USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=28 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 89 THR OG1 : rot 72:sc= 0.497 USER MOD Set 1.2: A 90 HIS : no HD1:sc= -1.89! C(o=-1.4!,f=-9.1!) USER MOD Set 2.1: A 23 TYR OH : rot 21:sc= 0.221 USER MOD Set 2.2: A 78 HIS : no HE2:sc= -0.194 K(o=1.3,f=-0.42) USER MOD Set 2.3: A 80 TYR OH : rot 170:sc= 1.25 USER MOD Set 3.1: A 61 GLN :FLIP amide:sc= -0.343 F(o=-1.8,f=-0.56) USER MOD Set 3.2: A 69 MET CE :methyl -173:sc= -0.212 (180deg=-0.184) USER MOD Set 4.1: A 50 LYS NZ :NH3+ -124:sc= 2.05 (180deg=0.419) USER MOD Set 4.2: A 73 TYR OH : rot -108:sc= 1.67 USER MOD Single : A 1 ALA N :NH3+ -171:sc= -0.626! (180deg=-0.724!) USER MOD Single : A 2 THR OG1 : rot -92:sc= 1.18 USER MOD Single : A 3 TYR OH : rot -115:sc= 1.11 USER MOD Single : A 4 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.15) USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= 1.28 (180deg=1.23) USER MOD Single : A 9 THR OG1 : rot 170:sc= 0.0168 USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= -0.263 (180deg=-0.643) USER MOD Single : A 18 CYS SG : rot 90:sc= -1.53 USER MOD Single : A 27 GLN : amide:sc= 2.19 K(o=2.2,f=-0.13) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -99:sc= 0.00427 USER MOD Single : A 43 SER OG : rot 58:sc= 0.0557 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -108:sc= 1.19 USER MOD Single : A 53 SER OG : rot 180:sc= 0.198 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -2.39! C(o=-2.4!,f=-7.6!) USER MOD Single : A 59 SER OG : rot 99:sc= 0.528 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.902 K(o=0.9,f=-6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0723 USER MOD Single : A 82 THR OG1 : rot -39:sc= 0.996 USER MOD Single : A 83 SER OG : rot 0:sc= 0.23 USER MOD Single : A 91 LYS NZ :NH3+ 153:sc= 2.3 (180deg=0.511) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.923 -1.417 -0.167 1.00 0.00 N ATOM 2 CA ALA A 1 16.350 -2.834 -0.123 1.00 0.00 C ATOM 3 C ALA A 1 15.840 -3.758 -1.241 1.00 0.00 C ATOM 4 O ALA A 1 16.663 -4.449 -1.833 1.00 0.00 O ATOM 5 CB ALA A 1 16.004 -3.399 1.253 1.00 0.00 C ATOM 0 H1 ALA A 1 16.451 -0.873 0.545 1.00 0.00 H new ATOM 0 H2 ALA A 1 16.113 -1.026 -1.112 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.905 -1.355 0.035 1.00 0.00 H new ATOM 0 HA ALA A 1 17.424 -2.816 -0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.311 -4.444 1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.525 -2.829 2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.928 -3.329 1.415 1.00 0.00 H new ATOM 12 N THR A 2 14.522 -3.812 -1.473 1.00 0.00 N ATOM 13 CA THR A 2 13.822 -4.565 -2.527 1.00 0.00 C ATOM 14 C THR A 2 13.280 -5.903 -2.022 1.00 0.00 C ATOM 15 O THR A 2 14.042 -6.848 -1.832 1.00 0.00 O ATOM 16 CB THR A 2 14.650 -4.682 -3.810 1.00 0.00 C ATOM 17 OG1 THR A 2 15.167 -3.406 -4.131 1.00 0.00 O ATOM 18 CG2 THR A 2 13.819 -5.197 -4.991 1.00 0.00 C ATOM 0 H THR A 2 13.867 -3.293 -0.887 1.00 0.00 H new ATOM 0 HA THR A 2 12.944 -3.981 -2.803 1.00 0.00 H new ATOM 0 HB THR A 2 15.450 -5.400 -3.632 1.00 0.00 H new ATOM 0 HG1 THR A 2 14.551 -2.947 -4.740 1.00 0.00 H new ATOM 0 HG21 THR A 2 14.449 -5.263 -5.878 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.422 -6.184 -4.754 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.994 -4.511 -5.182 1.00 0.00 H new ATOM 26 N TYR A 3 11.958 -5.981 -1.814 1.00 0.00 N ATOM 27 CA TYR A 3 11.291 -7.142 -1.234 1.00 0.00 C ATOM 28 C TYR A 3 10.071 -7.579 -2.040 1.00 0.00 C ATOM 29 O TYR A 3 9.453 -6.775 -2.734 1.00 0.00 O ATOM 30 CB TYR A 3 10.832 -6.804 0.181 1.00 0.00 C ATOM 31 CG TYR A 3 11.965 -6.443 1.113 1.00 0.00 C ATOM 32 CD1 TYR A 3 12.807 -7.441 1.636 1.00 0.00 C ATOM 33 CD2 TYR A 3 12.157 -5.104 1.479 1.00 0.00 C ATOM 34 CE1 TYR A 3 13.765 -7.106 2.610 1.00 0.00 C ATOM 35 CE2 TYR A 3 13.050 -4.786 2.512 1.00 0.00 C ATOM 36 CZ TYR A 3 13.831 -5.793 3.099 1.00 0.00 C ATOM 37 OH TYR A 3 14.502 -5.534 4.254 1.00 0.00 O ATOM 0 H TYR A 3 11.317 -5.224 -2.050 1.00 0.00 H new ATOM 0 HA TYR A 3 12.011 -7.960 -1.236 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.129 -5.972 0.137 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.292 -7.657 0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.718 -8.461 1.291 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.619 -4.320 0.967 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.447 -7.857 2.980 1.00 0.00 H new ATOM 0 HE2 TYR A 3 13.137 -3.766 2.856 1.00 0.00 H new ATOM 0 HH TYR A 3 13.871 -5.224 4.937 1.00 0.00 H new ATOM 47 N ASN A 4 9.731 -8.861 -1.894 1.00 0.00 N ATOM 48 CA ASN A 4 8.527 -9.526 -2.344 1.00 0.00 C ATOM 49 C ASN A 4 7.309 -8.893 -1.673 1.00 0.00 C ATOM 50 O ASN A 4 6.963 -9.253 -0.551 1.00 0.00 O ATOM 51 CB ASN A 4 8.675 -11.007 -1.944 1.00 0.00 C ATOM 52 CG ASN A 4 7.397 -11.829 -2.054 1.00 0.00 C ATOM 53 OD1 ASN A 4 7.212 -12.795 -1.321 1.00 0.00 O ATOM 54 ND2 ASN A 4 6.526 -11.463 -2.980 1.00 0.00 N ATOM 0 H ASN A 4 10.354 -9.510 -1.413 1.00 0.00 H new ATOM 0 HA ASN A 4 8.387 -9.433 -3.421 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.439 -11.464 -2.572 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.035 -11.057 -0.916 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.662 -11.991 -3.105 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.718 -10.653 -3.569 1.00 0.00 H new ATOM 61 N VAL A 5 6.649 -7.967 -2.364 1.00 0.00 N ATOM 62 CA VAL A 5 5.386 -7.418 -1.892 1.00 0.00 C ATOM 63 C VAL A 5 4.250 -8.024 -2.704 1.00 0.00 C ATOM 64 O VAL A 5 4.187 -7.813 -3.918 1.00 0.00 O ATOM 65 CB VAL A 5 5.371 -5.889 -1.973 1.00 0.00 C ATOM 66 CG1 VAL A 5 4.041 -5.355 -1.420 1.00 0.00 C ATOM 67 CG2 VAL A 5 6.508 -5.302 -1.128 1.00 0.00 C ATOM 0 H VAL A 5 6.970 -7.583 -3.253 1.00 0.00 H new ATOM 0 HA VAL A 5 5.257 -7.676 -0.841 1.00 0.00 H new ATOM 0 HB VAL A 5 5.495 -5.599 -3.016 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.033 -4.267 -1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.215 -5.756 -2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.929 -5.663 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.486 -4.214 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.383 -5.605 -0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.465 -5.669 -1.500 1.00 0.00 H new ATOM 77 N LYS A 6 3.334 -8.742 -2.046 1.00 0.00 N ATOM 78 CA LYS A 6 2.089 -9.125 -2.666 1.00 0.00 C ATOM 79 C LYS A 6 1.044 -8.032 -2.523 1.00 0.00 C ATOM 80 O LYS A 6 0.765 -7.575 -1.412 1.00 0.00 O ATOM 81 CB LYS A 6 1.586 -10.434 -2.090 1.00 0.00 C ATOM 82 CG LYS A 6 0.417 -10.894 -2.961 1.00 0.00 C ATOM 83 CD LYS A 6 -0.274 -12.086 -2.334 1.00 0.00 C ATOM 84 CE LYS A 6 0.679 -13.280 -2.288 1.00 0.00 C ATOM 85 NZ LYS A 6 -0.088 -14.536 -2.417 1.00 0.00 N ATOM 0 H LYS A 6 3.444 -9.063 -1.084 1.00 0.00 H new ATOM 0 HA LYS A 6 2.274 -9.268 -3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.379 -11.182 -2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.266 -10.302 -1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.295 -10.078 -3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.778 -11.157 -3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.605 -11.836 -1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.165 -12.343 -2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.410 -13.205 -3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.235 -13.277 -1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.565 -15.323 -2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.605 -14.719 -1.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.764 -14.451 -3.202 1.00 0.00 H new ATOM 99 N LEU A 7 0.422 -7.694 -3.660 1.00 0.00 N ATOM 100 CA LEU A 7 -0.745 -6.847 -3.726 1.00 0.00 C ATOM 101 C LEU A 7 -1.936 -7.695 -4.127 1.00 0.00 C ATOM 102 O LEU A 7 -2.026 -8.081 -5.287 1.00 0.00 O ATOM 103 CB LEU A 7 -0.489 -5.691 -4.699 1.00 0.00 C ATOM 104 CG LEU A 7 0.745 -4.854 -4.349 1.00 0.00 C ATOM 105 CD1 LEU A 7 0.858 -3.683 -5.317 1.00 0.00 C ATOM 106 CD2 LEU A 7 0.686 -4.330 -2.920 1.00 0.00 C ATOM 0 H LEU A 7 0.735 -8.018 -4.575 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.961 -6.401 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.371 -6.094 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.364 -5.042 -4.717 1.00 0.00 H new ATOM 0 HG LEU A 7 1.621 -5.498 -4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.736 -3.088 -5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.953 -4.060 -6.335 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.034 -3.062 -5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.579 -3.741 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.198 -3.704 -2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.634 -5.169 -2.227 1.00 0.00 H new ATOM 118 N ILE A 8 -2.824 -8.004 -3.175 1.00 0.00 N ATOM 119 CA ILE A 8 -4.056 -8.728 -3.426 1.00 0.00 C ATOM 120 C ILE A 8 -5.018 -7.708 -4.019 1.00 0.00 C ATOM 121 O ILE A 8 -5.746 -7.009 -3.315 1.00 0.00 O ATOM 122 CB ILE A 8 -4.547 -9.401 -2.132 1.00 0.00 C ATOM 123 CG1 ILE A 8 -3.541 -10.459 -1.650 1.00 0.00 C ATOM 124 CG2 ILE A 8 -5.932 -10.044 -2.308 1.00 0.00 C ATOM 125 CD1 ILE A 8 -3.617 -10.672 -0.140 1.00 0.00 C ATOM 0 H ILE A 8 -2.696 -7.750 -2.196 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.941 -9.553 -4.130 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.632 -8.617 -1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.735 -11.403 -2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.532 -10.151 -1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.240 -10.507 -1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.655 -9.279 -2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.884 -10.803 -3.089 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.890 -11.427 0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.397 -9.735 0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.619 -11.006 0.130 1.00 0.00 H new ATOM 137 N THR A 9 -4.941 -7.560 -5.336 1.00 0.00 N ATOM 138 CA THR A 9 -5.818 -6.699 -6.093 1.00 0.00 C ATOM 139 C THR A 9 -7.079 -7.480 -6.470 1.00 0.00 C ATOM 140 O THR A 9 -6.984 -8.700 -6.622 1.00 0.00 O ATOM 141 CB THR A 9 -5.066 -6.249 -7.339 1.00 0.00 C ATOM 142 OG1 THR A 9 -4.679 -7.390 -8.083 1.00 0.00 O ATOM 143 CG2 THR A 9 -3.762 -5.543 -6.960 1.00 0.00 C ATOM 0 H THR A 9 -4.253 -8.047 -5.910 1.00 0.00 H new ATOM 0 HA THR A 9 -6.116 -5.826 -5.512 1.00 0.00 H new ATOM 0 HB THR A 9 -5.722 -5.584 -7.900 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.340 -7.110 -8.959 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.241 -5.230 -7.865 