USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 763 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 96 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 96 HEMFE :(H bumps) USER MOD Set 1.1: A 30 TYR OH : rot -55:sc= 1.22 USER MOD Set 1.2: A 71 SER OG : rot -69:sc= 2.32 USER MOD Single : A 1 ASP N :NH3+ -106:sc= 0.0599 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0794) USER MOD Single : A 6 TYR OH : rot 29:sc= 1.2 USER MOD Single : A 7 TYR OH : rot 151:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00182 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -0.353 K(o=-0.35,f=-1.6) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -61:sc= 0.619 USER MOD Single : A 21 THR OG1 : rot 140:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0.213 K(o=0.21,f=-1.5) USER MOD Single : A 27 HIS : no HD1:sc=-0.00421 X(o=-0.0042,f=-0.015) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 77:sc= 0.852 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0817 K(o=-0.082,f=-2.4!) USER MOD Single : A 55 THR OG1 : rot 95:sc= 1.96 USER MOD Single : A 57 ASN : amide:sc= -2.89! C(o=-2.9!,f=-3.3!) USER MOD Single : A 64 SER OG : rot -170:sc= 0.0543 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -108:sc= 1.1 USER MOD Single : A 80 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-2.5) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 45:sc= 0.68 USER MOD Single : A 93 THR OG1 : rot -94:sc= 1.14 USER MOD Single : A 96 HEM CMA :methyl -30:sc= -0.0986 (180deg=-0.219) USER MOD Single : A 96 HEM CMB :methyl 150:sc= -0.362 (180deg=-0.362) USER MOD Single : A 96 HEM CMC :methyl -30:sc= -3.27! (180deg=-5.38!) USER MOD Single : A 96 HEM CMD :methyl -30:sc= -2.13 (180deg=-5.74!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 5.988 -19.807 -18.305 1.00 0.00 N ATOM 2 CA ASP A 1 4.601 -19.394 -18.051 1.00 0.00 C ATOM 3 C ASP A 1 4.520 -18.863 -16.632 1.00 0.00 C ATOM 4 O ASP A 1 5.136 -19.456 -15.749 1.00 0.00 O ATOM 5 CB ASP A 1 3.648 -20.577 -18.268 1.00 0.00 C ATOM 6 CG ASP A 1 3.504 -20.892 -19.746 1.00 0.00 C ATOM 7 OD1 ASP A 1 3.564 -19.923 -20.528 1.00 0.00 O ATOM 8 OD2 ASP A 1 3.428 -22.095 -20.064 1.00 0.00 O ATOM 0 H1 ASP A 1 6.448 -19.113 -18.928 1.00 0.00 H new ATOM 0 H2 ASP A 1 6.505 -19.860 -17.404 1.00 0.00 H new ATOM 0 H3 ASP A 1 5.994 -20.741 -18.763 1.00 0.00 H new ATOM 0 HA ASP A 1 4.300 -18.609 -18.745 1.00 0.00 H new ATOM 0 HB2 ASP A 1 4.024 -21.454 -17.740 1.00 0.00 H new ATOM 0 HB3 ASP A 1 2.671 -20.345 -17.845 1.00 0.00 H new ATOM 15 N LYS A 2 3.859 -17.722 -16.431 1.00 0.00 N ATOM 16 CA LYS A 2 3.790 -17.049 -15.147 1.00 0.00 C ATOM 17 C LYS A 2 2.599 -16.099 -15.153 1.00 0.00 C ATOM 18 O LYS A 2 2.126 -15.702 -16.217 1.00 0.00 O ATOM 19 CB LYS A 2 5.113 -16.315 -14.852 1.00 0.00 C ATOM 20 CG LYS A 2 5.803 -16.938 -13.629 1.00 0.00 C ATOM 21 CD LYS A 2 7.286 -16.544 -13.565 1.00 0.00 C ATOM 22 CE LYS A 2 8.079 -17.451 -12.604 1.00 0.00 C ATOM 23 NZ LYS A 2 8.353 -16.819 -11.296 1.00 0.00 N ATOM 0 H LYS A 2 3.351 -17.238 -17.171 1.00 0.00 H new ATOM 0 HA LYS A 2 3.648 -17.777 -14.349 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.771 -16.373 -15.719 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.918 -15.258 -14.670 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.298 -16.613 -12.719 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.714 -18.024 -13.672 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.721 -16.603 -14.563 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.373 -15.507 -13.241 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.522 -18.374 -12.444 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.024 -17.726 -13.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.888 -17.479 -10.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.910 -15.952 -11.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.454 -16.580 -10.831 1.00 0.00 H new ATOM 37 N ASP A 3 2.120 -15.786 -13.949 1.00 0.00 N ATOM 38 CA ASP A 3 0.984 -14.915 -13.713 1.00 0.00 C ATOM 39 C ASP A 3 1.391 -13.454 -13.947 1.00 0.00 C ATOM 40 O ASP A 3 2.552 -13.162 -14.239 1.00 0.00 O ATOM 41 CB ASP A 3 0.507 -15.169 -12.273 1.00 0.00 C ATOM 42 CG ASP A 3 -0.891 -14.645 -11.973 1.00 0.00 C ATOM 43 OD1 ASP A 3 -1.504 -14.058 -12.893 1.00 0.00 O ATOM 44 OD2 ASP A 3 -1.321 -14.837 -10.819 1.00 0.00 O ATOM 0 H ASP A 3 2.530 -16.147 -13.088 1.00 0.00 H new ATOM 0 HA ASP A 3 0.165 -15.122 -14.402 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.529 -16.241 -12.079 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.212 -14.706 -11.582 1.00 0.00 H new ATOM 49 N VAL A 4 0.437 -12.534 -13.816 1.00 0.00 N ATOM 50 CA VAL A 4 0.667 -11.103 -13.877 1.00 0.00 C ATOM 51 C VAL A 4 1.289 -10.631 -12.565 1.00 0.00 C ATOM 52 O VAL A 4 1.981 -11.352 -11.852 1.00 0.00 O ATOM 53 CB VAL A 4 -0.665 -10.387 -14.199 1.00 0.00 C ATOM 54 CG1 VAL A 4 -1.690 -10.405 -13.050 1.00 0.00 C ATOM 55 CG2 VAL A 4 -0.513 -9.002 -14.861 1.00 0.00 C ATOM 0 H VAL A 4 -0.542 -12.776 -13.661 1.00 0.00 H new ATOM 0 HA VAL A 4 1.370 -10.857 -14.673 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.101 -11.014 -14.977 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.594 -9.881 -13.361 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.936 -11.437 -12.798 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.266 -9.910 -12.176 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.500 -8.578 -15.049 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.046 -8.341 -14.198 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.023 -9.107 -15.805 1.00 0.00 H new ATOM 65 N LYS A 5 0.977 -9.388 -12.231 1.00 0.00 N ATOM 66 CA LYS A 5 1.338 -8.790 -10.960 1.00 0.00 C ATOM 67 C LYS A 5 0.241 -9.087 -9.937 1.00 0.00 C ATOM 68 O LYS A 5 -0.502 -8.187 -9.559 1.00 0.00 O ATOM 69 CB LYS A 5 1.605 -7.293 -11.138 1.00 0.00 C ATOM 70 CG LYS A 5 2.752 -6.982 -12.111 1.00 0.00 C ATOM 71 CD LYS A 5 2.270 -6.559 -13.509 1.00 0.00 C ATOM 72 CE LYS A 5 3.153 -5.434 -14.066 1.00 0.00 C ATOM 73 NZ LYS A 5 2.904 -4.145 -13.380 1.00 0.00 N ATOM 0 H LYS A 5 0.459 -8.760 -12.845 1.00 0.00 H new ATOM 0 HA LYS A 5 2.264 -9.224 -10.582 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.696 -6.811 -11.496 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.836 -6.856 -10.166 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.369 -6.187 -11.692 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.388 -7.863 -12.205 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.294 -7.415 -14.183 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.234 -6.224 -13.457 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.202 -5.707 -13.955 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.965 -5.319 -15.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.318 -3.370 -13.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.879 -3.995 -13.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.340 -4.164 -12.436 1.00 0.00 H new ATOM 87 N TYR A 6 0.143 -10.341 -9.491 1.00 0.00 N ATOM 88 CA TYR A 6 -0.749 -10.744 -8.406 1.00 0.00 C ATOM 89 C TYR A 6 0.075 -11.059 -7.155 1.00 0.00 C ATOM 90 O TYR A 6 1.099 -11.730 -7.265 1.00 0.00 O ATOM 91 CB TYR A 6 -1.604 -11.953 -8.828 1.00 0.00 C ATOM 92 CG TYR A 6 -2.983 -11.608 -9.355 1.00 0.00 C ATOM 93 CD1 TYR A 6 -3.873 -10.905 -8.528 1.00 0.00 C ATOM 94 CD2 TYR A 6 -3.431 -12.089 -10.601 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.175 -10.633 -8.967 1.00 0.00 C ATOM 96 CE2 TYR A 6 -4.711 -11.749 -11.071 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.563 -10.974 -10.270 1.00 0.00 C ATOM 98 OH TYR A 6 -6.691 -10.419 -10.788 1.00 0.00 O ATOM 0 H TYR A 6 0.687 -11.112 -9.878 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.430 -9.924 -8.177 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.066 -12.509 -9.596 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.714 -12.618 -7.971 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.553 -10.573 -7.551 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.789 -12.721 -11.197 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.881 -10.160 -8.301 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.037 -12.083 -12.045 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.837 -9.538 -10.385 1.00 0.00 H new ATOM 108 N TYR A 7 -0.359 -10.578 -5.981 1.00 0.00 N ATOM 109 CA TYR A 7 0.288 -10.841 -4.697 1.00 0.00 C ATOM 110 C TYR A 7 -0.715 -11.405 -3.689 1.00 0.00 C ATOM 111 O TYR A 7 -1.876 -10.992 -3.682 1.00 0.00 O ATOM 112 CB TYR A 7 0.883 -9.537 -4.167 1.00 0.00 C ATOM 113 CG TYR A 7 1.893 -8.902 -5.096 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.137 -9.527 -5.303 1.00 0.00 C ATOM 115 CD2 TYR A 7 1.594 -7.696 -5.752 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.091 -8.929 -6.143 1.00 0.00 C ATOM 117 CE2 TYR A 7 2.566 -7.082 -6.558 1.00 0.00 C ATOM 118 CZ TYR A 7 3.815 -7.692 -6.747 1.00 0.00 C ATOM 119 OH TYR A 7 4.762 -7.063 -7.497 1.00 0.00 O ATOM 0 H TYR A 7 -1.185 -9.985 -5.901 1.00 0.00 H new ATOM 0 HA TYR A 7 1.077 -11.580 -4.839 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.075 -8.828 -3.985 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.359 -9.731 -3.206 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.358 -10.466 -4.816 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.620 -7.243 -5.637 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.036 -9.420 -6.324 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.351 -6.137 -7.034 1.00 0.00 H new ATOM 0 HH TYR A 7 4.326 -6.514 -8.182 1.00 0.00 H new ATOM 129 N THR A 8 -0.281 -12.338 -2.835 1.00 0.00 N ATOM 130 CA THR A 8 -1.121 -12.997 -1.840 1.00 0.00 C ATOM 131 C THR A 8 -0.919 -12.360 -0.463 1.00 0.00 C ATOM 132 O THR A 8 0.110 -11.730 -0.221 1.00 0.00 O ATOM 133 CB THR A 8 -0.743 -14.486 -1.772 1.00 0.00 C ATOM 134 OG1 THR A 8 0.574 -14.616 -1.270 1.00 0.00 O ATOM 135 CG2 THR A 8 -0.813 -15.161 -3.144 1.00 0.00 C ATOM 0 H THR A 8 0.687 -12.660 -2.819 1.00 0.00 H new ATOM 0 HA THR A 8 -2.167 -12.887 -2.127 1.00 0.00 H new ATOM 0 HB THR A 8 -1.461 -14.975 -1.114 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.815 -15.565 -1.225 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.538 -16.211 -3.047 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.828 -15.086 -3.535 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.123 -14.667 -3.828 1.00 0.00 H new ATOM 143 N LEU A 9 -1.875 -12.544 0.457 1.00 0.00 N ATOM 144 CA LEU A 9 -1.798 -11.995 1.800 1.00 0.00 C ATOM 145 C LEU A 9 -0.482 -12.377 2.473 1.00 0.00 C ATOM 146 O LEU A 9 0.228 -11.489 2.934 1.00 0.00 O ATOM 147 CB LEU A 9 -2.989 -12.442 2.655 1.00 0.00 C ATOM 148 CG LEU A 9 -4.380 -11.960 2.210 1.00 0.00 C ATOM 149 CD1 LEU A 9 -4.420 -10.465 1.865 1.00 0.00 C ATOM 150 CD2 LEU A 9 -4.954 -12.798 1.064 1.00 0.00 C ATOM 0 H LEU A 9 -2.724 -13.082 0.281 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.836 -10.909 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.999 -13.532 2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.821 -12.100 3.676 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.021 -12.104 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.429 -10.189 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.134 -9.882 2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.725 -10.261 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.937 -12.414 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.289 -12.741 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.046 -13.836 1.383 1.00 0.00 H new ATOM 162 N GLU A 10 -0.140 -13.671 2.518 1.00 0.00 N ATOM 163 CA GLU A 10 1.136 -14.134 3.058 1.00 0.00 C ATOM 164 C GLU A 10 2.298 -13.295 2.525 1.00 0.00 C ATOM 165 O GLU A 10 3.117 -12.788 3.292 1.00 0.00 O ATOM 166 CB GLU A 10 1.371 -15.615 2.702 1.00 0.00 C ATOM 167 CG GLU A 10 1.189 -16.533 3.918 1.00 0.00 C ATOM 168 CD GLU A 10 -0.265 -16.634 4.351 1.00 0.00 C ATOM 169 OE1 GLU A 10 -1.116 -16.753 3.443 1.00 0.00 O ATOM 170 OE2 GLU A 10 -0.491 -16.587 5.578 1.00 0.00 O ATOM 0 H GLU A 10 -0.742 -14.422 2.181 1.00 0.00 H new ATOM 0 HA GLU A 10 1.092 -14.025 