USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 558 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 1 ALA N :NH3+ -166:sc= 1.05! (180deg=0.618!) USER MOD Set 1.2: A 56 HIS : no HE2:sc= 1 K(o=2,f=-22!) USER MOD Set 2.1: A 20 CYS SG : rot -168:sc= 0.294 USER MOD Set 2.2: A 24 CYS SG : rot 131:sc= 0.242 USER MOD Set 3.1: A 13 CYS SG : rot 180:sc= 0.358 USER MOD Set 3.2: A 15 SER OG : rot 93:sc= 0.257 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -60:sc= 0.803 USER MOD Single : A 8 CYS SG : rot -5:sc= 0.0629 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 3.14 (180deg=2.68) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.0715 USER MOD Single : A 26 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.31) USER MOD Single : A 31 GLN : amide:sc= 0.137! C(o=0.14!,f=-11!) USER MOD Single : A 32 TYR OH : rot -94:sc= 1.23 USER MOD Single : A 33 TYR OH : rot 56:sc= 1.33 USER MOD Single : A 39 CYS SG : rot 170:sc= 0.082 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.195 USER MOD Single : A 45 CYS SG : rot -52:sc= -0.224 USER MOD Single : A 49 CYS SG : rot 160:sc= -1.26 USER MOD Single : A 52 SER OG : rot -61:sc= 0.0388 USER MOD Single : A 55 TYR OH : rot 97:sc= 1.21 USER MOD Single : A 65 LYS NZ :NH3+ 175:sc= 0.973 (180deg=0.608) USER MOD Single : A 66 SER OG : rot -110:sc= 0.989 USER MOD Single : A 67 TYR OH : rot 180:sc= 1.21 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= 2.46 (180deg=2.06) USER MOD Single : A 71 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.9) USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= 1.54! (180deg=1.24!) USER MOD Single : A 77 LYS NZ :NH3+ -169:sc= 1.57 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.489 2.850 7.838 1.00 0.00 N ATOM 2 CA ALA A 1 -5.932 2.946 6.486 1.00 0.00 C ATOM 3 C ALA A 1 -5.058 1.743 6.149 1.00 0.00 C ATOM 4 O ALA A 1 -4.465 1.120 7.034 1.00 0.00 O ATOM 5 CB ALA A 1 -5.192 4.258 6.310 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.253 3.546 7.949 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.867 1.893 7.990 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.742 3.042 8.536 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.758 2.933 5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.784 4.313 5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.880 5.088 6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.379 4.317 7.033 1.00 0.00 H new ATOM 13 N TYR A 2 -5.002 1.412 4.856 1.00 0.00 N ATOM 14 CA TYR A 2 -4.271 0.268 4.339 1.00 0.00 C ATOM 15 C TYR A 2 -2.906 0.703 3.827 1.00 0.00 C ATOM 16 O TYR A 2 -2.749 1.811 3.317 1.00 0.00 O ATOM 17 CB TYR A 2 -5.072 -0.411 3.232 1.00 0.00 C ATOM 18 CG TYR A 2 -6.320 -1.109 3.723 1.00 0.00 C ATOM 19 CD1 TYR A 2 -7.517 -0.385 3.862 1.00 0.00 C ATOM 20 CD2 TYR A 2 -6.299 -2.489 4.000 1.00 0.00 C ATOM 21 CE1 TYR A 2 -8.711 -1.060 4.152 1.00 0.00 C ATOM 22 CE2 TYR A 2 -7.497 -3.161 4.294 1.00 0.00 C ATOM 23 CZ TYR A 2 -8.712 -2.456 4.288 1.00 0.00 C ATOM 24 OH TYR A 2 -9.894 -3.130 4.341 1.00 0.00 O ATOM 0 H TYR A 2 -5.476 1.948 4.129 1.00 0.00 H new ATOM 0 HA TYR A 2 -4.121 -0.450 5.146 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.353 0.336 2.489 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -4.435 -1.138 2.728 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.517 0.689 3.746 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.364 -3.030 3.987 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -9.630 -0.505 4.271 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -7.484 -4.216 4.524 1.00 0.00 H new ATOM 0 HH TYR A 2 -9.719 -4.090 4.435 1.00 0.00 H new ATOM 34 N VAL A 3 -1.918 -0.172 4.007 1.00 0.00 N ATOM 35 CA VAL A 3 -0.517 0.118 3.770 1.00 0.00 C ATOM 36 C VAL A 3 0.192 -1.067 3.107 1.00 0.00 C ATOM 37 O VAL A 3 -0.098 -2.227 3.408 1.00 0.00 O ATOM 38 CB VAL A 3 0.132 0.496 5.111 1.00 0.00 C ATOM 39 CG1 VAL A 3 1.634 0.654 4.919 1.00 0.00 C ATOM 40 CG2 VAL A 3 -0.429 1.828 5.619 1.00 0.00 C ATOM 0 H VAL A 3 -2.081 -1.126 4.330 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.424 0.954 3.077 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.083 -0.292 5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.096 0.922 5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.056 -0.286 4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.827 1.439 4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.041 2.082 6.569 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.221 2.612 4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.506 1.739 5.759 1.00 0.00 H new ATOM 50 N ILE A 4 1.136 -0.747 2.210 1.00 0.00 N ATOM 51 CA ILE A 4 2.021 -1.691 1.540 1.00 0.00 C ATOM 52 C ILE A 4 3.093 -2.167 2.516 1.00 0.00 C ATOM 53 O ILE A 4 3.619 -1.375 3.296 1.00 0.00 O ATOM 54 CB ILE A 4 2.660 -1.019 0.300 1.00 0.00 C ATOM 55 CG1 ILE A 4 1.787 -1.264 -0.936 1.00 0.00 C ATOM 56 CG2 ILE A 4 4.063 -1.556 -0.031 1.00 0.00 C ATOM 57 CD1 ILE A 4 0.456 -0.518 -0.891 1.00 0.00 C ATOM 0 H ILE A 4 1.305 0.218 1.925 1.00 0.00 H new ATOM 0 HA ILE A 4 1.450 -2.557 1.204 1.00 0.00 H new ATOM 0 HB ILE A 4 2.739 0.040 0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.337 -0.960 -1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.594 -2.333 -1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.451 -1.042 -0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.728 -1.382 0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.005 -2.626 -0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.113 -0.735 -1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.112 -0.840 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.642 0.554 -0.827 1.00 0.00 H new ATOM 69 N THR A 5 3.459 -3.447 2.423 1.00 0.00 N ATOM 70 CA THR A 5 4.592 -3.999 3.139 1.00 0.00 C ATOM 71 C THR A 5 5.474 -4.806 2.190 1.00 0.00 C ATOM 72 O THR A 5 5.063 -5.163 1.087 1.00 0.00 O ATOM 73 CB THR A 5 4.100 -4.860 4.310 1.00 0.00 C ATOM 74 OG1 THR A 5 3.207 -5.867 3.875 1.00 0.00 O ATOM 75 CG2 THR A 5 3.428 -3.995 5.375 1.00 0.00 C ATOM 0 H THR A 5 2.969 -4.128 1.843 1.00 0.00 H new ATOM 0 HA THR A 5 5.194 -3.185 3.544 1.00 0.00 H new ATOM 0 HB THR A 5 4.974 -5.344 4.745 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.429 -5.452 3.447 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.087 -4.627 6.195 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.142 -3.263 5.753 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.575 -3.477 4.938 1.00 0.00 H new ATOM 83 N GLU A 6 6.682 -5.092 2.678 1.00 0.00 N ATOM 84 CA GLU A 6 7.721 -5.953 2.135 1.00 0.00 C ATOM 85 C GLU A 6 7.313 -6.874 0.965 1.00 0.00 C ATOM 86 O GLU A 6 7.918 -6.752 -0.101 1.00 0.00 O ATOM 87 CB GLU A 6 8.390 -6.643 3.330 1.00 0.00 C ATOM 88 CG GLU A 6 9.801 -7.145 3.080 1.00 0.00 C ATOM 89 CD GLU A 6 10.711 -6.799 4.256 1.00 0.00 C ATOM 90 OE1 GLU A 6 11.188 -5.644 4.264 1.00 0.00 O ATOM 91 OE2 GLU A 6 10.828 -7.634 5.179 1.00 0.00 O ATOM 0 H GLU A 6 6.984 -4.678 3.560 1.00 0.00 H new ATOM 0 HA GLU A 6 8.451 -5.342 1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.413 -5.944 4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.770 -7.486 3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.787 -8.224 2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.194 -6.700 2.166 1.00 0.00 H new ATOM 98 N PRO A 7 6.319 -7.780 1.078 1.00 0.00 N ATOM 99 CA PRO A 7 6.030 -8.727 0.006 1.00 0.00 C ATOM 100 C PRO A 7 5.607 -8.067 -1.316 1.00 0.00 C ATOM 101 O PRO A 7 5.705 -8.697 -2.365 1.00 0.00 O ATOM 102 CB PRO A 7 4.946 -9.668 0.546 1.00 0.00 C ATOM 103 CG PRO A 7 5.060 -9.514 2.063 1.00 0.00 C ATOM 104 CD PRO A 7 5.428 -8.040 2.198 1.00 0.00 C ATOM 0 HA PRO A 7 6.940 -9.266 -0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.956 -9.387 0.188 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.117 -10.698 0.233 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.124 -9.750 2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.824 -10.167 2.484 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.543 -7.405 2.156 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.919 -7.840 3.150 1.00 0.00 H new ATOM 112 N CYS A 8 5.137 -6.813 -1.286 1.00 0.00 N ATOM 113 CA CYS A 8 4.837 -6.048 -2.493 1.00 0.00 C ATOM 114 C CYS A 8 6.095 -5.815 -3.339 1.00 0.00 C ATOM 115 O CYS A 8 6.010 -5.733 -4.564 1.00 0.00 O ATOM 116 CB CYS A 8 4.259 -4.711 -2.093 1.00 0.00 C ATOM 117 SG CYS A 8 4.221 -3.410 -3.354 1.00 0.00 S ATOM 0 H CYS A 8 4.956 -6.304 -0.421 1.00 0.00 H new ATOM 0 HA CYS A 8 4.125 -6.616 -3.091 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.239 -4.875 -1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.829 -4.339 -1.241 1.00 0.00 H new ATOM 0 HG CYS A 8 4.816 -3.831 -4.430 1.00 0.00 H new ATOM 122 N ILE A 9 7.257 -5.666 -2.692 1.00 0.00 N ATOM 123 CA ILE A 9 8.455 -5.211 -3.373 1.00 0.00 C ATOM 124 C ILE A 9 9.011 -6.267 -4.331 1.00 0.00 C ATOM 