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.986 -4.668 -6.349 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.129 -6.227 -6.395 1.00 0.00 H new ATOM 151 N PRO A 10 -8.224 -6.808 -6.681 1.00 0.00 N ATOM 152 CA PRO A 10 -9.494 -7.445 -6.997 1.00 0.00 C ATOM 153 C PRO A 10 -9.399 -8.361 -8.222 1.00 0.00 C ATOM 154 O PRO A 10 -10.042 -9.406 -8.276 1.00 0.00 O ATOM 155 CB PRO A 10 -10.501 -6.327 -7.221 1.00 0.00 C ATOM 156 CG PRO A 10 -9.855 -5.078 -6.660 1.00 0.00 C ATOM 157 CD PRO A 10 -8.370 -5.367 -6.650 1.00 0.00 C ATOM 0 HA PRO A 10 -9.801 -8.092 -6.176 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.727 -6.209 -8.281 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.443 -6.541 -6.717 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.082 -4.207 -7.275 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.221 -4.863 -5.656 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.881 -4.910 -7.511 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.901 -4.950 -5.759 1.00 0.00 H new ATOM 165 N ASP A 11 -8.572 -7.951 -9.188 1.00 0.00 N ATOM 166 CA ASP A 11 -8.185 -8.676 -10.390 1.00 0.00 C ATOM 167 C ASP A 11 -7.788 -10.109 -10.063 1.00 0.00 C ATOM 168 O ASP A 11 -8.089 -11.040 -10.806 1.00 0.00 O ATOM 169 CB ASP A 11 -6.981 -7.947 -10.995 1.00 0.00 C ATOM 170 CG ASP A 11 -7.411 -6.634 -11.624 1.00 0.00 C ATOM 171 OD1 ASP A 11 -7.670 -5.714 -10.818 1.00 0.00 O ATOM 172 OD2 ASP A 11 -7.496 -6.590 -12.870 1.00 0.00 O ATOM 0 H ASP A 11 -8.125 -7.035 -9.142 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.025 -8.711 -11.084 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.237 -7.759 -10.221 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.507 -8.578 -11.747 1.00 0.00 H new ATOM 177 N GLY A 12 -7.099 -10.250 -8.934 1.00 0.00 N ATOM 178 CA GLY A 12 -6.752 -11.508 -8.322 1.00 0.00 C ATOM 179 C GLY A 12 -5.243 -11.603 -8.134 1.00 0.00 C ATOM 180 O GLY A 12 -4.614 -12.492 -8.703 1.00 0.00 O ATOM 0 H GLY A 12 -6.757 -9.448 -8.405 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.253 -11.602 -7.358 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.101 -12.332 -8.944 1.00 0.00 H new ATOM 184 N GLU A 13 -4.696 -10.683 -7.326 1.00 0.00 N ATOM 185 CA GLU A 13 -3.290 -10.560 -6.957 1.00 0.00 C ATOM 186 C GLU A 13 -2.417 -10.160 -8.153 1.00 0.00 C ATOM 187 O GLU A 13 -2.811 -10.290 -9.309 1.00 0.00 O ATOM 188 CB GLU A 13 -2.773 -11.853 -6.318 1.00 0.00 C ATOM 189 CG GLU A 13 -3.380 -12.209 -4.955 1.00 0.00 C ATOM 190 CD GLU A 13 -3.142 -13.670 -4.563 1.00 0.00 C ATOM 191 OE1 GLU A 13 -1.995 -14.006 -4.179 1.00 0.00 O ATOM 192 OE2 GLU A 13 -4.124 -14.435 -4.613 1.00 0.00 O ATOM 0 H GLU A 13 -5.267 -9.961 -6.887 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.221 -9.760 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.962 -12.677 -7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.692 -11.774 -6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.953 -11.559 -4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.452 -12.014 -4.978 1.00 0.00 H new ATOM 199 N VAL A 14 -1.205 -9.680 -7.855 1.00 0.00 N ATOM 200 CA VAL A 14 -0.166 -9.438 -8.855 1.00 0.00 C ATOM 201 C VAL A 14 1.184 -9.938 -8.343 1.00 0.00 C ATOM 202 O VAL A 14 1.784 -10.827 -8.940 1.00 0.00 O ATOM 203 CB VAL A 14 -0.132 -7.958 -9.287 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.401 -7.602 -10.063 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.058 -6.971 -8.122 1.00 0.00 C ATOM 0 H VAL A 14 -0.918 -9.447 -6.904 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.403 -10.006 -9.754 1.00 0.00 H new ATOM 0 HB VAL A 14 0.772 -7.867 -9.889 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.363 -6.554 -10.361 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.473 -8.230 -10.951 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.273 -7.768 -9.430 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.038 -5.952 -8.509 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.930 -7.098 -7.481 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.847 -7.158 -7.544 1.00 0.00 H new ATOM 215 N GLU A 15 1.623 -9.374 -7.214 1.00 0.00 N ATOM 216 CA GLU A 15 2.917 -9.597 -6.584 1.00 0.00 C ATOM 217 C GLU A 15 4.070 -9.007 -7.394 1.00 0.00 C ATOM 218 O GLU A 15 4.092 -9.085 -8.620 1.00 0.00 O ATOM 219 CB GLU A 15 3.116 -11.083 -6.266 1.00 0.00 C ATOM 220 CG GLU A 15 4.081 -11.300 -5.100 1.00 0.00 C ATOM 221 CD GLU A 15 4.049 -12.740 -4.611 1.00 0.00 C ATOM 222 OE1 GLU A 15 3.809 -13.640 -5.443 1.00 0.00 O ATOM 223 OE2 GLU A 15 4.260 -12.902 -3.391 1.00 0.00 O ATOM 0 H GLU A 15 1.049 -8.714 -6.690 1.00 0.00 H new ATOM 0 HA GLU A 15 2.922 -9.058 -5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.153 -11.534 -6.027 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.497 -11.594 -7.150 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.093 -11.043 -5.411 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.820 -10.630 -4.281 1.00 0.00 H new ATOM 230 N PHE A 16 5.016 -8.366 -6.704 1.00 0.00 N ATOM 231 CA PHE A 16 6.112 -7.652 -7.346 1.00 0.00 C ATOM 232 C PHE A 16 7.245 -7.360 -6.368 1.00 0.00 C ATOM 233 O PHE A 16 7.137 -7.695 -5.185 1.00 0.00 O ATOM 234 CB PHE A 16 5.606 -6.430 -8.103 1.00 0.00 C ATOM 235 CG PHE A 16 5.379 -5.221 -7.246 1.00 0.00 C ATOM 236 CD1 PHE A 16 4.419 -5.261 -6.225 1.00 0.00 C ATOM 237 CD2 PHE A 16 6.226 -4.111 -7.370 1.00 0.00 C ATOM 238 CE1 PHE A 16 4.304 -4.185 -5.343 1.00 0.00 C ATOM 239 CE2 PHE A 16 6.049 -3.003 -6.540 1.00 0.00 C ATOM 240 CZ PHE A 16 5.053 -3.015 -5.552 1.00 0.00 C ATOM 0 H PHE A 16 5.040 -8.330 -5.685 1.00 0.00 H new ATOM 0 HA PHE A 16 6.553 -8.302 -8.102 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.324 -6.178 -8.883 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.672 -6.688 -8.601 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.772 -6.120 -6.121 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.015 -4.113 -8.107 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.637 -4.252 -4.497 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.680 -2.135 -6.659 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.864 -2.133 -4.958 1.00 0.00 H new ATOM 250 N LYS A 17 8.356 -6.804 -6.872 1.00 0.00 N ATOM 251 CA LYS A 17 9.469 -6.406 -6.023 1.00 0.00 C ATOM 252 C LYS A 17 9.369 -4.912 -5.768 1.00 0.00 C ATOM 253 O LYS A 17 9.364 -4.124 -6.708 1.00 0.00 O ATOM 254 CB LYS A 17 10.823 -6.798 -6.633 1.00 0.00 C ATOM 255 CG LYS A 17 11.482 -7.950 -5.854 1.00 0.00 C ATOM 256 CD LYS A 17 10.633 -9.226 -5.823 1.00 0.00 C ATOM 257 CE LYS A 17 10.925 -10.189 -6.981 1.00 0.00 C ATOM 258 NZ LYS A 17 10.689 -9.568 -8.301 1.00 0.00 N ATOM 0 H LYS A 17 8.500 -6.623 -7.865 1.00 0.00 H new ATOM 0 HA LYS A 17 9.409 -6.938 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.682 -7.094 -7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.486 -5.933 -6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.449 -8.176 -6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.674 -7.625 -4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.805 -9.744 -4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.579 -8.951 -5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.960 -10.524 -6.920 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.297 -11.074 -6.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.650 -10.308 -9.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.788 -9.050 -8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.464 -8.909 -8.518 1.00 0.00 H new ATOM 272 N CYS A 18 9.306 -4.521 -4.497 1.00 0.00 N ATOM 273 CA CYS A 18 9.214 -3.123 -4.117 1.00 0.00 C ATOM 274 C CYS A 18 10.397 -2.750 -3.242 1.00 0.00 C ATOM 275 O CYS A 18 10.682 -3.443 -2.263 1.00 0.00 O ATOM 276 CB CYS A 18 7.898 -2.857 -3.417 1.00 0.00 C ATOM 277 SG CYS A 18 7.706 -1.058 -3.377 1.00 0.00 S ATOM 0 H CYS A 18 9.318 -5.166 -3.707 1.00 0.00 H new ATOM 0 HA CYS A 18 9.244 -2.500 -5.011 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.071 -3.325 -3.951 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.902 -3.271 -2.409 1.00 0.00 H new ATOM 0 HG CYS A 18 7.081 -0.664 -4.447 1.00 0.00 H new ATOM 283 N ASP A 19 11.113 -1.695 -3.628 1.00 0.00 N ATOM 284 CA ASP A 19 12.244 -1.177 -2.885 1.00 0.00 C ATOM 285 C ASP A 19 11.722 -0.584 -1.590 1.00 0.00 C ATOM 286 O ASP A 19 10.788 0.205 -1.610 1.00 0.00 O ATOM 287 CB ASP A 19 13.017 -0.136 -3.707 1.00 0.00 C ATOM 288 CG ASP A 19 13.638 -0.675 -4.986 1.00 0.00 C ATOM 289 OD1 ASP A 19 13.373 -1.860 -5.303 1.00 0.00 O ATOM 290 OD2 ASP A 19 14.394 0.090 -5.614 1.00 0.00 O ATOM 0 H ASP A 19 10.914 -1.173 -4.481 1.00 0.00 H new ATOM 0 HA ASP A 19 12.946 -1.981 -2.665 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.342 0.681 -3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.806 0.286 -3.085 1.00 0.00 H new ATOM 295 N ASP A 20 12.368 -0.901 -0.468 1.00 0.00 N ATOM 296 CA ASP A 20 12.133 -0.170 0.785 1.00 0.00 C ATOM 297 C ASP A 20 12.297 1.325 0.535 1.00 0.00 C ATOM 298 O ASP A 20 11.650 2.171 1.135 1.00 0.00 O ATOM 299 CB ASP A 20 13.104 -0.617 1.879 1.00 0.00 C ATOM 300 CG ASP A 20 12.802 0.039 3.220 1.00 0.00 C ATOM 301 OD1 ASP A 20 11.607 0.121 3.574 1.00 0.00 O ATOM 302 OD2 ASP A 20 13.793 0.409 3.885 1.00 0.00 O ATOM 0 H ASP A 20 13.054 -1.653 -0.397 1.00 0.00 H new ATOM 0 HA ASP A 20 11.119 -0.384 1.124 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.053 -1.700 1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.123 -0.374 1.579 1.00 0.00 H new ATOM 307 N ASP A 21 13.174 1.635 -0.414 1.00 0.00 N ATOM 308 CA ASP A 21 13.529 2.971 -0.801 1.00 0.00 C ATOM 309 C ASP A 21 12.380 3.687 -1.537 1.00 0.00 C ATOM 310 O ASP A 21 12.469 4.897 -1.742 1.00 0.00 O ATOM 311 CB ASP A 21 14.785 2.895 -1.689 1.00 0.00 C ATOM 312 CG ASP A 21 15.810 1.837 -1.266 1.00 0.00 C ATOM 313 OD1 ASP A 21 15.521 0.627 -1.469 1.00 0.00 O ATOM 314 OD2 ASP A 21 16.862 2.213 -0.717 1.00 0.00 O ATOM 0 H ASP A 21 13.671 0.923 -0.949 1.00 0.00 H new ATOM 0 HA ASP A 21 13.731 3.559 0.094 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.476 2.691 -2.714 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.271 3.871 -1.691 1.00 0.00 H new ATOM 319 N VAL A 22 11.340 2.965 -1.990 1.00 0.00 N ATOM 320 CA VAL A 22 10.320 3.473 -2.905 1.00 0.00 C ATOM 321 C VAL A 22 8.907 3.132 -2.422 1.00 0.00 C ATOM 322 O VAL A 22 8.712 2.234 -1.608 1.00 0.00 O ATOM 323 CB VAL A 22 10.598 2.934 -4.325 1.00 0.00 C ATOM 324 CG1 VAL A 22 9.958 1.571 -4.621 1.00 0.00 C ATOM 325 CG2 VAL A 22 10.093 3.913 -5.384 1.00 0.00 C ATOM 0 H VAL A 22 11.188 1.993 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 22 10.373 