4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.678 -15.913 1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.378 -15.737 2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.565 -17.528 3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.788 -16.157 4.748 1.00 0.00 H new ATOM 177 N GLU A 11 2.383 -13.176 1.198 1.00 0.00 N ATOM 178 CA GLU A 11 3.488 -12.485 0.567 1.00 0.00 C ATOM 179 C GLU A 11 3.483 -11.021 1.012 1.00 0.00 C ATOM 180 O GLU A 11 4.450 -10.543 1.599 1.00 0.00 O ATOM 181 CB GLU A 11 3.410 -12.687 -0.951 1.00 0.00 C ATOM 182 CG GLU A 11 4.726 -12.336 -1.657 1.00 0.00 C ATOM 183 CD GLU A 11 4.850 -13.070 -2.986 1.00 0.00 C ATOM 184 OE1 GLU A 11 3.805 -13.187 -3.663 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.976 -13.520 -3.286 1.00 0.00 O ATOM 0 H GLU A 11 1.694 -13.553 0.547 1.00 0.00 H new ATOM 0 HA GLU A 11 4.450 -12.894 0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.152 -13.725 -1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.608 -12.070 -1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.775 -11.260 -1.826 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.567 -12.596 -1.015 1.00 0.00 H new ATOM 192 N ILE A 12 2.363 -10.327 0.813 1.00 0.00 N ATOM 193 CA ILE A 12 2.214 -8.924 1.181 1.00 0.00 C ATOM 194 C ILE A 12 2.571 -8.713 2.661 1.00 0.00 C ATOM 195 O ILE A 12 3.220 -7.733 3.013 1.00 0.00 O ATOM 196 CB ILE A 12 0.790 -8.443 0.848 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.470 -8.646 -0.649 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.617 -6.963 1.225 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.026 -8.862 -0.879 1.00 0.00 C ATOM 0 H ILE A 12 1.527 -10.729 0.388 1.00 0.00 H new ATOM 0 HA ILE A 12 2.910 -8.320 0.599 1.00 0.00 H new ATOM 0 HB ILE A 12 0.092 -9.041 1.434 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.804 -7.776 -1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.025 -9.505 -1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.396 -6.642 0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.791 -6.837 2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.333 -6.359 0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.214 -9.001 -1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.354 -9.747 -0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.578 -7.992 -0.524 1.00 0.00 H new ATOM 211 N GLN A 13 2.178 -9.644 3.528 1.00 0.00 N ATOM 212 CA GLN A 13 2.459 -9.589 4.955 1.00 0.00 C ATOM 213 C GLN A 13 3.964 -9.714 5.211 1.00 0.00 C ATOM 214 O GLN A 13 4.508 -9.028 6.075 1.00 0.00 O ATOM 215 CB GLN A 13 1.667 -10.686 5.680 1.00 0.00 C ATOM 216 CG GLN A 13 1.643 -10.465 7.201 1.00 0.00 C ATOM 217 CD GLN A 13 2.059 -11.715 7.970 1.00 0.00 C ATOM 218 OE1 GLN A 13 3.174 -12.205 7.816 1.00 0.00 O ATOM 219 NE2 GLN A 13 1.178 -12.241 8.817 1.00 0.00 N ATOM 0 H GLN A 13 1.647 -10.470 3.251 1.00 0.00 H new ATOM 0 HA GLN A 13 2.142 -8.624 5.350 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.646 -10.708 5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.109 -11.658 5.461 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.311 -9.643 7.458 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.640 -10.168 7.508 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.258 -11.814 8.926 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.423 -13.071 9.357 1.00 0.00 H new ATOM 228 N LYS A 14 4.644 -10.587 4.462 1.00 0.00 N ATOM 229 CA LYS A 14 6.091 -10.729 4.549 1.00 0.00 C ATOM 230 C LYS A 14 6.782 -9.480 4.000 1.00 0.00 C ATOM 231 O LYS A 14 7.790 -9.032 4.549 1.00 0.00 O ATOM 232 CB LYS A 14 6.526 -12.051 3.891 1.00 0.00 C ATOM 233 CG LYS A 14 6.581 -13.094 5.015 1.00 0.00 C ATOM 234 CD LYS A 14 6.514 -14.545 4.539 1.00 0.00 C ATOM 235 CE LYS A 14 6.184 -15.416 5.767 1.00 0.00 C ATOM 236 NZ LYS A 14 6.522 -16.841 5.582 1.00 0.00 N ATOM 0 H LYS A 14 4.205 -11.210 3.784 1.00 0.00 H new ATOM 0 HA LYS A 14 6.409 -10.797 5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.820 -12.351 3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.499 -11.945 3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.503 -12.953 5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.755 -12.912 5.703 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.751 -14.662 3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.463 -14.848 4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.724 -15.031 6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.121 -15.328 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.276 -17.371 6.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.988 -17.223 4.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.541 -16.935 5.397 1.00 0.00 H new ATOM 250 N HIS A 15 6.210 -8.875 2.961 1.00 0.00 N ATOM 251 CA HIS A 15 6.660 -7.604 2.423 1.00 0.00 C ATOM 252 C HIS A 15 6.242 -6.465 3.362 1.00 0.00 C ATOM 253 O HIS A 15 5.343 -5.682 3.065 1.00 0.00 O ATOM 254 CB HIS A 15 6.100 -7.439 1.010 1.00 0.00 C ATOM 255 CG HIS A 15 6.905 -8.153 -0.044 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.800 -7.555 -0.901 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.920 -9.498 -0.304 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.332 -8.520 -1.670 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.834 -9.720 -1.339 1.00 0.00 N ATOM 0 H HIS A 15 5.408 -9.265 2.465 1.00 0.00 H new ATOM 0 HA HIS A 15 7.748 -7.575 2.356 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.076 -7.812 0.988 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.058 -6.377 0.766 1.00 0.00 H new ATOM 0 HD1 HIS A 15 8.020 -6.560 -0.945 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.332 -10.251 0.200 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.061 -8.352 -2.449 1.00 0.00 H new ATOM 267 N LYS A 16 6.924 -6.370 4.505 1.00 0.00 N ATOM 268 CA LYS A 16 6.670 -5.369 5.522 1.00 0.00 C ATOM 269 C LYS A 16 8.001 -4.941 6.149 1.00 0.00 C ATOM 270 O LYS A 16 8.432 -3.787 6.034 1.00 0.00 O ATOM 271 CB LYS A 16 5.693 -5.991 6.529 1.00 0.00 C ATOM 272 CG LYS A 16 5.242 -4.995 7.594 1.00 0.00 C ATOM 273 CD LYS A 16 5.723 -5.397 8.990 1.00 0.00 C ATOM 274 CE LYS A 16 5.011 -4.546 10.051 1.00 0.00 C ATOM 275 NZ LYS A 16 5.733 -4.572 11.338 1.00 0.00 N ATOM 0 H LYS A 16 7.684 -7.006 4.747 1.00 0.00 H new ATOM 0 HA LYS A 16 6.218 -4.463 5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.820 -6.370 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.168 -6.845 7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.624 -4.004 7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.154 -4.927 7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.522 -6.454 9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.802 -5.261 9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.929 -3.518 9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.996 -4.916 10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.226 -3.987 12.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.789 -5.551 11.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.693 -4.196 11.205 1.00 0.00 H new ATOM 289 N ASP A 17 8.653 -5.885 6.828 1.00 0.00 N ATOM 290 CA ASP A 17 9.969 -5.675 7.408 1.00 0.00 C ATOM 291 C ASP A 17 11.045 -5.824 6.333 1.00 0.00 C ATOM 292 O ASP A 17 10.740 -5.983 5.158 1.00 0.00 O ATOM 293 CB ASP A 17 10.161 -6.571 8.644 1.00 0.00 C ATOM 294 CG ASP A 17 9.984 -5.769 9.933 1.00 0.00 C ATOM 295 OD1 ASP A 17 8.990 -5.008 10.029 1.00 0.00 O ATOM 296 OD2 ASP A 17 10.896 -5.858 10.776 1.00 0.00 O ATOM 0 H ASP A 17 8.277 -6.819 6.989 1.00 0.00 H new ATOM 0 HA ASP A 17 10.064 -4.654 7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.442 -7.390 8.619 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.155 -7.018 8.623 1.00 0.00 H new ATOM 301 N SER A 18 12.317 -5.701 6.718 1.00 0.00 N ATOM 302 CA SER A 18 13.437 -5.709 5.779 1.00 0.00 C ATOM 303 C SER A 18 13.378 -4.508 4.825 1.00 0.00 C ATOM 304 O SER A 18 13.851 -4.598 3.694 1.00 0.00 O ATOM 305 CB SER A 18 13.490 -7.040 5.008 1.00 0.00 C ATOM 306 OG SER A 18 14.826 -7.339 4.657 1.00 0.00 O ATOM 0 H SER A 18 12.598 -5.593 7.692 1.00 0.00 H new ATOM 0 HA SER A 18 14.359 -5.617 6.353 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.077 -7.842 5.620 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.875 -6.975 4.111 1.00 0.00 H new ATOM 0 HG SER A 18 14.854 -8.188 4.168 1.00 0.00 H new ATOM 312 N LYS A 19 12.824 -3.382 5.293 1.00 0.00 N ATOM 313 CA LYS A 19 12.698 -2.152 4.521 1.00 0.00 C ATOM 314 C LYS A 19 11.860 -2.407 3.261 1.00 0.00 C ATOM 315 O LYS A 19 12.288 -2.058 2.166 1.00 0.00 O ATOM 316 CB LYS A 19 14.101 -1.587 4.204 1.00 0.00 C ATOM 317 CG LYS A 19 14.158 -0.069 3.938 1.00 0.00 C ATOM 318 CD LYS A 19 14.698 0.706 5.156 1.00 0.00 C ATOM 319 CE LYS A 19 15.238 2.094 4.765 1.00 0.00 C ATOM 320 NZ LYS A 19 15.999 2.727 5.866 1.00 0.00 N ATOM 0 H LYS A 19 12.446 -3.305 6.237 1.00 0.00 H new ATOM 0 HA LYS A 19 12.172 -1.396 5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.764 -1.818 5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 19 14.495 -2.107 3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.793 0.125 3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.161 0.294 3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.904 0.821 5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.492 0.129 5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.880 1.999 3.889 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.406 2.739 4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.344 3.659 5.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.380 2.842 6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.808 2.125 6.120 1.00 0.00 H new ATOM 334 N SER A 20 10.663 -2.992 3.411 1.00 0.00 N ATOM 335 CA SER A 20 9.719 -3.153 2.308 1.00 0.00 C ATOM 336 C SER A 20 8.296 -2.824 2.766 1.00 0.00 C ATOM 337 O SER A 20 7.479 -3.726 2.923 1.00 0.00 O ATOM 338 CB SER A 20 9.828 -4.559 1.703 1.00 0.00 C ATOM 339 OG SER A 20 9.441 -5.548 2.631 1.00 0.00 O ATOM 0 H SER A 20 10.328 -3.364 4.299 1.00 0.00 H new ATOM 0 HA SER A 20 9.973 -2.446 1.518 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.199 -4.625 0.815 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.854 -4.740 1.382 1.00 0.00 H new ATOM 0 HG SER A 20 10.028 -5.509 3.415 1.00 0.00 H new ATOM 345 N THR A 21 7.987 -1.550 3.015 1.00 0.00 N ATOM 346 CA THR A 21 6.663 -1.130 3.432 1.00 0.00 C ATOM 347 C THR A 21 5.697 -1.137 2.242 1.00 0.00 C ATOM 348 O THR A 21 5.662 -0.207 1.433 1.00 0.00 O ATOM 349 CB THR A 21 6.788 0.227 4.130 1.00 0.00 C ATOM 350 OG1 THR A 21 7.465 0.011 5.356 1.00 0.00 O ATOM 351 CG2 THR A 21 5.415 0.844 4.380 1.00 0.00 C ATOM 0 H THR A 21 8.655 -0.784 2.931 1.00 0.00 H new ATOM 0 HA THR A 21 6.233 -1.829 4.150 1.00 0.00 H new ATOM 0 HB THR A 21 7.341 0.924 3.500 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.098 0.743 5.514 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.534 1.807 4.877 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.902 0.987 3.429 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.827 0.179 5.013 1.00 0.00 H new ATOM 359 N TRP A 22 4.903 -2.205 2.159 1.00 0.00 N ATOM 360 CA TRP A 22 3.793 -2.349 1.229 1.00 0.00 C ATOM 361 C TRP A 22 2.481 -2.065 1.948 1.00 0.00 C ATOM 362 O TRP A 22 2.441 -2.078 3.177 1.00 0.00 O ATOM 363 CB TRP A 22 3.787 -3.773 0.695 1.00 0.00 C ATOM 364 CG TRP A 22 4.862 -4.105 -0.288 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.030 -3.453 -0.494 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.823 -5.165 -1.275 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.684 -4.016 -1.568 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.001 -5.101 -2.068 1.00 0.00 C ATOM 369 CE3 TRP A 22 3.876 -6.153 -1.593 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.238 -5.990 -3.124 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.115 -7.078 -2.625 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.304 -7.009 -3.377 1.00 0.00 C ATOM 0 H TRP A 22 5.023 -3.020 2.761 1.00 0.00 H new ATOM 0 HA TRP A 22 3.904 -1.644 0.405 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.869 -4.458 1.539 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.821 -3.960 0.225 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.393 -2.621 0.092 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.566 -3.671 -1.946 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.951 -6.203 -1.