125 O ILE A 9 9.783 -7.145 -3.954 1.00 0.00 O ATOM 126 CB ILE A 9 9.447 -4.536 -2.411 1.00 0.00 C ATOM 127 CG1 ILE A 9 8.769 -3.277 -1.816 1.00 0.00 C ATOM 128 CG2 ILE A 9 10.708 -4.084 -3.164 1.00 0.00 C ATOM 129 CD1 ILE A 9 8.233 -3.491 -0.413 1.00 0.00 C ATOM 0 H ILE A 9 7.384 -5.856 -1.698 1.00 0.00 H new ATOM 0 HA ILE A 9 8.192 -4.397 -4.049 1.00 0.00 H new ATOM 0 HB ILE A 9 9.726 -5.247 -1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.488 -2.458 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.950 -2.971 -2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.398 -3.609 -2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.190 -4.949 -3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.432 -3.373 -3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.771 -2.571 -0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.490 -4.289 -0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.052 -3.767 0.251 1.00 0.00 H new ATOM 141 N GLY A 10 8.613 -6.127 -5.597 1.00 0.00 N ATOM 142 CA GLY A 10 9.039 -6.844 -6.764 1.00 0.00 C ATOM 143 C GLY A 10 8.798 -5.858 -7.905 1.00 0.00 C ATOM 144 O GLY A 10 7.958 -4.963 -7.795 1.00 0.00 O ATOM 0 H GLY A 10 7.909 -5.429 -5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.089 -7.130 -6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.467 -7.762 -6.901 1.00 0.00 H new ATOM 148 N THR A 11 9.595 -5.991 -8.953 1.00 0.00 N ATOM 149 CA THR A 11 9.684 -5.089 -10.088 1.00 0.00 C ATOM 150 C THR A 11 8.310 -4.721 -10.664 1.00 0.00 C ATOM 151 O THR A 11 7.554 -5.613 -11.041 1.00 0.00 O ATOM 152 CB THR A 11 10.569 -5.758 -11.140 1.00 0.00 C ATOM 153 OG1 THR A 11 11.630 -6.451 -10.503 1.00 0.00 O ATOM 154 CG2 THR A 11 11.141 -4.751 -12.139 1.00 0.00 C ATOM 0 H THR A 11 10.236 -6.780 -9.038 1.00 0.00 H new ATOM 0 HA THR A 11 10.120 -4.144 -9.763 1.00 0.00 H new ATOM 0 HB THR A 11 9.944 -6.457 -11.697 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.194 -6.880 -11.180 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.763 -5.273 -12.866 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.324 -4.247 -12.655 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.744 -4.015 -11.608 1.00 0.00 H new ATOM 162 N LYS A 12 8.028 -3.415 -10.759 1.00 0.00 N ATOM 163 CA LYS A 12 6.863 -2.780 -11.371 1.00 0.00 C ATOM 164 C LYS A 12 5.642 -3.682 -11.590 1.00 0.00 C ATOM 165 O LYS A 12 5.257 -3.997 -12.713 1.00 0.00 O ATOM 166 CB LYS A 12 7.296 -1.962 -12.603 1.00 0.00 C ATOM 167 CG LYS A 12 7.415 -0.503 -12.156 1.00 0.00 C ATOM 168 CD LYS A 12 8.116 0.401 -13.172 1.00 0.00 C ATOM 169 CE LYS A 12 8.052 1.862 -12.699 1.00 0.00 C ATOM 170 NZ LYS A 12 8.534 2.022 -11.312 1.00 0.00 N ATOM 0 H LYS A 12 8.667 -2.719 -10.375 1.00 0.00 H new ATOM 0 HA LYS A 12 6.464 -2.085 -10.632 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.248 -2.325 -12.991 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.566 -2.060 -13.406 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.417 -0.110 -11.962 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.961 -0.465 -11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.155 0.093 -13.291 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.641 0.304 -14.148 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.651 2.484 -13.364 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.025 2.220 -12.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.569 3.033 -11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.887 1.533 -10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.486 1.613 -11.226 1.00 0.00 H new ATOM 184 N CYS A 13 4.998 -4.008 -10.468 1.00 0.00 N ATOM 185 CA CYS A 13 3.710 -4.676 -10.371 1.00 0.00 C ATOM 186 C CYS A 13 2.634 -3.997 -11.231 1.00 0.00 C ATOM 187 O CYS A 13 2.017 -4.623 -12.089 1.00 0.00 O ATOM 188 CB CYS A 13 3.323 -4.651 -8.921 1.00 0.00 C ATOM 189 SG CYS A 13 1.603 -5.057 -8.593 1.00 0.00 S ATOM 0 H CYS A 13 5.390 -3.798 -9.550 1.00 0.00 H new ATOM 0 HA CYS A 13 3.791 -5.696 -10.748 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.957 -5.352 -8.378 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.530 -3.658 -8.521 1.00 0.00 H new ATOM 0 HG CYS A 13 1.382 -5.007 -7.313 1.00 0.00 H new ATOM 194 N ALA A 14 2.388 -2.710 -10.958 1.00 0.00 N ATOM 195 CA ALA A 14 1.407 -1.876 -11.644 1.00 0.00 C ATOM 196 C ALA A 14 0.002 -2.493 -11.677 1.00 0.00 C ATOM 197 O ALA A 14 -0.684 -2.404 -12.693 1.00 0.00 O ATOM 198 CB ALA A 14 1.916 -1.509 -13.044 1.00 0.00 C ATOM 0 H ALA A 14 2.888 -2.207 -10.225 1.00 0.00 H new ATOM 0 HA ALA A 14 1.296 -0.959 -11.065 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.177 -0.886 -13.548 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.854 -0.961 -12.958 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.079 -2.419 -13.622 1.00 0.00 H new ATOM 204 N SER A 15 -0.444 -3.076 -10.557 1.00 0.00 N ATOM 205 CA SER A 15 -1.808 -3.587 -10.406 1.00 0.00 C ATOM 206 C SER A 15 -2.675 -2.641 -9.567 1.00 0.00 C ATOM 207 O SER A 15 -3.763 -2.266 -9.998 1.00 0.00 O ATOM 208 CB SER A 15 -1.789 -5.006 -9.834 1.00 0.00 C ATOM 209 OG SER A 15 -0.996 -5.842 -10.656 1.00 0.00 O ATOM 0 H SER A 15 0.136 -3.206 -9.728 1.00 0.00 H new ATOM 0 HA SER A 15 -2.265 -3.634 -11.394 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.391 -4.994 -8.819 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.804 -5.397 -9.773 1.00 0.00 H new ATOM 0 HG SER A 15 -0.076 -5.854 -10.319 1.00 0.00 H new ATOM 215 N CYS A 16 -2.207 -2.236 -8.378 1.00 0.00 N ATOM 216 CA CYS A 16 -2.905 -1.248 -7.559 1.00 0.00 C ATOM 217 C CYS A 16 -2.698 0.156 -8.162 1.00 0.00 C ATOM 218 O CYS A 16 -1.987 0.999 -7.619 1.00 0.00 O ATOM 219 CB CYS A 16 -2.567 -1.393 -6.080 1.00 0.00 C ATOM 220 SG CYS A 16 -0.855 -1.183 -5.522 1.00 0.00 S ATOM 0 H CYS A 16 -1.342 -2.583 -7.964 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.980 -1.427 -7.583 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.177 -0.673 -5.535 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.891 -2.386 -5.768 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.795 -1.346 -4.234 1.00 0.00 H new ATOM 225 N VAL A 17 -3.316 0.391 -9.329 1.00 0.00 N ATOM 226 CA VAL A 17 -3.293 1.648 -10.075 1.00 0.00 C ATOM 227 C VAL A 17 -4.679 1.907 -10.675 1.00 0.00 C ATOM 228 O VAL A 17 -5.428 0.955 -10.884 1.00 0.00 O ATOM 229 CB VAL A 17 -2.220 1.614 -11.181 1.00 0.00 C ATOM 230 CG1 VAL A 17 -0.812 1.506 -10.591 1.00 0.00 C ATOM 231 CG2 VAL A 17 -2.429 0.480 -12.196 1.00 0.00 C ATOM 0 H VAL A 17 -3.870 -0.327 -9.796 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.038 2.459 -9.393 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.326 2.560 -11.713 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.080 1.484 -11.398 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.619 2.366 -9.949 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.732 0.591 -10.005 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.639 0.514 -12.947 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.399 -0.480 -11.680 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.397 0.601 -12.682 1.00 0.00 H new ATOM 241 N GLU A 18 -4.993 3.178 -10.961 1.00 0.00 N ATOM 242 CA GLU A 18 -6.202 3.639 -11.631 1.00 0.00 C ATOM 243 C GLU A 18 -7.459 2.895 -11.166 1.00 0.00 C ATOM 244 O GLU A 18 -8.147 2.254 -11.962 1.00 0.00 O ATOM 245 CB GLU A 18 -6.004 3.619 -13.137 1.00 0.00 C ATOM 246 CG GLU A 18 -4.671 4.221 -13.607 1.00 0.00 C ATOM 247 CD GLU A 18 -4.578 4.233 -15.128 1.00 0.00 C ATOM 248 OE1 GLU A 18 -5.479 4.840 -15.747 1.00 0.00 O ATOM 249 OE2 GLU A 18 -3.612 3.632 -15.643 1.00 0.00 O ATOM 0 H GLU A 18 -4.372 3.949 -10.715 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.380 4.675 -11.341 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.067 2.588 -13.486 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.822 4.166 -13.607 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.574 5.238 -13.226 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.843 3.645 -13.194 1.00 0.00 H new ATOM 256 N VAL A 19 -7.738 2.960 -9.865 1.00 0.00 N ATOM 257 CA VAL A 19 -8.757 2.146 -9.223 1.00 0.00 C ATOM 258 C VAL A 19 -9.232 2.698 -7.875 1.00 0.00 C ATOM 259 O VAL A 19 -10.408 2.545 -7.543 1.00 0.00 O ATOM 260 CB VAL A 19 -8.249 0.697 -9.093 1.00 0.00 C ATOM 261 CG1 VAL A 19 -7.076 0.546 -8.109 1.00 0.00 C ATOM 262 CG2 VAL A 19 -9.390 -0.233 -8.676 1.00 0.00 C ATOM 0 H VAL A 19 -7.254 3.588 -9.223 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.639 2.171 -9.863 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.876 0.418 -10.079 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.769 -0.499 -8.067 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.238 1.157 -8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.389 0.873 -7.117 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.015 -1.253 -8.589 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.790 