4.561 -2.931 1.00 0.00 H new ATOM 0 HB VAL A 22 11.681 2.815 -4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.203 1.267 -5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.340 0.830 -3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.876 1.647 -4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.299 3.513 -6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.019 4.055 -5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.600 4.870 -5.266 1.00 0.00 H new ATOM 335 N TYR A 23 7.907 3.855 -2.932 1.00 0.00 N ATOM 336 CA TYR A 23 6.522 3.614 -2.572 1.00 0.00 C ATOM 337 C TYR A 23 5.975 2.350 -3.231 1.00 0.00 C ATOM 338 O TYR A 23 6.308 2.045 -4.379 1.00 0.00 O ATOM 339 CB TYR A 23 5.654 4.816 -2.941 1.00 0.00 C ATOM 340 CG TYR A 23 6.078 6.121 -2.298 1.00 0.00 C ATOM 341 CD1 TYR A 23 6.206 6.210 -0.899 1.00 0.00 C ATOM 342 CD2 TYR A 23 6.261 7.269 -3.092 1.00 0.00 C ATOM 343 CE1 TYR A 23 6.442 7.454 -0.294 1.00 0.00 C ATOM 344 CE2 TYR A 23 6.576 8.498 -2.487 1.00 0.00 C ATOM 345 CZ TYR A 23 6.663 8.588 -1.089 1.00 0.00 C ATOM 346 OH TYR A 23 6.808 9.806 -0.498 1.00 0.00 O ATOM 0 H TYR A 23 8.040 4.615 -3.599 1.00 0.00 H new ATOM 0 HA TYR A 23 6.489 3.468 -1.492 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.667 4.938 -4.024 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.623 4.604 -2.657 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.123 5.321 -0.291 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.159 7.205 -4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.453 7.538 0.783 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.751 9.372 -3.097 1.00 0.00 H new ATOM 0 HH TYR A 23 7.059 9.686 0.442 1.00 0.00 H new ATOM 356 N VAL A 24 5.067 1.655 -2.538 1.00 0.00 N ATOM 357 CA VAL A 24 4.351 0.500 -3.077 1.00 0.00 C ATOM 358 C VAL A 24 3.251 0.958 -4.043 1.00 0.00 C ATOM 359 O VAL A 24 2.061 0.729 -3.836 1.00 0.00 O ATOM 360 CB VAL A 24 3.756 -0.340 -1.940 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.499 -1.758 -2.441 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.672 -0.477 -0.729 1.00 0.00 C ATOM 0 H VAL A 24 4.808 1.883 -1.578 1.00 0.00 H new ATOM 0 HA VAL A 24 5.057 -0.121 -3.628 1.00 0.00 H new ATOM 0 HB VAL A 24 2.849 0.182 -1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.076 -2.358 -1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.799 -1.728 -3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.438 -2.203 -2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.181 -1.084 0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.604 -0.956 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.887 0.511 -0.322 1.00 0.00 H new ATOM 372 N LEU A 25 3.682 1.596 -5.120 1.00 0.00 N ATOM 373 CA LEU A 25 2.854 2.153 -6.171 1.00 0.00 C ATOM 374 C LEU A 25 3.794 2.459 -7.322 1.00 0.00 C ATOM 375 O LEU A 25 3.688 1.862 -8.386 1.00 0.00 O ATOM 376 CB LEU A 25 2.132 3.409 -5.656 1.00 0.00 C ATOM 377 CG LEU A 25 1.617 4.340 -6.766 1.00 0.00 C ATOM 378 CD1 LEU A 25 0.544 3.639 -7.602 1.00 0.00 C ATOM 379 CD2 LEU A 25 1.045 5.611 -6.135 1.00 0.00 C ATOM 0 H LEU A 25 4.676 1.746 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 25 2.073 1.466 -6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.290 3.102 -5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.813 3.969 -5.015 1.00 0.00 H new ATOM 0 HG LEU A 25 2.446 4.601 -7.424 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.192 4.314 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.966 2.744 -8.060 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.292 3.359 -6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.679 6.274 -6.919 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.223 5.348 -5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.825 6.118 -5.567 1.00 0.00 H new ATOM 391 N ASP A 26 4.758 3.339 -7.050 1.00 0.00 N ATOM 392 CA ASP A 26 5.675 3.887 -8.041 1.00 0.00 C ATOM 393 C ASP A 26 6.285 2.750 -8.870 1.00 0.00 C ATOM 394 O ASP A 26 6.089 2.628 -10.078 1.00 0.00 O ATOM 395 CB ASP A 26 6.743 4.707 -7.298 1.00 0.00 C ATOM 396 CG ASP A 26 7.260 5.887 -8.106 1.00 0.00 C ATOM 397 OD1 ASP A 26 7.518 5.689 -9.310 1.00 0.00 O ATOM 398 OD2 ASP A 26 7.399 6.968 -7.490 1.00 0.00 O ATOM 0 H ASP A 26 4.924 3.697 -6.110 1.00 0.00 H new ATOM 0 HA ASP A 26 5.156 4.543 -8.740 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.324 5.072 -6.360 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.579 4.056 -7.042 1.00 0.00 H new ATOM 403 N GLN A 27 6.948 1.832 -8.163 1.00 0.00 N ATOM 404 CA GLN A 27 7.597 0.687 -8.760 1.00 0.00 C ATOM 405 C GLN A 27 6.585 -0.385 -9.193 1.00 0.00 C ATOM 406 O GLN A 27 6.892 -1.220 -10.035 1.00 0.00 O ATOM 407 CB GLN A 27 8.635 0.186 -7.753 1.00 0.00 C ATOM 408 CG GLN A 27 9.452 -0.986 -8.292 1.00 0.00 C ATOM 409 CD GLN A 27 10.853 -1.001 -7.684 1.00 0.00 C ATOM 410 OE1 GLN A 27 11.643 -0.101 -7.944 1.00 0.00 O ATOM 411 NE2 GLN A 27 11.164 -1.992 -6.857 1.00 0.00 N ATOM 0 H GLN A 27 7.044 1.873 -7.148 1.00 0.00 H new ATOM 0 HA GLN A 27 8.101 0.960 -9.687 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.307 1.003 -7.491 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.130 -0.118 -6.836 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.943 -1.923 -8.066 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.523 -0.916 -9.377 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.483 -2.726 -6.662 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.084 -2.019 -6.417 1.00 0.00 H new ATOM 420 N ALA A 28 5.371 -0.367 -8.641 1.00 0.00 N ATOM 421 CA ALA A 28 4.310 -1.274 -9.055 1.00 0.00 C ATOM 422 C ALA A 28 3.924 -0.946 -10.496 1.00 0.00 C ATOM 423 O ALA A 28 3.927 -1.824 -11.361 1.00 0.00 O ATOM 424 CB ALA A 28 3.123 -1.140 -8.096 1.00 0.00 C ATOM 0 H ALA A 28 5.100 0.276 -7.897 1.00 0.00 H new ATOM 0 HA ALA A 28 4.645 -2.311 -9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.328 -1.818 -8.405 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.442 -1.391 -7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.753 -0.115 -8.116 1.00 0.00 H new ATOM 430 N GLU A 29 3.631 0.330 -10.759 1.00 0.00 N ATOM 431 CA GLU A 29 3.314 0.815 -12.090 1.00 0.00 C ATOM 432 C GLU A 29 4.432 0.434 -13.066 1.00 0.00 C ATOM 433 O GLU A 29 4.138 -0.024 -14.167 1.00 0.00 O ATOM 434 CB GLU A 29 3.053 2.328 -12.061 1.00 0.00 C ATOM 435 CG GLU A 29 1.772 2.656 -11.281 1.00 0.00 C ATOM 436 CD GLU A 29 1.494 4.153 -11.267 1.00 0.00 C ATOM 437 OE1 GLU A 29 0.846 4.617 -12.230 1.00 0.00 O ATOM 438 OE2 GLU A 29 1.939 4.807 -10.300 1.00 0.00 O ATOM 0 H GLU A 29 3.609 1.056 -10.043 1.00 0.00 H new ATOM 0 HA GLU A 29 2.398 0.341 -12.442 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.901 2.837 -11.603 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.968 2.704 -13.080 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.928 2.132 -11.730 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.865 2.293 -10.258 1.00 0.00 H new ATOM 445 N GLU A 30 5.701 0.543 -12.648 1.00 0.00 N ATOM 446 CA GLU A 30 6.832 0.070 -13.445 1.00 0.00 C ATOM 447 C GLU A 30 6.693 -1.392 -13.875 1.00 0.00 C ATOM 448 O GLU A 30 7.031 -1.737 -15.007 1.00 0.00 O ATOM 449 CB GLU A 30 8.175 0.348 -12.755 1.00 0.00 C ATOM 450 CG GLU A 30 8.472 1.849 -12.585 1.00 0.00 C ATOM 451 CD GLU A 30 9.128 2.469 -13.819 1.00 0.00 C ATOM 452 OE1 GLU A 30 8.587 2.269 -14.928 1.00 0.00 O ATOM 453 OE2 GLU A 30 10.180 3.119 -13.636 1.00 0.00 O ATOM 0 H GLU A 30 5.967 0.958 -11.755 1.00 0.00 H new ATOM 0 HA GLU A 30 6.818 0.652 -14.366 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.178 -0.129 -11.775 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.976 -0.110 -13.335 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.542 2.376 -12.370 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.125 1.990 -11.723 1.00 0.00 H new ATOM 460 N GLU A 31 6.190 -2.261 -12.999 1.00 0.00 N ATOM 461 CA GLU A 31 6.005 -3.670 -13.344 1.00 0.00 C ATOM 462 C GLU A 31 4.744 -3.833 -14.195 1.00 0.00 C ATOM 463 O GLU A 31 4.614 -4.789 -14.959 1.00 0.00 O ATOM 464 CB GLU A 31 5.949 -4.526 -12.073 1.00 0.00 C ATOM 465 CG GLU A 31 7.116 -4.167 -11.139 1.00 0.00 C ATOM 466 CD GLU A 31 8.029 -5.356 -10.781 1.00 0.00 C ATOM 467 OE1 GLU A 31 8.343 -6.131 -11.709 1.00 0.00 O ATOM 468 OE2 GLU A 31 8.386 -5.514 -9.586 1.00 0.00 O ATOM 0 H GLU A 31 5.905 -2.016 -12.051 1.00 0.00 H new ATOM 0 HA GLU A 31 6.855 -4.016 -13.933 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.001 -4.366 -11.560 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.996 -5.583 -12.335 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.718 -3.390 -11.611 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.713 -3.743 -10.219 1.00 0.00 H new ATOM 475 N GLY A 32 3.819 -2.886 -14.044 1.00 0.00 N ATOM 476 CA GLY A 32 2.581 -2.776 -14.799 1.00 0.00 C ATOM 477 C GLY A 32 1.364 -2.816 -13.880 1.00 0.00 C ATOM 478 O GLY A 32 0.240 -2.947 -14.361 1.00 0.00 O ATOM 0 H GLY A 32 3.922 -2.140 -13.356 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.580 -1.845 -15.366 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.520 -3.590 -15.522 1.00 0.00 H new ATOM 482 N ILE A 33 1.567 -2.733 -12.563 1.00 0.00 N ATOM 483 CA ILE A 33 0.467 -2.842 -11.615 1.00 0.00 C ATOM 484 C ILE A 33 -0.323 -1.538 -11.541 1.00 0.00 C ATOM 485 O ILE A 33 0.243 -0.482 -11.278 1.00 0.00 O ATOM 486 CB ILE A 33 0.996 -3.218 -10.227 1.00 0.00 C ATOM 487 CG1 ILE A 33 1.782 -4.530 -10.327 1.00 0.00 C ATOM 488 CG2 ILE A 33 -0.180 -3.321 -9.242 1.00 0.00 C ATOM 489 CD1 ILE A 33 2.476 -4.961 -9.040 1.00 0.00 C ATOM 0 H ILE A 33 2.482 -2.591 -12.134 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.203 -3.628 -11.964 1.00 0.00 H new ATOM 0 HB ILE A 33 1.673 -2.450 -9.853 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.101 -5.322 -10.638 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.532 -4.428 -11.111 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.195 -3.588 -8.254 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.694 -2.361 -9.187 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.876 -4.086 -9.585 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.006 -5.899 -9.209 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.186 -4.193 -8.735 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.733 -5.100 -8.255 1.00 0.00 H new ATOM 501 N ASP A 34 -1.647 -1.641 -11.673 1.00 0.00 N ATOM 502 CA ASP A 34 -2.575 -0.571 -11.337 1.00 0.00 C ATOM 503 C ASP A 34 -2.928 -0.678 -9.851 1.00 0.00 C ATOM 504 O ASP A 34 -3.341 -1.744 -9.390 1.00 0.00 O ATOM 505 CB ASP A 34 -3.819 -0.699 -12.220 1.00 0.00 C ATOM 506 CG