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.124 -5.894 -3.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.385 -7.844 -2.842 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.498 -7.740 -4.148 1.00 0.00 H new ATOM 383 N VAL A 23 1.402 -1.850 1.192 1.00 0.00 N ATOM 384 CA VAL A 23 0.054 -1.707 1.726 1.00 0.00 C ATOM 385 C VAL A 23 -0.944 -2.111 0.632 1.00 0.00 C ATOM 386 O VAL A 23 -0.746 -1.779 -0.541 1.00 0.00 O ATOM 387 CB VAL A 23 -0.202 -0.266 2.217 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.243 0.014 3.657 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.492 0.776 1.348 1.00 0.00 C ATOM 0 H VAL A 23 1.446 -1.770 0.176 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.070 -2.358 2.592 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.287 -0.186 2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.022 1.051 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.291 -0.648 4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.315 -0.161 3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.280 1.772 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.568 0.602 1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.125 0.699 0.325 1.00 0.00 H new ATOM 399 N ILE A 24 -2.007 -2.836 1.007 1.00 0.00 N ATOM 400 CA ILE A 24 -3.081 -3.200 0.085 1.00 0.00 C ATOM 401 C ILE A 24 -4.243 -2.228 0.241 1.00 0.00 C ATOM 402 O ILE A 24 -5.185 -2.465 0.992 1.00 0.00 O ATOM 403 CB ILE A 24 -3.512 -4.666 0.236 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.915 -5.060 1.661 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.419 -5.594 -0.276 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.264 -5.780 1.669 1.00 0.00 C ATOM 0 H ILE A 24 -2.142 -3.184 1.956 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.703 -3.117 -0.934 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.412 -4.774 -0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.151 -5.706 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.970 -4.169 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.739 -6.630 -0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.229 -5.386 -1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.506 -5.431 0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.527 -6.049 2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.030 -5.122 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.198 -6.683 1.062 1.00 0.00 H new ATOM 418 N LEU A 25 -4.153 -1.102 -0.458 1.00 0.00 N ATOM 419 CA LEU A 25 -5.184 -0.086 -0.406 1.00 0.00 C ATOM 420 C LEU A 25 -6.193 -0.417 -1.498 1.00 0.00 C ATOM 421 O LEU A 25 -5.869 -0.349 -2.682 1.00 0.00 O ATOM 422 CB LEU A 25 -4.558 1.296 -0.572 1.00 0.00 C ATOM 423 CG LEU A 25 -3.515 1.537 0.529 1.00 0.00 C ATOM 424 CD1 LEU A 25 -2.303 2.254 -0.041 1.00 0.00 C ATOM 425 CD2 LEU A 25 -4.105 2.413 1.617 1.00 0.00 C ATOM 0 H LEU A 25 -3.369 -0.874 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.697 -0.071 0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.089 1.376 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.332 2.062 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.222 0.569 0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.572 2.418 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.856 1.645 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.610 3.214 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.359 2.579 2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.405 3.370 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.976 1.920 2.049 1.00 0.00 H new ATOM 437 N HIS A 26 -7.410 -0.791 -1.110 1.00 0.00 N ATOM 438 CA HIS A 26 -8.435 -1.243 -2.041 1.00 0.00 C ATOM 439 C HIS A 26 -7.968 -2.521 -2.759 1.00 0.00 C ATOM 440 O HIS A 26 -7.041 -3.203 -2.324 1.00 0.00 O ATOM 441 CB HIS A 26 -8.809 -0.122 -3.034 1.00 0.00 C ATOM 442 CG HIS A 26 -8.870 1.268 -2.444 1.00 0.00 C ATOM 443 ND1 HIS A 26 -9.964 1.856 -1.850 1.00 0.00 N ATOM 444 CD2 HIS A 26 -7.869 2.203 -2.482 1.00 0.00 C ATOM 445 CE1 HIS A 26 -9.621 3.118 -1.535 1.00 0.00 C ATOM 446 NE2 HIS A 26 -8.359 3.377 -1.912 1.00 0.00 N ATOM 0 H HIS A 26 -7.712 -0.788 -0.136 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.340 -1.486 -1.484 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.083 -0.122 -3.847 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.779 -0.356 -3.472 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.877 2.056 -2.882 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.273 3.827 -1.045 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -7.858 4.259 -1.803 1.00 0.00 H new ATOM 454 N HIS A 27 -8.599 -2.857 -3.888 1.00 0.00 N ATOM 455 CA HIS A 27 -8.332 -4.086 -4.633 1.00 0.00 C ATOM 456 C HIS A 27 -7.066 -3.963 -5.484 1.00 0.00 C ATOM 457 O HIS A 27 -7.102 -4.254 -6.679 1.00 0.00 O ATOM 458 CB HIS A 27 -9.554 -4.402 -5.507 1.00 0.00 C ATOM 459 CG HIS A 27 -10.859 -4.366 -4.755 1.00 0.00 C ATOM 460 ND1 HIS A 27 -11.079 -4.856 -3.487 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.992 -3.704 -5.147 1.00 0.00 C ATOM 462 CE1 HIS A 27 -12.326 -4.501 -3.131 1.00 0.00 C ATOM 463 NE2 HIS A 27 -12.919 -3.796 -4.108 1.00 0.00 N ATOM 0 H HIS A 27 -9.319 -2.273 -4.314 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.159 -4.902 -3.931 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.598 -3.687 -6.328 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.427 -5.389 -5.951 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.141 -3.201 -6.091 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.788 -4.749 -2.187 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.861 -3.405 -4.094 1.00 0.00 H new ATOM 471 N LYS A 28 -5.960 -3.512 -4.890 1.00 0.00 N ATOM 472 CA LYS A 28 -4.708 -3.284 -5.592 1.00 0.00 C ATOM 473 C LYS A 28 -3.575 -3.077 -4.579 1.00 0.00 C ATOM 474 O LYS A 28 -3.798 -2.476 -3.530 1.00 0.00 O ATOM 475 CB LYS A 28 -4.850 -2.157 -6.623 1.00 0.00 C ATOM 476 CG LYS A 28 -5.437 -0.861 -6.049 1.00 0.00 C ATOM 477 CD LYS A 28 -6.222 -0.062 -7.098 1.00 0.00 C ATOM 478 CE LYS A 28 -7.665 -0.583 -7.194 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.442 0.118 -8.235 1.00 0.00 N ATOM 0 H LYS A 28 -5.914 -3.294 -3.895 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.442 -4.166 -6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.870 -1.943 -7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.485 -2.502 -7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.093 -1.101 -5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.630 -0.243 -5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.227 0.995 -6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.733 -0.144 -8.069 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.650 -1.651 -7.411 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.159 -0.461 -6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.408 -0.266 -8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.479 1.134 -8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.987 -0.020 -9.160 1.00 0.00 H new ATOM 493 N VAL A 29 -2.384 -3.620 -4.858 1.00 0.00 N ATOM 494 CA VAL A 29 -1.252 -3.594 -3.938 1.00 0.00 C ATOM 495 C VAL A 29 -0.312 -2.465 -4.354 1.00 0.00 C ATOM 496 O VAL A 29 0.086 -2.373 -5.521 1.00 0.00 O ATOM 497 CB VAL A 29 -0.528 -4.953 -3.899 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.550 -4.994 -2.803 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.521 -6.092 -3.657 1.00 0.00 C ATOM 0 H VAL A 29 -2.182 -4.093 -5.739 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.609 -3.409 -2.925 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.048 -5.081 -4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.037 -5.969 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.291 -4.217 -2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.087 -4.825 -1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.987 -7.042 -3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.027 -5.937 -2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.257 -6.110 -4.461 1.00 0.00 H new ATOM 509 N TYR A 30 0.036 -1.612 -3.389 1.00 0.00 N ATOM 510 CA TYR A 30 0.928 -0.490 -3.596 1.00 0.00 C ATOM 511 C TYR A 30 2.213 -0.721 -2.812 1.00 0.00 C ATOM 512 O TYR A 30 2.161 -1.153 -1.656 1.00 0.00 O ATOM 513 CB TYR A 30 0.223 0.784 -3.142 1.00 0.00 C ATOM 514 CG TYR A 30 -1.004 1.110 -3.965 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.855 1.629 -5.258 1.00 0.00 C ATOM 516 CD2 TYR A 30 -2.294 0.849 -3.473 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.988 1.948 -6.022 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.412 1.350 -4.163 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.254 1.922 -5.430 1.00 0.00 C ATOM 520 OH TYR A 30 -4.321 2.465 -6.079 1.00 0.00 O ATOM 0 H TYR A 30 -0.304 -1.690 -2.430 1.00 0.00 H new ATOM 0 HA TYR A 30 1.187 -0.389 -4.650 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.066 0.679 -2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.922 1.618 -3.197 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.133 1.784 -5.667 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.426 0.268 -2.572 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.882 2.213 -7.064 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.393 1.293 -3.715 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.124 3.397 -6.310 1.00 0.00 H new ATOM 530 N ASP A 31 3.352 -0.425 -3.449 1.00 0.00 N ATOM 531 CA ASP A 31 4.646 -0.413 -2.784 1.00 0.00 C ATOM 532 C ASP A 31 4.985 1.037 -2.487 1.00 0.00 C ATOM 533 O ASP A 31 4.989 1.865 -3.397 1.00 0.00 O ATOM 534 CB ASP A 31 5.730 -1.051 -3.655 1.00 0.00 C ATOM 535 CG ASP A 31 7.020 -1.254 -2.872 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.231 -0.493 -1.904 1.00 0.00 O ATOM 537 OD2 ASP A 31 7.761 -2.211 -3.184 1.00 0.00 O ATOM 0 H ASP A 31 3.395 -0.188 -4.440 1.00 0.00 H new ATOM 0 HA ASP A 31 4.599 -0.998 -1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.377 -2.010 -4.034 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.923 -0.418 -4.521 1.00 0.00 H new ATOM 542 N LEU A 32 5.237 1.349 -1.217 1.00 0.00 N ATOM 543 CA LEU A 32 5.579 2.691 -0.787 1.00 0.00 C ATOM 544 C LEU A 32 6.928 2.670 -0.067 1.00 0.00 C ATOM 545 O LEU A 32 7.291 3.636 0.603 1.00 0.00 O ATOM 546 CB LEU A 32 4.439 3.232 0.082 1.00 0.00 C ATOM 547 CG LEU A 32 3.061 3.076 -0.597 1.00 0.00 C ATOM 548 CD1 LEU A 32 1.974 3.367 0.422 1.00 0.00 C ATOM 549 CD2 LEU A 32 2.817 3.939 -1.849 1.00 0.00 C ATOM 0 H LEU A 32 5.208 0.669 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 32 5.691 3.363 -1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.433 2.707 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.618 4.285 0.298 1.00 0.00 H new ATOM 0 HG LEU A 32 3.039 2.047 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.996 3.259 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.057 2.666 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.087 4.385 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.817 3.743 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.904 4.993 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.556 3.692 -2.611 1.00 0.00 H new ATOM 561 N THR A 33 7.705 1.602 -0.258 1.00 0.00 N ATOM 562 CA THR A 33 9.017 1.396 0.331 1.00 0.00 C ATOM 563 C THR A 33 9.941 2.583 0.067 1.00 0.00 C ATOM 564 O THR A 33 10.695 2.987 0.948 1.00 0.00 O ATOM 565 CB THR A 33 9.584 0.089 -0.235 1.00 0.00 C ATOM 566 OG1 THR A 33 8.726 -0.962 0.150 1.00 0.00 O ATOM 567 CG2 THR A 33 10.996 -0.201 0.264 1.00 0.00 C ATOM 0 H THR A 33 7.418 0.826 -0.855 1.00 0.00 H new ATOM 0 HA THR A 33 8.935 1.320 1.415 1.00 0.00 H new ATOM 0 HB THR A 33 9.643 0.182 -1.319 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.927 -0.956 -0.417 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.349 -1.138 -0.167 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.661 0.609 -0.034 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.988 -0.282 1.351 1.00 0.00 H new ATOM 575 N LYS A 34 9.882 3.140 -1.145 1.00 0.00 N ATOM 576 CA LYS A 34 10.647 4.314 -1.534 1.00 0.00 C ATOM 577 C LYS A 34 9.759 5.552 -1.665 1.00 0.00 C ATOM 578 O LYS A 34 10.131 6.503 -2.345 1.00 0.00 O ATOM 579 CB LYS A 34 11.396 3.995 -2.831 1.00 0.00 C ATOM 580 CG LYS A 34 12.527 2.995 -2.551 1.00 0.00 C ATOM 581 CD LYS A 34 13.789 3.397 -3.323 1.00 0.00 C ATOM 582 CE LYS A 34 14.993 2.593 -2.816 1.00 0.00 C ATOM 583 NZ LYS A 34 16.201 2.845 -3.628 1.00 0.00 N ATOM 0 H LYS A 34 9.290 2.777 -1.892 1.00 0.00 H new ATOM 0 HA LYS A 34 11.370 4.555 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.707 3.580 -3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.806 4.910 -3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.739 2.964 -1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.217 1.992 -2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.645 3.219 -4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.976 4.464 -3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.193 2.854 -1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.755 1.529 -2.