USER MOD reduce.3.24.130724 H: found=0, std=0, add=1098, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1101 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: C 23 THR OG1 : rot -154:sc= -0.37 USER MOD Set 1.2: C 27 GLN : amide:sc= -1.81! C(o=-2.2!,f=-7!) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0548 (180deg=-0.387) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -1 GLY N :NH3+ -109:sc= 0.0374 (180deg=0) USER MOD Single : A 11 TYR OH : rot 30:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= -7.03! C(o=-7!,f=-8!) USER MOD Single : A 15 CYS SG : rot 180:sc= -0.0092 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : C 2 MET CE :methyl 166:sc= -0.0761 (180deg=-0.41) USER MOD Single : C 4 HIS : no HD1:sc= -0.0291 X(o=-0.029,f=-0.0042) USER MOD Single : C 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : C 6 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : C 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 9 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-1.9!) USER MOD Single : C 15 LYS NZ :NH3+ -158:sc= 0.00566 (180deg=-0.0494) USER MOD Single : C 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 22 LYS NZ :NH3+ 166:sc= 1.28 (180deg=1.25) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 THR OG1 : rot 147:sc= -2.86! USER MOD Single : C 30 THR OG1 : rot 180:sc= 0.0667 USER MOD Single : C 36 GLN :FLIP amide:sc= -0.0625 F(o=-2.3!,f=-0.062) USER MOD Single : C 37 MET CE :methyl 165:sc= -0.129 (180deg=-0.576) USER MOD Single : C 38 ASN : amide:sc= -2.93! C(o=-2.9!,f=-3!) USER MOD Single : C 40 LYS NZ :NH3+ -158:sc= -0.134 (180deg=-0.576) USER MOD Single : C 43 LYS NZ :NH3+ 148:sc= 2.38 (180deg=1.47) USER MOD Single : C 45 HIS : no HD1:sc= -0.0097 X(o=-0.0097,f=-0.0097) USER MOD Single : C 49 SER OG : rot 63:sc= 0.634 USER MOD Single : C 51 SER OG : rot 180:sc= 0 USER MOD Single : C 54 SER OG : rot 130:sc= 0.0504 USER MOD Single : C 56 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : C 57 GLN : amide:sc= -2.55! C(o=-2.6!,f=-6.7!) USER MOD Single : C 61 TYR OH : rot 180:sc= -0.744 USER MOD Single : C 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 71 LYS NZ :NH3+ 168:sc= -0.0128 (180deg=-0.211) USER MOD Single : C 73 GLN : amide:sc= -1.2 K(o=-1.2,f=-5.8!) USER MOD Single : C 75 TYR OH : rot -147:sc= 0.349 USER MOD Single : C 76 ASN : amide:sc= -0.213 K(o=-0.21,f=-0.85) USER MOD Single : C 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 83 HIS : no HE2:sc= 0.0937 K(o=0.094,f=-4.7!) USER MOD Single : C 91 GLN : amide:sc= -0.0194 X(o=-0.019,f=-0.34) USER MOD Single : C 92 THR OG1 : rot -76:sc= 0.0421 USER MOD Single : C 93 HIS : no HD1:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : C 96 SER OG : rot 180:sc= 0 USER MOD Single : C 99 SER OG : rot 180:sc= 0 USER MOD Single : C 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -28.323 -21.461 5.674 1.00 0.00 N ATOM 2 CA GLY A -1 -26.911 -21.036 5.530 1.00 0.00 C ATOM 3 C GLY A -1 -26.547 -19.950 6.517 1.00 0.00 C ATOM 4 O GLY A -1 -27.406 -19.177 6.942 1.00 0.00 O ATOM 0 H1 GLY A -1 -28.358 -22.415 6.086 1.00 0.00 H new ATOM 0 H2 GLY A -1 -28.824 -20.796 6.298 1.00 0.00 H new ATOM 0 H3 GLY A -1 -28.780 -21.470 4.740 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -26.256 -21.895 5.677 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -26.742 -20.676 4.515 1.00 0.00 H new ATOM 10 N SER A 0 -25.278 -19.886 6.885 1.00 0.00 N ATOM 11 CA SER A 0 -24.812 -18.892 7.834 1.00 0.00 C ATOM 12 C SER A 0 -24.460 -17.592 7.120 1.00 0.00 C ATOM 13 O SER A 0 -23.657 -17.583 6.186 1.00 0.00 O ATOM 14 CB SER A 0 -23.600 -19.427 8.596 1.00 0.00 C ATOM 15 OG SER A 0 -23.916 -20.645 9.255 1.00 0.00 O ATOM 0 H SER A 0 -24.552 -20.513 6.539 1.00 0.00 H new ATOM 0 HA SER A 0 -25.612 -18.684 8.544 1.00 0.00 H new ATOM 0 HB2 SER A 0 -22.772 -19.586 7.905 1.00 0.00 H new ATOM 0 HB3 SER A 0 -23.269 -18.689 9.326 1.00 0.00 H new ATOM 0 HG SER A 0 -23.127 -20.971 9.735 1.00 0.00 H new ATOM 21 N MET A 1 -25.088 -16.507 7.546 1.00 0.00 N ATOM 22 CA MET A 1 -24.816 -15.191 6.990 1.00 0.00 C ATOM 23 C MET A 1 -25.264 -14.114 7.967 1.00 0.00 C ATOM 24 O MET A 1 -24.458 -13.308 8.432 1.00 0.00 O ATOM 25 CB MET A 1 -25.528 -15.009 5.644 1.00 0.00 C ATOM 26 CG MET A 1 -25.234 -13.673 4.976 1.00 0.00 C ATOM 27 SD MET A 1 -23.480 -13.437 4.623 1.00 0.00 S ATOM 28 CE MET A 1 -23.194 -14.734 3.418 1.00 0.00 C ATOM 0 H MET A 1 -25.795 -16.513 8.281 1.00 0.00 H new ATOM 0 HA MET A 1 -23.742 -15.102 6.823 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.230 -15.815 4.973 1.00 0.00 H new ATOM 0 HB3 MET A 1 -26.603 -15.101 5.796 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.799 -13.605 4.046 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.582 -12.866 5.620 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.255 -14.546 2.898 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.141 -15.697 3.926 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.012 -14.748 2.697 1.00 0.00 H new ATOM 38 N ALA A 2 -26.550 -14.119 8.287 1.00 0.00 N ATOM 39 CA ALA A 2 -27.110 -13.160 9.227 1.00 0.00 C ATOM 40 C ALA A 2 -26.700 -13.506 10.652 1.00 0.00 C ATOM 41 O ALA A 2 -27.084 -14.555 11.178 1.00 0.00 O ATOM 42 CB ALA A 2 -28.623 -13.126 9.100 1.00 0.00 C ATOM 0 H ALA A 2 -27.228 -14.780 7.907 1.00 0.00 H new ATOM 0 HA ALA A 2 -26.718 -12.171 8.991 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -29.031 -12.405 9.808 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -28.897 -12.834 8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -29.028 -14.115 9.314 1.00 0.00 H new ATOM 48 N GLU A 3 -25.901 -12.628 11.260 1.00 0.00 N ATOM 49 CA GLU A 3 -25.387 -12.832 12.616 1.00 0.00 C ATOM 50 C GLU A 3 -24.516 -14.082 12.685 1.00 0.00 C ATOM 51 O GLU A 3 -24.369 -14.693 13.745 1.00 0.00 O ATOM 52 CB GLU A 3 -26.530 -12.940 13.628 1.00 0.00 C ATOM 53 CG GLU A 3 -27.420 -11.712 13.685 1.00 0.00 C ATOM 54 CD GLU A 3 -28.564 -11.886 14.656 1.00 0.00 C ATOM 55 OE1 GLU A 3 -29.603 -12.452 14.261 1.00 0.00 O ATOM 56 OE2 GLU A 3 -28.431 -11.464 15.821 1.00 0.00 O ATOM 0 H GLU A 3 -25.592 -11.757 10.828 1.00 0.00 H new ATOM 0 HA GLU A 3 -24.778 -11.964 12.870 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -27.141 -13.808 13.380 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -26.110 -13.118 14.618 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -26.825 -10.847 13.977 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -27.817 -11.505 12.691 1.00 0.00 H new ATOM 63 N ALA A 4 -23.947 -14.456 11.549 1.00 0.00 N ATOM 64 CA ALA A 4 -23.103 -15.635 11.467 1.00 0.00 C ATOM 65 C ALA A 4 -22.149 -15.520 10.288 1.00 0.00 C ATOM 66 O ALA A 4 -22.371 -16.113 9.234 1.00 0.00 O ATOM 67 CB ALA A 4 -23.954 -16.893 11.350 1.00 0.00 C ATOM 0 H ALA A 4 -24.056 -13.956 10.667 1.00 0.00 H new ATOM 0 HA ALA A 4 -22.514 -15.706 12.381 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -23.305 -17.767 11.290 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -24.598 -16.979 12.225 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -24.568 -16.834 10.452 1.00 0.00 H new ATOM 73 N SER A 5 -21.100 -14.732 10.472 1.00 0.00 N ATOM 74 CA SER A 5 -20.096 -14.525 9.440 1.00 0.00 C ATOM 75 C SER A 5 -19.319 -15.816 9.171 1.00 0.00 C ATOM 76 O SER A 5 -18.639 -16.329 10.060 1.00 0.00 O ATOM 77 CB SER A 5 -19.136 -13.419 9.878 1.00 0.00 C ATOM 78 OG SER A 5 -19.834 -12.212 10.148 1.00 0.00 O ATOM 0 H SER A 5 -20.922 -14.221 11.336 1.00 0.00 H new ATOM 0 HA SER A 5 -20.597 -14.230 8.518 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.594 -13.736 10.769 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.395 -13.247 9.098 1.00 0.00 H new ATOM 0 HG SER A 5 -19.197 -11.521 10.428 1.00 0.00 H new ATOM 84 N PRO A 6 -19.426 -16.364 7.946 1.00 0.00 N ATOM 85 CA PRO A 6 -18.722 -17.593 7.563 1.00 0.00 C ATOM 86 C PRO A 6 -17.204 -17.433 7.571 1.00 0.00 C ATOM 87 O PRO A 6 -16.470 -18.399 7.774 1.00 0.00 O ATOM 88 CB PRO A 6 -19.213 -17.883 6.147 1.00 0.00 C ATOM 89 CG PRO A 6 -20.433 -17.045 5.963 1.00 0.00 C ATOM 90 CD PRO A 6 -20.257 -15.846 6.846 1.00 0.00 C ATOM 0 HA PRO A 6 -18.928 -18.397 8.270 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -18.451 -17.632 5.409 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -19.442 -18.941 6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -20.546 -16.747 4.921 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -21.331 -17.600 6.235 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -19.766 -15.027 6.321 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -21.213 -15.466 7.207 1.00 0.00 H new ATOM 98 N HIS A 7 -16.733 -16.215 7.337 1.00 0.00 N ATOM 99 CA HIS A 7 -15.301 -15.945 7.331 1.00 0.00 C ATOM 100 C HIS A 7 -14.990 -14.672 8.112 1.00 0.00 C ATOM 101 O HIS A 7 -15.570 -13.620 7.848 1.00 0.00 O ATOM 102 CB HIS A 7 -14.774 -15.812 5.895 1.00 0.00 C ATOM 103 CG HIS A 7 -14.939 -17.049 5.065 1.00 0.00 C ATOM 104 ND1 HIS A 7 -15.834 -17.138 4.019 1.00 0.00 N ATOM 105 CD2 HIS A 7 -14.313 -18.247 5.122 1.00 0.00 C ATOM 106 CE1 HIS A 7 -15.750 -18.336 3.473 1.00 0.00 C ATOM 107 NE2 HIS A 7 -14.836 -19.027 4.122 1.00 0.00 N ATOM 0 H HIS A 7 -17.319 -15.401 7.150 1.00 0.00 H new ATOM 0 HA HIS A 7 -14.802 -16.787 7.811 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -15.291 -14.987 5.405 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -13.717 -15.550 5.930 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.545 -18.536 5.824 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.332 -18.690 2.635 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -14.561 -19.987 3.915 1.00 0.00 H new ATOM 116 N PRO A 8 -14.062 -14.754 9.079 1.00 0.00 N ATOM 117 CA PRO A 8 -13.638 -13.608 9.891 1.00 0.00 C ATOM 118 C PRO A 8 -12.605 -12.736 9.181 1.00 0.00 C ATOM 119 O PRO A 8 -11.676 -12.212 9.801 1.00 0.00 O ATOM 120 CB PRO A 8 -13.023 -14.277 11.094 1.00 0.00 C ATOM 121 CG PRO A 8 -12.384 -15.494 10.528 1.00 0.00 C ATOM 122 CD PRO A 8 -13.343 -15.985 9.475 1.00 0.00 C ATOM 0 HA PRO A 8 -14.461 -12.931 10.119 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.293 -13.631 11.583 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.776 -14.530 11.841 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.409 -15.264 10.098 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.222 -16.249 11.297 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.820 -16.436 8.632 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.023 -16.740 9.869 1.00 0.00 H new ATOM 130 N GLY A 9 -12.775 -12.579 7.879 1.00 0.00 N ATOM 131 CA GLY A 9 -11.841 -11.809 7.097 1.00 0.00 C ATOM 132 C GLY A 9 -12.366 -10.449 6.804 1.00 0.00 C ATOM 133 O GLY A 9 -12.755 -10.117 5.686 1.00 0.00 O ATOM 0 H GLY A 9 -13.551 -12.976 7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.896 -11.727 7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.632 -12.329 6.162 1.00 0.00 H new ATOM 137 N ARG A 10 -12.366 -9.697 7.839 1.00 0.00 N ATOM 138 CA ARG A 10 -12.864 -8.332 7.823 1.00 0.00 C ATOM 139 C ARG A 10 -11.904 -7.417 7.062 1.00 0.00 C ATOM 140 O ARG A 10 -10.780 -7.146 7.495 1.00 0.00 O ATOM 141 CB ARG A 10 -13.124 -7.799 9.249 1.00 0.00 C ATOM 142 CG ARG A 10 -11.879 -7.520 10.085 1.00 0.00 C ATOM 143 CD ARG A 10 -11.244 -8.784 10.636 1.00 0.00 C ATOM 144 NE ARG A 10 -9.975 -8.500 11.300 1.00 0.00 N ATOM 145 CZ ARG A 10 -9.300 -9.380 12.035 1.00 0.00 C ATOM 146 NH1 ARG A 10 -9.802 -10.588 12.265 1.00 0.00 N ATOM 147 NH2 ARG A 10 -8.127 -9.045 12.548 1.00 0.00 N ATOM 0 H ARG A 10 -12.018 -9.998 8.749 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.821 -8.337 7.302 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.703 -6.879 9.174 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.742 -8.522 9.781 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.149 -6.989 9.475 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.143 -6.861 10.912 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.927 -9.258 11.341 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.081 -9.494 9.825 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.580 -7.566 11.193 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.710 -10.845 11.877 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.280 -11.258 12.829 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.743 -8.115 12.379 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.606 -9.717 13.112 1.00 0.00 H new ATOM 161 N TYR A 11 -12.342 -6.989 5.898 1.00 0.00 N ATOM 162 CA TYR A 11 -11.593 -6.042 5.097 1.00 0.00 C ATOM 163 C TYR A 11 -12.409 -4.787 4.918 1.00 0.00 C ATOM 164 O TYR A 11 -13.598 -4.753 5.223 1.00 0.00 O ATOM 165 CB TYR A 11 -11.263 -6.621 3.720 1.00 0.00 C ATOM 166 CG TYR A 11 -10.136 -7.586 3.686 1.00 0.00 C ATOM 167 CD1 TYR A 11 -10.117 -8.683 4.518 1.00 0.00 C ATOM 168 CD2 TYR A 11 -9.104 -7.405 2.791 1.00 0.00 C ATOM 169 CE1 TYR A 11 -9.087 -9.584 4.470 1.00 0.00 C ATOM 170 CE2 TYR A 11 -8.063 -8.302 2.728 1.00 0.00 C ATOM 171 CZ TYR A 11 -8.056 -9.397 3.572 1.00 0.00 C ATOM 172 OH TYR A 11 -7.021 -10.305 3.516 1.00 0.00 O ATOM 0 H TYR A 11 -13.224 -7.286 5.480 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.659 -5.821 5.614 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -12.153 -7.115 3.330 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.034 -5.797 3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.925 -8.835 5.218 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.113 -6.550 2.132 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.082 -10.437 5.132 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.257 -8.152 2.025 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.350 -11.193 3.769 1.00 0.00 H new ATOM 182 N PHE A 12 -11.777 -3.776 4.395 1.00 0.00 N ATOM 183 CA PHE A 12 -12.458 -2.530 4.111 1.00 0.00 C ATOM 184 C PHE A 12 -12.001 -1.996 2.772 1.00 0.00 C ATOM 185 O PHE A 12 -10.822 -1.687 2.577 1.00 0.00 O ATOM 186 CB PHE A 12 -12.249 -1.469 5.200 1.00 0.00 C ATOM 187 CG PHE A 12 -13.127 -0.262 4.997 1.00 0.00 C ATOM 188 CD1 PHE A 12 -14.480 -0.329 5.287 1.00 0.00 C ATOM 189 CD2 PHE A 12 -12.614 0.922 4.483 1.00 0.00 C ATOM 190 CE1 PHE A 12 -15.308 0.758 5.066 1.00 0.00 C ATOM 191 CE2 PHE A 12 -13.435 2.015 4.268 1.00 0.00 C ATOM 192 CZ PHE A 12 -14.784 1.932 4.558 1.00 0.00 C ATOM 0 H PHE A 12 -10.786 -3.783 4.153 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.526 -2.746 4.087 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.457 -1.907 6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.204 -1.159 5.206 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.894 -1.241 5.691 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.562 0.990 4.248 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -16.362 0.689 5.290 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.022 2.932 3.874 1.00 0.00 H new ATOM 0 HZ PHE A 12 -15.427 2.783 4.388 1.00 0.00 H new ATOM 202 N CYS A 13 -12.925 -1.920 1.840 1.00 0.00 N ATOM 203 CA CYS A 13 -12.621 -1.389 0.537 1.00 0.00 C ATOM 204 C CYS A 13 -13.008 0.076 0.476 1.00 0.00 C ATOM 205 O CYS A 13 -14.186 0.415 0.580 1.00 0.00 O ATOM 206 CB CYS A 13 -13.333 -2.191 -0.543 1.00 0.00 C ATOM 207 SG CYS A 13 -13.793 -1.249 -2.012 1.00 0.00 S ATOM 0 H CYS A 13 -13.892 -2.220 1.964 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.549 -1.470 0.359 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.689 -3.017 -0.846 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.234 -2.630 -0.114 1.00 0.00 H new ATOM 212 N HIS A 14 -12.020 0.944 0.326 1.00 0.00 N ATOM 213 CA HIS A 14 -12.267 2.371 0.298 1.00 0.00 C ATOM 214 C HIS A 14 -12.922 2.797 -1.012 1.00 0.00 C ATOM 215 O HIS A 14 -13.346 3.939 -1.158 1.00 0.00 O ATOM 216 CB HIS A 14 -10.966 3.131 0.547 1.00 0.00 C ATOM 217 CG HIS A 14 -10.006 3.141 -0.599 1.00 0.00 C ATOM 218 ND1 HIS A 14 -9.815 4.239 -1.399 1.00 0.00 N ATOM 219 CD2 HIS A 14 -9.154 2.195 -1.053 1.00 0.00 C ATOM 220 CE1 HIS A 14 -8.892 3.971 -2.296 1.00 0.00 C ATOM 221 NE2 HIS A 14 -8.467 2.738 -2.109 1.00 0.00 N ATOM 0 H HIS A 14 -11.040 