ASP A 34 -4.809 0.442 -11.999 1.00 0.00 C ATOM 507 OD1 ASP A 34 -5.200 0.656 -10.831 1.00 0.00 O ATOM 508 OD2 ASP A 34 -5.169 1.079 -13.013 1.00 0.00 O ATOM 0 H ASP A 34 -2.106 -2.483 -12.021 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.128 0.407 -11.516 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.518 -0.717 -13.267 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.312 -1.649 -12.014 1.00 0.00 H new ATOM 513 N ILE A 35 -2.736 0.403 -9.090 1.00 0.00 N ATOM 514 CA ILE A 35 -3.288 0.606 -7.774 1.00 0.00 C ATOM 515 C ILE A 35 -4.074 1.923 -7.911 1.00 0.00 C ATOM 516 O ILE A 35 -3.649 2.786 -8.681 1.00 0.00 O ATOM 517 CB ILE A 35 -2.117 0.751 -6.803 1.00 0.00 C ATOM 518 CG1 ILE A 35 -1.167 -0.458 -6.864 1.00 0.00 C ATOM 519 CG2 ILE A 35 -2.525 1.125 -5.387 1.00 0.00 C ATOM 520 CD1 ILE A 35 -0.122 -0.433 -5.752 1.00 0.00 C ATOM 0 H ILE A 35 -2.164 1.188 -9.401 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.924 -0.200 -7.409 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.550 1.614 -7.152 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.748 -1.377 -6.792 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.664 -0.473 -7.831 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.636 1.208 -4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.050 2.080 -5.400 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.182 0.355 -4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.523 -1.307 -5.839 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.479 0.472 -5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.621 -0.446 -4.783 1.00 0.00 H new ATOM 532 N PRO A 36 -5.181 2.117 -7.177 1.00 0.00 N ATOM 533 CA PRO A 36 -6.092 3.234 -7.356 1.00 0.00 C ATOM 534 C PRO A 36 -5.524 4.509 -6.721 1.00 0.00 C ATOM 535 O PRO A 36 -6.082 5.041 -5.764 1.00 0.00 O ATOM 536 CB PRO A 36 -7.425 2.769 -6.753 1.00 0.00 C ATOM 537 CG PRO A 36 -7.061 1.660 -5.770 1.00 0.00 C ATOM 538 CD PRO A 36 -5.721 1.138 -6.269 1.00 0.00 C ATOM 0 HA PRO A 36 -6.237 3.504 -8.402 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.935 3.589 -6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.099 2.402 -7.527 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.985 2.041 -4.751 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.816 0.873 -5.761 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.040 0.974 -5.434 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.847 0.179 -6.771 1.00 0.00 H new ATOM 546 N TYR A 37 -4.400 4.986 -7.261 1.00 0.00 N ATOM 547 CA TYR A 37 -3.550 5.986 -6.628 1.00 0.00 C ATOM 548 C TYR A 37 -4.194 7.371 -6.548 1.00 0.00 C ATOM 549 O TYR A 37 -3.896 8.129 -5.638 1.00 0.00 O ATOM 550 CB TYR A 37 -2.198 6.047 -7.340 1.00 0.00 C ATOM 551 CG TYR A 37 -2.231 6.692 -8.711 1.00 0.00 C ATOM 552 CD1 TYR A 37 -2.099 8.087 -8.819 1.00 0.00 C ATOM 553 CD2 TYR A 37 -2.521 5.926 -9.855 1.00 0.00 C ATOM 554 CE1 TYR A 37 -2.362 8.729 -10.039 1.00 0.00 C ATOM 555 CE2 TYR A 37 -2.767 6.567 -11.081 1.00 0.00 C ATOM 556 CZ TYR A 37 -2.703 7.968 -11.169 1.00 0.00 C ATOM 557 OH TYR A 37 -3.020 8.592 -12.339 1.00 0.00 O ATOM 0 H TYR A 37 -4.052 4.679 -8.169 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.403 5.670 -5.595 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.497 6.597 -6.712 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.810 5.033 -7.440 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.794 8.667 -7.960 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.554 4.848 -9.791 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.302 9.805 -10.109 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.006 5.982 -11.957 1.00 0.00 H new ATOM 0 HH TYR A 37 -3.230 7.921 -13.021 1.00 0.00 H new ATOM 567 N SER A 38 -5.050 7.729 -7.511 1.00 0.00 N ATOM 568 CA SER A 38 -5.821 8.969 -7.488 1.00 0.00 C ATOM 569 C SER A 38 -4.942 10.234 -7.398 1.00 0.00 C ATOM 570 O SER A 38 -4.668 10.877 -8.413 1.00 0.00 O ATOM 571 CB SER A 38 -6.867 8.880 -6.359 1.00 0.00 C ATOM 572 OG SER A 38 -7.605 10.079 -6.228 1.00 0.00 O ATOM 0 H SER A 38 -5.226 7.157 -8.337 1.00 0.00 H new ATOM 0 HA SER A 38 -6.337 9.076 -8.442 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.549 8.054 -6.560 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.366 8.657 -5.417 1.00 0.00 H new ATOM 0 HG SER A 38 -7.237 10.611 -5.492 1.00 0.00 H new ATOM 578 N CYS A 39 -4.561 10.604 -6.177 1.00 0.00 N ATOM 579 CA CYS A 39 -3.825 11.789 -5.761 1.00 0.00 C ATOM 580 C CYS A 39 -2.338 11.414 -5.607 1.00 0.00 C ATOM 581 O CYS A 39 -1.908 10.433 -6.212 1.00 0.00 O ATOM 582 CB CYS A 39 -4.527 12.366 -4.536 1.00 0.00 C ATOM 583 SG CYS A 39 -5.494 11.253 -3.444 1.00 0.00 S ATOM 0 H CYS A 39 -4.785 10.017 -5.373 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.824 12.596 -6.494 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.768 12.849 -3.921 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.201 13.149 -4.884 1.00 0.00 H new ATOM 588 N ARG A 40 -1.523 12.184 -4.863 1.00 0.00 N ATOM 589 CA ARG A 40 -0.163 11.760 -4.495 1.00 0.00 C ATOM 590 C ARG A 40 0.454 12.642 -3.394 1.00 0.00 C ATOM 591 O ARG A 40 1.501 13.259 -3.624 1.00 0.00 O ATOM 592 CB ARG A 40 0.768 11.648 -5.721 1.00 0.00 C ATOM 593 CG ARG A 40 1.867 10.602 -5.443 1.00 0.00 C ATOM 594 CD ARG A 40 3.247 11.104 -5.865 1.00 0.00 C ATOM 595 NE ARG A 40 3.608 12.268 -5.047 1.00 0.00 N ATOM 596 CZ ARG A 40 4.792 12.885 -5.036 1.00 0.00 C ATOM 597 NH1 ARG A 40 5.770 12.457 -5.842 1.00 0.00 N ATOM 598 NH2 ARG A 40 4.977 13.928 -4.220 1.00 0.00 N ATOM 0 H ARG A 40 -1.784 13.103 -4.506 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.264 10.759 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.193 11.361 -6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.220 12.616 -5.937 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.878 10.359 -4.380 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.636 9.681 -5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.988 10.314 -5.742 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.242 11.374 -6.921 1.00 0.00 H new ATOM 0 HE ARG A 40 2.887 12.640 -4.429 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.609 11.663 -6.461 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.676 12.925 -5.837 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.218 14.243 -3.616 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.877 14.408 -4.202 1.00 0.00 H new ATOM 612 N ALA A 41 -0.162 12.725 -2.207 1.00 0.00 N ATOM 613 CA ALA A 41 0.311 13.627 -1.150 1.00 0.00 C ATOM 614 C ALA A 41 0.207 13.078 0.282 1.00 0.00 C ATOM 615 O ALA A 41 0.435 13.834 1.226 1.00 0.00 O ATOM 616 CB ALA A 41 -0.424 14.967 -1.280 1.00 0.00 C ATOM 0 H ALA A 41 -0.987 12.180 -1.956 1.00 0.00 H new ATOM 0 HA ALA A 41 1.383 13.748 -1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.082 15.647 -0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.217 15.402 -2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.497 14.805 -1.175 1.00 0.00 H new ATOM 622 N GLY A 42 -0.097 11.792 0.472 1.00 0.00 N ATOM 623 CA GLY A 42 -0.258 11.177 1.789 1.00 0.00 C ATOM 624 C GLY A 42 -1.500 11.702 2.520 1.00 0.00 C ATOM 625 O GLY A 42 -2.448 10.949 2.739 1.00 0.00 O ATOM 0 H GLY A 42 -0.240 11.139 -0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.333 10.095 1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.628 11.374 2.392 1.00 0.00 H new ATOM 629 N SER A 43 -1.492 12.973 2.941 1.00 0.00 N ATOM 630 CA SER A 43 -2.575 13.595 3.690 1.00 0.00 C ATOM 631 C SER A 43 -3.746 13.909 2.761 1.00 0.00 C ATOM 632 O SER A 43 -4.061 15.078 2.534 1.00 0.00 O ATOM 633 CB SER A 43 -2.053 14.853 4.392 1.00 0.00 C ATOM 634 OG SER A 43 -1.320 15.642 3.477 1.00 0.00 O ATOM 0 H SER A 43 -0.712 13.606 2.763 1.00 0.00 H new ATOM 0 HA SER A 43 -2.940 12.907 4.453 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.887 15.428 4.796 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.420 14.574 5.235 1.00 0.00 H new ATOM 0 HG SER A 43 -1.890 15.872 2.714 1.00 0.00 H new ATOM 640 N CYS A 44 -4.366 12.861 2.228 1.00 0.00 N ATOM 641 CA CYS A 44 -5.370 12.899 1.189 1.00 0.00 C ATOM 642 C CYS A 44 -6.151 11.587 1.305 1.00 0.00 C ATOM 643 O CYS A 44 -5.613 10.596 1.789 1.00 0.00 O ATOM 644 CB CYS A 44 -4.689 13.132 -0.144 1.00 0.00 C ATOM 645 SG CYS A 44 -3.162 12.201 -0.505 1.00 0.00 S ATOM 0 H CYS A 44 -4.163 11.909 2.533 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.082 13.718 1.285 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -5.410 12.907 -0.930 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -4.457 14.194 -0.218 1.00 0.00 H new ATOM 650 N SER A 45 -7.450 11.611 0.994 1.00 0.00 N ATOM 651 CA SER A 45 -8.366 10.528 1.335 1.00 0.00 C ATOM 652 C SER A 45 -8.666 9.642 0.128 1.00 0.00 C ATOM 653 O SER A 45 -9.705 9.833 -0.501 1.00 0.00 O ATOM 654 CB SER A 45 -9.676 11.105 1.890 1.00 0.00 C ATOM 655 OG SER A 45 -9.431 11.919 3.022 1.00 0.00 O ATOM 0 H SER A 45 -7.893 12.384 0.498 1.00 0.00 H new ATOM 0 HA SER A 45 -7.883 9.912 2.094 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.176 11.690 1.118 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.350 10.292 2.161 1.00 0.00 H new ATOM 0 HG SER A 45 -10.279 12.277 3.357 1.00 0.00 H new ATOM 661 N SER A 46 -7.825 8.646 -0.164 1.00 0.00 N ATOM 662 CA SER A 46 -8.178 7.605 -1.122 1.00 0.00 C ATOM 663 C SER A 46 -7.316 6.347 -0.936 1.00 0.00 C ATOM 664 O SER A 46 -6.944 6.024 0.192 1.00 0.00 O ATOM 665 CB SER A 46 -8.179 8.160 -2.559 1.00 0.00 C ATOM 666 OG SER A 46 -6.888 8.552 -2.967 1.00 0.00 O ATOM 0 H SER A 46 -6.899 8.542 0.250 1.00 0.00 H new ATOM 0 HA SER A 46 -9.200 7.280 -0.925 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.562 7.402 -3.242 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.855 9.013 -2.619 1.00 0.00 H new ATOM 0 HG SER A 46 -6.838 9.530 -2.999 1.00 0.00 H new ATOM 672 N CYS A 47 -7.002 5.655 -2.042 1.00 0.00 N ATOM 673 CA CYS A 47 -5.980 4.625 -2.143 1.00 0.00 C ATOM 674 C CYS A 47 -6.221 3.501 -1.132 1.00 0.00 C ATOM 675 O CYS A 47 -7.226 2.791 -1.223 1.00 0.00 O ATOM 676 CB CYS A 47 -4.627 5.286 -2.022 1.00 0.00 C ATOM 677 SG CYS A 47 -4.324 6.603 -3.205 1.00 0.00 S ATOM 0 H CYS A 47 -7.482 5.813 -2.928 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.023 4.132 -3.114 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.525 5.691 -1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.855 4.526 -2.140 1.00 0.00 H new ATOM 682 N ALA A 48 -5.293 3.363 -0.181 1.00 0.00 N ATOM 683 CA ALA A 48 -5.331 2.486 0.968 1.00 0.00 C ATOM 684 C ALA A 48 -5.341 1.006 0.605 1.00 0.00 C ATOM 685 O ALA A 48 -5.861 