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.993 2.284 -3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.019 2.573 -4.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.443 3.856 -3.587 1.00 0.00 H new ATOM 597 N PHE A 35 8.607 5.553 -0.992 1.00 0.00 N ATOM 598 CA PHE A 35 7.710 6.698 -0.921 1.00 0.00 C ATOM 599 C PHE A 35 7.532 7.166 0.528 1.00 0.00 C ATOM 600 O PHE A 35 6.878 8.173 0.767 1.00 0.00 O ATOM 601 CB PHE A 35 6.381 6.312 -1.575 1.00 0.00 C ATOM 602 CG PHE A 35 5.306 7.380 -1.597 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.550 8.637 -2.180 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.058 7.120 -1.008 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.534 9.608 -2.212 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.030 8.070 -1.075 1.00 0.00 C ATOM 607 CZ PHE A 35 3.269 9.320 -1.669 1.00 0.00 C ATOM 0 H PHE A 35 8.269 4.742 -0.474 1.00 0.00 H new ATOM 0 HA PHE A 35 8.135 7.544 -1.462 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.581 6.008 -2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.985 5.439 -1.055 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.519 8.856 -2.603 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.889 6.182 -0.500 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.725 10.575 -2.653 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.055 7.841 -0.670 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.482 10.059 -1.709 1.00 0.00 H new ATOM 617 N LEU A 36 8.125 6.463 1.501 1.00 0.00 N ATOM 618 CA LEU A 36 7.958 6.737 2.918 1.00 0.00 C ATOM 619 C LEU A 36 8.167 8.220 3.243 1.00 0.00 C ATOM 620 O LEU A 36 7.248 8.893 3.702 1.00 0.00 O ATOM 621 CB LEU A 36 8.904 5.834 3.722 1.00 0.00 C ATOM 622 CG LEU A 36 8.508 4.349 3.767 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.424 3.584 4.731 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.059 4.165 4.228 1.00 0.00 C ATOM 0 H LEU A 36 8.744 5.675 1.313 1.00 0.00 H new ATOM 0 HA LEU A 36 6.930 6.511 3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.905 5.914 3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.959 6.210 4.744 1.00 0.00 H new ATOM 0 HG LEU A 36 8.611 3.959 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.133 2.534 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.457 3.667 4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.334 4.007 5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.815 3.103 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.939 4.583 5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.390 4.678 3.538 1.00 0.00 H new ATOM 636 N GLU A 37 9.370 8.735 2.986 1.00 0.00 N ATOM 637 CA GLU A 37 9.689 10.134 3.242 1.00 0.00 C ATOM 638 C GLU A 37 8.977 11.057 2.243 1.00 0.00 C ATOM 639 O GLU A 37 8.478 12.111 2.628 1.00 0.00 O ATOM 640 CB GLU A 37 11.214 10.334 3.232 1.00 0.00 C ATOM 641 CG GLU A 37 11.719 10.820 4.597 1.00 0.00 C ATOM 642 CD GLU A 37 13.242 10.860 4.635 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.840 9.766 4.551 1.00 0.00 O ATOM 644 OE2 GLU A 37 13.781 11.983 4.726 1.00 0.00 O ATOM 0 H GLU A 37 10.144 8.196 2.597 1.00 0.00 H new ATOM 0 HA GLU A 37 9.322 10.406 4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.705 9.396 2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.483 11.058 2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.321 11.813 4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.350 10.159 5.381 1.00 0.00 H new ATOM 651 N GLU A 38 8.942 10.674 0.960 1.00 0.00 N ATOM 652 CA GLU A 38 8.319 11.478 -0.084 1.00 0.00 C ATOM 653 C GLU A 38 6.856 11.802 0.235 1.00 0.00 C ATOM 654 O GLU A 38 6.391 12.895 -0.080 1.00 0.00 O ATOM 655 CB GLU A 38 8.386 10.757 -1.434 1.00 0.00 C ATOM 656 CG GLU A 38 9.673 10.991 -2.238 1.00 0.00 C ATOM 657 CD GLU A 38 9.347 11.104 -3.726 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.703 10.160 -4.242 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.710 12.150 -4.306 1.00 0.00 O ATOM 0 H GLU A 38 9.345 9.800 0.623 1.00 0.00 H new ATOM 0 HA GLU A 38 8.877 12.413 -0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.274 9.687 -1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.536 11.073 -2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.165 11.901 -1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.370 10.170 -2.071 1.00 0.00 H new ATOM 666 N HIS A 39 6.121 10.838 0.795 1.00 0.00 N ATOM 667 CA HIS A 39 4.707 10.969 1.101 1.00 0.00 C ATOM 668 C HIS A 39 4.423 12.284 1.831 1.00 0.00 C ATOM 669 O HIS A 39 4.845 12.433 2.981 1.00 0.00 O ATOM 670 CB HIS A 39 4.259 9.770 1.933 1.00 0.00 C ATOM 671 CG HIS A 39 2.843 9.852 2.446 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.484 9.804 3.771 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.692 9.781 1.711 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.149 9.709 3.831 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.615 9.683 2.597 1.00 0.00 N ATOM 0 H HIS A 39 6.506 9.929 1.051 1.00 0.00 H new ATOM 0 HA HIS A 39 4.140 10.988 0.170 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.361 8.868 1.329 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.933 9.663 2.783 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.121 9.835 4.567 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.626 9.798 0.633 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.579 9.660 4.747 1.00 0.00 H new ATOM 683 N PRO A 40 3.697 13.226 1.196 1.00 0.00 N ATOM 684 CA PRO A 40 3.372 14.506 1.795 1.00 0.00 C ATOM 685 C PRO A 40 2.367 14.267 2.918 1.00 0.00 C ATOM 686 O PRO A 40 1.159 14.389 2.734 1.00 0.00 O ATOM 687 CB PRO A 40 2.834 15.387 0.664 1.00 0.00 C ATOM 688 CG PRO A 40 2.348 14.401 -0.394 1.00 0.00 C ATOM 689 CD PRO A 40 3.121 13.110 -0.134 1.00 0.00 C ATOM 0 HA PRO A 40 4.226 15.010 2.247 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.023 16.027 1.012 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.610 16.042 0.269 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.273 14.238 -0.314 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.539 14.778 -1.399 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.461 12.245 -0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.901 12.969 -0.882 1.00 0.00 H new ATOM 697 N GLY A 41 2.898 13.868 4.070 1.00 0.00 N ATOM 698 CA GLY A 41 2.136 13.417 5.214 1.00 0.00 C ATOM 699 C GLY A 41 3.035 12.657 6.182 1.00 0.00 C ATOM 700 O GLY A 41 2.846 12.767 7.391 1.00 0.00 O ATOM 0 H GLY A 41 3.905 13.852 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.686 14.271 5.720 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.319 12.775 4.885 1.00 0.00 H new ATOM 704 N GLY A 42 4.023 11.899 5.676 1.00 0.00 N ATOM 705 CA GLY A 42 4.981 11.231 6.544 1.00 0.00 C ATOM 706 C GLY A 42 5.288 9.792 6.203 1.00 0.00 C ATOM 707 O GLY A 42 4.536 9.154 5.472 1.00 0.00 O ATOM 0 H GLY A 42 4.170 11.741 4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.913 11.795 6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.605 11.270 7.566 1.00 0.00 H new ATOM 711 N GLU A 43 6.322 9.265 6.862 1.00 0.00 N ATOM 712 CA GLU A 43 6.668 7.860 6.803 1.00 0.00 C ATOM 713 C GLU A 43 5.839 7.078 7.835 1.00 0.00 C ATOM 714 O GLU A 43 5.326 6.000 7.548 1.00 0.00 O ATOM 715 CB GLU A 43 8.184 7.704 7.057 1.00 0.00 C ATOM 716 CG GLU A 43 8.592 6.263 7.424 1.00 0.00 C ATOM 717 CD GLU A 43 10.080 5.956 7.254 1.00 0.00 C ATOM 718 OE1 GLU A 43 10.747 6.698 6.504 1.00 0.00 O ATOM 719 OE2 GLU A 43 10.514 4.942 7.845 1.00 0.00 O ATOM 0 H GLU A 43 6.943 9.815 7.455 1.00 0.00 H new ATOM 0 HA GLU A 43 6.440 7.454 5.817 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.729 8.013 6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.482 8.376 7.862 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.312 6.074 8.460 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.019 5.570 6.808 1.00 0.00 H new ATOM 726 N GLU A 44 5.725 7.600 9.061 1.00 0.00 N ATOM 727 CA GLU A 44 5.233 6.839 10.203 1.00 0.00 C ATOM 728 C GLU A 44 3.850 6.242 9.919 1.00 0.00 C ATOM 729 O GLU A 44 3.682 5.031 10.002 1.00 0.00 O ATOM 730 CB GLU A 44 5.272 7.691 11.480 1.00 0.00 C ATOM 731 CG GLU A 44 5.453 6.797 12.719 1.00 0.00 C ATOM 732 CD GLU A 44 5.400 7.578 14.028 1.00 0.00 C ATOM 733 OE1 GLU A 44 5.324 8.823 13.952 1.00 0.00 O ATOM 734 OE2 GLU A 44 5.451 6.910 15.083 1.00 0.00 O ATOM 0 H GLU A 44 5.973 8.564 9.284 1.00 0.00 H new ATOM 0 HA GLU A 44 5.898 5.992 10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.090 8.409 11.420 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.350 8.265 11.570 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.676 6.033 12.726 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.409 6.278 12.650 1.00 0.00 H new ATOM 741 N VAL A 45 2.871 7.059 9.511 1.00 0.00 N ATOM 742 CA VAL A 45 1.547 6.593 9.165 1.00 0.00 C ATOM 743 C VAL A 45 1.566 5.512 8.070 1.00 0.00 C ATOM 744 O VAL A 45 0.681 4.665 8.032 1.00 0.00 O ATOM 745 CB VAL A 45 0.698 7.832 8.832 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.064 8.471 7.484 1.00 0.00 C ATOM 747 CG2 VAL A 45 -0.767 7.511 8.907 1.00 0.00 C ATOM 0 H VAL A 45 2.989 8.068 9.415 1.00 0.00 H new ATOM 0 HA VAL A 45 1.087 6.074 10.006 1.00 0.00 H new ATOM 0 HB VAL A 45 0.928 8.580 9.590 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.429 9.339 7.309 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.108 8.782 7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.915 7.745 6.685 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.347 8.402 8.668 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.003 6.722 8.194 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.015 7.176 9.914 1.00 0.00 H new ATOM 757 N LEU A 46 2.583 5.481 7.200 1.00 0.00 N ATOM 758 CA LEU A 46 2.754 4.369 6.267 1.00 0.00 C ATOM 759 C LEU A 46 3.283 3.146 7.008 1.00 0.00 C ATOM 760 O LEU A 46 2.746 2.049 6.849 1.00 0.00 O ATOM 761 CB LEU A 46 3.694 4.747 5.114 1.00 0.00 C ATOM 762 CG LEU A 46 3.077 5.834 4.229 1.00 0.00 C ATOM 763 CD1 LEU A 46 4.174 6.660 3.561 1.00 0.00 C ATOM 764 CD2 LEU A 46 2.248 5.200 3.120 1.00 0.00 C ATOM 0 H LEU A 46 3.293 6.209 7.125 1.00 0.00 H new ATOM 0 HA LEU A 46 1.781 4.132 5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.644 5.098 5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.909 3.864 4.513 1.00 0.00 H new ATOM 0 HG LEU A 46 2.455 6.465 4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.721 7.429 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.791 7.132 4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.795 6.010 2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.814 5.982 2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.886 4.561 2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.450 4.602 3.559 1.00 0.00 H new ATOM 776 N ARG A 47 4.342 3.317 7.808 1.00 0.00 N ATOM 777 CA ARG A 47 4.958 2.188 8.499 1.00 0.00 C ATOM 778 C ARG A 47 4.122 1.645 9.666 1.00 0.00 C ATOM 779 O ARG A 47 4.413 0.553 10.152 1.00 0.00 O ATOM 780 CB ARG A 47 6.412 2.490 8.916 1.00 0.00 C ATOM 781 CG ARG