ASP A 65 -9.138 7.425 10.685 1.00 0.00 O ATOM 0 H ASP A 65 -6.825 6.015 9.927 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.664 7.479 12.148 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.059 5.620 11.983 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.636 6.642 13.343 1.00 0.00 H new ATOM 932 N ASP A 66 -5.065 5.482 13.707 1.00 0.00 N ATOM 933 CA ASP A 66 -4.447 4.420 14.483 1.00 0.00 C ATOM 934 C ASP A 66 -5.337 3.188 14.413 1.00 0.00 C ATOM 935 O ASP A 66 -4.852 2.072 14.245 1.00 0.00 O ATOM 936 CB ASP A 66 -4.268 4.875 15.937 1.00 0.00 C ATOM 937 CG ASP A 66 -3.350 6.080 16.044 1.00 0.00 C ATOM 938 OD1 ASP A 66 -3.825 7.172 15.661 1.00 0.00 O ATOM 939 OD2 ASP A 66 -2.199 5.891 16.492 1.00 0.00 O ATOM 0 H ASP A 66 -5.211 6.340 14.239 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.464 4.181 14.078 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.241 5.121 16.363 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.860 4.054 16.527 1.00 0.00 H new ATOM 944 N GLU A 67 -6.651 3.414 14.508 1.00 0.00 N ATOM 945 CA GLU A 67 -7.657 2.379 14.425 1.00 0.00 C ATOM 946 C GLU A 67 -7.474 1.593 13.135 1.00 0.00 C ATOM 947 O GLU A 67 -7.227 0.397 13.173 1.00 0.00 O ATOM 948 CB GLU A 67 -9.071 2.976 14.502 1.00 0.00 C ATOM 949 CG GLU A 67 -9.155 4.300 15.263 1.00 0.00 C ATOM 950 CD GLU A 67 -10.577 4.584 15.735 1.00 0.00 C ATOM 951 OE1 GLU A 67 -11.508 4.203 14.992 1.00 0.00 O ATOM 952 OE2 GLU A 67 -10.707 5.154 16.839 1.00 0.00 O ATOM 0 H GLU A 67 -7.042 4.346 14.648 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.538 1.705 15.273 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.444 3.128 13.489 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.732 2.253 14.980 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.485 4.270 16.122 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.815 5.112 14.621 1.00 0.00 H new ATOM 959 N GLN A 68 -7.587 2.266 11.988 1.00 0.00 N ATOM 960 CA GLN A 68 -7.399 1.661 10.682 1.00 0.00 C ATOM 961 C GLN A 68 -6.073 0.897 10.611 1.00 0.00 C ATOM 962 O GLN A 68 -6.054 -0.269 10.219 1.00 0.00 O ATOM 963 CB GLN A 68 -7.493 2.748 9.614 1.00 0.00 C ATOM 964 CG GLN A 68 -8.897 3.353 9.595 1.00 0.00 C ATOM 965 CD GLN A 68 -8.941 4.645 8.805 1.00 0.00 C ATOM 966 OE1 GLN A 68 -7.925 5.293 8.591 1.00 0.00 O ATOM 967 NE2 GLN A 68 -10.121 5.007 8.338 1.00 0.00 N ATOM 0 H GLN A 68 -7.815 3.259 11.947 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.185 0.927 10.503 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.757 3.527 9.812 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.257 2.328 8.636 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.596 2.637 9.161 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.226 3.540 10.617 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.945 4.440 8.538 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.209 5.854 7.777 1.00 0.00 H new ATOM 976 N MET A 69 -4.957 1.527 10.991 1.00 0.00 N ATOM 977 CA MET A 69 -3.672 0.845 11.011 1.00 0.00 C ATOM 978 C MET A 69 -3.743 -0.467 11.800 1.00 0.00 C ATOM 979 O MET A 69 -3.527 -1.536 11.230 1.00 0.00 O ATOM 980 CB MET A 69 -2.588 1.779 11.547 1.00 0.00 C ATOM 981 CG MET A 69 -2.357 2.942 10.585 1.00 0.00 C ATOM 982 SD MET A 69 -0.961 4.012 11.008 1.00 0.00 S ATOM 983 CE MET A 69 -1.821 5.591 11.039 1.00 0.00 C ATOM 0 H MET A 69 -4.923 2.503 11.286 1.00 0.00 H new ATOM 0 HA MET A 69 -3.408 0.576 9.988 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.881 2.161 12.525 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.660 