USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 828 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 HIS : no HD1:sc= -1.44 K(o=-1.7,f=-3.4!) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 157:sc= -0.283 (180deg=-1.37!) USER MOD Set 2.1: A 42 GLN : amide:sc=-0.00837 X(o=0.79,f=0.8) USER MOD Set 2.2: A 47 THR OG1 : rot 147:sc= 0.803 USER MOD Set 3.1: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 30 MET CE :methyl -165:sc= 0 (180deg=-0.629) USER MOD Single : A 6 LYS NZ :NH3+ 161:sc= -0.0582 (180deg=-0.725) USER MOD Single : A 9 MET CE :methyl -164:sc= 0 (180deg=-0.361) USER MOD Single : A 10 ASN : amide:sc= -3.01! K(o=-3!,f=-1.1) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -4.43! C(o=-4.4!,f=-12!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.084 X(o=-0.084,f=-0.38) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot -143:sc= 0.698 USER MOD Single : A 36 SER OG : rot -151:sc= 0.0743 USER MOD Single : A 37 LYS NZ :NH3+ 160:sc= -0.0711 (180deg=-0.822) USER MOD Single : A 38 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.6) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0531) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= -2.02 (180deg=-2.36) USER MOD Single : A 56 GLN : amide:sc= 0.26 X(o=0.26,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.0422 X(o=-0.042,f=-0.084) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl -168:sc= -0.558 (180deg=-0.952) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.613 K(o=-0.61,f=-0.095) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -125:sc= -0.329 (180deg=-3.15!) USER MOD Single : A 74 TYR OH : rot 87:sc= -0.809! USER MOD Single : B 1 DG O5' : rot 180:sc= -0.0985 USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD Single : C 9 DG O5' : rot -74:sc= -0.257! USER MOD Single : C 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 11 DT C7 :methyl -30:sc= -0.538 (180deg=-0.849) USER MOD Single : C 12 DT C7 :methyl -30:sc= 0 (180deg=-0.00647) USER MOD Single : C 14 DT C7 :methyl -30:sc= -0.596 (180deg=-1.02) USER MOD Single : C 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG B 1 3.726 8.081 -0.444 1.00 1.26 O ATOM 2 C5' DG B 1 4.662 8.615 0.497 1.00 1.16 C ATOM 3 C4' DG B 1 5.848 7.682 0.704 1.00 1.04 C ATOM 4 O4' DG B 1 5.479 6.593 1.580 1.00 1.01 O ATOM 5 C3' DG B 1 6.353 7.091 -0.614 1.00 1.06 C ATOM 6 O3' DG B 1 7.657 7.587 -0.924 1.00 1.09 O ATOM 7 C2' DG B 1 6.384 5.597 -0.400 1.00 1.05 C ATOM 8 C1' DG B 1 5.840 5.327 0.997 1.00 1.00 C ATOM 9 N9 DG B 1 4.676 4.423 0.933 1.00 1.02 N ATOM 10 C8 DG B 1 3.521 4.546 0.257 1.00 1.15 C ATOM 11 N7 DG B 1 2.630 3.626 0.330 1.00 1.17 N ATOM 12 C5 DG B 1 3.271 2.724 1.192 1.00 1.03 C ATOM 13 C6 DG B 1 2.829 1.471 1.694 1.00 1.01 C ATOM 14 O6 DG B 1 1.767 0.889 1.481 1.00 1.09 O ATOM 15 N1 DG B 1 3.777 0.894 2.524 1.00 0.97 N ATOM 16 C2 DG B 1 5.002 1.441 2.847 1.00 0.97 C ATOM 17 N2 DG B 1 5.768 0.724 3.673 1.00 1.08 N ATOM 18 N3 DG B 1 5.432 2.620 2.383 1.00 0.94 N ATOM 19 C4 DG B 1 4.527 3.207 1.567 1.00 0.96 C ATOM 0 H5' DG B 1 4.162 8.785 1.451 1.00 1.16 H new ATOM 0 H5'' DG B 1 5.018 9.584 0.146 1.00 1.16 H new ATOM 0 H4' DG B 1 6.645 8.279 1.147 1.00 1.04 H new ATOM 0 H3' DG B 1 5.711 7.364 -1.451 1.00 1.06 H new ATOM 0 H2' DG B 1 5.781 5.089 -1.152 1.00 1.05 H new ATOM 0 H2'' DG B 1 7.401 5.216 -0.496 1.00 1.05 H new ATOM 0 HO5' DG B 1 2.978 8.705 -0.551 1.00 1.26 H new ATOM 0 H1' DG B 1 6.595 4.836 1.611 1.00 1.00 H new ATOM 0 H8 DG B 1 3.342 5.422 -0.349 1.00 1.15 H new ATOM 0 H1 DG B 1 3.550 -0.013 2.931 1.00 0.97 H new ATOM 0 H21 DG B 1 6.685 1.074 3.950 1.00 1.08 H new ATOM 0 H22 DG B 1 5.436 -0.173 4.027 1.00 1.08 H new ATOM 32 P DC B 2 8.194 7.592 -2.443 1.00 1.21 P ATOM 33 OP1 DC B 2 9.356 8.506 -2.521 1.00 1.61 O ATOM 34 OP2 DC B 2 7.037 7.794 -3.344 1.00 1.28 O ATOM 35 O5' DC B 2 8.725 6.083 -2.633 1.00 1.08 O ATOM 36 C5' DC B 2 10.116 5.786 -2.492 1.00 0.96 C ATOM 37 C4' DC B 2 10.357 4.290 -2.254 1.00 0.91 C ATOM 38 O4' DC B 2 9.336 3.729 -1.401 1.00 0.89 O ATOM 39 C3' DC B 2 10.364 3.483 -3.559 1.00 0.91 C ATOM 40 O3' DC B 2 11.695 3.087 -3.908 1.00 1.01 O ATOM 41 C2' DC B 2 9.498 2.269 -3.283 1.00 0.88 C ATOM 42 C1' DC B 2 9.018 2.393 -1.841 1.00 0.87 C ATOM 43 N1 DC B 2 7.552 2.127 -1.748 1.00 0.87 N ATOM 44 C2 DC B 2 7.113 1.007 -1.032 1.00 0.86 C ATOM 45 O2 DC B 2 7.919 0.254 -0.485 1.00 0.86 O ATOM 46 N3 DC B 2 5.780 0.773 -0.960 1.00 0.89 N ATOM 47 C4 DC B 2 4.896 1.581 -1.551 1.00 0.93 C ATOM 48 N4 DC B 2 3.589 1.304 -1.452 1.00 1.00 N ATOM 49 C5 DC B 2 5.332 2.729 -2.286 1.00 0.97 C ATOM 50 C6 DC B 2 6.659 2.963 -2.358 1.00 0.94 C ATOM 0 H5' DC B 2 10.527 6.357 -1.660 1.00 0.96 H new ATOM 0 H5'' DC B 2 10.648 6.102 -3.389 1.00 0.96 H new ATOM 0 H4' DC B 2 11.337 4.221 -1.781 1.00 0.91 H new ATOM 0 H3' DC B 2 9.988 4.069 -4.398 1.00 0.91 H new ATOM 0 H2' DC B 2 8.653 2.232 -3.970 1.00 0.88 H new ATOM 0 H2'' DC B 2 10.065 1.349 -3.425 1.00 0.88 H new ATOM 0 H1' DC B 2 9.510 1.658 -1.204 1.00 0.87 H new ATOM 0 H41 DC B 2 2.903 1.913 -1.899 1.00 1.00 H new ATOM 0 H42 DC B 2 3.280 0.484 -0.930 1.00 1.00 H new ATOM 0 H5 DC B 2 4.623 3.386 -2.767 1.00 0.97 H new ATOM 0 H6 DC B 2 7.020 3.822 -2.905 1.00 0.94 H new ATOM 62 P DA B 3 12.031 2.564 -5.393 1.00 0.77 P ATOM 63 OP1 DA B 3 13.502 2.580 -5.565 1.00 0.93 O ATOM 64 OP2 DA B 3 11.170 3.296 -6.350 1.00 0.87 O ATOM 65 O5' DA B 3 11.544 1.027 -5.350 1.00 0.72 O ATOM 66 C5' DA B 3 12.448 -0.013 -4.967 1.00 0.63 C ATOM 67 C4' DA B 3 11.977 -1.386 -5.455 1.00 0.57 C ATOM 68 O4' DA B 3 10.836 -1.831 -4.692 1.00 0.61 O ATOM 69 C3' DA B 3 11.585 -1.370 -6.937 1.00 0.58 C ATOM 70 O3' DA B 3 12.494 -2.162 -7.708 1.00 0.64 O ATOM 71 C2' DA B 3 10.189 -1.944 -6.998 1.00 0.65 C ATOM 72 C1' DA B 3 9.767 -2.245 -5.569 1.00 0.60 C ATOM 73 N9 DA B 3 8.519 -1.537 -5.237 1.00 0.55 N ATOM 74 C8 DA B 3 8.218 -0.230 -5.304 1.00 0.59 C ATOM 75 N7 DA B 3 7.047 0.176 -4.966 1.00 0.57 N ATOM 76 C5 DA B 3 6.455 -1.047 -4.612 1.00 0.51 C ATOM 77 C6 DA B 3 5.182 -1.392 -4.144 1.00 0.55 C ATOM 78 N6 DA B 3 4.201 -0.510 -3.938 1.00 0.62 N ATOM 79 N1 DA B 3 4.948 -2.689 -3.903 1.00 0.58 N ATOM 80 C2 DA B 3 5.893 -3.603 -4.100 1.00 0.56 C ATOM 81 N3 DA B 3 7.129 -3.398 -4.537 1.00 0.51 N ATOM 82 C4 DA B 3 7.349 -2.093 -4.777 1.00 0.50 C ATOM 0 H5' DA B 3 12.546 -0.027 -3.882 1.00 0.63 H new ATOM 0 H5'' DA B 3 13.437 0.197 -5.374 1.00 0.63 H new ATOM 0 H4' DA B 3 12.817 -2.067 -5.319 1.00 0.57 H new ATOM 0 H3' DA B 3 11.620 -0.362 -7.351 1.00 0.58 H new ATOM 0 H2' DA B 3 9.502 -1.237 -7.462 1.00 0.65 H new ATOM 0 H2'' DA B 3 10.171 -2.850 -7.604 1.00 0.65 H new ATOM 0 H1' DA B 3 9.578 -3.312 -5.451 1.00 0.60 H new ATOM 0 H8 DA B 3 8.959 0.479 -5.642 1.00 0.59 H new ATOM 0 H61 DA B 3 3.294 -0.827 -3.595 1.00 0.62 H new ATOM 0 H62 DA B 3 4.359 0.481 -4.124 1.00 0.62 H new ATOM 0 H2 DA B 3 5.625 -4.626 -3.880 1.00 0.56 H new ATOM 94 P DC B 4 12.477 -2.095 -9.317 1.00 0.72 P ATOM 95 OP1 DC B 4 13.725 -2.713 -9.821 1.00 1.04 O ATOM 96 OP2 DC B 4 12.124 -0.716 -9.717 1.00 0.94 O ATOM 97 O5' DC B 4 11.247 -3.062 -9.701 1.00 0.83 O ATOM 98 C5' DC B 4 11.380 -4.482 -9.604 1.00 0.61 C ATOM 99 C4' DC B 4 10.089 -5.197 -10.012 1.00 0.55 C ATOM 100 O4' DC B 4 9.020 -4.911 -9.091 1.00 0.60 O ATOM 101 C3' DC B 4 9.621 -4.776 -11.411 1.00 0.54 C ATOM 102 O3' DC B 4 9.867 -5.813 -12.365 1.00 0.59 O ATOM 103 C2' DC B 4 8.138 -4.502 -11.279 1.00 0.58 C ATOM 104 C1' DC B 4 7.785 -4.720 -9.813 1.00 0.58 C ATOM 105 N1 DC B 4 7.044 -3.554 -9.273 1.00 0.52 N ATOM 106 C2 DC B 4 5.694 -3.706 -8.967 1.00 0.58 C ATOM 107 O2 DC B 4 5.128 -4.783 -9.145 1.00 0.73 O ATOM 108 N3 DC B 4 5.025 -2.639 -8.476 1.00 0.54 N ATOM 109 C4 DC B 4 5.623 -1.469 -8.282 1.00 0.45 C ATOM 110 N4 DC B 4 4.898 -0.460 -7.793 1.00 0.45 N ATOM 111 C5 DC B 4 7.018 -1.296 -8.591 1.00 0.49 C ATOM 112 C6 DC B 4 7.682 -2.366 -9.085 1.00 0.52 C ATOM 0 H5' DC B 4 11.640 -4.755 -8.581 1.00 0.61 H new ATOM 0 H5'' DC B 4 12.199 -4.816 -10.241 1.00 0.61 H new ATOM 0 H4' DC B 4 10.321 -6.262 -10.005 1.00 0.55 H new ATOM 0 H3' DC B 4 10.160 -3.898 -11.767 1.00 0.54 H new ATOM 0 H2' DC B 4 7.903 -3.483 -11.587 1.00 0.58 H new ATOM 0 H2'' DC B 4 7.562 -5.169 -11.920 1.00 0.58 H new ATOM 0 H1' DC B 4 7.141 -5.593 -9.706 1.00 0.58 H new ATOM 0 H41 DC B 4 5.332 0.449 -7.634 1.00 0.45 H new ATOM 0 H42 DC B 4 3.911 -0.599 -7.578 1.00 0.45 H new ATOM 0 H5 DC B 4 7.515 -0.350 -8.435 1.00 0.49 H new ATOM 0 H6 DC B 4 8.729 -2.277 -9.333 1.00 0.52 H new ATOM 124 P DA B 5 9.840 -5.500 -13.944 1.00 0.62 P ATOM 125 OP1 DA B 5 10.858 -6.351 -14.601 1.00 0.80 O ATOM 126 OP2 DA B 5 9.874 -4.032 -14.128 1.00 0.79 O ATOM 127 O5' DA B 5 8.383 -6.029 -14.381 1.00 0.70 O ATOM 128 C5' DA B 5 8.039 -7.407 -14.224 1.00 0.65 C ATOM 129 C4' DA B 5 6.532 -7.633 -14.331 1.00 0.61 C ATOM 130 O4' DA B 5 5.826 -6.803 -13.372 1.00 0.61 O ATOM 131 C3' DA B 5 6.015 -7.258 -15.722 1.00 0.69 C ATOM 132 O3' DA B 5 7.057 -7.190 -16.703 1.00 0.83 O ATOM 133 C2' DA B 5 5.312 -5.938 -15.528 1.00 0.68 C ATOM 134 C1' DA B 5 4.922 -5.911 -14.066 1.00 0.63 C ATOM 135 N9 DA B 5 4.969 -4.542 -13.518 1.00 0.66 N ATOM 136 C8 DA B 5 5.981 -3.656 -13.439 1.00 0.78 C ATOM 137 N7 DA B 5 5.779 -2.498 -12.917 1.00 0.82 N ATOM 138 C5 DA B 5 4.417 -2.607 -12.589 1.00 0.71 C ATOM 139 C6 DA B 5 3.503 -1.730 -11.987 1.00 0.74 C ATOM 140 N6 DA B 5 3.820 -0.496 -11.587 1.00 0.82 N ATOM 141 N1 DA B 5 2.244 -2.171 -11.820 1.00 0.76 N ATOM 142 C2 DA B 5 1.894 -3.396 -12.216 1.00 0.75 C ATOM 143 N3 DA B 5 2.668 -4.306 -12.792 1.00 0.68 N ATOM 144 C4 DA B 5 3.923 -3.850 -12.953 1.00 0.65 C ATOM 0 H5' DA B 5 8.391 -7.761 -13.255 1.00 0.65 H new ATOM 0 H5'' DA B 5 8.550 -7.998 -14.984 1.00 0.65 H new ATOM 0 H4' DA B 5 6.354 -8.691 -14.136 1.00 0.61 H new ATOM 0 H3' DA B 5 5.343 -8.019 -16.118 1.00 0.69 H new ATOM 0 H2' DA B 5 5.966 -5.102 -15.777 1.00 0.68 H new ATOM 0 H2'' DA B 5 4.436 -5.860 -16.171 1.00 0.68 H new ATOM 0 H1' DA B 5 3.892 -6.242 -13.936 1.00 0.63 H new ATOM 0 H8 DA B 5 6.960 -3.918 -13.813 1.00 0.78 H new ATOM 0 H61 DA B 5 3.112 0.098 -11.155 1.00 0.82 H new ATOM 0 H62 DA B 5 4.770 -0.147 -11.714 1.00 0.82 H new ATOM 0 H2 DA B 5 0.865 -3.678 -12.049 1.00 0.75 H new ATOM 156 P DA B 6 6.851 -6.341 -18.059 1.00 1.04 P ATOM 157 OP1 DA B 6 7.566 -7.040 -19.151 1.00 1.32 O ATOM 158 OP2 DA B 6 7.151 -4.918 -17.782 1.00 1.37 O ATOM 159 O5' DA B 6 5.268 -6.493 -18.321 1.00 1.03 O ATOM 160 C5' DA B 6 4.735 -7.660 -18.947 1.00 1.15 C ATOM 161 C4' DA B 6 3.355 -7.396 -19.555 1.00 0.91 C ATOM 162 O4' DA B 6 2.517 -6.684 -18.619 1.00 0.93 O ATOM 163 C3' DA B 6 3.443 -6.570 -20.844 1.00 0.84 C ATOM 164 O3' DA B 6 2.990 -7.328 -21.964 1.00 0.84 O ATOM 165 C2' DA B 6 2.565 -5.358 -20.620 1.00 0.76 C ATOM 166 C1' DA B 6 2.038 -5.450 -19.192 1.00 0.76 C ATOM 167 N9 DA B 6 2.500 -4.303 -18.393 1.00 0.71 N ATOM 168 C8 DA B 6 3.738 -3.808 -18.222 1.00 0.77 C ATOM 169 N7 DA B 6 3.924 -2.796 -17.461 1.00 0.76 N ATOM 170 C5 DA B 6 2.607 -2.557 -17.041 1.00 0.68 C ATOM 171 C6 DA B 6 2.044 -1.605 -16.193 1.00 0.68 C ATOM 172 N6 DA B 6 2.753 -0.671 -15.572 1.00 0.76 N ATOM 173 N1 DA B 6 0.720 -1.652 -16.000 1.00 0.66 N ATOM 174 C2 DA B 6 -0.022 -2.578 -16.599 1.00 0.62 C ATOM 175 N3 DA B 6 0.398 -3.536 -17.424 1.00 0.61 N ATOM 176 C4 DA B 6 1.734 -3.471 -17.606 1.00 0.65 C ATOM 0 H5' DA B 6 4.662 -8.465 -18.215 1.00 1.15 H new ATOM 0 H5'' DA B 6 5.417 -7.999 -19.727 1.00 1.15 H new ATOM 0 H4' DA B 6 2.926 -8.371 -19.787 1.00 0.91 H new ATOM 0 H3' DA B 6 4.471 -6.280 -21.063 1.00 0.84 H new ATOM 0 H2' DA B 6 3.132 -4.438 -20.764 1.00 0.76 H new ATOM 0 H2'' DA B 6 1.742 -5.340 -21.335 1.00 0.76 H new ATOM 0 H1' DA B 6 0.948 -5.432 -19.196 1.00 0.76 H new ATOM 0 H8 DA B 6 4.576 -4.265 -18.727 1.00 0.77 H new ATOM 0 H61 DA B 6 2.288 0.001 -14.962 1.00 0.76 H new ATOM 0 H62 DA B 6 3.763 -0.625 -15.705 1.00 0.76 H new ATOM 0 H2 DA B 6 -1.082 -2.551 -16.394 1.00 0.62 H new ATOM 188 P DA B 7 3.331 -6.848 -23.460 1.00 0.84 P ATOM 189 OP1 DA B 7 3.010 -7.955 -24.388 1.00 1.08 O ATOM 190 OP2 DA B 7 4.686 -6.253 -23.458 1.00 1.00 O ATOM 191 O5' DA B 7 2.264 -5.669 -23.694 1.00 0.81 O ATOM 192 C5' DA B 7 0.872 -5.968 -23.786 1.00 0.73 C ATOM 193 C4' DA B 7 0.022 -4.703 -23.771 1.00 0.56 C ATOM 194 O4' DA B 7 0.103 -4.024 -22.503 1.00 0.52 O ATOM 195 C3' DA B 7 0.442 -3.710 -24.842 1.00 0.56 C ATOM 196 O3' DA B 7 -0.320 -3.879 -26.039 1.00 0.58 O ATOM 197 C2' DA B 7 0.184 -2.366 -24.220 1.00 0.57 C ATOM 198 C1' DA B 7 -0.005 -2.603 -22.726 1.00 0.52 C ATOM 199 N9 DA B 7 1.003 -1.855 -21.953 1.00 0.50 N ATOM 200 C8 DA B 7 2.340 -1.990 -21.901 1.00 0.56 C ATOM 201 N7 DA B 7 3.033 -1.205 -21.158 1.00 0.57 N ATOM 202 C5 DA B 7 2.012 -0.409 -20.618 1.00 0.51 C ATOM 203 C6 DA B 7 2.016 0.665 -19.721 1.00 0.55 C ATOM 204 N6 DA B 7 3.125 1.158 -19.169 1.00 