0.682 0.222 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.967 2.617 1.097 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.210 4.162 0.805 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -10.469 2.694 1.413 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -10.312 5.125 -1.311 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.036 1.197 -0.658 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.540 4.649 -3.060 1.00 0.00 H new ATOM 230 N CYS A 15 -12.995 1.873 -1.961 1.00 0.00 N ATOM 231 CA CYS A 15 -13.722 2.106 -3.195 1.00 0.00 C ATOM 232 C CYS A 15 -15.230 2.083 -2.932 1.00 0.00 C ATOM 233 O CYS A 15 -16.001 2.795 -3.570 1.00 0.00 O ATOM 234 CB CYS A 15 -13.329 1.084 -4.225 1.00 0.00 C ATOM 235 SG CYS A 15 -14.004 1.375 -5.874 1.00 0.00 S ATOM 0 H CYS A 15 -12.557 0.954 -1.896 1.00 0.00 H new ATOM 0 HA CYS A 15 -13.466 3.092 -3.583 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -12.241 1.056 -4.292 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -13.653 0.101 -3.883 1.00 0.00 H new ATOM 0 HG CYS A 15 -13.601 0.438 -6.680 1.00 0.00 H new ATOM 241 N CYS A 16 -15.633 1.258 -1.969 1.00 0.00 N ATOM 242 CA CYS A 16 -17.038 1.157 -1.567 1.00 0.00 C ATOM 243 C CYS A 16 -17.317 1.973 -0.299 1.00 0.00 C ATOM 244 O CYS A 16 -18.442 2.413 -0.062 1.00 0.00 O ATOM 245 CB CYS A 16 -17.425 -0.309 -1.314 1.00 0.00 C ATOM 246 SG CYS A 16 -17.475 -1.356 -2.791 1.00 0.00 S ATOM 0 H CYS A 16 -15.005 0.646 -1.449 1.00 0.00 H new ATOM 0 HA CYS A 16 -17.637 1.559 -2.384 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -16.716 -0.739 -0.607 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -18.405 -0.333 -0.837 1.00 0.00 H new ATOM 251 N SER A 17 -16.266 2.162 0.499 1.00 0.00 N ATOM 252 CA SER A 17 -16.355 2.751 1.843 1.00 0.00 C ATOM 253 C SER A 17 -17.295 1.929 2.723 1.00 0.00 C ATOM 254 O SER A 17 -17.955 2.449 3.625 1.00 0.00 O ATOM 255 CB SER A 17 -16.814 4.205 1.809 1.00 0.00 C ATOM 256 OG SER A 17 -16.346 4.872 0.643 1.00 0.00 O ATOM 0 H SER A 17 -15.315 1.908 0.230 1.00 0.00 H new ATOM 0 HA SER A 17 -15.351 2.734 2.266 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.903 4.245 1.840 1.00 0.00 H new ATOM 0 HB3 SER A 17 -16.451 4.723 2.696 1.00 0.00 H new ATOM 0 HG SER A 17 -16.658 5.801 0.650 1.00 0.00 H new ATOM 262 N VAL A 18 -17.333 0.637 2.450 1.00 0.00 N ATOM 263 CA VAL A 18 -18.114 -0.307 3.230 1.00 0.00 C ATOM 264 C VAL A 18 -17.246 -1.528 3.505 1.00 0.00 C ATOM 265 O VAL A 18 -16.424 -1.903 2.663 1.00 0.00 O ATOM 266 CB VAL A 18 -19.380 -0.764 2.473 1.00 0.00 C ATOM 267 CG1 VAL A 18 -20.269 -1.621 3.360 1.00 0.00 C ATOM 268 CG2 VAL A 18 -20.159 0.420 1.922 1.00 0.00 C ATOM 0 H VAL A 18 -16.821 0.211 1.678 1.00 0.00 H new ATOM 0 HA VAL A 18 -18.428 0.181 4.153 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.051 -1.370 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.153 -1.928 2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.718 -2.505 3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.575 -1.045 4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -21.043 0.061 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -20.464 1.069 2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.529 0.981 1.232 1.00 0.00 H new ATOM 278 N GLU A 19 -17.407 -2.126 4.679 1.00 0.00 N ATOM 279 CA GLU A 19 -16.643 -3.312 5.038 1.00 0.00 C ATOM 280 C GLU A 19 -16.990 -4.475 4.120 1.00 0.00 C ATOM 281 O GLU A 19 -18.113 -4.577 3.635 1.00 0.00 O ATOM 282 CB GLU A 19 -16.893 -3.694 6.482 1.00 0.00 C ATOM 283 CG GLU A 19 -16.091 -4.876 6.929 1.00 0.00 C ATOM 284 CD GLU A 19 -16.170 -5.126 8.419 1.00 0.00 C ATOM 285 OE1 GLU A 19 -15.802 -4.225 9.205 1.00 0.00 O ATOM 286 OE2 GLU A 19 -16.622 -6.222 8.814 1.00 0.00 O ATOM 0 H GLU A 19 -18.059 -1.809 5.397 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.585 -3.079 4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.660 -2.843 7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.953 -3.912 6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.439 -5.763 6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.049 -4.726 6.648 1.00 0.00 H new ATOM 293 N ILE A 20 -16.019 -5.340 3.870 1.00 0.00 N ATOM 294 CA ILE A 20 -16.204 -6.460 2.963 1.00 0.00 C ATOM 295 C ILE A 20 -15.514 -7.710 3.508 1.00 0.00 C ATOM 296 O ILE A 20 -14.711 -7.629 4.440 1.00 0.00 O ATOM 297 CB ILE A 20 -15.612 -6.174 1.576 1.00 0.00 C ATOM 298 CG1 ILE A 20 -14.129 -6.321 1.686 1.00 0.00 C ATOM 299 CG2 ILE A 20 -15.952 -4.772 1.122 1.00 0.00 C ATOM 300 CD1 ILE A 20 -13.449 -6.783 0.438 1.00 0.00 C ATOM 0 H ILE A 20 -15.089 -5.286 4.286 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.279 -6.615 2.877 1.00 0.00 H new ATOM 0 HB ILE A 20 -16.025 -6.868 0.844 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.704 -5.361 1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.907 -7.027 2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.521 -4.594 0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.035 -4.659 1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -15.545 -4.051 1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.376 -6.860 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -13.840 -7.759 0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.634 -6.068 -0.363 1.00 0.00 H new ATOM 312 N VAL A 21 -15.827 -8.855 2.920 1.00 0.00 N ATOM 313 CA VAL A 21 -15.024 -10.048 3.093 1.00 0.00 C ATOM 314 C VAL A 21 -14.637 -10.562 1.721 1.00 0.00 C ATOM 315 O VAL A 21 -15.420 -11.213 1.025 1.00 0.00 O ATOM 316 CB VAL A 21 -15.737 -11.150 3.900 1.00 0.00 C ATOM 317 CG1 VAL A 21 -14.851 -12.381 4.032 1.00 0.00 C ATOM 318 CG2 VAL A 21 -16.142 -10.636 5.271 1.00 0.00 C ATOM 0 H VAL A 21 -16.639 -8.979 2.315 1.00 0.00 H new ATOM 0 HA VAL A 21 -14.141 -9.781 3.674 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.640 -11.434 3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -15.374 -13.146 4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -14.616 -12.768 3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.928 -12.111 4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -16.644 -11.430 5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.254 -10.319 5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -16.819 -9.790 5.157 1.00 0.00 H new ATOM 328 N PRO A 22 -13.428 -10.190 1.323 1.00 0.00 N ATOM 329 CA PRO A 22 -12.883 -10.405 -0.011 1.00 0.00 C ATOM 330 C PRO A 22 -12.871 -11.847 -0.497 1.00 0.00 C ATOM 331 O PRO A 22 -13.177 -12.798 0.225 1.00 0.00 O ATOM 332 CB PRO A 22 -11.447 -9.889 0.098 1.00 0.00 C ATOM 333 CG PRO A 22 -11.199 -9.621 1.528 1.00 0.00 C ATOM 334 CD PRO A 22 -12.504 -9.445 2.168 1.00 0.00 C ATOM 0 HA PRO A 22 -13.511 -9.897 -0.743 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.741 -10.626 -0.286 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.315 -8.983 -0.494 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.654 -10.447 1.985 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.586 -8.728 1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.501 -9.829 3.188 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.779 -8.392 2.225 1.00 0.00 H new ATOM 342 N ARG A 23 -12.467 -11.970 -1.749 1.00 0.00 N ATOM 343 CA ARG A 23 -12.336 -13.221 -2.438 1.00 0.00 C ATOM 344 C ARG A 23 -10.850 -13.483 -2.600 1.00 0.00 C ATOM 345 O ARG A 23 -10.324 -13.651 -3.699 1.00 0.00 O ATOM 346 CB ARG A 23 -13.084 -13.152 -3.757 1.00 0.00 C ATOM 347 CG ARG A 23 -14.551 -13.495 -3.644 1.00 0.00 C ATOM 348 CD ARG A 23 -15.376 -12.425 -4.285 1.00 0.00 C ATOM 349 NE ARG A 23 -16.809 -12.669 -4.165 1.00 0.00 N ATOM 350 CZ ARG A 23 -17.728 -12.046 -4.894 1.00 0.00 C ATOM 351 NH1 ARG A 23 -17.360 -11.138 -5.791 1.00 0.00 N ATOM 352 NH2 ARG A 23 -19.011 -12.331 -4.733 1.00 0.00 N ATOM 0 H ARG A 23 -12.215 -11.167 -2.325 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.776 -14.051 -1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.986 -12.147 -4.168 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.615 -13.833 -4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.747 -14.454 -4.124 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.829 -13.601 -2.595 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.136 -11.465 -3.828 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.112 -12.351 -5.340 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.124 -13.358 -3.482 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.372 -10.919 -5.920 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.065 -10.659 -6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.296 -13.031 -4.048 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.714 -11.851 -5.294 1.00 0.00 H new ATOM 366 N LEU A 24 -10.211 -13.334 -1.441 1.00 0.00 N ATOM 367 CA LEU A 24 -8.799 -13.660 -1.138 1.00 0.00 C ATOM 368 C LEU A 24 -7.932 -14.151 -2.302 1.00 0.00 C ATOM 369 O LEU A 24 -6.933 -13.498 -2.585 1.00 0.00 O ATOM 370 CB LEU A 24 -8.731 -14.650 0.035 1.00 0.00 C ATOM 371 CG LEU A 24 -8.472 -14.042 1.420 1.00 0.00 C ATOM 372 CD1 LEU A 24 -7.015 -13.642 1.558 1.00 0.00 C ATOM 373 CD2 LEU A 24 -9.367 -12.838 1.670 1.00 0.00 C ATOM 0 H LEU A 24 -10.691 -12.956 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.355 -12.699 -0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.671 -15.201 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.944 -15.375 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.706 -14.802 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.848 -13.212 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.383 -14.521 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.766 -12.905 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.160 -12.430 2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.172 -12.077 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.412 -13.144 1.615 1.00 0.00 H new ATOM 385 N PRO A 25 -8.239 -15.301 -2.958 1.00 0.00 N ATOM 386 CA PRO A 25 -7.481 -15.776 -4.128 1.00 0.00 C ATOM 387 C PRO A 25 -7.008 -14.654 -5.059 1.00 0.00 C ATOM 388 O PRO A 25 -5.939 -14.743 -5.668 1.00 0.00 O ATOM 389 CB PRO A 25 -8.501 -16.647 -4.828 1.00 0.00 C ATOM 390 CG PRO A 25 -9.251 -17.288 -3.713 1.00 0.00 C ATOM 391 CD PRO A 25 -9.316 -16.262 -2.610 1.00 0.00 C ATOM 0 HA PRO A 25 -6.558 -16.278 -3.839 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.160 -16.057 -5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -8.022 -17.390 -5.466 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.251 -17.580 -4.033 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.747 -18.193 -3.374 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.290 -15.775 -2.573 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.149 -16.714 -1.632 1.00 0.00 H new ATOM 399 N ASP A 26 -7.810 -13.604 -5.158 1.00 0.00 N ATOM 400 CA ASP A 26 -7.488 -12.460 -5.990 1.00 0.00 C ATOM 401 C ASP A 26 -7.270 -11.192 -5.172 1.00 0.00 C ATOM 402 O ASP A 26 -6.623 -10.251 -5.628 1.00 0.00 O ATOM 403 CB ASP A 26 -8.634 -12.216 -6.933 1.00 0.00 C ATOM 404 CG ASP A 26 -8.282 -12.486 -8.377 1.00 0.00 C ATOM 405 OD1 ASP A 26 -7.800 -11.557 -9.059 1.00 0.00 O ATOM 406 OD2 ASP A 26 -8.475 -13.635 -8.832 1.00 0.00 O ATOM 0 H ASP A 26 -8.699 -13.524 -4.664 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.563 -12.686 -6.521 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -9.474 -12.849 -6.646 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.965 -11.182 -6.833 1.00 0.00 H new ATOM 411 N TYR A 27 -7.836 -11.187 -3.967 1.00 0.00 N ATOM 412 CA TYR A 27 -7.925 -9.990 -3.126 1.00 0.00 C ATOM 413 C TYR A 27 -8.811 -8.961 -3.777 1.00 0.00 C ATOM 414 O TYR A 27 -8.432 -7.809 -3.988 1.00 0.00 O ATOM 415 CB TYR A 27 -6.570 -9.386 -2.810 1.00 0.00 C ATOM 416 CG TYR A 27 -5.766 -10.213 -1.853 1.00 0.00 C ATOM 417 CD1 TYR A 27 -6.073 -10.207 -0.506 1.00 0.00 C ATOM 418 CD2 TYR A 27 -4.702 -10.981 -2.285 1.00 0.00 C ATOM 419 CE1 TYR A 27 -5.336 -10.940 0.394 1.00 0.00 C ATOM 420 CE2 TYR A 27 -3.957 -11.726 -1.393 1.00 0.00 C ATOM 421 CZ TYR A 27 -4.276 -11.702 -0.053 1.00 0.00 C ATOM 422 OH TYR A 27 -3.529 -12.432 0.845 1.00 0.00 O ATOM 0 H TYR A 27 -8.249 -12.017 -3.542 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.360 -10.305 -2.177 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.008 -9.264 -3.736 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.712 -8.390 -2.390 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.906 -9.617 -0.154 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.450 -10.999 -3.335 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.585 -10.919 1.445 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.129 -12.324 -1.744 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.822 -12.913 0.367 1.00 0.00 H new ATOM 432 N ILE A 28 -9.992 -9.412 -4.089 1.00 0.00 N ATOM 433 CA ILE A 28 -11.026 -8.574 -4.647 1.00 0.00 C ATOM 434 C ILE A 28 -12.066 -8.270 -3.597 1.00 0.00 C ATOM 435 O ILE A 28 -12.201 -8.991 -2.611 1.00 0.00 O ATOM 436 CB ILE A 28 -11.722 -9.252 -5.836 1.00 0.00 C ATOM 437 CG1 ILE A 28 -11.549 -10.758 -5.700 1.00 0.00 C ATOM 438 CG2 ILE A 28 -11.159 -8.735 -7.146 1.00 0.00 C ATOM 439 CD1 ILE A 28 -12.546 -11.590 -6.463 1.00 0.00 C ATOM 0 H ILE A 28 -10.272 -10.385 -3.963 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.550 -7.656 -4.992 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.786 -9.017 -5.836 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.546 -11.024 -6.035 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.613 -11.021 -4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.664 -9.226 -7.978 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.317 -7.658 -7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.091 -8.948 -7.192 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.337 -12.647 -6.301 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -13.553 -11.361 -6.115 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -12.470 -11.364 -7.527 1.00 0.00 H new ATOM 451 N CYS A 29 -12.825 -7.239 -3.848 1.00 0.00 N ATOM 452 CA CYS A 29 -13.899 -6.848 -2.973 1.00 0.00 C ATOM 453 C CYS A 29 -15.177 -7.454 -3.535 1.00 0.00 C ATOM 454 O CYS A 29 -15.317 -7.603 -4.736 1.00 0.00 O ATOM 455 CB CYS A 29 -13.941 -5.312 -2.930 1.00 0.00 C ATOM 456 SG CYS A 29 -15.484 -4.553 -2.372 1.00 0.00 S ATOM 0 H CYS A 29 -12.717 -6.643 -4.669 1.00 0.00 H new ATOM 0 HA CYS A 29 -13.769 -7.203 -1.951 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.138 -4.969 -2.277 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -13.721 -4.938 -3.930 1.00 0.00 H new ATOM 461 N PRO A 30 -16.109 -7.849 -2.680 1.00 0.00 N ATOM 462 CA PRO A 30 -17.313 -8.543 -3.098 1.00 0.00 C ATOM 463 C PRO A 30 -18.312 -7.518 -3.560 1.00 0.00 C ATOM 464 O PRO A 30 -19.262 -7.801 -4.286 1.00 0.00 O ATOM 465 CB PRO A 30 -17.782 -9.206 -1.804 1.00 0.00 C ATOM 466 CG PRO A 30 -17.370 -8.238 -0.741 1.00 0.00 C ATOM 467 CD PRO A 30 -16.110 -7.581 -1.244 1.00 0.00 C ATOM 0 HA PRO A 30 -17.174 -9.256 -3.911 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.860 -9.366 -1.804 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -17.315 -10.181 -1.661 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.151 -7.499 -0.562 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.193 -8.749 0.205 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.111 -6.510 -1.040 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.225 -7.997 -0.762 1.00 0.00 H new ATOM 475 N ARG A 31 -18.063 -6.309 -3.092 1.00 0.00 N ATOM 476 CA ARG A 31 -18.930 -5.195 -3.381 1.00 0.00 C ATOM 477 C ARG A 31 -18.577 -4.424 -4.654 1.00 0.00 C ATOM 478 O ARG A 31 -19.393 -3.649 -5.146 1.00 0.00 O ATOM 479 CB ARG A 31 -19.013 -4.317 -2.185 1.00 0.00 C ATOM 480 CG ARG A 31 -19.770 -5.063 -1.135 1.00 0.00 C ATOM 481 CD ARG A 31 -20.147 -4.227 0.076 1.00 0.00 C ATOM 482 NE ARG A 31 -21.407 -4.695 0.663 1.00 0.00 N ATOM 483 CZ ARG A 31 -21.577 -5.035 1.943 1.00 0.00 C ATOM 484 NH1 ARG A 31 -20.577 -4.953 2.805 1.00 0.00 N ATOM 485 NH2 ARG A 31 -22.761 -5.465 2.361 1.00 0.00 N ATOM 0 H ARG A 31 -17.260 -6.078 -2.507 1.00 0.00 