0.090 -7.715 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.179 -0.200 -9.427 1.00 0.00 H new ATOM 272 N CYS A 20 -8.349 3.281 -7.059 1.00 0.00 N ATOM 273 CA CYS A 20 -8.726 3.707 -5.723 1.00 0.00 C ATOM 274 C CYS A 20 -9.617 4.951 -5.865 1.00 0.00 C ATOM 275 O CYS A 20 -9.355 5.787 -6.728 1.00 0.00 O ATOM 276 CB CYS A 20 -7.476 3.957 -4.915 1.00 0.00 C ATOM 277 SG CYS A 20 -7.575 5.030 -3.461 1.00 0.00 S ATOM 0 H CYS A 20 -7.376 3.465 -7.305 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.294 2.945 -5.190 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.098 2.989 -4.585 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.729 4.380 -5.586 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.375 5.326 -3.058 1.00 0.00 H new ATOM 282 N PRO A 21 -10.670 5.091 -5.040 1.00 0.00 N ATOM 283 CA PRO A 21 -11.593 6.218 -5.026 1.00 0.00 C ATOM 284 C PRO A 21 -10.964 7.592 -5.286 1.00 0.00 C ATOM 285 O PRO A 21 -11.598 8.438 -5.913 1.00 0.00 O ATOM 286 CB PRO A 21 -12.254 6.162 -3.648 1.00 0.00 C ATOM 287 CG PRO A 21 -12.331 4.660 -3.380 1.00 0.00 C ATOM 288 CD PRO A 21 -11.051 4.127 -4.024 1.00 0.00 C ATOM 0 HA PRO A 21 -12.295 6.119 -5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.662 6.679 -2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.241 6.625 -3.652 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.366 4.442 -2.313 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -13.221 4.216 -3.825 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.261 4.013 -3.281 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.218 3.144 -4.465 1.00 0.00 H new ATOM 296 N VAL A 22 -9.748 7.827 -4.781 1.00 0.00 N ATOM 297 CA VAL A 22 -9.016 9.073 -4.980 1.00 0.00 C ATOM 298 C VAL A 22 -7.567 8.801 -5.414 1.00 0.00 C ATOM 299 O VAL A 22 -6.687 9.604 -5.110 1.00 0.00 O ATOM 300 CB VAL A 22 -9.106 9.928 -3.698 1.00 0.00 C ATOM 301 CG1 VAL A 22 -10.536 10.438 -3.475 1.00 0.00 C ATOM 302 CG2 VAL A 22 -8.648 9.153 -2.453 1.00 0.00 C ATOM 0 H VAL A 22 -9.242 7.145 -4.216 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.470 9.640 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.435 10.774 -3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.571 11.037 -2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.841 11.050 -4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.214 9.590 -3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.729 9.794 -1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.278 8.274 -2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.612 8.840 -2.580 1.00 0.00 H new ATOM 312 N ASP A 23 -7.335 7.682 -6.118 1.00 0.00 N ATOM 313 CA ASP A 23 -6.043 7.169 -6.580 1.00 0.00 C ATOM 314 C ASP A 23 -4.832 7.693 -5.806 1.00 0.00 C ATOM 315 O ASP A 23 -3.894 8.260 -6.363 1.00 0.00 O ATOM 316 CB ASP A 23 -5.928 7.204 -8.113 1.00 0.00 C ATOM 317 CG ASP A 23 -6.712 6.070 -8.785 1.00 0.00 C ATOM 318 OD1 ASP A 23 -6.513 4.891 -8.398 1.00 0.00 O ATOM 319 OD2 ASP A 23 -7.484 6.390 -9.711 1.00 0.00 O ATOM 0 H ASP A 23 -8.102 7.071 -6.397 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.020 6.111 -6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.295 8.163 -8.480 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.878 7.134 -8.397 1.00 0.00 H new ATOM 324 N CYS A 24 -4.814 7.398 -4.503 1.00 0.00 N ATOM 325 CA CYS A 24 -3.712 7.724 -3.602 1.00 0.00 C ATOM 326 C CYS A 24 -2.650 6.625 -3.639 1.00 0.00 C ATOM 327 O CYS A 24 -2.106 6.242 -2.600 1.00 0.00 O ATOM 328 CB CYS A 24 -4.245 7.974 -2.191 1.00 0.00 C ATOM 329 SG CYS A 24 -4.904 6.473 -1.426 1.00 0.00 S ATOM 0 H CYS A 24 -5.583 6.916 -4.038 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.230 8.643 -3.935 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.444 8.374 -1.569 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.027 8.732 -2.230 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.410 6.342 -0.231 1.00 0.00 H new ATOM 335 N ILE A 25 -2.364 6.131 -4.852 1.00 0.00 N ATOM 336 CA ILE A 25 -1.373 5.108 -5.143 1.00 0.00 C ATOM 337 C ILE A 25 -0.199 5.766 -5.882 1.00 0.00 C ATOM 338 O ILE A 25 -0.405 6.495 -6.849 1.00 0.00 O ATOM 339 CB ILE A 25 -1.994 3.887 -5.868 1.00 0.00 C ATOM 340 CG1 ILE A 25 -3.167 4.169 -6.828 1.00 0.00 C ATOM 341 CG2 ILE A 25 -2.519 2.893 -4.822 1.00 0.00 C ATOM 342 CD1 ILE A 25 -2.781 4.994 -8.056 1.00 0.00 C ATOM 0 H ILE A 25 -2.845 6.455 -5.691 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.981 4.683 -4.219 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.176 3.510 -6.482 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.589 3.220 -7.159 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.951 4.694 -6.283 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.957 2.032 -5.326 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.696 2.563 -4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.277 3.378 -4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.660 5.149 -8.681 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.388 5.959 -7.737 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.019 4.463 -8.627 1.00 0.00 H new ATOM 354 N HIS A 26 1.035 5.584 -5.395 1.00 0.00 N ATOM 355 CA HIS A 26 2.206 6.315 -5.844 1.00 0.00 C ATOM 356 C HIS A 26 3.401 5.395 -5.893 1.00 0.00 C ATOM 357 O HIS A 26 3.528 4.561 -5.009 1.00 0.00 O ATOM 358 CB HIS A 26 2.517 7.350 -4.769 1.00 0.00 C ATOM 359 CG HIS A 26 1.373 8.299 -4.519 1.00 0.00 C ATOM 360 ND1 HIS A 26 0.819 9.161 -5.440 1.00 0.00 N ATOM 361 CD2 HIS A 26 0.543 8.268 -3.433 1.00 0.00 C ATOM 362 CE1 HIS A 26 -0.304 9.662 -4.898 1.00 0.00 C ATOM 363 NE2 HIS A 26 -0.515 9.149 -3.675 1.00 0.00 N ATOM 0 H HIS A 26 1.242 4.907 -4.661 1.00 0.00 H new ATOM 0 HA HIS A 26 2.017 6.749 -6.826 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.767 6.838 -3.840 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.397 7.920 -5.065 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.680 7.669 -2.545 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.950 10.380 -5.381 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -1.292 9.360 -3.048 1.00 0.00 H new ATOM 371 N GLU A 27 4.321 5.566 -6.840 1.00 0.00 N ATOM 372 CA GLU A 27 5.566 4.829 -6.733 1.00 0.00 C ATOM 373 C GLU A 27 6.329 5.332 -5.522 1.00 0.00 C ATOM 374 O GLU A 27 6.727 6.494 -5.462 1.00 0.00 O ATOM 375 CB GLU A 27 6.411 4.917 -7.991 1.00 0.00 C ATOM 376 CG GLU A 27 5.770 4.024 -9.043 1.00 0.00 C ATOM 377 CD GLU A 27 6.423 4.212 -10.399 1.00 0.00 C ATOM 378 OE1 GLU A 27 7.671 4.281 -10.432 1.00 0.00 O ATOM 379 OE2 GLU A 27 5.681 4.203 -11.400 1.00 0.00 O ATOM 0 H GLU A 27 4.233 6.178 -7.651 1.00 0.00 H new ATOM 0 HA GLU A 27 5.329 3.772 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.464 5.947 -8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.433 4.596 -7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.855 2.981 -8.738 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.706 4.250 -9.115 1.00 0.00 H new ATOM 386 N GLY A 28 6.505 4.435 -4.563 1.00 0.00 N ATOM 387 CA GLY A 28 7.334 4.700 -3.407 1.00 0.00 C ATOM 388 C GLY A 28 8.780 4.642 -3.873 1.00 0.00 C ATOM 389 O GLY A 28 9.523 5.617 -3.787 1.00 0.00 O ATOM 0 H GLY A 28 6.078 3.509 -4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.104 5.678 -2.984 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.151 3.963 -2.625 1.00 0.00 H new ATOM 393 N GLU A 29 9.149 3.479 -4.404 1.00 0.00 N ATOM 394 CA GLU A 29 10.498 3.160 -4.824 1.00 0.00 C ATOM 395 C GLU A 29 10.420 2.744 -6.293 1.00 0.00 C ATOM 396 O GLU A 29 10.854 3.490 -7.169 1.00 0.00 O ATOM 397 CB GLU A 29 11.103 2.090 -3.891 1.00 0.00 C ATOM 398 CG GLU A 29 11.031 2.466 -2.396 1.00 0.00 C ATOM 399 CD GLU A 29 9.700 2.164 -1.700 1.00 0.00 C ATOM 400 OE1 GLU A 29 8.785 1.611 -2.350 1.00 0.00 O ATOM 401 OE2 GLU A 29 9.615 2.488 -0.495 1.00 0.00 O ATOM 0 H GLU A 29 8.492 2.713 -4.556 1.00 0.00 H new ATOM 0 HA GLU A 29 11.173 4.012 -4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.580 1.146 -4.046 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.145 1.926 -4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.824 1.937 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.238 3.532 -2.298 1.00 0.00 H new ATOM 408 N ASP A 30 9.816 1.582 -6.555 1.00 0.00 N ATOM 409 CA ASP A 30 9.503 1.092 -7.903 1.00 0.00 C ATOM 410 C ASP A 30 8.030 0.673 -8.069 1.00 0.00 C ATOM 411 O ASP A 30 7.433 0.878 -9.128 1.00 0.00 O ATOM 412 CB ASP A 30 10.432 -0.079 -8.238 1.00 0.00 C ATOM 413 CG ASP A 30 10.247 -0.516 -9.682 1.00 0.00 C ATOM 414 OD1 ASP A 30 10.367 0.365 -10.563 1.00 0.00 O ATOM 415 OD2 ASP A 30 9.929 -1.704 -9.890 1.00 0.00 O ATOM 0 H ASP A 30 9.523 0.939 -5.819 1.00 0.00 H new ATOM 0 HA ASP A 30 9.663 1.917 -8.598 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.469 0.214 -8.071 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.226 -0.916 -7.570 1.00 0.00 H new ATOM 