1.225 11.686 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.199 2.541 9.584 1.00 0.00 H new ATOM 0 HG3 MET A 69 -3.262 3.548 10.546 1.00 0.00 H new ATOM 0 HE1 MET A 69 -1.093 6.401 11.091 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.419 5.698 10.134 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.473 5.633 11.911 1.00 0.00 H new ATOM 993 N ASP A 70 -4.083 -0.387 13.088 1.00 0.00 N ATOM 994 CA ASP A 70 -4.156 -1.531 13.995 1.00 0.00 C ATOM 995 C ASP A 70 -5.101 -2.602 13.446 1.00 0.00 C ATOM 996 O ASP A 70 -4.802 -3.795 13.441 1.00 0.00 O ATOM 997 CB ASP A 70 -4.652 -1.052 15.363 1.00 0.00 C ATOM 998 CG ASP A 70 -4.661 -2.199 16.362 1.00 0.00 C ATOM 999 OD1 ASP A 70 -3.553 -2.576 16.800 1.00 0.00 O ATOM 1000 OD2 ASP A 70 -5.773 -2.680 16.667 1.00 0.00 O ATOM 0 H ASP A 70 -4.321 0.497 13.539 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.163 -1.971 14.091 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.010 -0.250 15.728 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.656 -0.638 15.267 1.00 0.00 H new ATOM 1005 N ALA A 71 -6.235 -2.134 12.927 1.00 0.00 N ATOM 1006 CA ALA A 71 -7.287 -2.934 12.322 1.00 0.00 C ATOM 1007 C ALA A 71 -6.788 -3.687 11.090 1.00 0.00 C ATOM 1008 O ALA A 71 -7.415 -4.660 10.672 1.00 0.00 O ATOM 1009 CB ALA A 71 -8.446 -2.011 11.944 1.00 0.00 C ATOM 0 H ALA A 71 -6.451 -1.137 12.919 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.618 -3.682 13.043 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.244 -2.597 11.488 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.824 -1.517 12.839 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.097 -1.260 11.235 1.00 0.00 H new ATOM 1015 N GLY A 72 -5.678 -3.238 10.500 1.00 0.00 N ATOM 1016 CA GLY A 72 -4.978 -3.937 9.449 1.00 0.00 C ATOM 1017 C GLY A 72 -4.996 -3.137 8.160 1.00 0.00 C ATOM 1018 O GLY A 72 -5.065 -3.757 7.112 1.00 0.00 O ATOM 0 H GLY A 72 -5.239 -2.353 10.755 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.948 -4.121 9.753 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.440 -4.910 9.284 1.00 0.00 H new ATOM 1022 N TYR A 73 -4.943 -1.800 8.190 1.00 0.00 N ATOM 1023 CA TYR A 73 -4.948 -0.972 6.983 1.00 0.00 C ATOM 1024 C TYR A 73 -3.669 -0.158 6.788 1.00 0.00 C ATOM 1025 O TYR A 73 -2.866 0.014 7.701 1.00 0.00 O ATOM 1026 CB TYR A 73 -6.195 -0.097 6.933 1.00 0.00 C ATOM 1027 CG TYR A 73 -7.458 -0.903 6.735 1.00 0.00 C ATOM 1028 CD1 TYR A 73 -7.783 -1.374 5.450 1.00 0.00 C ATOM 1029 CD2 TYR A 73 -8.331 -1.147 7.810 1.00 0.00 C ATOM 1030 CE1 TYR A 73 -9.017 -2.003 5.226 1.00 0.00 C ATOM 1031 CE2 TYR A 73 -9.565 -1.774 7.581 1.00 0.00 C ATOM 1032 CZ TYR A 73 -9.936 -2.142 6.277 1.00 0.00 C ATOM 1033 OH TYR A 73 -11.100 -2.823 6.076 1.00 0.00 O ATOM 0 H TYR A 73 -4.895 -1.263 9.056 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.976 -1.660 6.138 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.273 0.473 7.859 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.097 0.624 6.122 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.083 -1.252 4.637 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.052 -0.852 8.811 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.260 -2.381 4.244 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.230 -1.974 8.408 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.251 -2.937 5.114 1.00 0.00 H new ATOM 1043 N VAL A 74 -3.473 0.309 5.553 1.00 0.00 N ATOM 1044 CA VAL A 74 -2.246 0.908 5.070 1.00 0.00 C ATOM 1045 C VAL A 74 -2.566 1.760 3.842 1.00 0.00 C ATOM 1046 O VAL A 