H new ATOM 0 HA ARG A 31 -19.916 -5.604 -3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -18.016 -4.059 -1.829 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.516 -3.382 -2.430 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -20.679 -5.469 -1.579 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -19.170 -5.911 -0.804 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -19.353 -4.279 0.821 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.243 -3.181 -0.215 1.00 0.00 H new ATOM 0 HE ARG A 31 -22.216 -4.766 0.046 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -19.662 -4.627 2.495 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -20.721 -5.216 3.780 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -23.539 -5.535 1.705 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -22.893 -5.725 3.338 1.00 0.00 H new ATOM 499 N CYS A 32 -17.374 -4.625 -5.194 1.00 0.00 N ATOM 500 CA CYS A 32 -17.025 -3.999 -6.474 1.00 0.00 C ATOM 501 C CYS A 32 -15.997 -4.812 -7.267 1.00 0.00 C ATOM 502 O CYS A 32 -15.715 -4.496 -8.422 1.00 0.00 O ATOM 503 CB CYS A 32 -16.517 -2.564 -6.275 1.00 0.00 C ATOM 504 SG CYS A 32 -14.967 -2.441 -5.356 1.00 0.00 S ATOM 0 H CYS A 32 -16.641 -5.200 -4.780 1.00 0.00 H new ATOM 0 HA CYS A 32 -17.945 -3.972 -7.058 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -16.383 -2.100 -7.252 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -17.282 -1.990 -5.752 1.00 0.00 H new ATOM 509 N GLU A 33 -15.440 -5.858 -6.642 1.00 0.00 N ATOM 510 CA GLU A 33 -14.449 -6.727 -7.281 1.00 0.00 C ATOM 511 C GLU A 33 -13.200 -5.949 -7.690 1.00 0.00 C ATOM 512 O GLU A 33 -12.481 -6.334 -8.610 1.00 0.00 O ATOM 513 CB GLU A 33 -15.044 -7.472 -8.472 1.00 0.00 C ATOM 514 CG GLU A 33 -14.438 -8.850 -8.657 1.00 0.00 C ATOM 515 CD GLU A 33 -14.997 -9.589 -9.852 1.00 0.00 C ATOM 516 OE1 GLU A 33 -14.532 -9.335 -10.982 1.00 0.00 O ATOM 517 OE2 GLU A 33 -15.891 -10.438 -9.663 1.00 0.00 O ATOM 0 H GLU A 33 -15.664 -6.123 -5.683 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.148 -7.469 -6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.121 -7.568 -8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.889 -6.886 -9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.358 -8.753 -8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.613 -9.441 -7.758 1.00 0.00 H new ATOM 524 N SER A 34 -12.958 -4.849 -7.001 1.00 0.00 N ATOM 525 CA SER A 34 -11.704 -4.142 -7.121 1.00 0.00 C ATOM 526 C SER A 34 -10.844 -4.440 -5.905 1.00 0.00 C ATOM 527 O SER A 34 -11.363 -4.546 -4.792 1.00 0.00 O ATOM 528 CB SER A 34 -11.940 -2.665 -7.259 1.00 0.00 C ATOM 529 OG SER A 34 -12.858 -2.390 -8.301 1.00 0.00 O ATOM 0 H SER A 34 -13.620 -4.427 -6.350 1.00 0.00 H new ATOM 0 HA SER A 34 -11.184 -4.479 -8.018 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.321 -2.265 -6.319 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.995 -2.160 -7.460 1.00 0.00 H new ATOM 0 HG SER A 34 -12.996 -1.422 -8.369 1.00 0.00 H new ATOM 535 N GLY A 35 -9.544 -4.585 -6.113 1.00 0.00 N ATOM 536 CA GLY A 35 -8.656 -4.970 -5.030 1.00 0.00 C ATOM 537 C GLY A 35 -8.270 -3.812 -4.132 1.00 0.00 C ATOM 538 O GLY A 35 -7.173 -3.791 -3.571 1.00 0.00 O ATOM 0 H GLY A 35 -9.085 -4.443 -7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.139 -5.741 -4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.753 -5.412 -5.450 1.00 0.00 H new ATOM 542 N PHE A 36 -9.162 -2.848 -3.993 1.00 0.00 N ATOM 543 CA PHE A 36 -8.912 -1.692 -3.149 1.00 0.00 C ATOM 544 C PHE A 36 -9.378 -1.969 -1.732 1.00 0.00 C ATOM 545 O PHE A 36 -10.134 -1.197 -1.138 1.00 0.00 O ATOM 546 CB PHE A 36 -9.580 -0.454 -3.744 1.00 0.00 C ATOM 547 CG PHE A 36 -8.795 0.092 -4.898 1.00 0.00 C ATOM 548 CD1 PHE A 36 -8.799 -0.552 -6.123 1.00 0.00 C ATOM 549 CD2 PHE A 36 -8.018 1.222 -4.740 1.00 0.00 C ATOM 550 CE1 PHE A 36 -8.045 -0.070 -7.174 1.00 0.00 C ATOM 551 CE2 PHE A 36 -7.255 1.707 -5.777 1.00 0.00 C ATOM 552 CZ PHE A 36 -7.268 1.058 -7.000 1.00 0.00 C ATOM 0 H PHE A 36 -10.071 -2.843 -4.456 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.841 -1.496 -3.106 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.587 -0.706 -4.075 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.679 0.312 -2.975 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.398 -1.440 -6.258 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.009 1.733 -3.788 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.063 -0.574 -8.129 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.649 2.590 -5.638 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.671 1.434 -7.817 1.00 0.00 H new ATOM 562 N ILE A 37 -8.895 -3.084 -1.210 1.00 0.00 N ATOM 563 CA ILE A 37 -9.285 -3.579 0.095 1.00 0.00 C ATOM 564 C ILE A 37 -8.089 -3.748 1.007 1.00 0.00 C ATOM 565 O ILE A 37 -7.077 -4.320 0.612 1.00 0.00 O ATOM 566 CB ILE A 37 -9.952 -4.944 -0.015 1.00 0.00 C ATOM 567 CG1 ILE A 37 -9.187 -5.879 -0.949 1.00 0.00 C ATOM 568 CG2 ILE A 37 -11.353 -4.780 -0.465 1.00 0.00 C ATOM 569 CD1 ILE A 37 -9.860 -7.222 -1.137 1.00 0.00 C ATOM 0 H ILE A 37 -8.214 -3.675 -1.687 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.974 -2.841 0.505 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.943 -5.406 0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.074 -5.398 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.184 -6.036 -0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -11.827 -5.758 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.897 -4.169 0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.367 -4.292 -1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.264 -7.836 -1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.949 -7.723 -0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.853 -7.075 -1.562 1.00 0.00 H new ATOM 581 N GLU A 38 -8.216 -3.286 2.228 1.00 0.00 N ATOM 582 CA GLU A 38 -7.190 -3.502 3.229 1.00 0.00 C ATOM 583 C GLU A 38 -7.794 -4.279 4.390 1.00 0.00 C ATOM 584 O GLU A 38 -8.972 -4.113 4.709 1.00 0.00 O ATOM 585 CB GLU A 38 -6.623 -2.161 3.702 1.00 0.00 C ATOM 586 CG GLU A 38 -7.662 -1.281 4.369 1.00 0.00 C ATOM 587 CD GLU A 38 -7.101 0.007 4.932 1.00 0.00 C ATOM 588 OE1 GLU A 38 -6.685 0.011 6.112 1.00 0.00 O ATOM 589 OE2 GLU A 38 -7.105 1.030 4.208 1.00 0.00 O ATOM 0 H GLU A 38 -9.023 -2.755 2.557 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.369 -4.078 2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.807 -2.344 4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.199 -1.631 2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.441 -1.041 3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.137 -1.842 5.174 1.00 0.00 H new ATOM 596 N GLU A 39 -7.001 -5.162 4.978 1.00 0.00 N ATOM 597 CA GLU A 39 -7.451 -5.964 6.108 1.00 0.00 C ATOM 598 C GLU A 39 -7.484 -5.121 7.376 1.00 0.00 C ATOM 599 O GLU A 39 -6.581 -4.317 7.623 1.00 0.00 O ATOM 600 CB GLU A 39 -6.523 -7.167 6.298 1.00 0.00 C ATOM 601 CG GLU A 39 -6.891 -8.048 7.468 1.00 0.00 C ATOM 602 CD GLU A 39 -5.744 -8.915 7.948 1.00 0.00 C ATOM 603 OE1 GLU A 39 -5.333 -9.835 7.213 1.00 0.00 O ATOM 604 OE2 GLU A 39 -5.255 -8.687 9.077 1.00 0.00 O ATOM 0 H GLU A 39 -6.039 -5.342 4.691 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.460 -6.323 5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.532 -7.767 5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.503 -6.808 6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.234 -7.422 8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.727 -8.687 7.184 1.00 0.00 H new ATOM 611 N LEU A 40 -8.530 -5.305 8.166 1.00 0.00 N ATOM 612 CA LEU A 40 -8.710 -4.544 9.394 1.00 0.00 C ATOM 613 C LEU A 40 -8.091 -5.304 10.565 1.00 0.00 C ATOM 614 O LEU A 40 -8.791 -6.136 11.174 1.00 0.00 O ATOM 615 CB LEU A 40 -10.206 -4.291 9.655 1.00 0.00 C ATOM 616 CG LEU A 40 -10.903 -3.211 8.798 1.00 0.00 C ATOM 617 CD1 LEU A 40 -10.205 -2.990 7.464 1.00 0.00 C ATOM 618 CD2 LEU A 40 -12.347 -3.607 8.550 1.00 0.00 C ATOM 619 OXT LEU A 40 -6.898 -5.084 10.857 1.00 0.00 O ATOM 0 H LEU A 40 -9.272 -5.979 7.978 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.212 -3.580 9.289 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.737 -5.232 9.510 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.324 -4.017 10.703 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.855 -2.275 9.355 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.734 -2.222 6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.178 -2.669 7.639 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.203 -3.920 6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.835 -2.843 7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.377 -4.561 8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.867 -3.702 9.503 1.00 0.00 H new TER 631 LEU A 40 ATOM 632 N MET C 2 24.764 21.755 -4.157 1.00 0.00 N ATOM 633 CA MET C 2 25.048 20.327 -4.417 1.00 0.00 C ATOM 634 C MET C 2 25.233 20.073 -5.912 1.00 0.00 C ATOM 635 O MET C 2 26.069 19.264 -6.311 1.00 0.00 O ATOM 636 CB MET C 2 23.924 19.451 -3.857 1.00 0.00 C ATOM 637 CG MET C 2 24.150 17.960 -4.047 1.00 0.00 C ATOM 638 SD MET C 2 22.940 16.953 -3.163 1.00 0.00 S ATOM 639 CE MET C 2 21.408 17.555 -3.868 1.00 0.00 C ATOM 0 HA MET C 2 25.978 20.065 -3.912 1.00 0.00 H new ATOM 0 HB2 MET C 2 23.811 19.658 -2.793 1.00 0.00 H new ATOM 0 HB3 MET C 2 22.986 19.730 -4.337 1.00 0.00 H new ATOM 0 HG2 MET C 2 24.107 17.723 -5.110 1.00 0.00 H new ATOM 0 HG3 MET C 2 25.152 17.702 -3.703 1.00 0.00 H new ATOM 0 HE1 MET C 2 20.598 16.872 -3.614 1.00 0.00 H new ATOM 0 HE2 MET C 2 21.187 18.544 -3.467 1.00 0.00 H new ATOM 0 HE3 MET C 2 21.505 17.616 -4.952 1.00 0.00 H new ATOM 651 N ALA C 3 24.461 20.768 -6.743 1.00 0.00 N ATOM 652 CA ALA C 3 24.556 20.594 -8.187 1.00 0.00 C ATOM 653 C ALA C 3 25.355 21.720 -8.840 1.00 0.00 C ATOM 654 O ALA C 3 26.064 21.491 -9.821 1.00 0.00 O ATOM 655 CB ALA C 3 23.169 20.506 -8.804 1.00 0.00 C ATOM 0 H ALA C 3 23.767 21.453 -6.443 1.00 0.00 H new ATOM 0 HA ALA C 3 25.087 19.660 -8.371 1.00 0.00 H new ATOM 0 HB1 ALA C 3 23.258 20.376 -9.883 1.00 0.00 H new ATOM 0 HB2 ALA C 3 22.635 19.656 -8.379 1.00 0.00 H new ATOM 0 HB3 ALA C 3 22.618 21.423 -8.593 1.00 0.00 H new ATOM 661 N HIS C 4 25.230 22.928 -8.279 1.00 0.00 N ATOM 662 CA HIS C 4 25.905 24.132 -8.788 1.00 0.00 C ATOM 663 C HIS C 4 25.307 24.599 -10.110 1.00 0.00 C ATOM 664 O HIS C 4 24.684 25.659 -10.183 1.00 0.00 O ATOM 665 CB HIS C 4 27.418 23.922 -8.941 1.00 0.00 C ATOM 666 CG HIS C 4 28.185 24.070 -7.664 1.00 0.00 C ATOM 667 ND1 HIS C 4 29.041 23.105 -7.178 1.00 0.00 N ATOM 668 CD2 HIS C 4 28.243 25.097 -6.785 1.00 0.00 C ATOM 669 CE1 HIS C 4 29.589 23.533 -6.056 1.00 0.00 C ATOM 670 NE2 HIS C 4 29.121 24.737 -5.796 1.00 0.00 N ATOM 0 H HIS C 4 24.655 23.101 -7.454 1.00 0.00 H new ATOM 0 HA HIS C 4 25.744 24.911 -8.043 1.00 0.00 H new ATOM 0 HB2 HIS C 4 27.597 22.927 -9.347 1.00 0.00 H new ATOM 0 HB3 HIS C 4 27.802 24.637 -9.669 1.00 0.00 H new ATOM 0 HD2 HIS C 4 27.699 26.027 -6.851 1.00 0.00 H new ATOM 0 HE1 HIS C 4 30.301 22.988 -5.453 1.00 0.00 H new ATOM 0 HE2 HIS C 4 29.372 25.309 -4.989 1.00 0.00 H new ATOM 679 N HIS C 5 25.499 23.810 -11.152 1.00 0.00 N ATOM 680 CA HIS C 5 24.987 24.147 -12.468 1.00 0.00 C ATOM 681 C HIS C 5 23.944 23.121 -12.882 1.00 0.00 C ATOM 682 O HIS C 5 23.716 22.152 -12.157 1.00 0.00 O ATOM 683 CB HIS C 5 26.119 24.177 -13.504 1.00 0.00 C ATOM 684 CG HIS C 5 27.272 25.065 -13.143 1.00 0.00 C ATOM 685 ND1 HIS C 5 28.492 24.576 -12.722 1.00 0.00 N ATOM 686 CD2 HIS C 5 27.398 26.413 -13.159 1.00 0.00 C ATOM 687 CE1 HIS C 5 29.314 25.581 -12.494 1.00 0.00 C ATOM 688 NE2 HIS C 5 28.677 26.705 -12.754 1.00 0.00 N ATOM 0 H HIS C 5 26.008 22.927 -11.112 1.00 0.00 H new ATOM 0 HA HIS C 5 24.535 25.138 -12.422 1.00 0.00 H new ATOM 0 HB2 HIS C 5 26.490 23.162 -13.647 1.00 0.00 H new ATOM 0 HB3 HIS C 5 25.710 24.505 -14.460 1.00 0.00 H new ATOM 0 HD2 HIS C 5 26.635 27.125 -13.438 1.00 0.00 H new ATOM 0 HE1 HIS C 5 30.335 25.498 -12.152 1.00 0.00 H new ATOM 0 HE2 HIS C 5 29.071 27.642 -12.668 1.00 0.00 H new ATOM 697 N HIS C 6 23.309 23.317 -14.033 1.00 0.00 N ATOM 698 CA HIS C 6 22.387 22.308 -14.542 1.00 0.00 C ATOM 699 C HIS C 6 23.164 21.030 -14.843 1.00 0.00 C ATOM 700 O HIS C 6 22.669 19.931 -14.597 1.00 0.00 O ATOM 701 CB HIS C 6 21.611 22.797 -15.784 1.00 0.00 C ATOM 702 CG HIS C 6 22.438 22.980 -17.025 1.00 0.00 C ATOM 703 ND1 HIS C 6 22.502 22.041 -18.031 1.00 0.00 N ATOM 704 CD2 HIS C 6 23.219 24.009 -17.426 1.00 0.00 C ATOM 705 CE1 HIS C 6 23.286 22.483 -18.995 1.00 0.00 C ATOM 706 NE2 HIS C 6 23.735 23.674 -18.653 1.00 0.00 N ATOM 0 H HIS C 6 23.412 24.145 -14.620 1.00 0.00 H new ATOM 0 HA HIS C 6 21.638 22.108 -13.776 1.00 0.00 H new ATOM 0 HB2 HIS C 6 20.815 22.084 -15.999 1.00 0.00 H new ATOM 0 HB3 HIS C 6 21.132 23.746 -15.543 1.00 0.00 H new ATOM 0 HD2 HIS C 6 23.402 24.924 -16.882 1.00 0.00 H new ATOM 0 HE1 HIS C 6 23.520 21.958 -19.909 1.00 0.00 H new ATOM 0 HE2 HIS C 6 24.364 24.253 -19.210 1.00 0.00 H new ATOM 715 N HIS C 7 24.389 21.239 -15.357 1.00 0.00 N ATOM 716 CA HIS C 7 25.410 20.205 -15.597 1.00 0.00 C ATOM 717 C HIS C 7 24.850 18.786 -15.662 1.00 0.00 C ATOM 718 O HIS C 7 24.555 18.280 -16.743 1.00 0.00 O ATOM 719 CB HIS C 7 26.502 20.311 -14.525 1.00 0.00 C ATOM 720 CG HIS C 7 27.695 19.440 -14.767 1.00 0.00 C ATOM 721 ND1 HIS C 7 28.069 18.426 -13.913 1.00 0.00 N ATOM 722 CD2 HIS C 7 28.609 19.444 -15.764 1.00 0.00 C ATOM 723 CE1 HIS C 7 29.160 17.846 -14.375 1.00 0.00 C ATOM 724 NE2 HIS C 7 29.508 18.444 -15.497 1.00 0.00 N ATOM 0 H HIS C 7 24.707 22.170 -15.627 1.00 0.00 H new ATOM 0 HA HIS C 7 25.830 20.396 -16.585 1.00 0.00 H new ATOM 0 HB2 HIS C 7 26.832 21.348 -14.461 1.00 0.00 H new ATOM 0 HB3 HIS C 7 26.070 20.054 -13.558 1.00 0.00 H new ATOM 0 HD2 HIS C 7 28.627 20.111 -16.613 1.00 0.00 H new ATOM 0 HE1 HIS C 7 29.680 17.021 -13.912 1.00 0.00 H new ATOM 0 HE2 HIS C 7 30.315 18.202 -16.073 1.00 0.00 H new ATOM 733 N HIS C 8 24.714 18.150 -14.503 1.00 0.00 N ATOM 734 CA HIS C 8 24.148 16.813 -14.424 1.00 0.00 C ATOM 735 C HIS C 8 23.336 16.653 -13.150 1.00 0.00 C ATOM 736 O HIS C 8 23.882 16.378 -12.080 1.00 0.00 O ATOM 737 CB HIS C 8 25.241 15.740 -14.485 1.00 0.00 C ATOM 738 CG HIS C 8 25.682 15.407 -15.876 1.00 0.00 C ATOM 739 ND1 HIS C 8 25.064 14.450 -16.649 1.00 0.00 N ATOM 740 CD2 HIS C 8 26.687 15.905 -16.633 1.00 0.00 C ATOM 741 CE1 HIS C 8 25.669 14.373 -17.817 1.00 0.00 C ATOM 742 NE2 HIS C 8 26.659 15.245 -17.835 1.00 0.00 N ATOM 0 H HIS C 8 24.990 18.543 -13.603 1.00 0.00 H new ATOM 0 HA HIS C 8 23.492 16.681 -15.284 1.00 0.00 H new ATOM 0 HB2 HIS C 8 26.104 16.080 -13.912 1.00 0.00 H new ATOM 0 HB3 HIS C 8 24.875 14.834 -14.003 1.00 0.00 H new ATOM 0 HD2 HIS C 8 27.383 16.679 -16.344 1.00 0.00 H new ATOM 0 HE1 HIS C 8 25.400 13.708 -18.624 1.00 0.00 H new ATOM 0 HE2 HIS C 8 27.298 15.402 -18.614 1.00 0.00 H new ATOM 751 N HIS C 9 22.032 16.847 -13.267 1.00 0.00 N ATOM 752 CA HIS C 9 21.125 16.616 -12.154 1.00 0.00 C ATOM 753 C HIS C 9 20.932 15.117 -11.975 1.00 0.00 C ATOM 754 O HIS C 9 20.087 14.504 -12.631 1.00 0.00 O ATOM 755 CB HIS C 9 19.780 17.310 -12.391 1.00 0.00 C ATOM 756 CG HIS C 9 19.872 18.806 -12.443 1.00 0.00 C ATOM 757 ND1 HIS C 9 19.153 19.571 -13.333 1.00 0.00 N ATOM 758 CD2 HIS C 9 20.594 19.680 -11.699 1.00 0.00 C ATOM 759 CE1 HIS C 9 19.425 20.845 -13.138 1.00 0.00 C ATOM 760 NE2 HIS C 9 20.296 20.940 -12.152 1.00 0.00 N ATOM 0 H HIS C 9 21.577 17.164 -14.123 1.00 0.00 H new ATOM 0 HA HIS C 9 21.556 17.038 -11.246 1.00 0.00 H new ATOM 0 HB2 HIS C 9 19.355 16.949 -13.328 1.00 0.00 H new ATOM 0 HB3 HIS C 9 19.090 17.025 -11.597 1.00 0.00 H new ATOM 0 HD2 HIS C 9 21.276 19.431 -10.899 1.00 0.00 H new ATOM 0 HE1 HIS C 9 19.006 21.672 -13.692 1.00 0.00 H new ATOM 0 HE2 HIS C 9 20.685 21.809 -11.786 1.00 0.00 H new ATOM 769 N VAL C 10 21.733 14.546 -11.085 1.00 0.00 N ATOM 770 CA VAL C 10 21.849 13.099 -10.934 1.00 0.00 C ATOM 771 C VAL C 10 20.517 12.416 -10.647 1.00 0.00 C ATOM 772 O VAL C 10 19.601 12.986 -10.051 1.00 0.00 O ATOM 773 CB VAL C 10 22.876 12.744 -9.832 