0.62 N ATOM 205 N1 DA B 7 0.830 1.214 -19.410 1.00 0.57 N ATOM 206 C2 DA B 7 -0.298 0.746 -19.941 1.00 0.52 C ATOM 207 N3 DA B 7 -0.424 -0.263 -20.798 1.00 0.48 N ATOM 208 C4 DA B 7 0.774 -0.801 -21.099 1.00 0.48 C ATOM 0 H5' DA B 7 0.582 -6.611 -22.955 1.00 0.73 H new ATOM 0 H5'' DA B 7 0.679 -6.525 -24.703 1.00 0.73 H new ATOM 0 H4' DA B 7 -0.997 -5.040 -23.961 1.00 0.56 H new ATOM 0 H3' DA B 7 1.482 -3.840 -25.140 1.00 0.56 H new ATOM 0 H2' DA B 7 1.019 -1.689 -24.402 1.00 0.57 H new ATOM 0 H2'' DA B 7 -0.702 -1.903 -24.653 1.00 0.57 H new ATOM 0 H1' DA B 7 -0.980 -2.247 -22.393 1.00 0.52 H new ATOM 0 H8 DA B 7 2.830 -2.757 -22.483 1.00 0.56 H new ATOM 0 H61 DA B 7 3.066 1.943 -18.521 1.00 0.62 H new ATOM 0 H62 DA B 7 4.032 0.750 -19.395 1.00 0.62 H new ATOM 0 H2 DA B 7 -1.211 1.240 -19.643 1.00 0.52 H new ATOM 220 P DC B 8 0.057 -3.053 -27.368 1.00 0.72 P ATOM 221 OP1 DC B 8 -0.360 -3.853 -28.541 1.00 0.82 O ATOM 222 OP2 DC B 8 1.459 -2.595 -27.247 1.00 1.19 O ATOM 223 O5' DC B 8 -0.906 -1.766 -27.267 1.00 0.71 O ATOM 224 C5' DC B 8 -2.309 -1.933 -27.059 1.00 0.78 C ATOM 225 C4' DC B 8 -2.967 -0.663 -26.526 1.00 0.67 C ATOM 226 O4' DC B 8 -2.487 -0.339 -25.207 1.00 0.72 O ATOM 227 C3' DC B 8 -2.711 0.544 -27.420 1.00 0.59 C ATOM 228 O3' DC B 8 -3.808 0.770 -28.309 1.00 0.69 O ATOM 229 C2' DC B 8 -2.536 1.700 -26.464 1.00 0.62 C ATOM 230 C1' DC B 8 -2.319 1.089 -25.083 1.00 0.68 C ATOM 231 N1 DC B 8 -0.957 1.404 -24.592 1.00 0.76 N ATOM 232 C2 DC B 8 -0.796 2.459 -23.703 1.00 0.95 C ATOM 233 O2 DC B 8 -1.764 3.128 -23.346 1.00 1.05 O ATOM 234 N3 DC B 8 0.451 2.724 -23.251 1.00 1.08 N ATOM 235 C4 DC B 8 1.504 1.999 -23.628 1.00 1.04 C ATOM 236 N4 DC B 8 2.713 2.286 -23.131 1.00 1.21 N ATOM 237 C5 DC B 8 1.345 0.911 -24.547 1.00 0.88 C ATOM 238 C6 DC B 8 0.104 0.658 -25.002 1.00 0.76 C ATOM 0 H5' DC B 8 -2.476 -2.749 -26.356 1.00 0.78 H new ATOM 0 H5'' DC B 8 -2.783 -2.219 -27.998 1.00 0.78 H new ATOM 0 H4' DC B 8 -4.036 -0.875 -26.503 1.00 0.67 H new ATOM 0 H3' DC B 8 -1.838 0.404 -28.057 1.00 0.59 H new ATOM 0 H2' DC B 8 -1.686 2.318 -26.753 1.00 0.62 H new ATOM 0 H2'' DC B 8 -3.415 2.345 -26.470 1.00 0.62 H new ATOM 0 HO3' DC B 8 -3.619 1.551 -28.870 1.00 0.69 H new ATOM 0 H1' DC B 8 -3.034 1.497 -24.369 1.00 0.68 H new ATOM 0 H41 DC B 8 3.524 1.736 -23.414 1.00 1.21 H new ATOM 0 H42 DC B 8 2.823 3.054 -22.469 1.00 1.21 H new ATOM 0 H5 DC B 8 2.189 0.316 -24.863 1.00 0.88 H new ATOM 0 H6 DC B 8 -0.052 -0.149 -25.703 1.00 0.76 H new TER 251 DC B 8 ATOM 252 O5' DG C 9 3.921 12.031 -18.564 1.00 1.02 O ATOM 253 C5' DG C 9 3.085 12.960 -19.256 1.00 0.83 C ATOM 254 C4' DG C 9 1.692 12.387 -19.501 1.00 0.71 C ATOM 255 O4' DG C 9 1.731 11.389 -20.554 1.00 0.67 O ATOM 256 C3' DG C 9 1.136 11.717 -18.237 1.00 0.72 C ATOM 257 O3' DG C 9 1.896 12.074 -17.055 1.00 0.81 O ATOM 258 C2' DG C 9 1.147 10.231 -18.554 1.00 0.71 C ATOM 259 C1' DG C 9 1.252 10.117 -20.058 1.00 0.66 C ATOM 260 N9 DG C 9 2.163 9.015 -20.420 1.00 0.66 N ATOM 261 C8 DG C 9 3.501 8.912 -20.310 1.00 0.73 C ATOM 262 N7 DG C 9 4.094 7.834 -20.677 1.00 0.75 N ATOM 263 C5 DG C 9 2.994 7.075 -21.106 1.00 0.68 C ATOM 264 C6 DG C 9 2.940 5.761 -21.642 1.00 0.70 C ATOM 265 O6 DG C 9 3.862 4.972 -21.848 1.00 0.79 O ATOM 266 N1 DG C 9 1.641 5.391 -21.944 1.00 0.66 N ATOM 267 C2 DG C 9 0.518 6.170 -21.754 1.00 0.61 C ATOM 268 N2 DG C 9 -0.647 5.622 -22.106 1.00 0.66 N ATOM 269 N3 DG C 9 0.551 7.404 -21.250 1.00 0.59 N ATOM 270 C4 DG C 9 1.808 7.797 -20.949 1.00 0.62 C ATOM 0 H5' DG C 9 3.544 13.223 -20.209 1.00 0.83 H new ATOM 0 H5'' DG C 9 3.004 13.880 -18.676 1.00 0.83 H new ATOM 0 H4' DG C 9 1.050 13.220 -19.788 1.00 0.71 H new ATOM 0 H3' DG C 9 0.127 12.050 -17.992 1.00 0.72 H new ATOM 0 H2' DG C 9 1.987 9.736 -18.067 1.00 0.71 H new ATOM 0 H2'' DG C 9 0.239 9.749 -18.190 1.00 0.71 H new ATOM 0 HO5' DG C 9 3.651 11.986 -17.623 1.00 1.02 H new ATOM 0 H1' DG C 9 0.285 9.889 -20.505 1.00 0.66 H new ATOM 0 H8 DG C 9 4.075 9.736 -19.913 1.00 0.73 H new ATOM 0 H1 DG C 9 1.502 4.462 -22.341 1.00 0.66 H new ATOM 0 H21 DG C 9 -1.514 6.147 -21.990 1.00 0.66 H new ATOM 0 H22 DG C 9 -0.671 4.678 -22.491 1.00 0.66 H new ATOM 283 P DT C 10 2.382 11.008 -15.934 1.00 0.99 P ATOM 284 OP1 DT C 10 2.398 11.696 -14.625 1.00 1.32 O ATOM 285 OP2 DT C 10 3.611 10.349 -16.429 1.00 1.44 O ATOM 286 O5' DT C 10 1.200 9.911 -15.906 1.00 0.87 O ATOM 287 C5' DT C 10 -0.116 10.253 -15.477 1.00 0.92 C ATOM 288 C4' DT C 10 -1.065 9.048 -15.551 1.00 0.75 C ATOM 289 O4' DT C 10 -0.838 8.262 -16.745 1.00 0.70 O ATOM 290 C3' DT C 10 -0.902 8.116 -14.357 1.00 0.71 C ATOM 291 O3' DT C 10 -1.919 8.358 -13.387 1.00 0.74 O ATOM 292 C2' DT C 10 -0.999 6.716 -14.926 1.00 0.63 C ATOM 293 C1' DT C 10 -0.971 6.854 -16.445 1.00 0.61 C ATOM 294 N1 DT C 10 0.169 6.078 -17.001 1.00 0.59 N ATOM 295 C2 DT C 10 -0.088 4.838 -17.576 1.00 0.55 C ATOM 296 O2 DT C 10 -1.223 4.374 -17.661 1.00 0.53 O ATOM 297 N3 DT C 10 1.014 4.146 -18.046 1.00 0.58 N ATOM 298 C4 DT C 10 2.328 4.576 -17.995 1.00 0.62 C ATOM 299 O4 DT C 10 3.234 3.877 -18.443 1.00 0.66 O ATOM 300 C5 DT C 10 2.498 5.877 -17.383 1.00 0.65 C ATOM 301 C7 DT C 10 3.895 6.480 -17.263 1.00 0.74 C ATOM 302 C6 DT C 10 1.441 6.571 -16.916 1.00 0.64 C ATOM 0 H5' DT C 10 -0.503 11.061 -16.098 1.00 0.92 H new ATOM 0 H5'' DT C 10 -0.080 10.627 -14.454 1.00 0.92 H new ATOM 0 H4' DT C 10 -2.070 9.470 -15.559 1.00 0.75 H new ATOM 0 H3' DT C 10 0.047 8.269 -13.843 1.00 0.71 H new ATOM 0 H2' DT C 10 -0.170 6.099 -14.579 1.00 0.63 H new ATOM 0 H2'' DT C 10 -1.918 6.229 -14.599 1.00 0.63 H new ATOM 0 H1' DT C 10 -1.883 6.462 -16.895 1.00 0.61 H new ATOM 0 H3 DT C 10 0.842 3.234 -18.469 1.00 0.58 H new ATOM 0 H71 DT C 10 3.826 7.567 -17.300 1.00 0.74 H new ATOM 0 H72 DT C 10 4.342 6.177 -16.316 1.00 0.74 H new ATOM 0 H73 DT C 10 4.516 6.127 -18.087 1.00 0.74 H new ATOM 0 H6 DT C 10 1.603 7.539 -16.464 1.00 0.64 H new ATOM 315 P DT C 11 -1.893 7.594 -11.976 1.00 0.79 P ATOM 316 OP1 DT C 11 -2.763 8.329 -11.034 1.00 0.93 O ATOM 317 OP2 DT C 11 -0.482 7.315 -11.622 1.00 0.89 O ATOM 318 O5' DT C 11 -2.608 6.206 -12.339 1.00 0.70 O ATOM 319 C5' DT C 11 -3.962 6.193 -12.792 1.00 0.67 C ATOM 320 C4' DT C 11 -4.488 4.769 -12.965 1.00 0.62 C ATOM 321 O4' DT C 11 -3.914 4.125 -14.122 1.00 0.59 O ATOM 322 C3' DT C 11 -4.181 3.896 -11.754 1.00 0.66 C ATOM 323 O3' DT C 11 -5.291 3.867 -10.852 1.00 0.74 O ATOM 324 C2' DT C 11 -3.894 2.531 -12.333 1.00 0.63 C ATOM 325 C1' DT C 11 -3.594 2.747 -13.815 1.00 0.58 C ATOM 326 N1 DT C 11 -2.155 2.483 -14.087 1.00 0.58 N ATOM 327 C2 DT C 11 -1.804 1.378 -14.857 1.00 0.57 C ATOM 328 O2 DT C 11 -2.641 0.610 -15.330 1.00 0.56 O ATOM 329 N3 DT C 11 -0.449 1.190 -15.065 1.00 0.61 N ATOM 330 C4 DT C 11 0.568 1.995 -14.582 1.00 0.67 C ATOM 331 O4 DT C 11 1.741 1.748 -14.839 1.00 0.73 O ATOM 332 C5 DT C 11 0.113 3.113 -13.794 1.00 0.68 C ATOM 333 C7 DT C 11 1.154 4.059 -13.190 1.00 0.78 C ATOM 334 C6 DT C 11 -1.205 3.321 -13.575 1.00 0.64 C ATOM 0 H5' DT C 11 -4.033 6.725 -13.741 1.00 0.67 H new ATOM 0 H5'' DT C 11 -4.589 6.728 -12.079 1.00 0.67 H new ATOM 0 H4' DT C 11 -5.567 4.868 -13.086 1.00 0.62 H new ATOM 0 H3' DT C 11 -3.341 4.271 -11.170 1.00 0.66 H new ATOM 0 H2' DT C 11 -3.047 2.065 -11.829 1.00 0.63 H new ATOM 0 H2'' DT C 11 -4.748 1.866 -12.202 1.00 0.63 H new ATOM 0 H1' DT C 11 -4.183 2.068 -14.432 1.00 0.58 H new ATOM 0 H3 DT C 11 -0.174 0.384 -15.626 1.00 0.61 H new ATOM 0 H71 DT C 11 2.072 3.507 -12.986 1.00 0.78 H new ATOM 0 H72 DT C 11 1.364 4.865 -13.893 1.00 0.78 H new ATOM 0 H73 DT C 11 0.768 4.479 -12.261 1.00 0.78 H new ATOM 0 H6 DT C 11 -1.514 4.169 -12.982 1.00 0.64 H new ATOM 347 P DT C 12 -5.105 4.113 -9.265 1.00 0.82 P ATOM 348 OP1 DT C 12 -6.200 4.997 -8.806 1.00 1.02 O ATOM 349 OP2 DT C 12 -3.699 4.484 -8.987 1.00 0.86 O ATOM 350 O5' DT C 12 -5.362 2.643 -8.662 1.00 0.86 O ATOM 351 C5' DT C 12 -6.416 1.815 -9.164 1.00 0.73 C ATOM 352 C4' DT C 12 -5.916 0.404 -9.482 1.00 0.66 C ATOM 353 O4' DT C 12 -4.753 0.442 -10.336 1.00 0.61 O ATOM 354 C3' DT C 12 -5.541 -0.369 -8.217 1.00 0.79 C ATOM 355 O3' DT C 12 -6.502 -1.398 -7.964 1.00 0.94 O ATOM 356 C2' DT C 12 -4.168 -0.957 -8.493 1.00 0.78 C ATOM 357 C1' DT C 12 -3.809 -0.569 -9.926 1.00 0.66 C ATOM 358 N1 DT C 12 -2.405 -0.061 -10.020 1.00 0.64 N ATOM 359 C2 DT C 12 -1.466 -0.821 -10.722 1.00 0.62 C ATOM 360 O2 DT C 12 -1.747 -1.892 -11.250 1.00 0.62 O ATOM 361 N3 DT C 12 -0.185 -0.301 -10.788 1.00 0.67 N ATOM 362 C4 DT C 12 0.243 0.888 -10.230 1.00 0.72 C ATOM 363 O4 DT C 12 1.415 1.250 -10.353 1.00 0.78 O ATOM 364 C5 DT C 12 -0.792 1.611 -9.519 1.00 0.74 C ATOM 365 C7 DT C 12 -0.446 2.942 -8.845 1.00 0.86 C ATOM 366 C6 DT C 12 -2.054 1.129 -9.438 1.00 0.71 C ATOM 0 H5' DT C 12 -6.837 2.265 -10.063 1.00 0.73 H new ATOM 0 H5'' DT C 12 -7.219 1.761 -8.429 1.00 0.73 H new ATOM 0 H4' DT C 12 -6.740 -0.100 -9.987 1.00 0.66 H new ATOM 0 H3' DT C 12 -5.527 0.269 -7.333 1.00 0.79 H new ATOM 0 H2' DT C 12 -3.431 -0.568 -7.790 1.00 0.78 H new ATOM 0 H2'' DT C 12 -4.180 -2.041 -8.376 1.00 0.78 H new ATOM 0 H1' DT C 12 -3.863 -1.439 -10.580 1.00 0.66 H new ATOM 0 H3 DT C 12 0.509 -0.848 -11.297 1.00 0.67 H new ATOM 0 H71 DT C 12 0.599 2.932 -8.534 1.00 0.86 H new ATOM 0 H72 DT C 12 -0.607 3.759 -9.548 1.00 0.86 H new ATOM 0 H73 DT C 12 -1.083 3.084 -7.972 1.00 0.86 H new ATOM 0 H6 DT C 12 -2.802 1.695 -8.902 1.00 0.71 H new ATOM 379 P DG C 13 -6.824 -1.891 -6.464 1.00 0.64 P ATOM 380 OP1 DG C 13 -8.202 -2.430 -6.442 1.00 1.29 O ATOM 381 OP2 DG C 13 -6.437 -0.821 -5.516 1.00 0.78 O ATOM 382 O5' DG C 13 -5.804 -3.117 -6.281 1.00 0.91 O ATOM 383 C5' DG C 13 -6.083 -4.388 -6.872 1.00 0.77 C ATOM 384 C4' DG C 13 -4.990 -5.400 -6.543 1.00 0.59 C ATOM 385 O4' DG C 13 -3.776 -5.083 -7.265 1.00 0.50 O ATOM 386 C3' DG C 13 -4.663 -5.422 -5.044 1.00 0.60 C ATOM 387 O3' DG C 13 -5.038 -6.669 -4.456 1.00 0.69 O ATOM 388 C2' DG C 13 -3.168 -5.209 -4.951 1.00 0.50 C ATOM 389 C1' DG C 13 -2.640 -5.107 -6.376 1.00 0.41 C ATOM 390 N9 DG C 13 -1.810 -3.895 -6.530 1.00 0.34 N ATOM 391 C8 DG C 13 -2.110 -2.605 -6.310 1.00 0.35 C ATOM 392 N7 DG C 13 -1.216 -1.696 -6.474 1.00 0.37 N ATOM 393 C5 DG C 13 -0.125 -2.487 -6.871 1.00 0.32 C ATOM 394 C6 DG C 13 1.205 -2.110 -7.214 1.00 0.35 C ATOM 395 O6 DG C 13 1.714 -0.985 -7.239 1.00 0.41 O ATOM 396 N1 DG C 13 1.969 -3.215 -7.549 1.00 0.38 N ATOM 397 C2 DG C 13 1.530 -4.525 -7.561 1.00 0.43 C ATOM 398 N2 DG C 13 2.429 -5.444 -7.915 1.00 0.54 N ATOM 399 N3 DG C 13 0.288 -4.893 -7.241 1.00 0.42 N ATOM 400 C4 DG C 13 -0.486 -3.837 -6.908 1.00 0.34 C ATOM 0 H5' DG C 13 -6.168 -4.279 -7.953 1.00 0.77 H new ATOM 0 H5'' DG C 13 -7.044 -4.756 -6.512 1.00 0.77 H new ATOM 0 H4' DG C 13 -5.368 -6.379 -6.839 1.00 0.59 H new ATOM 0 H3' DG C 13 -5.213 -4.652 -4.503 1.00 0.60 H new ATOM 0 H2' DG C 13 -2.942 -4.302 -4.391 1.00 0.50 H new ATOM 0 H2'' DG C 13 -2.693 -6.036 -4.423 1.00 0.50 H new ATOM 0 H1' DG C 13 -2.006 -5.961 -6.614 1.00 0.41 H new ATOM 0 H8 DG C 13 -3.106 -2.330 -5.994 1.00 0.35 H new ATOM 0 H1 DG C 13 2.941 -3.047 -7.810 1.00 0.38 H new ATOM 0 H21 DG C 13 2.167 -6.429 -7.944 1.00 0.54 H new ATOM 0 H22 DG C 13 3.379 -5.162 -8.157 1.00 0.54 H new ATOM 412 P DT C 14 -5.033 -6.847 -2.855 1.00 0.72 P ATOM 413 OP1 DT C 14 -5.928 -7.974 -2.511 1.00 0.89 O ATOM 414 OP2 DT C 14 -5.251 -5.517 -2.242 1.00 0.83 O ATOM 415 O5' DT C 14 -3.516 -7.297 -2.561 1.00 0.64 O ATOM 416 C5' DT C 14 -2.973 -8.457 -3.196 1.00 0.73 C ATOM 417 C4' DT C 14 -1.449 -8.519 -3.064 1.00 0.67 C ATOM 418 O4' DT C 14 -0.812 -7.467 -3.820 1.00 0.57 O ATOM 419 C3' DT C 14 -0.984 -8.383 -1.614 1.00 0.68 C ATOM 420 O3' DT C 14 -0.646 -9.659 -1.065 1.00 0.78 O ATOM 421 C2' DT C 14 0.229 -7.473 -1.672 1.00 0.59 C ATOM 422 C1' DT C 14 0.379 -7.038 -3.127 1.00 0.52 C ATOM 423 N1 DT C 14 0.565 -5.561 -3.215 1.00 0.44 N ATOM 424 C2 DT C 14 1.823 -5.070 -3.544 1.00 0.46 C ATOM 425 O2 DT C 14 2.779 -5.807 -3.778 1.00 0.55 O ATOM 426 N3 DT C 14 1.946 -3.697 -3.597 1.00 0.46 N ATOM 427 C4 DT C 14 0.949 -2.775 -3.358 1.00 0.42 C ATOM 428 O4 DT C 14 1.185 -1.569 -3.433 1.00 0.48 O ATOM 429 C5 DT C 14 -0.327 -3.367 -3.024 1.00 0.40 C ATOM 430 C7 DT C 14 -1.517 -2.456 -2.732 1.00 0.47 C ATOM 431 C6 DT C 14 -0.478 -4.711 -2.963 1.00 0.42 C ATOM 0 H5' DT C 14 -3.246 -8.455 -4.251 1.00 0.73 H new ATOM 0 H5'' DT C 14 -3.412 -9.352 -2.755 1.00 0.73 H new ATOM 0 H4' DT C 14 -1.164 -9.498 -3.450 1.00 0.67 H new ATOM 0 H3' DT C 14 -1.764 -7.976 -0.971 1.00 0.68 H new ATOM 0 H2' DT C 14 0.096 -6.609 -1.021 1.00 0.59 H new ATOM 0 H2'' DT C 14 1.122 -7.996 -1.330 1.00 0.59 H new ATOM 0 H1' DT C 14 1.260 -7.488 -3.584 1.00 0.52 H new ATOM 0 H3 DT C 14 2.866 -3.327 -3.837 1.00 0.46 H new ATOM 0 H71 DT C 14 -1.161 -1.518 -2.305 1.00 0.47 H new ATOM 0 H72 DT C 14 -2.055 -2.252 -3.658 1.00 0.47 H new