0.574 -0.429 1.00 0.00 O ATOM 686 CB ALA A 48 -6.473 2.875 1.903 1.00 0.00 C ATOM 0 H ALA A 48 -4.432 3.910 -0.207 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.395 2.627 1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.485 2.204 2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.330 3.900 2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.421 2.800 1.370 1.00 0.00 H new ATOM 692 N GLY A 49 -4.758 0.211 1.498 1.00 0.00 N ATOM 693 CA GLY A 49 -4.751 -1.224 1.371 1.00 0.00 C ATOM 694 C GLY A 49 -4.745 -1.890 2.733 1.00 0.00 C ATOM 695 O GLY A 49 -4.370 -1.262 3.720 1.00 0.00 O ATOM 0 H GLY A 49 -4.278 0.556 2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.627 -1.547 0.808 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.874 -1.538 0.805 1.00 0.00 H new ATOM 699 N LYS A 50 -5.180 -3.150 2.780 1.00 0.00 N ATOM 700 CA LYS A 50 -5.316 -3.937 3.984 1.00 0.00 C ATOM 701 C LYS A 50 -4.068 -4.789 4.181 1.00 0.00 C ATOM 702 O LYS A 50 -3.842 -5.716 3.413 1.00 0.00 O ATOM 703 CB LYS A 50 -6.586 -4.787 3.870 1.00 0.00 C ATOM 704 CG LYS A 50 -7.255 -4.985 5.233 1.00 0.00 C ATOM 705 CD LYS A 50 -8.761 -5.150 5.026 1.00 0.00 C ATOM 706 CE LYS A 50 -9.512 -4.862 6.332 1.00 0.00 C ATOM 707 NZ LYS A 50 -10.951 -4.633 6.063 1.00 0.00 N ATOM 0 H LYS A 50 -5.455 -3.661 1.941 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.411 -3.296 4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.286 -4.306 3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.338 -5.758 3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.844 -5.864 5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.055 -4.130 5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.104 -4.472 4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.980 -6.163 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.393 -5.700 7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.083 -3.987 6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.232 -3.707 6.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.120 -4.652 5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.513 -5.379 6.520 1.00 0.00 H new ATOM 721 N VAL A 51 -3.253 -4.469 5.182 1.00 0.00 N ATOM 722 CA VAL A 51 -2.089 -5.243 5.572 1.00 0.00 C ATOM 723 C VAL A 51 -2.560 -6.637 5.992 1.00 0.00 C ATOM 724 O VAL A 51 -3.161 -6.797 7.052 1.00 0.00 O ATOM 725 CB VAL A 51 -1.365 -4.524 6.735 1.00 0.00 C ATOM 726 CG1 VAL A 51 -0.062 -5.230 7.117 1.00 0.00 C ATOM 727 CG2 VAL A 51 -1.016 -3.068 6.410 1.00 0.00 C ATOM 0 H VAL A 51 -3.392 -3.639 5.758 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.387 -5.338 4.744 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.073 -4.552 7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.415 -4.694 7.937 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.280 -6.251 7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.607 -5.248 6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.510 -2.616 7.263 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.360 -3.037 5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.930 -2.514 6.195 1.00 0.00 H new ATOM 737 N VAL A 52 -2.296 -7.644 5.161 1.00 0.00 N ATOM 738 CA VAL A 52 -2.624 -9.029 5.467 1.00 0.00 C ATOM 739 C VAL A 52 -1.555 -9.606 6.395 1.00 0.00 C ATOM 740 O VAL A 52 -1.864 -10.388 7.289 1.00 0.00 O ATOM 741 CB VAL A 52 -2.750 -9.825 4.160 1.00 0.00 C ATOM 742 CG1 VAL A 52 -3.023 -11.314 4.405 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.878 -9.242 3.306 1.00 0.00 C ATOM 0 H VAL A 52 -1.847 -7.518 4.254 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.582 -9.092 5.983 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.795 -9.743 3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.103 -11.831 3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.204 -11.744 4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.955 -11.427 4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.964 -9.810 2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.818 -9.300 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.657 -8.200 3.074 1.00 0.00 H new ATOM 753 N SER A 53 -0.291 -9.235 6.176 1.00 0.00 N ATOM 754 CA SER A 53 0.821 -9.624 7.031 1.00 0.00 C ATOM 755 C SER A 53 1.945 -8.613 6.826 1.00 0.00 C ATOM 756 O SER A 53 1.707 -7.563 6.240 1.00 0.00 O ATOM 757 CB SER A 53 1.259 -11.053 6.682 1.00 0.00 C ATOM 758 OG SER A 53 2.232 -11.517 7.602 1.00 0.00 O ATOM 0 H SER A 53 -0.013 -8.649 5.389 1.00 0.00 H new ATOM 0 HA SER A 53 0.535 -9.623 8.083 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.395 -11.717 6.694 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.666 -11.077 5.671 1.00 0.00 H new ATOM 0 HG SER A 53 2.498 -12.430 7.364 1.00 0.00 H new ATOM 764 N GLY A 54 3.166 -8.953 7.237 1.00 0.00 N ATOM 765 CA GLY A 54 4.350 -8.148 6.962 1.00 0.00 C ATOM 766 C GLY A 54 4.417 -6.869 7.801 1.00 0.00 C ATOM 767 O GLY A 54 3.610 -6.676 8.710 1.00 0.00 O ATOM 0 H GLY A 54 3.360 -9.799 7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.241 -8.747 7.152 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.364 -7.883 5.905 1.00 0.00 H new ATOM 771 N SER A 55 5.374 -5.985 7.486 1.00 0.00 N ATOM 772 CA SER A 55 5.522 -4.693 8.134 1.00 0.00 C ATOM 773 C SER A 55 6.146 -3.735 7.123 1.00 0.00 C ATOM 774 O SER A 55 7.151 -4.079 6.499 1.00 0.00 O ATOM 775 CB SER A 55 6.408 -4.800 9.384 1.00 0.00 C ATOM 776 OG SER A 55 6.746 -6.134 9.718 1.00 0.00 O ATOM 0 H SER A 55 6.072 -6.158 6.763 1.00 0.00 H new ATOM 0 HA SER A 55 4.548 -4.328 8.459 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.323 -4.230 9.222 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.892 -4.341 10.227 1.00 0.00 H new ATOM 0 HG SER A 55 7.311 -6.138 10.519 1.00 0.00 H new ATOM 782 N ILE A 56 5.555 -2.554 6.944 1.00 0.00 N ATOM 783 CA ILE A 56 6.031 -1.520 6.050 1.00 0.00 C ATOM 784 C ILE A 56 5.851 -0.197 6.783 1.00 0.00 C ATOM 785 O ILE A 56 4.980 -0.101 7.651 1.00 0.00 O ATOM 786 CB ILE A 56 5.262 -1.586 4.720 1.00 0.00 C ATOM 787 CG1 ILE A 56 3.780 -1.222 4.841 1.00 0.00 C ATOM 788 CG2 ILE A 56 5.360 -2.990 4.126 1.00 0.00 C ATOM 789 CD1 ILE A 56 3.079 -1.415 3.485 1.00 0.00 C ATOM 0 H ILE A 56 4.703 -2.290 7.438 1.00 0.00 H new ATOM 0 HA ILE A 56 7.082 -1.644 5.790 1.00 0.00 H new ATOM 0 HB ILE A 56 5.732 -0.844 4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.304 -1.846 5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.677 -0.188 5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.812 -3.026 3.184 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.406 -3.237 3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.932 -3.711 4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.025 -1.154 3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.546 -0.772 2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.168 -2.456 3.174 1.00 0.00 H new ATOM 801 N ASP A 57 6.679 0.797 6.467 1.00 0.00 N ATOM 802 CA ASP A 57 6.672 2.084 7.125 1.00 0.00 C ATOM 803 C ASP A 57 5.929 3.048 6.217 1.00 0.00 C ATOM 804 O ASP A 57 6.375 3.334 5.109 1.00 0.00 O ATOM 805 CB ASP A 57 8.102 2.559 7.388 1.00 0.00 C ATOM 806 CG ASP A 57 8.070 3.885 8.127 1.00 0.00 C ATOM 807 OD1 ASP A 57 7.605 4.877 7.524 1.00 0.00 O ATOM 808 OD2 ASP A 57 8.446 3.897 9.315 1.00 0.00 O ATOM 0 H ASP A 57 7.383 0.720 5.732 1.00 0.00 H new ATOM 0 HA ASP A 57 6.177 2.024 8.094 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.640 1.816 7.976 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.639 2.669 6.446 1.00 0.00 H new ATOM 813 N GLN A 58 4.765 3.506 6.668 1.00 0.00 N ATOM 814 CA GLN A 58 4.005 4.538 5.997 1.00 0.00 C ATOM 815 C GLN A 58 4.110 5.865 6.750 1.00 0.00 C ATOM 816 O GLN A 58 3.118 6.574 6.855 1.00 0.00 O ATOM 817 CB GLN A 58 2.566 4.042 5.817 1.00 0.00 C ATOM 818 CG GLN A 58 2.007 3.503 7.129 1.00 0.00 C ATOM 819 CD GLN A 58 0.492 3.398 7.118 1.00 0.00 C ATOM 820 OE1 GLN A 58 -0.209 3.916 6.253 1.00 0.00 O ATOM 821 NE2 GLN A 58 -0.022 2.655 8.083 1.00 0.00 N ATOM 0 H GLN A 58 4.324 3.162 7.521 1.00 0.00 H new ATOM 0 HA GLN A 58 4.412 4.738 5.006 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.938 4.858 5.458 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.539 3.261 5.057 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.434 2.520 7.325 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.317 4.154 7.947 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.588 2.239 8.786 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.029 2.498 8.124 1.00 0.00 H new ATOM 830 N SER A 59 5.293 6.248 7.245 1.00 0.00 N ATOM 831 CA SER A 59 5.478 7.542 7.904 1.00 0.00 C ATOM 832 C SER A 59 4.916 8.689 7.057 1.00 0.00 C ATOM 833 O SER A 59 4.308 9.619 7.586 1.00 0.00 O ATOM 834 CB SER A 59 6.958 7.794 8.207 1.00 0.00 C ATOM 835 OG SER A 59 7.404 6.900 9.200 1.00 0.00 O ATOM 0 H SER A 59 6.137 5.677 7.200 1.00 0.00 H new ATOM 0 HA SER A 59 4.926 7.508 8.843 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.550 7.669 7.300 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.100 8.822 8.541 1.00 0.00 H new ATOM 0 HG SER A 59 7.868 6.147 8.778 1.00 0.00 H new ATOM 841 N ASP A 60 5.076 8.588 5.733 1.00 0.00 N ATOM 842 CA ASP A 60 4.643 9.612 4.786 1.00 0.00 C ATOM 843 C ASP A 60 3.114 9.630 4.597 1.00 0.00 C ATOM 844 O ASP A 60 2.613 10.363 3.749 1.00 0.00 O ATOM 845 CB ASP A 60 5.392 9.428 3.454 1.00 0.00 C ATOM 846 CG ASP A 60 6.894 9.696 3.529 1.00 0.00 C ATOM 847 OD1 ASP A 60 7.360 10.174 4.585 1.00 0.00 O ATOM 848 OD2 ASP A 60 7.561 9.401 2.513 1.00 0.00 O ATOM 0 H ASP A 60 5.515 7.782 5.287 1.00 0.00 H new ATOM 0 HA ASP A 60 4.896 10.590 5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.235 8.409 3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.954 10.094 2.710 1.00 0.00 H new ATOM 853 N GLN A 61 2.363 8.842 5.374 1.00 0.00 N ATOM 854 CA GLN A 61 0.913 8.776 5.351 1.00 0.00 C ATOM 855 C GLN A 61 0.278 10.128 5.660 1.00 0.00 C ATOM 856 O GLN A 61 -0.491 10.641 4.861 1.00 0.00 O ATOM 857 CB GLN A 61 0.393 7.686 6.318 1.00 0.00 C ATOM 858 CG GLN A 61 0.732 7.919 7.809 1.00 0.00 C ATOM 859 CD GLN A 61 0.717 6.646 8.646 1.00 0.00 C ATOM 860 OE1 GLN A 61 -0.341 5.855 8.533 1.00 0.00 O flip ATOM 861 NE2 GLN A 61 1.634 6.377 9.415 1.00 0.00 N flip ATOM 0 H GLN A 61 2.774 8.210 6.061 1.00 0.00 H new ATOM 0 HA GLN A 61 0.617 8.503 4.338 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.690 7.616 6.214 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.806 6.724 6.013 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.718 8.379 7.881 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.018 8.628 8.229 1.00 0.00 H new ATOM 0 