1.00 0.00 C ATOM 774 CG1 VAL C 10 22.533 13.432 -8.519 1.00 0.00 C ATOM 775 CG2 VAL C 10 23.004 11.238 -9.628 1.00 0.00 C ATOM 0 H VAL C 10 22.324 15.075 -10.444 1.00 0.00 H new ATOM 0 HA VAL C 10 22.198 12.721 -11.895 1.00 0.00 H new ATOM 0 HB VAL C 10 23.843 13.112 -10.174 1.00 0.00 H new ATOM 0 HG11 VAL C 10 23.272 13.164 -7.764 1.00 0.00 H new ATOM 0 HG12 VAL C 10 22.537 14.512 -8.663 1.00 0.00 H new ATOM 0 HG13 VAL C 10 21.544 13.113 -8.189 1.00 0.00 H new ATOM 0 HG21 VAL C 10 23.736 11.038 -8.845 1.00 0.00 H new ATOM 0 HG22 VAL C 10 22.038 10.827 -9.335 1.00 0.00 H new ATOM 0 HG23 VAL C 10 23.330 10.771 -10.558 1.00 0.00 H new ATOM 785 N ASP C 11 20.447 11.186 -11.107 1.00 0.00 N ATOM 786 CA ASP C 11 19.293 10.317 -10.916 1.00 0.00 C ATOM 787 C ASP C 11 19.789 8.930 -10.542 1.00 0.00 C ATOM 788 O ASP C 11 19.535 8.450 -9.436 1.00 0.00 O ATOM 789 CB ASP C 11 18.446 10.256 -12.191 1.00 0.00 C ATOM 790 CG ASP C 11 17.334 9.227 -12.104 1.00 0.00 C ATOM 791 OD1 ASP C 11 16.332 9.482 -11.402 1.00 0.00 O ATOM 792 OD2 ASP C 11 17.448 8.168 -12.752 1.00 0.00 O ATOM 0 H ASP C 11 21.202 10.748 -11.635 1.00 0.00 H new ATOM 0 HA ASP C 11 18.664 10.713 -10.118 1.00 0.00 H new ATOM 0 HB2 ASP C 11 18.013 11.238 -12.383 1.00 0.00 H new ATOM 0 HB3 ASP C 11 19.089 10.020 -13.039 1.00 0.00 H new ATOM 797 N ASP C 12 20.510 8.311 -11.478 1.00 0.00 N ATOM 798 CA ASP C 12 21.252 7.069 -11.234 1.00 0.00 C ATOM 799 C ASP C 12 20.330 5.866 -11.051 1.00 0.00 C ATOM 800 O ASP C 12 19.419 5.873 -10.219 1.00 0.00 O ATOM 801 CB ASP C 12 22.179 7.230 -10.021 1.00 0.00 C ATOM 802 CG ASP C 12 23.058 6.019 -9.785 1.00 0.00 C ATOM 803 OD1 ASP C 12 23.815 5.641 -10.705 1.00 0.00 O ATOM 804 OD2 ASP C 12 23.023 5.461 -8.666 1.00 0.00 O ATOM 0 H ASP C 12 20.597 8.658 -12.433 1.00 0.00 H new ATOM 0 HA ASP C 12 21.855 6.874 -12.121 1.00 0.00 H new ATOM 0 HB2 ASP C 12 22.809 8.107 -10.166 1.00 0.00 H new ATOM 0 HB3 ASP C 12 21.576 7.414 -9.132 1.00 0.00 H new ATOM 809 N ASP C 13 20.585 4.818 -11.828 1.00 0.00 N ATOM 810 CA ASP C 13 19.812 3.582 -11.738 1.00 0.00 C ATOM 811 C ASP C 13 20.251 2.773 -10.524 1.00 0.00 C ATOM 812 O ASP C 13 20.729 1.643 -10.640 1.00 0.00 O ATOM 813 CB ASP C 13 19.958 2.740 -13.012 1.00 0.00 C ATOM 814 CG ASP C 13 19.256 3.346 -14.213 1.00 0.00 C ATOM 815 OD1 ASP C 13 19.886 4.149 -14.933 1.00 0.00 O ATOM 816 OD2 ASP C 13 18.073 3.009 -14.455 1.00 0.00 O ATOM 0 H ASP C 13 21.324 4.799 -12.530 1.00 0.00 H new ATOM 0 HA ASP C 13 18.761 3.851 -11.628 1.00 0.00 H new ATOM 0 HB2 ASP C 13 21.017 2.620 -13.241 1.00 0.00 H new ATOM 0 HB3 ASP C 13 19.556 1.743 -12.829 1.00 0.00 H new ATOM 821 N ASP C 14 20.110 3.382 -9.360 1.00 0.00 N ATOM 822 CA ASP C 14 20.429 2.746 -8.095 1.00 0.00 C ATOM 823 C ASP C 14 19.239 1.937 -7.606 1.00 0.00 C ATOM 824 O ASP C 14 19.359 1.070 -6.742 1.00 0.00 O ATOM 825 CB ASP C 14 20.790 3.830 -7.085 1.00 0.00 C ATOM 826 CG ASP C 14 21.066 3.292 -5.699 1.00 0.00 C ATOM 827 OD1 ASP C 14 22.120 2.645 -5.509 1.00 0.00 O ATOM 828 OD2 ASP C 14 20.244 3.536 -4.788 1.00 0.00 O ATOM 0 H ASP C 14 19.768 4.339 -9.266 1.00 0.00 H new ATOM 0 HA ASP C 14 21.273 2.067 -8.219 1.00 0.00 H new ATOM 0 HB2 ASP C 14 21.669 4.368 -7.439 1.00 0.00 H new ATOM 0 HB3 ASP C 14 19.975 4.552 -7.031 1.00 0.00 H new ATOM 833 N LYS C 15 18.091 2.231 -8.193 1.00 0.00 N ATOM 834 CA LYS C 15 16.839 1.594 -7.833 1.00 0.00 C ATOM 835 C LYS C 15 16.804 0.139 -8.304 1.00 0.00 C ATOM 836 O LYS C 15 17.688 -0.307 -9.039 1.00 0.00 O ATOM 837 CB LYS C 15 15.703 2.382 -8.456 1.00 0.00 C ATOM 838 CG LYS C 15 15.846 3.870 -8.213 1.00 0.00 C ATOM 839 CD LYS C 15 15.038 4.691 -9.205 1.00 0.00 C ATOM 840 CE LYS C 15 15.241 6.186 -9.002 1.00 0.00 C ATOM 841 NZ LYS C 15 14.712 6.656 -7.693 1.00 0.00 N ATOM 0 H LYS C 15 18.003 2.923 -8.937 1.00 0.00 H new ATOM 0 HA LYS C 15 16.736 1.585 -6.748 1.00 0.00 H new ATOM 0 HB2 LYS C 15 15.674 2.191 -9.529 1.00 0.00 H new ATOM 0 HB3 LYS C 15 14.754 2.037 -8.045 1.00 0.00 H new ATOM 0 HG2 LYS C 15 15.521 4.104 -7.199 1.00 0.00 H new ATOM 0 HG3 LYS C 15 16.897 4.149 -8.283 1.00 0.00 H new ATOM 0 HD2 LYS C 15 15.326 4.420 -10.221 1.00 0.00 H new ATOM 0 HD3 LYS C 15 13.980 4.450 -9.099 1.00 0.00 H new ATOM 0 HE2 LYS C 15 16.304 6.418 -9.066 1.00 0.00 H new ATOM 0 HE3 LYS C 15 14.747 6.730 -9.807 1.00 0.00 H new ATOM 0 HZ1 LYS C 15 14.526 7.678 -7.741 1.00 0.00 H new ATOM 0 HZ2 LYS C 15 13.828 6.153 -7.475 1.00 0.00 H new ATOM 0 HZ3 LYS C 15 15.412 6.466 -6.947 1.00 0.00 H new ATOM 855 N MET C 16 15.775 -0.595 -7.898 1.00 0.00 N ATOM 856 CA MET C 16 15.703 -2.018 -8.191 1.00 0.00 C ATOM 857 C MET C 16 14.283 -2.465 -8.544 1.00 0.00 C ATOM 858 O MET C 16 14.105 -3.330 -9.401 1.00 0.00 O ATOM 859 CB MET C 16 16.231 -2.832 -7.005 1.00 0.00 C ATOM 860 CG MET C 16 16.284 -4.330 -7.264 1.00 0.00 C ATOM 861 SD MET C 16 17.011 -5.250 -5.893 1.00 0.00 S ATOM 862 CE MET C 16 16.907 -6.925 -6.520 1.00 0.00 C ATOM 0 H MET C 16 14.984 -0.229 -7.368 1.00 0.00 H new ATOM 0 HA MET C 16 16.329 -2.200 -9.064 1.00 0.00 H new ATOM 0 HB2 MET C 16 17.231 -2.481 -6.752 1.00 0.00 H new ATOM 0 HB3 MET C 16 15.598 -2.645 -6.137 1.00 0.00 H new ATOM 0 HG2 MET C 16 15.275 -4.698 -7.448 1.00 0.00 H new ATOM 0 HG3 MET C 16 16.862 -4.518 -8.169 1.00 0.00 H new ATOM 0 HE1 MET C 16 17.319 -7.615 -5.784 1.00 0.00 H new ATOM 0 HE2 MET C 16 15.864 -7.178 -6.711 1.00 0.00 H new ATOM 0 HE3 MET C 16 17.475 -7.002 -7.447 1.00 0.00 H new ATOM 872 N LEU C 17 13.266 -1.895 -7.899 1.00 0.00 N ATOM 873 CA LEU C 17 11.900 -2.319 -8.155 1.00 0.00 C ATOM 874 C LEU C 17 11.148 -1.253 -8.907 1.00 0.00 C ATOM 875 O LEU C 17 11.200 -0.070 -8.568 1.00 0.00 O ATOM 876 CB LEU C 17 11.172 -2.594 -6.861 1.00 0.00 C ATOM 877 CG LEU C 17 12.035 -3.115 -5.722 1.00 0.00 C ATOM 878 CD1 LEU C 17 11.338 -2.859 -4.409 1.00 0.00 C ATOM 879 CD2 LEU C 17 12.328 -4.597 -5.893 1.00 0.00 C ATOM 0 H LEU C 17 13.363 -1.151 -7.208 1.00 0.00 H new ATOM 0 HA LEU C 17 11.946 -3.231 -8.750 1.00 0.00 H new ATOM 0 HB2 LEU C 17 10.687 -1.674 -6.535 1.00 0.00 H new ATOM 0 HB3 LEU C 17 10.382 -3.319 -7.056 1.00 0.00 H new ATOM 0 HG LEU C 17 12.989 -2.588 -5.732 1.00 0.00 H new ATOM 0 HD11 LEU C 17 11.955 -3.232 -3.591 1.00 0.00 H new ATOM 0 HD12 LEU C 17 11.179 -1.788 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU C 17 10.376 -3.372 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU C 17 12.947 -4.943 -5.065 1.00 0.00 H new ATOM 0 HD22 LEU C 17 11.391 -5.154 -5.904 1.00 0.00 H new ATOM 0 HD23 LEU C 17 12.857 -4.757 -6.833 1.00 0.00 H new ATOM 891 N GLU C 18 10.435 -1.687 -9.911 1.00 0.00 N ATOM 892 CA GLU C 18 9.601 -0.841 -10.670 1.00 0.00 C ATOM 893 C GLU C 18 8.244 -0.826 -10.035 1.00 0.00 C ATOM 894 O GLU C 18 7.408 -1.690 -10.292 1.00 0.00 O ATOM 895 CB GLU C 18 9.561 -1.384 -12.055 1.00 0.00 C ATOM 896 CG GLU C 18 10.905 -1.364 -12.765 1.00 0.00 C ATOM 897 CD GLU C 18 10.904 -2.188 -14.033 1.00 0.00 C ATOM 898 OE1 GLU C 18 10.992 -3.432 -13.937 1.00 0.00 O ATOM 899 OE2 GLU C 18 10.807 -1.604 -15.132 1.00 0.00 O ATOM 0 H GLU C 18 10.428 -2.660 -10.218 1.00 0.00 H new ATOM 0 HA GLU C 18 9.967 0.185 -10.704 1.00 0.00 H new ATOM 0 HB2 GLU C 18 9.194 -2.410 -12.022 1.00 0.00 H new ATOM 0 HB3 GLU C 18 8.844 -0.808 -12.640 1.00 0.00 H new ATOM 0 HG2 GLU C 18 11.170 -0.334 -13.005 1.00 0.00 H new ATOM 0 HG3 GLU C 18 11.674 -1.742 -12.091 1.00 0.00 H new ATOM 906 N VAL C 19 8.041 0.140 -9.180 1.00 0.00 N ATOM 907 CA VAL C 19 6.864 0.174 -8.380 1.00 0.00 C ATOM 908 C VAL C 19 5.725 0.658 -9.231 1.00 0.00 C ATOM 909 O VAL C 19 5.830 1.689 -9.870 1.00 0.00 O ATOM 910 CB VAL C 19 7.073 1.114 -7.191 1.00 0.00 C ATOM 911 CG1 VAL C 19 5.751 1.674 -6.700 1.00 0.00 C ATOM 912 CG2 VAL C 19 7.779 0.411 -6.051 1.00 0.00 C ATOM 0 H VAL C 19 8.685 0.915 -9.025 1.00 0.00 H new ATOM 0 HA VAL C 19 6.640 -0.822 -7.997 1.00 0.00 H new ATOM 0 HB VAL C 19 7.700 1.936 -7.538 1.00 0.00 H new ATOM 0 HG11 VAL C 19 5.929 2.339 -5.855 1.00 0.00 H new ATOM 0 HG12 VAL C 19 5.270 2.231 -7.504 1.00 0.00 H new ATOM 0 HG13 VAL C 19 5.103 0.855 -6.388 1.00 0.00 H new ATOM 0 HG21 VAL C 19 7.912 1.106 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL C 19 7.180 -0.438 -5.720 1.00 0.00 H new ATOM 0 HG23 VAL C 19 8.753 0.058 -6.389 1.00 0.00 H new ATOM 922 N LEU C 20 4.676 -0.105 -9.313 1.00 0.00 N ATOM 923 CA LEU C 20 3.496 0.360 -9.952 1.00 0.00 C ATOM 924 C LEU C 20 2.464 0.579 -8.862 1.00 0.00 C ATOM 925 O LEU C 20 2.487 -0.111 -7.852 1.00 0.00 O ATOM 926 CB LEU C 20 3.029 -0.656 -10.989 1.00 0.00 C ATOM 927 CG LEU C 20 4.092 -1.595 -11.577 1.00 0.00 C ATOM 928 CD1 LEU C 20 3.435 -2.619 -12.489 1.00 0.00 C ATOM 929 CD2 LEU C 20 5.146 -0.823 -12.347 1.00 0.00 C ATOM 0 H LEU C 20 4.620 -1.054 -8.942 1.00 0.00 H new ATOM 0 HA LEU C 20 3.667 1.293 -10.489 1.00 0.00 H new ATOM 0 HB2 LEU C 20 2.250 -1.269 -10.535 1.00 0.00 H new ATOM 0 HB3 LEU C 20 2.567 -0.111 -11.812 1.00 0.00 H new ATOM 0 HG LEU C 20 4.583 -2.106 -10.749 1.00 0.00 H new ATOM 0 HD11 LEU C 20 4.197 -3.281 -12.901 1.00 0.00 H new ATOM 0 HD12 LEU C 20 2.715 -3.206 -11.918 1.00 0.00 H new ATOM 0 HD13 LEU C 20 2.921 -2.106 -13.302 1.00 0.00 H new ATOM 0 HD21 LEU C 20 5.883 -1.517 -12.750 1.00 0.00 H new ATOM 0 HD22 LEU C 20 4.674 -0.280 -13.165 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.640 -0.117 -11.680 1.00 0.00 H new ATOM 941 N VAL C 21 1.611 1.564 -9.029 1.00 0.00 N ATOM 942 CA VAL C 21 0.683 1.972 -7.978 1.00 0.00 C ATOM 943 C VAL C 21 -0.588 2.563 -8.607 1.00 0.00 C ATOM 944 O VAL C 21 -0.511 3.493 -9.408 1.00 0.00 O ATOM 945 CB VAL C 21 1.365 3.045 -7.089 1.00 0.00 C ATOM 946 CG1 VAL C 21 0.376 3.769 -6.209 1.00 0.00 C ATOM 947 CG2 VAL C 21 2.466 2.435 -6.230 1.00 0.00 C ATOM 0 H VAL C 21 1.534 2.107 -9.889 1.00 0.00 H new ATOM 0 HA VAL C 21 0.414 1.106 -7.374 1.00 0.00 H new ATOM 0 HB VAL C 21 1.807 3.772 -7.770 1.00 0.00 H new ATOM 0 HG11 VAL C 21 0.900 4.510 -5.605 1.00 0.00 H new ATOM 0 HG12 VAL C 21 -0.367 4.268 -6.831 1.00 0.00 H new ATOM 0 HG13 VAL C 21 -0.120 3.053 -5.554 1.00 0.00 H new ATOM 0 HG21 VAL C 21 2.924 3.213 -5.619 1.00 0.00 H new ATOM 0 HG22 VAL C 21 2.040 1.669 -5.582 1.00 0.00 H new ATOM 0 HG23 VAL C 21 3.223 1.986 -6.873 1.00 0.00 H new ATOM 957 N LYS C 22 -1.750 2.027 -8.252 1.00 0.00 N ATOM 958 CA LYS C 22 -3.011 2.501 -8.802 1.00 0.00 C ATOM 959 C LYS C 22 -3.825 3.206 -7.745 1.00 0.00 C ATOM 960 O LYS C 22 -4.310 2.588 -6.796 1.00 0.00 O ATOM 961 CB LYS C 22 -3.890 1.374 -9.347 1.00 0.00 C ATOM 962 CG LYS C 22 -3.283 0.518 -10.438 1.00 0.00 C ATOM 963 CD LYS C 22 -4.351 -0.362 -11.076 1.00 0.00 C ATOM 964 CE LYS C 22 -3.952 -0.835 -12.469 1.00 0.00 C ATOM 965 NZ LYS C 22 -5.054 -1.575 -13.140 1.00 0.00 N ATOM 0 H LYS C 22 -1.843 1.262 -7.584 1.00 0.00 H new ATOM 0 HA LYS C 22 -2.732 3.171 -9.615 1.00 0.00 H new ATOM 0 HB2 LYS C 22 -4.167 0.724 -8.517 1.00 0.00 H new ATOM 0 HB3 LYS C 22 -4.811 1.813 -9.729 1.00 0.00 H new ATOM 0 HG2 LYS C 22 -2.825 1.154 -11.196 1.00 0.00 H new ATOM 0 HG3 LYS C 22 -2.490 -0.104 -10.023 1.00 0.00 H new ATOM 0 HD2 LYS C 22 -4.534 -1.227 -10.439 1.00 0.00 H new ATOM 0 HD3 LYS C 22 -5.287 0.193 -11.137 1.00 0.00 H new ATOM 0 HE2 LYS C 22 -3.669 0.024 -13.077 1.00 0.00 H new ATOM 0 HE3 LYS C 22 -3.074 -1.478 -12.397 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 -4.840 -1.672 -14.153 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 -5.148 -2.519 -12.714 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 -5.945 -1.052 -13.023 1.00 0.00 H new ATOM 979 N THR C 23 -3.958 4.493 -7.901 1.00 0.00 N ATOM 980 CA THR C 23 -4.956 5.233 -7.178 1.00 0.00 C ATOM 981 C THR C 23 -6.306 5.111 -7.868 1.00 0.00 C ATOM 982 O THR C 23 -6.653 5.897 -8.755 1.00 0.00 O ATOM 983 CB THR C 23 -4.585 6.693 -7.077 1.00 0.00 C ATOM 984 OG1 THR C 23 -3.532 6.977 -8.008 1.00 0.00 O ATOM 985 CG2 THR C 23 -4.157 7.037 -5.671 1.00 0.00 C ATOM 0 H THR C 23 -3.383 5.056 -8.528 1.00 0.00 H new ATOM 0 HA THR C 23 -5.015 4.813 -6.174 1.00 0.00 H new ATOM 0 HB THR C 23 -5.455 7.303 -7.320 1.00 0.00 H new ATOM 0 HG1 THR C 23 -3.014 7.746 -7.691 1.00 0.00 H new ATOM 0 HG21 THR C 23 -3.894 8.093 -5.619 1.00 0.00 H new ATOM 0 HG22 THR C 23 -4.976 6.833 -4.981 1.00 0.00 H new ATOM 0 HG23 THR C 23 -3.292 6.434 -5.396 1.00 0.00 H new ATOM 993 N LEU C 24 -7.012 4.071 -7.488 1.00 0.00 N ATOM 994 CA LEU C 24 -8.363 3.784 -7.951 1.00 0.00 C ATOM 995 C LEU C 24 -8.429 3.539 -9.446 1.00 0.00 C ATOM 996 O LEU C 24 -9.483 3.642 -10.076 1.00 0.00 O ATOM 997 CB LEU C 24 -9.303 4.874 -7.518 1.00 0.00 C ATOM 998 CG LEU C 24 -10.170 4.463 -6.331 1.00 0.00 C ATOM 999 CD1 LEU C 24 -10.388 5.610 -5.351 1.00 0.00 C ATOM 1000 CD2 LEU C 24 -11.495 3.904 -6.808 1.00 0.00 C ATOM 0 H LEU C 24 -6.658 3.377 -6.829 1.00 0.00 H new ATOM 0 HA LEU C 24 -8.680 2.851 -7.485 1.00 0.00 H new ATOM 0 HB2 LEU C 24 -8.728 5.761 -7.253 1.00 0.00 H new ATOM 0 HB3 LEU C 24 -9.945 5.149 -8.355 1.00 0.00 H new ATOM 0 HG LEU C 24 -9.632 3.682 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU C 24 -11.011 5.269 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU C 24 -9.426 5.947 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU C 24 -10.884 6.436 -5.862 1.00 0.00 H new ATOM 0 HD21 LEU C 24 -12.099 3.616 -5.948 1.00 0.00 H new ATOM 0 HD22 LEU C 24 -12.023 4.663 -7.385 1.00 0.00 H new ATOM 0 HD23 LEU C 24 -11.317 3.030 -7.435 1.00 0.00 H new ATOM 1012 N ASP C 25 -7.265 3.242 -9.977 1.00 0.00 N ATOM 1013 CA ASP C 25 -7.074 2.763 -11.354 1.00 0.00 C ATOM 1014 C ASP C 25 -7.186 3.903 -12.353 1.00 0.00 C ATOM 1015 O ASP C 25 -6.740 3.791 -13.492 1.00 0.00 O ATOM 1016 CB ASP C 25 -8.064 1.637 -11.688 1.00 0.00 C ATOM 1017 CG ASP C 25 -7.876 1.069 -13.084 1.00 0.00 C ATOM 1018 OD1 ASP C 25 -6.839 0.416 -13.335 1.00 0.00 O ATOM 1019 OD2 ASP C 25 -8.772 1.258 -13.932 1.00 0.00 O ATOM 0 H ASP C 25 -6.390 3.325 -9.459 1.00 0.00 H new ATOM 0 HA ASP C 25 -6.066 2.355 -11.427 1.00 0.00 H new ATOM 0 HB2 ASP C 25 -7.952 0.835 -10.958 1.00 0.00 H new ATOM 0 HB3 ASP C 25 -9.081 2.016 -11.591 1.00 0.00 H new ATOM 1024 N SER C 26 -7.752 5.014 -11.908 1.00 0.00 N ATOM 1025 CA SER C 26 -7.857 6.200 -12.742 1.00 0.00 C ATOM 1026 C SER C 26 -6.470 6.736 -13.113 1.00 0.00 C ATOM 1027 O SER C 26 -6.283 7.328 -14.178 1.00 0.00 O ATOM 1028 CB SER C 26 -8.665 7.268 -12.010 1.00 0.00 C ATOM 1029 OG SER C 26 -9.943 6.769 -11.650 1.00 0.00 O ATOM 0 H SER C 26 -8.146 5.119 -10.973 1.00 0.00 H new ATOM 0 HA SER C 26 -8.368 5.934 -13.667 1.00 0.00 H new ATOM 0 HB2 SER C 26 -8.129 7.588 -11.117 1.00 0.00 H new ATOM 0 HB3 SER C 26 -8.778 8.146 -12.646 1.00 0.00 H new ATOM 0 HG SER C 26 -10.446 7.467 -11.180 1.00 0.00 H new ATOM 1035 N GLN C 27 -5.501 6.529 -12.227 1.00 0.00 N ATOM 1036 CA GLN C 27 -4.139 6.969 -12.473 1.00 0.00 C ATOM 1037 C GLN C 27 -3.231 5.817 -12.903 1.00 0.00 C ATOM 1038 O GLN C 27 -2.868 5.713 -14.074 1.00 0.00 O ATOM 1039 CB GLN C 27 -3.586 7.632 -11.224 1.00 0.00 C ATOM 1040 CG GLN C 27 -4.443 8.789 -10.780 1.00 0.00 C ATOM 1041 CD GLN C 27 -3.931 9.470 -9.541 1.00 0.00 C ATOM 1042 OE1 GLN C 27 -2.731 9.495 -9.271 1.00 0.00 O ATOM 1043 NE2 GLN C 27 -4.835 10.041 -8.783 1.00 0.00 N ATOM 0 H GLN C 27 -5.637 6.058 -11.332 1.00 0.00 H new ATOM 0 HA GLN C 27 -4.163 7.685 -13.294 1.00 0.00 H new ATOM 0 HB2 GLN C 27 -3.521 6.898 -10.421 1.00 0.00 H new ATOM 0 HB3 GLN C 27 -2.572 7.983 -11.417 1.00 0.00 H new ATOM 0 HG2 GLN C 27 -4.503 9.518 -11.588 1.00 0.00 H new ATOM 0 HG3 GLN C 27 -5.456 8.432 -10.597 1.00 0.00 H new ATOM 0 HE21 GLN C 27 -5.820 9.997 -9.043 1.00 0.00 H new ATOM 0 HE22 GLN C 27 -4.553 10.529 -7.933 1.00 0.00 H new ATOM 1052 N THR C 28 -2.907 4.940 -11.950 1.00 0.00 N ATOM 1053 CA THR C 28 -1.917 3.884 -12.140 1.00 0.00 C ATOM 1054 C THR C 28 -0.587 4.449 -12.634 1.00 0.00 C ATOM 1055 O THR C 28 -0.390 4.651 -13.836 1.00 0.00 O ATOM 1056 CB THR C 28 -2.389 2.832 -13.134 1.00 0.00 C ATOM 1057 OG1 THR C 28 -3.635 2.274 -12.708 1.00 0.00 O ATOM 1058 CG2 THR C 28 -1.317 1.759 -13.285 1.00 0.00 C ATOM 0 H THR C 28 -3.328 4.945 -11.021 1.00 0.00 H new ATOM 0 HA THR C 28 -1.782 3.420 -11.163 1.00 0.00 H new ATOM 0 HB THR C 28 -2.552 