A 47 7.386 1.503 8.243 1.00 0.00 C ATOM 782 CD ARG A 47 8.553 1.085 9.143 1.00 0.00 C ATOM 783 NE ARG A 47 9.250 -0.059 8.528 1.00 0.00 N ATOM 784 CZ ARG A 47 9.768 -1.110 9.188 1.00 0.00 C ATOM 785 NH1 ARG A 47 9.982 -1.039 10.506 1.00 0.00 N ATOM 786 NH2 ARG A 47 10.059 -2.238 8.534 1.00 0.00 N ATOM 0 H ARG A 47 4.784 4.218 7.989 1.00 0.00 H new ATOM 0 HA ARG A 47 4.989 1.381 7.767 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.671 3.512 8.638 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.507 2.421 10.000 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.836 0.613 7.939 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.783 1.958 7.336 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.243 1.918 9.276 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.186 0.814 10.133 1.00 0.00 H new ATOM 0 HE ARG A 47 9.348 -0.053 7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.752 -0.185 11.015 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.375 -1.839 11.003 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.888 -2.304 7.531 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.452 -3.033 9.038 1.00 0.00 H new ATOM 800 N GLU A 48 3.100 2.388 10.094 1.00 0.00 N ATOM 801 CA GLU A 48 2.197 2.086 11.192 1.00 0.00 C ATOM 802 C GLU A 48 1.763 0.623 11.184 1.00 0.00 C ATOM 803 O GLU A 48 2.008 -0.122 12.130 1.00 0.00 O ATOM 804 CB GLU A 48 0.987 3.034 11.085 1.00 0.00 C ATOM 805 CG GLU A 48 0.977 4.125 12.160 1.00 0.00 C ATOM 806 CD GLU A 48 0.514 3.561 13.496 1.00 0.00 C ATOM 807 OE1 GLU A 48 -0.721 3.467 13.660 1.00 0.00 O ATOM 808 OE2 GLU A 48 1.396 3.204 14.305 1.00 0.00 O ATOM 0 H GLU A 48 2.871 3.276 9.648 1.00 0.00 H new ATOM 0 HA GLU A 48 2.710 2.241 12.141 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.987 3.503 10.101 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.069 2.451 11.160 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.976 4.548 12.265 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.317 4.937 11.854 1.00 0.00 H new ATOM 815 N GLN A 49 1.111 0.225 10.093 1.00 0.00 N ATOM 816 CA GLN A 49 0.656 -1.137 9.895 1.00 0.00 C ATOM 817 C GLN A 49 1.641 -1.820 8.954 1.00 0.00 C ATOM 818 O GLN A 49 2.375 -2.724 9.355 1.00 0.00 O ATOM 819 CB GLN A 49 -0.771 -1.110 9.321 1.00 0.00 C ATOM 820 CG GLN A 49 -1.824 -0.795 10.396 1.00 0.00 C ATOM 821 CD GLN A 49 -2.230 -2.031 11.201 1.00 0.00 C ATOM 822 OE1 GLN A 49 -1.437 -2.938 11.424 1.00 0.00 O ATOM 823 NE2 GLN A 49 -3.488 -2.097 11.629 1.00 0.00 N ATOM 0 H GLN A 49 0.885 0.849 9.319 1.00 0.00 H new ATOM 0 HA GLN A 49 0.620 -1.695 10.831 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.828 -0.363 8.529 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.996 -2.075 8.866 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.431 -0.037 11.074 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.708 -0.369 9.920 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.134 -1.332 11.434 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.807 -2.912 12.152 1.00 0.00 H new ATOM 832 N ALA A 50 1.643 -1.349 7.703 1.00 0.00 N ATOM 833 CA ALA A 50 2.308 -1.973 6.566 1.00 0.00 C ATOM 834 C ALA A 50 1.858 -3.429 6.333 1.00 0.00 C ATOM 835 O ALA A 50 1.258 -4.061 7.198 1.00 0.00 O ATOM 836 CB ALA A 50 3.825 -1.826 6.715 1.00 0.00 C ATOM 0 H ALA A 50 1.160 -0.487 7.450 1.00 0.00 H new ATOM 0 HA ALA A 50 2.005 -1.448 5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.321 -2.293 5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.086 -0.768 6.752 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.149 -2.312 7.635 1.00 0.00 H new ATOM 842 N GLY A 51 2.127 -3.954 5.134 1.00 0.00 N ATOM 843 CA GLY A 51 1.809 -5.312 4.696 1.00 0.00 C ATOM 844 C GLY A 51 0.429 -5.788 5.158 1.00 0.00 C ATOM 845 O GLY A 51 0.309 -6.852 5.761 1.00 0.00 O ATOM 0 H GLY A 51 2.596 -3.414 4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.856 -5.356 3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.568 -5.996 5.076 1.00 0.00 H new ATOM 849 N GLY A 52 -0.620 -5.008 4.881 1.00 0.00 N ATOM 850 CA GLY A 52 -1.959 -5.301 5.346 1.00 0.00 C ATOM 851 C GLY A 52 -2.922 -4.262 4.790 1.00 0.00 C ATOM 852 O GLY A 52 -2.514 -3.348 4.061 1.00 0.00 O ATOM 0 H GLY A 52 -0.554 -4.155 4.325 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.258 -6.299 5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.988 -5.294 6.436 1.00 0.00 H new ATOM 856 N ASP A 53 -4.199 -4.429 5.138 1.00 0.00 N ATOM 857 CA ASP A 53 -5.280 -3.537 4.750 1.00 0.00 C ATOM 858 C ASP A 53 -5.156 -2.204 5.474 1.00 0.00 C ATOM 859 O ASP A 53 -5.743 -1.979 6.530 1.00 0.00 O ATOM 860 CB ASP A 53 -6.652 -4.179 4.985 1.00 0.00 C ATOM 861 CG ASP A 53 -7.766 -3.229 4.558 1.00 0.00 C ATOM 862 OD1 ASP A 53 -7.435 -2.226 3.881 1.00 0.00 O ATOM 863 OD2 ASP A 53 -8.927 -3.525 4.905 1.00 0.00 O ATOM 0 H ASP A 53 -4.513 -5.211 5.713 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.196 -3.350 3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.725 -5.110 4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.766 -4.432 6.039 1.00 0.00 H new ATOM 868 N ALA A 54 -4.385 -1.311 4.863 1.00 0.00 N ATOM 869 CA ALA A 54 -4.320 0.079 5.257 1.00 0.00 C ATOM 870 C ALA A 54 -5.434 0.914 4.608 1.00 0.00 C ATOM 871 O ALA A 54 -5.475 2.121 4.847 1.00 0.00 O ATOM 872 CB ALA A 54 -2.935 0.621 4.911 1.00 0.00 C ATOM 0 H ALA A 54 -3.783 -1.541 4.072 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.480 0.152 6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.871 1.669 5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.176 0.049 5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.767 0.532 3.838 1.00 0.00 H new ATOM 878 N THR A 55 -6.332 0.315 3.808 1.00 0.00 N ATOM 879 CA THR A 55 -7.454 1.036 3.211 1.00 0.00 C ATOM 880 C THR A 55 -8.196 1.833 4.275 1.00 0.00 C ATOM 881 O THR A 55 -8.371 3.032 4.107 1.00 0.00 O ATOM 882 CB THR A 55 -8.410 0.118 2.430 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.698 -0.858 1.706 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.218 0.935 1.420 1.00 0.00 C ATOM 0 H THR A 55 -6.296 -0.674 3.562 1.00 0.00 H new ATOM 0 HA THR A 55 -7.038 1.728 2.479 1.00 0.00 H new ATOM 0 HB THR A 55 -9.064 -0.361 3.159 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.638 -1.680 2.236 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.891 0.275 0.873 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.800 1.691 1.946 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.539 1.422 0.720 1.00 0.00 H new ATOM 892 N GLU A 56 -8.574 1.192 5.386 1.00 0.00 N ATOM 893 CA GLU A 56 -9.274 1.844 6.489 1.00 0.00 C ATOM 894 C GLU A 56 -8.588 3.166 6.869 1.00 0.00 C ATOM 895 O GLU A 56 -9.228 4.208 6.988 1.00 0.00 O ATOM 896 CB GLU A 56 -9.346 0.867 7.676 1.00 0.00 C ATOM 897 CG GLU A 56 -10.460 1.232 8.669 1.00 0.00 C ATOM 898 CD GLU A 56 -10.534 0.251 9.837 1.00 0.00 C ATOM 899 OE1 GLU A 56 -10.283 -0.950 9.599 1.00 0.00 O ATOM 900 OE2 GLU A 56 -10.849 0.719 10.952 1.00 0.00 O ATOM 0 H GLU A 56 -8.400 0.199 5.543 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.289 2.100 6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.513 -0.143 7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.388 0.860 8.196 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.288 2.238 9.052 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.418 1.248 8.149 1.00 0.00 H new ATOM 907 N ASN A 57 -7.263 3.124 7.015 1.00 0.00 N ATOM 908 CA ASN A 57 -6.465 4.258 7.460 1.00 0.00 C ATOM 909 C ASN A 57 -6.389 5.325 6.360 1.00 0.00 C ATOM 910 O ASN A 57 -6.579 6.511 6.606 1.00 0.00 O ATOM 911 CB ASN A 57 -5.082 3.739 7.878 1.00 0.00 C ATOM 912 CG ASN A 57 -4.431 4.606 8.951 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.578 5.821 8.968 1.00 0.00 O ATOM 914 ND2 ASN A 57 -3.676 3.981 9.854 1.00 0.00 N ATOM 0 H ASN A 57 -6.710 2.288 6.824 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.927 4.742 8.321 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.178 2.719 8.249 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.433 3.701 7.003 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.204 4.516 10.582 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.571 2.967 9.817 1.00 0.00 H new ATOM 921 N PHE A 58 -6.147 4.899 5.118 1.00 0.00 N ATOM 922 CA PHE A 58 -6.167 5.773 3.947 1.00 0.00 C ATOM 923 C PHE A 58 -7.543 6.419 3.725 1.00 0.00 C ATOM 924 O PHE A 58 -7.623 7.523 3.181 1.00 0.00 O ATOM 925 CB PHE A 58 -5.694 4.969 2.730 1.00 0.00 C ATOM 926 CG PHE A 58 -5.921 5.581 1.356 1.00 0.00 C ATOM 927 CD1 PHE A 58 -7.208 5.555 0.787 1.00 0.00 C ATOM 928 CD2 PHE A 58 -4.848 6.098 0.603 1.00 0.00 C ATOM 929 CE1 PHE A 58 -7.453 6.186 -0.442 1.00 0.00 C ATOM 930 CE2 PHE A 58 -5.088 6.718 -0.636 1.00 0.00 C ATOM 931 CZ PHE A 58 -6.394 6.776 -1.153 1.00 0.00 C ATOM 0 H PHE A 58 -5.930 3.927 4.897 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.485 6.608 4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.626 4.783 2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.191 3.999 2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -8.011 5.047 1.299 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.839 6.018 0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.456 6.218 -0.842 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.268 7.150 -1.191 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.583 7.272 -2.093 1.00 0.00 H new ATOM 941 N GLU A 59 -8.615 5.726 4.112 1.00 0.00 N ATOM 942 CA GLU A 59 -9.988 6.188 3.986 1.00 0.00 C ATOM 943 C GLU A 59 -10.335 7.154 5.115 1.00 0.00 C ATOM 944 O GLU A 59 -10.979 8.162 4.842 1.00 0.00 O ATOM 945 CB GLU A 59 -10.953 4.997 3.947 1.00 0.00 C ATOM 946 CG GLU A 59 -10.922 4.290 2.584 1.00 0.00 C ATOM 947 CD GLU A 59 -11.542 5.138 1.479 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.775 5.326 1.533 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.774 5.575 0.595 1.00 0.00 O ATOM 0 H GLU A 59 -8.544 4.800 4.534 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.091 6.730 3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.689 4.288 4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.966 5.341 4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.890 4.054 2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.457 3.343 2.656 1.00 0.00 H new ATOM 956 N ASP A 60 -9.880 6.893 6.347 1.00 0.00 N ATOM 957 CA ASP A 60 -9.994 7.831 7.466 1.00 0.00 C ATOM 958 C ASP A 60 -9.606 9.244 7.008 1.00 0.00 C ATOM 959 O ASP A 60 -10.380 10.190 7.135 1.00 0.00 O ATOM 960 CB ASP A 60 -9.116 7.348 8.631 1.00 0.00 C ATOM 961 CG ASP A 60 -9.171 8.282 9.833 1.00 0.00 C ATOM 962 OD1 ASP A 60 -8.555 9.365 9.738 1.00 0.00 O ATOM 963 OD2 ASP A 60 -9.784 7.875 10.841 1.00 0.00 O ATOM 0 H ASP A 60 -9.419 6.017 6.595 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.026 7.870 7.814 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.438 6.352 8.935 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.084 7.260 8.291 1.00 0.00 H new ATOM 968 N VAL A 61 -8.429 9.360 6.384 1.00 0.00 N ATOM 969 CA VAL A 61 -7.970 10.623 5.812 1.00 0.00 C ATOM 970 C VAL A 61 -8.770 11.095 4.596 1.00 0.00 C ATOM 971 O VAL A 61 -8.810 12.296 4.339 1.00 0.00 O ATOM 972 CB VAL A 61 -6.452 10.641 5.575 1.00 0.00 C ATOM 973 CG1 VAL A 61 -5.701 10.731 6.906 1.00 0.00 C ATOM 974 CG2 VAL A 61 -5.956 9.443 4.797 1.00 0.00 C ATOM 0 H VAL A 61 -7.775 8.586 6.264 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.177 11.371 6.577 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.251 11.526 4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.627 10.743 6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.988 11.646 7.425 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.952 9.869 7.524 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.877 9.517 4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.193 8.530 5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.441 9.417 3.821 1.00 0.00 H new ATOM 984 N GLY A 62 -9.398 10.189 3.843 1.00 0.00 N ATOM 985 CA GLY A 62 -10.205 10.553 2.688 1.00 0.00 C ATOM 986 C GLY A 62 -9.368 11.353 1.692 1.00 0.00 C ATOM 987 O GLY A 62 -9.674 12.504 1.384 