420 N GLN A 31 7.474 0.069 -7.020 1.00 0.00 N ATOM 421 CA GLN A 31 6.112 -0.416 -6.859 1.00 0.00 C ATOM 422 C GLN A 31 5.207 0.694 -6.346 1.00 0.00 C ATOM 423 O GLN A 31 5.660 1.649 -5.711 1.00 0.00 O ATOM 424 CB GLN A 31 6.002 -1.590 -5.856 1.00 0.00 C ATOM 425 CG GLN A 31 7.241 -2.057 -5.094 1.00 0.00 C ATOM 426 CD GLN A 31 7.953 -0.956 -4.324 1.00 0.00 C ATOM 427 OE1 GLN A 31 9.012 -0.505 -4.748 1.00 0.00 O ATOM 428 NE2 GLN A 31 7.350 -0.470 -3.255 1.00 0.00 N ATOM 0 H GLN A 31 8.025 -0.109 -6.180 1.00 0.00 H new ATOM 0 HA GLN A 31 5.807 -0.760 -7.847 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.250 -1.316 -5.116 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.614 -2.449 -6.403 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.950 -2.842 -4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.942 -2.502 -5.801 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.470 -0.876 -2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.764 0.311 -2.747 1.00 0.00 H new ATOM 437 N TYR A 32 3.907 0.488 -6.556 1.00 0.00 N ATOM 438 CA TYR A 32 2.867 1.365 -6.067 1.00 0.00 C ATOM 439 C TYR A 32 2.660 1.131 -4.572 1.00 0.00 C ATOM 440 O TYR A 32 2.441 0.007 -4.119 1.00 0.00 O ATOM 441 CB TYR A 32 1.595 1.195 -6.898 1.00 0.00 C ATOM 442 CG TYR A 32 1.806 1.681 -8.315 1.00 0.00 C ATOM 443 CD1 TYR A 32 2.447 0.840 -9.243 1.00 0.00 C ATOM 444 CD2 TYR A 32 1.646 3.049 -8.606 1.00 0.00 C ATOM 445 CE1 TYR A 32 2.957 1.369 -10.440 1.00 0.00 C ATOM 446 CE2 TYR A 32 2.122 3.570 -9.821 1.00 0.00 C ATOM 447 CZ TYR A 32 2.797 2.733 -10.726 1.00 0.00 C ATOM 448 OH TYR A 32 3.308 3.244 -11.877 1.00 0.00 O ATOM 0 H TYR A 32 3.551 -0.310 -7.081 1.00 0.00 H new ATOM 0 HA TYR A 32 3.164 2.407 -6.183 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.301 0.145 -6.909 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.778 1.750 -6.437 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.547 -0.215 -9.034 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.157 3.698 -7.895 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.472 0.727 -11.139 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.969 4.612 -10.059 1.00 0.00 H new ATOM 0 HH TYR A 32 4.202 3.608 -11.705 1.00 0.00 H new ATOM 458 N TYR A 33 2.775 2.236 -3.846 1.00 0.00 N ATOM 459 CA TYR A 33 2.648 2.474 -2.427 1.00 0.00 C ATOM 460 C TYR A 33 1.315 3.201 -2.267 1.00 0.00 C ATOM 461 O TYR A 33 0.861 3.807 -3.234 1.00 0.00 O ATOM 462 CB TYR A 33 3.786 3.427 -2.023 1.00 0.00 C ATOM 463 CG TYR A 33 4.706 2.872 -0.968 1.00 0.00 C ATOM 464 CD1 TYR A 33 5.388 1.671 -1.227 1.00 0.00 C ATOM 465 CD2 TYR A 33 5.015 3.626 0.176 1.00 0.00 C ATOM 466 CE1 TYR A 33 6.406 1.244 -0.363 1.00 0.00 C ATOM 467 CE2 TYR A 33 6.036 3.193 1.037 1.00 0.00 C ATOM 468 CZ TYR A 33 6.785 2.051 0.720 1.00 0.00 C ATOM 469 OH TYR A 33 7.949 1.819 1.381 1.00 0.00 O ATOM 0 H TYR A 33 2.992 3.112 -4.320 1.00 0.00 H new ATOM 0 HA TYR A 33 2.692 1.565 -1.827 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.372 3.672 -2.909 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.353 4.359 -1.659 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.128 1.077 -2.091 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.471 4.533 0.392 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.897 0.297 -0.531 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.245 3.740 1.944 1.00 0.00 H new ATOM 0 HH TYR A 33 8.696 1.841 0.746 1.00 0.00 H new ATOM 479 N ILE A 34 0.708 3.193 -1.081 1.00 0.00 N ATOM 480 CA ILE A 34 -0.565 3.835 -0.812 1.00 0.00 C ATOM 481 C ILE A 34 -0.338 4.942 0.210 1.00 0.00 C ATOM 482 O ILE A 34 0.390 4.708 1.171 1.00 0.00 O ATOM 483 CB ILE A 34 -1.565 2.783 -0.283 1.00 0.00 C ATOM 484 CG1 ILE A 34 -2.082 1.917 -1.447 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.742 3.424 0.475 1.00 0.00 C ATOM 486 CD1 ILE A 34 -2.801 0.662 -0.959 1.00 0.00 C ATOM 0 H ILE A 34 1.103 2.727 -0.264 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.981 4.271 -1.720 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.032 2.154 0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.762 2.507 -2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.245 1.630 -2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.417 2.643 0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.362 3.987 1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.282 4.096 -0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.147 0.084 -1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.115 0.057 -0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.655 0.948 -0.345 1.00 0.00 H new ATOM 498 N ASP A 35 -0.940 6.128 0.038 1.00 0.00 N ATOM 499 CA ASP A 35 -0.940 7.086 1.141 1.00 0.00 C ATOM 500 C ASP A 35 -2.020 6.621 2.120 1.00 0.00 C ATOM 501 O ASP A 35 -3.200 6.693 1.771 1.00 0.00 O ATOM 502 CB ASP A 35 -1.254 8.533 0.736 1.00 0.00 C ATOM 503 CG ASP A 35 -0.950 9.457 1.911 1.00 0.00 C ATOM 504 OD1 ASP A 35 -1.128 9.040 3.071 1.00 0.00 O ATOM 505 OD2 ASP A 35 -0.451 10.582 1.719 1.00 0.00 O ATOM 0 H ASP A 35 -1.411 6.433 -0.814 1.00 0.00 H new ATOM 0 HA ASP A 35 0.066 7.105 1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.658 8.819 -0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.301 8.624 0.447 1.00 0.00 H new ATOM 510 N PRO A 36 -1.678 6.163 3.331 1.00 0.00 N ATOM 511 CA PRO A 36 -2.683 5.743 4.280 1.00 0.00 C ATOM 512 C PRO A 36 -3.564 6.922 4.686 1.00 0.00 C ATOM 513 O PRO A 36 -4.731 6.752 5.010 1.00 0.00 O ATOM 514 CB PRO A 36 -1.911 5.191 5.477 1.00 0.00 C ATOM 515 CG PRO A 36 -0.566 5.914 5.418 1.00 0.00 C ATOM 516 CD PRO A 36 -0.354 6.104 3.919 1.00 0.00 C ATOM 0 HA PRO A 36 -3.351 4.992 3.860 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.431 5.392 6.414 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.786 4.110 5.407 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.595 6.867 5.947 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.232 5.323 5.868 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.203 7.019 3.717 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.223 5.280 3.499 1.00 0.00 H new ATOM 524 N ASP A 37 -3.010 8.129 4.697 1.00 0.00 N ATOM 525 CA ASP A 37 -3.703 9.295 5.202 1.00 0.00 C ATOM 526 C ASP A 37 -4.667 9.837 4.144 1.00 0.00 C ATOM 527 O ASP A 37 -5.634 10.503 4.505 1.00 0.00 O ATOM 528 CB ASP A 37 -2.675 10.313 5.706 1.00 0.00 C ATOM 529 CG ASP A 37 -1.703 9.640 6.668 1.00 0.00 C ATOM 530 OD1 ASP A 37 -2.172 9.059 7.669 1.00 0.00 O ATOM 531 OD2 ASP A 37 -0.489 9.622 6.367 1.00 0.00 O ATOM 0 H ASP A 37 -2.068 8.321 4.355 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.328 9.039 6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.130 10.739 4.864 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.183 11.137 6.207 1.00 0.00 H new ATOM 536 N VAL A 38 -4.434 9.542 2.854 1.00 0.00 N ATOM 537 CA VAL A 38 -5.418 9.834 1.812 1.00 0.00 C ATOM 538 C VAL A 38 -6.376 8.646 1.609 1.00 0.00 C ATOM 539 O VAL A 38 -7.532 8.861 1.245 1.00 0.00 O ATOM 540 CB VAL A 38 -4.743 10.340 0.520 1.00 0.00 C ATOM 541 CG1 VAL A 38 -5.789 10.800 -0.504 1.00 0.00 C ATOM 542 CG2 VAL A 38 -3.802 11.521 0.817 1.00 0.00 C ATOM 0 H VAL A 38 -3.577 9.105 2.515 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.046 10.662 2.142 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.171 9.507 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.286 11.152 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.443 9.965 -0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.382 11.610 -0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.339 11.859 -0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.372 12.339 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.027 11.202 1.515 1.00 0.00 H new ATOM 552 N CYS A 39 -5.944 7.401 1.854 1.00 0.00 N ATOM 553 CA CYS A 39 -6.839 6.245 1.815 1.00 0.00 C ATOM 554 C CYS A 39 -7.990 6.419 2.819 1.00 0.00 C ATOM 555 O CYS A 39 -7.770 6.700 3.994 1.00 0.00 O ATOM 556 CB CYS A 39 -6.078 4.972 2.093 1.00 0.00 C ATOM 557 SG CYS A 39 -7.112 3.504 2.324 1.00 0.00 S ATOM 0 H CYS A 39 -4.976 7.172 2.082 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.265 6.176 0.814 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.391 4.789 1.267 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.471 5.116 2.987 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.361 2.443 2.342 1.00 0.00 H new ATOM 562 N ILE A 40 -9.230 6.239 2.354 1.00 0.00 N ATOM 563 CA ILE A 40 -10.440 6.403 3.152 1.00 0.00 C ATOM 564 C ILE A 40 -10.963 5.051 3.666 1.00 0.00 C ATOM 565 O ILE A 40 -12.174 4.854 3.736 1.00 0.00 O ATOM 566 CB ILE A 40 -11.489 7.192 2.333 1.00 0.00 C ATOM 567 CG1 ILE A 40 -11.767 6.538 0.965 1.00 0.00 C ATOM 568 CG2 ILE A 40 -11.002 8.635 2.128 1.00 0.00 C ATOM 569 CD1 ILE A 40 -13.088 7.004 0.341 1.00 0.00 C ATOM 0 H ILE A 40 -9.420 5.969 1.389 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.213 