74 -3.606 1.573 3.217 1.00 0.00 O ATOM 1047 CB VAL A 74 -1.234 -0.220 4.775 1.00 0.00 C ATOM 1048 CG1 VAL A 74 -0.819 -0.373 3.308 1.00 0.00 C ATOM 1049 CG2 VAL A 74 -0.003 -0.102 5.677 1.00 0.00 C ATOM 0 H VAL A 74 -4.201 0.274 4.839 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.796 1.567 5.812 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.777 -1.137 5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.107 -1.193 3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.699 -0.586 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.355 0.551 2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.694 -0.908 5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.484 0.858 5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.309 -0.171 6.721 1.00 0.00 H new ATOM 1059 N LEU A 75 -1.666 2.676 3.491 1.00 0.00 N ATOM 1060 CA LEU A 75 -1.805 3.607 2.381 1.00 0.00 C ATOM 1061 C LEU A 75 -1.409 2.931 1.065 1.00 0.00 C ATOM 1062 O LEU A 75 -2.183 2.862 0.115 1.00 0.00 O ATOM 1063 CB LEU A 75 -0.922 4.828 2.695 1.00 0.00 C ATOM 1064 CG LEU A 75 -1.458 6.170 2.192 1.00 0.00 C ATOM 1065 CD1 LEU A 75 -1.409 6.204 0.674 1.00 0.00 C ATOM 1066 CD2 LEU A 75 -2.862 6.534 2.694 1.00 0.00 C ATOM 0 H LEU A 75 -0.786 2.792 3.994 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.840 3.928 2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.788 4.891 3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.064 4.664 2.261 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.802 6.931 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.791 7.161 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.379 6.078 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.021 5.397 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.155 7.501 2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.572 5.773 2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.857 6.587 3.783 1.00 0.00 H new ATOM 1078 N THR A 76 -0.193 2.383 1.004 1.00 0.00 N ATOM 1079 CA THR A 76 0.377 1.735 -0.177 1.00 0.00 C ATOM 1080 C THR A 76 0.919 2.785 -1.157 1.00 0.00 C ATOM 1081 O THR A 76 2.108 2.753 -1.481 1.00 0.00 O ATOM 1082 CB THR A 76 -0.602 0.748 -0.858 1.00 0.00 C ATOM 1083 OG1 THR A 76 -1.459 0.133 0.082 1.00 0.00 O ATOM 1084 CG2 THR A 76 0.160 -0.358 -1.589 1.00 0.00 C ATOM 0 H THR A 76 0.442 2.379 1.802 1.00 0.00 H new ATOM 0 HA THR A 76 1.213 1.123 0.162 1.00 0.00 H new ATOM 0 HB THR A 76 -1.191 1.334 -1.563 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.065 -0.482 -0.381 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.549 -1.039 -2.059 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.799 0.084 -2.353 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.774 -0.909 -0.877 1.00 0.00 H new ATOM 1092 N CYS A 77 0.055 3.717 -1.592 1.00 0.00 N ATOM 1093 CA CYS A 77 0.348 4.787 -2.558 1.00 0.00 C ATOM 1094 C CYS A 77 1.727 5.429 -2.333 1.00 0.00 C ATOM 1095 O CYS A 77 2.469 5.679 -3.283 1.00 0.00 O ATOM 1096 CB CYS A 77 -0.788 5.793 -2.593 1.00 0.00 C ATOM 1097 SG CYS A 77 -0.364 7.533 -2.274 1.00 0.00 S ATOM 0 H CYS A 77 -0.911 3.746 -1.264 1.00 0.00 H new ATOM 0 HA CYS A 77 0.413 4.338 -3.549 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.262 5.734 -3.573 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.534 5.487 -1.860 1.00 0.00 H new ATOM 1102 N HIS A 78 2.107 5.620 -1.068 1.00 0.00 N ATOM 1103 CA HIS A 78 3.434 6.081 -0.687 1.00 0.00 C ATOM 1104 C HIS A 78 3.914 5.424 0.608 1.00 0.00 C ATOM 1105 O HIS A 78 4.340 6.101 1.540 1.00 0.00 O ATOM 1106 CB HIS A 78 3.472 