1.00 0.00 O ATOM 0 H GLY A 62 -9.358 9.185 4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.594 9.654 2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.065 11.142 3.007 1.00 0.00 H new ATOM 991 N HIS A 63 -8.285 10.727 1.224 1.00 0.00 N ATOM 992 CA HIS A 63 -7.253 11.346 0.407 1.00 0.00 C ATOM 993 C HIS A 63 -7.776 12.150 -0.792 1.00 0.00 C ATOM 994 O HIS A 63 -8.829 11.862 -1.362 1.00 0.00 O ATOM 995 CB HIS A 63 -6.322 10.257 -0.121 1.00 0.00 C ATOM 996 CG HIS A 63 -5.256 9.818 0.839 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.366 8.818 1.772 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.950 10.228 0.817 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.145 8.642 2.302 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.238 9.471 1.752 1.00 0.00 N ATOM 0 H HIS A 63 -8.102 9.742 1.413 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.745 12.056 1.059 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.921 9.390 -0.398 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.844 10.618 -1.032 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.214 8.306 2.016 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.540 11.003 0.186 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.918 7.923 3.075 1.00 0.00 H new ATOM 1008 N SER A 64 -6.961 13.118 -1.218 1.00 0.00 N ATOM 1009 CA SER A 64 -7.191 13.966 -2.369 1.00 0.00 C ATOM 1010 C SER A 64 -7.233 13.156 -3.665 1.00 0.00 C ATOM 1011 O SER A 64 -6.726 12.037 -3.741 1.00 0.00 O ATOM 1012 CB SER A 64 -6.056 14.998 -2.422 1.00 0.00 C ATOM 1013 OG SER A 64 -5.798 15.464 -1.110 1.00 0.00 O ATOM 0 H SER A 64 -6.085 13.334 -0.742 1.00 0.00 H new ATOM 0 HA SER A 64 -8.159 14.458 -2.272 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.158 14.549 -2.846 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.333 15.830 -3.070 1.00 0.00 H new ATOM 0 HG SER A 64 -5.190 16.232 -1.149 1.00 0.00 H new ATOM 1019 N THR A 65 -7.786 13.755 -4.721 1.00 0.00 N ATOM 1020 CA THR A 65 -7.837 13.115 -6.028 1.00 0.00 C ATOM 1021 C THR A 65 -6.429 12.780 -6.532 1.00 0.00 C ATOM 1022 O THR A 65 -6.207 11.673 -7.014 1.00 0.00 O ATOM 1023 CB THR A 65 -8.655 13.971 -7.005 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.990 14.032 -6.540 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.668 13.365 -8.410 1.00 0.00 C ATOM 0 H THR A 65 -8.205 14.685 -4.692 1.00 0.00 H new ATOM 0 HA THR A 65 -8.354 12.159 -5.945 1.00 0.00 H new ATOM 0 HB THR A 65 -8.200 14.960 -7.056 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.525 14.577 -7.153 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.257 13.998 -9.074 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.647 13.295 -8.786 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.110 12.369 -8.373 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.471 13.701 -6.373 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.078 13.469 -6.740 1.00 0.00 C ATOM 1035 C ASP A 66 -3.595 12.116 -6.236 1.00 0.00 C ATOM 1036 O ASP A 66 -3.103 11.313 -7.017 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.179 14.585 -6.198 1.00 0.00 C ATOM 1038 CG ASP A 66 -3.172 15.774 -7.142 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -4.255 16.386 -7.263 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -2.098 16.028 -7.727 1.00 0.00 O ATOM 0 H ASP A 66 -5.645 14.628 -5.985 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.019 13.470 -7.828 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.531 14.897 -5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.163 14.211 -6.069 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.757 11.846 -4.940 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.352 10.584 -4.339 1.00 0.00 C ATOM 1047 C ALA A 67 -3.949 9.381 -5.072 1.00 0.00 C ATOM 1048 O ALA A 67 -3.247 8.392 -5.263 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.743 10.560 -2.866 1.00 0.00 C ATOM 0 H ALA A 67 -4.175 12.501 -4.279 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.268 10.508 -4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.436 9.612 -2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.249 11.380 -2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.824 10.670 -2.775 1.00 0.00 H new ATOM 1055 N ARG A 68 -5.218 9.445 -5.494 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.800 8.357 -6.280 1.00 0.00 C ATOM 1057 C ARG A 68 -4.960 8.048 -7.522 1.00 0.00 C ATOM 1058 O ARG A 68 -4.747 6.876 -7.828 1.00 0.00 O ATOM 1059 CB ARG A 68 -7.270 8.617 -6.646 1.00 0.00 C ATOM 1060 CG ARG A 68 -8.154 8.612 -5.387 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.341 7.629 -5.458 1.00 0.00 C ATOM 1062 NE ARG A 68 -10.633 8.325 -5.602 1.00 0.00 N ATOM 1063 CZ ARG A 68 -11.785 7.769 -6.019 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -11.808 6.502 -6.449 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -12.917 8.482 -6.002 1.00 0.00 N ATOM 0 H ARG A 68 -5.849 10.224 -5.308 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.788 7.473 -5.643 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.359 9.577 -7.155 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.617 7.854 -7.343 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.538 8.360 -4.524 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.538 9.618 -5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.199 6.951 -6.300 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.358 7.017 -4.556 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.655 9.317 -5.364 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.949 5.952 -6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.685 6.086 -6.764 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.907 9.447 -5.673 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.790 8.060 -6.318 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.450 9.066 -8.216 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.617 8.839 -9.389 1.00 0.00 C ATOM 1081 C GLU A 69 -2.172 8.506 -9.000 1.00 0.00 C ATOM 1082 O GLU A 69 -1.575 7.570 -9.527 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.706 10.039 -10.340 1.00 0.00 C ATOM 1084 CG GLU A 69 -5.039 10.020 -11.105 1.00 0.00 C ATOM 1085 CD GLU A 69 -5.148 8.803 -12.028 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -4.315 8.724 -12.955 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -6.024 7.943 -11.772 1.00 0.00 O ATOM 0 H GLU A 69 -4.600 10.048 -7.985 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.996 7.966 -9.921 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.617 10.967 -9.774 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.875 10.015 -11.045 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.866 10.012 -10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.133 10.932 -11.694 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.598 9.242 -8.051 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.242 9.015 -7.576 1.00 0.00 C ATOM 1096 C LEU A 70 -0.089 7.571 -7.091 1.00 0.00 C ATOM 1097 O LEU A 70 0.927 6.929 -7.345 1.00 0.00 O ATOM 1098 CB LEU A 70 0.100 10.013 -6.462 1.00 0.00 C ATOM 1099 CG LEU A 70 1.608 10.303 -6.407 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.015 11.296 -7.503 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.978 10.881 -5.038 1.00 0.00 C ATOM 0 H LEU A 70 -2.069 10.019 -7.588 1.00 0.00 H new ATOM 0 HA LEU A 70 0.457 9.172 -8.398 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.444 10.943 -6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.230 9.615 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 70 2.140 9.365 -6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.087 11.485 -7.443 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.774 10.878 -8.480 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.473 12.232 -7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.048 11.084 -5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.428 11.807 -4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.722 10.163 -4.259 1.00 0.00 H new ATOM 1113 N SER A 71 -1.119 7.039 -6.424 1.00 0.00 N ATOM 1114 CA SER A 71 -1.152 5.643 -6.027 1.00 0.00 C ATOM 1115 C SER A 71 -0.872 4.752 -7.233 1.00 0.00 C ATOM 1116 O SER A 71 -0.048 3.851 -7.153 1.00 0.00 O ATOM 1117 CB SER A 71 -2.479 5.289 -5.341 1.00 0.00 C ATOM 1118 OG SER A 71 -3.538 5.058 -6.250 1.00 0.00 O ATOM 0 H SER A 71 -1.946 7.569 -6.149 1.00 0.00 H new ATOM 0 HA SER A 71 -0.367 5.468 -5.291 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.336 4.399 -4.728 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.759 6.099 -4.667 1.00 0.00 H new ATOM 0 HG SER A 71 -3.792 5.902 -6.678 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.523 5.023 -8.364 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.354 4.270 -9.595 1.00 0.00 C ATOM 1126 C LYS A 72 0.129 4.216 -9.982 1.00 0.00 C ATOM 1127 O LYS A 72 0.653 3.147 -10.275 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.258 4.865 -10.688 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.258 3.853 -11.258 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.438 4.633 -11.851 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.354 3.729 -12.689 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.776 3.945 -12.357 1.00 0.00 N ATOM 0 H LYS A 72 -2.194 5.787 -8.446 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.667 3.235 -9.457 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.804 5.714 -10.277 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.636 5.247 -11.497 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.784 3.239 -12.024 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.603 3.177 -10.476 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.014 5.088 -11.046 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.061 5.445 -12.472 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.192 3.927 -13.749 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.093 2.685 -12.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.368 3.319 -12.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.934 3.732 -11.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.030 4.936 -12.545 1.00 0.00 H new ATOM 1146 N THR A 73 0.839 5.341 -9.901 1.00 0.00 N ATOM 1147 CA THR A 73 2.282 5.385 -10.107 1.00 0.00 C ATOM 1148 C THR A 73 3.066 4.463 -9.149 1.00 0.00 C ATOM 1149 O THR A 73 4.167 4.036 -9.490 1.00 0.00 O ATOM 1150 CB THR A 73 2.731 6.859 -10.077 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.474 7.441 -11.339 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.199 7.069 -9.718 1.00 0.00 C ATOM 0 H THR A 73 0.426 6.249 -9.690 1.00 0.00 H new ATOM 0 HA THR A 73 2.521 4.972 -11.087 1.00 0.00 H new ATOM 0 HB THR A 73 2.157 7.336 -9.283 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.755 8.380 -11.330 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.425 8.135 -9.721 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.393 6.660 -8.727 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.829 6.562 -10.449 1.00 0.00 H new ATOM 1160 N TYR A 74 2.516 4.129 -7.978 1.00 0.00 N ATOM 1161 CA TYR A 74 3.121 3.231 -6.993 1.00 0.00 C ATOM 1162 C TYR A 74 2.506 1.827 -7.038 1.00 0.00 C ATOM 1163 O TYR A 74 2.820 0.977 -6.198 1.00 0.00 O ATOM 1164 CB TYR A 74 2.943 3.836 -5.596 1.00 0.00 C ATOM 1165 CG TYR A 74 3.738 5.105 -5.348 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.144 5.087 -5.421 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.075 6.313 -5.069 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.871 6.291 -5.349 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.805 7.507 -4.966 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.195 7.509 -5.164 1.00 0.00 C ATOM 1171 OH TYR A 74 5.860 8.701 -5.210 1.00 0.00 O ATOM 0 H TYR A 74 1.609 4.488 -7.681 1.00 0.00 H new ATOM 0 HA TYR A 74 4.179 3.126 -7.231 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.886 4.050 -5.440 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.231 3.092 -4.853 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.666 4.148 -5.532 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.004 6.322 -4.934 