6.983 4.046 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.422 7.186 2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -10.948 6.768 0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -11.788 5.455 1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -11.742 9.190 1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.864 9.114 3.098 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -10.054 8.626 1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -13.230 6.510 -0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -13.914 6.750 1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -13.060 8.084 0.194 1.00 0.00 H new ATOM 581 N ASP A 41 -10.056 4.130 4.030 1.00 0.00 N ATOM 582 CA ASP A 41 -10.350 2.802 4.585 1.00 0.00 C ATOM 583 C ASP A 41 -11.505 2.110 3.847 1.00 0.00 C ATOM 584 O ASP A 41 -12.510 1.725 4.445 1.00 0.00 O ATOM 585 CB ASP A 41 -10.597 2.871 6.105 1.00 0.00 C ATOM 586 CG ASP A 41 -9.330 2.831 6.939 1.00 0.00 C ATOM 587 OD1 ASP A 41 -8.580 1.827 6.871 1.00 0.00 O ATOM 588 OD2 ASP A 41 -9.090 3.804 7.678 1.00 0.00 O ATOM 0 H ASP A 41 -9.054 4.300 3.941 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.466 2.184 4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.141 3.788 6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.238 2.039 6.397 1.00 0.00 H new ATOM 593 N CYS A 42 -11.349 1.943 2.533 1.00 0.00 N ATOM 594 CA CYS A 42 -12.345 1.294 1.691 1.00 0.00 C ATOM 595 C CYS A 42 -12.066 -0.211 1.540 1.00 0.00 C ATOM 596 O CYS A 42 -11.134 -0.742 2.144 1.00 0.00 O ATOM 597 CB CYS A 42 -12.437 2.007 0.364 1.00 0.00 C ATOM 598 SG CYS A 42 -11.397 1.350 -0.958 1.00 0.00 S ATOM 0 H CYS A 42 -10.523 2.257 2.024 1.00 0.00 H new ATOM 0 HA CYS A 42 -13.319 1.367 2.175 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -13.474 1.981 0.031 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -12.178 3.054 0.518 1.00 0.00 H new ATOM 0 HG CYS A 42 -11.574 2.051 -2.039 1.00 0.00 H new ATOM 603 N GLY A 43 -12.883 -0.895 0.730 1.00 0.00 N ATOM 604 CA GLY A 43 -12.693 -2.285 0.334 1.00 0.00 C ATOM 605 C GLY A 43 -12.391 -2.360 -1.161 1.00 0.00 C ATOM 606 O GLY A 43 -13.225 -2.811 -1.945 1.00 0.00 O ATOM 0 H GLY A 43 -13.720 -0.478 0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.874 -2.726 0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.588 -2.864 0.563 1.00 0.00 H new ATOM 610 N ALA A 44 -11.213 -1.880 -1.556 1.00 0.00 N ATOM 611 CA ALA A 44 -10.647 -1.993 -2.893 1.00 0.00 C ATOM 612 C ALA A 44 -9.152 -1.719 -2.759 1.00 0.00 C ATOM 613 O ALA A 44 -8.750 -1.146 -1.746 1.00 0.00 O ATOM 614 CB ALA A 44 -11.312 -1.005 -3.859 1.00 0.00 C ATOM 0 H ALA A 44 -10.598 -1.376 -0.917 1.00 0.00 H new ATOM 0 HA ALA A 44 -10.821 -2.986 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -10.870 -1.111 -4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.380 -1.213 -3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -11.159 0.013 -3.501 1.00 0.00 H new ATOM 620 N CYS A 45 -8.368 -2.115 -3.771 1.00 0.00 N ATOM 621 CA CYS A 45 -6.904 -2.163 -3.836 1.00 0.00 C ATOM 622 C CYS A 45 -6.353 -3.381 -3.082 1.00 0.00 C ATOM 623 O CYS A 45 -5.669 -4.214 -3.679 1.00 0.00 O ATOM 624 CB CYS A 45 -6.208 -0.855 -3.521 1.00 0.00 C ATOM 625 SG CYS A 45 -5.906 -0.478 -1.777 1.00 0.00 S ATOM 0 H CYS A 45 -8.783 -2.439 -4.645 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.650 -2.308 -4.886 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.249 -0.849 -4.039 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.803 -0.045 -3.944 1.00 0.00 H new ATOM 0 HG CYS A 45 -7.014 -0.599 -1.109 1.00 0.00 H new ATOM 630 N GLU A 46 -6.707 -3.544 -1.805 1.00 0.00 N ATOM 631 CA GLU A 46 -6.325 -4.697 -0.996 1.00 0.00 C ATOM 632 C GLU A 46 -6.565 -6.021 -1.733 1.00 0.00 C ATOM 633 O GLU A 46 -5.656 -6.836 -1.876 1.00 0.00 O ATOM 634 CB GLU A 46 -6.969 -4.661 0.407 1.00 0.00 C ATOM 635 CG GLU A 46 -8.266 -3.849 0.587 1.00 0.00 C ATOM 636 CD GLU A 46 -9.466 -4.423 -0.154 1.00 0.00 C ATOM 637 OE1 GLU A 46 -9.470 -4.320 -1.400 1.00 0.00 O ATOM 638 OE2 GLU A 46 -10.357 -4.968 0.529 1.00 0.00 O ATOM 0 H GLU A 46 -7.276 -2.866 -1.299 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.249 -4.633 -0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.174 -5.689 0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.229 -4.267 1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.502 -3.792 1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.094 -2.829 0.243 1.00 0.00 H new ATOM 645 N ALA A 47 -7.782 -6.221 -2.233 1.00 0.00 N ATOM 646 CA ALA A 47 -8.188 -7.414 -2.955 1.00 0.00 C ATOM 647 C ALA A 47 -7.536 -7.498 -4.338 1.00 0.00 C ATOM 648 O ALA A 47 -7.495 -8.577 -4.927 1.00 0.00 O ATOM 649 CB ALA A 47 -9.714 -7.425 -3.075 1.00 0.00 C ATOM 0 H ALA A 47 -8.531 -5.535 -2.142 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.852 -8.288 -2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.030 -8.317 -3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.157 -7.428 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.043 -6.537 -3.616 1.00 0.00 H new ATOM 655 N VAL A 48 -7.054 -6.377 -4.885 1.00 0.00 N ATOM 656 CA VAL A 48 -6.440 -6.353 -6.197 1.00 0.00 C ATOM 657 C VAL A 48 -5.041 -6.959 -6.125 1.00 0.00 C ATOM 658 O VAL A 48 -4.650 -7.660 -7.056 1.00 0.00 O ATOM 659 CB VAL A 48 -6.460 -4.924 -6.762 1.00 0.00 C ATOM 660 CG1 VAL A 48 -5.784 -4.865 -8.131 1.00 0.00 C ATOM 661 CG2 VAL A 48 -7.906 -4.419 -6.871 1.00 0.00 C ATOM 0 H VAL A 48 -7.083 -5.468 -4.424 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.011 -6.967 -6.893 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.905 -4.282 -6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.813 -3.842 -8.507 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.747 -5.189 -8.039 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.309 -5.521 -8.825 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.908 -3.406 -7.272 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.471 -5.073 -7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.367 -4.419 -5.883 1.00 0.00 H new ATOM 671 N CYS A 49 -4.284 -6.707 -5.049 1.00 0.00 N ATOM 672 CA CYS A 49 -2.940 -7.261 -4.903 1.00 0.00 C ATOM 673 C CYS A 49 -3.021 -8.799 -4.881 1.00 0.00 C ATOM 674 O CYS A 49 -3.489 -9.365 -3.891 1.00 0.00 O ATOM 675 CB CYS A 49 -2.280 -6.719 -3.650 1.00 0.00 C ATOM 676 SG CYS A 49 -0.498 -6.876 -3.527 1.00 0.00 S ATOM 0 H CYS A 49 -4.584 -6.122 -4.269 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.325 -6.961 -5.751 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.532 -5.662 -3.566 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.723 -7.222 -2.791 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.047 -6.024 -2.655 1.00 0.00 H new ATOM 681 N PRO A 50 -2.546 -9.520 -5.914 1.00 0.00 N ATOM 682 CA PRO A 50 -2.693 -10.972 -5.977 1.00 0.00 C ATOM 683 C PRO A 50 -1.823 -11.700 -4.942 1.00 0.00 C ATOM 684 O PRO A 50 -1.830 -12.927 -4.889 1.00 0.00 O ATOM 685 CB PRO A 50 -2.322 -11.361 -7.411 1.00 0.00 C ATOM 686 CG PRO A 50 -1.403 -10.236 -7.892 1.00 0.00 C ATOM 687 CD PRO A 50 -1.815 -9.015 -7.068 1.00 0.00 C ATOM 0 HA PRO A 50 -3.712 -11.270 -5.731 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.816 -12.326 -7.441 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.208 -11.445 -8.040 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.354 -10.486 -7.731 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.527 -10.053 -8.959 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.940 -8.446 -6.754 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.438 -8.342 -7.657 1.00 0.00 H new ATOM 695 N VAL A 51 -1.065 -10.949 -4.140 1.00 0.00 N ATOM 696 CA VAL A 51 -0.121 -11.444 -3.155 1.00 0.00 C ATOM 697 C VAL A 51 -0.671 -11.207 -1.741 1.00 0.00 C ATOM 698 O VAL A 51 -0.245 -11.873 -0.800 1.00 0.00 O ATOM 699 CB VAL A 51 1.252 -10.767 -3.386 1.00 0.00 C ATOM 700 CG1 VAL A 51 1.391 -10.143 -4.786 1.00 0.00 C ATOM 701 CG2 VAL A 51 1.544 -9.654 -2.379 1.00 0.00 C ATOM 0 H VAL A 51 -1.100 -9.930 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 51 0.019 -12.520 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 51 1.963 -11.584 -3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.375 -9.685 -4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.275 -10.918 -5.543 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.622 -9.383 -4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.520 -9.218 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.777 -8.883 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.543 -10.067 -1.370 1.00 0.00 H new ATOM 711 N SER A 52 -1.579 -10.232 -1.577 1.00 0.00 N ATOM 712 CA SER A 52 -2.036 -9.752 -0.280 1.00 0.00 C ATOM 713 C SER A 52 -0.866 -9.184 0.537 1.00 0.00 C ATOM 714 O SER A 52 -0.623 -9.619 1.661 1.00 0.00 O ATOM 715 CB SER A 52 -2.803 -10.859 0.463 1.00 0.00 C ATOM 