7.611 -0.649 1.00 0.00 C ATOM 1107 CG HIS A 78 2.367 8.278 0.114 1.00 0.00 C ATOM 1108 ND1 HIS A 78 1.969 9.576 -0.075 1.00 0.00 N ATOM 1109 CD2 HIS A 78 1.573 7.733 1.087 1.00 0.00 C ATOM 1110 CE1 HIS A 78 0.935 9.790 0.746 1.00 0.00 C ATOM 1111 NE2 HIS A 78 0.643 8.698 1.466 1.00 0.00 N ATOM 0 H HIS A 78 1.490 5.455 -0.273 1.00 0.00 H new ATOM 0 HA HIS A 78 4.148 5.765 -1.447 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.423 7.920 -0.216 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.453 7.981 -1.674 1.00 0.00 H new ATOM 0 HD1 HIS A 78 2.383 10.250 -0.719 1.00 0.00 H new ATOM 0 HD2 HIS A 78 1.653 6.734 1.489 1.00 0.00 H new ATOM 0 HE1 HIS A 78 0.402 10.726 0.820 1.00 0.00 H new ATOM 1119 N ALA A 79 3.876 4.090 0.657 1.00 0.00 N ATOM 1120 CA ALA A 79 4.499 3.327 1.735 1.00 0.00 C ATOM 1121 C ALA A 79 5.804 2.705 1.242 1.00 0.00 C ATOM 1122 O ALA A 79 5.934 2.409 0.055 1.00 0.00 O ATOM 1123 CB ALA A 79 3.524 2.266 2.234 1.00 0.00 C ATOM 0 H ALA A 79 3.415 3.513 -0.047 1.00 0.00 H new ATOM 0 HA ALA A 79 4.739 3.987 2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.988 1.696 3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.620 2.749 2.605 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.267 1.594 1.415 1.00 0.00 H new ATOM 1129 N TYR A 80 6.756 2.497 2.153 1.00 0.00 N ATOM 1130 CA TYR A 80 8.039 1.859 1.879 1.00 0.00 C ATOM 1131 C TYR A 80 8.031 0.443 2.458 1.00 0.00 C ATOM 1132 O TYR A 80 7.746 0.277 3.643 1.00 0.00 O ATOM 1133 CB TYR A 80 9.152 2.651 2.554 1.00 0.00 C ATOM 1134 CG TYR A 80 9.369 4.018 1.952 1.00 0.00 C ATOM 1135 CD1 TYR A 80 10.214 4.156 0.839 1.00 0.00 C ATOM 1136 CD2 TYR A 80 8.666 5.131 2.444 1.00 0.00 C ATOM 1137 CE1 TYR A 80 10.345 5.402 0.209 1.00 0.00 C ATOM 1138 CE2 TYR A 80 8.825 6.386 1.833 1.00 0.00 C ATOM 1139 CZ TYR A 80 9.671 6.523 0.719 1.00 0.00 C ATOM 1140 OH TYR A 80 9.822 7.735 0.113 1.00 0.00 O ATOM 0 H TYR A 80 6.650 2.777 3.128 1.00 0.00 H new ATOM 0 HA TYR A 80 8.204 1.825 0.802 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.917 2.762 3.613 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.080 2.084 2.491 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.763 3.303 0.468 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.004 5.022 3.291 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.965 5.499 -0.670 1.00 0.00 H new ATOM 0 HE2 TYR A 80 8.297 7.245 2.219 1.00 0.00 H new ATOM 0 HH TYR A 80 8.969 8.012 -0.281 1.00 0.00 H new ATOM 1150 N PRO A 81 8.332 -0.586 1.660 1.00 0.00 N ATOM 1151 CA PRO A 81 8.354 -1.960 2.128 1.00 0.00 C ATOM 1152 C PRO A 81 9.608 -2.234 2.953 1.00 0.00 C ATOM 1153 O PRO A 81 10.715 -2.135 2.436 1.00 0.00 O ATOM 1154 CB PRO A 81 8.298 -2.829 0.875 1.00 0.00 C ATOM 1155 CG PRO A 81 8.671 -1.904 -0.283 1.00 0.00 C ATOM 1156 CD PRO A 81 8.620 -0.483 0.245 1.00 0.00 C ATOM 0 HA PRO A 81 7.513 -2.176 2.787 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.992 -3.666 0.947 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.303 -3.251 0.735 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.667 -2.140 -0.658 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.978 -2.031 -1.115 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.568 0.028 0.077 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.851 0.095 -0.267 1.00 0.00 H new ATOM 1164 N THR A 82 9.450 -2.605 4.226 1.00 0.00 N ATOM 1165 CA THR A 82 10.576 -2.856 5.115 1.00 0.00 C ATOM 1166 C THR A 82 11.002 -4.326 5.088 1.00 0.00 C ATOM 1167 O THR A 82 12.090 -4.662 5.556 1.00 0.00 O ATOM 1168 CB