ATOM 0 H73 DT C 14 -2.185 -2.946 -2.024 1.00 0.47 H new ATOM 0 H6 DT C 14 -1.444 -5.122 -2.710 1.00 0.42 H new ATOM 444 P DG C 15 -0.554 -9.860 0.527 1.00 0.87 P ATOM 445 OP1 DG C 15 -0.342 -11.299 0.802 1.00 1.08 O ATOM 446 OP2 DG C 15 -1.693 -9.149 1.151 1.00 0.86 O ATOM 447 O5' DG C 15 0.798 -9.068 0.897 1.00 0.88 O ATOM 448 C5' DG C 15 2.045 -9.762 0.956 1.00 0.69 C ATOM 449 C4' DG C 15 3.114 -8.976 1.717 1.00 0.60 C ATOM 450 O4' DG C 15 3.625 -7.892 0.910 1.00 0.61 O ATOM 451 C3' DG C 15 2.589 -8.375 3.023 1.00 0.71 C ATOM 452 O3' DG C 15 2.955 -9.168 4.151 1.00 0.79 O ATOM 453 C2' DG C 15 3.219 -7.007 3.101 1.00 0.75 C ATOM 454 C1' DG C 15 3.797 -6.709 1.721 1.00 0.63 C ATOM 455 N9 DG C 15 3.111 -5.551 1.119 1.00 0.69 N ATOM 456 C8 DG C 15 1.809 -5.362 0.842 1.00 0.74 C ATOM 457 N7 DG C 15 1.414 -4.253 0.334 1.00 0.84 N ATOM 458 C5 DG C 15 2.635 -3.567 0.246 1.00 0.86 C ATOM 459 C6 DG C 15 2.915 -2.261 -0.238 1.00 0.98 C ATOM 460 O6 DG C 15 2.136 -1.422 -0.688 1.00 1.08 O ATOM 461 N1 DG C 15 4.265 -1.969 -0.150 1.00 0.98 N ATOM 462 C2 DG C 15 5.240 -2.813 0.339 1.00 0.89 C ATOM 463 N2 DG C 15 6.486 -2.333 0.339 1.00 0.96 N ATOM 464 N3 DG C 15 4.994 -4.043 0.799 1.00 0.78 N ATOM 465 C4 DG C 15 3.681 -4.359 0.725 1.00 0.77 C ATOM 0 H5' DG C 15 2.396 -9.960 -0.057 1.00 0.69 H new ATOM 0 H5'' DG C 15 1.897 -10.729 1.437 1.00 0.69 H new ATOM 0 H4' DG C 15 3.900 -9.695 1.949 1.00 0.60 H new ATOM 0 H3' DG C 15 1.500 -8.331 3.035 1.00 0.71 H new ATOM 0 H2' DG C 15 2.480 -6.256 3.381 1.00 0.75 H new ATOM 0 H2'' DG C 15 4.000 -6.984 3.861 1.00 0.75 H new ATOM 0 H1' DG C 15 4.855 -6.458 1.793 1.00 0.63 H new ATOM 0 H8 DG C 15 1.095 -6.146 1.048 1.00 0.74 H new ATOM 0 H1 DG C 15 4.565 -1.050 -0.475 1.00 0.98 H new ATOM 0 H21 DG C 15 7.254 -2.907 0.688 1.00 0.96 H new ATOM 0 H22 DG C 15 6.670 -1.392 -0.010 1.00 0.96 H new ATOM 477 P DC C 16 2.280 -8.884 5.583 1.00 0.89 P ATOM 478 OP1 DC C 16 2.546 -10.047 6.460 1.00 1.41 O ATOM 479 OP2 DC C 16 0.888 -8.433 5.358 1.00 1.13 O ATOM 480 O5' DC C 16 3.132 -7.635 6.136 1.00 0.88 O ATOM 481 C5' DC C 16 4.102 -7.830 7.167 1.00 1.10 C ATOM 482 C4' DC C 16 5.001 -6.593 7.355 1.00 0.86 C ATOM 483 O4' DC C 16 5.177 -5.877 6.113 1.00 0.71 O ATOM 484 C3' DC C 16 4.427 -5.604 8.372 1.00 0.96 C ATOM 485 O3' DC C 16 5.027 -5.776 9.657 1.00 1.05 O ATOM 486 C2' DC C 16 4.732 -4.235 7.806 1.00 0.90 C ATOM 487 C1' DC C 16 5.147 -4.449 6.352 1.00 0.72 C ATOM 488 N1 DC C 16 4.176 -3.787 5.440 1.00 0.72 N ATOM 489 C2 DC C 16 4.515 -2.555 4.879 1.00 0.78 C ATOM 490 O2 DC C 16 5.595 -2.023 5.131 1.00 0.81 O ATOM 491 N3 DC C 16 3.616 -1.961 4.053 1.00 0.91 N ATOM 492 C4 DC C 16 2.440 -2.529 3.777 1.00 0.93 C ATOM 493 N4 DC C 16 1.593 -1.907 2.952 1.00 1.09 N ATOM 494 C5 DC C 16 2.084 -3.790 4.349 1.00 0.88 C ATOM 495 C6 DC C 16 2.975 -4.380 5.169 1.00 0.82 C ATOM 0 H5' DC C 16 4.720 -8.694 6.924 1.00 1.10 H new ATOM 0 H5'' DC C 16 3.594 -8.055 8.105 1.00 1.10 H new ATOM 0 H4' DC C 16 5.954 -6.979 7.716 1.00 0.86 H new ATOM 0 H3' DC C 16 3.358 -5.753 8.521 1.00 0.96 H new ATOM 0 H2' DC C 16 3.858 -3.586 7.868 1.00 0.90 H new ATOM 0 H2'' DC C 16 5.530 -3.751 8.370 1.00 0.90 H new ATOM 0 HO3' DC C 16 4.643 -5.130 10.286 1.00 1.05 H new ATOM 0 H1' DC C 16 6.128 -4.014 6.163 1.00 0.72 H new ATOM 0 H41 DC C 16 0.691 -2.330 2.733 1.00 1.09 H new ATOM 0 H42 DC C 16 1.848 -1.009 2.541 1.00 1.09 H new ATOM 0 H5 DC C 16 1.133 -4.254 4.131 1.00 0.88 H new ATOM 0 H6 DC C 16 2.737 -5.333 5.618 1.00 0.82 H new TER 508 DC C 16 ATOM 509 N ASP A 3 18.755 -11.134 -7.075 1.00 1.33 N ATOM 510 CA ASP A 3 18.416 -9.885 -6.336 1.00 1.28 C ATOM 511 C ASP A 3 16.900 -9.790 -6.170 1.00 1.18 C ATOM 512 O ASP A 3 16.339 -10.263 -5.203 1.00 1.45 O ATOM 513 CB ASP A 3 18.927 -8.675 -7.122 1.00 1.47 C ATOM 514 CG ASP A 3 20.447 -8.767 -7.257 1.00 1.59 C ATOM 515 OD1 ASP A 3 20.926 -9.824 -7.637 1.00 1.66 O ATOM 516 OD2 ASP A 3 21.108 -7.781 -6.974 1.00 1.70 O ATOM 0 HA ASP A 3 18.886 -9.901 -5.353 1.00 1.28 H new ATOM 0 HB2 ASP A 3 18.464 -8.645 -8.108 1.00 1.47 H new ATOM 0 HB3 ASP A 3 18.651 -7.752 -6.612 1.00 1.47 H new ATOM 521 N ARG A 4 16.231 -9.185 -7.109 1.00 0.95 N ATOM 522 CA ARG A 4 14.751 -9.059 -7.011 1.00 0.88 C ATOM 523 C ARG A 4 14.103 -10.395 -7.375 1.00 0.78 C ATOM 524 O ARG A 4 14.494 -11.046 -8.325 1.00 1.26 O ATOM 525 CB ARG A 4 14.281 -7.968 -7.979 1.00 0.89 C ATOM 526 CG ARG A 4 14.784 -6.596 -7.478 1.00 0.97 C ATOM 527 CD ARG A 4 14.806 -5.543 -8.619 1.00 1.10 C ATOM 528 NE ARG A 4 16.160 -4.895 -8.699 1.00 1.20 N ATOM 529 CZ ARG A 4 16.771 -4.443 -7.630 1.00 1.28 C ATOM 530 NH1 ARG A 4 16.186 -4.483 -6.463 1.00 1.29 N ATOM 531 NH2 ARG A 4 17.968 -3.933 -7.736 1.00 1.51 N ATOM 0 H ARG A 4 16.646 -8.771 -7.943 1.00 0.95 H new ATOM 0 HA ARG A 4 14.464 -8.791 -5.994 1.00 0.88 H new ATOM 0 HB2 ARG A 4 14.662 -8.165 -8.981 1.00 0.89 H new ATOM 0 HB3 ARG A 4 13.193 -7.968 -8.046 1.00 0.89 H new ATOM 0 HG2 ARG A 4 14.141 -6.245 -6.671 1.00 0.97 H new ATOM 0 HG3 ARG A 4 15.786 -6.705 -7.063 1.00 0.97 H new ATOM 0 HD2 ARG A 4 14.566 -6.020 -9.569 1.00 1.10 H new ATOM 0 HD3 ARG A 4 14.042 -4.786 -8.441 1.00 1.10 H new ATOM 0 HE ARG A 4 16.615 -4.805 -9.607 1.00 1.20 H new ATOM 0 HH11 ARG A 4 15.246 -4.868 -6.377 1.00 1.29 H new ATOM 0 HH12 ARG A 4 16.670 -4.129 -5.638 1.00 1.29 H new ATOM 0 HH21 ARG A 4 18.424 -3.887 -8.647 1.00 1.51 H new ATOM 0 HH22 ARG A 4 18.447 -3.580 -6.908 1.00 1.51 H new ATOM 545 N VAL A 5 13.114 -10.809 -6.629 1.00 0.63 N ATOM 546 CA VAL A 5 12.439 -12.102 -6.931 1.00 0.53 C ATOM 547 C VAL A 5 11.418 -11.878 -8.038 1.00 0.53 C ATOM 548 O VAL A 5 10.660 -10.931 -8.020 1.00 1.05 O ATOM 549 CB VAL A 5 11.737 -12.621 -5.672 1.00 0.70 C ATOM 550 CG1 VAL A 5 11.059 -13.959 -5.974 1.00 0.80 C ATOM 551 CG2 VAL A 5 12.768 -12.820 -4.557 1.00 0.88 C ATOM 0 H VAL A 5 12.745 -10.306 -5.822 1.00 0.63 H new ATOM 0 HA VAL A 5 13.175 -12.838 -7.255 1.00 0.53 H new ATOM 0 HB VAL A 5 10.987 -11.896 -5.355 1.00 0.70 H new ATOM 0 HG11 VAL A 5 10.561 -14.325 -5.076 1.00 0.80 H new ATOM 0 HG12 VAL A 5 10.324 -13.824 -6.767 1.00 0.80 H new ATOM 0 HG13 VAL A 5 11.809 -14.683 -6.294 1.00 0.80 H new ATOM 0 HG21 VAL A 5 12.269 -13.189 -3.661 1.00 0.88 H new ATOM 0 HG22 VAL A 5 13.517 -13.543 -4.879 1.00 0.88 H new ATOM 0 HG23 VAL A 5 13.253 -11.869 -4.336 1.00 0.88 H new ATOM 561 N LYS A 6 11.414 -12.740 -9.010 1.00 0.44 N ATOM 562 CA LYS A 6 10.467 -12.592 -10.146 1.00 0.41 C ATOM 563 C LYS A 6 9.062 -13.077 -9.746 1.00 0.42 C ATOM 564 O LYS A 6 8.903 -13.944 -8.912 1.00 0.56 O ATOM 565 CB LYS A 6 11.016 -13.385 -11.356 1.00 0.44 C ATOM 566 CG LYS A 6 10.594 -14.872 -11.334 1.00 0.55 C ATOM 567 CD LYS A 6 11.133 -15.584 -10.085 1.00 0.75 C ATOM 568 CE LYS A 6 10.418 -16.925 -9.914 1.00 0.68 C ATOM 569 NZ LYS A 6 10.245 -17.570 -11.246 1.00 0.94 N ATOM 0 H LYS A 6 12.032 -13.549 -9.068 1.00 0.44 H new ATOM 0 HA LYS A 6 10.377 -11.541 -10.421 1.00 0.41 H new ATOM 0 HB2 LYS A 6 10.662 -12.924 -12.278 1.00 0.44 H new ATOM 0 HB3 LYS A 6 12.104 -13.320 -11.365 1.00 0.44 H new ATOM 0 HG2 LYS A 6 9.507 -14.944 -11.356 1.00 0.55 H new ATOM 0 HG3 LYS A 6 10.965 -15.371 -12.229 1.00 0.55 H new ATOM 0 HD2 LYS A 6 12.207 -15.742 -10.179 1.00 0.75 H new ATOM 0 HD3 LYS A 6 10.978 -14.962 -9.203 1.00 0.75 H new ATOM 0 HE2 LYS A 6 10.994 -17.575 -9.256 1.00 0.68 H new ATOM 0 HE3 LYS A 6 9.447 -16.774 -9.443 1.00 0.68 H new ATOM 0 HZ1 LYS A 6 10.065 -18.586 -11.119 1.00 0.94 H new ATOM 0 HZ2 LYS A 6 9.440 -17.135 -11.740 1.00 0.94 H new ATOM 0 HZ3 LYS A 6 11.109 -17.440 -11.810 1.00 0.94 H new ATOM 583 N ARG A 7 8.042 -12.521 -10.350 1.00 0.42 N ATOM 584 CA ARG A 7 6.640 -12.942 -10.036 1.00 0.45 C ATOM 585 C ARG A 7 5.771 -12.735 -11.297 1.00 0.45 C ATOM 586 O ARG A 7 6.008 -11.797 -12.032 1.00 0.49 O ATOM 587 CB ARG A 7 6.086 -12.093 -8.876 1.00 0.50 C ATOM 588 CG ARG A 7 6.572 -10.635 -9.003 1.00 0.54 C ATOM 589 CD ARG A 7 8.001 -10.471 -8.434 1.00 0.56 C ATOM 590 NE ARG A 7 8.103 -9.159 -7.727 1.00 0.56 N ATOM 591 CZ ARG A 7 7.727 -8.061 -8.314 1.00 0.60 C ATOM 592 NH1 ARG A 7 7.420 -8.078 -9.582 1.00 0.64 N ATOM 593 NH2 ARG A 7 7.713 -6.940 -7.648 1.00 0.69 N ATOM 0 H ARG A 7 8.120 -11.787 -11.054 1.00 0.42 H new ATOM 0 HA ARG A 7 6.624 -13.991 -9.740 1.00 0.45 H new ATOM 0 HB2 ARG A 7 4.996 -12.123 -8.882 1.00 0.50 H new ATOM 0 HB3 ARG A 7 6.411 -12.510 -7.923 1.00 0.50 H new ATOM 0 HG2 ARG A 7 6.558 -10.334 -10.051 1.00 0.54 H new ATOM 0 HG3 ARG A 7 5.888 -9.973 -8.472 1.00 0.54 H new ATOM 0 HD2 ARG A 7 8.227 -11.286 -7.747 1.00 0.56 H new ATOM 0 HD3 ARG A 7 8.734 -10.521 -9.240 1.00 0.56 H new ATOM 0 HE ARG A 7 8.471 -9.124 -6.776 1.00 0.56 H new ATOM 0 HH11 ARG A 7 7.475 -8.950 -10.108 1.00 0.64 H new ATOM 0 HH12 ARG A 7 7.125 -7.219 -10.047 1.00 0.64 H new ATOM 0 HH21 ARG A 7 7.997 -6.925 -6.668 1.00 0.69 H new ATOM 0 HH22 ARG A 7 7.418 -6.078 -8.107 1.00 0.69 H new ATOM 607 N PRO A 8 4.790 -13.597 -11.534 1.00 0.47 N ATOM 608 CA PRO A 8 3.922 -13.459 -12.725 1.00 0.50 C ATOM 609 C PRO A 8 3.120 -12.150 -12.660 1.00 0.52 C ATOM 610 O PRO A 8 3.390 -11.276 -11.860 1.00 0.56 O ATOM 611 CB PRO A 8 2.982 -14.686 -12.676 1.00 0.54 C ATOM 612 CG PRO A 8 3.205 -15.385 -11.308 1.00 0.57 C ATOM 613 CD PRO A 8 4.461 -14.754 -10.669 1.00 0.52 C ATOM 0 HA PRO A 8 4.495 -13.422 -13.652 1.00 0.50 H new ATOM 0 HB2 PRO A 8 1.942 -14.378 -12.785 1.00 0.54 H new ATOM 0 HB3 PRO A 8 3.200 -15.370 -13.497 1.00 0.54 H new ATOM 0 HG2 PRO A 8 2.337 -15.251 -10.662 1.00 0.57 H new ATOM 0 HG3 PRO A 8 3.340 -16.458 -11.442 1.00 0.57 H new ATOM 0 HD2 PRO A 8 4.266 -14.438 -9.644 1.00 0.52 H new ATOM 0 HD3 PRO A 8 5.285 -15.466 -10.632 1.00 0.52 H new ATOM 621 N MET A 9 2.133 -12.023 -13.507 1.00 0.57 N ATOM 622 CA MET A 9 1.293 -10.785 -13.522 1.00 0.60 C ATOM 623 C MET A 9 0.455 -10.702 -12.241 1.00 0.53 C ATOM 624 O MET A 9 0.373 -11.643 -11.476 1.00 0.61 O ATOM 625 CB MET A 9 0.363 -10.823 -14.737 1.00 0.71 C ATOM 626 CG MET A 9 1.144 -11.300 -15.964 1.00 1.04 C ATOM 627 SD MET A 9 2.650 -10.311 -16.143 1.00 1.82 S ATOM 628 CE MET A 9 3.195 -10.997 -17.726 1.00 2.26 C ATOM 0 H MET A 9 1.869 -12.728 -14.195 1.00 0.57 H new ATOM 0 HA MET A 9 1.942 -9.911 -13.579 1.00 0.60 H new ATOM 0 HB2 MET A 9 -0.476 -11.491 -14.545 1.00 0.71 H new ATOM 0 HB3 MET A 9 -0.054 -9.833 -14.920 1.00 0.71 H new ATOM 0 HG2 MET A 9 1.399 -12.354 -15.859 1.00 1.04 H new ATOM 0 HG3 MET A 9 0.528 -11.209 -16.859 1.00 1.04 H new ATOM 0 HE1 MET A 9 4.241 -10.741 -17.892 1.00 2.26 H new ATOM 0 HE2 MET A 9 3.085 -12.081 -17.710 1.00 2.26 H new ATOM 0 HE3 MET A 9 2.588 -10.582 -18.531 1.00 2.26 H new ATOM 638 N ASN A 10 -0.177 -9.578 -12.013 1.00 0.52 N ATOM 639 CA ASN A 10 -1.031 -9.407 -10.797 1.00 0.51 C ATOM 640 C ASN A 10 -2.503 -9.510 -11.212 1.00 0.42 C ATOM 641 O ASN A 10 -2.855 -9.188 -12.331 1.00 0.49 O ATOM 642 CB ASN A 10 -0.768 -8.024 -10.185 1.00 0.61 C ATOM 643 CG ASN A 10 0.724 -7.701 -10.269 1.00 0.64 C ATOM 644 OD1 ASN A 10 1.109 -6.548 -10.269 1.00 0.97 O ATOM 645 ND2 ASN A 10 1.588 -8.674 -10.341 1.00 0.67 N ATOM 0 H ASN A 10 -0.137 -8.762 -12.624 1.00 0.52 H new ATOM 0 HA ASN A 10 -0.797 -10.178 -10.063 1.00 0.51 H new ATOM 0 HB2 ASN A 10 -1.345 -7.265 -10.714 1.00 0.61 H new ATOM 0 HB3 ASN A 10 -1.096 -8.007 -9.146 1.00 0.61 H new ATOM 0 HD21 ASN A 10 2.585 -8.467 -10.397 1.00 0.67 H new ATOM 0 HD22 ASN A 10 1.267 -9.642 -10.341 1.00 0.67 H new ATOM 652 N ALA A 11 -3.370 -9.943 -10.332 1.00 0.45 N ATOM 653 CA ALA A 11 -4.815 -10.044 -10.705 1.00 0.41 C ATOM 654 C ALA A 11 -5.243 -8.743 -11.390 1.00 0.37 C ATOM 655 O ALA A 11 -6.251 -8.679 -12.068 1.00 0.41 O ATOM 656 CB ALA A 11 -5.663 -10.272 -9.449 1.00 0.49 C ATOM 0 H ALA A 11 -3.143 -10.229 -9.379 1.00 0.45 H new ATOM 0 HA ALA A 11 -4.961 -10.884 -11.384 1.00 0.41 H new ATOM 0 HB1 ALA A 11 -6.714 -10.345 -9.728 1.00 0.49 H new ATOM 0 HB2 ALA A 11 -5.352 -11.197 -8.963 1.00 0.49 H new ATOM 0 HB3 ALA A 11 -5.527 -9.437 -8.762 1.00 0.49 H new ATOM 662 N PHE A 12 -4.467 -7.709 -11.226 1.00 0.39 N ATOM 663 CA PHE A 12 -4.795 -6.410 -11.871 1.00 0.38 C ATOM 664 C PHE A 12 -4.406 -6.485 -13.349 1.00 0.30 C ATOM 665 O PHE A 12 -5.233 -6.356 -14.240 1.00 0.35 O ATOM 666 CB PHE A 12 -3.996 -5.298 -11.190 1.00 0.47 C ATOM 667 CG PHE A 12 -4.300 -3.981 -11.862 1.00 0.50 C ATOM 668 CD1 PHE A 12 -5.522 -3.347 -11.626 1.00 0.52 C ATOM 669 CD2 PHE A 12 -3.362 -3.394 -12.720 1.00 0.55 C ATOM 670 CE1 PHE A 12 -5.807 -2.127 -12.248 1.00 0.57 C ATOM 671 CE2 PHE A 12 -3.647 -2.174 -13.343 1.00 0.60 C ATOM 672 CZ PHE A 12 -4.870 -1.539 -13.107 1.00 0.60 C ATOM 0 H PHE A 12 -3.613 -7.709 -10.668 1.00 0.39 H new ATOM 0 HA PHE A 12 -5.861 -6.201 -11.778 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -4.252 -5.247 -10.132 1.00 0.47 H new ATOM 0 HB3 PHE A 12 -2.929 -5.512 -11.250 1.00 0.47 H new ATOM 