716 OG SER A 52 -3.477 -10.330 1.588 1.00 0.00 O ATOM 0 H SER A 52 -2.019 -9.752 -2.362 1.00 0.00 H new ATOM 0 HA SER A 52 -2.735 -8.929 -0.431 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.521 -11.326 -0.211 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.110 -11.638 0.781 1.00 0.00 H new ATOM 0 HG SER A 52 -2.824 -9.952 2.213 1.00 0.00 H new ATOM 722 N ALA A 53 -0.156 -8.192 -0.014 1.00 0.00 N ATOM 723 CA ALA A 53 0.890 -7.447 0.690 1.00 0.00 C ATOM 724 C ALA A 53 0.310 -6.225 1.401 1.00 0.00 C ATOM 725 O ALA A 53 0.925 -5.682 2.322 1.00 0.00 O ATOM 726 CB ALA A 53 1.952 -6.975 -0.302 1.00 0.00 C ATOM 0 H ALA A 53 -0.296 -7.881 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 53 1.333 -8.114 1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.726 -6.422 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.397 -7.838 -0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.491 -6.328 -1.048 1.00 0.00 H new ATOM 732 N ILE A 54 -0.849 -5.764 0.929 1.00 0.00 N ATOM 733 CA ILE A 54 -1.548 -4.627 1.487 1.00 0.00 C ATOM 734 C ILE A 54 -2.268 -5.108 2.744 1.00 0.00 C ATOM 735 O ILE A 54 -3.108 -6.003 2.661 1.00 0.00 O ATOM 736 CB ILE A 54 -2.521 -4.043 0.446 1.00 0.00 C ATOM 737 CG1 ILE A 54 -1.776 -3.670 -0.850 1.00 0.00 C ATOM 738 CG2 ILE A 54 -3.244 -2.841 1.075 1.00 0.00 C ATOM 739 CD1 ILE A 54 -2.701 -3.196 -1.977 1.00 0.00 C ATOM 0 H ILE A 54 -1.329 -6.185 0.133 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.859 -3.825 1.752 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.266 -4.787 0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.053 -2.884 -0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.210 -4.535 -1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.938 -2.414 0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.795 -3.168 1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.512 -2.087 1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.106 -2.951 -2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.407 -3.988 -2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.248 -2.311 -1.651 1.00 0.00 H new ATOM 751 N TYR A 55 -1.935 -4.540 3.903 1.00 0.00 N ATOM 752 CA TYR A 55 -2.568 -4.851 5.171 1.00 0.00 C ATOM 753 C TYR A 55 -3.002 -3.549 5.816 1.00 0.00 C ATOM 754 O TYR A 55 -2.568 -2.478 5.402 1.00 0.00 O ATOM 755 CB TYR A 55 -1.551 -5.539 6.073 1.00 0.00 C ATOM 756 CG TYR A 55 -1.186 -6.943 5.640 1.00 0.00 C ATOM 757 CD1 TYR A 55 -2.162 -7.956 5.662 1.00 0.00 C ATOM 758 CD2 TYR A 55 0.099 -7.217 5.137 1.00 0.00 C ATOM 759 CE1 TYR A 55 -1.857 -9.237 5.172 1.00 0.00 C ATOM 760 CE2 TYR A 55 0.397 -8.494 4.632 1.00 0.00 C ATOM 761 CZ TYR A 55 -0.580 -9.503 4.655 1.00 0.00 C ATOM 762 OH TYR A 55 -0.331 -10.706 4.072 1.00 0.00 O ATOM 0 H TYR A 55 -1.201 -3.836 3.981 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.427 -5.504 5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.645 -4.934 6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.948 -5.576 7.087 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.146 -7.749 6.056 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.856 -6.446 5.139 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.605 -10.016 5.193 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.377 -8.700 4.226 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.422 -10.623 3.100 1.00 0.00 H new ATOM 772 N HIS A 56 -3.830 -3.627 6.853 1.00 0.00 N ATOM 773 CA HIS A 56 -4.154 -2.440 7.621 1.00 0.00 C ATOM 774 C HIS A 56 -2.919 -1.996 8.387 1.00 0.00 C ATOM 775 O HIS A 56 -2.153 -2.836 8.860 1.00 0.00 O ATOM 776 CB HIS A 56 -5.313 -2.722 8.578 1.00 0.00 C ATOM 777 CG HIS A 56 -6.074 -1.479 8.958 1.00 0.00 C ATOM 778 ND1 HIS A 56 -6.222 -0.991 10.231 1.00 0.00 N ATOM 779 CD2 HIS A 56 -6.664 -0.586 8.103 1.00 0.00 C ATOM 780 CE1 HIS A 56 -6.859 0.188 10.148 1.00 0.00 C ATOM 781 NE2 HIS A 56 -7.131 0.491 8.866 1.00 0.00 N ATOM 0 H HIS A 56 -4.279 -4.485 7.173 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.466 -1.642 6.947 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.996 -3.433 8.114 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.926 -3.195 9.480 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -5.905 -1.443 11.088 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -6.753 -0.694 7.032 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.117 0.808 10.994 1.00 0.00 H new ATOM 789 N GLU A 57 -2.721 -0.689 8.542 1.00 0.00 N ATOM 790 CA GLU A 57 -1.594 -0.182 9.289 1.00 0.00 C ATOM 791 C GLU A 57 -1.468 -0.804 10.677 1.00 0.00 C ATOM 792 O GLU A 57 -0.373 -1.163 11.107 1.00 0.00 O ATOM 793 CB GLU A 57 -1.658 1.341 9.289 1.00 0.00 C ATOM 794 CG GLU A 57 -2.866 1.860 10.043 1.00 0.00 C ATOM 795 CD GLU A 57 -3.264 3.275 9.647 1.00 0.00 C ATOM 796 OE1 GLU A 57 -2.378 4.166 9.588 1.00 0.00 O ATOM 797 OE2 GLU A 57 -4.473 3.430 9.382 1.00 0.00 O ATOM 0 H GLU A 57 -3.332 0.031 8.157 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.668 -0.483 8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.750 1.742 9.740 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.690 1.702 8.261 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.709 1.191 9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.656 1.835 11.112 1.00 0.00 H new ATOM 804 N ASP A 58 -2.605 -0.974 11.345 1.00 0.00 N ATOM 805 CA ASP A 58 -2.668 -1.593 12.653 1.00 0.00 C ATOM 806 C ASP A 58 -2.478 -3.117 12.608 1.00 0.00 C ATOM 807 O ASP A 58 -2.168 -3.717 13.634 1.00 0.00 O ATOM 808 CB ASP A 58 -3.943 -1.142 13.381 1.00 0.00 C ATOM 809 CG ASP A 58 -5.029 -2.204 13.414 1.00 0.00 C ATOM 810 OD1 ASP A 58 -5.529 -2.503 12.311 1.00 0.00 O ATOM 811 OD2 ASP A 58 -5.352 -2.678 14.521 1.00 0.00 O ATOM 0 H ASP A 58 -3.513 -0.681 10.985 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.818 -1.246 13.241 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.689 -0.862 14.403 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.334 -0.249 12.893 1.00 0.00 H new ATOM 816 N PHE A 59 -2.608 -3.752 11.435 1.00 0.00 N ATOM 817 CA PHE A 59 -2.374 -5.183 11.311 1.00 0.00 C ATOM 818 C PHE A 59 -0.878 -5.452 11.163 1.00 0.00 C ATOM 819 O PHE A 59 -0.389 -6.502 11.575 1.00 0.00 O ATOM 820 CB PHE A 59 -3.104 -5.729 10.079 1.00 0.00 C ATOM 821 CG PHE A 59 -4.596 -5.985 10.183 1.00 0.00 C ATOM 822 CD1 PHE A 59 -5.368 -5.446 11.231 1.00 0.00 C ATOM 823 CD2 PHE A 59 -5.226 -6.753 9.185 1.00 0.00 C ATOM 824 CE1 PHE A 59 -6.761 -5.619 11.245 1.00 0.00 C ATOM 825 CE2 PHE A 59 -6.618 -6.952 9.215 1.00 0.00 C ATOM 826 CZ PHE A 59 -7.389 -6.371 10.238 1.00 0.00 C ATOM 0 H PHE A 59 -2.874 -3.291 10.565 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.750 -5.678 12.206 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.943 -5.029 9.259 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.625 -6.666 9.796 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.886 -4.897 12.027 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.637 -7.191 8.393 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.351 -5.173 12.032 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.095 -7.551 8.453 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.461 -6.503 10.249 1.00 0.00 H new ATOM 836 N VAL A 60 -0.165 -4.546 10.496 1.00 0.00 N ATOM 837 CA VAL A 60 1.221 -4.775 10.121 1.00 0.00 C ATOM 838 C VAL A 60 2.112 -4.952 11.367 1.00 0.00 C ATOM 839 O VAL A 60 2.073 -4.098 12.254 1.00 0.00 O ATOM 840 CB VAL A 60 1.675 -3.644 9.182 1.00 0.00 C ATOM 841 CG1 VAL A 60 3.188 -3.699 8.961 1.00 0.00 C ATOM 842 CG2 VAL A 60 0.967 -3.840 7.836 1.00 0.00 C ATOM 0 H VAL A 60 -0.532 -3.640 10.204 1.00 0.00 H new ATOM 0 HA VAL A 60 1.318 -5.712 9.572 1.00 0.00 H new ATOM 0 HB VAL A 60 1.426 -2.679 9.624 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.488 -2.891 8.294 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.700 -3.589 9.917 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.456 -4.656 8.514 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.270 -3.051 7.147 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.240 -4.810 7.419 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.112 -3.799 7.983 1.00 0.00 H new ATOM 852 N PRO A 61 2.912 -6.036 11.453 1.00 0.00 N ATOM 853 CA PRO A 61 3.849 -6.262 12.549 1.00 0.00 C ATOM 854 C PRO A 61 4.801 -5.085 12.759 1.00 0.00 C ATOM 855 O PRO A 61 5.170 -4.410 11.799 1.00 0.00 O ATOM 856 CB PRO A 61 4.638 -7.520 12.177 1.00 0.00 C ATOM 857 CG PRO A 61 3.681 -8.282 11.267 1.00 0.00 C ATOM 858 CD PRO A 61 2.947 -7.163 10.532 1.00 0.00 C ATOM 0 HA PRO A 61 3.305 -6.375 13.487 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.568 -7.274 11.665 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.904 -8.103 13.059 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.214 -8.937 10.578 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.995 -8.909 11.836 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.463 -6.898 9.609 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.939 -7.473 10.255 1.00 0.00 H new ATOM 866 N GLU A 62 5.222 -4.856 14.005 1.00 0.00 N ATOM 867 CA GLU A 62 6.086 -3.751 14.403 1.00 0.00 C ATOM 868 C GLU A 62 7.341 -3.676 13.527 1.00 0.00 C ATOM 869 O GLU A 62 7.697 -2.605 13.039 1.00 0.00 O ATOM 870 CB GLU A 62 6.409 -3.901 15.895 1.00 0.00 C ATOM 871 CG GLU A 62 7.122 -2.680 16.494 1.00 0.00 C ATOM 872 CD GLU A 62 6.257 -1.434 16.409 1.00 0.00 C ATOM 873 OE1 GLU A 62 5.199 -1.389 17.076 1.00 0.00 O ATOM 874 OE2 GLU A 62 6.575 -0.528 15.608 1.00 0.00 O ATOM 0 H GLU A 62 4.960 -5.456 14.787 1.00 0.00 H new ATOM 0 HA GLU A 62 5.572 -2.802 14.252 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.483 -4.076 16.443 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.035 -4.782 16.036 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.374 -2.879 17.536 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.060 -2.510 15.966 1.00 0.00 H new ATOM 881 N GLU A 63 7.964 -4.823 13.257 1.00 0.00 N ATOM 882 CA GLU A 63 9.069 -4.973 12.320 1.00 0.00 C ATOM 883 C GLU A 63 8.833 -4.151 11.044 1.00 0.00 C ATOM 884 O GLU A 63 9.727 -3.461 10.551 1.00 0.00 O ATOM 885 CB GLU A 63 9.249 -6.459 11.973 1.00 0.00 C ATOM 886 CG GLU A 63 9.376 -7.384 13.199 1.00 0.00 C ATOM 887 CD GLU A 63 8.044 -7.991 13.640 1.00 0.00 C ATOM 888 OE1 GLU A 63 7.220 -7.224 14.186 1.00 0.00 O ATOM 889 OE2 GLU A 63 7.864 -9.203 13.404 1.00 0.00 O ATOM 0 H GLU A 63 7.701 -5.702 13.702 1.00 0.00 H new ATOM 0 HA GLU A 63 9.977 -4.597 12.792 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.400 -6.785 11.372 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.139 -6.571 11.354 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.075 -8.188 12.968 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.802 -6.820 14.028 1.00 0.00 H new ATOM 896 N TRP A 64 7.607 -4.233 10.524 1.00 0.00 N ATOM 897 CA TRP A 64 7.174 -3.609 9.289 1.00 0.00 C ATOM 898 C TRP A 64 6.345 -2.339 9.529 1.00 0.00 C ATOM 899 O TRP A 64 6.009 -1.659 8.562 1.00 0.00 O ATOM 900 CB TRP A 64 6.430 -4.660 8.456 1.00 0.00 C ATOM 901 CG TRP A 64 7.257 -5.743 7.817 1.00 0.00 C ATOM 902 CD1 TRP A 64 8.607 -5.753 7.671 1.00 0.00 C ATOM 903 CD2 TRP A 64 6.782 -6.951 7.143 1.00 0.00 C ATOM 904 NE1 TRP A 64 8.986 -6.867 6.954 1.00 0.00 N ATOM 905 CE2 TRP A 64 7.908 -7.644 6.615 1.00 0.00 C ATOM 906 CE3 TRP A 64 5.512 -7.517 6.887 1.00 0.00 C ATOM 907 CZ2 TRP A 64 7.793 -8.819 5.865 1.00 0.00 C ATOM 908 CZ3 TRP A 64 5.380 -8.669 6.086 1.00 0.00 C ATOM 909 CH2 TRP A 64 6.518 -9.292 5.539 1.00 0.00 C ATOM 0 H TRP A 64 6.862 -4.761 10.978 1.00 0.00 H new ATOM 0 HA TRP A 64 8.045 -3.263 8.732 1.00 0.00 H new ATOM 0 HB2 TRP A 64 5.688 -5.136 9.097 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.885 -4.142 7.667 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.281 -5.003 8.058 1.00 0.00 H new ATOM 0 HE1 TRP A 64 9.951 -7.087 6.706 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.630 -7.060 7.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 8.675 -9.353 5.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 4.399 -9.077 5.890 1.00 0.00 H new ATOM 0 HH2 TRP A 64 6.407 -10.132 4.870 1.00 0.00 H new ATOM 920 N LYS A 65 6.070 -1.932 10.777 1.00 0.00 N ATOM 921 CA LYS A 65 5.484 -0.641 11.072 1.00 0.00 C ATOM 922 C LYS A 65 6.412 0.487 10.597 1.00 0.00 C ATOM 923 O LYS A 65 5.970 1.610 10.347 1.00 0.00 O ATOM 924 CB LYS A 65 5.111 -0.599 12.555 1.00 0.00 C ATOM 925 CG LYS A 65 3.763 -1.313 12.772 1.00 0.00 C ATOM 926 CD LYS A 65 3.135 -1.224 14.173 1.00 0.00 C ATOM 927 CE LYS A 65 3.071 0.201 14.744 1.00 0.00 C ATOM 928 NZ LYS A 65 4.240 0.502 15.594 1.00 0.00 N ATOM 0 H LYS A 65 6.253 -2.500 11.604 1.00 0.00 H new ATOM 0 HA LYS A 65 4.558 -0.484 10.519 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.888 -1.080 13.149 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.045 0.435 12.894 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.048 -0.909 12.056 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.897 -2.367 12.529 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.126 -1.633 14.133 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.707 -1.852 14.856 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.022 0.919 13.925 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.157 0.319 15.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.205 1.498 15.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.226 -0.112 16.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.114 0.332 15.056 1.00 0.00 H new ATOM 942 N SER A 66 7.691 0.171 10.391 1.00 0.00 N ATOM 943 CA SER A 66 8.643 1.022 9.707 1.00 0.00 C ATOM 944 C SER A 66 8.053 1.460 8.356 1.00 0.00 C ATOM 945 O SER A 66 8.089 2.640 8.003 1.00 0.00 O ATOM 946 CB SER A 66 9.920 0.192 9.525 1.00 0.00 C ATOM 947 OG SER A 66 9.558 -1.114 9.094 1.00 0.00 O ATOM 0 H SER A 66 8.096 -0.710 10.707 1.00 0.00 H new ATOM 0 HA SER A 66 8.867 1.928 10.271 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.576 0.663 8.793 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.474 0.140 10.462 1.00 0.00 H new ATOM 0 HG SER A 66 9.725 -1.755 9.816 1.00 0.00 H new ATOM 953 N TYR A 67 7.459 0.525 7.608 1.00 0.00 N ATOM 954 CA TYR A 67 6.793 0.865 6.364 1.00 0.00 C ATOM 955 C TYR A 67 5.575 1.746 6.601 1.00 0.00 C ATOM 956 O TYR A 67 5.287 2.574 5.750 1.00 0.00 O ATOM 957 CB TYR A 67 6.360 -0.358 5.557 1.00 0.00 C ATOM 958 CG TYR A 67 7.485 -1.164 4.939 1.00 0.00 C ATOM 959 CD1 TYR A 67 8.024 -0.760 3.705 1.00 0.00 C ATOM 960 CD2 TYR A 67 7.965 -2.332 5.559 1.00 0.00 C ATOM 961 CE1 TYR A 67 9.039 -1.514 3.095 1.00 0.00 C ATOM 962 CE2 TYR A 67 8.983 -3.088 4.948 1.00 0.00 C ATOM 963 CZ TYR A 67 9.525 -2.676 3.717 1.00 0.00 C ATOM 964 OH TYR A 67 10.509 -3.392 3.106 1.00 0.00 O ATOM 0 H TYR A 67 7.430 -0.466 7.847 1.00 0.00 H new ATOM 0 HA TYR A 67 7.539 1.409 5.785 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.781 -1.014 6.207 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.693 -0.028 4.761 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.656 0.134 3.224 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.552 -2.649 6.505 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.447 -1.200 2.146 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.348 -3.985 5.425 1.00 0.00 H new ATOM 0 HH TYR A 67 10.740 -4.168 3.658 1.00 0.00 H new ATOM 974 N ILE A 68 4.829 1.595 7.700 1.00 0.00 N ATOM 975 CA ILE A 68 3.677 2.437 7.960 1.00 0.00 C ATOM 976 C ILE A 68 4.174 3.867 8.110 1.00 0.00 C ATOM 977 O ILE A 68 3.655 4.782 7.469 1.00 0.00 O ATOM 978 CB ILE A 68 2.920 1.892 9.182 1.00 0.00 C ATOM 979 CG1 ILE A 68 2.006 0.718 8.812 1.00 0.00 C ATOM 980 CG2 ILE A 68 2.063 2.972 9.834 1.00 0.00 C ATOM 981 CD1 ILE A 68 2.682 -0.430 8.067 1.00 0.00 C ATOM 0 H ILE A 68 5.010 0.894 8.419 1.00 0.00 H new ATOM 0 HA ILE A 68 2.957 2.431 7.142 1.00 0.00 H new ATOM 0 HB ILE A 68 3.684 1.551 9.881 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.562 0.324 9.726 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.189 1.096 8.198 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.542 2.553 10.694 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.700 3.794 10.161 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.334 3.342 9.113 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.948 -1.207 7.853 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.101 -0.060 7.131 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.480 -0.844 8.683 1.00 0.00 H new ATOM 993 N GLN A 69 5.223 4.045 8.914 1.00 0.00 N ATOM 994 CA GLN A 69 5.890 5.327 9.025 1.00 0.00 C ATOM 995 C GLN A 69 6.281 5.835 7.632 1.00 0.00 C ATOM 996 O GLN A 69 5.979 6.972 7.289 1.00 0.00 O ATOM 997 CB GLN A 69 7.097 5.202 9.959 1.00 0.00 C ATOM 998 CG GLN A 69 7.674 6.571 10.339 1.00 0.00 C ATOM 999 CD GLN A 69 7.008 7.147 11.582 1.00 0.00 C ATOM 1000 OE1 GLN A 69 7.242 6.678 12.690 1.00 0.00 O ATOM 1001 NE2 GLN A 69 6.180 8.175 11.421 1.00 0.00 N ATOM 0 H GLN A 69 5.624 3.310 9.497 1.00 0.00 H new ATOM 0 HA GLN A 69 5.214 6.063 9.460 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.802 4.669 10.863 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.870 4.605 9.475 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.746 6.477 10.513 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.546 7.262 9.506 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.003 8.546 10.487 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.722 8.593 12.231 1.00 0.00 H new ATOM 1010 N LYS A 70 6.934 5.005 6.814 1.00 0.00 N ATOM 1011 CA LYS A 70 7.420 5.433 5.509 1.00 0.00 C ATOM 1012 C LYS A 70 6.279 5.859 4.589 1.00 0.00 C ATOM 1013 O LYS A 70 6.381 6.881 3.907 1.00 0.00 O ATOM 1014 CB LYS A 70 8.244 4.307 4.871 1.00 0.00 C ATOM 1015 CG LYS A 70 8.879 4.628 3.509 1.00 0.00 C ATOM 1016 CD LYS A 70 10.139 