HE21 GLN A 61 2.439 6.999 9.486 1.00 0.00 H new ATOM 0 HE22 GLN A 61 1.592 5.531 9.983 1.00 0.00 H new ATOM 870 N SER A 62 0.520 10.660 6.860 1.00 0.00 N ATOM 871 CA SER A 62 -0.224 11.773 7.438 1.00 0.00 C ATOM 872 C SER A 62 -1.733 11.727 7.126 1.00 0.00 C ATOM 873 O SER A 62 -2.334 12.770 6.877 1.00 0.00 O ATOM 874 CB SER A 62 0.423 13.084 6.979 1.00 0.00 C ATOM 875 OG SER A 62 1.799 13.090 7.312 1.00 0.00 O ATOM 0 H SER A 62 1.261 10.316 7.471 1.00 0.00 H new ATOM 0 HA SER A 62 -0.168 11.697 8.524 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.301 13.201 5.902 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.077 13.930 7.451 1.00 0.00 H new ATOM 0 HG SER A 62 2.204 13.931 7.013 1.00 0.00 H new ATOM 881 N PHE A 63 -2.341 10.531 7.148 1.00 0.00 N ATOM 882 CA PHE A 63 -3.747 10.315 6.815 1.00 0.00 C ATOM 883 C PHE A 63 -4.345 9.229 7.703 1.00 0.00 C ATOM 884 O PHE A 63 -5.194 9.554 8.527 1.00 0.00 O ATOM 885 CB PHE A 63 -3.928 10.009 5.318 1.00 0.00 C ATOM 886 CG PHE A 63 -5.217 9.324 4.899 1.00 0.00 C ATOM 887 CD1 PHE A 63 -6.448 9.613 5.523 1.00 0.00 C ATOM 888 CD2 PHE A 63 -5.185 8.426 3.818 1.00 0.00 C ATOM 889 CE1 PHE A 63 -7.612 8.935 5.129 1.00 0.00 C ATOM 890 CE2 PHE A 63 -6.347 7.749 3.422 1.00 0.00 C ATOM 891 CZ PHE A 63 -7.565 8.013 4.070 1.00 0.00 C ATOM 0 H PHE A 63 -1.854 9.672 7.404 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.294 11.237 7.012 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.851 10.948 4.770 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.094 9.384 4.998 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.495 10.357 6.305 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.259 8.256 3.289 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.545 9.122 5.640 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.306 7.026 2.621 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.465 7.507 3.754 1.00 0.00 H new ATOM 901 N LEU A 64 -3.960 7.955 7.522 1.00 0.00 N ATOM 902 CA LEU A 64 -4.637 6.884 8.243 1.00 0.00 C ATOM 903 C LEU A 64 -4.562 7.133 9.746 1.00 0.00 C ATOM 904 O LEU A 64 -3.536 7.603 10.238 1.00 0.00 O ATOM 905 CB LEU A 64 -4.074 5.487 7.962 1.00 0.00 C ATOM 906 CG LEU A 64 -4.519 4.863 6.637 1.00 0.00 C ATOM 907 CD1 LEU A 64 -3.715 5.410 5.466 1.00 0.00 C ATOM 908 CD2 LEU A 64 -4.293 3.356 6.718 1.00 0.00 C ATOM 0 H LEU A 64 -3.208 7.655 6.902 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.666 6.900 7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.985 5.542 7.973 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.368 4.823 8.775 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.570 5.103 6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.057 4.946 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.853 6.489 5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.658 5.187 5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.604 2.891 5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.235 3.155 6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.878 2.944 7.540 1.00 0.00 H new ATOM 920 N ASP A 65 -5.625 6.771 10.461 1.00 0.00 N ATOM 921 CA ASP A 65 -5.644 6.837 11.912 1.00 0.00 C ATOM 922 C ASP A 65 -5.131 5.530 12.506 1.00 0.00 C ATOM 923 O ASP A 65 -5.034 4.504 11.826 1.00 0.00 O ATOM 924 CB ASP A 65 -7.048 7.173 12.426 1.00 0.00 C ATOM 925 CG ASP A 65 -7.425 8.622 12.150 1.00 0.00 C ATOM 926 OD1 ASP A 65 -6.906 9.486 12.890 1.00 0.00 O ATOM 927 OD2 ASP A 65 -8.226 8.837 11.216 1.00 0.00 O ATOM 0 H ASP A 65 -6.492 6.426 10.049 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.979 7.639 12.233 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.775 6.513 11.953 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.096 6.984 13.498 1.00 0.00 H new ATOM 932 N ASP A 66 -4.822 5.580 13.801 1.00 0.00 N ATOM 933 CA ASP A 66 -4.288 4.466 14.572 1.00 0.00 C ATOM 934 C ASP A 66 -5.231 3.282 14.434 1.00 0.00 C ATOM 935 O ASP A 66 -4.793 2.149 14.257 1.00 0.00 O ATOM 936 CB ASP A 66 -4.142 4.861 16.051 1.00 0.00 C ATOM 937 CG ASP A 66 -2.874 5.657 16.334 1.00 0.00 C ATOM 938 OD1 ASP A 66 -2.565 6.552 15.519 1.00 0.00 O ATOM 939 OD2 ASP A 66 -2.241 5.360 17.370 1.00 0.00 O ATOM 0 H ASP A 66 -4.942 6.426 14.358 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.301 4.197 14.194 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.008 5.450 16.351 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.142 3.959 16.664 1.00 0.00 H new ATOM 944 N GLU A 67 -6.534 3.571 14.487 1.00 0.00 N ATOM 945 CA GLU A 67 -7.589 2.593 14.336 1.00 0.00 C ATOM 946 C GLU A 67 -7.354 1.785 13.067 1.00 0.00 C ATOM 947 O GLU A 67 -7.183 0.576 13.122 1.00 0.00 O ATOM 948 CB GLU A 67 -8.963 3.280 14.297 1.00 0.00 C ATOM 949 CG GLU A 67 -9.024 4.612 15.042 1.00 0.00 C ATOM 950 CD GLU A 67 -10.466 4.978 15.371 1.00 0.00 C ATOM 951 OE1 GLU A 67 -10.945 4.495 16.420 1.00 0.00 O ATOM 952 OE2 GLU A 67 -11.071 5.702 14.553 1.00 0.00 O ATOM 0 H GLU A 67 -6.882 4.517 14.640 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.577 1.920 15.193 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.243 3.446 13.257 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.705 2.605 14.723 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.441 4.548 15.961 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.574 5.396 14.433 1.00 0.00 H new ATOM 959 N GLN A 68 -7.337 2.463 11.919 1.00 0.00 N ATOM 960 CA GLN A 68 -7.110 1.844 10.629 1.00 0.00 C ATOM 961 C GLN A 68 -5.807 1.036 10.618 1.00 0.00 C ATOM 962 O GLN A 68 -5.787 -0.112 10.178 1.00 0.00 O ATOM 963 CB GLN A 68 -7.119 2.925 9.555 1.00 0.00 C ATOM 964 CG GLN A 68 -8.497 3.585 9.488 1.00 0.00 C ATOM 965 CD GLN A 68 -8.464 4.880 8.713 1.00 0.00 C ATOM 966 OE1 GLN A 68 -7.429 5.518 8.586 1.00 0.00 O ATOM 967 NE2 GLN A 68 -9.607 5.277 8.185 1.00 0.00 N ATOM 0 H GLN A 68 -7.483 3.471 11.867 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.910 1.134 10.421 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.358 3.674 9.775 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.868 2.490 8.588 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.205 2.900 9.021 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.858 3.776 10.499 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.450 4.717 8.313 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.647 6.144 7.649 1.00 0.00 H new ATOM 976 N MET A 69 -4.706 1.619 11.097 1.00 0.00 N ATOM 977 CA MET A 69 -3.451 0.890 11.163 1.00 0.00 C ATOM 978 C MET A 69 -3.619 -0.431 11.924 1.00 0.00 C ATOM 979 O MET A 69 -3.426 -1.502 11.347 1.00 0.00 O ATOM 980 CB MET A 69 -2.366 1.775 11.776 1.00 0.00 C ATOM 981 CG MET A 69 -2.077 3.015 10.930 1.00 0.00 C ATOM 982 SD MET A 69 -0.700 4.022 11.537 1.00 0.00 S ATOM 983 CE MET A 69 -1.490 5.641 11.526 1.00 0.00 C ATOM 0 H MET A 69 -4.663 2.579 11.439 1.00 0.00 H new ATOM 0 HA MET A 69 -3.138 0.629 10.152 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.675 2.084 12.775 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.450 1.195 11.890 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.861 2.702 9.908 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.975 3.632 10.891 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.750 6.408 11.754 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.918 5.830 10.542 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.280 5.665 12.276 1.00 0.00 H new ATOM 993 N ASP A 70 -4.026 -0.353 13.193 1.00 0.00 N ATOM 994 CA ASP A 70 -4.227 -1.499 14.074 1.00 0.00 C ATOM 995 C ASP A 70 -5.164 -2.517 13.425 1.00 0.00 C ATOM 996 O ASP A 70 -4.906 -3.719 13.398 1.00 0.00 O ATOM 997 CB ASP A 70 -4.828 -1.007 15.396 1.00 0.00 C ATOM 998 CG ASP A 70 -4.991 -2.162 16.373 1.00 0.00 C ATOM 999 OD1 ASP A 70 -3.981 -2.499 17.027 1.00 0.00 O ATOM 1000 OD2 ASP A 70 -6.122 -2.689 16.444 1.00 0.00 O ATOM 0 H ASP A 70 -4.230 0.537 13.647 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.269 -1.985 14.258 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.185 -0.243 15.832 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.796 -0.541 15.211 1.00 0.00 H new ATOM 1005 N ALA A 71 -6.244 -1.988 12.853 1.00 0.00 N ATOM 1006 CA ALA A 71 -7.305 -2.730 12.195 1.00 0.00 C ATOM 1007 C ALA A 71 -6.797 -3.521 10.991 1.00 0.00 C ATOM 1008 O ALA A 71 -7.465 -4.463 10.565 1.00 0.00 O ATOM 1009 CB ALA A 71 -8.387 -1.748 11.753 1.00 0.00 C ATOM 0 H ALA A 71 -6.406 -0.981 12.838 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.708 -3.453 12.905 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.191 -2.292 11.257 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.785 -1.228 12.625 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.959 -1.022 11.061 1.00 0.00 H new ATOM 1015 N GLY A 72 -5.648 -3.141 10.424 1.00 0.00 N ATOM 1016 CA GLY A 72 -5.001 -3.893 9.374 1.00 0.00 C ATOM 1017 C GLY A 72 -4.905 -3.087 8.095 1.00 0.00 C ATOM 1018 O GLY A 72 -4.983 -3.694 7.037 1.00 0.00 O ATOM 0 H GLY A 72 -5.146 -2.294 10.691 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.002 -4.186 9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.557 -4.811 9.186 1.00 0.00 H new ATOM 1022 N TYR A 73 -4.754 -1.759 8.143 1.00 0.00 N ATOM 1023 CA TYR A 73 -4.689 -0.930 6.942 1.00 0.00 C ATOM 1024 C TYR A 73 -3.381 -0.147 6.821 1.00 0.00 C ATOM 1025 O TYR A 73 -2.681 0.079 7.804 1.00 0.00 O ATOM 1026 CB TYR A 73 -5.879 0.012 6.899 1.00 0.00 C ATOM 1027 CG TYR A 73 -7.194 -0.725 6.823 1.00 0.00 C ATOM 1028 CD1 TYR A 73 -7.609 -1.282 5.603 1.00 0.00 C ATOM 1029 CD2 TYR A 73 -8.089 -0.676 7.903 1.00 0.00 C ATOM 1030 CE1 TYR A 73 -8.946 -1.667 5.433 1.00 0.00 C ATOM 1031 CE2 TYR A 73 -9.428 -1.036 7.727 1.00 0.00 C ATOM 1032 CZ TYR A 73 -9.875 -1.468 6.473 1.00 0.00 C ATOM 1033 OH TYR A 73 -11.159 -1.906 6.353 1.00 0.00 O ATOM 0 H TYR A 73 -4.674 -1.233 9.014 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.721 -1.606 6.087 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.871 0.644 7.787 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.785 0.672 6.037 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.901 -1.413 4.798 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.741 -0.359 8.875 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.264 -2.117 4.504 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.117 -0.981 8.557 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.756 -1.139 6.229 1.00 0.00 H new ATOM 1043 N VAL A 74 -3.057 0.282 5.598 1.00 0.00 N ATOM 1044 CA VAL A 74 -1.858 1.038 5.281 1.00 0.00 C ATOM 1045 C VAL A 74 -2.120 1.870 4.028 1.00 0.00 C ATOM 1046 O VAL A 74 -2.918 1.456 3.186 1.00 0.00 O ATOM 