THR A 82 10.211 -2.382 6.528 1.00 0.00 C ATOM 1169 OG1 THR A 82 8.870 -2.705 6.858 1.00 0.00 O ATOM 1170 CG2 THR A 82 10.348 -0.861 6.625 1.00 0.00 C ATOM 0 H THR A 82 8.539 -2.738 4.664 1.00 0.00 H new ATOM 0 HA THR A 82 11.441 -2.290 4.769 1.00 0.00 H new ATOM 0 HB THR A 82 10.891 -2.885 7.215 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.671 -2.390 7.765 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.087 -0.536 7.632 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.376 -0.574 6.406 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.679 -0.389 5.906 1.00 0.00 H new ATOM 1178 N SER A 83 10.162 -5.213 4.550 1.00 0.00 N ATOM 1179 CA SER A 83 10.458 -6.622 4.347 1.00 0.00 C ATOM 1180 C SER A 83 9.541 -7.124 3.239 1.00 0.00 C ATOM 1181 O SER A 83 8.800 -6.329 2.660 1.00 0.00 O ATOM 1182 CB SER A 83 10.234 -7.403 5.653 1.00 0.00 C ATOM 1183 OG SER A 83 11.060 -6.916 6.696 1.00 0.00 O ATOM 0 H SER A 83 9.227 -4.955 4.235 1.00 0.00 H new ATOM 0 HA SER A 83 11.500 -6.766 4.061 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.188 -7.326 5.950 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.441 -8.460 5.486 1.00 0.00 H new ATOM 0 HG SER A 83 11.607 -6.175 6.361 1.00 0.00 H new ATOM 1189 N ASP A 84 9.564 -8.427 2.957 1.00 0.00 N ATOM 1190 CA ASP A 84 8.460 -9.090 2.290 1.00 0.00 C ATOM 1191 C ASP A 84 7.191 -8.781 3.086 1.00 0.00 C ATOM 1192 O ASP A 84 7.196 -8.771 4.318 1.00 0.00 O ATOM 1193 CB ASP A 84 8.735 -10.597 2.194 1.00 0.00 C ATOM 1194 CG ASP A 84 9.065 -11.218 3.547 1.00 0.00 C ATOM 1195 OD1 ASP A 84 10.049 -10.731 4.152 1.00 0.00 O ATOM 1196 OD2 ASP A 84 8.348 -12.165 3.932 1.00 0.00 O ATOM 0 H ASP A 84 10.345 -9.042 3.185 1.00 0.00 H new ATOM 0 HA ASP A 84 8.337 -8.731 1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.863 -11.096 1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.564 -10.769 1.507 1.00 0.00 H new ATOM 1201 N VAL A 85 6.126 -8.429 2.371 1.00 0.00 N ATOM 1202 CA VAL A 85 4.895 -7.925 2.956 1.00 0.00 C ATOM 1203 C VAL A 85 3.718 -8.267 2.053 1.00 0.00 C ATOM 1204 O VAL A 85 3.862 -8.378 0.834 1.00 0.00 O ATOM 1205 CB VAL A 85 5.042 -6.420 3.280 1.00 0.00 C ATOM 1206 CG1 VAL A 85 5.527 -5.611 2.070 1.00 0.00 C ATOM 1207 CG2 VAL A 85 3.766 -5.778 3.829 1.00 0.00 C ATOM 0 H VAL A 85 6.097 -8.488 1.353 1.00 0.00 H new ATOM 0 HA VAL A 85 4.690 -8.412 3.909 1.00 0.00 H new ATOM 0 HB VAL A 85 5.796 -6.388 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.615 -4.560 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.499 -5.984 1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.812 -5.713 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.948 -4.723 4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.966 -5.874 3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.474 -6.280 4.752 1.00 0.00 H new ATOM 1217 N VAL A 86 2.559 -8.489 2.671 1.00 0.00 N ATOM 1218 CA VAL A 86 1.347 -8.894 1.993 1.00 0.00 C ATOM 1219 C VAL A 86 0.274 -7.920 2.428 1.00 0.00 C ATOM 1220 O VAL A 86 0.033 -7.756 3.624 1.00 0.00 O ATOM 1221 CB VAL A 86 0.967 -10.336 2.361 1.00 0.00 C ATOM 1222 CG1 VAL A 86 -0.266 -10.777 1.560 1.00 0.00 C ATOM 1223 CG2 VAL A 86 2.126 -11.296 2.055 1.00 0.00 C ATOM 0 H VAL A 86 2.443 -8.388 3.679 1.00 0.00 H new ATOM 0 HA VAL A 86 1.476 -8.878 0.911 1.00 0.00 H new ATOM 0 HB VAL A 86 0.746 -10.365 3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.527 -11.801 1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.103 -10.117 1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.044 -10.727 