3.293 -14.108 1.00 0.00 H new ATOM 0 HG1 THR C 28 -4.175 2.043 -13.492 1.00 0.00 H new ATOM 0 HG21 THR C 28 -1.654 1.005 -13.997 1.00 0.00 H new ATOM 0 HG22 THR C 28 -0.395 2.214 -13.648 1.00 0.00 H new ATOM 0 HG23 THR C 28 -1.134 1.289 -12.319 1.00 0.00 H new ATOM 1066 N ARG C 29 0.329 4.705 -11.722 1.00 0.00 N ATOM 1067 CA ARG C 29 1.616 5.246 -12.107 1.00 0.00 C ATOM 1068 C ARG C 29 2.751 4.532 -11.388 1.00 0.00 C ATOM 1069 O ARG C 29 2.545 3.894 -10.355 1.00 0.00 O ATOM 1070 CB ARG C 29 1.668 6.747 -11.839 1.00 0.00 C ATOM 1071 CG ARG C 29 0.759 7.559 -12.736 1.00 0.00 C ATOM 1072 CD ARG C 29 0.685 9.019 -12.316 1.00 0.00 C ATOM 1073 NE ARG C 29 -0.115 9.809 -13.253 1.00 0.00 N ATOM 1074 CZ ARG C 29 -0.926 10.809 -12.898 1.00 0.00 C ATOM 1075 NH1 ARG C 29 -1.059 11.148 -11.623 1.00 0.00 N ATOM 1076 NH2 ARG C 29 -1.608 11.471 -13.824 1.00 0.00 N ATOM 0 H ARG C 29 0.209 4.549 -10.721 1.00 0.00 H new ATOM 0 HA ARG C 29 1.743 5.081 -13.177 1.00 0.00 H new ATOM 0 HB2 ARG C 29 1.396 6.931 -10.800 1.00 0.00 H new ATOM 0 HB3 ARG C 29 2.693 7.094 -11.966 1.00 0.00 H new ATOM 0 HG2 ARG C 29 1.117 7.497 -13.764 1.00 0.00 H new ATOM 0 HG3 ARG C 29 -0.242 7.128 -12.721 1.00 0.00 H new ATOM 0 HD2 ARG C 29 0.253 9.090 -11.318 1.00 0.00 H new ATOM 0 HD3 ARG C 29 1.692 9.433 -12.257 1.00 0.00 H new ATOM 0 HE ARG C 29 -0.049 9.580 -14.245 1.00 0.00 H new ATOM 0 HH11 ARG C 29 -0.540 10.644 -10.904 1.00 0.00 H new ATOM 0 HH12 ARG C 29 -1.681 11.913 -11.361 1.00 0.00 H new ATOM 0 HH21 ARG C 29 -1.513 11.216 -14.807 1.00 0.00 H new ATOM 0 HH22 ARG C 29 -2.227 12.235 -13.553 1.00 0.00 H new ATOM 1090 N THR C 30 3.940 4.630 -11.958 1.00 0.00 N ATOM 1091 CA THR C 30 5.088 3.927 -11.495 1.00 0.00 C ATOM 1092 C THR C 30 5.965 4.768 -10.571 1.00 0.00 C ATOM 1093 O THR C 30 6.060 5.984 -10.729 1.00 0.00 O ATOM 1094 CB THR C 30 5.885 3.512 -12.713 1.00 0.00 C ATOM 1095 OG1 THR C 30 5.957 4.596 -13.649 1.00 0.00 O ATOM 1096 CG2 THR C 30 5.263 2.307 -13.372 1.00 0.00 C ATOM 0 H THR C 30 4.121 5.217 -12.772 1.00 0.00 H new ATOM 0 HA THR C 30 4.760 3.068 -10.910 1.00 0.00 H new ATOM 0 HB THR C 30 6.893 3.250 -12.390 1.00 0.00 H new ATOM 0 HG1 THR C 30 6.476 4.318 -14.432 1.00 0.00 H new ATOM 0 HG21 THR C 30 5.852 2.026 -14.245 1.00 0.00 H new ATOM 0 HG22 THR C 30 5.241 1.477 -12.666 1.00 0.00 H new ATOM 0 HG23 THR C 30 4.246 2.546 -13.682 1.00 0.00 H new ATOM 1104 N PHE C 31 6.619 4.096 -9.628 1.00 0.00 N ATOM 1105 CA PHE C 31 7.434 4.746 -8.611 1.00 0.00 C ATOM 1106 C PHE C 31 8.697 3.967 -8.347 1.00 0.00 C ATOM 1107 O PHE C 31 8.918 3.465 -7.247 1.00 0.00 O ATOM 1108 CB PHE C 31 6.648 4.867 -7.324 1.00 0.00 C ATOM 1109 CG PHE C 31 5.458 5.717 -7.487 1.00 0.00 C ATOM 1110 CD1 PHE C 31 5.621 6.974 -8.005 1.00 0.00 C ATOM 1111 CD2 PHE C 31 4.198 5.276 -7.137 1.00 0.00 C ATOM 1112 CE1 PHE C 31 4.542 7.800 -8.183 1.00 0.00 C ATOM 1113 CE2 PHE C 31 3.111 6.090 -7.312 1.00 0.00 C ATOM 1114 CZ PHE C 31 3.278 7.360 -7.839 1.00 0.00 C ATOM 0 H PHE C 31 6.597 3.079 -9.549 1.00 0.00 H new ATOM 0 HA PHE C 31 7.704 5.736 -8.978 1.00 0.00 H new ATOM 0 HB2 PHE C 31 6.343 3.875 -6.990 1.00 0.00 H new ATOM 0 HB3 PHE C 31 7.288 5.283 -6.545 1.00 0.00 H new ATOM 0 HD1 PHE C 31 6.608 7.318 -8.276 1.00 0.00 H new ATOM 0 HD2 PHE C 31 4.069 4.286 -6.724 1.00 0.00 H new ATOM 0 HE1 PHE C 31 4.679 8.791 -8.590 1.00 0.00 H new ATOM 0 HE2 PHE C 31 2.125 5.742 -7.040 1.00 0.00 H new ATOM 0 HZ PHE C 31 2.423 8.004 -7.981 1.00 0.00 H new ATOM 1124 N ILE C 32 9.514 3.864 -9.361 1.00 0.00 N ATOM 1125 CA ILE C 32 10.715 3.074 -9.285 1.00 0.00 C ATOM 1126 C ILE C 32 11.665 3.520 -8.221 1.00 0.00 C ATOM 1127 O ILE C 32 12.148 4.653 -8.173 1.00 0.00 O ATOM 1128 CB ILE C 32 11.402 3.000 -10.626 1.00 0.00 C ATOM 1129 CG1 ILE C 32 10.480 2.307 -11.512 1.00 0.00 C ATOM 1130 CG2 ILE C 32 12.618 2.149 -10.552 1.00 0.00 C ATOM 1131 CD1 ILE C 32 9.873 3.132 -12.615 1.00 0.00 C ATOM 0 H ILE C 32 9.367 4.323 -10.260 1.00 0.00 H new ATOM 0 HA ILE C 32 10.393 2.073 -8.997 1.00 0.00 H new ATOM 0 HB ILE C 32 11.674 4.003 -10.956 1.00 0.00 H new ATOM 0 HG12 ILE C 32 11.005 1.465 -11.963 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.672 1.892 -10.909 1.00 0.00 H new ATOM 0 HG21 ILE C 32 13.096 2.111 -11.531 1.00 0.00 H new ATOM 0 HG22 ILE C 32 13.313 2.570 -9.825 1.00 0.00 H new ATOM 0 HG23 ILE C 32 12.339 1.141 -10.245 1.00 0.00 H new ATOM 0 HD11 ILE C 32 9.204 2.509 -13.209 1.00 0.00 H new ATOM 0 HD12 ILE C 32 9.310 3.959 -12.183 1.00 0.00 H new ATOM 0 HD13 ILE C 32 10.665 3.525 -13.253 1.00 0.00 H new ATOM 1143 N VAL C 33 11.880 2.571 -7.361 1.00 0.00 N ATOM 1144 CA VAL C 33 12.768 2.697 -6.225 1.00 0.00 C ATOM 1145 C VAL C 33 13.596 1.456 -6.030 1.00 0.00 C ATOM 1146 O VAL C 33 13.573 0.541 -6.846 1.00 0.00 O ATOM 1147 CB VAL C 33 11.977 2.946 -4.945 1.00 0.00 C ATOM 1148 CG1 VAL C 33 11.411 4.320 -5.019 1.00 0.00 C ATOM 1149 CG2 VAL C 33 10.865 1.918 -4.796 1.00 0.00 C ATOM 0 H VAL C 33 11.433 1.656 -7.425 1.00 0.00 H new ATOM 0 HA VAL C 33 13.425 3.542 -6.433 1.00 0.00 H new ATOM 0 HB VAL C 33 12.628 2.853 -4.076 1.00 0.00 H new ATOM 0 HG11 VAL C 33 10.839 4.527 -4.115 1.00 0.00 H new ATOM 0 HG12 VAL C 33 12.222 5.043 -5.109 1.00 0.00 H new ATOM 0 HG13 VAL C 33 10.758 4.398 -5.888 1.00 0.00 H new ATOM 0 HG21 VAL C 33 10.311 2.111 -3.877 1.00 0.00 H new ATOM 0 HG22 VAL C 33 10.189 1.987 -5.648 1.00 0.00 H new ATOM 0 HG23 VAL C 33 11.297 0.918 -4.756 1.00 0.00 H new ATOM 1159 N GLY C 34 14.315 1.433 -4.937 1.00 0.00 N ATOM 1160 CA GLY C 34 15.148 0.290 -4.628 1.00 0.00 C ATOM 1161 C GLY C 34 14.441 -0.698 -3.720 1.00 0.00 C ATOM 1162 O GLY C 34 13.342 -0.430 -3.246 1.00 0.00 O ATOM 0 H GLY C 34 14.344 2.185 -4.248 1.00 0.00 H new ATOM 0 HA2 GLY C 34 15.436 -0.209 -5.553 1.00 0.00 H new ATOM 0 HA3 GLY C 34 16.067 0.629 -4.149 1.00 0.00 H new ATOM 1166 N ALA C 35 15.079 -1.820 -3.442 1.00 0.00 N ATOM 1167 CA ALA C 35 14.417 -2.930 -2.767 1.00 0.00 C ATOM 1168 C ALA C 35 14.535 -2.874 -1.269 1.00 0.00 C ATOM 1169 O ALA C 35 14.865 -3.894 -0.668 1.00 0.00 O ATOM 1170 CB ALA C 35 15.020 -4.229 -3.191 1.00 0.00 C ATOM 0 H ALA C 35 16.058 -1.991 -3.673 1.00 0.00 H new ATOM 0 HA ALA C 35 13.367 -2.850 -3.047 1.00 0.00 H new ATOM 0 HB1 ALA C 35 14.516 -5.049 -2.679 1.00 0.00 H new ATOM 0 HB2 ALA C 35 14.905 -4.349 -4.268 1.00 0.00 H new ATOM 0 HB3 ALA C 35 16.080 -4.239 -2.936 1.00 0.00 H new ATOM 1176 N GLN C 36 14.211 -1.719 -0.697 1.00 0.00 N ATOM 1177 CA GLN C 36 14.439 -1.413 0.731 1.00 0.00 C ATOM 1178 C GLN C 36 14.930 0.011 0.868 1.00 0.00 C ATOM 1179 O GLN C 36 15.244 0.468 1.964 1.00 0.00 O ATOM 1180 CB GLN C 36 15.457 -2.370 1.341 1.00 0.00 C ATOM 1181 CG GLN C 36 14.892 -3.366 2.296 1.00 0.00 C ATOM 1182 CD GLN C 36 15.878 -4.471 2.431 1.00 0.00 C ATOM 1183 OE1 GLN C 36 17.114 -4.122 2.119 1.00 0.00 O flip ATOM 1184 NE2 GLN C 36 15.539 -5.613 2.752 1.00 0.00 N flip ATOM 0 H GLN C 36 13.776 -0.952 -1.210 1.00 0.00 H new ATOM 0 HA GLN C 36 13.497 -1.533 1.266 1.00 0.00 H new ATOM 0 HB2 GLN C 36 15.958 -2.906 0.535 1.00 0.00 H new ATOM 0 HB3 GLN C 36 16.219 -1.786 1.857 1.00 0.00 H new ATOM 0 HG2 GLN C 36 14.702 -2.903 3.264 1.00 0.00 H new ATOM 0 HG3 GLN C 36 13.938 -3.747 1.932 1.00 0.00 H new ATOM 0 HE21 GLN C 36 14.565 -5.811 2.980 1.00 0.00 H new ATOM 0 HE22 GLN C 36 16.233 -6.360 2.789 1.00 0.00 H new ATOM 1193 N MET C 37 15.009 0.690 -0.274 1.00 0.00 N ATOM 1194 CA MET C 37 15.360 2.085 -0.340 1.00 0.00 C ATOM 1195 C MET C 37 14.622 2.903 0.710 1.00 0.00 C ATOM 1196 O MET C 37 15.226 3.378 1.668 1.00 0.00 O ATOM 1197 CB MET C 37 15.042 2.556 -1.732 1.00 0.00 C ATOM 1198 CG MET C 37 14.979 4.045 -1.902 1.00 0.00 C ATOM 1199 SD MET C 37 16.506 4.895 -1.453 1.00 0.00 S ATOM 1200 CE MET C 37 17.693 4.036 -2.483 1.00 0.00 C ATOM 0 H MET C 37 14.826 0.270 -1.186 1.00 0.00 H new ATOM 0 HA MET C 37 16.420 2.218 -0.126 1.00 0.00 H new ATOM 0 HB2 MET C 37 15.795 2.160 -2.414 1.00 0.00 H new ATOM 0 HB3 MET C 37 14.084 2.131 -2.033 1.00 0.00 H new ATOM 0 HG2 MET C 37 14.739 4.273 -2.941 1.00 0.00 H new ATOM 0 HG3 MET C 37 14.164 4.437 -1.293 1.00 0.00 H new ATOM 0 HE1 MET C 37 18.620 4.607 -2.524 1.00 0.00 H new ATOM 0 HE2 MET C 37 17.892 3.050 -2.063 1.00 0.00 H new ATOM 0 HE3 MET C 37 17.290 3.927 -3.490 1.00 0.00 H new ATOM 1210 N ASN C 38 13.323 3.075 0.535 1.00 0.00 N ATOM 1211 CA ASN C 38 12.523 3.742 1.541 1.00 0.00 C ATOM 1212 C ASN C 38 11.205 3.058 1.795 1.00 0.00 C ATOM 1213 O ASN C 38 11.155 2.047 2.486 1.00 0.00 O ATOM 1214 CB ASN C 38 12.286 5.191 1.158 1.00 0.00 C ATOM 1215 CG ASN C 38 13.417 6.088 1.606 1.00 0.00 C ATOM 1216 OD1 ASN C 38 13.478 6.476 2.767 1.00 0.00 O ATOM 1217 ND2 ASN C 38 14.306 6.439 0.692 1.00 0.00 N ATOM 0 H ASN C 38 12.806 2.764 -0.287 1.00 0.00 H new ATOM 0 HA ASN C 38 13.093 3.694 2.469 1.00 0.00 H new ATOM 0 HB2 ASN C 38 12.171 5.266 0.077 1.00 0.00 H new ATOM 0 HB3 ASN C 38 11.352 5.535 1.603 1.00 0.00 H new ATOM 0 HD21 ASN C 38 15.079 7.055 0.943 1.00 0.00 H new ATOM 0 HD22 ASN C 38 14.219 6.093 -0.264 1.00 0.00 H new ATOM 1224 N VAL C 39 10.176 3.606 1.173 1.00 0.00 N ATOM 1225 CA VAL C 39 8.778 3.386 1.525 1.00 0.00 C ATOM 1226 C VAL C 39 8.291 4.481 2.454 1.00 0.00 C ATOM 1227 O VAL C 39 7.123 4.843 2.450 1.00 0.00 O ATOM 1228 CB VAL C 39 8.447 2.013 2.104 1.00 0.00 C ATOM 1229 CG1 VAL C 39 8.373 2.117 3.587 1.00 0.00 C ATOM 1230 CG2 VAL C 39 7.125 1.565 1.548 1.00 0.00 C ATOM 0 H VAL C 39 10.291 4.239 0.381 1.00 0.00 H new ATOM 0 HA VAL C 39 8.245 3.420 0.575 1.00 0.00 H new ATOM 0 HB VAL C 39 9.216 1.288 1.837 1.00 0.00 H new ATOM 0 HG11 VAL C 39 8.137 1.140 4.009 1.00 0.00 H new ATOM 0 HG12 VAL C 39 9.332 2.458 3.976 1.00 0.00 H new ATOM 0 HG13 VAL C 39 7.596 2.829 3.863 1.00 0.00 H new ATOM 0 HG21 VAL C 39 6.874 0.584 1.952 1.00 0.00 H new ATOM 0 HG22 VAL C 39 6.352 2.281 1.826 1.00 0.00 H new ATOM 0 HG23 VAL C 39 7.189 1.504 0.462 1.00 0.00 H new ATOM 1240 N LYS C 40 9.209 5.014 3.225 1.00 0.00 N ATOM 1241 CA LYS C 40 8.945 6.099 4.102 1.00 0.00 C ATOM 1242 C LYS C 40 8.949 7.373 3.302 1.00 0.00 C ATOM 1243 O LYS C 40 7.910 7.976 3.033 1.00 0.00 O ATOM 1244 CB LYS C 40 10.024 6.151 5.180 1.00 0.00 C ATOM 1245 CG LYS C 40 10.465 4.818 5.715 1.00 0.00 C ATOM 1246 CD LYS C 40 11.741 4.311 5.062 1.00 0.00 C ATOM 1247 CE LYS C 40 12.279 3.092 5.792 1.00 0.00 C ATOM 1248 NZ LYS C 40 12.624 3.398 7.208 1.00 0.00 N ATOM 0 H LYS C 40 10.176 4.690 3.251 1.00 0.00 H new ATOM 0 HA LYS C 40 7.975 5.972 4.582 1.00 0.00 H new ATOM 0 HB2 LYS C 40 10.894 6.667 4.774 1.00 0.00 H new ATOM 0 HB3 LYS C 40 9.655 6.753 6.011 1.00 0.00 H new ATOM 0 HG2 LYS C 40 10.620 4.897 6.791 1.00 0.00 H new ATOM 0 HG3 LYS C 40 9.669 4.089 5.561 1.00 0.00 H new ATOM 0 HD2 LYS C 40 11.545 4.058 4.020 1.00 0.00 H new ATOM 0 HD3 LYS C 40 12.492 5.101 5.062 1.00 0.00 H new ATOM 0 HE2 LYS C 40 11.536 2.295 5.764 1.00 0.00 H new ATOM 0 HE3 LYS C 40 13.164 2.721 5.275 1.00 0.00 H new ATOM 0 HZ1 LYS C 40 13.308 2.697 7.558 1.00 0.00 H new ATOM 0 HZ2 LYS C 40 13.042 4.348 7.266 1.00 0.00 H new ATOM 0 HZ3 LYS C 40 11.763 3.363 7.790 1.00 0.00 H new ATOM 1262 N GLU C 41 10.140 7.743 2.884 1.00 0.00 N ATOM 1263 CA GLU C 41 10.332 8.850 2.012 1.00 0.00 C ATOM 1264 C GLU C 41 9.657 8.607 0.673 1.00 0.00 C ATOM 1265 O GLU C 41 9.246 9.540 -0.005 1.00 0.00 O ATOM 1266 CB GLU C 41 11.814 9.065 1.812 1.00 0.00 C ATOM 1267 CG GLU C 41 12.532 9.602 3.035 1.00 0.00 C ATOM 1268 CD GLU C 41 13.948 10.045 2.728 1.00 0.00 C ATOM 1269 OE1 GLU C 41 14.855 9.190 2.707 1.00 0.00 O ATOM 1270 OE2 GLU C 41 14.161 11.254 2.504 1.00 0.00 O ATOM 0 H GLU C 41 11.003 7.270 3.151 1.00 0.00 H new ATOM 0 HA GLU C 41 9.884 9.738 2.459 1.00 0.00 H new ATOM 0 HB2 GLU C 41 12.272 8.119 1.521 1.00 0.00 H new ATOM 0 HB3 GLU C 41 11.961 9.758 0.984 1.00 0.00 H new ATOM 0 HG2 GLU C 41 11.971 10.444 3.441 1.00 0.00 H new ATOM 0 HG3 GLU C 41 12.555 8.832 3.806 1.00 0.00 H new ATOM 1277 N PHE C 42 9.546 7.337 0.316 1.00 0.00 N ATOM 1278 CA PHE C 42 8.931 6.927 -0.930 1.00 0.00 C ATOM 1279 C PHE C 42 7.497 7.425 -1.012 1.00 0.00 C ATOM 1280 O PHE C 42 7.134 8.123 -1.954 1.00 0.00 O ATOM 1281 CB PHE C 42 8.980 5.403 -1.011 1.00 0.00 C ATOM 1282 CG PHE C 42 7.963 4.764 -1.920 1.00 0.00 C ATOM 1283 CD1 PHE C 42 6.719 4.390 -1.434 1.00 0.00 C ATOM 1284 CD2 PHE C 42 8.255 4.526 -3.246 1.00 0.00 C ATOM 1285 CE1 PHE C 42 5.786 3.798 -2.260 1.00 0.00 C ATOM 1286 CE2 PHE C 42 7.327 3.932 -4.079 1.00 0.00 C ATOM 1287 CZ PHE C 42 6.090 3.569 -3.583 1.00 0.00 C ATOM 0 H PHE C 42 9.882 6.561 0.887 1.00 0.00 H new ATOM 0 HA PHE C 42 9.474 7.359 -1.770 1.00 0.00 H new ATOM 0 HB2 PHE C 42 9.975 5.107 -1.344 1.00 0.00 H new ATOM 0 HB3 PHE C 42 8.847 5.000 -0.007 1.00 0.00 H new ATOM 0 HD1 PHE C 42 6.478 4.564 -0.396 1.00 0.00 H new ATOM 0 HD2 PHE C 42 9.221 4.807 -3.638 1.00 0.00 H new ATOM 0 HE1 PHE C 42 4.820 3.515 -1.870 1.00 0.00 H new ATOM 0 HE2 PHE C 42 7.568 3.752 -5.116 1.00 0.00 H new ATOM 0 HZ PHE C 42 5.362 3.106 -4.233 1.00 0.00 H new ATOM 1297 N LYS C 43 6.694 7.103 -0.004 1.00 0.00 N ATOM 1298 CA LYS C 43 5.297 7.490 -0.033 1.00 0.00 C ATOM 1299 C LYS C 43 5.140 8.990 0.123 1.00 0.00 C ATOM 1300 O LYS C 43 4.281 9.615 -0.500 1.00 0.00 O ATOM 1301 CB LYS C 43 4.488 6.726 1.008 1.00 0.00 C ATOM 1302 CG LYS C 43 4.965 6.867 2.437 1.00 0.00 C ATOM 1303 CD LYS C 43 4.241 5.872 3.329 1.00 0.00 C ATOM 1304 CE LYS C 43 2.905 6.411 3.808 1.00 0.00 C ATOM 1305 NZ LYS C 43 3.078 7.438 4.869 1.00 0.00 N ATOM 0 H LYS C 43 6.983 6.585 0.826 1.00 0.00 H new ATOM 0 HA LYS C 43 4.898 7.222 -1.011 1.00 0.00 H new ATOM 0 HB2 LYS C 43 3.452 7.061 0.955 1.00 0.00 H new ATOM 0 HB3 LYS C 43 4.495 5.669 0.744 1.00 0.00 H new ATOM 0 HG2 LYS C 43 6.041 6.698 2.488 1.00 0.00 H new ATOM 0 HG3 LYS C 43 4.785 7.882 2.790 1.00 0.00 H new ATOM 0 HD2 LYS C 43 4.083 4.942 2.782 1.00 0.00 H new ATOM 0 HD3 LYS C 43 4.866 5.634 4.189 1.00 0.00 H new ATOM 0 HE2 LYS C 43 2.364 6.844 2.967 1.00 0.00 H new ATOM 0 HE3 LYS C 43 2.297 5.591 4.190 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 2.313 8.139 4.801 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 3.047 6.981 5.803 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 3.995 7.913 4.746 1.00 0.00 H new ATOM 1319 N GLU C 44 5.990 9.552 0.954 1.00 0.00 N ATOM 1320 CA GLU C 44 6.064 10.995 1.135 1.00 0.00 C ATOM 1321 C GLU C 44 6.312 11.686 -0.211 1.00 0.00 C ATOM 1322 O GLU C 44 5.666 12.677 -0.543 1.00 0.00 O ATOM 1323 CB GLU C 44 7.186 11.321 2.127 1.00 0.00 C ATOM 1324 CG GLU C 44 6.938 12.555 2.978 1.00 0.00 C ATOM 1325 CD GLU C 44 7.079 13.856 2.214 1.00 0.00 C ATOM 1326 OE1 GLU C 44 8.228 14.260 1.930 1.00 0.00 O ATOM 1327 OE2 GLU C 44 6.049 14.492 1.907 1.00 0.00 O ATOM 0 H GLU C 44 6.651 9.026 1.526 1.00 0.00 H new ATOM 0 HA GLU C 44 5.118 11.362 1.533 1.00 0.00 H new ATOM 0 HB2 GLU C 44 7.331 10.465 2.786 1.00 0.00 H new ATOM 0 HB3 GLU C 44 8.115 11.458 1.573 1.00 0.00 H new ATOM 0 HG2 GLU C 44 5.935 12.499 3.402 1.00 0.00 H new ATOM 0 HG3 GLU C 44 7.637 12.556 3.814 1.00 0.00 H new ATOM 1334 N HIS C 45 7.231 11.132 -0.993 1.00 0.00 N ATOM 1335 CA HIS C 45 7.623 11.704 -2.260 1.00 0.00 C ATOM 1336 C HIS C 45 6.527 11.602 -3.323 1.00 0.00 C ATOM 1337 O HIS C 45 6.344 12.530 -4.107 1.00 0.00 O ATOM 1338 CB HIS C 45 8.886 11.004 -2.746 1.00 0.00 C ATOM 1339 CG HIS C 45 10.152 11.542 -2.147 1.00 0.00 C ATOM 1340 ND1 HIS C 45 11.405 11.264 -2.654 1.00 0.00 N ATOM 1341 CD2 HIS C 45 10.356 12.339 -1.071 1.00 0.00 C ATOM 1342 CE1 HIS C 45 12.320 11.863 -1.917 1.00 0.00 C ATOM 1343 NE2 HIS C 45 11.709 12.520 -0.953 1.00 0.00 N ATOM 0 H HIS C 45 7.723 10.270 -0.758 1.00 0.00 H new ATOM 0 HA HIS C 45 7.806 12.767 -2.103 1.00 0.00 H new ATOM 0 HB2 HIS C 45 8.811 9.941 -2.517 1.00 0.00 H new ATOM 0 HB3 HIS C 45 8.943 11.093 -3.831 1.00 0.00 H new ATOM 0 HD2 HIS C 45 9.595 12.754 -0.427 1.00 0.00 H new ATOM 0 HE1 HIS C 45 13.387 11.822 -2.077 1.00 0.00 H new ATOM 0 HE2 HIS C 45 12.170 13.076 -0.233 1.00 0.00 H new ATOM 1352 N ILE C 46 5.808 10.482 -3.361 1.00 0.00 N ATOM 1353 CA ILE C 46 4.834 10.237 -4.414 1.00 0.00 C ATOM 1354 C ILE C 46 3.485 10.900 -4.131 1.00 0.00 C ATOM 1355 