0 HD1 PHE A 12 -6.246 -3.798 -10.964 1.00 0.52 H new ATOM 0 HD2 PHE A 12 -2.417 -3.884 -12.901 1.00 0.55 H new ATOM 0 HE1 PHE A 12 -6.752 -1.637 -12.065 1.00 0.57 H new ATOM 0 HE2 PHE A 12 -2.923 -1.723 -14.006 1.00 0.60 H new ATOM 0 HZ PHE A 12 -5.092 -0.597 -13.586 1.00 0.60 H new ATOM 682 N ILE A 13 -3.151 -6.700 -13.623 24.61 0.30 N ATOM 683 CA ILE A 13 -2.720 -6.790 -15.039 24.61 0.31 C ATOM 684 C ILE A 13 -3.385 -8.015 -15.671 24.61 0.32 C ATOM 685 O ILE A 13 -3.467 -8.130 -16.875 24.61 0.45 O ATOM 686 CB ILE A 13 -1.181 -6.860 -15.104 24.61 0.41 C ATOM 687 CG1 ILE A 13 -0.632 -5.479 -14.659 24.61 0.45 C ATOM 688 CG2 ILE A 13 -0.729 -7.197 -16.535 24.61 0.52 C ATOM 689 CD1 ILE A 13 0.870 -5.325 -14.930 24.61 1.18 C ATOM 0 H ILE A 13 -2.411 -6.816 -12.931 24.61 0.30 H new ATOM 0 HA ILE A 13 -3.027 -5.908 -15.601 24.61 0.31 H new ATOM 0 HB ILE A 13 -0.799 -7.642 -14.448 24.61 0.41 H new ATOM 0 HG12 ILE A 13 -1.174 -4.691 -15.182 24.61 0.45 H new ATOM 0 HG13 ILE A 13 -0.821 -5.343 -13.594 24.61 0.45 H new ATOM 0 HG21 ILE A 13 0.359 -7.244 -16.571 24.61 0.52 H new ATOM 0 HG22 ILE A 13 -1.144 -8.161 -16.830 24.61 0.52 H new ATOM 0 HG23 ILE A 13 -1.082 -6.425 -17.219 24.61 0.52 H new ATOM 0 HD11 ILE A 13 1.200 -4.340 -14.599 24.61 1.18 H new ATOM 0 HD12 ILE A 13 1.419 -6.094 -14.386 24.61 1.18 H new ATOM 0 HD13 ILE A 13 1.060 -5.431 -15.998 24.61 1.18 H new ATOM 701 N VAL A 14 -3.912 -8.910 -14.874 1.00 0.31 N ATOM 702 CA VAL A 14 -4.619 -10.078 -15.470 1.00 0.36 C ATOM 703 C VAL A 14 -5.740 -9.510 -16.341 1.00 0.37 C ATOM 704 O VAL A 14 -5.904 -9.884 -17.491 1.00 0.46 O ATOM 705 CB VAL A 14 -5.190 -10.977 -14.361 1.00 0.39 C ATOM 706 CG1 VAL A 14 -6.290 -11.887 -14.924 1.00 0.59 C ATOM 707 CG2 VAL A 14 -4.070 -11.853 -13.793 1.00 0.38 C ATOM 0 H VAL A 14 -3.884 -8.883 -13.855 1.00 0.31 H new ATOM 0 HA VAL A 14 -3.941 -10.692 -16.063 1.00 0.36 H new ATOM 0 HB VAL A 14 -5.611 -10.344 -13.579 1.00 0.39 H new ATOM 0 HG11 VAL A 14 -6.684 -12.517 -14.127 1.00 0.59 H new ATOM 0 HG12 VAL A 14 -7.094 -11.275 -15.334 1.00 0.59 H new ATOM 0 HG13 VAL A 14 -5.874 -12.516 -15.712 1.00 0.59 H new ATOM 0 HG21 VAL A 14 -4.471 -12.492 -13.006 1.00 0.38 H new ATOM 0 HG22 VAL A 14 -3.655 -12.473 -14.587 1.00 0.38 H new ATOM 0 HG23 VAL A 14 -3.286 -11.219 -13.380 1.00 0.38 H new ATOM 717 N TRP A 15 -6.493 -8.571 -15.811101.08 0.42 N ATOM 718 CA TRP A 15 -7.567 -7.949 -16.630101.08 0.47 C ATOM 719 C TRP A 15 -6.917 -7.441 -17.904101.08 0.40 C ATOM 720 O TRP A 15 -7.357 -7.724 -18.992101.08 0.43 O ATOM 721 CB TRP A 15 -8.202 -6.754 -15.893101.08 0.61 C ATOM 722 CG TRP A 15 -9.227 -7.218 -14.913101.08 0.68 C ATOM 723 CD1 TRP A 15 -10.275 -8.025 -15.199101.08 0.82 C ATOM 724 CD2 TRP A 15 -9.335 -6.890 -13.502101.08 0.69 C ATOM 725 NE1 TRP A 15 -11.008 -8.223 -14.047101.08 0.90 N ATOM 726 CE2 TRP A 15 -10.467 -7.546 -12.972101.08 0.81 C ATOM 727 CE3 TRP A 15 -8.561 -6.098 -12.637101.08 0.71 C ATOM 728 CZ2 TRP A 15 -10.819 -7.424 -11.630101.08 0.86 C ATOM 729 CZ3 TRP A 15 -8.913 -5.968 -11.284101.08 0.79 C ATOM 730 CH2 TRP A 15 -10.040 -6.633 -10.780101.08 0.84 C ATOM 0 H TRP A 15 -6.407 -8.217 -14.858101.08 0.42 H new ATOM 0 HA TRP A 15 -8.349 -8.682 -16.831101.08 0.47 H new ATOM 0 HB2 TRP A 15 -7.428 -6.188 -15.375101.08 0.61 H new ATOM 0 HB3 TRP A 15 -8.662 -6.079 -16.615101.08 0.61 H new ATOM 0 HD1 TRP A 15 -10.500 -8.445 -16.168101.08 0.82 H new ATOM 0 HE1 TRP A 15 -11.848 -8.800 -13.996101.08 0.90 H new ATOM 0 HE3 TRP A 15 -7.689 -5.586 -13.016101.08 0.71 H new ATOM 0 HZ2 TRP A 15 -11.689 -7.938 -11.248101.08 0.86 H new ATOM 0 HZ3 TRP A 15 -8.313 -5.353 -10.629101.08 0.79 H new ATOM 0 HH2 TRP A 15 -10.306 -6.534 -9.738101.08 0.84 H new ATOM 741 N SER A 16 -5.855 -6.695 -17.766 1.00 0.37 N ATOM 742 CA SER A 16 -5.161 -6.168 -18.971 1.00 0.36 C ATOM 743 C SER A 16 -5.017 -7.281 -20.012 1.00 0.29 C ATOM 744 O SER A 16 -5.452 -7.153 -21.125 1.00 0.32 O ATOM 745 CB SER A 16 -3.775 -5.647 -18.580 1.00 0.46 C ATOM 746 OG SER A 16 -3.310 -4.755 -19.585 1.00 0.81 O ATOM 0 H SER A 16 -5.440 -6.429 -16.873 1.00 0.37 H new ATOM 0 HA SER A 16 -5.747 -5.352 -19.395 1.00 0.36 H new ATOM 0 HB2 SER A 16 -3.823 -5.137 -17.618 1.00 0.46 H new ATOM 0 HB3 SER A 16 -3.080 -6.479 -18.465 1.00 0.46 H new ATOM 0 HG SER A 16 -2.424 -4.417 -19.338 1.00 0.81 H new ATOM 752 N ARG A 17 -4.411 -8.373 -19.651 1.00 0.30 N ATOM 753 CA ARG A 17 -4.230 -9.494 -20.624 1.00 0.37 C ATOM 754 C ARG A 17 -5.499 -9.706 -21.472 1.00 0.40 C ATOM 755 O ARG A 17 -5.569 -9.306 -22.623 1.00 0.50 O ATOM 756 CB ARG A 17 -3.922 -10.788 -19.852 1.00 0.47 C ATOM 757 CG ARG A 17 -2.663 -10.603 -18.989 1.00 0.45 C ATOM 758 CD ARG A 17 -1.361 -10.690 -19.838 1.00 0.58 C ATOM 759 NE ARG A 17 -1.673 -10.819 -21.292 1.00 0.64 N ATOM 760 CZ ARG A 17 -0.753 -10.566 -22.177 1.00 0.76 C ATOM 761 NH1 ARG A 17 0.443 -10.217 -21.792 1.00 0.85 N ATOM 762 NH2 ARG A 17 -1.030 -10.658 -23.448 1.00 0.86 N ATOM 0 H ARG A 17 -4.029 -8.543 -18.721 1.00 0.30 H new ATOM 0 HA ARG A 17 -3.406 -9.240 -21.291 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -4.769 -11.054 -19.220 1.00 0.47 H new ATOM 0 HB3 ARG A 17 -3.775 -11.611 -20.551 1.00 0.47 H new ATOM 0 HG2 ARG A 17 -2.705 -9.636 -18.487 1.00 0.45 H new ATOM 0 HG3 ARG A 17 -2.641 -11.366 -18.211 1.00 0.45 H new ATOM 0 HD2 ARG A 17 -0.755 -9.800 -19.671 1.00 0.58 H new ATOM 0 HD3 ARG A 17 -0.768 -11.545 -19.513 1.00 0.58 H new ATOM 0 HE ARG A 17 -2.605 -11.105 -21.591 1.00 0.64 H new ATOM 0 HH11 ARG A 17 0.657 -10.142 -20.798 1.00 0.85 H new ATOM 0 HH12 ARG A 17 1.164 -10.019 -22.485 1.00 0.85 H new ATOM 0 HH21 ARG A 17 -1.967 -10.928 -23.748 1.00 0.86 H new ATOM 0 HH22 ARG A 17 -0.310 -10.460 -24.143 1.00 0.86 H new ATOM 776 N ASP A 18 -6.489 -10.357 -20.925 1.00 0.41 N ATOM 777 CA ASP A 18 -7.732 -10.633 -21.712 1.00 0.51 C ATOM 778 C ASP A 18 -8.571 -9.364 -21.923 1.00 0.48 C ATOM 779 O ASP A 18 -9.158 -9.171 -22.972 1.00 0.57 O ATOM 780 CB ASP A 18 -8.573 -11.670 -20.965 1.00 0.58 C ATOM 781 CG ASP A 18 -7.681 -12.831 -20.529 1.00 0.77 C ATOM 782 OD1 ASP A 18 -7.073 -12.722 -19.477 1.00 1.09 O ATOM 783 OD2 ASP A 18 -7.620 -13.811 -21.254 1.00 0.89 O ATOM 0 H ASP A 18 -6.494 -10.711 -19.968 1.00 0.41 H new ATOM 0 HA ASP A 18 -7.435 -11.005 -22.692 1.00 0.51 H new ATOM 0 HB2 ASP A 18 -9.044 -11.213 -20.095 1.00 0.58 H new ATOM 0 HB3 ASP A 18 -9.375 -12.035 -21.607 1.00 0.58 H new ATOM 788 N GLN A 19 -8.674 -8.524 -20.935 1.00 0.43 N ATOM 789 CA GLN A 19 -9.523 -7.300 -21.082 1.00 0.46 C ATOM 790 C GLN A 19 -8.918 -6.318 -22.099 1.00 0.36 C ATOM 791 O GLN A 19 -9.629 -5.744 -22.901 1.00 0.41 O ATOM 792 CB GLN A 19 -9.667 -6.611 -19.714 1.00 0.55 C ATOM 793 CG GLN A 19 -10.911 -5.698 -19.683 1.00 0.73 C ATOM 794 CD GLN A 19 -10.564 -4.304 -20.207 1.00 0.87 C ATOM 795 OE1 GLN A 19 -9.593 -4.123 -20.912 1.00 1.06 O ATOM 796 NE2 GLN A 19 -11.323 -3.304 -19.876 1.00 1.01 N ATOM 0 H GLN A 19 -8.211 -8.626 -20.032 1.00 0.43 H new ATOM 0 HA GLN A 19 -10.503 -7.604 -21.450 1.00 0.46 H new ATOM 0 HB2 GLN A 19 -9.745 -7.364 -18.930 1.00 0.55 H new ATOM 0 HB3 GLN A 19 -8.774 -6.022 -19.503 1.00 0.55 H new ATOM 0 HG2 GLN A 19 -11.705 -6.134 -20.290 1.00 0.73 H new ATOM 0 HG3 GLN A 19 -11.291 -5.626 -18.664 1.00 0.73 H new ATOM 0 HE21 GLN A 19 -12.139 -3.457 -19.283 1.00 1.01 H new ATOM 0 HE22 GLN A 19 -11.103 -2.365 -20.209 1.00 1.01 H new ATOM 805 N ARG A 20 -7.630 -6.096 -22.077 1.00 0.31 N ATOM 806 CA ARG A 20 -7.048 -5.125 -23.054 1.00 0.33 C ATOM 807 C ARG A 20 -7.354 -5.618 -24.470 1.00 0.37 C ATOM 808 O ARG A 20 -7.683 -4.848 -25.351 1.00 0.44 O ATOM 809 CB ARG A 20 -5.519 -4.995 -22.858 1.00 0.42 C ATOM 810 CG ARG A 20 -4.790 -6.167 -23.550 1.00 0.53 C ATOM 811 CD ARG A 20 -3.358 -6.320 -23.018 1.00 0.54 C ATOM 812 NE ARG A 20 -2.485 -6.885 -24.102 1.00 0.64 N ATOM 813 CZ ARG A 20 -2.863 -7.917 -24.813 1.00 0.75 C ATOM 814 NH1 ARG A 20 -3.889 -8.632 -24.454 1.00 0.84 N ATOM 815 NH2 ARG A 20 -2.159 -8.274 -25.852 1.00 0.86 N ATOM 0 H ARG A 20 -6.966 -6.534 -21.439 1.00 0.31 H new ATOM 0 HA ARG A 20 -7.490 -4.142 -22.893 1.00 0.33 H new ATOM 0 HB2 ARG A 20 -5.172 -4.047 -23.270 1.00 0.42 H new ATOM 0 HB3 ARG A 20 -5.281 -4.987 -21.794 1.00 0.42 H new ATOM 0 HG2 ARG A 20 -5.343 -7.092 -23.385 1.00 0.53 H new ATOM 0 HG3 ARG A 20 -4.765 -5.999 -24.627 1.00 0.53 H new ATOM 0 HD2 ARG A 20 -2.973 -5.354 -22.692 1.00 0.54 H new ATOM 0 HD3 ARG A 20 -3.349 -6.977 -22.148 1.00 0.54 H new ATOM 0 HE ARG A 20 -1.579 -6.456 -24.288 1.00 0.64 H new ATOM 0 HH11 ARG A 20 -4.409 -8.391 -23.610 1.00 0.84 H new ATOM 0 HH12 ARG A 20 -4.174 -9.434 -25.016 1.00 0.84 H new ATOM 0 HH21 ARG A 20 -1.321 -7.750 -26.105 1.00 0.86 H new ATOM 0 HH22 ARG A 20 -2.447 -9.077 -26.411 1.00 0.86 H new ATOM 829 N ARG A 21 -7.244 -6.898 -24.696 1.00 0.43 N ATOM 830 CA ARG A 21 -7.526 -7.433 -26.050 1.00 0.56 C ATOM 831 C ARG A 21 -8.913 -6.967 -26.488 1.00 0.51 C ATOM 832 O ARG A 21 -9.119 -6.588 -27.621 1.00 0.57 O ATOM 833 CB ARG A 21 -7.482 -8.967 -26.011 1.00 0.73 C ATOM 834 CG ARG A 21 -7.947 -9.569 -27.354 1.00 1.01 C ATOM 835 CD ARG A 21 -7.038 -9.102 -28.498 1.00 1.14 C ATOM 836 NE ARG A 21 -5.612 -9.297 -28.106 1.00 1.51 N ATOM 837 CZ ARG A 21 -4.668 -9.211 -29.000 1.00 1.82 C ATOM 838 NH1 ARG A 21 -4.960 -8.897 -30.231 1.00 1.88 N ATOM 839 NH2 ARG A 21 -3.427 -9.434 -28.660 1.00 2.38 N ATOM 0 H ARG A 21 -6.971 -7.593 -24.001 1.00 0.43 H new ATOM 0 HA ARG A 21 -6.779 -7.072 -26.756 1.00 0.56 H new ATOM 0 HB2 ARG A 21 -6.467 -9.300 -25.791 1.00 0.73 H new ATOM 0 HB3 ARG A 21 -8.119 -9.332 -25.205 1.00 0.73 H new ATOM 0 HG2 ARG A 21 -7.936 -10.657 -27.294 1.00 1.01 H new ATOM 0 HG3 ARG A 21 -8.976 -9.271 -27.555 1.00 1.01 H new ATOM 0 HD2 ARG A 21 -7.258 -9.665 -29.405 1.00 1.14 H new ATOM 0 HD3 ARG A 21 -7.225 -8.052 -28.721 1.00 1.14 H new ATOM 0 HE ARG A 21 -5.375 -9.498 -27.135 1.00 1.51 H new ATOM 0 HH11 ARG A 21 -5.929 -8.718 -30.496 1.00 1.88 H new ATOM 0 HH12 ARG A 21 -4.220 -8.830 -30.930 1.00 1.88 H new ATOM 0 HH21 ARG A 21 -3.198 -9.675 -27.696 1.00 2.38 H new ATOM 0 HH22 ARG A 21 -2.687 -9.367 -29.359 1.00 2.38 H new ATOM 853 N LYS A 22 -9.866 -7.004 -25.595 1.00 0.47 N ATOM 854 CA LYS A 22 -11.250 -6.582 -25.952 1.00 0.50 C ATOM 855 C LYS A 22 -11.259 -5.107 -26.351 1.00 0.43 C ATOM 856 O LYS A 22 -11.787 -4.736 -27.380 1.00 0.47 O ATOM 857 CB LYS A 22 -12.151 -6.784 -24.728 1.00 0.55 C ATOM 858 CG LYS A 22 -13.632 -6.520 -25.088 1.00 0.87 C ATOM 859 CD LYS A 22 -14.374 -5.935 -23.870 1.00 1.04 C ATOM 860 CE LYS A 22 -14.125 -4.419 -23.774 1.00 1.15 C ATOM 861 NZ LYS A 22 -15.150 -3.697 -24.577 1.00 1.00 N ATOM 0 H LYS A 22 -9.744 -7.310 -24.630 1.00 0.47 H new ATOM 0 HA LYS A 22 -11.612 -7.176 -26.791 1.00 0.50 H new ATOM 0 HB2 LYS A 22 -12.039 -7.801 -24.352 1.00 0.55 H new ATOM 0 HB3 LYS A 22 -11.841 -6.112 -23.928 1.00 0.55 H new ATOM 0 HG2 LYS A 22 -13.693 -5.828 -25.928 1.00 0.87 H new ATOM 0 HG3 LYS A 22 -14.109 -7.448 -25.404 1.00 0.87 H new ATOM 0 HD2 LYS A 22 -15.443 -6.131 -23.958 1.00 1.04 H new ATOM 0 HD3 LYS A 22 -14.034 -6.425 -22.958 1.00 1.04 H new ATOM 0 HE2 LYS A 22 -14.170 -4.097 -22.734 1.00 1.15 H new ATOM 0 HE3 LYS A 22 -13.126 -4.180 -24.139 1.00 1.15 H new ATOM 0 HZ1 LYS A 22 -14.983 -2.673 -24.513 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -15.087 -3.997 -25.571 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -16.097 -3.917 -24.209 1.00 1.00 H new ATOM 875 N MET A 23 -10.691 -4.265 -25.543 1.00 0.41 N ATOM 876 CA MET A 23 -10.681 -2.814 -25.875 1.00 0.39 C ATOM 877 C MET A 23 -9.956 -2.599 -27.207 1.00 0.41 C ATOM 878 O MET A 23 -10.246 -1.674 -27.940 1.00 0.47 O ATOM 879 CB MET A 23 -9.958 -2.045 -24.761 1.00 0.46 C ATOM 880 CG MET A 23 -10.353 -0.564 -24.802 1.00 0.39 C ATOM 881 SD MET A 23 -11.948 -0.344 -23.974 1.00 0.68 S ATOM 882 CE MET A 23 -12.002 1.462 -24.067 1.00 0.79 C ATOM 0 H MET A 23 -10.233 -4.515 -24.667 1.00 0.41 H new ATOM 0 HA MET A 23 -11.705 -2.450 -25.962 1.00 0.39 H new ATOM 0 HB2 MET A 23 -10.212 -2.471 -23.790 1.00 0.46 H new ATOM 0 HB3 MET A 23 -8.879 -2.145 -24.880 1.00 0.46 H new ATOM 0 HG2 MET A 23 -9.590 0.041 -24.312 1.00 0.39 H new ATOM 0 HG3 MET A 23 -10.417 -0.222 -25.835 1.00 0.39 H new ATOM 0 HE1 MET A 23 -12.921 1.823 -23.606 1.00 0.79 H new ATOM 0 HE2 MET A 23 -11.144 1.879 -23.540 1.00 0.79 H new ATOM 0 HE3 MET A 23 -11.974 1.774 -25.111 1.00 0.79 H new ATOM 892 N ALA A 24 -9.013 -3.443 -27.523 1.00 0.46 N ATOM 893 CA ALA A 24 -8.271 -3.281 -28.805 1.00 0.56 C ATOM 894 C ALA A 24 -9.161 -3.703 -29.984 1.00 0.56 C ATOM 895 O ALA A 24 -8.910 -3.344 -31.117 1.00 0.67 O ATOM 896 CB ALA A 24 -7.003 -4.141 -28.773 1.00 0.70 C ATOM 0 H ALA A 24 -8.725 -4.236 -26.950 1.00 0.46 H new ATOM 0 HA ALA A 24 -7.994 -2.234 -28.931 1.00 0.56 H new ATOM 0 HB1 ALA A 24 -6.460 -4.023 -29.711 