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.837 -12.312 2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.362 -11.254 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.003 -11.004 2.633 1.00 0.00 H new ATOM 1233 N ILE A 87 -0.354 -7.268 1.456 1.00 0.00 N ATOM 1234 CA ILE A 87 -1.408 -6.313 1.668 1.00 0.00 C ATOM 1235 C ILE A 87 -2.478 -6.547 0.596 1.00 0.00 C ATOM 1236 O ILE A 87 -2.163 -7.042 -0.483 1.00 0.00 O ATOM 1237 CB ILE A 87 -0.777 -4.905 1.718 1.00 0.00 C ATOM 1238 CG1 ILE A 87 -1.780 -3.765 1.535 1.00 0.00 C ATOM 1239 CG2 ILE A 87 0.457 -4.694 0.833 1.00 0.00 C ATOM 1240 CD1 ILE A 87 -1.906 -3.474 0.048 1.00 0.00 C ATOM 0 H ILE A 87 -0.128 -7.402 0.470 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.927 -6.424 2.620 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.412 -4.864 2.744 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.749 -4.041 1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.445 -2.876 2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.816 -3.671 0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.242 -5.389 1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.192 -4.871 -0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.618 -2.663 -0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.934 -3.183 -0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.257 -4.367 -0.469 1.00 0.00 H new ATOM 1252 N GLU A 88 -3.737 -6.205 0.876 1.00 0.00 N ATOM 1253 CA GLU A 88 -4.815 -6.181 -0.108 1.00 0.00 C ATOM 1254 C GLU A 88 -5.059 -4.749 -0.558 1.00 0.00 C ATOM 1255 O GLU A 88 -5.434 -3.924 0.261 1.00 0.00 O ATOM 1256 CB GLU A 88 -6.134 -6.668 0.483 1.00 0.00 C ATOM 1257 CG GLU A 88 -6.157 -7.944 1.308 1.00 0.00 C ATOM 1258 CD GLU A 88 -7.523 -8.074 1.989 1.00 0.00 C ATOM 1259 OE1 GLU A 88 -8.536 -7.732 1.331 1.00 0.00 O ATOM 1260 OE2 GLU A 88 -7.537 -8.419 3.189 1.00 0.00 O ATOM 0 H GLU A 88 -4.039 -5.932 1.811 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.508 -6.830 -0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.527 -5.867 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.833 -6.800 -0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.971 -8.808 0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.364 -7.923 2.056 1.00 0.00 H new ATOM 1267 N THR A 89 -4.902 -4.433 -1.833 1.00 0.00 N ATOM 1268 CA THR A 89 -5.176 -3.088 -2.327 1.00 0.00 C ATOM 1269 C THR A 89 -6.682 -2.870 -2.539 1.00 0.00 C ATOM 1270 O THR A 89 -7.470 -3.797 -2.376 1.00 0.00 O ATOM 1271 CB THR A 89 -4.347 -2.883 -3.595 1.00 0.00 C ATOM 1272 OG1 THR A 89 -4.428 -4.045 -4.397 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.888 -2.656 -3.201 1.00 0.00 C ATOM 0 H THR A 89 -4.586 -5.088 -2.548 1.00 0.00 H new ATOM 0 HA THR A 89 -4.885 -2.335 -1.594 1.00 0.00 H new ATOM 0 HB THR A 89 -4.725 -2.024 -4.149 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.273 -4.041 -4.894 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.287 -2.509 -4.099 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.816 -1.772 -2.567 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.519 -3.525 -2.656 1.00 0.00 H new ATOM 1281 N HIS A 90 -7.069 -1.643 -2.911 1.00 0.00 N ATOM 1282 CA HIS A 90 -8.445 -1.228 -3.190 1.00 0.00 C ATOM 1283 C HIS A 90 -9.298 -1.191 -1.917 1.00 0.00 C ATOM 1284 O HIS A 90 -10.326 -1.858 -1.844 1.00 0.00 O ATOM 1285 CB HIS A 90 -9.119 -2.083 -4.284 1.00 0.00 C ATOM 1286 CG HIS A 90 -8.432 -2.164 -5.628 1.00 0.00 C ATOM 1287 ND1 HIS A 90 -7.080 -2.232 -5.868 1.00 0.00 N ATOM 1288 CD2 HIS A 90 -9.064 -2.393 -6.820 1.00 0.00 C ATOM 1289 CE1 HIS A 90 -6.903 -2.514 -7.168 1.00 0.00 C ATOM 1290 NE2 HIS A 90 -8.086 -2.619 -7.790 1.00 0.00 N ATOM 0 H HIS A 90 -6.401 -0.882 -3.030 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.378 -0.212 -3.580 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.227 -3.097 -3.900 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -10.125 -1.694 -4.443 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.132 -2.398 -6.982 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.943 -2.639 -7.646 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.241 -2.824 -8.777 1.00 0.00 H new ATOM 1298 N LYS A 91 -8.871 -0.416 -0.911 1.00 0.00 N ATOM 1299 CA LYS A 91 -9.523 -0.369 0.399 1.00 0.00 C ATOM 1300 C LYS A 91 -9.888 1.044 0.848 1.00 0.00 C ATOM 1301 O LYS A 91 -10.255 1.250 2.005 1.00 0.00 O ATOM 1302 CB LYS A 91 -8.628 -1.068 1.420 1.00 0.00 C ATOM 1303 CG LYS A 91 -8.256 -2.473 0.934 1.00 0.00 C ATOM 1304 CD LYS A 91 -9.476 -3.366 0.946 1.00 0.00 C ATOM 1305 CE LYS A 91 -9.253 -4.725 0.298 1.00 0.00 C ATOM 1306 NZ LYS A 91 -10.069 -5.728 1.007 1.00 0.00 N ATOM 0 H LYS A 91 -8.060 0.198 -0.986 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.476 -0.893 0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.724 -0.481 1.582 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.142 -1.133 2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.844 -2.421 -0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.481 -2.894 1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.795 -3.514 1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.291 -2.858 0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.529 -4.691 -0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.198 -4.996 0.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.447 -6.363 1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.721 -5.247 1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.615 -6.282 0.317 1.00 0.00 H new ATOM 1320 N GLU A 92 -9.820 1.999 -0.079 1.00 0.00 N ATOM 1321 CA GLU A 92 -10.258 3.369 0.124 1.00 0.00 C ATOM 1322 C GLU A 92 -11.652 3.360 0.762 1.00 0.00 C ATOM 1323 O GLU A 92 -11.812 3.714 1.931 1.00 0.00 O ATOM 1324 CB GLU A 92 -10.181 4.069 -1.242 1.00 0.00 C ATOM 1325 CG GLU A 92 -10.746 5.492 -1.244 1.00 0.00 C ATOM 1326 CD GLU A 92 -12.121 5.558 -1.889 1.00 0.00 C ATOM 1327 OE1 GLU A 92 -12.168 5.310 -3.113 1.00 0.00 O ATOM 1328 OE2 GLU A 92 -13.085 5.835 -1.148 1.00 0.00 O ATOM 0 H GLU A 92 -9.448 1.831 -1.014 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.628 3.927 0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.140 4.102 -1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.723 3.473 -1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.808 5.859 -0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.063 6.153 -1.778 1.00 0.00 H new ATOM 1335 N GLU A 93 -12.644 2.833 0.045 1.00 0.00 N ATOM 1336 CA GLU A 93 -14.017 2.790 0.517 1.00 0.00 C ATOM 1337 C GLU A 93 -14.291 1.640 1.512 1.00 0.00 C ATOM 1338 O GLU A 93 -15.432 1.198 1.630 1.00 0.00 O ATOM 1339 CB GLU A 93 -14.950 2.772 -0.708 1.00 0.00 C ATOM 1340 CG GLU A 93 -14.797 1.504 -1.568 1.00 0.00 C ATOM 1341 CD GLU A 93 -15.614 1.570 -2.856 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -16.763 2.058 -2.786 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -15.078 1.106 -3.886 1.00 0.00 O ATOM 0 H GLU A 93 -12.512 2.425 -0.880 1.00 0.00 H new ATOM 0 HA GLU A 93 -14.217 3.686 1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.983 2.852 