O ILE C 46 2.610 10.885 -4.996 1.00 0.00 O ATOM 1356 CB ILE C 46 4.599 8.735 -4.612 1.00 0.00 C ATOM 1357 CG1 ILE C 46 3.803 8.158 -3.446 1.00 0.00 C ATOM 1358 CG2 ILE C 46 5.924 8.004 -4.772 1.00 0.00 C ATOM 1359 CD1 ILE C 46 3.424 6.709 -3.633 1.00 0.00 C ATOM 0 H ILE C 46 5.884 9.732 -2.674 1.00 0.00 H new ATOM 0 HA ILE C 46 5.258 10.675 -5.318 1.00 0.00 H new ATOM 0 HB ILE C 46 4.018 8.595 -5.524 1.00 0.00 H new ATOM 0 HG12 ILE C 46 4.389 8.257 -2.532 1.00 0.00 H new ATOM 0 HG13 ILE C 46 2.896 8.747 -3.308 1.00 0.00 H new ATOM 0 HG21 ILE C 46 5.738 6.939 -4.911 1.00 0.00 H new ATOM 0 HG22 ILE C 46 6.454 8.396 -5.640 1.00 0.00 H new ATOM 0 HG23 ILE C 46 6.531 8.152 -3.879 1.00 0.00 H new ATOM 0 HD11 ILE C 46 2.860 6.366 -2.766 1.00 0.00 H new ATOM 0 HD12 ILE C 46 2.811 6.606 -4.528 1.00 0.00 H new ATOM 0 HD13 ILE C 46 4.327 6.108 -3.740 1.00 0.00 H new ATOM 1371 N ALA C 47 3.335 11.478 -2.934 1.00 0.00 N ATOM 1372 CA ALA C 47 2.097 12.121 -2.506 1.00 0.00 C ATOM 1373 C ALA C 47 1.382 12.893 -3.616 1.00 0.00 C ATOM 1374 O ALA C 47 0.235 12.590 -3.929 1.00 0.00 O ATOM 1375 CB ALA C 47 2.398 13.060 -1.348 1.00 0.00 C ATOM 0 H ALA C 47 4.076 11.511 -2.234 1.00 0.00 H new ATOM 0 HA ALA C 47 1.419 11.323 -2.204 1.00 0.00 H new ATOM 0 HB1 ALA C 47 1.477 13.544 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA C 47 2.821 12.492 -0.520 1.00 0.00 H new ATOM 0 HB3 ALA C 47 3.112 13.818 -1.670 1.00 0.00 H new ATOM 1381 N ALA C 48 2.043 13.856 -4.234 1.00 0.00 N ATOM 1382 CA ALA C 48 1.369 14.700 -5.215 1.00 0.00 C ATOM 1383 C ALA C 48 1.075 13.952 -6.507 1.00 0.00 C ATOM 1384 O ALA C 48 0.035 14.166 -7.129 1.00 0.00 O ATOM 1385 CB ALA C 48 2.183 15.933 -5.518 1.00 0.00 C ATOM 0 H ALA C 48 3.028 14.074 -4.081 1.00 0.00 H new ATOM 0 HA ALA C 48 0.419 14.997 -4.771 1.00 0.00 H new ATOM 0 HB1 ALA C 48 1.658 16.544 -6.252 1.00 0.00 H new ATOM 0 HB2 ALA C 48 2.327 16.508 -4.603 1.00 0.00 H new ATOM 0 HB3 ALA C 48 3.153 15.639 -5.918 1.00 0.00 H new ATOM 1391 N SER C 49 1.981 13.067 -6.903 1.00 0.00 N ATOM 1392 CA SER C 49 1.847 12.337 -8.142 1.00 0.00 C ATOM 1393 C SER C 49 0.634 11.408 -8.115 1.00 0.00 C ATOM 1394 O SER C 49 0.142 10.981 -9.160 1.00 0.00 O ATOM 1395 CB SER C 49 3.117 11.542 -8.385 1.00 0.00 C ATOM 1396 OG SER C 49 3.988 11.618 -7.268 1.00 0.00 O ATOM 0 H SER C 49 2.822 12.841 -6.373 1.00 0.00 H new ATOM 0 HA SER C 49 1.693 13.048 -8.954 1.00 0.00 H new ATOM 0 HB2 SER C 49 2.865 10.500 -8.584 1.00 0.00 H new ATOM 0 HB3 SER C 49 3.624 11.922 -9.272 1.00 0.00 H new ATOM 0 HG SER C 49 3.556 11.211 -6.488 1.00 0.00 H new ATOM 1402 N VAL C 50 0.170 11.085 -6.915 1.00 0.00 N ATOM 1403 CA VAL C 50 -1.024 10.268 -6.750 1.00 0.00 C ATOM 1404 C VAL C 50 -2.172 11.074 -6.160 1.00 0.00 C ATOM 1405 O VAL C 50 -3.294 10.573 -6.059 1.00 0.00 O ATOM 1406 CB VAL C 50 -0.754 9.031 -5.869 1.00 0.00 C ATOM 1407 CG1 VAL C 50 0.116 8.040 -6.616 1.00 0.00 C ATOM 1408 CG2 VAL C 50 -0.095 9.432 -4.557 1.00 0.00 C ATOM 0 H VAL C 50 0.604 11.377 -6.040 1.00 0.00 H new ATOM 0 HA VAL C 50 -1.307 9.928 -7.746 1.00 0.00 H new ATOM 0 HB VAL C 50 -1.709 8.559 -5.637 1.00 0.00 H new ATOM 0 HG11 VAL C 50 0.301 7.170 -5.985 1.00 0.00 H new ATOM 0 HG12 VAL C 50 -0.391 7.726 -7.528 1.00 0.00 H new ATOM 0 HG13 VAL C 50 1.065 8.510 -6.873 1.00 0.00 H new ATOM 0 HG21 VAL C 50 0.085 8.542 -3.953 1.00 0.00 H new ATOM 0 HG22 VAL C 50 0.853 9.929 -4.763 1.00 0.00 H new ATOM 0 HG23 VAL C 50 -0.751 10.112 -4.014 1.00 0.00 H new ATOM 1418 N SER C 51 -1.878 12.320 -5.773 1.00 0.00 N ATOM 1419 CA SER C 51 -2.863 13.210 -5.172 1.00 0.00 C ATOM 1420 C SER C 51 -3.207 12.717 -3.780 1.00 0.00 C ATOM 1421 O SER C 51 -4.252 13.051 -3.221 1.00 0.00 O ATOM 1422 CB SER C 51 -4.120 13.319 -6.037 1.00 0.00 C ATOM 1423 OG SER C 51 -3.799 13.750 -7.351 1.00 0.00 O ATOM 0 H SER C 51 -0.951 12.734 -5.870 1.00 0.00 H new ATOM 0 HA SER C 51 -2.432 14.209 -5.103 1.00 0.00 H new ATOM 0 HB2 SER C 51 -4.621 12.352 -6.080 1.00 0.00 H new ATOM 0 HB3 SER C 51 -4.819 14.020 -5.581 1.00 0.00 H new ATOM 0 HG SER C 51 -4.619 13.810 -7.885 1.00 0.00 H new ATOM 1429 N ILE C 52 -2.307 11.923 -3.222 1.00 0.00 N ATOM 1430 CA ILE C 52 -2.500 11.373 -1.901 1.00 0.00 C ATOM 1431 C ILE C 52 -1.314 11.686 -0.997 1.00 0.00 C ATOM 1432 O ILE C 52 -0.227 11.148 -1.193 1.00 0.00 O ATOM 1433 CB ILE C 52 -2.674 9.845 -1.909 1.00 0.00 C ATOM 1434 CG1 ILE C 52 -3.750 9.396 -2.900 1.00 0.00 C ATOM 1435 CG2 ILE C 52 -3.046 9.405 -0.506 1.00 0.00 C ATOM 1436 CD1 ILE C 52 -5.142 9.449 -2.326 1.00 0.00 C ATOM 0 H ILE C 52 -1.433 11.647 -3.671 1.00 0.00 H new ATOM 0 HA ILE C 52 -3.412 11.838 -1.528 1.00 0.00 H new ATOM 0 HB ILE C 52 -1.738 9.385 -2.226 1.00 0.00 H new ATOM 0 HG12 ILE C 52 -3.705 10.028 -3.787 1.00 0.00 H new ATOM 0 HG13 ILE C 52 -3.535 8.377 -3.223 1.00 0.00 H new ATOM 0 HG21 ILE C 52 -3.175 8.323 -0.486 1.00 0.00 H new ATOM 0 HG22 ILE C 52 -2.253 9.689 0.186 1.00 0.00 H new ATOM 0 HG23 ILE C 52 -3.977 9.887 -0.208 1.00 0.00 H new ATOM 0 HD11 ILE C 52 -5.858 9.119 -3.078 1.00 0.00 H new ATOM 0 HD12 ILE C 52 -5.202 8.795 -1.456 1.00 0.00 H new ATOM 0 HD13 ILE C 52 -5.374 10.472 -2.028 1.00 0.00 H new ATOM 1448 N PRO C 53 -1.515 12.512 0.033 1.00 0.00 N ATOM 1449 CA PRO C 53 -0.460 12.858 0.974 1.00 0.00 C ATOM 1450 C PRO C 53 -0.120 11.682 1.852 1.00 0.00 C ATOM 1451 O PRO C 53 -0.997 10.917 2.226 1.00 0.00 O ATOM 1452 CB PRO C 53 -1.052 13.955 1.833 1.00 0.00 C ATOM 1453 CG PRO C 53 -2.408 14.263 1.283 1.00 0.00 C ATOM 1454 CD PRO C 53 -2.796 13.119 0.391 1.00 0.00 C ATOM 0 HA PRO C 53 0.452 13.159 0.458 1.00 0.00 H new ATOM 0 HB2 PRO C 53 -1.122 13.634 2.872 1.00 0.00 H new ATOM 0 HB3 PRO C 53 -0.419 14.842 1.815 1.00 0.00 H new ATOM 0 HG2 PRO C 53 -3.132 14.385 2.089 1.00 0.00 H new ATOM 0 HG3 PRO C 53 -2.393 15.199 0.724 1.00 0.00 H new ATOM 0 HD2 PRO C 53 -3.445 12.411 0.906 1.00 0.00 H new ATOM 0 HD3 PRO C 53 -3.337 13.464 -0.491 1.00 0.00 H new ATOM 1462 N SER C 54 1.154 11.571 2.205 1.00 0.00 N ATOM 1463 CA SER C 54 1.667 10.442 2.942 1.00 0.00 C ATOM 1464 C SER C 54 0.908 10.195 4.241 1.00 0.00 C ATOM 1465 O SER C 54 0.892 9.071 4.737 1.00 0.00 O ATOM 1466 CB SER C 54 3.142 10.668 3.217 1.00 0.00 C ATOM 1467 OG SER C 54 3.408 12.036 3.448 1.00 0.00 O ATOM 0 H SER C 54 1.860 12.273 1.982 1.00 0.00 H new ATOM 0 HA SER C 54 1.529 9.547 2.335 1.00 0.00 H new ATOM 0 HB2 SER C 54 3.448 10.082 4.084 1.00 0.00 H new ATOM 0 HB3 SER C 54 3.732 10.317 2.370 1.00 0.00 H new ATOM 0 HG SER C 54 3.929 12.133 4.272 1.00 0.00 H new ATOM 1473 N GLU C 55 0.279 11.232 4.790 1.00 0.00 N ATOM 1474 CA GLU C 55 -0.463 11.069 6.031 1.00 0.00 C ATOM 1475 C GLU C 55 -1.788 10.344 5.785 1.00 0.00 C ATOM 1476 O GLU C 55 -2.244 9.567 6.622 1.00 0.00 O ATOM 1477 CB GLU C 55 -0.707 12.413 6.710 1.00 0.00 C ATOM 1478 CG GLU C 55 -1.543 13.343 5.901 1.00 0.00 C ATOM 1479 CD GLU C 55 -1.855 14.629 6.629 1.00 0.00 C ATOM 1480 OE1 GLU C 55 -2.806 14.641 7.437 1.00 0.00 O ATOM 1481 OE2 GLU C 55 -1.138 15.627 6.418 1.00 0.00 O ATOM 0 H GLU C 55 0.269 12.175 4.402 1.00 0.00 H new ATOM 0 HA GLU C 55 0.144 10.458 6.700 1.00 0.00 H new ATOM 0 HB2 GLU C 55 -1.192 12.243 7.671 1.00 0.00 H new ATOM 0 HB3 GLU C 55 0.253 12.886 6.917 1.00 0.00 H new ATOM 0 HG2 GLU C 55 -1.025 13.574 4.970 1.00 0.00 H new ATOM 0 HG3 GLU C 55 -2.476 12.847 5.633 1.00 0.00 H new ATOM 1488 N LYS C 56 -2.388 10.584 4.623 1.00 0.00 N ATOM 1489 CA LYS C 56 -3.649 9.943 4.262 1.00 0.00 C ATOM 1490 C LYS C 56 -3.371 8.741 3.369 1.00 0.00 C ATOM 1491 O LYS C 56 -4.251 7.922 3.105 1.00 0.00 O ATOM 1492 CB LYS C 56 -4.567 10.926 3.520 1.00 0.00 C ATOM 1493 CG LYS C 56 -4.658 12.304 4.163 1.00 0.00 C ATOM 1494 CD LYS C 56 -5.635 13.213 3.425 1.00 0.00 C ATOM 1495 CE LYS C 56 -7.079 12.793 3.656 1.00 0.00 C ATOM 1496 NZ LYS C 56 -8.042 13.621 2.881 1.00 0.00 N ATOM 0 H LYS C 56 -2.021 11.219 3.914 1.00 0.00 H new ATOM 0 HA LYS C 56 -4.148 9.621 5.176 1.00 0.00 H new ATOM 0 HB2 LYS C 56 -4.209 11.038 2.497 1.00 0.00 H new ATOM 0 HB3 LYS C 56 -5.568 10.498 3.462 1.00 0.00 H new ATOM 0 HG2 LYS C 56 -4.973 12.200 5.201 1.00 0.00 H new ATOM 0 HG3 LYS C 56 -3.671 12.765 4.174 1.00 0.00 H new ATOM 0 HD2 LYS C 56 -5.498 14.242 3.758 1.00 0.00 H new ATOM 0 HD3 LYS C 56 -5.416 13.192 2.357 1.00 0.00 H new ATOM 0 HE2 LYS C 56 -7.199 11.746 3.378 1.00 0.00 H new ATOM 0 HE3 LYS C 56 -7.311 12.869 4.718 1.00 0.00 H new ATOM 0 HZ1 LYS C 56 -9.011 13.296 3.072 1.00 0.00 H new ATOM 0 HZ2 LYS C 56 -7.949 14.618 3.163 1.00 0.00 H new ATOM 0 HZ3 LYS C 56 -7.840 13.529 1.865 1.00 0.00 H new ATOM 1510 N GLN C 57 -2.128 8.654 2.920 1.00 0.00 N ATOM 1511 CA GLN C 57 -1.702 7.655 1.954 1.00 0.00 C ATOM 1512 C GLN C 57 -1.384 6.333 2.637 1.00 0.00 C ATOM 1513 O GLN C 57 -0.497 6.263 3.489 1.00 0.00 O ATOM 1514 CB GLN C 57 -0.444 8.142 1.225 1.00 0.00 C ATOM 1515 CG GLN C 57 0.007 7.215 0.118 1.00 0.00 C ATOM 1516 CD GLN C 57 1.348 7.589 -0.483 1.00 0.00 C ATOM 1517 OE1 GLN C 57 2.116 6.711 -0.859 1.00 0.00 O ATOM 1518 NE2 GLN C 57 1.627 8.879 -0.629 1.00 0.00 N ATOM 0 H GLN C 57 -1.381 9.281 3.219 1.00 0.00 H new ATOM 0 HA GLN C 57 -2.518 7.504 1.247 1.00 0.00 H new ATOM 0 HB2 GLN C 57 -0.636 9.130 0.806 1.00 0.00 H new ATOM 0 HB3 GLN C 57 0.365 8.254 1.947 1.00 0.00 H new ATOM 0 HG2 GLN C 57 0.065 6.199 0.508 1.00 0.00 H new ATOM 0 HG3 GLN C 57 -0.746 7.212 -0.670 1.00 0.00 H new ATOM 0 HE21 GLN C 57 0.965 9.584 -0.305 1.00 0.00 H new ATOM 0 HE22 GLN C 57 2.503 9.165 -1.066 1.00 0.00 H new ATOM 1527 N ARG C 58 -2.100 5.292 2.262 1.00 0.00 N ATOM 1528 CA ARG C 58 -1.768 3.950 2.717 1.00 0.00 C ATOM 1529 C ARG C 58 -1.652 3.018 1.523 1.00 0.00 C ATOM 1530 O ARG C 58 -2.559 2.949 0.692 1.00 0.00 O ATOM 1531 CB ARG C 58 -2.801 3.417 3.717 1.00 0.00 C ATOM 1532 CG ARG C 58 -2.901 4.249 4.985 1.00 0.00 C ATOM 1533 CD ARG C 58 -3.599 3.496 6.107 1.00 0.00 C ATOM 1534 NE ARG C 58 -4.958 3.083 5.754 1.00 0.00 N ATOM 1535 CZ ARG C 58 -6.038 3.369 6.482 1.00 0.00 C ATOM 1536 NH1 ARG C 58 -5.931 4.089 7.594 1.00 0.00 N ATOM 1537 NH2 ARG C 58 -7.223 2.921 6.105 1.00 0.00 N ATOM 0 H ARG C 58 -2.912 5.345 1.647 1.00 0.00 H new ATOM 0 HA ARG C 58 -0.810 3.995 3.235 1.00 0.00 H new ATOM 0 HB2 ARG C 58 -3.778 3.384 3.235 1.00 0.00 H new ATOM 0 HB3 ARG C 58 -2.542 2.392 3.983 1.00 0.00 H new ATOM 0 HG2 ARG C 58 -1.901 4.537 5.309 1.00 0.00 H new ATOM 0 HG3 ARG C 58 -3.445 5.169 4.773 1.00 0.00 H new ATOM 0 HD2 ARG C 58 -3.012 2.615 6.367 1.00 0.00 H new ATOM 0 HD3 ARG C 58 -3.635 4.128 6.995 1.00 0.00 H new ATOM 0 HE ARG C 58 -5.087 2.543 4.898 1.00 0.00 H new ATOM 0 HH11 ARG C 58 -5.018 4.427 7.897 1.00 0.00 H new ATOM 0 HH12 ARG C 58 -6.762 4.303 8.145 1.00 0.00 H new ATOM 0 HH21 ARG C 58 -7.310 2.358 5.259 1.00 0.00 H new ATOM 0 HH22 ARG C 58 -8.051 3.138 6.660 1.00 0.00 H new ATOM 1551 N LEU C 59 -0.526 2.321 1.432 1.00 0.00 N ATOM 1552 CA LEU C 59 -0.266 1.429 0.309 1.00 0.00 C ATOM 1553 C LEU C 59 -0.890 0.064 0.559 1.00 0.00 C ATOM 1554 O LEU C 59 -0.420 -0.673 1.406 1.00 0.00 O ATOM 1555 CB LEU C 59 1.246 1.251 0.125 1.00 0.00 C ATOM 1556 CG LEU C 59 2.053 2.512 -0.117 1.00 0.00 C ATOM 1557 CD1 LEU C 59 3.525 2.259 0.169 1.00 0.00 C ATOM 1558 CD2 LEU C 59 1.869 2.935 -1.542 1.00 0.00 C ATOM 0 H LEU C 59 0.223 2.356 2.124 1.00 0.00 H new ATOM 0 HA LEU C 59 -0.703 1.870 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU C 59 1.642 0.758 1.013 1.00 0.00 H new ATOM 0 HB3 LEU C 59 1.410 0.575 -0.714 1.00 0.00 H new ATOM 0 HG LEU C 59 1.707 3.302 0.550 1.00 0.00 H new ATOM 0 HD11 LEU C 59 4.092 3.172 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU C 59 3.646 1.953 1.208 1.00 0.00 H new ATOM 0 HD13 LEU C 59 3.893 1.470 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU C 59 2.444 3.841 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU C 59 2.215 2.142 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU C 59 0.813 3.130 -1.730 1.00 0.00 H new ATOM 1570 N ILE C 60 -1.957 -0.281 -0.137 1.00 0.00 N ATOM 1571 CA ILE C 60 -2.487 -1.622 -0.015 1.00 0.00 C ATOM 1572 C ILE C 60 -2.050 -2.495 -1.170 1.00 0.00 C ATOM 1573 O ILE C 60 -2.376 -2.225 -2.329 1.00 0.00 O ATOM 1574 CB ILE C 60 -4.009 -1.649 0.020 1.00 0.00 C ATOM 1575 CG1 ILE C 60 -4.549 -0.560 0.918 1.00 0.00 C ATOM 1576 CG2 ILE C 60 -4.485 -3.009 0.500 1.00 0.00 C ATOM 1577 CD1 ILE C 60 -6.030 -0.398 0.764 1.00 0.00 C ATOM 0 H ILE C 60 -2.462 0.332 -0.777 1.00 0.00 H new ATOM 0 HA ILE C 60 -2.093 -2.001 0.928 1.00 0.00 H new ATOM 0 HB ILE C 60 -4.383 -1.470 -0.988 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.315 -0.795 1.956 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -4.054 0.383 0.685 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.575 -3.025 0.524 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -4.125 -3.781 -0.180 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -4.097 -3.198 1.501 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.380 0.394 1.426 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -6.262 -0.137 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.527 -1.333 1.022 1.00 0.00 H new ATOM 1589 N TYR C 61 -1.324 -3.543 -0.857 1.00 0.00 N ATOM 1590 CA TYR C 61 -1.004 -4.550 -1.839 1.00 0.00 C ATOM 1591 C TYR C 61 -1.279 -5.928 -1.249 1.00 0.00 C ATOM 1592 O TYR C 61 -0.808 -6.249 -0.159 1.00 0.00 O ATOM 1593 CB TYR C 61 0.441 -4.417 -2.329 1.00 0.00 C ATOM 1594 CG TYR C 61 0.748 -5.388 -3.432 1.00 0.00 C ATOM 1595 CD1 TYR C 61 0.041 -5.327 -4.619 1.00 0.00 C ATOM 1596 CD2 TYR C 61 1.713 -6.374 -3.286 1.00 0.00 C ATOM 1597 CE1 TYR C 61 0.277 -6.219 -5.633 1.00 0.00 C ATOM 1598 CE2 TYR C 61 1.964 -7.273 -4.303 1.00 0.00 C ATOM 1599 CZ TYR C 61 1.241 -7.193 -5.476 1.00 0.00 C ATOM 1600 OH TYR C 61 1.473 -8.093 -6.486 1.00 0.00 O ATOM 0 H TYR C 61 -0.943 -3.720 0.073 1.00 0.00 H new ATOM 0 HA TYR C 61 -1.638 -4.410 -2.715 1.00 0.00 H new ATOM 0 HB2 TYR C 61 0.613 -3.400 -2.682 1.00 0.00 H new ATOM 0 HB3 TYR C 61 1.124 -4.585 -1.496 1.00 0.00 H new ATOM 0 HD1 TYR C 61 -0.711 -4.563 -4.750 1.00 0.00 H new ATOM 0 HD2 TYR C 61 2.275 -6.439 -2.366 1.00 0.00 H new ATOM 0 HE1 TYR C 61 -0.289 -6.159 -6.551 1.00 0.00 H new ATOM 0 HE2 TYR C 61 2.721 -8.034 -4.182 1.00 0.00 H new ATOM 0 HH TYR C 61 2.184 -8.711 -6.216 1.00 0.00 H new ATOM 1610 N GLN C 62 -2.085 -6.716 -1.963 1.00 0.00 N ATOM 1611 CA GLN C 62 -2.544 -8.025 -1.477 1.00 0.00 C ATOM 1612 C GLN C 62 -3.300 -7.890 -0.148 1.00 0.00 C ATOM 1613 O GLN C 62 -3.182 -8.735 0.739 1.00 0.00 O ATOM 1614 CB GLN C 62 -1.376 -9.003 -1.329 1.00 0.00 C ATOM 1615 CG GLN C 62 -0.638 -9.267 -2.631 1.00 0.00 C ATOM 1616 CD GLN C 62 0.183 -10.527 -2.588 1.00 0.00 C ATOM 1617 OE1 GLN C 62 -0.291 -11.603 -2.952 1.00 0.00 O ATOM 1618 NE2 GLN C 62 1.414 -10.414 -2.144 1.00 0.00 N ATOM 0 H GLN C 62 -2.438 -6.470 -2.888 1.00 0.00 H new ATOM 0 HA GLN C 62 -3.231 -8.425 -2.222 1.00 0.00 H new ATOM 0 HB2 GLN C 62 -0.673 -8.609 -0.596 1.00 0.00 H new ATOM 0 HB3 GLN C 62 -1.751 -9.948 -0.935 1.00 0.00 H new ATOM 0 HG2 GLN C 62 -1.359 -9.336 -3.445 1.00 0.00 H new ATOM 0 HG3 GLN C 62 0.013 -8.421 -2.853 1.00 0.00 H new ATOM 0 HE21 GLN C 62 1.769 -9.504 -1.852 1.00 0.00 H new ATOM 0 HE22 GLN C 62 2.015 -11.237 -2.091 1.00 0.00 H new ATOM 1627 N GLY C 63 -4.059 -6.803 -0.014 1.00 0.00 N ATOM 1628 CA GLY C 63 -4.905 -6.605 1.158 1.00 0.00 C ATOM 1629 C GLY C 63 -4.136 -6.170 2.393 1.00 0.00 C ATOM 1630 O GLY C 63 -4.721 -5.986 3.461 1.00 0.00 O ATOM 0 H GLY C 63 -4.104 -6.050 -0.700 1.00 0.00 H new ATOM 0 HA2 GLY C 63 -5.662 -5.855 0.928 1.00 0.00 H new ATOM 0 HA3 GLY C 63 -5.433 -7.533 1.376 1.00 0.00 H new ATOM 1634 N ARG C 64 -2.831 -6.011 2.250 1.00 0.00 N ATOM 1635 CA ARG C 64 -1.983 -5.621 3.367 1.00 0.00 C ATOM 1636 C ARG C 64 -1.719 -4.127 3.324 1.00 0.00 C ATOM 1637 O ARG C 64 -1.532 -3.557 2.247 1.00 0.00 O ATOM 1638 CB ARG C 64 -0.659 -6.380 3.324 1.00 0.00 C ATOM 1639 CG ARG C 64 -0.824 -7.885 3.280 1.00 0.00 C ATOM 1640 CD ARG C 64 -1.524 -8.389 4.526 1.00 0.00 C ATOM 1641 NE ARG C 64 -0.675 -8.303 5.710 1.00 0.00 N ATOM 1642 CZ ARG C 64 -0.883 -9.005 6.822 1.00 0.00 C ATOM 1643 NH1 ARG C 64 -1.924 -9.823 6.908 1.00 0.00 N ATOM 