1047 CB VAL A 74 -0.695 0.052 5.099 1.00 0.00 C ATOM 1048 CG1 VAL A 74 -0.732 -0.692 3.757 1.00 0.00 C ATOM 1049 CG2 VAL A 74 0.664 0.697 5.324 1.00 0.00 C ATOM 0 H VAL A 74 -3.643 0.104 4.783 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.591 1.726 6.084 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.839 -0.695 5.880 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.118 -1.372 3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.659 -1.261 3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.681 0.028 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.448 -0.047 5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.803 1.511 4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.717 1.090 6.339 1.00 0.00 H new ATOM 1059 N LEU A 75 -1.463 3.025 3.887 1.00 0.00 N ATOM 1060 CA LEU A 75 -1.528 3.807 2.661 1.00 0.00 C ATOM 1061 C LEU A 75 -0.588 3.186 1.626 1.00 0.00 C ATOM 1062 O LEU A 75 0.609 3.097 1.869 1.00 0.00 O ATOM 1063 CB LEU A 75 -1.153 5.282 2.912 1.00 0.00 C ATOM 1064 CG LEU A 75 -2.240 6.294 2.505 1.00 0.00 C ATOM 1065 CD1 LEU A 75 -1.614 7.681 2.332 1.00 0.00 C ATOM 1066 CD2 LEU A 75 -3.055 5.880 1.275 1.00 0.00 C ATOM 0 H LEU A 75 -0.878 3.436 4.615 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.552 3.792 2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.931 5.412 3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.239 5.510 2.364 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.967 6.321 3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.386 8.395 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.161 7.996 3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.849 7.641 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.798 6.647 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.389 5.765 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.558 4.934 1.473 1.00 0.00 H new ATOM 1078 N THR A 76 -1.098 2.751 0.475 1.00 0.00 N ATOM 1079 CA THR A 76 -0.280 2.123 -0.554 1.00 0.00 C ATOM 1080 C THR A 76 0.636 3.153 -1.226 1.00 0.00 C ATOM 1081 O THR A 76 1.827 2.914 -1.420 1.00 0.00 O ATOM 1082 CB THR A 76 -1.231 1.450 -1.552 1.00 0.00 C ATOM 1083 OG1 THR A 76 -2.289 2.332 -1.882 1.00 0.00 O ATOM 1084 CG2 THR A 76 -1.874 0.224 -0.898 1.00 0.00 C ATOM 0 H THR A 76 -2.086 2.825 0.233 1.00 0.00 H new ATOM 0 HA THR A 76 0.381 1.372 -0.121 1.00 0.00 H new ATOM 0 HB THR A 76 -0.657 1.177 -2.438 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.891 1.896 -2.521 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.550 -0.254 -1.607 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.097 -0.482 -0.605 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.434 0.534 -0.016 1.00 0.00 H new ATOM 1092 N CYS A 77 0.055 4.305 -1.571 1.00 0.00 N ATOM 1093 CA CYS A 77 0.709 5.409 -2.255 1.00 0.00 C ATOM 1094 C CYS A 77 1.903 5.952 -1.471 1.00 0.00 C ATOM 1095 O CYS A 77 2.897 6.361 -2.067 1.00 0.00 O ATOM 1096 CB CYS A 77 -0.324 6.472 -2.510 1.00 0.00 C ATOM 1097 SG CYS A 77 -1.150 7.119 -1.033 1.00 0.00 S ATOM 0 H CYS A 77 -0.927 4.496 -1.370 1.00 0.00 H new ATOM 0 HA CYS A 77 1.122 5.057 -3.201 1.00 0.00 H new ATOM 0 HB2 CYS A 77 0.153 7.301 -3.032 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.081 6.066 -3.181 1.00 0.00 H new ATOM 1102 N HIS A 78 1.821 5.926 -0.139 1.00 0.00 N ATOM 1103 CA HIS A 78 2.898 6.322 0.752 1.00 0.00 C ATOM 1104 C HIS A 78 3.158 5.224 1.787 1.00 0.00 C ATOM 1105 O HIS A 78 2.863 5.396 2.968 1.00 0.00 O ATOM 1106 CB HIS A 78 2.587 7.688 1.379 1.00 0.00 C ATOM 1107 CG HIS A 78 2.779 8.842 0.421 1.00 0.00 C ATOM 1108 ND1 HIS A 78 3.947 9.546 0.228 1.00 0.00 N ATOM 1109 CD2 HIS A 78 1.835 9.385 -0.410 1.00 0.00 C ATOM 1110 CE1 HIS A 78 3.701 10.494 -0.692 1.00 0.00 C ATOM 1111 NE2 HIS A 78 2.427 10.442 -1.114 1.00 0.00 N ATOM 0 H HIS A 78 0.982 5.621 0.355 1.00 0.00 H new ATOM 0 HA HIS A 78 3.824 6.441 0.189 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.558 7.690 1.738 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.228 7.836 2.248 1.00 0.00 H new ATOM 0 HD1 HIS A 78 4.837 9.378 0.698 1.00 0.00 H new ATOM 0 HD2 HIS A 78 0.811 9.055 -0.506 1.00 0.00 H new ATOM 0 HE1 HIS A 78 4.433 11.205 -1.046 1.00 0.00 H new ATOM 1119 N ALA A 79 3.752 4.111 1.341 1.00 0.00 N ATOM 1120 CA ALA A 79 4.296 3.068 2.204 1.00 0.00 C ATOM 1121 C ALA A 79 5.632 2.598 1.644 1.00 0.00 C ATOM 1122 O ALA A 79 5.757 2.466 0.430 1.00 0.00 O ATOM 1123 CB ALA A 79 3.339 1.880 2.288 1.00 0.00 C ATOM 0 H ALA A 79 3.868 3.911 0.348 1.00 0.00 H new ATOM 0 HA ALA A 79 4.431 3.479 3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.765 1.115 2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.384 2.210 2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.184 1.466 1.292 1.00 0.00 H new ATOM 1129 N TYR A 80 6.594 2.322 2.526 1.00 0.00 N ATOM 1130 CA TYR A 80 7.918 1.808 2.214 1.00 0.00 C ATOM 1131 C TYR A 80 8.048 0.380 2.758 1.00 0.00 C ATOM 1132 O TYR A 80 7.893 0.176 3.965 1.00 0.00 O ATOM 1133 CB TYR A 80 8.956 2.686 2.910 1.00 0.00 C ATOM 1134 CG TYR A 80 9.035 4.110 2.402 1.00 0.00 C ATOM 1135 CD1 TYR A 80 9.428 4.373 1.076 1.00 0.00 C ATOM 1136 CD2 TYR A 80 8.749 5.179 3.270 1.00 0.00 C ATOM 1137 CE1 TYR A 80 9.483 5.695 0.607 1.00 0.00 C ATOM 1138 CE2 TYR A 80 8.841 6.501 2.810 1.00 0.00 C ATOM 1139 CZ TYR A 80 9.193 6.763 1.475 1.00 0.00 C ATOM 1140 OH TYR A 80 9.224 8.043 1.010 1.00 0.00 O ATOM 0 H TYR A 80 6.458 2.460 3.527 1.00 0.00 H new ATOM 0 HA TYR A 80 8.072 1.811 1.135 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.734 2.709 3.977 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.936 2.222 2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 80 9.688 3.556 0.419 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.458 4.982 4.291 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.748 5.892 -0.421 1.00 0.00 H new ATOM 0 HE2 TYR A 80 8.641 7.320 3.484 1.00 0.00 H new ATOM 0 HH TYR A 80 8.842 8.645 1.683 1.00 0.00 H new ATOM 1150 N PRO A 81 8.270 -0.617 1.889 1.00 0.00 N ATOM 1151 CA PRO A 81 8.298 -2.016 2.271 1.00 0.00 C ATOM 1152 C PRO A 81 9.588 -2.405 2.991 1.00 0.00 C ATOM 1153 O PRO A 81 10.624 -2.545 2.350 1.00 0.00 O ATOM 1154 CB PRO A 81 8.095 -2.817 0.985 1.00 0.00 C ATOM 1155 CG PRO A 81 8.331 -1.835 -0.158 1.00 0.00 C ATOM 1156 CD PRO A 81 8.282 -0.448 0.450 1.00 0.00 C ATOM 0 HA PRO A 81 7.509 -2.228 2.993 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.791 -3.654 0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.090 -3.236 0.940 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.295 -2.017 -0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.569 -1.948 -0.930 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.145 0.141 0.138 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.393 0.088 0.117 1.00 0.00 H new ATOM 1164 N THR A 82 9.528 -2.665 4.303 1.00 0.00 N ATOM 1165 CA THR A 82 10.733 -2.931 5.085 1.00 0.00 C ATOM 1166 C THR A 82 11.090 -4.418 5.070 1.00 0.00 C ATOM 1167 O THR A 82 12.189 -4.801 5.479 1.00 0.00 O ATOM 1168 CB THR A 82 10.570 -2.409 6.521 1.00 0.00 C ATOM 1169 OG1 THR A 82 9.585 -3.119 7.253 1.00 0.00 O ATOM 1170 CG2 THR A 82 10.244 -0.914 6.538 1.00 0.00 C ATOM 0 H THR A 82 8.661 -2.696 4.839 1.00 0.00 H new ATOM 0 HA THR A 82 11.562 -2.396 4.622 1.00 0.00 H new ATOM 0 HB THR A 82 11.531 -2.573 7.009 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.827 -3.326 6.667 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.135 -0.577 7.569 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.051 -0.360 6.058 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.313 -0.738 5.999 1.00 0.00 H new ATOM 1178 N SER A 83 10.168 -5.270 4.613 1.00 0.00 N ATOM 1179 CA SER A 83 10.367 -6.695 4.425 1.00 0.00 C ATOM 1180 C SER A 83 9.427 -7.163 3.318 1.00 0.00 C ATOM 1181 O SER A 83 8.711 -6.348 2.735 1.00 0.00 O ATOM 1182 CB SER A 83 10.128 -7.448 5.743 1.00 0.00 C ATOM 1183 OG SER A 83 11.032 -7.012 6.743 1.00 0.00 O ATOM 0 H SER A 83 9.229 -4.966 4.356 1.00 0.00 H new ATOM 0 HA SER A 83 11.395 -6.905 4.129 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.103 -7.288 6.078 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.247 -8.519 5.582 1.00 0.00 H new ATOM 0 HG SER A 83 11.617 -6.317 6.375 1.00 0.00 H new ATOM 1189 N ASP A 84 9.421 -8.465 3.034 1.00 0.00 N ATOM 1190 CA ASP A 84 8.400 -9.099 2.225 1.00 0.00 C ATOM 1191 C ASP A 84 7.063 -8.957 2.953 1.00 0.00 C ATOM 1192 O ASP A 84 6.957 -9.301 4.129 1.00 0.00 O ATOM 1193 CB ASP A 84 8.777 -10.566 1.974 1.00 0.00 C ATOM 1194 CG ASP A 84 9.061 -11.338 3.258 1.00 0.00 C ATOM 1195 OD1 ASP A 84 9.946 -10.858 4.008 1.00 0.00 O ATOM 1196 OD2 ASP A 84 8.423 -12.394 3.449 1.00 0.00 O ATOM 0 H ASP A 84 10.137 -9.110 3.367 1.00 0.00 H new ATOM 0 HA ASP A 84 8.315 -8.622 1.248 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.967 -11.056 1.434 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.657 -10.604 1.332 1.00 0.00 H new ATOM 1201 N VAL A 85 6.065 -8.376 2.281 1.00 0.00 N ATOM 1202 CA VAL A 85 4.774 -8.052 2.888 1.00 0.00 C ATOM 1203 C VAL A 85 3.615 -8.489 1.993 1.00 0.00 C ATOM 1204 O VAL A 85 3.759 -8.639 0.780 1.00 0.00 O ATOM 1205 CB VAL A 85 4.711 -6.560 3.290 1.00 0.00 C ATOM 1206 CG1 VAL A 85 3.305 -6.087 3.687 1.00 0.00 C ATOM 1207 CG2 VAL A 85 5.754 -6.237 4.358 1.00 0.00 C ATOM 0 H VAL A 85 6.132 -8.117 1.297 1.00 0.00 H new ATOM 0 HA VAL A 85 4.670 -8.622 3.811 1.00 0.00 H new ATOM 0 HB VAL A 85 4.957 -5.989 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.339 -5.031 3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.624 -6.226 2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.953 -6.668 4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.689 -5.182 4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.569 -6.846 5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.750 -6.453 3.971 1.00 0.00 H new ATOM 1217 N VAL A 86 2.456 -8.704 2.622 1.00 0.00 N ATOM 1218 CA VAL A 86 1.226 -9.098 1.972 1.00 0.00 C ATOM 1219 C VAL A 86 0.188 -8.045 2.341 1.00 0.00 C ATOM 1220 O VAL A 86 -0.095 -7.856 3.526 1.00 0.00 O ATOM 1221 CB VAL A 86 0.809 -10.495 2.461 1.00 0.00 C ATOM 1222 CG1 VAL A 86 -0.353 -11.026 1.616 1.00 0.00 C ATOM 1223 CG2 VAL A 86 1.969 -11.496 2.370 1.00 0.00 C ATOM 0 H VAL A 86 2.356 -8.602 3.632 1.00 0.00 H new ATOM 0 HA VAL A 86 1.335 -9.157 0.889 1.00 0.00 H new ATOM 0 HB VAL A 86 0.508 -10.394 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.639 -12.016 1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.204 -10.350 1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.044 -11.091 