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -14.747 3.648 -1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.745 1.361 -1.816 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -15.109 0.635 -0.988 1.00 0.00 H new ATOM 1350 N GLU A 94 -13.271 1.171 2.251 1.00 0.00 N ATOM 1351 CA GLU A 94 -13.442 0.301 3.413 1.00 0.00 C ATOM 1352 C GLU A 94 -13.085 1.098 4.671 1.00 0.00 C ATOM 1353 O GLU A 94 -13.764 0.983 5.688 1.00 0.00 O ATOM 1354 CB GLU A 94 -12.561 -0.968 3.358 1.00 0.00 C ATOM 1355 CG GLU A 94 -12.968 -2.074 2.357 1.00 0.00 C ATOM 1356 CD GLU A 94 -12.216 -3.402 2.579 1.00 0.00 C ATOM 1357 OE1 GLU A 94 -11.637 -3.574 3.679 1.00 0.00 O ATOM 1358 OE2 GLU A 94 -12.159 -4.241 1.646 1.00 0.00 O ATOM 0 H GLU A 94 -12.296 1.392 2.051 1.00 0.00 H new ATOM 0 HA GLU A 94 -14.480 -0.032 3.423 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.542 -0.661 3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -12.541 -1.407 4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.040 -2.253 2.440 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.781 -1.723 1.342 1.00 0.00 H new ATOM 1365 N ILE A 95 -11.969 1.837 4.636 1.00 0.00 N ATOM 1366 CA ILE A 95 -11.417 2.465 5.824 1.00 0.00 C ATOM 1367 C ILE A 95 -12.245 3.650 6.327 1.00 0.00 C ATOM 1368 O ILE A 95 -12.394 3.798 7.541 1.00 0.00 O ATOM 1369 CB ILE A 95 -9.920 2.765 5.629 1.00 0.00 C ATOM 1370 CG1 ILE A 95 -9.697 3.779 4.506 1.00 0.00 C ATOM 1371 CG2 ILE A 95 -9.190 1.448 5.350 1.00 0.00 C ATOM 1372 CD1 ILE A 95 -8.264 4.271 4.388 1.00 0.00 C ATOM 0 H ILE A 95 -11.433 2.010 3.786 1.00 0.00 H new ATOM 0 HA ILE A 95 -11.486 1.750 6.644 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.518 3.215 6.536 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.994 3.327 3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.351 4.635 4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.127 1.644 5.209 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -9.326 0.771 6.193 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -9.597 0.990 4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.191 4.986 3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.967 4.754 5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.604 3.426 4.192 1.00 0.00 H new ATOM 1384 N VAL A 96 -12.737 4.500 5.423 1.00 0.00 N ATOM 1385 CA VAL A 96 -13.514 5.679 5.798 1.00 0.00 C ATOM 1386 C VAL A 96 -14.959 5.284 6.119 1.00 0.00 C ATOM 1387 O VAL A 96 -15.586 6.020 6.914 1.00 0.00 O ATOM 1388 CB VAL A 96 -13.450 6.769 4.712 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -12.015 7.277 4.512 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -14.022 6.310 3.363 1.00 0.00 C ATOM 1391 OXT VAL A 96 -15.421 4.270 5.550 1.00 0.00 O ATOM 0 H VAL A 96 -12.608 4.390 4.417 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.072 6.106 6.698 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.077 7.583 5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.005 8.045 3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.645 7.698 5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.375 6.449 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.948 7.123 2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.457 5.451 3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -15.068 6.030 3.488 1.00 0.00 H new TER 1401 VAL A 96 HETATM 1402 FE1 FES A 97 -3.362 10.984 -2.027 1.00 0.00 FE HETATM 1403 FE2 FES A 97 -2.406 8.673 -1.778 1.00 0.00 FE HETATM 1404 S1 FES A 97 -1.985 10.395 -0.499 1.00 0.00 S HETATM 1405 S2 FES A 97 -3.262 9.448 -3.548 1.00 0.00 S