1644 NH2 ARG C 64 -0.051 -8.889 7.847 1.00 0.00 N ATOM 0 H ARG C 64 -2.334 -6.146 1.370 1.00 0.00 H new ATOM 0 HA ARG C 64 -2.499 -5.868 4.295 1.00 0.00 H new ATOM 0 HB2 ARG C 64 -0.094 -6.059 2.449 1.00 0.00 H new ATOM 0 HB3 ARG C 64 -0.068 -6.113 4.200 1.00 0.00 H new ATOM 0 HG2 ARG C 64 -1.398 -8.166 2.397 1.00 0.00 H new ATOM 0 HG3 ARG C 64 0.153 -8.360 3.190 1.00 0.00 H new ATOM 0 HD2 ARG C 64 -2.432 -7.809 4.690 1.00 0.00 H new ATOM 0 HD3 ARG C 64 -1.830 -9.424 4.375 1.00 0.00 H new ATOM 0 HE ARG C 64 0.123 -7.669 5.684 1.00 0.00 H new ATOM 0 HH11 ARG C 64 -2.567 -9.915 6.121 1.00 0.00 H new ATOM 0 HH12 ARG C 64 -2.082 -10.360 7.761 1.00 0.00 H new ATOM 0 HH21 ARG C 64 0.750 -8.261 7.785 1.00 0.00 H new ATOM 0 HH22 ARG C 64 -0.212 -9.428 8.698 1.00 0.00 H new ATOM 1658 N VAL C 65 -1.699 -3.495 4.488 1.00 0.00 N ATOM 1659 CA VAL C 65 -1.521 -2.063 4.562 1.00 0.00 C ATOM 1660 C VAL C 65 -0.037 -1.717 4.731 1.00 0.00 C ATOM 1661 O VAL C 65 0.493 -1.724 5.845 1.00 0.00 O ATOM 1662 CB VAL C 65 -2.328 -1.458 5.725 1.00 0.00 C ATOM 1663 CG1 VAL C 65 -2.864 -0.085 5.345 1.00 0.00 C ATOM 1664 CG2 VAL C 65 -3.466 -2.380 6.126 1.00 0.00 C ATOM 0 H VAL C 65 -1.804 -3.957 5.391 1.00 0.00 H new ATOM 0 HA VAL C 65 -1.888 -1.636 3.629 1.00 0.00 H new ATOM 0 HB VAL C 65 -1.662 -1.345 6.580 1.00 0.00 H new ATOM 0 HG11 VAL C 65 -3.432 0.327 6.179 1.00 0.00 H new ATOM 0 HG12 VAL C 65 -2.032 0.578 5.109 1.00 0.00 H new ATOM 0 HG13 VAL C 65 -3.513 -0.176 4.474 1.00 0.00 H new ATOM 0 HG21 VAL C 65 -4.023 -1.933 6.949 1.00 0.00 H new ATOM 0 HG22 VAL C 65 -4.131 -2.528 5.275 1.00 0.00 H new ATOM 0 HG23 VAL C 65 -3.061 -3.342 6.441 1.00 0.00 H new ATOM 1674 N LEU C 66 0.626 -1.436 3.619 1.00 0.00 N ATOM 1675 CA LEU C 66 2.041 -1.086 3.617 1.00 0.00 C ATOM 1676 C LEU C 66 2.189 0.396 3.937 1.00 0.00 C ATOM 1677 O LEU C 66 1.416 1.223 3.447 1.00 0.00 O ATOM 1678 CB LEU C 66 2.683 -1.371 2.250 1.00 0.00 C ATOM 1679 CG LEU C 66 1.917 -2.319 1.320 1.00 0.00 C ATOM 1680 CD1 LEU C 66 2.550 -2.307 -0.059 1.00 0.00 C ATOM 1681 CD2 LEU C 66 1.872 -3.738 1.877 1.00 0.00 C ATOM 0 H LEU C 66 0.200 -1.444 2.692 1.00 0.00 H new ATOM 0 HA LEU C 66 2.546 -1.693 4.369 1.00 0.00 H new ATOM 0 HB2 LEU C 66 2.820 -0.422 1.732 1.00 0.00 H new ATOM 0 HB3 LEU C 66 3.676 -1.787 2.419 1.00 0.00 H new ATOM 0 HG LEU C 66 0.888 -1.966 1.247 1.00 0.00 H new ATOM 0 HD11 LEU C 66 2.002 -2.982 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU C 66 2.516 -1.297 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU C 66 3.587 -2.634 0.014 1.00 0.00 H new ATOM 0 HD21 LEU C 66 1.321 -4.381 1.191 1.00 0.00 H new ATOM 0 HD22 LEU C 66 2.888 -4.116 1.992 1.00 0.00 H new ATOM 0 HD23 LEU C 66 1.375 -3.733 2.847 1.00 0.00 H new ATOM 1693 N GLN C 67 3.172 0.739 4.752 1.00 0.00 N ATOM 1694 CA GLN C 67 3.348 2.120 5.164 1.00 0.00 C ATOM 1695 C GLN C 67 4.828 2.457 5.377 1.00 0.00 C ATOM 1696 O GLN C 67 5.705 1.619 5.164 1.00 0.00 O ATOM 1697 CB GLN C 67 2.555 2.372 6.448 1.00 0.00 C ATOM 1698 CG GLN C 67 2.919 1.427 7.583 1.00 0.00 C ATOM 1699 CD GLN C 67 1.942 1.503 8.736 1.00 0.00 C ATOM 1700 OE1 GLN C 67 2.111 2.298 9.660 1.00 0.00 O ATOM 1701 NE2 GLN C 67 0.914 0.671 8.690 1.00 0.00 N ATOM 0 H GLN C 67 3.854 0.087 5.138 1.00 0.00 H new ATOM 0 HA GLN C 67 2.975 2.768 4.370 1.00 0.00 H new ATOM 0 HB2 GLN C 67 2.723 3.399 6.773 1.00 0.00 H new ATOM 0 HB3 GLN C 67 1.491 2.275 6.233 1.00 0.00 H new ATOM 0 HG2 GLN C 67 2.951 0.405 7.205 1.00 0.00 H new ATOM 0 HG3 GLN C 67 3.920 1.665 7.943 1.00 0.00 H new ATOM 0 HE21 GLN C 67 0.813 0.028 7.904 1.00 0.00 H new ATOM 0 HE22 GLN C 67 0.223 0.672 9.440 1.00 0.00 H new ATOM 1710 N ASP C 68 5.068 3.682 5.835 1.00 0.00 N ATOM 1711 CA ASP C 68 6.400 4.250 6.025 1.00 0.00 C ATOM 1712 C ASP C 68 7.175 3.604 7.170 1.00 0.00 C ATOM 1713 O ASP C 68 8.324 3.951 7.414 1.00 0.00 O ATOM 1714 CB ASP C 68 6.284 5.755 6.299 1.00 0.00 C ATOM 1715 CG ASP C 68 5.211 6.082 7.323 1.00 0.00 C ATOM 1716 OD1 ASP C 68 4.017 6.092 6.950 1.00 0.00 O ATOM 1717 OD2 ASP C 68 5.551 6.341 8.497 1.00 0.00 O ATOM 0 H ASP C 68 4.320 4.326 6.092 1.00 0.00 H new ATOM 0 HA ASP C 68 6.952 4.056 5.106 1.00 0.00 H new ATOM 0 HB2 ASP C 68 7.244 6.131 6.652 1.00 0.00 H new ATOM 0 HB3 ASP C 68 6.061 6.274 5.367 1.00 0.00 H new ATOM 1722 N ASP C 69 6.556 2.690 7.885 1.00 0.00 N ATOM 1723 CA ASP C 69 7.181 2.127 9.074 1.00 0.00 C ATOM 1724 C ASP C 69 8.281 1.116 8.738 1.00 0.00 C ATOM 1725 O ASP C 69 9.151 0.846 9.564 1.00 0.00 O ATOM 1726 CB ASP C 69 6.128 1.473 9.964 1.00 0.00 C ATOM 1727 CG ASP C 69 6.713 0.922 11.249 1.00 0.00 C ATOM 1728 OD1 ASP C 69 7.248 1.713 12.053 1.00 0.00 O ATOM 1729 OD2 ASP C 69 6.640 -0.305 11.464 1.00 0.00 O ATOM 0 H ASP C 69 5.630 2.320 7.671 1.00 0.00 H new ATOM 0 HA ASP C 69 7.653 2.953 9.606 1.00 0.00 H new ATOM 0 HB2 ASP C 69 5.356 2.204 10.205 1.00 0.00 H new ATOM 0 HB3 ASP C 69 5.643 0.666 9.414 1.00 0.00 H new ATOM 1734 N LYS C 70 8.268 0.576 7.525 1.00 0.00 N ATOM 1735 CA LYS C 70 9.147 -0.548 7.200 1.00 0.00 C ATOM 1736 C LYS C 70 9.922 -0.322 5.900 1.00 0.00 C ATOM 1737 O LYS C 70 10.292 0.806 5.581 1.00 0.00 O ATOM 1738 CB LYS C 70 8.324 -1.837 7.133 1.00 0.00 C ATOM 1739 CG LYS C 70 7.411 -2.004 8.335 1.00 0.00 C ATOM 1740 CD LYS C 70 6.955 -3.442 8.524 1.00 0.00 C ATOM 1741 CE LYS C 70 6.013 -3.882 7.419 1.00 0.00 C ATOM 1742 NZ LYS C 70 5.503 -5.259 7.643 1.00 0.00 N ATOM 0 H LYS C 70 7.671 0.889 6.760 1.00 0.00 H new ATOM 0 HA LYS C 70 9.892 -0.635 7.991 1.00 0.00 H new ATOM 0 HB2 LYS C 70 7.725 -1.835 6.222 1.00 0.00 H new ATOM 0 HB3 LYS C 70 8.997 -2.692 7.070 1.00 0.00 H new ATOM 0 HG2 LYS C 70 7.932 -1.671 9.232 1.00 0.00 H new ATOM 0 HG3 LYS C 70 6.538 -1.362 8.216 1.00 0.00 H new ATOM 0 HD2 LYS C 70 7.824 -4.100 8.545 1.00 0.00 H new ATOM 0 HD3 LYS C 70 6.457 -3.542 9.488 1.00 0.00 H new ATOM 0 HE2 LYS C 70 5.174 -3.189 7.360 1.00 0.00 H new ATOM 0 HE3 LYS C 70 6.531 -3.838 6.461 1.00 0.00 H new ATOM 0 HZ1 LYS C 70 4.863 -5.523 6.867 1.00 0.00 H new ATOM 0 HZ2 LYS C 70 6.302 -5.924 7.674 1.00 0.00 H new ATOM 0 HZ3 LYS C 70 4.987 -5.295 8.545 1.00 0.00 H new ATOM 1756 N LYS C 71 10.188 -1.405 5.169 1.00 0.00 N ATOM 1757 CA LYS C 71 11.023 -1.343 3.971 1.00 0.00 C ATOM 1758 C LYS C 71 10.268 -1.807 2.730 1.00 0.00 C ATOM 1759 O LYS C 71 9.352 -2.619 2.823 1.00 0.00 O ATOM 1760 CB LYS C 71 12.277 -2.195 4.156 1.00 0.00 C ATOM 1761 CG LYS C 71 13.218 -1.694 5.242 1.00 0.00 C ATOM 1762 CD LYS C 71 13.927 -0.413 4.832 1.00 0.00 C ATOM 1763 CE LYS C 71 14.854 0.086 5.930 1.00 0.00 C ATOM 1764 NZ LYS C 71 15.908 -0.906 6.275 1.00 0.00 N ATOM 0 H LYS C 71 9.836 -2.337 5.387 1.00 0.00 H new ATOM 0 HA LYS C 71 11.306 -0.301 3.825 1.00 0.00 H new ATOM 0 HB2 LYS C 71 11.977 -3.216 4.393 1.00 0.00 H new ATOM 0 HB3 LYS C 71 12.819 -2.234 3.211 1.00 0.00 H new ATOM 0 HG2 LYS C 71 12.654 -1.519 6.158 1.00 0.00 H new ATOM 0 HG3 LYS C 71 13.958 -2.463 5.464 1.00 0.00 H new ATOM 0 HD2 LYS C 71 14.501 -0.588 3.922 1.00 0.00 H new ATOM 0 HD3 LYS C 71 13.189 0.355 4.601 1.00 0.00 H new ATOM 0 HE2 LYS C 71 15.324 1.016 5.610 1.00 0.00 H new ATOM 0 HE3 LYS C 71 14.268 0.315 6.820 1.00 0.00 H new ATOM 0 HZ1 LYS C 71 16.629 -0.453 6.872 1.00 0.00 H new ATOM 0 HZ2 LYS C 71 15.481 -1.701 6.792 1.00 0.00 H new ATOM 0 HZ3 LYS C 71 16.352 -1.258 5.403 1.00 0.00 H new ATOM 1778 N LEU C 72 10.678 -1.304 1.576 1.00 0.00 N ATOM 1779 CA LEU C 72 10.009 -1.597 0.307 1.00 0.00 C ATOM 1780 C LEU C 72 9.960 -3.095 -0.007 1.00 0.00 C ATOM 1781 O LEU C 72 8.890 -3.639 -0.293 1.00 0.00 O ATOM 1782 CB LEU C 72 10.716 -0.847 -0.821 1.00 0.00 C ATOM 1783 CG LEU C 72 10.531 0.669 -0.783 1.00 0.00 C ATOM 1784 CD1 LEU C 72 11.577 1.365 -1.622 1.00 0.00 C ATOM 1785 CD2 LEU C 72 9.142 1.043 -1.269 1.00 0.00 C ATOM 0 H LEU C 72 11.482 -0.682 1.487 1.00 0.00 H new ATOM 0 HA LEU C 72 8.975 -1.262 0.396 1.00 0.00 H new ATOM 0 HB2 LEU C 72 11.782 -1.072 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU C 72 10.349 -1.222 -1.776 1.00 0.00 H new ATOM 0 HG LEU C 72 10.647 0.996 0.250 1.00 0.00 H new ATOM 0 HD11 LEU C 72 11.421 2.443 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU C 72 12.569 1.125 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU C 72 11.496 1.030 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU C 72 9.025 2.126 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU C 72 9.009 0.694 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU C 72 8.394 0.577 -0.627 1.00 0.00 H new ATOM 1797 N GLN C 73 11.105 -3.767 0.071 1.00 0.00 N ATOM 1798 CA GLN C 73 11.184 -5.175 -0.333 1.00 0.00 C ATOM 1799 C GLN C 73 10.405 -6.071 0.618 1.00 0.00 C ATOM 1800 O GLN C 73 9.995 -7.173 0.255 1.00 0.00 O ATOM 1801 CB GLN C 73 12.610 -5.633 -0.419 1.00 0.00 C ATOM 1802 CG GLN C 73 12.786 -7.032 -0.969 1.00 0.00 C ATOM 1803 CD GLN C 73 12.478 -7.119 -2.442 1.00 0.00 C ATOM 1804 OE1 GLN C 73 11.648 -6.379 -2.973 1.00 0.00 O ATOM 1805 NE2 GLN C 73 13.150 -8.023 -3.117 1.00 0.00 N ATOM 0 H GLN C 73 11.983 -3.369 0.405 1.00 0.00 H new ATOM 0 HA GLN C 73 10.733 -5.252 -1.322 1.00 0.00 H new ATOM 0 HB2 GLN C 73 13.165 -4.936 -1.047 1.00 0.00 H new ATOM 0 HB3 GLN C 73 13.054 -5.588 0.576 1.00 0.00 H new ATOM 0 HG2 GLN C 73 13.811 -7.360 -0.796 1.00 0.00 H new ATOM 0 HG3 GLN C 73 12.136 -7.717 -0.425 1.00 0.00 H new ATOM 0 HE21 GLN C 73 13.829 -8.616 -2.639 1.00 0.00 H new ATOM 0 HE22 GLN C 73 12.993 -8.132 -4.119 1.00 0.00 H new ATOM 1814 N GLU C 74 10.194 -5.586 1.832 1.00 0.00 N ATOM 1815 CA GLU C 74 9.375 -6.292 2.805 1.00 0.00 C ATOM 1816 C GLU C 74 7.960 -6.454 2.272 1.00 0.00 C ATOM 1817 O GLU C 74 7.258 -7.406 2.605 1.00 0.00 O ATOM 1818 CB GLU C 74 9.355 -5.536 4.131 1.00 0.00 C ATOM 1819 CG GLU C 74 10.711 -5.470 4.809 1.00 0.00 C ATOM 1820 CD GLU C 74 11.211 -6.831 5.239 1.00 0.00 C ATOM 1821 OE1 GLU C 74 10.730 -7.341 6.272 1.00 0.00 O ATOM 1822 OE2 GLU C 74 12.095 -7.390 4.554 1.00 0.00 O ATOM 0 H GLU C 74 10.580 -4.703 2.168 1.00 0.00 H new ATOM 0 HA GLU C 74 9.805 -7.279 2.975 1.00 0.00 H new ATOM 0 HB2 GLU C 74 8.995 -4.522 3.957 1.00 0.00 H new ATOM 0 HB3 GLU C 74 8.644 -6.016 4.803 1.00 0.00 H new ATOM 0 HG2 GLU C 74 11.433 -5.020 4.127 1.00 0.00 H new ATOM 0 HG3 GLU C 74 10.646 -4.818 5.680 1.00 0.00 H new ATOM 1829 N TYR C 75 7.549 -5.512 1.433 1.00 0.00 N ATOM 1830 CA TYR C 75 6.231 -5.553 0.837 1.00 0.00 C ATOM 1831 C TYR C 75 6.284 -6.238 -0.521 1.00 0.00 C ATOM 1832 O TYR C 75 5.268 -6.699 -1.043 1.00 0.00 O ATOM 1833 CB TYR C 75 5.670 -4.144 0.693 1.00 0.00 C ATOM 1834 CG TYR C 75 5.707 -3.345 1.975 1.00 0.00 C ATOM 1835 CD1 TYR C 75 5.002 -3.759 3.096 1.00 0.00 C ATOM 1836 CD2 TYR C 75 6.432 -2.166 2.057 1.00 0.00 C ATOM 1837 CE1 TYR C 75 5.018 -3.019 4.262 1.00 0.00 C ATOM 1838 CE2 TYR C 75 6.459 -1.426 3.223 1.00 0.00 C ATOM 1839 CZ TYR C 75 5.748 -1.853 4.318 1.00 0.00 C ATOM 1840 OH TYR C 75 5.761 -1.103 5.472 1.00 0.00 O ATOM 0 H TYR C 75 8.115 -4.711 1.153 1.00 0.00 H new ATOM 0 HA TYR C 75 5.574 -6.126 1.491 1.00 0.00 H new ATOM 0 HB2 TYR C 75 6.236 -3.613 -0.073 1.00 0.00 H new ATOM 0 HB3 TYR C 75 4.640 -4.206 0.343 1.00 0.00 H new ATOM 0 HD1 TYR C 75 4.431 -4.675 3.056 1.00 0.00 H new ATOM 0 HD2 TYR C 75 6.984 -1.821 1.196 1.00 0.00 H new ATOM 0 HE1 TYR C 75 4.461 -3.353 5.125 1.00 0.00 H new ATOM 0 HE2 TYR C 75 7.037 -0.515 3.274 1.00 0.00 H new ATOM 0 HH TYR C 75 5.828 -0.152 5.244 1.00 0.00 H new ATOM 1850 N ASN C 76 7.501 -6.284 -1.080 1.00 0.00 N ATOM 1851 CA ASN C 76 7.791 -7.029 -2.304 1.00 0.00 C ATOM 1852 C ASN C 76 6.946 -6.527 -3.477 1.00 0.00 C ATOM 1853 O ASN C 76 6.498 -7.299 -4.322 1.00 0.00 O ATOM 1854 CB ASN C 76 7.547 -8.521 -2.057 1.00 0.00 C ATOM 1855 CG ASN C 76 8.088 -9.413 -3.159 1.00 0.00 C ATOM 1856 OD1 ASN C 76 9.121 -9.123 -3.763 1.00 0.00 O ATOM 1857 ND2 ASN C 76 7.388 -10.502 -3.434 1.00 0.00 N ATOM 0 H ASN C 76 8.312 -5.803 -0.692 1.00 0.00 H new ATOM 0 HA ASN C 76 8.836 -6.872 -2.571 1.00 0.00 H new ATOM 0 HB2 ASN C 76 8.008 -8.805 -1.111 1.00 0.00 H new ATOM 0 HB3 ASN C 76 6.476 -8.694 -1.954 1.00 0.00 H new ATOM 0 HD21 ASN C 76 7.700 -11.136 -4.170 1.00 0.00 H new ATOM 0 HD22 ASN C 76 6.537 -10.707 -2.910 1.00 0.00 H new ATOM 1864 N VAL C 77 6.754 -5.216 -3.537 1.00 0.00 N ATOM 1865 CA VAL C 77 5.885 -4.606 -4.546 1.00 0.00 C ATOM 1866 C VAL C 77 6.634 -4.268 -5.840 1.00 0.00 C ATOM 1867 O VAL C 77 6.198 -3.423 -6.624 1.00 0.00 O ATOM 1868 CB VAL C 77 5.221 -3.329 -3.997 1.00 0.00 C ATOM 1869 CG1 VAL C 77 4.287 -3.672 -2.852 1.00 0.00 C ATOM 1870 CG2 VAL C 77 6.274 -2.325 -3.547 1.00 0.00 C ATOM 0 H VAL C 77 7.188 -4.549 -2.899 1.00 0.00 H new ATOM 0 HA VAL C 77 5.122 -5.348 -4.782 1.00 0.00 H new ATOM 0 HB VAL C 77 4.637 -2.873 -4.797 1.00 0.00 H new ATOM 0 HG11 VAL C 77 3.825 -2.760 -2.474 1.00 0.00 H new ATOM 0 HG12 VAL C 77 3.512 -4.352 -3.206 1.00 0.00 H new ATOM 0 HG13 VAL C 77 4.852 -4.151 -2.052 1.00 0.00 H new ATOM 0 HG21 VAL C 77 5.783 -1.431 -3.163 1.00 0.00 H new ATOM 0 HG22 VAL C 77 6.887 -2.768 -2.762 1.00 0.00 H new ATOM 0 HG23 VAL C 77 6.906 -2.057 -4.393 1.00 0.00 H new ATOM 1880 N GLY C 78 7.752 -4.937 -6.062 1.00 0.00 N ATOM 1881 CA GLY C 78 8.544 -4.704 -7.227 1.00 0.00 C ATOM 1882 C GLY C 78 7.933 -5.273 -8.465 1.00 0.00 C ATOM 1883 O GLY C 78 7.960 -6.475 -8.730 1.00 0.00 O ATOM 0 H GLY C 78 8.123 -5.651 -5.435 1.00 0.00 H new ATOM 0 HA2 GLY C 78 8.684 -3.631 -7.357 1.00 0.00 H new ATOM 0 HA3 GLY C 78 9.533 -5.140 -7.082 1.00 0.00 H new ATOM 1887 N GLY C 79 7.387 -4.369 -9.196 1.00 0.00 N ATOM 1888 CA GLY C 79 6.852 -4.653 -10.520 1.00 0.00 C ATOM 1889 C GLY C 79 5.349 -4.894 -10.573 1.00 0.00 C ATOM 1890 O GLY C 79 4.833 -5.362 -11.590 1.00 0.00 O ATOM 0 H GLY C 79 7.288 -3.396 -8.908 1.00 0.00 H new ATOM 0 HA2 GLY C 79 7.094 -3.819 -11.179 1.00 0.00 H new ATOM 0 HA3 GLY C 79 7.359 -5.532 -10.919 1.00 0.00 H new ATOM 1894 N LYS C 80 4.647 -4.571 -9.504 1.00 0.00 N ATOM 1895 CA LYS C 80 3.187 -4.751 -9.444 1.00 0.00 C ATOM 1896 C LYS C 80 2.506 -3.460 -9.004 1.00 0.00 C ATOM 1897 O LYS C 80 3.097 -2.702 -8.239 1.00 0.00 O ATOM 1898 CB LYS C 80 2.844 -5.868 -8.458 1.00 0.00 C ATOM 1899 CG LYS C 80 3.143 -7.266 -8.976 1.00 0.00 C ATOM 1900 CD LYS C 80 2.187 -7.672 -10.088 1.00 0.00 C ATOM 1901 CE LYS C 80 0.747 -7.741 -9.598 1.00 0.00 C ATOM 1902 NZ LYS C 80 -0.183 -8.163 -10.674 1.00 0.00 N ATOM 0 H LYS C 80 5.055 -4.180 -8.655 1.00 0.00 H new ATOM 0 HA LYS C 80 2.830 -5.017 -10.439 1.00 0.00 H new ATOM 0 HB2 LYS C 80 3.401 -5.707 -7.535 1.00 0.00 H new ATOM 0 HB3 LYS C 80 1.785 -5.804 -8.207 1.00 0.00 H new ATOM 0 HG2 LYS C 80 4.168 -7.306 -9.345 1.00 0.00 H new ATOM 0 HG3 LYS C 80 3.072 -7.981 -8.156 1.00 0.00 H new ATOM 0 HD2 LYS C 80 2.258 -6.957 -10.908 1.00 0.00 H new ATOM 0 HD3 LYS C 80 2.483 -8.643 -10.485 1.00 0.00 H new ATOM 0 HE2 LYS C 80 0.680 -8.441 -8.765 1.00 0.00 H new ATOM 0 HE3 LYS C 80 0.445 -6.765 -9.219 1.00 0.00 H new ATOM 0 HZ1 LYS C 80 -1.153 -8.198 -10.301 1.00 0.00 H new ATOM 0 HZ2 LYS C 80 -0.138 -7.482 -11.459 1.00 0.00 H new ATOM 0 HZ3 LYS C 80 0.089 -9.106 -11.018 1.00 0.00 H new ATOM 1916 N VAL C 81 1.273 -3.193 -9.482 1.00 0.00 N ATOM 1917 CA VAL C 81 0.575 -1.976 -9.065 1.00 0.00 C ATOM 1918 C VAL C 81 -0.035 -2.127 -7.678 1.00 0.00 C ATOM 1919 O VAL C 81 -0.839 -3.025 -7.411 1.00 0.00 O ATOM 1920 CB VAL C 81 -0.504 -1.433 -10.040 1.00 0.00 C ATOM 1921 CG1 VAL C 81 0.012 -1.175 -11.439 1.00 0.00 C ATOM 1922 CG2 VAL C 81 -1.692 -2.319 -10.108 1.00 0.00 C ATOM 0 H VAL C 81 0.760 -3.786 -10.135 1.00 0.00 H new ATOM 0 HA VAL C 81 1.370 -1.230 -9.062 1.00 0.00 H new ATOM 0 HB VAL C 81 -0.795 -0.472 -9.616 1.00 0.00 H new ATOM 0 HG11 VAL C 81 -0.799 -0.797 -12.062 1.00 0.00 H new ATOM 0 HG12 VAL C 81 0.814 -0.438 -11.401 1.00 0.00 H new ATOM 0 HG13 VAL C 81 0.393 -2.104 -11.863 1.00 0.00 H new ATOM 0 HG21 VAL C 81 -2.420 -1.899 -10.802 1.00 0.00 H new ATOM 0 HG22 VAL C 81 -1.389 -3.307 -10.454 1.00 0.00 H new ATOM 0 HG23 VAL C 81 -2.141 -2.402 -9.118 1.00 0.00 H new ATOM 1932 N ILE C 82 0.396 -1.252 -6.790 1.00 0.00 N ATOM 1933 CA ILE C 82 -0.175 -1.147 -5.468 1.00 0.00 C ATOM 1934 C ILE C 82 -1.503 -0.421 -5.560 1.00 0.00 C ATOM 1935 O