0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.636 -12.472 2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.298 -11.579 1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.798 -11.149 2.987 1.00 0.00 H new ATOM 1233 N ILE A 87 -0.354 -7.347 1.343 1.00 0.00 N ATOM 1234 CA ILE A 87 -1.379 -6.341 1.518 1.00 0.00 C ATOM 1235 C ILE A 87 -2.422 -6.495 0.406 1.00 0.00 C ATOM 1236 O ILE A 87 -2.095 -6.963 -0.680 1.00 0.00 O ATOM 1237 CB ILE A 87 -0.712 -4.951 1.612 1.00 0.00 C ATOM 1238 CG1 ILE A 87 -1.668 -3.763 1.456 1.00 0.00 C ATOM 1239 CG2 ILE A 87 0.520 -4.768 0.724 1.00 0.00 C ATOM 1240 CD1 ILE A 87 -1.776 -3.389 -0.016 1.00 0.00 C ATOM 0 H ILE A 87 -0.079 -7.476 0.369 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.926 -6.465 2.453 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.364 -4.944 2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.651 -4.019 1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.305 -2.912 2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.919 -3.762 0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.280 -5.499 1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.241 -4.912 -0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.456 -2.544 -0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.791 -3.115 -0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.158 -4.240 -0.580 1.00 0.00 H new ATOM 1252 N GLU A 88 -3.671 -6.101 0.662 1.00 0.00 N ATOM 1253 CA GLU A 88 -4.718 -5.989 -0.351 1.00 0.00 C ATOM 1254 C GLU A 88 -4.865 -4.524 -0.747 1.00 0.00 C ATOM 1255 O GLU A 88 -5.062 -3.703 0.138 1.00 0.00 O ATOM 1256 CB GLU A 88 -6.068 -6.442 0.208 1.00 0.00 C ATOM 1257 CG GLU A 88 -6.081 -7.692 1.083 1.00 0.00 C ATOM 1258 CD GLU A 88 -7.464 -7.959 1.672 1.00 0.00 C ATOM 1259 OE1 GLU A 88 -8.269 -6.998 1.729 1.00 0.00 O ATOM 1260 OE2 GLU A 88 -7.702 -9.121 2.059 1.00 0.00 O ATOM 0 H GLU A 88 -3.987 -5.846 1.598 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.439 -6.614 -1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.485 -5.620 0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.741 -6.612 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.766 -8.552 0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.358 -7.578 1.891 1.00 0.00 H new ATOM 1267 N THR A 89 -4.814 -4.172 -2.030 1.00 0.00 N ATOM 1268 CA THR A 89 -5.025 -2.777 -2.443 1.00 0.00 C ATOM 1269 C THR A 89 -6.530 -2.480 -2.556 1.00 0.00 C ATOM 1270 O THR A 89 -7.346 -3.375 -2.339 1.00 0.00 O ATOM 1271 CB THR A 89 -4.271 -2.478 -3.751 1.00 0.00 C ATOM 1272 OG1 THR A 89 -4.844 -3.193 -4.817 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.785 -2.820 -3.648 1.00 0.00 C ATOM 0 H THR A 89 -4.631 -4.820 -2.796 1.00 0.00 H new ATOM 0 HA THR A 89 -4.616 -2.112 -1.682 1.00 0.00 H new ATOM 0 HB THR A 89 -4.357 -1.407 -3.935 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.713 -2.801 -5.044 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.293 -2.593 -4.594 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.330 -2.231 -2.852 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.670 -3.881 -3.425 1.00 0.00 H new ATOM 1281 N HIS A 90 -6.892 -1.240 -2.915 1.00 0.00 N ATOM 1282 CA HIS A 90 -8.262 -0.812 -3.203 1.00 0.00 C ATOM 1283 C HIS A 90 -9.113 -0.785 -1.926 1.00 0.00 C ATOM 1284 O HIS A 90 -10.156 -1.431 -1.871 1.00 0.00 O ATOM 1285 CB HIS A 90 -8.930 -1.669 -4.305 1.00 0.00 C ATOM 1286 CG HIS A 90 -8.247 -1.727 -5.650 1.00 0.00 C ATOM 1287 ND1 HIS A 90 -6.898 -1.832 -5.883 1.00 0.00 N ATOM 1288 CD2 HIS A 90 -8.870 -1.883 -6.859 1.00 0.00 C ATOM 1289 CE1 HIS A 90 -6.708 -2.083 -7.187 1.00 0.00 C ATOM 1290 NE2 HIS A 90 -7.886 -2.111 -7.827 1.00 0.00 N ATOM 0 H HIS A 90 -6.214 -0.485 -3.015 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.200 0.205 -3.592 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.022 -2.688 -3.930 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -9.942 -1.293 -4.457 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -9.935 -1.838 -7.035 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.747 -2.240 -7.653 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.035 -2.268 -8.824 1.00 0.00 H new ATOM 1298 N LYS A 91 -8.668 -0.052 -0.895 1.00 0.00 N ATOM 1299 CA LYS A 91 -9.325 -0.031 0.415 1.00 0.00 C ATOM 1300 C LYS A 91 -9.731 1.369 0.871 1.00 0.00 C ATOM 1301 O LYS A 91 -10.115 1.549 2.027 1.00 0.00 O ATOM 1302 CB LYS A 91 -8.442 -0.767 1.427 1.00 0.00 C ATOM 1303 CG LYS A 91 -8.114 -2.175 0.916 1.00 0.00 C ATOM 1304 CD LYS A 91 -9.348 -3.060 0.866 1.00 0.00 C ATOM 1305 CE LYS A 91 -9.161 -4.323 0.023 1.00 0.00 C ATOM 1306 NZ LYS A 91 -9.966 -5.442 0.546 1.00 0.00 N ATOM 0 H LYS A 91 -7.841 0.543 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.275 -0.559 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.521 -0.208 1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.952 -0.830 2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.675 -2.107 -0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.366 -2.631 1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.620 -3.348 1.882 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.182 -2.485 0.464 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.446 -4.119 -1.009 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.108 -4.604 0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.194 -6.097 -0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.426 -5.946 1.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.847 -5.073 0.958 1.00 0.00 H new ATOM 1320 N GLU A 92 -9.706 2.329 -0.055 1.00 0.00 N ATOM 1321 CA GLU A 92 -10.297 3.654 0.046 1.00 0.00 C ATOM 1322 C GLU A 92 -11.606 3.607 0.850 1.00 0.00 C ATOM 1323 O GLU A 92 -11.590 3.912 2.045 1.00 0.00 O ATOM 1324 CB GLU A 92 -10.430 4.167 -1.396 1.00 0.00 C ATOM 1325 CG GLU A 92 -11.023 5.576 -1.530 1.00 0.00 C ATOM 1326 CD GLU A 92 -12.408 5.636 -2.156 1.00 0.00 C ATOM 1327 OE1 GLU A 92 -12.767 4.665 -2.858 1.00 0.00 O ATOM 1328 OE2 GLU A 92 -13.055 6.684 -1.957 1.00 0.00 O ATOM 0 H GLU A 92 -9.241 2.187 -0.952 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.682 4.357 0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.444 4.158 -1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.054 3.471 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.069 6.030 -0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.344 6.184 -2.128 1.00 0.00 H new ATOM 1335 N GLU A 93 -12.710 3.127 0.265 1.00 0.00 N ATOM 1336 CA GLU A 93 -13.956 2.944 1.013 1.00 0.00 C ATOM 1337 C GLU A 93 -13.982 1.616 1.797 1.00 0.00 C ATOM 1338 O GLU A 93 -15.016 0.955 1.869 1.00 0.00 O ATOM 1339 CB GLU A 93 -15.195 3.077 0.103 1.00 0.00 C ATOM 1340 CG GLU A 93 -15.463 4.499 -0.407 1.00 0.00 C ATOM 1341 CD GLU A 93 -16.871 4.623 -0.984 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -17.212 3.785 -1.848 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -17.601 5.530 -0.527 1.00 0.00 O ATOM 0 H GLU A 93 -12.765 2.860 -0.718 1.00 0.00 H new ATOM 0 HA GLU A 93 -13.994 3.749 1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.073 2.415 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -16.071 2.731 0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -15.338 5.210 0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.730 4.758 -1.171 1.00 0.00 H new ATOM 1350 N GLU A 94 -12.863 1.232 2.419 1.00 0.00 N ATOM 1351 CA GLU A 94 -12.823 0.293 3.530 1.00 0.00 C ATOM 1352 C GLU A 94 -12.210 0.940 4.775 1.00 0.00 C ATOM 1353 O GLU A 94 -12.498 0.477 5.882 1.00 0.00 O ATOM 1354 CB GLU A 94 -12.017 -0.967 3.184 1.00 0.00 C ATOM 1355 CG GLU A 94 -12.762 -2.066 2.418 1.00 0.00 C ATOM 1356 CD GLU A 94 -12.139 -3.445 2.660 1.00 0.00 C ATOM 1357 OE1 GLU A 94 -11.739 -3.729 3.816 1.00 0.00 O ATOM 1358 OE2 GLU A 94 -12.008 -4.207 1.678 1.00 0.00 O ATOM 0 H GLU A 94 -11.941 1.577 2.153 1.00 0.00 H new ATOM 0 HA GLU A 94 -13.856 0.009 3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.151 -0.667 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.638 -1.395 4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.808 -2.080 2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.746 -1.841 1.352 1.00 0.00 H new ATOM 1365 N ILE A 95 -11.309 1.921 4.628 1.00 0.00 N ATOM 1366 CA ILE A 95 -10.710 2.578 5.771 1.00 0.00 C ATOM 1367 C ILE A 95 -11.601 3.666 6.365 1.00 0.00 C ATOM 1368 O ILE A 95 -11.744 3.714 7.589 1.00 0.00 O ATOM 1369 CB ILE A 95 -9.274 3.036 5.472 1.00 0.00 C ATOM 1370 CG1 ILE A 95 -9.181 4.076 4.361 1.00 0.00 C ATOM 1371 CG2 ILE A 95 -8.422 1.817 5.126 1.00 0.00 C ATOM 1372 CD1 ILE A 95 -7.828 4.769 4.349 1.00 0.00 C ATOM 0 H ILE A 95 -10.987 2.268 3.725 1.00 0.00 H new ATOM 0 HA ILE A 95 -10.626 1.835 6.564 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.901 3.526 6.371 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.352 3.595 3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.969 4.818 4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.402 2.135 4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.418 1.125 5.968 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.838 1.319 4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.802 5.502 3.543 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.668 5.272 5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.042 4.030 4.193 1.00 0.00 H new ATOM 1384 N VAL A 96 -12.141 4.560 5.535 1.00 0.00 N ATOM 1385 CA VAL A 96 -12.885 5.714 6.028 1.00 0.00 C ATOM 1386 C VAL A 96 -14.329 5.313 6.340 1.00 0.00 C ATOM 1387 O VAL A 96 -14.762 4.258 5.822 1.00 0.00 O ATOM 1388 CB VAL A 96 -12.801 6.913 5.063 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -11.360 7.423 4.882 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -13.425 6.621 3.692 1.00 0.00 C ATOM 1391 OXT VAL A 96 -14.981 6.075 7.088 1.00 0.00 O ATOM 0 H VAL A 96 -12.076 4.505 4.519 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.422 6.050 6.956 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.387 7.699 5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.357 8.268 4.193 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.962 7.740 5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.739 6.623 4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.336 7.502 3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -12.905 5.784 3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.478 6.370 3.818 1.00 0.00 H new TER 1401 VAL A 96 HETATM 1402 FE1 FES A 97 -3.929 10.495 -1.866 1.00 0.00 FE HETATM 1403 FE2 FES A 97 -3.068 8.070 -1.950 1.00 0.00 FE HETATM 1404 S1 FES A 97 -2.303 9.738 -3.008 1.00 0.00 S HETATM 1405 S2 FES A 97 -4.520 8.859 -0.549 1.00 0.00 S