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.947 6.278 -5.436 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.295 8.430 -4.733 1.00 0.00 H new ATOM 0 HH TYR A 74 5.928 9.073 -4.306 1.00 0.00 H new ATOM 1181 N ILE A 75 1.605 1.575 -7.990 1.00 0.00 N ATOM 1182 CA ILE A 75 0.938 0.292 -8.119 1.00 0.00 C ATOM 1183 C ILE A 75 1.962 -0.732 -8.590 1.00 0.00 C ATOM 1184 O ILE A 75 2.578 -0.571 -9.642 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.307 0.412 -9.022 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.417 -0.564 -8.589 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.012 0.207 -10.521 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.792 -0.097 -9.083 1.00 0.00 C ATOM 0 H ILE A 75 1.322 2.260 -8.691 1.00 0.00 H new ATOM 0 HA ILE A 75 0.551 -0.052 -7.160 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.645 1.440 -8.893 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.205 -1.558 -8.983 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.427 -0.648 -7.502 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.936 0.306 -11.091 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.704 0.957 -10.857 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.405 -0.788 -10.677 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.554 -0.807 -8.762 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.013 0.886 -8.668 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.787 -0.038 -10.171 1.00 0.00 H new ATOM 1200 N ILE A 76 2.164 -1.781 -7.801 1.00 0.00 N ATOM 1201 CA ILE A 76 3.044 -2.867 -8.197 1.00 0.00 C ATOM 1202 C ILE A 76 2.208 -3.944 -8.882 1.00 0.00 C ATOM 1203 O ILE A 76 2.572 -4.424 -9.960 1.00 0.00 O ATOM 1204 CB ILE A 76 3.883 -3.351 -6.999 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.063 -3.437 -5.698 1.00 0.00 C ATOM 1206 CG2 ILE A 76 5.052 -2.367 -6.818 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.749 -4.261 -4.612 1.00 0.00 C ATOM 0 H ILE A 76 1.730 -1.900 -6.886 1.00 0.00 H new ATOM 0 HA ILE A 76 3.783 -2.536 -8.927 1.00 0.00 H new ATOM 0 HB ILE A 76 4.239 -4.360 -7.207 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.882 -2.430 -5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.089 -3.875 -5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.666 -2.683 -5.975 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.658 -2.352 -7.724 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.660 -1.368 -6.627 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.121 -4.283 -3.721 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.906 -5.278 -4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.711 -3.811 -4.367 1.00 0.00 H new ATOM 1219 N GLY A 77 1.058 -4.272 -8.290 1.00 0.00 N ATOM 1220 CA GLY A 77 0.197 -5.348 -8.736 1.00 0.00 C ATOM 1221 C GLY A 77 -1.115 -5.299 -7.969 1.00 0.00 C ATOM 1222 O GLY A 77 -1.498 -4.240 -7.467 1.00 0.00 O ATOM 0 H GLY A 77 0.700 -3.781 -7.471 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.009 -5.258 -9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.687 -6.309 -8.579 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.796 -6.439 -7.863 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.109 -6.540 -7.262 1.00 0.00 C ATOM 1228 C GLU A 78 -3.227 -7.731 -6.318 1.00 0.00 C ATOM 1229 O GLU A 78 -2.407 -8.647 -6.326 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.203 -6.499 -8.338 1.00 0.00 C ATOM 1231 CG GLU A 78 -3.898 -7.414 -9.531 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.137 -7.638 -10.385 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -6.177 -8.027 -9.804 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -5.058 -7.401 -11.607 1.00 0.00 O ATOM 0 H GLU A 78 -1.436 -7.331 -8.202 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.258 -5.666 -6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.154 -6.793 -7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.320 -5.475 -8.692 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.109 -6.972 -10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.523 -8.372 -9.171 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.218 -7.648 -5.430 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.482 -8.654 -4.419 1.00 0.00 C ATOM 1243 C LEU A 79 -4.987 -9.919 -5.114 1.00 0.00 C ATOM 1244 O LEU A 79 -5.878 -9.812 -5.955 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.528 -8.075 -3.459 1.00 0.00 C ATOM 1246 CG LEU A 79 -6.119 -9.098 -2.482 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -5.033 -9.692 -1.576 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -7.215 -8.420 -1.647 1.00 0.00 C ATOM 0 H LEU A 79 -4.868 -6.862 -5.398 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.588 -8.917 -3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.073 -7.266 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.338 -7.637 -4.043 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.552 -9.922 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.483 -10.414 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.281 -10.190 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.562 -8.894 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.640 -9.142 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.785 -7.587 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.999 -8.049 -2.308 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.425 -11.086 -4.773 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.738 -12.379 -5.375 1.00 0.00 C ATOM 1262 C HIS A 80 -6.243 -12.543 -5.642 1.00 0.00 C ATOM 1263 O HIS A 80 -7.048 -12.207 -4.768 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.208 -13.490 -4.461 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.959 -14.797 -5.166 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.559 -16.003 -4.888 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -3.035 -15.014 -6.154 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -4.033 -16.919 -5.719 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -3.101 -16.363 -6.509 1.00 0.00 N ATOM 0 H HIS A 80 -3.715 -11.153 -4.044 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.250 -12.442 -6.348 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.279 -13.155 -4.000 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.922 -13.654 -3.654 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.374 -14.274 -6.582 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.321 -17.960 -5.747 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.550 -16.833 -7.227 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.651 -13.054 -6.818 1.00 0.00 N ATOM 1278 CA PRO A 81 -8.052 -13.061 -7.199 1.00 0.00 C ATOM 1279 C PRO A 81 -8.874 -13.909 -6.223 1.00 0.00 C ATOM 1280 O PRO A 81 -10.032 -13.595 -5.954 1.00 0.00 O ATOM 1281 CB PRO A 81 -8.112 -13.548 -8.649 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.765 -14.222 -8.920 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.846 -13.800 -7.776 1.00 0.00 C ATOM 0 HA PRO A 81 -8.498 -12.068 -7.144 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.935 -14.248 -8.792 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.278 -12.716 -9.334 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.871 -15.306 -8.956 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.359 -13.910 -9.882 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.398 -14.674 -7.302 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.027 -13.185 -8.149 1.00 0.00 H new ATOM 1291 N ASP A 82 -8.242 -14.946 -5.660 1.00 0.00 N ATOM 1292 CA ASP A 82 -8.795 -15.789 -4.612 1.00 0.00 C ATOM 1293 C ASP A 82 -9.422 -14.941 -3.497 1.00 0.00 C ATOM 1294 O ASP A 82 -10.604 -15.085 -3.183 1.00 0.00 O ATOM 1295 CB ASP A 82 -7.677 -16.690 -4.071 1.00 0.00 C ATOM 1296 CG ASP A 82 -8.249 -17.860 -3.291 1.00 0.00 C ATOM 1297 OD1 ASP A 82 -8.582 -18.864 -3.954 1.00 0.00 O ATOM 1298 OD2 ASP A 82 -8.321 -17.734 -2.052 1.00 0.00 O ATOM 0 H ASP A 82 -7.300 -15.224 -5.936 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.593 -16.410 -5.020 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.072 -17.061 -4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.016 -16.109 -3.428 1.00 0.00 H new ATOM 1303 N ASP A 83 -8.638 -14.004 -2.948 1.00 0.00 N ATOM 1304 CA ASP A 83 -9.084 -13.129 -1.873 1.00 0.00 C ATOM 1305 C ASP A 83 -9.949 -12.003 -2.428 1.00 0.00 C ATOM 1306 O ASP A 83 -11.006 -11.694 -1.883 1.00 0.00 O ATOM 1307 CB ASP A 83 -7.882 -12.563 -1.114 1.00 0.00 C ATOM 1308 CG ASP A 83 -8.334 -11.759 0.103 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -9.200 -12.272 0.840 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -7.785 -10.655 0.293 1.00 0.00 O ATOM 0 H ASP A 83 -7.676 -13.837 -3.242 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.686 -13.712 -1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.232 -13.378 -0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.295 -11.927 -1.777 1.00 0.00 H new ATOM 1315 N ARG A 84 -9.529 -11.411 -3.552 1.00 0.00 N ATOM 1316 CA ARG A 84 -10.263 -10.332 -4.209 1.00 0.00 C ATOM 1317 C ARG A 84 -11.715 -10.736 -4.511 1.00 0.00 C ATOM 1318 O ARG A 84 -12.586 -9.873 -4.585 1.00 0.00 O ATOM 1319 CB ARG A 84 -9.518 -9.896 -5.482 1.00 0.00 C ATOM 1320 CG ARG A 84 -9.919 -8.497 -5.968 1.00 0.00 C ATOM 1321 CD ARG A 84 -9.151 -8.095 -7.245 1.00 0.00 C ATOM 1322 NE ARG A 84 -10.032 -7.363 -8.170 1.00 0.00 N ATOM 1323 CZ ARG A 84 -9.719 -6.908 -9.397 1.00 0.00 C ATOM 1324 NH1 ARG A 84 -8.480 -6.980 -9.884 1.00 0.00 N ATOM 1325 NH2 ARG A 84 -10.677 -6.372 -10.160 1.00 0.00 N ATOM 0 H ARG A 84 -8.666 -11.671 -4.031 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.313 -9.482 -3.529 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.445 -9.914 -5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.713 -10.619 -6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.991 -8.474 -6.165 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.724 -7.768 -5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.295 -7.474 -6.981 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.759 -8.986 -7.736 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.982 -7.181 -7.846 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.734 -7.390 -9.322 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.278 -6.625 -10.819 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.633 -6.311 -9.810 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.452 -6.024 -11.092 1.00 0.00 H new ATOM 1339 N SER A 85 -11.988 -12.032 -4.699 1.00 0.00 N ATOM 1340 CA SER A 85 -13.334 -12.546 -4.923 1.00 0.00 C ATOM 1341 C SER A 85 -14.162 -12.651 -3.627 1.00 0.00 C ATOM 1342 O SER A 85 -15.386 -12.732 -3.709 1.00 0.00 O ATOM 1343 CB SER A 85 -13.237 -13.892 -5.659 1.00 0.00 C ATOM 1344 OG SER A 85 -14.491 -14.303 -6.173 1.00 0.00 O ATOM 0 H SER A 85 -11.270 -12.757 -4.699 1.00 0.00 H new ATOM 0 HA SER A 85 -13.876 -11.833 -5.545 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.519 -13.809 -6.475 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.857 -14.653 -4.977 1.00 0.00 H new ATOM 0 HG SER A 85 -14.390 -15.161 -6.635 1.00 0.00 H new ATOM 1350 N LYS A 86 -13.542 -12.661 -2.437 1.00 0.00 N ATOM 1351 CA LYS A 86 -14.252 -12.930 -1.188 1.00 0.00 C ATOM 1352 C LYS A 86 -13.673 -12.158 0.011 1.00 0.00 C ATOM 1353 O LYS A 86 -13.334 -12.743 1.036 1.00 0.00 O ATOM 1354 CB LYS A 86 -14.310 -14.454 -0.947 1.00 0.00 C ATOM 1355 CG LYS A 86 -15.694 -14.862 -0.427 1.00 0.00 C ATOM 1356 CD LYS A 86 -15.610 -16.067 0.515 1.00 0.00 C ATOM 1357 CE LYS A 86 -17.031 -16.537 0.860 1.00 0.00 C ATOM 1358 NZ LYS A 86 -17.059 -17.436 2.033 1.00 0.00 N ATOM 0 H LYS A 86 -12.544 -12.484 -2.319 1.00 0.00 H new ATOM 0 HA LYS A 86 -15.271 -12.557 -1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -14.093 -14.984 -1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.544 -14.744 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.149 -14.021 0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.343 -15.102 -1.269 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.051 -16.875 0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.073 -15.797 1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.660 -15.669 1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.459 -17.053 0.