5.511 3.494 1.00 0.00 C ATOM 1017 CE LYS A 70 9.973 7.004 3.833 1.00 0.00 C ATOM 1018 NZ LYS A 70 8.886 7.683 3.094 1.00 0.00 N ATOM 0 H LYS A 70 7.136 4.031 7.038 1.00 0.00 H new ATOM 0 HA LYS A 70 8.055 6.307 5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.038 4.027 5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.601 3.434 4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.126 3.684 3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.122 5.114 2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.855 5.085 4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.586 5.440 2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.785 7.102 4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.912 7.517 3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.979 8.713 3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.948 7.439 2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.966 7.375 3.469 1.00 0.00 H new ATOM 1032 N ASN A 71 5.233 5.040 4.542 1.00 0.00 N ATOM 1033 CA ASN A 71 4.013 5.282 3.783 1.00 0.00 C ATOM 1034 C ASN A 71 3.362 6.601 4.215 1.00 0.00 C ATOM 1035 O ASN A 71 2.935 7.383 3.369 1.00 0.00 O ATOM 1036 CB ASN A 71 3.048 4.101 3.925 1.00 0.00 C ATOM 1037 CG ASN A 71 3.290 2.963 2.931 1.00 0.00 C ATOM 1038 OD1 ASN A 71 2.594 2.828 1.928 1.00 0.00 O ATOM 1039 ND2 ASN A 71 4.235 2.081 3.229 1.00 0.00 N ATOM 0 H ASN A 71 5.212 4.156 5.051 1.00 0.00 H new ATOM 0 HA ASN A 71 4.269 5.372 2.727 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.125 3.705 4.938 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.028 4.464 3.801 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.392 1.277 2.622 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.805 2.207 4.066 1.00 0.00 H new ATOM 1046 N ARG A 72 3.305 6.870 5.525 1.00 0.00 N ATOM 1047 CA ARG A 72 2.806 8.113 6.084 1.00 0.00 C ATOM 1048 C ARG A 72 3.646 9.258 5.523 1.00 0.00 C ATOM 1049 O ARG A 72 3.147 10.150 4.832 1.00 0.00 O ATOM 1050 CB ARG A 72 2.940 8.003 7.610 1.00 0.00 C ATOM 1051 CG ARG A 72 2.157 9.035 8.422 1.00 0.00 C ATOM 1052 CD ARG A 72 1.203 8.283 9.348 1.00 0.00 C ATOM 1053 NE ARG A 72 0.105 7.691 8.567 1.00 0.00 N ATOM 1054 CZ ARG A 72 -0.693 6.682 8.960 1.00 0.00 C ATOM 1055 NH1 ARG A 72 -0.255 5.712 9.763 1.00 0.00 N ATOM 1056 NH2 ARG A 72 -1.958 6.617 8.563 1.00 0.00 N ATOM 0 H ARG A 72 3.614 6.207 6.236 1.00 0.00 H new ATOM 0 HA ARG A 72 1.764 8.302 5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.616 7.008 7.914 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.995 8.088 7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.837 9.659 9.001 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.601 9.699 7.760 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.743 7.501 9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.801 8.963 10.099 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.067 8.083 7.641 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.709 5.722 10.096 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.884 4.960 10.044 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.338 7.339 7.951 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.550 5.845 8.870 1.00 0.00 H new ATOM 1070 N ASP A 73 4.938 9.169 5.836 1.00 0.00 N ATOM 1071 CA ASP A 73 5.985 10.148 5.626 1.00 0.00 C ATOM 1072 C ASP A 73 6.049 10.612 4.180 1.00 0.00 C ATOM 1073 O ASP A 73 6.015 11.816 3.928 1.00 0.00 O ATOM 1074 CB ASP A 73 7.272 9.447 6.065 1.00 0.00 C ATOM 1075 CG ASP A 73 8.537 10.165 5.633 1.00 0.00 C ATOM 1076 OD1 ASP A 73 8.992 9.864 4.509 1.00 0.00 O ATOM 1077 OD2 ASP A 73 9.061 10.968 6.433 1.00 0.00 O ATOM 0 H ASP A 73 5.304 8.329 6.284 1.00 0.00 H new ATOM 0 HA ASP A 73 5.808 11.059 6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.271 9.353 7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.282 8.436 5.657 1.00 0.00 H new ATOM 1082 N PHE A 74 6.103 9.643 3.260 1.00 0.00 N ATOM 1083 CA PHE A 74 6.274 9.829 1.823 1.00 0.00 C ATOM 1084 C PHE A 74 5.637 11.103 1.279 1.00 0.00 C ATOM 1085 O PHE A 74 6.245 11.817 0.485 1.00 0.00 O ATOM 1086 CB PHE A 74 5.728 8.621 1.068 1.00 0.00 C ATOM 1087 CG PHE A 74 6.785 7.805 0.367 1.00 0.00 C ATOM 1088 CD1 PHE A 74 7.416 8.340 -0.769 1.00 0.00 C ATOM 1089 CD2 PHE A 74 7.064 6.489 0.768 1.00 0.00 C ATOM 1090 CE1 PHE A 74 8.386 7.587 -1.445 1.00 0.00 C ATOM 1091 CE2 PHE A 74 8.110 5.778 0.152 1.00 0.00 C ATOM 1092 CZ PHE A 74 8.827 6.369 -0.899 1.00 0.00 C ATOM 0 H PHE A 74 6.024 8.659 3.515 1.00 0.00 H new ATOM 0 HA PHE A 74 7.347 9.930 1.663 1.00 0.00 H new ATOM 0 HB2 PHE A 74 5.194 7.979 1.768 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.001 8.964 0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.155 9.327 -1.120 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.478 6.024 1.547 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.793 7.941 -2.381 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.360 4.782 0.487 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.714 5.890 -1.287 1.00 0.00 H new ATOM 1102 N PHE A 75 4.380 11.324 1.657 1.00 0.00 N ATOM 1103 CA PHE A 75 3.546 12.370 1.096 1.00 0.00 C ATOM 1104 C PHE A 75 3.240 13.453 2.133 1.00 0.00 C ATOM 1105 O PHE A 75 2.571 14.429 1.804 1.00 0.00 O ATOM 1106 CB PHE A 75 2.269 11.725 0.561 1.00 0.00 C ATOM 1107 CG PHE A 75 2.474 10.371 -0.102 1.00 0.00 C ATOM 1108 CD1 PHE A 75 3.100 10.297 -1.361 1.00 0.00 C ATOM 1109 CD2 PHE A 75 2.206 9.186 0.610 1.00 0.00 C ATOM 1110 CE1 PHE A 75 3.432 9.046 -1.910 1.00 0.00 C ATOM 1111 CE2 PHE A 75 2.489 7.934 0.039 1.00 0.00 C ATOM 1112 CZ PHE A 75 3.107 7.864 -1.219 1.00 0.00 C ATOM 0 H PHE A 75 3.910 10.770 2.373 1.00 0.00 H new ATOM 0 HA PHE A 75 4.072 12.867 0.281 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.564 11.609 1.384 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.810 12.402 -0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.325 11.202 -1.905 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.780 9.240 1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.937 8.992 -2.863 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.232 7.028 0.567 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.333 6.903 -1.657 1.00 0.00 H new ATOM 1122 N LYS A 76 3.676 13.276 3.388 1.00 0.00 N ATOM 1123 CA LYS A 76 3.502 14.279 4.432 1.00 0.00 C ATOM 1124 C LYS A 76 4.707 15.224 4.435 1.00 0.00 C ATOM 1125 O LYS A 76 4.556 16.412 4.711 1.00 0.00 O ATOM 1126 CB LYS A 76 3.343 13.609 5.811 1.00 0.00 C ATOM 1127 CG LYS A 76 1.907 13.617 6.374 1.00 0.00 C ATOM 1128 CD LYS A 76 1.109 12.339 6.089 1.00 0.00 C ATOM 1129 CE LYS A 76 0.614 12.200 4.643 1.00 0.00 C ATOM 1130 NZ LYS A 76 0.562 10.784 4.237 1.00 0.00 N ATOM 0 H LYS A 76 4.157 12.433 3.701 1.00 0.00 H new ATOM 0 HA LYS A 76 2.596 14.849 4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.684 12.576 5.739 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.999 14.112 6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.953 13.769 7.452 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.370 14.468 5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.731 11.477 6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.249 12.308 6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.376 12.646 4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.276 12.750 3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.273 10.719 3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.502 10.355 4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.126 10.278 4.830 1.00 0.00 H new ATOM 1144 N LYS A 77 5.900 14.680 4.187 1.00 0.00 N ATOM 1145 CA LYS A 77 7.161 15.382 4.310 1.00 0.00 C ATOM 1146 C LYS A 77 8.125 14.802 3.274 1.00 0.00 C ATOM 1147 O LYS A 77 8.171 15.355 2.158 1.00 0.00 O ATOM 1148 CB LYS A 77 7.659 15.213 5.739 1.00 0.00 C ATOM 1149 CG LYS A 77 9.022 15.903 5.891 1.00 0.00 C ATOM 1150 CD LYS A 77 9.760 15.372 7.111 1.00 0.00 C ATOM 1151 CE LYS A 77 9.922 13.839 7.143 1.00 0.00 C ATOM 1152 NZ LYS A 77 10.159 13.225 5.816 1.00 0.00 N ATOM 1153 OXT LYS A 77 8.839 13.841 3.643 1.00 0.00 O ATOM 0 H LYS A 77 6.009 13.711 3.887 1.00 0.00 H new ATOM 0 HA LYS A 77 7.066 16.451 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.942 15.643 6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.746 14.154 5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.621 15.736 4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.882 16.980 5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.748 15.830 7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.227 15.687 8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.753 13.587 7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.025 13.399 7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.072 12.191 5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.457 13.583 5.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.115 13.468 5.487 1.00 0.00 H new