ILE C 82 -1.818 0.152 -6.586 1.00 0.00 O ATOM 1936 CB ILE C 82 0.765 -0.386 -4.516 1.00 0.00 C ATOM 1937 CG1 ILE C 82 2.138 -0.982 -4.555 1.00 0.00 C ATOM 1938 CG2 ILE C 82 0.240 -0.365 -3.088 1.00 0.00 C ATOM 1939 CD1 ILE C 82 3.098 -0.331 -3.597 1.00 0.00 C ATOM 0 H ILE C 82 1.154 -0.594 -6.969 1.00 0.00 H new ATOM 0 HA ILE C 82 -0.320 -2.151 -5.069 1.00 0.00 H new ATOM 0 HB ILE C 82 0.811 0.647 -4.861 1.00 0.00 H new ATOM 0 HG12 ILE C 82 2.071 -2.045 -4.325 1.00 0.00 H new ATOM 0 HG13 ILE C 82 2.534 -0.899 -5.567 1.00 0.00 H new ATOM 0 HG21 ILE C 82 0.936 0.183 -2.452 1.00 0.00 H new ATOM 0 HG22 ILE C 82 -0.734 0.124 -3.066 1.00 0.00 H new ATOM 0 HG23 ILE C 82 0.141 -1.387 -2.722 1.00 0.00 H new ATOM 0 HD11 ILE C 82 4.073 -0.811 -3.677 1.00 0.00 H new ATOM 0 HD12 ILE C 82 3.193 0.727 -3.840 1.00 0.00 H new ATOM 0 HD13 ILE C 82 2.724 -0.437 -2.579 1.00 0.00 H new ATOM 1951 N HIS C 83 -2.302 -0.464 -4.522 1.00 0.00 N ATOM 1952 CA HIS C 83 -3.544 0.272 -4.523 1.00 0.00 C ATOM 1953 C HIS C 83 -3.538 1.302 -3.406 1.00 0.00 C ATOM 1954 O HIS C 83 -3.470 0.952 -2.229 1.00 0.00 O ATOM 1955 CB HIS C 83 -4.727 -0.692 -4.364 1.00 0.00 C ATOM 1956 CG HIS C 83 -4.938 -1.594 -5.547 1.00 0.00 C ATOM 1957 ND1 HIS C 83 -5.560 -2.819 -5.458 1.00 0.00 N ATOM 1958 CD2 HIS C 83 -4.604 -1.444 -6.851 1.00 0.00 C ATOM 1959 CE1 HIS C 83 -5.600 -3.380 -6.654 1.00 0.00 C ATOM 1960 NE2 HIS C 83 -5.028 -2.566 -7.517 1.00 0.00 N ATOM 0 H HIS C 83 -2.118 -0.996 -3.672 1.00 0.00 H new ATOM 0 HA HIS C 83 -3.650 0.794 -5.474 1.00 0.00 H new ATOM 0 HB2 HIS C 83 -4.568 -1.304 -3.476 1.00 0.00 H new ATOM 0 HB3 HIS C 83 -5.635 -0.113 -4.194 1.00 0.00 H new ATOM 0 HD1 HIS C 83 -5.932 -3.230 -4.602 1.00 0.00 H new ATOM 0 HD2 HIS C 83 -4.097 -0.596 -7.287 1.00 0.00 H new ATOM 0 HE1 HIS C 83 -6.029 -4.344 -6.885 1.00 0.00 H new ATOM 1969 N LEU C 84 -3.591 2.567 -3.779 1.00 0.00 N ATOM 1970 CA LEU C 84 -3.540 3.650 -2.803 1.00 0.00 C ATOM 1971 C LEU C 84 -4.919 4.070 -2.322 1.00 0.00 C ATOM 1972 O LEU C 84 -5.928 3.823 -2.987 1.00 0.00 O ATOM 1973 CB LEU C 84 -2.802 4.850 -3.369 1.00 0.00 C ATOM 1974 CG LEU C 84 -1.302 4.851 -3.113 1.00 0.00 C ATOM 1975 CD1 LEU C 84 -0.678 6.121 -3.651 1.00 0.00 C ATOM 1976 CD2 LEU C 84 -1.021 4.709 -1.631 1.00 0.00 C ATOM 0 H LEU C 84 -3.669 2.874 -4.749 1.00 0.00 H new ATOM 0 HA LEU C 84 -2.997 3.264 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU C 84 -2.974 4.891 -4.445 1.00 0.00 H new ATOM 0 HB3 LEU C 84 -3.230 5.757 -2.943 1.00 0.00 H new ATOM 0 HG LEU C 84 -0.859 4.001 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU C 84 0.395 6.108 -3.461 1.00 0.00 H new ATOM 0 HD12 LEU C 84 -0.856 6.187 -4.724 1.00 0.00 H new ATOM 0 HD13 LEU C 84 -1.124 6.984 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU C 84 0.056 4.711 -1.463 1.00 0.00 H new ATOM 0 HD22 LEU C 84 -1.474 5.542 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU C 84 -1.443 3.771 -1.269 1.00 0.00 H new ATOM 1988 N VAL C 85 -4.940 4.690 -1.145 1.00 0.00 N ATOM 1989 CA VAL C 85 -6.177 5.142 -0.512 1.00 0.00 C ATOM 1990 C VAL C 85 -6.053 6.584 -0.041 1.00 0.00 C ATOM 1991 O VAL C 85 -4.946 7.095 0.111 1.00 0.00 O ATOM 1992 CB VAL C 85 -6.540 4.278 0.722 1.00 0.00 C ATOM 1993 CG1 VAL C 85 -6.305 2.812 0.446 1.00 0.00 C ATOM 1994 CG2 VAL C 85 -5.766 4.711 1.962 1.00 0.00 C ATOM 0 H VAL C 85 -4.100 4.893 -0.603 1.00 0.00 H new ATOM 0 HA VAL C 85 -6.957 5.052 -1.268 1.00 0.00 H new ATOM 0 HB VAL C 85 -7.601 4.431 0.918 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -6.568 2.229 1.329 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -6.923 2.496 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -5.254 2.651 0.205 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -6.048 4.081 2.806 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -4.697 4.611 1.777 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -5.999 5.751 2.192 1.00 0.00 H new ATOM 2004 N GLU C 86 -7.189 7.224 0.193 1.00 0.00 N ATOM 2005 CA GLU C 86 -7.213 8.495 0.896 1.00 0.00 C ATOM 2006 C GLU C 86 -8.206 8.419 2.044 1.00 0.00 C ATOM 2007 O GLU C 86 -9.385 8.115 1.838 1.00 0.00 O ATOM 2008 CB GLU C 86 -7.585 9.643 -0.016 1.00 0.00 C ATOM 2009 CG GLU C 86 -6.916 10.952 0.379 1.00 0.00 C ATOM 2010 CD GLU C 86 -7.481 12.156 -0.344 1.00 0.00 C ATOM 2011 OE1 GLU C 86 -7.256 12.293 -1.558 1.00 0.00 O ATOM 2012 OE2 GLU C 86 -8.138 12.989 0.314 1.00 0.00 O ATOM 0 H GLU C 86 -8.106 6.883 -0.094 1.00 0.00 H new ATOM 0 HA GLU C 86 -6.208 8.684 1.273 1.00 0.00 H new ATOM 0 HB2 GLU C 86 -7.306 9.393 -1.040 1.00 0.00 H new ATOM 0 HB3 GLU C 86 -8.667 9.775 -0.003 1.00 0.00 H new ATOM 0 HG2 GLU C 86 -7.025 11.098 1.454 1.00 0.00 H new ATOM 0 HG3 GLU C 86 -5.848 10.882 0.174 1.00 0.00 H new ATOM 2019 N ARG C 87 -7.725 8.674 3.250 1.00 0.00 N ATOM 2020 CA ARG C 87 -8.566 8.646 4.425 1.00 0.00 C ATOM 2021 C ARG C 87 -9.449 9.878 4.462 1.00 0.00 C ATOM 2022 O ARG C 87 -9.285 10.803 3.666 1.00 0.00 O ATOM 2023 CB ARG C 87 -7.712 8.591 5.693 1.00 0.00 C ATOM 2024 CG ARG C 87 -6.672 7.485 5.687 1.00 0.00 C ATOM 2025 CD ARG C 87 -6.051 7.314 7.063 1.00 0.00 C ATOM 2026 NE ARG C 87 -7.049 6.930 8.062 1.00 0.00 N ATOM 2027 CZ ARG C 87 -6.840 6.940 9.379 1.00 0.00 C ATOM 2028 NH1 ARG C 87 -5.661 7.294 9.872 1.00 0.00 N ATOM 2029 NH2 ARG C 87 -7.815 6.583 10.203 1.00 0.00 N ATOM 0 H ARG C 87 -6.749 8.904 3.436 1.00 0.00 H new ATOM 0 HA ARG C 87 -9.191 7.754 4.380 1.00 0.00 H new ATOM 0 HB2 ARG C 87 -7.208 9.549 5.822 1.00 0.00 H new ATOM 0 HB3 ARG C 87 -8.366 8.456 6.554 1.00 0.00 H new ATOM 0 HG2 ARG C 87 -7.134 6.549 5.374 1.00 0.00 H new ATOM 0 HG3 ARG C 87 -5.894 7.716 4.959 1.00 0.00 H new ATOM 0 HD2 ARG C 87 -5.270 6.555 7.018 1.00 0.00 H new ATOM 0 HD3 ARG C 87 -5.573 8.246 7.365 1.00 0.00 H new ATOM 0 HE ARG C 87 -7.967 6.635 7.728 1.00 0.00 H new ATOM 0 HH11 ARG C 87 -4.905 7.562 9.242 1.00 0.00 H new ATOM 0 HH12 ARG C 87 -5.511 7.299 10.881 1.00 0.00 H new ATOM 0 HH21 ARG C 87 -8.721 6.302 9.829 1.00 0.00 H new ATOM 0 HH22 ARG C 87 -7.659 6.589 11.211 1.00 0.00 H new ATOM 2043 N ALA C 88 -10.375 9.888 5.390 1.00 0.00 N ATOM 2044 CA ALA C 88 -11.260 10.993 5.560 1.00 0.00 C ATOM 2045 C ALA C 88 -11.223 11.486 6.998 1.00 0.00 C ATOM 2046 O ALA C 88 -11.210 10.690 7.937 1.00 0.00 O ATOM 2047 CB ALA C 88 -12.672 10.630 5.146 1.00 0.00 C ATOM 0 H ALA C 88 -10.529 9.123 6.046 1.00 0.00 H new ATOM 0 HA ALA C 88 -10.924 11.802 4.911 1.00 0.00 H new ATOM 0 HB1 ALA C 88 -13.325 11.491 5.286 1.00 0.00 H new ATOM 0 HB2 ALA C 88 -12.679 10.336 4.096 1.00 0.00 H new ATOM 0 HB3 ALA C 88 -13.029 9.801 5.757 1.00 0.00 H new ATOM 2053 N PRO C 89 -11.189 12.811 7.180 1.00 0.00 N ATOM 2054 CA PRO C 89 -11.091 13.440 8.502 1.00 0.00 C ATOM 2055 C PRO C 89 -12.302 13.132 9.383 1.00 0.00 C ATOM 2056 O PRO C 89 -13.441 13.193 8.915 1.00 0.00 O ATOM 2057 CB PRO C 89 -11.037 14.936 8.185 1.00 0.00 C ATOM 2058 CG PRO C 89 -10.626 15.005 6.761 1.00 0.00 C ATOM 2059 CD PRO C 89 -11.247 13.809 6.111 1.00 0.00 C ATOM 0 HA PRO C 89 -10.228 13.076 9.059 1.00 0.00 H new ATOM 0 HB2 PRO C 89 -12.007 15.409 8.341 1.00 0.00 H new ATOM 0 HB3 PRO C 89 -10.324 15.452 8.828 1.00 0.00 H new ATOM 0 HG2 PRO C 89 -10.971 15.929 6.296 1.00 0.00 H new ATOM 0 HG3 PRO C 89 -9.541 14.986 6.664 1.00 0.00 H new ATOM 0 HD2 PRO C 89 -12.271 14.005 5.792 1.00 0.00 H new ATOM 0 HD3 PRO C 89 -10.693 13.492 5.228 1.00 0.00 H new ATOM 2067 N PRO C 90 -12.086 12.828 10.678 1.00 0.00 N ATOM 2068 CA PRO C 90 -13.168 12.496 11.611 1.00 0.00 C ATOM 2069 C PRO C 90 -13.922 13.727 12.100 1.00 0.00 C ATOM 2070 O PRO C 90 -14.592 13.695 13.132 1.00 0.00 O ATOM 2071 CB PRO C 90 -12.462 11.807 12.781 1.00 0.00 C ATOM 2072 CG PRO C 90 -11.009 11.749 12.426 1.00 0.00 C ATOM 2073 CD PRO C 90 -10.781 12.767 11.344 1.00 0.00 C ATOM 0 HA PRO C 90 -13.921 11.872 11.131 1.00 0.00 H new ATOM 0 HB2 PRO C 90 -12.613 12.362 13.707 1.00 0.00 H new ATOM 0 HB3 PRO C 90 -12.863 10.806 12.941 1.00 0.00 H new ATOM 0 HG2 PRO C 90 -10.390 11.966 13.297 1.00 0.00 H new ATOM 0 HG3 PRO C 90 -10.736 10.752 12.081 1.00 0.00 H new ATOM 0 HD2 PRO C 90 -10.490 13.734 11.753 1.00 0.00 H new ATOM 0 HD3 PRO C 90 -9.991 12.460 10.659 1.00 0.00 H new ATOM 2081 N GLN C 91 -13.795 14.811 11.358 1.00 0.00 N ATOM 2082 CA GLN C 91 -14.537 16.023 11.638 1.00 0.00 C ATOM 2083 C GLN C 91 -15.786 16.088 10.766 1.00 0.00 C ATOM 2084 O GLN C 91 -16.724 16.830 11.056 1.00 0.00 O ATOM 2085 CB GLN C 91 -13.660 17.266 11.451 1.00 0.00 C ATOM 2086 CG GLN C 91 -12.844 17.277 10.171 1.00 0.00 C ATOM 2087 CD GLN C 91 -12.070 18.519 9.984 1.00 0.00 C ATOM 2088 OE1 GLN C 91 -11.635 19.187 10.924 1.00 0.00 O ATOM 2089 NE2 GLN C 91 -11.932 18.837 8.728 1.00 0.00 N ATOM 0 H GLN C 91 -13.178 14.875 10.549 1.00 0.00 H new ATOM 0 HA GLN C 91 -14.849 16.003 12.682 1.00 0.00 H new ATOM 0 HB2 GLN C 91 -14.297 18.150 11.468 1.00 0.00 H new ATOM 0 HB3 GLN C 91 -12.981 17.347 12.300 1.00 0.00 H new ATOM 0 HG2 GLN C 91 -12.160 16.428 10.177 1.00 0.00 H new ATOM 0 HG3 GLN C 91 -13.513 17.142 9.321 1.00 0.00 H new ATOM 0 HE21 GLN C 91 -12.320 18.233 8.003 1.00 0.00 H new ATOM 0 HE22 GLN C 91 -11.436 19.690 8.469 1.00 0.00 H new ATOM 2098 N THR C 92 -15.786 15.312 9.691 1.00 0.00 N ATOM 2099 CA THR C 92 -16.967 15.141 8.877 1.00 0.00 C ATOM 2100 C THR C 92 -17.080 13.689 8.402 1.00 0.00 C ATOM 2101 O THR C 92 -16.297 13.217 7.578 1.00 0.00 O ATOM 2102 CB THR C 92 -16.978 16.126 7.683 1.00 0.00 C ATOM 2103 OG1 THR C 92 -18.202 16.005 6.943 1.00 0.00 O ATOM 2104 CG2 THR C 92 -15.788 15.921 6.753 1.00 0.00 C ATOM 0 H THR C 92 -14.972 14.790 9.366 1.00 0.00 H new ATOM 0 HA THR C 92 -17.839 15.370 9.490 1.00 0.00 H new ATOM 0 HB THR C 92 -16.902 17.131 8.099 1.00 0.00 H new ATOM 0 HG1 THR C 92 -18.176 15.191 6.398 1.00 0.00 H new ATOM 0 HG21 THR C 92 -15.841 16.635 5.932 1.00 0.00 H new ATOM 0 HG22 THR C 92 -14.862 16.074 7.308 1.00 0.00 H new ATOM 0 HG23 THR C 92 -15.809 14.907 6.354 1.00 0.00 H new ATOM 2112 N HIS C 93 -18.035 12.969 8.965 1.00 0.00 N ATOM 2113 CA HIS C 93 -18.266 11.585 8.585 1.00 0.00 C ATOM 2114 C HIS C 93 -19.236 11.528 7.413 1.00 0.00 C ATOM 2115 O HIS C 93 -19.257 10.562 6.652 1.00 0.00 O ATOM 2116 CB HIS C 93 -18.809 10.786 9.765 1.00 0.00 C ATOM 2117 CG HIS C 93 -18.675 9.299 9.609 1.00 0.00 C ATOM 2118 ND1 HIS C 93 -19.477 8.395 10.271 1.00 0.00 N ATOM 2119 CD2 HIS C 93 -17.802 8.558 8.883 1.00 0.00 C ATOM 2120 CE1 HIS C 93 -19.103 7.168 9.962 1.00 0.00 C ATOM 2121 NE2 HIS C 93 -18.089 7.238 9.123 1.00 0.00 N ATOM 0 H HIS C 93 -18.664 13.320 9.688 1.00 0.00 H new ATOM 0 HA HIS C 93 -17.317 11.141 8.283 1.00 0.00 H new ATOM 0 HB2 HIS C 93 -18.287 11.095 10.671 1.00 0.00 H new ATOM 0 HB3 HIS C 93 -19.861 11.033 9.904 1.00 0.00 H new ATOM 0 HD2 HIS C 93 -17.025 8.937 8.236 1.00 0.00 H new ATOM 0 HE1 HIS C 93 -19.552 6.259 10.334 1.00 0.00 H new ATOM 0 HE2 HIS C 93 -17.598 6.441 8.718 1.00 0.00 H new ATOM 2130 N LEU C 94 -20.029 12.580 7.271 1.00 0.00 N ATOM 2131 CA LEU C 94 -20.973 12.687 6.176 1.00 0.00 C ATOM 2132 C LEU C 94 -20.254 13.077 4.890 1.00 0.00 C ATOM 2133 O LEU C 94 -19.378 13.947 4.903 1.00 0.00 O ATOM 2134 CB LEU C 94 -22.046 13.714 6.505 1.00 0.00 C ATOM 2135 CG LEU C 94 -22.885 13.415 7.749 1.00 0.00 C ATOM 2136 CD1 LEU C 94 -23.876 14.539 7.998 1.00 0.00 C ATOM 2137 CD2 LEU C 94 -23.612 12.087 7.601 1.00 0.00 C ATOM 0 H LEU C 94 -20.034 13.376 7.908 1.00 0.00 H new ATOM 0 HA LEU C 94 -21.446 11.716 6.031 1.00 0.00 H new ATOM 0 HB2 LEU C 94 -21.567 14.685 6.636 1.00 0.00 H new ATOM 0 HB3 LEU C 94 -22.715 13.801 5.649 1.00 0.00 H new ATOM 0 HG LEU C 94 -22.216 13.343 8.607 1.00 0.00 H new ATOM 0 HD11 LEU C 94 -24.466 14.313 8.886 1.00 0.00 H new ATOM 0 HD12 LEU C 94 -23.336 15.474 8.149 1.00 0.00 H new ATOM 0 HD13 LEU C 94 -24.538 14.638 7.138 1.00 0.00 H new ATOM 0 HD21 LEU C 94 -24.203 11.894 8.497 1.00 0.00 H new ATOM 0 HD22 LEU C 94 -24.271 12.128 6.734 1.00 0.00 H new ATOM 0 HD23 LEU C 94 -22.884 11.287 7.467 1.00 0.00 H new ATOM 2149 N PRO C 95 -20.600 12.424 3.770 1.00 0.00 N ATOM 2150 CA PRO C 95 -20.020 12.733 2.462 1.00 0.00 C ATOM 2151 C PRO C 95 -20.336 14.159 2.026 1.00 0.00 C ATOM 2152 O PRO C 95 -21.502 14.524 1.862 1.00 0.00 O ATOM 2153 CB PRO C 95 -20.681 11.733 1.508 1.00 0.00 C ATOM 2154 CG PRO C 95 -21.275 10.677 2.376 1.00 0.00 C ATOM 2155 CD PRO C 95 -21.579 11.331 3.696 1.00 0.00 C ATOM 0 HA PRO C 95 -18.933 12.658 2.478 1.00 0.00 H new ATOM 0 HB2 PRO C 95 -21.447 12.218 0.902 1.00 0.00 H new ATOM 0 HB3 PRO C 95 -19.951 11.308 0.819 1.00 0.00 H new ATOM 0 HG2 PRO C 95 -22.181 10.270 1.927 1.00 0.00 H new ATOM 0 HG3 PRO C 95 -20.582 9.846 2.505 1.00 0.00 H new ATOM 0 HD2 PRO C 95 -22.602 11.705 3.732 1.00 0.00 H new ATOM 0 HD3 PRO C 95 -21.465 10.633 4.526 1.00 0.00 H new ATOM 2163 N SER C 96 -19.296 14.955 1.842 1.00 0.00 N ATOM 2164 CA SER C 96 -19.448 16.329 1.457 1.00 0.00 C ATOM 2165 C SER C 96 -18.205 16.802 0.715 1.00 0.00 C ATOM 2166 O SER C 96 -17.185 17.121 1.326 1.00 0.00 O ATOM 2167 CB SER C 96 -19.718 17.200 2.690 1.00 0.00 C ATOM 2168 OG SER C 96 -20.028 18.534 2.326 1.00 0.00 O ATOM 0 H SER C 96 -18.327 14.658 1.958 1.00 0.00 H new ATOM 0 HA SER C 96 -20.303 16.419 0.787 1.00 0.00 H new ATOM 0 HB2 SER C 96 -20.544 16.777 3.262 1.00 0.00 H new ATOM 0 HB3 SER C 96 -18.843 17.193 3.340 1.00 0.00 H new ATOM 0 HG SER C 96 -20.196 19.063 3.134 1.00 0.00 H new ATOM 2174 N GLY C 97 -18.287 16.817 -0.608 1.00 0.00 N ATOM 2175 CA GLY C 97 -17.151 17.198 -1.420 1.00 0.00 C ATOM 2176 C GLY C 97 -16.287 16.006 -1.775 1.00 0.00 C ATOM 2177 O GLY C 97 -15.203 16.155 -2.335 1.00 0.00 O ATOM 0 H GLY C 97 -19.125 16.571 -1.135 1.00 0.00 H new ATOM 0 HA2 GLY C 97 -17.502 17.677 -2.334 1.00 0.00 H new ATOM 0 HA3 GLY C 97 -16.552 17.934 -0.884 1.00 0.00 H new ATOM 2181 N ALA C 98 -16.777 14.816 -1.460 1.00 0.00 N ATOM 2182 CA ALA C 98 -16.032 13.590 -1.700 1.00 0.00 C ATOM 2183 C ALA C 98 -16.922 12.532 -2.345 1.00 0.00 C ATOM 2184 O ALA C 98 -17.388 11.604 -1.682 1.00 0.00 O ATOM 2185 CB ALA C 98 -15.439 13.070 -0.397 1.00 0.00 C ATOM 0 H ALA C 98 -17.693 14.674 -1.035 1.00 0.00 H new ATOM 0 HA ALA C 98 -15.217 13.812 -2.389 1.00 0.00 H new ATOM 0 HB1 ALA C 98 -14.884 12.152 -0.591 1.00 0.00 H new ATOM 0 HB2 ALA C 98 -14.767 13.819 0.021 1.00 0.00 H new ATOM 0 HB3 ALA C 98 -16.241 12.866 0.312 1.00 0.00 H new ATOM 2191 N SER C 99 -17.166 12.683 -3.640 1.00 0.00 N ATOM 2192 CA SER C 99 -18.000 11.741 -4.371 1.00 0.00 C ATOM 2193 C SER C 99 -17.232 11.113 -5.533 1.00 0.00 C ATOM 2194 O SER C 99 -17.776 10.314 -6.295 1.00 0.00 O ATOM 2195 CB SER C 99 -19.261 12.436 -4.878 1.00 0.00 C ATOM 2196 OG SER C 99 -19.995 13.008 -3.804 1.00 0.00 O ATOM 0 H SER C 99 -16.798 13.449 -4.205 1.00 0.00 H new ATOM 0 HA SER C 99 -18.289 10.942 -3.689 1.00 0.00 H new ATOM 0 HB2 SER C 99 -18.990 13.213 -5.592 1.00 0.00 H new ATOM 0 HB3 SER C 99 -19.887 11.719 -5.410 1.00 0.00 H new ATOM 0 HG SER C 99 -20.797 13.449 -4.154 1.00 0.00 H new ATOM 2202 N SER C 100 -15.959 11.464 -5.657 1.00 0.00 N ATOM 2203 CA SER C 100 -15.109 10.900 -6.699 1.00 0.00 C ATOM 2204 C SER C 100 -14.334 9.696 -6.168 1.00 0.00 C ATOM 2205 O SER C 100 -13.170 9.485 -6.508 1.00 0.00 O ATOM 2206 CB SER C 100 -14.144 11.961 -7.229 1.00 0.00 C ATOM 2207 OG SER C 100 -14.853 13.056 -7.790 1.00 0.00 O ATOM 0 H SER C 100 -15.491 12.137 -5.049 1.00 0.00 H new ATOM 0 HA SER C 100 -15.745 10.565 -7.518 1.00 0.00 H new ATOM 0 HB2 SER C 100 -13.504 12.313 -6.420 1.00 0.00 H new ATOM 0 HB3 SER C 100 -13.491 11.521 -7.983 1.00 0.00 H new ATOM 0 HG SER C 100 -14.216 13.723 -8.121 1.00 0.00 H new ATOM 2213 N GLY C 101 -14.988 8.914 -5.325 1.00 0.00 N ATOM 2214 CA GLY C 101 -14.373 7.730 -4.776 1.00 0.00 C ATOM 2215 C GLY C 101 -15.413 6.717 -4.362 1.00 0.00 C ATOM 2216 O GLY C 101 -15.801 5.885 -5.207 1.00 0.00 O ATOM 2217 OXT GLY C 101 -15.871 6.775 -3.202 1.00 0.00 O ATOM 0 H GLY C 101 -15.943 9.082 -5.010 1.00 0.00 H new ATOM 0 HA2 GLY C 101 -13.705 7.288 -5.515 1.00 0.00 H new ATOM 0 HA3 GLY C 101 -13.762 8.000 -3.915 1.00 0.00 H new TER 2221 GLY C 101 HETATM 2222 ZN ZN A 101 -15.448 -2.383 -3.121 1.00 0.00 ZN