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -18.039 -17.725 2.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.481 -18.279 1.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.676 -16.937 2.862 1.00 0.00 H new ATOM 1372 N ILE A 87 -13.634 -10.827 -0.092 1.00 0.00 N ATOM 1373 CA ILE A 87 -13.027 -9.968 0.926 1.00 0.00 C ATOM 1374 C ILE A 87 -13.901 -9.914 2.189 1.00 0.00 C ATOM 1375 O ILE A 87 -13.434 -10.171 3.296 1.00 0.00 O ATOM 1376 CB ILE A 87 -12.743 -8.545 0.382 1.00 0.00 C ATOM 1377 CG1 ILE A 87 -12.533 -8.488 -1.143 1.00 0.00 C ATOM 1378 CG2 ILE A 87 -11.513 -7.969 1.097 1.00 0.00 C ATOM 1379 CD1 ILE A 87 -13.869 -8.280 -1.874 1.00 0.00 C ATOM 0 H ILE A 87 -14.023 -10.315 -0.884 1.00 0.00 H new ATOM 0 HA ILE A 87 -12.067 -10.408 1.196 1.00 0.00 H new ATOM 0 HB ILE A 87 -13.632 -7.949 0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -11.849 -7.676 -1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -12.067 -9.412 -1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -11.308 -6.968 0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.705 -7.920 2.169 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.651 -8.610 0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -13.694 -8.243 -2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -14.542 -9.106 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -14.320 -7.343 -1.548 1.00 0.00 H new ATOM 1391 N ALA A 88 -15.183 -9.566 2.011 1.00 0.00 N ATOM 1392 CA ALA A 88 -16.141 -9.325 3.086 1.00 0.00 C ATOM 1393 C ALA A 88 -15.655 -8.221 4.043 1.00 0.00 C ATOM 1394 O ALA A 88 -14.796 -7.427 3.670 1.00 0.00 O ATOM 1395 CB ALA A 88 -16.472 -10.649 3.789 1.00 0.00 C ATOM 0 H ALA A 88 -15.589 -9.442 1.084 1.00 0.00 H new ATOM 0 HA ALA A 88 -17.071 -8.943 2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -17.187 -10.466 4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.903 -11.345 3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.561 -11.077 4.206 1.00 0.00 H new ATOM 1401 N LYS A 89 -16.225 -8.153 5.255 1.00 0.00 N ATOM 1402 CA LYS A 89 -15.825 -7.229 6.317 1.00 0.00 C ATOM 1403 C LYS A 89 -15.771 -5.769 5.828 1.00 0.00 C ATOM 1404 O LYS A 89 -14.682 -5.221 5.660 1.00 0.00 O ATOM 1405 CB LYS A 89 -14.478 -7.693 6.899 1.00 0.00 C ATOM 1406 CG LYS A 89 -14.089 -6.949 8.186 1.00 0.00 C ATOM 1407 CD LYS A 89 -12.573 -7.060 8.383 1.00 0.00 C ATOM 1408 CE LYS A 89 -12.162 -6.601 9.789 1.00 0.00 C ATOM 1409 NZ LYS A 89 -10.698 -6.436 9.906 1.00 0.00 N ATOM 0 H LYS A 89 -16.999 -8.759 5.527 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.579 -7.246 7.104 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -14.527 -8.762 7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.697 -7.548 6.152 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.385 -5.902 8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.613 -7.376 9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.258 -8.092 8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.061 -6.454 7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.654 -5.657 10.021 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.506 -7.329 10.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.460 -6.125 10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.230 -7.343 9.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.373 -5.723 9.222 1.00 0.00 H new ATOM 1423 N PRO A 90 -16.921 -5.108 5.624 1.00 0.00 N ATOM 1424 CA PRO A 90 -16.934 -3.738 5.143 1.00 0.00 C ATOM 1425 C PRO A 90 -16.356 -2.801 6.212 1.00 0.00 C ATOM 1426 O PRO A 90 -16.722 -2.881 7.383 1.00 0.00 O ATOM 1427 CB PRO A 90 -18.394 -3.434 4.802 1.00 0.00 C ATOM 1428 CG PRO A 90 -19.192 -4.383 5.697 1.00 0.00 C ATOM 1429 CD PRO A 90 -18.265 -5.583 5.911 1.00 0.00 C ATOM 0 HA PRO A 90 -16.311 -3.591 4.261 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -18.642 -2.392 5.005 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -18.602 -3.612 3.747 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -19.453 -3.910 6.644 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -20.126 -4.683 5.223 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -18.337 -5.954 6.933 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -18.536 -6.408 5.252 1.00 0.00 H new ATOM 1437 N SER A 91 -15.419 -1.941 5.809 1.00 0.00 N ATOM 1438 CA SER A 91 -14.758 -0.975 6.667 1.00 0.00 C ATOM 1439 C SER A 91 -15.588 0.308 6.703 1.00 0.00 C ATOM 1440 O SER A 91 -15.560 1.069 5.736 1.00 0.00 O ATOM 1441 CB SER A 91 -13.378 -0.702 6.060 1.00 0.00 C ATOM 1442 OG SER A 91 -13.544 -0.448 4.675 1.00 0.00 O ATOM 0 H SER A 91 -15.094 -1.902 4.843 1.00 0.00 H new ATOM 0 HA SER A 91 -14.655 -1.347 7.686 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.910 0.152 6.549 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.720 -1.557 6.213 1.00 0.00 H new ATOM 0 HG SER A 91 -14.298 0.164 4.543 1.00 0.00 H new ATOM 1448 N GLU A 92 -16.298 0.548 7.807 1.00 0.00 N ATOM 1449 CA GLU A 92 -17.066 1.761 8.046 1.00 0.00 C ATOM 1450 C GLU A 92 -16.421 2.525 9.202 1.00 0.00 C ATOM 1451 O GLU A 92 -16.222 1.964 10.278 1.00 0.00 O ATOM 1452 CB GLU A 92 -18.522 1.376 8.352 1.00 0.00 C ATOM 1453 CG GLU A 92 -19.325 1.229 7.049 1.00 0.00 C ATOM 1454 CD GLU A 92 -20.389 0.143 7.145 1.00 0.00 C ATOM 1455 OE1 GLU A 92 -21.262 0.281 8.027 1.00 0.00 O ATOM 1456 OE2 GLU A 92 -20.307 -0.806 6.335 1.00 0.00 O ATOM 0 H GLU A 92 -16.353 -0.118 8.578 1.00 0.00 H new ATOM 0 HA GLU A 92 -17.069 2.408 7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -18.547 0.440 8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -18.980 2.136 8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -19.800 2.180 6.809 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -18.645 0.997 6.230 1.00 0.00 H new ATOM 1463 N THR A 93 -16.111 3.802 8.976 1.00 0.00 N ATOM 1464 CA THR A 93 -15.732 4.759 10.002 1.00 0.00 C ATOM 1465 C THR A 93 -16.450 6.063 9.676 1.00 0.00 C ATOM 1466 O THR A 93 -16.999 6.210 8.582 1.00 0.00 O ATOM 1467 CB THR A 93 -14.201 4.919 10.095 1.00 0.00 C ATOM 1468 OG1 THR A 93 -13.864 5.820 11.139 1.00 0.00 O ATOM 1469 CG2 THR A 93 -13.533 5.359 8.787 1.00 0.00 C ATOM 0 H THR A 93 -16.119 4.207 8.040 1.00 0.00 H new ATOM 0 HA THR A 93 -16.032 4.413 10.991 1.00 0.00 H new ATOM 0 HB THR A 93 -13.812 3.924 10.312 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.766 6.723 10.772 1.00 0.00 H new ATOM 0 HG21 THR A 93 -12.457 5.447 8.940 1.00 0.00 H new ATOM 0 HG22 THR A 93 -13.730 4.619 8.011 1.00 0.00 H new ATOM 0 HG23 THR A 93 -13.936 6.324 8.479 1.00 0.00 H new ATOM 1477 N LEU A 94 -16.441 6.981 10.638 1.00 0.00 N ATOM 1478 CA LEU A 94 -16.726 8.385 10.417 1.00 0.00 C ATOM 1479 C LEU A 94 -15.362 9.070 10.337 1.00 0.00 C ATOM 1480 O LEU A 94 -14.383 8.404 10.755 1.00 0.00 O ATOM 1481 CB LEU A 94 -17.605 8.902 11.570 1.00 0.00 C ATOM 1482 CG LEU A 94 -18.253 10.265 11.264 1.00 0.00 C ATOM 1483 CD1 LEU A 94 -19.713 10.293 11.737 1.00 0.00 C ATOM 1484 CD2 LEU A 94 -17.496 11.421 11.933 1.00 0.00 C ATOM 1485 OXT LEU A 94 -15.320 10.217 9.845 1.00 0.00 O ATOM 0 H LEU A 94 -16.230 6.760 11.611 1.00 0.00 H new ATOM 0 HA LEU A 94 -17.284 8.584 9.502 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -18.387 8.172 11.779 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -16.999 8.988 12.472 1.00 0.00 H new ATOM 0 HG LEU A 94 -18.210 10.396 10.183 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -20.150 11.265 11.510 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -20.277 9.513 11.224 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -19.750 10.120 12.813 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -17.986 12.364 11.692 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -17.495 11.278 13.014 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -16.469 11.442 11.569 1.00 0.00 H new TER 1497 LEU A 94 HETATM 1498 CHA HEM A 96 -1.496 12.948 2.639 1.00 0.00 C HETATM 1499 CHB HEM A 96 -0.547 10.175 -1.273 1.00 0.00 C HETATM 1500 CHC HEM A 96 -1.133 6.184 1.524 1.00 0.00 C HETATM 1501 CHD HEM A 96 -2.017 8.993 5.493 1.00 0.00 C HETATM 1502 C1A HEM A 96 -1.225 12.502 1.357 1.00 0.00 C HETATM 1503 C2A HEM A 96 -1.090 13.400 0.241 1.00 0.00 C HETATM 1504 C3A HEM A 96 -0.774 12.638 -0.863 1.00 0.00 C HETATM 1505 C4A HEM A 96 -0.785 11.259 -0.434 1.00 0.00 C HETATM 1506 CMA HEM A 96 -0.435 13.126 -2.251 1.00 0.00 C HETATM 1507 CAA HEM A 96 -1.348 14.889 0.337 1.00 0.00 C HETATM 1508 CBA HEM A 96 -2.778 15.185 0.800 1.00 0.00 C HETATM 1509 CGA HEM A 96 -2.906 15.999 2.079 1.00 0.00 C HETATM 1510 O1A HEM A 96 -3.566 15.483 3.007 1.00 0.00 O HETATM 1511 O2A HEM A 96 -2.351 17.117 2.097 1.00 0.00 O HETATM 1512 C1B HEM A 96 -0.622 8.861 -0.825 1.00 0.00 C HETATM 1513 C2B HEM A 96 -0.399 7.708 -1.665 1.00 0.00 C HETATM 1514 C3B HEM A 96 -0.598 6.614 -0.864 1.00 0.00 C HETATM 1515 C4B HEM A 96 -0.891 7.047 0.471 1.00 0.00 C HETATM 1516 CMB HEM A 96 0.034 7.705 -3.106 1.00 0.00 C HETATM 1517 CAB HEM A 96 -0.525 5.170 -1.298 1.00 0.00 C HETATM 1518 CBB HEM A 96 -1.287 4.718 -2.308 1.00 0.00 C HETATM 1519 C1C HEM A 96 -1.413 6.606 2.818 1.00 0.00 C HETATM 1520 C2C HEM A 96 -1.746 5.713 3.897 1.00 0.00 C HETATM 1521 C3C HEM A 96 -1.984 6.501 4.993 1.00 0.00 C HETATM 1522 C4C HEM A 96 -1.817 7.892 4.638 1.00 0.00 C HETATM 1523 CMC HEM A 96 -1.872 4.212 3.826 1.00 0.00 C HETATM 1524 CAC HEM A 96 -2.573 5.971 6.281 1.00 0.00 C HETATM 1525 CBC HEM A 96 -2.002 4.905 6.890 1.00 0.00 C HETATM 1526 C1D HEM A 96 -1.912 10.335 5.066 1.00 0.00 C HETATM 1527 C2D HEM A 96 -2.003 11.514 5.910 1.00 0.00 C HETATM 1528 C3D HEM A 96 -1.846 12.623 5.095 1.00 0.00 C HETATM 1529 C4D HEM A 96 -1.666 12.130 3.752 1.00 0.00 C HETATM 1530 CMD HEM A 96 -2.168 11.538 7.415 1.00 0.00 C HETATM 1531 CAD HEM A 96 -1.801 14.099 5.476 1.00 0.00 C HETATM 1532 CBD HEM A 96 -1.141 14.435 6.822 1.00 0.00 C HETATM 1533 CGD HEM A 96 -0.694 15.893 6.909 1.00 0.00 C HETATM 1534 O1D HEM A 96 0.114 16.297 6.046 1.00 0.00 O HETATM 1535 O2D HEM A 96 -1.147 16.573 7.855 1.00 0.00 O HETATM 1536 NA HEM A 96 -1.070 11.242 0.905 1.00 0.00 N HETATM 1537 NB HEM A 96 -0.897 8.408 0.450 1.00 0.00 N HETATM 1538 NC HEM A 96 -1.477 7.893 3.302 1.00 0.00 N HETATM 1539 ND HEM A 96 -1.677 10.779 3.792 1.00 0.00 N HETATM 1540 FE HEM A 96 -1.286 9.584 2.104 1.00 0.00 FE HETATM 0 HMA1 HEM A 96 0.276 12.442 -2.714 1.00 0.00 H new HETATM 0 HMA2 HEM A 96 0.006 14.121 -2.189 1.00 0.00 H new HETATM 0 HMA3 HEM A 96 -1.342 13.168 -2.854 1.00 0.00 H new HETATM 0 HMB1 HEM A 96 0.609 6.802 -3.311 1.00 0.00 H new HETATM 0 HMB2 HEM A 96 0.652 8.581 -3.302 1.00 0.00 H new HETATM 0 HMB3 HEM A 96 -0.845 7.729 -3.750 1.00 0.00 H new HETATM 0 HMC1 HEM A 96 -2.199 3.921 2.828 1.00 0.00 H new HETATM 0 HMC2 HEM A 96 -2.603 3.873 4.560 1.00 0.00 H new HETATM 0 HMC3 HEM A 96 -0.905 3.755 4.038 1.00 0.00 H new HETATM 0 HMD1 HEM A 96 -2.721 10.655 7.735 1.00 0.00 H new HETATM 0 HMD2 HEM A 96 -2.716 12.434 7.707 1.00 0.00 H new HETATM 0 HMD3 HEM A 96 -1.186 11.543 7.889 1.00 0.00 H new HETATM 0 HBB1 HEM A 96 -1.225 3.673 -2.612 1.00 0.00 H new HETATM 0 HBB2 HEM A 96 -1.967 5.396 -2.823 1.00 0.00 H new HETATM 0 HBC1 HEM A 96 -2.422 4.518 7.819 1.00 0.00 H new HETATM 0 HBC2 HEM A 96 -1.122 4.434 6.452 1.00 0.00 H new HETATM 0 HBA1 HEM A 96 -3.297 14.237 0.942 1.00 0.00 H new HETATM 0 HBA2 HEM A 96 -3.296 15.716 0.001 1.00 0.00 H new HETATM 0 HAA1 HEM A 96 -1.176 15.352 -0.635 1.00 0.00 H new HETATM 0 HAA2 HEM A 96 -0.639 15.337 1.033 1.00 0.00 H new HETATM 0 HBD1 HEM A 96 -0.279 13.785 6.972 1.00 0.00 H new HETATM 0 HBD2 HEM A 96 -1.843 14.225 7.629 1.00 0.00 H new HETATM 0 HAD1 HEM A 96 -2.822 14.480 5.491 1.00 0.00 H new HETATM 0 HAD2 HEM A 96 -1.271 14.639 4.691 1.00 0.00 H new HETATM 0 HHA HEM A 96 -1.582 14.014 2.787 1.00 0.00 H new HETATM 0 HHB HEM A 96 -0.296 10.360 -2.307 1.00 0.00 H new HETATM 0 HHC HEM A 96 -1.103 5.122 1.330 1.00 0.00 H new HETATM 0 HHD HEM A 96 -2.263 8.801 6.527 1.00 0.00 H new HETATM 0 HAB HEM A 96 0.153 4.487 -0.787 1.00 0.00 H new HETATM 0 HAC HEM A 96 -3.453 6.445 6.717 1.00 0.00 H new