1.00 0.70 H new ATOM 0 HB2 ALA A 24 -6.370 -3.825 -27.944 1.00 0.70 H new ATOM 0 HB3 ALA A 24 -7.277 -5.188 -28.641 1.00 0.70 H new ATOM 902 N LEU A 25 -10.199 -4.463 -29.736 1.00 0.52 N ATOM 903 CA LEU A 25 -11.084 -4.894 -30.861 1.00 0.59 C ATOM 904 C LEU A 25 -11.783 -3.676 -31.465 1.00 0.65 C ATOM 905 O LEU A 25 -11.611 -3.357 -32.624 1.00 0.79 O ATOM 906 CB LEU A 25 -12.166 -5.861 -30.356 1.00 0.57 C ATOM 907 CG LEU A 25 -11.539 -7.178 -29.887 1.00 0.52 C ATOM 908 CD1 LEU A 25 -12.633 -8.064 -29.284 1.00 0.69 C ATOM 909 CD2 LEU A 25 -10.873 -7.910 -31.072 1.00 0.62 C ATOM 0 H LEU A 25 -10.470 -4.801 -28.812 1.00 0.52 H new ATOM 0 HA LEU A 25 -10.464 -5.390 -31.608 1.00 0.59 H new ATOM 0 HB2 LEU A 25 -12.717 -5.402 -29.535 1.00 0.57 H new ATOM 0 HB3 LEU A 25 -12.885 -6.058 -31.151 1.00 0.57 H new ATOM 0 HG LEU A 25 -10.776 -6.965 -29.138 1.00 0.52 H new ATOM 0 HD11 LEU A 25 -12.196 -9.004 -28.947 1.00 0.69 H new ATOM 0 HD12 LEU A 25 -13.090 -7.552 -28.437 1.00 0.69 H new ATOM 0 HD13 LEU A 25 -13.393 -8.267 -30.038 1.00 0.69 H new ATOM 0 HD21 LEU A 25 -10.432 -8.843 -30.722 1.00 0.62 H new ATOM 0 HD22 LEU A 25 -11.622 -8.126 -31.834 1.00 0.62 H new ATOM 0 HD23 LEU A 25 -10.094 -7.278 -31.498 1.00 0.62 H new ATOM 921 N GLU A 26 -12.598 -3.019 -30.689 1.00 0.68 N ATOM 922 CA GLU A 26 -13.352 -1.840 -31.204 1.00 0.81 C ATOM 923 C GLU A 26 -12.509 -0.562 -31.138 1.00 0.69 C ATOM 924 O GLU A 26 -12.799 0.399 -31.824 1.00 0.78 O ATOM 925 CB GLU A 26 -14.607 -1.660 -30.354 1.00 0.98 C ATOM 926 CG GLU A 26 -15.593 -2.795 -30.654 1.00 1.38 C ATOM 927 CD GLU A 26 -16.685 -2.824 -29.581 1.00 2.02 C ATOM 928 OE1 GLU A 26 -16.429 -2.350 -28.486 1.00 2.80 O ATOM 929 OE2 GLU A 26 -17.761 -3.320 -29.872 1.00 2.21 O ATOM 0 H GLU A 26 -12.776 -3.249 -29.711 1.00 0.68 H new ATOM 0 HA GLU A 26 -13.610 -2.018 -32.248 1.00 0.81 H new ATOM 0 HB2 GLU A 26 -14.346 -1.661 -29.296 1.00 0.98 H new ATOM 0 HB3 GLU A 26 -15.069 -0.696 -30.568 1.00 0.98 H new ATOM 0 HG2 GLU A 26 -16.040 -2.652 -31.638 1.00 1.38 H new ATOM 0 HG3 GLU A 26 -15.068 -3.750 -30.678 1.00 1.38 H new ATOM 936 N ASN A 27 -11.484 -0.521 -30.315 1.00 0.57 N ATOM 937 CA ASN A 27 -10.649 0.726 -30.214 1.00 0.50 C ATOM 938 C ASN A 27 -9.147 0.418 -30.309 1.00 0.49 C ATOM 939 O ASN A 27 -8.395 0.824 -29.445 1.00 0.51 O ATOM 940 CB ASN A 27 -10.917 1.399 -28.865 1.00 0.48 C ATOM 941 CG ASN A 27 -12.422 1.545 -28.651 1.00 1.03 C ATOM 942 OD1 ASN A 27 -13.077 0.626 -28.201 1.00 1.52 O ATOM 943 ND2 ASN A 27 -13.001 2.673 -28.952 1.00 1.55 N ATOM 0 H ASN A 27 -11.190 -1.290 -29.713 1.00 0.57 H new ATOM 0 HA ASN A 27 -10.922 1.377 -31.044 1.00 0.50 H new ATOM 0 HB2 ASN A 27 -10.481 0.807 -28.060 1.00 0.48 H new ATOM 0 HB3 ASN A 27 -10.439 2.378 -28.835 1.00 0.48 H new ATOM 0 HD21 ASN A 27 -14.005 2.785 -28.810 1.00 1.55 H new ATOM 0 HD22 ASN A 27 -12.450 3.444 -29.330 1.00 1.55 H new ATOM 950 N PRO A 28 -8.731 -0.254 -31.358 1.00 0.59 N ATOM 951 CA PRO A 28 -7.302 -0.554 -31.545 1.00 0.71 C ATOM 952 C PRO A 28 -6.525 0.766 -31.680 1.00 0.71 C ATOM 953 O PRO A 28 -5.311 0.790 -31.621 1.00 0.74 O ATOM 954 CB PRO A 28 -7.238 -1.380 -32.850 1.00 0.91 C ATOM 955 CG PRO A 28 -8.665 -1.373 -33.471 1.00 0.92 C ATOM 956 CD PRO A 28 -9.621 -0.772 -32.417 1.00 0.72 C ATOM 0 HA PRO A 28 -6.863 -1.101 -30.711 1.00 0.71 H new ATOM 0 HB2 PRO A 28 -6.515 -0.949 -33.543 1.00 0.91 H new ATOM 0 HB3 PRO A 28 -6.913 -2.400 -32.644 1.00 0.91 H new ATOM 0 HG2 PRO A 28 -8.683 -0.783 -34.387 1.00 0.92 H new ATOM 0 HG3 PRO A 28 -8.973 -2.384 -33.737 1.00 0.92 H new ATOM 0 HD2 PRO A 28 -10.233 0.023 -32.844 1.00 0.72 H new ATOM 0 HD3 PRO A 28 -10.305 -1.526 -32.026 1.00 0.72 H new ATOM 964 N ARG A 29 -7.226 1.864 -31.863 1.00 0.75 N ATOM 965 CA ARG A 29 -6.549 3.195 -32.006 1.00 0.75 C ATOM 966 C ARG A 29 -6.862 4.072 -30.786 1.00 0.68 C ATOM 967 O ARG A 29 -7.478 5.111 -30.904 1.00 0.71 O ATOM 968 CB ARG A 29 -7.065 3.908 -33.269 1.00 0.82 C ATOM 969 CG ARG A 29 -6.502 3.245 -34.548 1.00 0.98 C ATOM 970 CD ARG A 29 -7.374 2.040 -34.970 1.00 1.01 C ATOM 971 NE ARG A 29 -6.497 0.905 -35.407 1.00 1.13 N ATOM 972 CZ ARG A 29 -5.487 1.097 -36.217 1.00 1.61 C ATOM 973 NH1 ARG A 29 -5.306 2.255 -36.789 1.00 1.93 N ATOM 974 NH2 ARG A 29 -4.679 0.108 -36.486 1.00 2.05 N ATOM 0 H ARG A 29 -8.244 1.894 -31.920 1.00 0.75 H new ATOM 0 HA ARG A 29 -5.473 3.035 -32.082 1.00 0.75 H new ATOM 0 HB2 ARG A 29 -8.154 3.878 -33.289 1.00 0.82 H new ATOM 0 HB3 ARG A 29 -6.776 4.959 -33.242 1.00 0.82 H new ATOM 0 HG2 ARG A 29 -6.467 3.975 -35.356 1.00 0.98 H new ATOM 0 HG3 ARG A 29 -5.478 2.915 -34.372 1.00 0.98 H new ATOM 0 HD2 ARG A 29 -8.003 1.725 -34.137 1.00 1.01 H new ATOM 0 HD3 ARG A 29 -8.041 2.329 -35.782 1.00 1.01 H new ATOM 0 HE ARG A 29 -6.692 -0.036 -35.066 1.00 1.13 H new ATOM 0 HH11 ARG A 29 -5.955 3.021 -36.607 1.00 1.93 H new ATOM 0 HH12 ARG A 29 -4.516 2.395 -37.419 1.00 1.93 H new ATOM 0 HH21 ARG A 29 -4.837 -0.808 -36.066 1.00 2.05 H new ATOM 0 HH22 ARG A 29 -3.890 0.251 -37.116 1.00 2.05 H new ATOM 988 N MET A 30 -6.429 3.677 -29.617 1.00 0.61 N ATOM 989 CA MET A 30 -6.694 4.511 -28.405 1.00 0.56 C ATOM 990 C MET A 30 -5.734 5.705 -28.400 1.00 0.58 C ATOM 991 O MET A 30 -4.535 5.552 -28.517 1.00 0.59 O ATOM 992 CB MET A 30 -6.493 3.664 -27.136 1.00 0.49 C ATOM 993 CG MET A 30 -7.761 2.828 -26.833 1.00 0.49 C ATOM 994 SD MET A 30 -8.721 3.637 -25.518 1.00 0.57 S ATOM 995 CE MET A 30 -10.154 4.145 -26.503 1.00 0.55 C ATOM 0 H MET A 30 -5.906 2.818 -29.448 1.00 0.61 H new ATOM 0 HA MET A 30 -7.722 4.873 -28.424 1.00 0.56 H new ATOM 0 HB2 MET A 30 -5.637 3.002 -27.266 1.00 0.49 H new ATOM 0 HB3 MET A 30 -6.268 4.314 -26.290 1.00 0.49 H new ATOM 0 HG2 MET A 30 -8.368 2.729 -27.733 1.00 0.49 H new ATOM 0 HG3 MET A 30 -7.480 1.821 -26.526 1.00 0.49 H new ATOM 0 HE1 MET A 30 -10.734 4.883 -25.948 1.00 0.55 H new ATOM 0 HE2 MET A 30 -9.814 4.582 -27.442 1.00 0.55 H new ATOM 0 HE3 MET A 30 -10.778 3.276 -26.712 1.00 0.55 H new ATOM 1005 N ARG A 31 -6.260 6.894 -28.281 1.00 0.63 N ATOM 1006 CA ARG A 31 -5.388 8.103 -28.287 1.00 0.69 C ATOM 1007 C ARG A 31 -4.725 8.291 -26.915 1.00 0.67 C ATOM 1008 O ARG A 31 -3.777 7.612 -26.579 1.00 0.77 O ATOM 1009 CB ARG A 31 -6.229 9.335 -28.637 1.00 0.80 C ATOM 1010 CG ARG A 31 -7.026 9.076 -29.923 1.00 0.79 C ATOM 1011 CD ARG A 31 -6.098 8.954 -31.140 1.00 0.94 C ATOM 1012 NE ARG A 31 -5.069 10.048 -31.128 1.00 0.91 N ATOM 1013 CZ ARG A 31 -5.406 11.312 -31.100 1.00 1.09 C ATOM 1014 NH1 ARG A 31 -6.653 11.667 -31.237 1.00 1.29 N ATOM 1015 NH2 ARG A 31 -4.482 12.225 -30.984 1.00 1.17 N ATOM 0 H ARG A 31 -7.258 7.080 -28.180 1.00 0.63 H new ATOM 0 HA ARG A 31 -4.605 7.974 -29.034 1.00 0.69 H new ATOM 0 HB2 ARG A 31 -6.910 9.566 -27.818 1.00 0.80 H new ATOM 0 HB3 ARG A 31 -5.582 10.202 -28.768 1.00 0.80 H new ATOM 0 HG2 ARG A 31 -7.609 8.161 -29.814 1.00 0.79 H new ATOM 0 HG3 ARG A 31 -7.735 9.888 -30.084 1.00 0.79 H new ATOM 0 HD2 ARG A 31 -5.604 7.982 -31.132 1.00 0.94 H new ATOM 0 HD3 ARG A 31 -6.683 9.007 -32.058 1.00 0.94 H new ATOM 0 HE ARG A 31 -4.080 9.799 -31.142 1.00 0.91 H new ATOM 0 HH11 ARG A 31 -7.374 10.957 -31.367 1.00 1.29 H new ATOM 0 HH12 ARG A 31 -6.908 12.654 -31.214 1.00 1.29 H new ATOM 0 HH21 ARG A 31 -3.501 11.952 -30.916 1.00 1.17 H new ATOM 0 HH22 ARG A 31 -4.740 13.212 -30.962 1.00 1.17 H new ATOM 1029 N ASN A 32 -5.205 9.219 -26.124 1.00 0.60 N ATOM 1030 CA ASN A 32 -4.591 9.458 -24.784 1.00 0.60 C ATOM 1031 C ASN A 32 -4.698 8.196 -23.917 1.00 0.56 C ATOM 1032 O ASN A 32 -5.019 7.125 -24.391 1.00 0.60 O ATOM 1033 CB ASN A 32 -5.317 10.619 -24.093 1.00 0.58 C ATOM 1034 CG ASN A 32 -4.845 11.951 -24.686 1.00 0.53 C ATOM 1035 OD1 ASN A 32 -3.762 12.412 -24.387 1.00 0.71 O ATOM 1036 ND2 ASN A 32 -5.615 12.593 -25.521 1.00 0.58 N ATOM 0 H ASN A 32 -5.997 9.821 -26.350 1.00 0.60 H new ATOM 0 HA ASN A 32 -3.538 9.707 -24.914 1.00 0.60 H new ATOM 0 HB2 ASN A 32 -6.394 10.514 -24.221 1.00 0.58 H new ATOM 0 HB3 ASN A 32 -5.120 10.597 -23.021 1.00 0.58 H new ATOM 0 HD21 ASN A 32 -5.307 13.479 -25.921 1.00 0.58 H new ATOM 0 HD22 ASN A 32 -6.525 12.208 -25.774 1.00 0.58 H new ATOM 1043 N SER A 33 -4.423 8.323 -22.645 1.00 0.56 N ATOM 1044 CA SER A 33 -4.494 7.149 -21.731 1.00 0.57 C ATOM 1045 C SER A 33 -5.935 6.974 -21.238 1.00 0.49 C ATOM 1046 O SER A 33 -6.249 7.263 -20.104 1.00 0.52 O ATOM 1047 CB SER A 33 -3.562 7.400 -20.539 1.00 0.68 C ATOM 1048 OG SER A 33 -2.253 7.672 -21.020 1.00 1.50 O ATOM 0 H SER A 33 -4.150 9.198 -22.198 1.00 0.56 H new ATOM 0 HA SER A 33 -4.186 6.244 -22.255 1.00 0.57 H new ATOM 0 HB2 SER A 33 -3.927 8.239 -19.947 1.00 0.68 H new ATOM 0 HB3 SER A 33 -3.548 6.530 -19.883 1.00 0.68 H new ATOM 0 HG SER A 33 -1.593 7.266 -20.420 1.00 1.50 H new ATOM 1054 N GLU A 34 -6.816 6.508 -22.088 1.00 0.43 N ATOM 1055 CA GLU A 34 -8.243 6.324 -21.674 1.00 0.39 C ATOM 1056 C GLU A 34 -8.437 4.950 -21.029 1.00 0.39 C ATOM 1057 O GLU A 34 -8.922 4.834 -19.922 1.00 0.51 O ATOM 1058 CB GLU A 34 -9.149 6.423 -22.903 1.00 0.36 C ATOM 1059 CG GLU A 34 -9.035 7.820 -23.514 1.00 0.50 C ATOM 1060 CD GLU A 34 -9.895 7.899 -24.779 1.00 0.53 C ATOM 1061 OE1 GLU A 34 -9.389 7.561 -25.836 1.00 0.83 O ATOM 1062 OE2 GLU A 34 -11.042 8.299 -24.668 1.00 0.71 O ATOM 0 H GLU A 34 -6.609 6.247 -23.052 1.00 0.43 H new ATOM 0 HA GLU A 34 -8.499 7.101 -20.954 1.00 0.39 H new ATOM 0 HB2 GLU A 34 -8.865 5.670 -23.638 1.00 0.36 H new ATOM 0 HB3 GLU A 34 -10.183 6.221 -22.622 1.00 0.36 H new ATOM 0 HG2 GLU A 34 -9.360 8.571 -22.794 1.00 0.50 H new ATOM 0 HG3 GLU A 34 -7.995 8.039 -23.755 1.00 0.50 H new ATOM 1069 N ILE A 35 -8.086 3.907 -21.730 1.00 0.35 N ATOM 1070 CA ILE A 35 -8.273 2.535 -21.177 1.00 0.39 C ATOM 1071 C ILE A 35 -7.775 2.476 -19.726 1.00 0.45 C ATOM 1072 O ILE A 35 -8.133 1.585 -18.981 1.00 0.59 O ATOM 1073 CB ILE A 35 -7.544 1.520 -22.092 1.00 0.39 C ATOM 1074 CG1 ILE A 35 -7.260 0.189 -21.350 1.00 0.64 C ATOM 1075 CG2 ILE A 35 -6.238 2.127 -22.613 1.00 0.48 C ATOM 1076 CD1 ILE A 35 -5.966 0.240 -20.507 1.00 0.55 C ATOM 0 H ILE A 35 -7.677 3.945 -22.664 1.00 0.35 H new ATOM 0 HA ILE A 35 -9.331 2.275 -21.158 1.00 0.39 H new ATOM 0 HB ILE A 35 -8.198 1.297 -22.935 1.00 0.39 H new ATOM 0 HG12 ILE A 35 -8.103 -0.047 -20.700 1.00 0.64 H new ATOM 0 HG13 ILE A 35 -7.183 -0.619 -22.078 1.00 0.64 H new ATOM 0 HG21 ILE A 35 -5.732 1.406 -23.255 1.00 0.48 H new ATOM 0 HG22 ILE A 35 -6.458 3.029 -23.183 1.00 0.48 H new ATOM 0 HG23 ILE A 35 -5.592 2.378 -21.771 1.00 0.48 H new ATOM 0 HD11 ILE A 35 -5.818 -0.719 -20.010 1.00 0.55 H new ATOM 0 HD12 ILE A 35 -5.116 0.447 -21.157 1.00 0.55 H new ATOM 0 HD13 ILE A 35 -6.050 1.028 -19.758 1.00 0.55 H new ATOM 1088 N SER A 36 -6.963 3.412 -19.309 1.00 0.43 N ATOM 1089 CA SER A 36 -6.471 3.382 -17.899 1.00 0.52 C ATOM 1090 C SER A 36 -7.560 3.913 -16.959 1.00 0.59 C ATOM 1091 O SER A 36 -8.007 3.224 -16.063 1.00 0.69 O ATOM 1092 CB SER A 36 -5.222 4.253 -17.774 1.00 0.56 C ATOM 1093 OG SER A 36 -4.232 3.783 -18.680 1.00 0.59 O ATOM 0 H SER A 36 -6.622 4.188 -19.876 1.00 0.43 H new ATOM 0 HA SER A 36 -6.228 2.355 -17.626 1.00 0.52 H new ATOM 0 HB2 SER A 36 -5.466 5.293 -17.991 1.00 0.56 H new ATOM 0 HB3 SER A 36 -4.842 4.221 -16.753 1.00 0.56 H new ATOM 0 HG SER A 36 -3.341 3.988 -18.326 1.00 0.59 H new ATOM 1099 N LYS A 37 -7.988 5.132 -17.153 1.00 0.62 N ATOM 1100 CA LYS A 37 -9.046 5.704 -16.268 1.00 0.73 C ATOM 1101 C LYS A 37 -10.341 4.903 -16.432 1.00 0.71 C ATOM 1102 O LYS A 37 -11.136 4.792 -15.517 1.00 0.80 O ATOM 1103 CB LYS A 37 -9.307 7.164 -16.656 1.00 0.83 C ATOM 1104 CG LYS A 37 -8.155 8.051 -16.168 1.00 1.04 C ATOM 1105 CD LYS A 37 -6.865 7.703 -16.925 1.00 1.10 C ATOM 1106 CE LYS A 37 -5.879 8.874 -16.842 1.00 1.31 C ATOM 1107 NZ LYS A 37 -6.000 9.533 -15.511 1.00 1.53 N ATOM 0 H LYS A 37 -7.651 5.757 -17.886 1.00 0.62 H new ATOM 0 HA LYS A 37 -8.712 5.654 -15.232 1.00 0.73 H new ATOM 0 HB2 LYS A 37 -9.409 7.249 -17.738 1.00 0.83 H new ATOM 0 HB3 LYS A 37 -10.247 7.502 -16.220 1.00 0.83 H new ATOM 0 HG2 LYS A 37 -8.404 9.101 -16.321 1.00 1.04 H new ATOM 0 HG3 LYS A 37 -8.007 7.912 -15.097 1.00 1.04 H new ATOM 0 HD2 LYS A 37 -6.414 6.806 -16.500 1.00 1.10 H new ATOM 0 HD3 LYS A 37 -7.093 7.482 -17.968 1.00 1.10 H new ATOM 0 HE2 LYS A 37 -4.860 8.517 -16.991 1.00 1.31 H new ATOM 0 HE3 LYS A 37 -6.084 9.593 -17.635 1.00 1.31 H new ATOM 0 HZ1 LYS A 37 -5.139 10.083 -15.316 1.00 1.53 H new ATOM 0 HZ2 LYS A 37 -6.824 10.168 -15.512 1.00 1.53 H new ATOM 0 HZ3 LYS A 37 -6.122 8.809 -14.775 1.00 1.53 H new ATOM 1121 N GLN A 38 -10.564 4.349 -17.591 1.00 0.65 N ATOM 1122 CA GLN A 38 -11.811 3.566 -17.807 1.00 0.67 C ATOM 1123 C GLN A 38 -11.790 2.323 -16.918 1.00 0.65 C ATOM 1124 O GLN A 38 -12.771 1.990 -16.284 1.00 0.79 O ATOM 1125 CB GLN A 38 -11.916 3.161 -19.280 1.00 0.66 C ATOM 1126 CG GLN A 38 -12.176 4.404 -20.138 1.00 0.71 C ATOM 1127 CD GLN A 38 -13.581 4.941 -19.854 1.00 0.79 C ATOM 1128 OE1 GLN A 38 -13.752 5.823 -19.037 1.00 1.00 O ATOM 1129 NE2 GLN A 38 -14.601 4.441 -20.497 1.00 0.91 N ATOM 0 H GLN A 38 -9.939 4.404 -18.395 1.00 0.65 H new ATOM 0 HA GLN A 38 -12.676 4.176 -17.547 1.00 0.67 H new ATOM 0 HB2 GLN A 38 -10.996 2.672 -19.600 1.00 0.66 H new ATOM 0 HB3 GLN A 38 -12.723 2.440 -19.413 1.00 0.66 H new ATOM 0 HG2 GLN A 38 -11.432 5.170 -19.920 1.00 0.71 H new ATOM 0 HG3 GLN A 38 -12.078 4.156 -21.195 1.00 0.71 H new ATOM 0 HE21 GLN A 38 -14.458 3.700 -21.183 1.00 0.91 H new ATOM 0 HE22 GLN A 38 -15.541 4.791 -20.313 1.00 0.91 H new ATOM 1138 N LEU A 39 -10.680 1.638 -16.846 1.00 0.55 N ATOM 1139 CA LEU A 39 -10.623 0.431 -15.973 1.00 0.56 C ATOM 1140 C LEU A 39 -10.975 0.858 -14.552 1.00 0.63 C ATOM 1141 O LEU A 39 -11.599 0.129 -13.809 1.00 0.72 O ATOM 1142 CB LEU A 39 -9.214 -0.180 -16.002 1.00 0.50 C ATOM 1143 CG LEU A 39 -9.035 -1.018 -17.276 1.00 0.51 C ATOM 1144 CD1 LEU A 39 -7.561 -1.419 -17.420 1.00 0.67 C ATOM 1145 CD2 LEU A 39 -9.922 -2.284 -17.228 1.00 0.52 C ATOM 0 H LEU A 39 -9.820 1.859 -17.348 1.00 0.55 H new ATOM 0 HA LEU A 39 -11.327 -0.321 -16.329 1.00 0.56 H new ATOM 0 HB2 LEU A 39 -8.464 0.611 -15.968 1.00 0.50 H new ATOM 0 HB3 LEU A 39 -9.060 -0.804 -15.121 1.00 0.50 H new ATOM 0 HG LEU A 39 -9.338 -0.420 -18.135 1.00 0.51 H new ATOM 0 HD11 LEU A 39 -7.432 -2.014 -18.324 1.00 0.67 H new ATOM 0 HD12 LEU A 39 -6.945 -0.522 -17.485 1.00 0.67 H new ATOM 0 HD13 LEU A 39 -7.257 -2.006 -16.553 1.00 0.67 H new ATOM 0 HD21 LEU A 39 -9.779 -2.863 -18.140 1.00 0.52 H new ATOM 0 HD22 LEU A 39 -9.644 -2.891 -16.366 1.00 0.52 H new ATOM 0 HD23 LEU A 39 -10.969 -1.992 -17.144 1.00 0.52 H new ATOM 1157 N GLY A 40 -10.602 2.047 -14.170 1.00 0.66 N ATOM 1158 CA GLY A 40 -10.948 2.518 -12.804 1.00 0.77 C ATOM 1159 C GLY A 40 -12.456 2.357 -12.616 1.00 0.79 C ATOM 1160 O GLY A 40 -12.922 1.862 -11.609 1.00 0.85 O ATOM 0 H GLY A 40 -10.076 2.708 -14.741 1.00 0.66 H new ATOM 0 HA2 GLY A 40 -10.407 1.941 -12.054 1.00 0.77 H new ATOM 0 HA3 GLY A 40 -10.657 3.561 -12.675 1.00 0.77 H new ATOM 1164 N TYR A 41 -13.220 2.765 -13.595 1.00 0.81 N ATOM 1165 CA TYR A 41 -14.701 2.633 -13.500 1.00 0.89 C ATOM 1166 C TYR A 41 -15.080 1.145 -13.414 1.00 0.86 C ATOM 1167 O TYR A 41 -16.014 0.775 -12.730 1.00 0.94 O ATOM 1168 CB TYR A 41 -15.345 3.281 -14.740 1.00 1.00 C ATOM 1169 CG TYR A 41 -16.768 2.792 -14.918 1.00 1.02 C ATOM 1170 CD1 TYR A 41 -17.819 3.431 -14.249 1.00 1.19 C ATOM 1171 CD2 TYR A 41 -17.029 1.697 -15.751 1.00 0.93 C ATOM 1172 CE1 TYR A 41 -19.133 2.974 -14.413 1.00 1.28 C ATOM 1173 CE2 TYR A 41 -18.344 1.241 -15.914 1.00 1.00 C ATOM 1174 CZ TYR A 41 -19.396 1.881 -15.246 1.00 1.18 C ATOM 1175 OH TYR A 41 -20.691 1.431 -15.407 1.00 1.31 O ATOM 0 H TYR A 41 -12.879 3.186 -14.459 1.00 0.81 H new ATOM 0 HA TYR A 41 -15.064 3.138 -12.605 1.00 0.89 H new ATOM 0 HB2 TYR A 41 -15.338 4.366 -14.635 1.00 1.00 H new ATOM 0 HB3 TYR A 41 -14.759 3.043 -15.628 1.00 1.00 H new ATOM 0 HD1 TYR A 41 -17.617 4.276 -13.607 1.00 1.19 H new ATOM 0 HD2 TYR A 41 -16.218 1.205 -16.267 1.00 0.93 H new ATOM 0 HE1 TYR A 41 -19.944 3.466 -13.896 1.00 1.28 H new ATOM 0 HE2 TYR A 41 -18.547 0.396 -16.555 1.00 1.00 H new ATOM 0 HH TYR A 41 -20.698 0.666 -16.019 1.00 1.31 H new ATOM 1185 N GLN A 42 -14.370 0.289 -14.103 1.00 0.83 N ATOM 1186 CA GLN A 42 -14.706 -1.166 -14.055 1.00 0.82 C ATOM 1187 C GLN A 42 -14.528 -1.673 -12.622 1.00 0.80 C ATOM 1188 O GLN A 42 -15.178 -2.606 -12.193 1.00 0.80 O ATOM 1189 CB GLN A 42 -13.774 -1.937 -15.001 1.00 0.79 C ATOM 1190 CG GLN A 42 -14.197 -1.702 -16.463 1.00 1.12 C ATOM 1191 CD GLN A 42 -15.306 -2.684 -16.854 1.00 1.07 C ATOM 1192 OE1 GLN A 42 -16.436 -2.291 -17.065 1.00 1.35 O ATOM 1193 NE2 GLN A 42 -15.023 -3.952 -16.961 1.00 1.06 N ATOM 0 H GLN A 42 -13.576 0.533 -14.694 1.00 0.83 H new ATOM 0 HA GLN A 42 -15.739 -1.319 -14.369 1.00 0.82 H new ATOM 0 HB2 GLN A 42 -12.744 -1.612 -14.855 1.00 0.79 H new ATOM 0 HB3 GLN A 42 -13.808 -3.002 -14.770 1.00 0.79 H new ATOM 0 HG2 GLN A 42 -14.547 -0.677 -16.588 1.00 1.12 H new ATOM 0 HG3 GLN A 42 -13.339 -1.829 -17.123 1.00 1.12 H new ATOM 0 HE21 GLN A 42 -14.073 -4.279 -16.783 1.00 1.06 H new ATOM 0 HE22 GLN A 42 -15.751 -4.617 -17.222 1.00 1.06 H new ATOM 1202 N TRP A 43 -13.662 -1.049 -11.876 1.00 0.79 N ATOM 1203 CA TRP A 43 -13.440 -1.459 -10.462 1.00 0.78 C ATOM 1204 C TRP A 43 -14.652 -1.044 -9.630 1.00 0.81 C ATOM 1205 O TRP A 43 -15.142 -1.803 -8.818 1.00 0.85 O ATOM 1206 CB TRP A 43 -12.165 -0.791 -9.957 1.00 0.75 C ATOM 1207 CG TRP A 43 -11.006 -1.090 -10.884 1.00 0.69 C ATOM 1208 CD1 TRP A 43 -9.857 -0.370 -10.906 1.00 0.68 C ATOM 1209 CD2 TRP A 43 -10.831 -2.151 -11.905 1.00 0.67 C ATOM 1210 NE1 TRP A 43 -9.009 -0.901 -11.857 1.00 0.65 N ATOM 1211 CE2 TRP A 43 -9.551 -1.989 -12.489 1.00 0.64 C ATOM 1212 CE3 TRP A 43 -11.625 -3.224 -12.388 1.00 0.71 C ATOM 1213 CZ2 TRP A 43 -9.080 -2.838 -13.487 1.00 0.64 C ATOM 1214 CZ3 TRP A 43 -11.147 -4.076 -13.393 1.00 0.72 C ATOM 1215 CH2 TRP A 43 -9.878 -3.887 -13.940 1.00 0.68 C ATOM 0 H TRP A 43 -13.092 -0.263 -12.189 1.00 0.79 H new ATOM 0 HA TRP A 43 -13.323 -2.540 -10.381 1.00 0.78 H new ATOM 0 HB2 TRP A 43 -12.315 0.286 -9.888 1.00 0.75 H new ATOM 0 HB3 TRP A 43 -11.935 -1.145 -8.952 1.00 0.75 H new ATOM 0 HD1 TRP A 43 -9.640 0.483 -10.280 1.00 0.68 H new ATOM 0 HE1 TRP A 43 -8.084 -0.526 -12.066 1.00 0.65 H new ATOM 0 HE3 TRP A 43 -12.610 -3.386 -11.976 1.00 0.71 H new ATOM 0 HZ2 TRP A 43 -8.098 -2.684 -13.909 1.00 0.64 H new ATOM 0 HZ3 TRP A 43 -11.767 -4.886 -13.747 1.00 0.72 H new ATOM 0 HH2 TRP A 43 -9.515 -4.551 -14.711 1.00 0.68 H new ATOM 1226 N LYS A 44 -15.171 0.131 -9.847 1.00 0.82 N ATOM 1227 CA LYS A 44 -16.381 0.544 -9.086 1.00 0.85 C ATOM 1228 C LYS A 44 -17.554 -0.313 -9.566 1.00 0.83 C ATOM 1229 O LYS A 44 -18.612 -0.338 -8.970 1.00 0.88 O ATOM 1230 CB LYS A 44 -16.668 2.029 -9.342 1.00 0.90 C ATOM 1231 CG LYS A 44 -15.685 2.909 -8.511 1.00 1.07 C ATOM 1232 CD LYS A 44 -15.087 4.040 -9.370 1.00 1.06 C ATOM 1233 CE LYS A 44 -13.832 4.592 -8.688 1.00 1.04 C ATOM 1234 NZ LYS A 44 -14.202 5.225 -7.389 1.00 1.17 N ATOM 0 H LYS A 44 -14.814 0.817 -10.512 1.00 0.82 H new ATOM 0 HA LYS A 44 -16.229 0.403 -8.016 1.00 0.85 H new ATOM 0 HB2 LYS A 44 -16.561 2.252 -10.404 1.00 0.90 H new ATOM 0 HB3 LYS A 44 -17.697 2.262 -9.070 1.00 0.90 H new ATOM 0 HG2 LYS A 44 -16.209 3.336 -7.656 1.00 1.07 H new ATOM 0 HG3 LYS A 44 -14.883 2.287 -8.114 1.00 1.07 H new ATOM 0 HD2 LYS A 44 -14.839 3.664 -10.363 1.00 1.06 H new ATOM 0 HD3 LYS A 44 -15.820 4.835 -9.504 1.00 1.06 H new ATOM 0 HE2 LYS A 44 -13.114 3.789 -8.521 1.00 1.04 H new ATOM 0 HE3 LYS A 44 -13.347 5.323 -9.335 1.00 1.04 H new ATOM 0 HZ1 LYS A 44 -13.384 5.744 -7.010 1.00 1.17 H new ATOM 0 HZ2 LYS A 44 -14.993 5.884 -7.537 1.00 1.17 H new ATOM 0 HZ3 LYS A 44 -14.487 4.488 -6.713 1.00 1.17 H new ATOM 1248 N MET A 45 -17.352 -1.023 -10.647 1.00 0.81 N ATOM 1249 CA MET A 45 -18.421 -1.906 -11.203 1.00 0.82 C ATOM 1250 C MET A 45 -17.748 -3.116 -11.857 1.00 0.82 C ATOM 1251 O MET A 45 -17.648 -3.212 -13.063 1.00 0.91 O ATOM 1252 CB MET A 45 -19.237 -1.141 -12.256 1.00 0.87 C ATOM 1253 CG MET A 45 -20.019 0.005 -11.594 1.00 1.26 C ATOM 1254 SD MET A 45 -18.953 1.463 -11.460 1.00 1.74 S ATOM 1255 CE MET A 45 -20.133 2.535 -10.605 1.00 1.89 C ATOM 0 H MET A 45 -16.479 -1.028 -11.175 1.00 0.81 H new ATOM 0 HA MET A 45 -19.092 -2.227 -10.407 1.00 0.82 H new ATOM 0 HB2 MET A 45 -18.572 -0.742 -13.022 1.00 0.87 H new ATOM 0 HB3 MET A 45 -19.927 -1.821 -12.756 1.00 0.87 H new ATOM 0 HG2 MET A 45 -20.906 0.242 -12.182 1.00 1.26 H new ATOM 0 HG3 MET A 45 -20.364 -0.299 -10.606 1.00 1.26 H new ATOM 0 HE1 MET A 45 -19.674 3.506 -10.419 1.00 1.89 H new ATOM 0 HE2 MET A 45 -21.021 2.666 -11.224 1.00 1.89 H new ATOM 0 HE3 MET A 45 -20.416 2.080 -9.656 1.00 1.89 H new ATOM 1265 N LEU A 46 -17.271 -4.030 -11.059 1.00 0.88 N ATOM 1266 CA LEU A 46 -16.579 -5.230 -11.608 1.00 0.92 C ATOM 1267 C LEU A 46 -17.563 -6.093 -12.408 1.00 0.88 C ATOM 1268 O LEU A 46 -18.639 -6.422 -11.948 1.00 1.01 O ATOM 1269 CB LEU A 46 -16.016 -6.048 -10.441 1.00 1.02 C ATOM 1270 CG LEU A 46 -14.879 -5.272 -9.740 1.00 1.05 C ATOM 1271 CD1 LEU A 46 -14.728 -5.776 -8.301 1.00 0.95 C ATOM 1272 CD2 LEU A 46 -13.549 -5.521 -10.469 1.00 1.29 C ATOM 0 H LEU A 46 -17.331 -3.997 -10.041 1.00 0.88 H new ATOM 0 HA LEU A 46 -15.774 -4.913 -12.271 1.00 0.92 H new ATOM 0 HB2 LEU A 46 -16.809 -6.268 -9.727 1.00 1.02 H new ATOM 0 HB3 LEU A 46 -15.641 -7.004 -10.806 1.00 1.02 H new ATOM 0 HG LEU A 46 -15.123 -4.210 -9.752 1.00 1.05 H new ATOM 0 HD11 LEU A 46 -13.926 -5.229 -7.806 1.00 0.95 H new ATOM 0 HD12 LEU A 46 -15.662 -5.619 -7.761 1.00 0.95 H new ATOM 0 HD13 LEU A 46 -14.489 -6.839 -8.311 1.00 0.95 H new ATOM 0 HD21 LEU A 46 -12.752 -4.971 -9.969 1.00 1.29 H new ATOM 0 HD22 LEU A 46 -13.320 -6.586 -10.454 1.00 1.29 H new ATOM 0 HD23 LEU A 46 -13.631 -5.183 -11.502 1.00 1.29 H new ATOM 1284 N THR A 47 -17.194 -6.462 -13.605 1.00 0.80 N ATOM 1285 CA THR A 47 -18.091 -7.306 -14.446 1.00 0.78 C ATOM 1286 C THR A 47 -17.930 -8.782 -14.054 1.00 0.69 C ATOM 1287 O THR A 47 -16.846 -9.327 -14.088 1.00 0.66 O ATOM 1288 CB THR A 47 -17.712 -7.119 -15.917 1.00 0.83 C ATOM 1289 OG1 THR A 47 -16.299 -7.159 -16.049 1.00 0.90 O ATOM 1290 CG2 THR A 47 -18.233 -5.769 -16.411 1.00 0.91 C ATOM 0 H THR A 47 -16.305 -6.214 -14.039 1.00 0.80 H new ATOM 0 HA THR A 47 -19.128 -7.009 -14.292 1.00 0.78 H new ATOM 0 HB THR A 47 -18.156 -7.918 -16.511 1.00 0.83 H new ATOM 0 HG1 THR A 47 -16.062 -7.559 -16.912 1.00 0.90 H new ATOM 0 HG21 THR A 47 -17.963 -5.636 -17.459 1.00 0.91 H new ATOM 0 HG22 THR A 47 -19.318 -5.738 -16.309 1.00 0.91 H new ATOM 0 HG23 THR A 47 -17.790 -4.969 -15.818 1.00 0.91 H new ATOM 1298 N GLU A 48 -19.006 -9.430 -13.689 1.00 0.73 N ATOM 1299 CA GLU A 48 -18.929 -10.872 -13.293 1.00 0.69 C ATOM 1300 C GLU A 48 -18.440 -11.711 -14.474 1.00 0.64 C ATOM 1301 O GLU A 48 -17.733 -12.686 -14.306 1.00 0.62 O ATOM 1302 CB GLU A 48 -20.319 -11.360 -12.879 1.00 0.79 C ATOM 1303 CG GLU A 48 -20.863 -10.484 -11.748 1.00 0.85 C ATOM 1304 CD GLU A 48 -22.366 -10.727 -11.595 1.00 0.95 C ATOM 1305 OE1 GLU A 48 -22.729 -11.814 -11.178 1.00 1.07 O ATOM 1306 OE2 GLU A 48 -23.125 -9.824 -11.904 1.00 1.19 O ATOM 0 H GLU A 48 -19.940 -9.022 -13.647 1.00 0.73 H new ATOM 0 HA GLU A 48 -18.233 -10.976 -12.460 1.00 0.69 H new ATOM 0 HB2 GLU A 48 -20.995 -11.327 -13.733 1.00 0.79 H new ATOM 0 HB3 GLU A 48 -20.267 -12.399 -12.553 1.00 0.79 H new ATOM 0 HG2 GLU A 48 -20.349 -10.715 -10.815 1.00 0.85 H new ATOM 0 HG3 GLU A 48 -20.674 -9.433 -11.964 1.00 0.85 H new ATOM 1313 N ALA A 49 -18.822 -11.346 -15.664 1.00 0.67 N ATOM 1314 CA ALA A 49 -18.399 -12.122 -16.864 1.00 0.68 C ATOM 1315 C ALA A 49 -16.874 -12.222 -16.913 1.00 0.53 C ATOM 1316 O ALA A 49 -16.322 -13.129 -17.501 1.00 0.53 O ATOM 1317 CB ALA A 49 -18.891 -11.398 -18.117 1.00 0.83 C ATOM 0 H ALA A 49 -19.413 -10.538 -15.860 1.00 0.67 H new ATOM 0 HA ALA A 49 -18.822 -13.125 -16.814 1.00 0.68 H new ATOM 0 HB1 ALA A 49 -18.588 -11.956 -19.003 1.00 0.83 H new ATOM 0 HB2 ALA A 49 -19.978 -11.323 -18.090 1.00 0.83 H new ATOM 0 HB3 ALA A 49 -18.459 -10.398 -18.153 1.00 0.83 H new ATOM 1323 N GLU A 50 -16.193 -11.286 -16.312 1.00 0.52 N ATOM 1324 CA GLU A 50 -14.698 -11.297 -16.328 1.00 0.45 C ATOM 1325 C GLU A 50 -14.143 -11.806 -14.989 1.00 0.43 C ATOM 1326 O GLU A 50 -13.043 -12.308 -14.928 1.00 0.51 O ATOM 1327 CB GLU A 50 -14.198 -9.864 -16.569 1.00 0.51 C ATOM 1328 CG GLU A 50 -14.240 -9.529 -18.062 1.00 0.63 C ATOM 1329 CD GLU A 50 -15.692 -9.487 -18.540 1.00 0.71 C ATOM 1330 OE1 GLU A 50 -16.226 -10.541 -18.839 1.00 1.01 O ATOM 1331 OE2 GLU A 50 -16.243 -8.400 -18.601 1.00 0.89 O ATOM 0 H GLU A 50 -16.610 -10.505 -15.805 1.00 0.52 H new ATOM 0 HA GLU A 50 -14.356 -11.962 -17.121 1.00 0.45 H new ATOM 0 HB2 GLU A 50 -14.816 -9.158 -16.014 1.00 0.51 H new ATOM 0 HB3 GLU A 50 -13.180 -9.759 -16.195 1.00 0.51 H new ATOM 0 HG2 GLU A 50 -13.760 -8.567 -18.242 1.00 0.63 H new ATOM 0 HG3 GLU A 50 -13.682 -10.275 -18.628 1.00 0.63 H new ATOM 1338 N LYS A 51 -14.871 -11.653 -13.916 1.00 0.48 N ATOM 1339 CA LYS A 51 -14.337 -12.092 -12.586 1.00 0.55 C ATOM 1340 C LYS A 51 -14.129 -13.609 -12.530 1.00 0.55 C ATOM 1341 O LYS A 51 -13.035 -14.107 -12.696 1.00 0.62 O ATOM 1342 CB LYS A 51 -15.339 -11.728 -11.475 1.00 0.68 C ATOM 1343 CG LYS A 51 -15.354 -10.209 -11.211 1.00 0.68 C ATOM 1344 CD LYS A 51 -15.874 -9.920 -9.789 1.00 0.96 C ATOM 1345 CE LYS A 51 -17.386 -10.162 -9.723 1.00 1.18 C ATOM 1346 NZ LYS A 51 -18.092 -9.166 -10.579 1.00 1.43 N ATOM 0 H LYS A 51 -15.806 -11.246 -13.898 1.00 0.48 H new ATOM 0 HA LYS A 51 -13.382 -11.587 -12.444 1.00 0.55 H new ATOM 0 HB2 LYS A 51 -16.337 -12.060 -11.760 1.00 0.68 H new ATOM 0 HB3 LYS A 51 -15.077 -12.256 -10.558 1.00 0.68 H new ATOM 0 HG2 LYS A 51 -14.349 -9.802 -11.328 1.00 0.68 H new ATOM 0 HG3 LYS A 51 -15.987 -9.711 -11.946 1.00 0.68 H new ATOM 0 HD2 LYS A 51 -15.363 -10.560 -9.069 1.00 0.96 H new ATOM 0 HD3 LYS A 51 -15.650 -8.889 -9.514 1.00 0.96 H new ATOM 0 HE2 LYS A 51 -17.617 -11.173 -10.058 1.00 1.18 H new ATOM 0 HE3 LYS A 51 -17.732 -10.081 -8.693 1.00 1.18 H new ATOM 0 HZ1 LYS A 51 -19.110 -9.185 -10.366 1.00 1.43 H new ATOM 0 HZ2 LYS A 51 -17.716 -8.215 -10.388 1.00 1.43 H new ATOM 0 HZ3 LYS A 51 -17.943 -9.402 -11.581 1.00 1.43 H new ATOM 1360 N TRP A 52 -15.173 -14.326 -12.228 1.00 0.56 N ATOM 1361 CA TRP A 52 -15.078 -15.811 -12.072 1.00 0.61 C ATOM 1362 C TRP A 52 -14.061 -16.477 -13.044 1.00 0.59 C ATOM 1363 O TRP A 52 -13.184 -17.172 -12.571 1.00 0.64 O ATOM 1364 CB TRP A 52 -16.487 -16.420 -12.191 1.00 0.66 C ATOM 1365 CG TRP A 52 -16.412 -17.908 -12.295 1.00 0.78 C ATOM 1366 CD1 TRP A 52 -15.683 -18.710 -11.482 1.00 1.19 C ATOM 1367 CD2 TRP A 52 -17.086 -18.786 -13.240 1.00 1.13 C ATOM 1368 NE1 TRP A 52 -15.869 -20.024 -11.873 1.00 1.32 N ATOM 1369 CE2 TRP A 52 -16.722 -20.120 -12.951 1.00 1.28 C ATOM 1370 CE3 TRP A 52 -17.967 -18.557 -14.311 1.00 1.76 C ATOM 1371 CZ2 TRP A 52 -17.212 -21.190 -13.693 1.00 1.73 C ATOM 1372 CZ3 TRP A 52 -18.465 -19.633 -15.064 1.00 2.33 C ATOM 1373 CH2 TRP A 52 -18.088 -20.948 -14.755 1.00 2.24 C ATOM 0 H TRP A 52 -16.107 -13.943 -12.079 1.00 0.56 H new ATOM 0 HA TRP A 52 -14.678 -16.019 -11.080 1.00 0.61 H new ATOM 0 HB2 TRP A 52 -17.084 -16.141 -11.323 1.00 0.66 H new ATOM 0 HB3 TRP A 52 -16.991 -16.014 -13.068 1.00 0.66 H new ATOM 0 HD1 TRP A 52 -15.060 -18.379 -10.664 1.00 1.19 H new ATOM 0 HE1 TRP A 52 -15.429 -20.824 -11.419 1.00 1.32 H new ATOM 0 HE3 TRP A 52 -18.263 -17.548 -14.556 1.00 1.76 H new ATOM 0 HZ2 TRP A 52 -16.918 -22.200 -13.450 1.00 1.73 H new ATOM 0 HZ3 TRP A 52 -19.142 -19.447 -15.885 1.00 2.33 H new ATOM 0 HH2 TRP A 52 -18.474 -21.772 -15.337 1.00 2.24 H new ATOM 1384 N PRO A 53 -14.172 -16.291 -14.350 1.00 0.56 N ATOM 1385 CA PRO A 53 -13.224 -16.933 -15.292 1.00 0.59 C ATOM 1386 C PRO A 53 -11.742 -16.882 -14.834 1.00 0.52 C ATOM 1387 O PRO A 53 -11.132 -17.912 -14.623 1.00 0.57 O ATOM 1388 CB PRO A 53 -13.425 -16.181 -16.629 1.00 0.63 C ATOM 1389 CG PRO A 53 -14.653 -15.241 -16.450 1.00 0.61 C ATOM 1390 CD PRO A 53 -15.207 -15.465 -15.025 1.00 0.57 C ATOM 0 HA PRO A 53 -13.432 -18.000 -15.366 1.00 0.59 H new ATOM 0 HB2 PRO A 53 -12.535 -15.606 -16.884 1.00 0.63 H new ATOM 0 HB3 PRO A 53 -13.595 -16.885 -17.444 1.00 0.63 H new ATOM 0 HG2 PRO A 53 -14.362 -14.200 -16.589 1.00 0.61 H new ATOM 0 HG3 PRO A 53 -15.416 -15.461 -17.197 1.00 0.61 H new ATOM 0 HD2 PRO A 53 -15.361 -14.519 -14.506 1.00 0.57 H new ATOM 0 HD3 PRO A 53 -16.169 -15.976 -15.049 1.00 0.57 H new ATOM 1398 N PHE A 54 -11.130 -15.721 -14.752102.11 0.49 N ATOM 1399 CA PHE A 54 -9.665 -15.679 -14.396102.11 0.46 C ATOM 1400 C PHE A 54 -9.372 -15.834 -12.893102.11 0.50 C ATOM 1401 O PHE A 54 -8.246 -16.105 -12.527102.11 0.57 O ATOM 1402 CB PHE A 54 -9.022 -14.381 -14.917102.11 0.44 C ATOM 1403 CG PHE A 54 -9.522 -13.165 -14.164102.11 0.35 C ATOM 1404 CD1 PHE A 54 -9.061 -12.887 -12.867102.11 0.43 C ATOM 1405 CD2 PHE A 54 -10.437 -12.298 -14.775102.11 0.37 C ATOM 1406 CE1 PHE A 54 -9.518 -11.749 -12.190102.11 0.46 C ATOM 1407 CE2 PHE A 54 -10.891 -11.163 -14.096102.11 0.44 C ATOM 1408 CZ PHE A 54 -10.433 -10.888 -12.807102.11 0.45 C ATOM 0 H PHE A 54 -11.569 -14.814 -14.912102.11 0.49 H new ATOM 0 HA PHE A 54 -9.223 -16.548 -14.885102.11 0.46 H new ATOM 0 HB2 PHE A 54 -7.938 -14.448 -14.821102.11 0.44 H new ATOM 0 HB3 PHE A 54 -9.241 -14.267 -15.979102.11 0.44 H new ATOM 0 HD1 PHE A 54 -8.354 -13.551 -12.391102.11 0.43 H new ATOM 0 HD2 PHE A 54 -10.793 -12.507 -15.773102.11 0.37 H new ATOM 0 HE1 PHE A 54 -9.164 -11.536 -11.192102.11 0.46 H new ATOM 0 HE2 PHE A 54 -11.598 -10.498 -14.570102.11 0.44 H new ATOM 0 HZ PHE A 54 -10.785 -10.010 -12.285102.11 0.45 H new ATOM 1418 N PHE A 55 -10.314 -15.658 -12.008 1.00 0.54 N ATOM 1419 CA PHE A 55 -9.952 -15.799 -10.560 1.00 0.63 C ATOM 1420 C PHE A 55 -9.546 -17.248 -10.256 1.00 0.65 C ATOM 1421 O PHE A 55 -8.686 -17.489 -9.431 1.00 0.76 O ATOM 1422 CB PHE A 55 -11.130 -15.371 -9.652 1.00 0.72 C ATOM 1423 CG PHE A 55 -11.016 -13.898 -9.297 1.00 0.76 C ATOM 1424 CD1 PHE A 55 -9.988 -13.464 -8.451 1.00 0.93 C ATOM 1425 CD2 PHE A 55 -11.928 -12.972 -9.811 1.00 0.78 C ATOM 1426 CE1 PHE A 55 -9.877 -12.107 -8.121 1.00 1.06 C ATOM 1427 CE2 PHE A 55 -11.819 -11.616 -9.483 1.00 0.89 C ATOM 1428 CZ PHE A 55 -10.793 -11.183 -8.637 1.00 1.01 C ATOM 0 H PHE A 55 -11.288 -15.430 -12.209 1.00 0.54 H new ATOM 0 HA PHE A 55 -9.107 -15.143 -10.353 1.00 0.63 H new ATOM 0 HB2 PHE A 55 -12.076 -15.557 -10.161 1.00 0.72 H new ATOM 0 HB3 PHE A 55 -11.134 -15.972 -8.743 1.00 0.72 H new ATOM 0 HD1 PHE A 55 -9.280 -14.176 -8.053 1.00 0.93 H new ATOM 0 HD2 PHE A 55 -12.721 -13.305 -10.465 1.00 0.78 H new ATOM 0 HE1 PHE A 55 -9.084 -11.774 -7.468 1.00 1.06 H new ATOM 0 HE2 PHE A 55 -12.526 -10.905 -9.883 1.00 0.89 H new ATOM 0 HZ PHE A 55 -10.708 -10.137 -8.382 1.00 1.01 H new ATOM 1438 N GLN A 56 -10.131 -18.213 -10.904 1.00 0.67 N ATOM 1439 CA GLN A 56 -9.731 -19.623 -10.621 1.00 0.76 C ATOM 1440 C GLN A 56 -8.222 -19.758 -10.835 1.00 0.70 C ATOM 1441 O GLN A 56 -7.500 -20.258 -9.996 1.00 0.79 O ATOM 1442 CB GLN A 56 -10.452 -20.581 -11.571 1.00 0.93 C ATOM 1443 CG GLN A 56 -11.962 -20.336 -11.519 1.00 1.29 C ATOM 1444 CD GLN A 56 -12.629 -21.047 -12.698 1.00 1.96 C ATOM 1445 OE1 GLN A 56 -13.047 -22.181 -12.580 1.00 2.07 O ATOM 1446 NE2 GLN A 56 -12.747 -20.424 -13.837 1.00 2.96 N ATOM 0 H GLN A 56 -10.859 -18.093 -11.608 1.00 0.67 H new ATOM 0 HA GLN A 56 -9.998 -19.872 -9.594 1.00 0.76 H new ATOM 0 HB2 GLN A 56 -10.088 -20.439 -12.588 1.00 0.93 H new ATOM 0 HB3 GLN A 56 -10.233 -21.613 -11.295 1.00 0.93 H new ATOM 0 HG2 GLN A 56 -12.370 -20.706 -10.578 1.00 1.29 H new ATOM 0 HG3 GLN A 56 -12.170 -19.267 -11.559 1.00 1.29 H new ATOM 0 HE21 GLN A 56 -12.396 -19.471 -13.936 1.00 2.96 H new ATOM 0 HE22 GLN A 56 -13.190 -20.889 -14.629 1.00 2.96 H new ATOM 1455 N GLU A 57 -7.749 -19.323 -11.968 1.00 0.68 N ATOM 1456 CA GLU A 57 -6.293 -19.420 -12.271 1.00 0.69 C ATOM 1457 C GLU A 57 -5.501 -18.461 -11.374 1.00 0.63 C ATOM 1458 O GLU A 57 -4.630 -18.867 -10.633 1.00 0.73 O ATOM 1459 CB GLU A 57 -6.070 -19.054 -13.744 1.00 0.75 C ATOM 1460 CG GLU A 57 -4.574 -18.890 -14.031 1.00 0.89 C ATOM 1461 CD GLU A 57 -4.358 -18.750 -15.539 1.00 0.81 C ATOM 1462 OE1 GLU A 57 -5.214 -19.192 -16.286 1.00 1.10 O ATOM 1463 OE2 GLU A 57 -3.339 -18.197 -15.922 1.00 1.33 O ATOM 0 H GLU A 57 -8.313 -18.900 -12.705 1.00 0.68 H new ATOM 0 HA GLU A 57 -5.948 -20.437 -12.083 1.00 0.69 H new ATOM 0 HB2 GLU A 57 -6.487 -19.830 -14.386 1.00 0.75 H new ATOM 0 HB3 GLU A 57 -6.596 -18.129 -13.979 1.00 0.75 H new ATOM 0 HG2 GLU A 57 -4.188 -18.012 -13.514 1.00 0.89 H new ATOM 0 HG3 GLU A 57 -4.023 -19.751 -13.652 1.00 0.89 H new ATOM 1470 N ALA A 58 -5.780 -17.185 -11.460 1.00 0.58 N ATOM 1471 CA ALA A 58 -5.021 -16.192 -10.645 1.00 0.63 C ATOM 1472 C ALA A 58 -4.871 -16.689 -9.206 1.00 0.67 C ATOM 1473 O ALA A 58 -3.969 -16.293 -8.496 1.00 0.74 O ATOM 1474 CB ALA A 58 -5.764 -14.857 -10.652 1.00 0.69 C ATOM 0 H ALA A 58 -6.502 -16.789 -12.061 1.00 0.58 H new ATOM 0 HA ALA A 58 -4.028 -16.063 -11.076 1.00 0.63 H new ATOM 0 HB1 ALA A 58 -5.211 -14.130 -10.057 1.00 0.69 H new ATOM 0 HB2 ALA A 58 -5.853 -14.495 -11.676 1.00 0.69 H new ATOM 0 HB3 ALA A 58 -6.759 -14.992 -10.227 1.00 0.69 H new ATOM 1480 N GLN A 59 -5.737 -17.560 -8.769 1.00 0.70 N ATOM 1481 CA GLN A 59 -5.619 -18.077 -7.377 1.00 0.78 C ATOM 1482 C GLN A 59 -4.396 -18.998 -7.268 1.00 0.77 C ATOM 1483 O GLN A 59 -3.555 -18.817 -6.411 1.00 0.82 O ATOM 1484 CB GLN A 59 -6.894 -18.852 -6.995 1.00 0.90 C ATOM 1485 CG GLN A 59 -8.000 -17.874 -6.566 1.00 1.62 C ATOM 1486 CD GLN A 59 -7.785 -17.463 -5.103 1.00 1.47 C ATOM 1487 OE1 GLN A 59 -7.869 -18.282 -4.210 1.00 2.30 O ATOM 1488 NE2 GLN A 59 -7.506 -16.219 -4.822 1.00 1.02 N ATOM 0 H GLN A 59 -6.516 -17.934 -9.311 1.00 0.70 H new ATOM 0 HA GLN A 59 -5.497 -17.237 -6.693 1.00 0.78 H new ATOM 0 HB2 GLN A 59 -7.234 -19.448 -7.842 1.00 0.90 H new ATOM 0 HB3 GLN A 59 -6.677 -19.546 -6.183 1.00 0.90 H new ATOM 0 HG2 GLN A 59 -7.989 -16.993 -7.207 1.00 1.62 H new ATOM 0 HG3 GLN A 59 -8.978 -18.341 -6.683 1.00 1.62 H new ATOM 0 HE21 GLN A 59 -7.435 -15.530 -5.571 1.00 1.02 H new ATOM 0 HE22 GLN A 59 -7.359 -15.936 -3.853 1.00 1.02 H new ATOM 1497 N LYS A 60 -4.287 -19.990 -8.115 1.00 0.80 N ATOM 1498 CA LYS A 60 -3.112 -20.908 -8.022 1.00 0.84 C ATOM 1499 C LYS A 60 -1.808 -20.147 -8.330 1.00 0.77 C ATOM 1500 O LYS A 60 -0.820 -20.313 -7.645 1.00 0.82 O ATOM 1501 CB LYS A 60 -3.289 -22.107 -8.973 1.00 1.01 C ATOM 1502 CG LYS A 60 -3.908 -21.657 -10.298 1.00 0.77 C ATOM 1503 CD LYS A 60 -3.889 -22.823 -11.303 1.00 0.77 C ATOM 1504 CE LYS A 60 -4.837 -23.960 -10.849 1.00 0.83 C ATOM 1505 NZ LYS A 60 -4.031 -25.084 -10.290 1.00 1.31 N ATOM 0 H LYS A 60 -4.952 -20.202 -8.858 1.00 0.80 H new ATOM 0 HA LYS A 60 -3.048 -21.290 -7.003 1.00 0.84 H new ATOM 0 HB2 LYS A 60 -2.323 -22.577 -9.158 1.00 1.01 H new ATOM 0 HB3 LYS A 60 -3.925 -22.858 -8.505 1.00 1.01 H new ATOM 0 HG2 LYS A 60 -4.932 -21.321 -10.136 1.00 0.77 H new ATOM 0 HG3 LYS A 60 -3.354 -20.809 -10.700 1.00 0.77 H new ATOM 0 HD2 LYS A 60 -4.190 -22.465 -12.287 1.00 0.77 H new ATOM 0 HD3 LYS A 60 -2.874 -23.208 -11.400 1.00 0.77 H new ATOM 0 HE2 LYS A 60 -5.534 -23.589 -10.098 1.00 0.83 H new ATOM 0 HE3 LYS A 60 -5.433 -24.310 -11.692 1.00 0.83 H new ATOM 0 HZ1 LYS A 60 -4.666 -25.849 -9.985 1.00 1.31 H new ATOM 0 HZ2 LYS A 60 -3.383 -25.443 -11.020 1.00 1.31 H new ATOM 0 HZ3 LYS A 60 -3.481 -24.745 -9.475 1.00 1.31 H new ATOM 1519 N LEU A 61 -1.784 -19.307 -9.335 1.00 0.71 N ATOM 1520 CA LEU A 61 -0.520 -18.552 -9.637 1.00 0.69 C ATOM 1521 C LEU A 61 0.014 -17.896 -8.354 1.00 0.65 C ATOM 1522 O LEU A 61 1.047 -18.264 -7.831 1.00 0.71 O ATOM 1523 CB LEU A 61 -0.789 -17.441 -10.677 1.00 0.72 C ATOM 1524 CG LEU A 61 -0.783 -17.988 -12.120 1.00 0.77 C ATOM 1525 CD1 LEU A 61 0.647 -18.337 -12.567 1.00 0.86 C ATOM 1526 CD2 LEU A 61 -1.679 -19.224 -12.225 1.00 0.77 C ATOM 0 H LEU A 61 -2.571 -19.110 -9.954 1.00 0.71 H new ATOM 0 HA LEU A 61 0.211 -19.256 -10.034 1.00 0.69 H new ATOM 0 HB2 LEU A 61 -1.752 -16.975 -10.470 1.00 0.72 H new ATOM 0 HB3 LEU A 61 -0.032 -16.663 -10.581 1.00 0.72 H new ATOM 0 HG LEU A 61 -1.172 -17.211 -12.778 1.00 0.77 H new ATOM 0 HD11 LEU A 61 0.626 -18.721 -13.587 1.00 0.86 H new ATOM 0 HD12 LEU A 61 1.269 -17.443 -12.528 1.00 0.86 H new ATOM 0 HD13 LEU A 61 1.061 -19.096 -11.903 1.00 0.86 H new ATOM 0 HD21 LEU A 61 -1.664 -19.598 -13.249 1.00 0.77 H new ATOM 0 HD22 LEU A 61 -1.312 -19.998 -11.551 1.00 0.77 H new ATOM 0 HD23 LEU A 61 -2.700 -18.958 -11.951 1.00 0.77 H new ATOM 1538 N GLN A 62 -0.677 -16.905 -7.877 1.00 0.64 N ATOM 1539 CA GLN A 62 -0.229 -16.173 -6.658 1.00 0.66 C ATOM 1540 C GLN A 62 -0.068 -17.139 -5.470 1.00 0.73 C ATOM 1541 O GLN A 62 0.916 -17.099 -4.760 1.00 0.78 O ATOM 1542 CB GLN A 62 -1.284 -15.082 -6.351 1.00 0.76 C ATOM 1543 CG GLN A 62 -1.416 -14.832 -4.843 1.00 0.98 C ATOM 1544 CD GLN A 62 -2.245 -13.570 -4.601 1.00 0.95 C ATOM 1545 OE1 GLN A 62 -3.459 -13.609 -4.647 1.00 1.01 O ATOM 1546 NE2 GLN A 62 -1.637 -12.446 -4.342 1.00 1.34 N ATOM 0 H GLN A 62 -1.548 -16.563 -8.284 1.00 0.64 H new ATOM 0 HA GLN A 62 0.745 -15.714 -6.827 1.00 0.66 H new ATOM 0 HB2 GLN A 62 -1.005 -14.154 -6.851 1.00 0.76 H new ATOM 0 HB3 GLN A 62 -2.250 -15.385 -6.756 1.00 0.76 H new ATOM 0 HG2 GLN A 62 -1.890 -15.688 -4.363 1.00 0.98 H new ATOM 0 HG3 GLN A 62 -0.428 -14.722 -4.395 1.00 0.98 H new ATOM 0 HE21 GLN A 62 -0.618 -12.414 -4.304 1.00 1.34 H new ATOM 0 HE22 GLN A 62 -2.180 -11.598 -4.178 1.00 1.34 H new ATOM 1555 N ALA A 63 -1.033 -17.975 -5.233 1.00 0.81 N ATOM 1556 CA ALA A 63 -0.942 -18.909 -4.071 1.00 0.92 C ATOM 1557 C ALA A 63 0.332 -19.763 -4.153 1.00 0.89 C ATOM 1558 O ALA A 63 1.001 -19.985 -3.164 1.00 0.94 O ATOM 1559 CB ALA A 63 -2.166 -19.827 -4.061 1.00 1.04 C ATOM 0 H ALA A 63 -1.883 -18.056 -5.790 1.00 0.81 H new ATOM 0 HA ALA A 63 -0.907 -18.320 -3.155 1.00 0.92 H new ATOM 0 HB1 ALA A 63 -2.102 -20.510 -3.214 1.00 1.04 H new ATOM 0 HB2 ALA A 63 -3.071 -19.226 -3.975 1.00 1.04 H new ATOM 0 HB3 ALA A 63 -2.198 -20.400 -4.987 1.00 1.04 H new ATOM 1565 N MET A 64 0.663 -20.256 -5.311 1.00 0.88 N ATOM 1566 CA MET A 64 1.884 -21.111 -5.435 1.00 0.90 C ATOM 1567 C MET A 64 3.154 -20.284 -5.181 1.00 0.80 C ATOM 1568 O MET A 64 3.900 -20.524 -4.247 1.00 0.91 O ATOM 1569 CB MET A 64 1.953 -21.699 -6.854 1.00 0.92 C ATOM 1570 CG MET A 64 0.939 -22.837 -7.010 1.00 0.91 C ATOM 1571 SD MET A 64 1.260 -23.732 -8.554 1.00 1.07 S ATOM 1572 CE MET A 64 0.769 -22.424 -9.707 1.00 1.55 C ATOM 0 H MET A 64 0.146 -20.107 -6.178 1.00 0.88 H new ATOM 0 HA MET A 64 1.824 -21.909 -4.695 1.00 0.90 H new ATOM 0 HB2 MET A 64 1.750 -20.919 -7.588 1.00 0.92 H new ATOM 0 HB3 MET A 64 2.959 -22.070 -7.053 1.00 0.92 H new ATOM 0 HG2 MET A 64 1.009 -23.518 -6.162 1.00 0.91 H new ATOM 0 HG3 MET A 64 -0.075 -22.436 -7.014 1.00 0.91 H new ATOM 0 HE1 MET A 64 0.687 -22.837 -10.712 1.00 1.55 H new ATOM 0 HE2 MET A 64 -0.194 -22.014 -9.404 1.00 1.55 H new ATOM 0 HE3 MET A 64 1.518 -21.632 -9.700 1.00 1.55 H new ATOM 1582 N HIS A 65 3.419 -19.344 -6.036 0.22 0.64 N ATOM 1583 CA HIS A 65 4.654 -18.520 -5.910 0.22 0.55 C ATOM 1584 C HIS A 65 4.706 -17.766 -4.575 0.22 0.59 C ATOM 1585 O HIS A 65 5.769 -17.586 -4.014 0.22 0.64 O ATOM 1586 CB HIS A 65 4.695 -17.555 -7.091 0.22 0.50 C ATOM 1587 CG HIS A 65 4.472 -18.367 -8.337 0.22 0.47 C ATOM 1588 ND1 HIS A 65 3.835 -17.862 -9.458 0.22 0.77 N ATOM 1589 CD2 HIS A 65 4.771 -19.675 -8.634 0.22 1.30 C ATOM 1590 CE1 HIS A 65 3.765 -18.857 -10.365 0.22 0.59 C ATOM 1591 NE2 HIS A 65 4.323 -19.980 -9.912 0.22 1.25 N ATOM 0 H HIS A 65 2.825 -19.105 -6.830 0.22 0.64 H new ATOM 0 HA HIS A 65 5.529 -19.170 -5.923 0.22 0.55 H new ATOM 0 HB2 HIS A 65 3.927 -16.789 -6.989 0.22 0.50 H new ATOM 0 HB3 HIS A 65 5.655 -17.040 -7.134 0.22 0.50 H new ATOM 0 HD2 HIS A 65 5.278 -20.362 -7.973 0.22 1.30 H new ATOM 0 HE1 HIS A 65 3.312 -18.757 -11.340 0.22 0.59 H new ATOM 0 HE2 HIS A 65 4.403 -20.872 -10.400 0.22 1.25 H new ATOM 1599 N ARG A 66 3.598 -17.334 -4.040 1.00 0.63 N ATOM 1600 CA ARG A 66 3.672 -16.617 -2.733 1.00 0.73 C ATOM 1601 C ARG A 66 4.143 -17.600 -1.661 1.00 0.83 C ATOM 1602 O ARG A 66 4.865 -17.244 -0.750 1.00 0.86 O ATOM 1603 CB ARG A 66 2.300 -16.057 -2.335 1.00 0.82 C ATOM 1604 CG ARG A 66 2.469 -15.070 -1.159 1.00 1.30 C ATOM 1605 CD ARG A 66 1.170 -14.983 -0.350 1.00 1.27 C ATOM 1606 NE ARG A 66 1.314 -13.953 0.738 1.00 1.11 N ATOM 1607 CZ ARG A 66 2.246 -14.038 1.655 1.00 0.93 C ATOM 1608 NH1 ARG A 66 2.977 -15.113 1.762 1.00 1.01 N ATOM 1609 NH2 ARG A 66 2.415 -13.059 2.502 1.00 0.93 N ATOM 0 H ARG A 66 2.665 -17.441 -4.438 1.00 0.63 H new ATOM 0 HA ARG A 66 4.370 -15.785 -2.826 1.00 0.73 H new ATOM 0 HB2 ARG A 66 1.841 -15.552 -3.185 1.00 0.82 H new ATOM 0 HB3 ARG A 66 1.633 -16.870 -2.049 1.00 0.82 H new ATOM 0 HG2 ARG A 66 3.286 -15.396 -0.515 1.00 1.30 H new ATOM 0 HG3 ARG A 66 2.737 -14.084 -1.538 1.00 1.30 H new ATOM 0 HD2 ARG A 66 0.340 -14.719 -1.005 1.00 1.27 H new ATOM 0 HD3 ARG A 66 0.936 -15.955 0.085 1.00 1.27 H new ATOM 0 HE ARG A 66 0.667 -13.165 0.762 1.00 1.11 H new ATOM 0 HH11 ARG A 66 2.826 -15.898 1.128 1.00 1.01 H new ATOM 0 HH12 ARG A 66 3.700 -15.169 2.479 1.00 1.01 H new ATOM 0 HH21 ARG A 66 1.822 -12.231 2.449 1.00 0.93 H new ATOM 0 HH22 ARG A 66 3.140 -13.123 3.217 1.00 0.93 H new ATOM 1623 N GLU A 67 3.742 -18.837 -1.763 1.00 0.94 N ATOM 1624 CA GLU A 67 4.163 -19.846 -0.751 1.00 1.09 C ATOM 1625 C GLU A 67 5.641 -20.188 -0.955 1.00 1.01 C ATOM 1626 O GLU A 67 6.260 -20.823 -0.125 1.00 1.11 O ATOM 1627 CB GLU A 67 3.317 -21.116 -0.914 1.00 1.25 C ATOM 1628 CG GLU A 67 1.954 -20.921 -0.247 1.00 1.41 C ATOM 1629 CD GLU A 67 1.147 -22.218 -0.345 1.00 1.31 C ATOM 1630 OE1 GLU A 67 0.655 -22.504 -1.425 1.00 1.41 O ATOM 1631 OE2 GLU A 67 1.034 -22.901 0.659 1.00 1.48 O ATOM 0 H GLU A 67 3.140 -19.193 -2.505 1.00 0.94 H new ATOM 0 HA GLU A 67 4.020 -19.439 0.250 1.00 1.09 H new ATOM 0 HB2 GLU A 67 3.185 -21.343 -1.972 1.00 1.25 H new ATOM 0 HB3 GLU A 67 3.832 -21.967 -0.468 1.00 1.25 H new ATOM 0 HG2 GLU A 67 2.086 -20.640 0.798 1.00 1.41 H new ATOM 0 HG3 GLU A 67 1.414 -20.107 -0.730 1.00 1.41 H new ATOM 1638 N LYS A 68 6.213 -19.782 -2.056 1.00 0.89 N ATOM 1639 CA LYS A 68 7.653 -20.100 -2.305 1.00 0.85 C ATOM 1640 C LYS A 68 8.565 -19.064 -1.626 1.00 0.74 C ATOM 1641 O LYS A 68 9.690 -19.366 -1.280 1.00 0.85 O ATOM 1642 CB LYS A 68 7.911 -20.115 -3.816 1.00 0.85 C ATOM 1643 CG LYS A 68 7.360 -21.414 -4.414 1.00 0.91 C ATOM 1644 CD LYS A 68 7.670 -21.469 -5.912 1.00 1.11 C ATOM 1645 CE LYS A 68 6.957 -22.671 -6.539 1.00 1.16 C ATOM 1646 NZ LYS A 68 5.508 -22.632 -6.188 1.00 1.03 N ATOM 0 H LYS A 68 5.751 -19.247 -2.791 1.00 0.89 H new ATOM 0 HA LYS A 68 7.878 -21.079 -1.883 1.00 0.85 H new ATOM 0 HB2 LYS A 68 7.434 -19.255 -4.286 1.00 0.85 H new ATOM 0 HB3 LYS A 68 8.980 -20.035 -4.014 1.00 0.85 H new ATOM 0 HG2 LYS A 68 7.803 -22.273 -3.910 1.00 0.91 H new ATOM 0 HG3 LYS A 68 6.283 -21.471 -4.254 1.00 0.91 H new ATOM 0 HD2 LYS A 68 7.345 -20.548 -6.395 1.00 1.11 H new ATOM 0 HD3 LYS A 68 8.746 -21.549 -6.069 1.00 1.11 H new ATOM 0 HE2 LYS A 68 7.080 -22.655 -7.622 1.00 1.16 H new ATOM 0 HE3 LYS A 68 7.403 -23.599 -6.181 1.00 1.16 H new ATOM 0 HZ1 LYS A 68 4.966 -23.177 -6.889 1.00 1.03 H new ATOM 0 HZ2 LYS A 68 5.368 -23.046 -5.244 1.00 1.03 H new ATOM 0 HZ3 LYS A 68 5.178 -21.646 -6.186 1.00 1.03 H new ATOM 1660 N TYR A 69 8.102 -17.848 -1.425 30.93 0.67 N ATOM 1661 CA TYR A 69 8.965 -16.810 -0.758 30.93 0.61 C ATOM 1662 C TYR A 69 8.141 -15.965 0.239 30.93 0.57 C ATOM 1663 O TYR A 69 8.137 -14.753 0.142 30.93 0.64 O ATOM 1664 CB TYR A 69 9.531 -15.869 -1.823 30.93 0.73 C ATOM 1665 CG TYR A 69 10.273 -16.646 -2.883 30.93 0.86 C ATOM 1666 CD1 TYR A 69 9.570 -17.268 -3.918 30.93 0.97 C ATOM 1667 CD2 TYR A 69 11.669 -16.727 -2.839 30.93 1.05 C ATOM 1668 CE1 TYR A 69 10.262 -17.971 -4.911 30.93 1.20 C ATOM 1669 CE2 TYR A 69 12.362 -17.430 -3.829 30.93 1.24 C ATOM 1670 CZ TYR A 69 11.659 -18.052 -4.867 30.93 1.29 C ATOM 1671 OH TYR A 69 12.344 -18.745 -5.846 30.93 1.55 O ATOM 0 H TYR A 69 7.170 -17.530 -1.692 30.93 0.67 H new ATOM 0 HA TYR A 69 9.764 -17.323 -0.222 30.93 0.61 H new ATOM 0 HB2 TYR A 69 8.721 -15.302 -2.281 30.93 0.73 H new ATOM 0 HB3 TYR A 69 10.202 -15.147 -1.358 30.93 0.73 H new ATOM 0 HD1 TYR A 69 8.492 -17.206 -3.952 30.93 0.97 H new ATOM 0 HD2 TYR A 69 12.212 -16.246 -2.039 30.93 1.05 H new ATOM 0 HE1 TYR A 69 9.718 -18.451 -5.711 30.93 1.20 H new ATOM 0 HE2 TYR A 69 13.440 -17.493 -3.793 30.93 1.24 H new ATOM 0 HH TYR A 69 13.306 -18.701 -5.665 30.93 1.55 H new ATOM 1681 N PRO A 70 7.465 -16.606 1.166 1.66 0.57 N ATOM 1682 CA PRO A 70 6.629 -15.888 2.154 1.66 0.64 C ATOM 1683 C PRO A 70 7.474 -14.961 3.047 1.66 0.59 C ATOM 1684 O PRO A 70 7.132 -13.814 3.261 1.66 0.74 O ATOM 1685 CB PRO A 70 5.969 -17.006 2.996 1.66 0.76 C ATOM 1686 CG PRO A 70 6.656 -18.343 2.601 1.66 0.78 C ATOM 1687 CD PRO A 70 7.475 -18.076 1.321 1.66 0.66 C ATOM 0 HA PRO A 70 5.897 -15.243 1.668 1.66 0.64 H new ATOM 0 HB2 PRO A 70 6.093 -16.810 4.061 1.66 0.76 H new ATOM 0 HB3 PRO A 70 4.897 -17.052 2.803 1.66 0.76 H new ATOM 0 HG2 PRO A 70 7.303 -18.695 3.405 1.66 0.78 H new ATOM 0 HG3 PRO A 70 5.912 -19.121 2.426 1.66 0.78 H new ATOM 0 HD2 PRO A 70 8.492 -18.457 1.415 1.66 0.66 H new ATOM 0 HD3 PRO A 70 7.029 -18.568 0.456 1.66 0.66 H new ATOM 1695 N ASN A 71 8.541 -15.457 3.602 1.00 0.62 N ATOM 1696 CA ASN A 71 9.366 -14.610 4.515 1.00 0.59 C ATOM 1697 C ASN A 71 10.140 -13.542 3.741 1.00 0.58 C ATOM 1698 O ASN A 71 10.536 -12.538 4.298 1.00 0.70 O ATOM 1699 CB ASN A 71 10.358 -15.496 5.272 1.00 0.83 C ATOM 1700 CG ASN A 71 9.642 -16.741 5.794 1.00 0.77 C ATOM 1701 OD1 ASN A 71 10.214 -17.814 5.832 1.00 0.93 O ATOM 1702 ND2 ASN A 71 8.405 -16.646 6.201 1.00 0.86 N ATOM 0 H ASN A 71 8.880 -16.409 3.466 1.00 0.62 H new ATOM 0 HA ASN A 71 8.693 -14.110 5.211 1.00 0.59 H new ATOM 0 HB2 ASN A 71 11.178 -15.785 4.614 1.00 0.83 H new ATOM 0 HB3 ASN A 71 10.796 -14.942 6.102 1.00 0.83 H new ATOM 0 HD21 ASN A 71 7.918 -17.471 6.551 1.00 0.86 H new ATOM 0 HD22 ASN A 71 7.925 -15.746 6.169 1.00 0.86 H new ATOM 1709 N TYR A 72 10.381 -13.738 2.479 43.60 0.61 N ATOM 1710 CA TYR A 72 11.150 -12.713 1.721 43.60 0.81 C ATOM 1711 C TYR A 72 10.311 -11.446 1.525 43.60 1.03 C ATOM 1712 O TYR A 72 9.279 -11.473 0.885 43.60 1.24 O ATOM 1713 CB TYR A 72 11.549 -13.274 0.358 43.60 0.84 C ATOM 1714 CG TYR A 72 12.682 -12.451 -0.217 43.60 1.12 C ATOM 1715 CD1 TYR A 72 14.011 -12.776 0.085 43.60 1.37 C ATOM 1716 CD2 TYR A 72 12.398 -11.358 -1.046 43.60 1.28 C ATOM 1717 CE1 TYR A 72 15.056 -12.008 -0.443 43.60 1.69 C ATOM 1718 CE2 TYR A 72 13.443 -10.591 -1.574 43.60 1.62 C ATOM 1719 CZ TYR A 72 14.772 -10.915 -1.273 43.60 1.79 C ATOM 1720 OH TYR A 72 15.802 -10.155 -1.793 43.60 2.15 O ATOM 0 H TYR A 72 10.084 -14.553 1.942 43.60 0.61 H new ATOM 0 HA TYR A 72 12.044 -12.458 2.290 43.60 0.81 H new ATOM 0 HB2 TYR A 72 11.856 -14.315 0.458 43.60 0.84 H new ATOM 0 HB3 TYR A 72 10.694 -13.257 -0.318 43.60 0.84 H new ATOM 0 HD1 TYR A 72 14.229 -13.618 0.725 43.60 1.37 H new ATOM 0 HD2 TYR A 72 11.373 -11.107 -1.278 43.60 1.28 H new ATOM 0 HE1 TYR A 72 16.081 -12.258 -0.211 43.60 1.69 H new ATOM 0 HE2 TYR A 72 13.224 -9.749 -2.214 43.60 1.62 H new ATOM 0 HH TYR A 72 15.431 -9.437 -2.348 43.60 2.15 H new ATOM 1730 N LYS A 73 10.765 -10.332 2.048 1.00 1.06 N ATOM 1731 CA LYS A 73 10.022 -9.040 1.873 1.00 1.34 C ATOM 1732 C LYS A 73 10.907 -8.083 1.073 1.00 1.50 C ATOM 1733 O LYS A 73 12.112 -8.069 1.224 1.00 1.58 O ATOM 1734 CB LYS A 73 9.699 -8.425 3.245 1.00 1.51 C ATOM 1735 CG LYS A 73 8.556 -9.213 3.919 1.00 1.47 C ATOM 1736 CD LYS A 73 7.911 -8.394 5.065 1.00 1.61 C ATOM 1737 CE LYS A 73 8.634 -8.661 6.393 1.00 1.61 C ATOM 1738 NZ LYS A 73 8.398 -7.523 7.324 1.00 1.59 N ATOM 0 H LYS A 73 11.624 -10.260 2.593 1.00 1.06 H new ATOM 0 HA LYS A 73 9.085 -9.219 1.346 1.00 1.34 H new ATOM 0 HB2 LYS A 73 10.586 -8.441 3.878 1.00 1.51 H new ATOM 0 HB3 LYS A 73 9.411 -7.380 3.126 1.00 1.51 H new ATOM 0 HG2 LYS A 73 7.798 -9.465 3.177 1.00 1.47 H new ATOM 0 HG3 LYS A 73 8.942 -10.153 4.313 1.00 1.47 H new ATOM 0 HD2 LYS A 73 7.954 -7.331 4.828 1.00 1.61 H new ATOM 0 HD3 LYS A 73 6.857 -8.657 5.159 1.00 1.61 H new ATOM 0 HE2 LYS A 73 8.272 -9.589 6.836 1.00 1.61 H new ATOM 0 HE3 LYS A 73 9.703 -8.787 6.219 1.00 1.61 H new ATOM 0 HZ1 LYS A 73 9.311 -7.146 7.650 1.00 1.59 H new ATOM 0 HZ2 LYS A 73 7.870 -6.775 6.831 1.00 1.59 H new ATOM 0 HZ3 LYS A 73 7.848 -7.853 8.143 1.00 1.59 H new ATOM 1752 N TYR A 74 10.318 -7.298 0.206 1.00 1.60 N ATOM 1753 CA TYR A 74 11.121 -6.355 -0.627 1.00 1.78 C ATOM 1754 C TYR A 74 12.197 -5.670 0.224 1.00 1.82 C ATOM 1755 O TYR A 74 12.096 -5.593 1.433 1.00 2.06 O ATOM 1756 CB TYR A 74 10.196 -5.296 -1.236 1.00 1.92 C ATOM 1757 CG TYR A 74 9.370 -5.919 -2.337 1.00 2.10 C ATOM 1758 CD1 TYR A 74 8.161 -6.559 -2.030 1.00 2.15 C ATOM 1759 CD2 TYR A 74 9.814 -5.861 -3.667 1.00 2.35 C ATOM 1760 CE1 TYR A 74 7.398 -7.140 -3.050 1.00 2.40 C ATOM 1761 CE2 TYR A 74 9.050 -6.443 -4.689 1.00 2.60 C ATOM 1762 CZ TYR A 74 7.841 -7.083 -4.377 1.00 2.60 C ATOM 1763 OH TYR A 74 7.082 -7.660 -5.375 1.00 2.89 O ATOM 0 H TYR A 74 9.312 -7.271 0.040 1.00 1.60 H new ATOM 0 HA TYR A 74 11.610 -6.917 -1.422 1.00 1.78 H new ATOM 0 HB2 TYR A 74 9.543 -4.883 -0.467 1.00 1.92 H new ATOM 0 HB3 TYR A 74 10.785 -4.469 -1.633 1.00 1.92 H new ATOM 0 HD1 TYR A 74 7.818 -6.604 -1.007 1.00 2.15 H new ATOM 0 HD2 TYR A 74 10.745 -5.368 -3.904 1.00 2.35 H new ATOM 0 HE1 TYR A 74 6.467 -7.633 -2.813 1.00 2.40 H new ATOM 0 HE2 TYR A 74 9.391 -6.399 -5.713 1.00 2.60 H new ATOM 0 HH TYR A 74 6.417 -7.015 -5.695 1.00 2.89 H new ATOM 1773 N ARG A 75 13.231 -5.177 -0.408 1.00 1.62 N ATOM 1774 CA ARG A 75 14.335 -4.498 0.339 1.00 1.65 C ATOM 1775 C ARG A 75 14.778 -3.266 -0.464 1.00 1.99 C ATOM 1776 O ARG A 75 14.050 -2.299 -0.584 1.00 2.41 O ATOM 1777 CB ARG A 75 15.503 -5.506 0.521 1.00 1.66 C ATOM 1778 CG ARG A 75 16.879 -4.810 0.519 1.00 1.36 C ATOM 1779 CD ARG A 75 17.959 -5.842 0.857 1.00 1.54 C ATOM 1780 NE ARG A 75 19.278 -5.162 1.098 1.00 1.32 N ATOM 1781 CZ ARG A 75 19.838 -4.387 0.202 1.00 1.40 C ATOM 1782 NH1 ARG A 75 19.351 -4.297 -1.007 1.00 1.68 N ATOM 1783 NH2 ARG A 75 20.930 -3.740 0.503 1.00 1.25 N ATOM 0 H ARG A 75 13.360 -5.216 -1.419 1.00 1.62 H new ATOM 0 HA ARG A 75 14.006 -4.170 1.325 1.00 1.65 H new ATOM 0 HB2 ARG A 75 15.372 -6.046 1.459 1.00 1.66 H new ATOM 0 HB3 ARG A 75 15.471 -6.245 -0.279 1.00 1.66 H new ATOM 0 HG2 ARG A 75 17.075 -4.366 -0.457 1.00 1.36 H new ATOM 0 HG3 ARG A 75 16.892 -3.999 1.247 1.00 1.36 H new ATOM 0 HD2 ARG A 75 17.667 -6.407 1.742 1.00 1.54 H new ATOM 0 HD3 ARG A 75 18.055 -6.557 0.040 1.00 1.54 H new ATOM 0 HE ARG A 75 19.753 -5.309 1.989 1.00 1.32 H new ATOM 0 HH11 ARG A 75 18.523 -4.835 -1.265 1.00 1.68 H new ATOM 0 HH12 ARG A 75 19.798 -3.689 -1.693 1.00 1.68 H new ATOM 0 HH21 ARG A 75 21.342 -3.839 1.431 1.00 1.25 H new ATOM 0 HH22 ARG A 75 21.372 -3.135 -0.189 1.00 1.25 H new TER 1797 ARG A 75