USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 732 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 18 SER OG : rot 180:sc= 0.0401 USER MOD Set 1.2: A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ -121:sc= 0.0496 (180deg=-0.0973) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 23:sc= -0.609 USER MOD Single : A 8 THR OG1 : rot 124:sc= -2.73 USER MOD Single : A 13 GLN : amide:sc= -0.051 K(o=-0.051,f=-1.2) USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 0.97 (180deg=0.636) USER MOD Single : A 15 HIS : no HD1:sc= -5.39! C(o=-5.4!,f=-7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc=-0.00115 USER MOD Single : A 26 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-0.39) USER MOD Single : A 27 HIS : no HE2:sc= -3.19 K(o=-3.2,f=-6.1!) USER MOD Single : A 28 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.32) USER MOD Single : A 30 TYR OH : rot 80:sc= -0.355 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HE2:sc= 1.08 K(o=1.1,f=-4.2!) USER MOD Single : A 49 GLN : amide:sc= -0.942 X(o=-0.94,f=-1.1) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 57 ASN : amide:sc= -1.64 K(o=-1.6,f=-4.1!) USER MOD Single : A 63 HIS : no HD1:sc= -2.09 K(o=-2.1,f=-0.74) USER MOD Single : A 64 SER OG : rot 180:sc= 0.21 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 100:sc= 0.0668 USER MOD Single : A 72 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.141) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-5.3!) USER MOD Single : A 85 SER OG : rot 180:sc= 0.29 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 89:sc= 1.23 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0815 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -10.473 -2.325 17.510 1.00 0.00 N ATOM 2 CA ASP A 1 -9.425 -1.410 16.974 1.00 0.00 C ATOM 3 C ASP A 1 -8.174 -2.206 16.591 1.00 0.00 C ATOM 4 O ASP A 1 -7.936 -3.285 17.099 1.00 0.00 O ATOM 5 CB ASP A 1 -9.117 -0.445 18.119 1.00 0.00 C ATOM 6 CG ASP A 1 -10.300 0.504 18.318 1.00 0.00 C ATOM 7 OD1 ASP A 1 -10.352 1.508 17.627 1.00 0.00 O ATOM 8 OD2 ASP A 1 -11.134 0.212 19.159 1.00 0.00 O ATOM 0 H1 ASP A 1 -11.331 -2.250 16.927 1.00 0.00 H new ATOM 0 H2 ASP A 1 -10.123 -3.304 17.488 1.00 0.00 H new ATOM 0 H3 ASP A 1 -10.697 -2.060 18.490 1.00 0.00 H new ATOM 0 HA ASP A 1 -9.755 -0.885 16.077 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -8.925 -1.002 19.036 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -8.214 0.124 17.897 1.00 0.00 H new ATOM 13 N LYS A 2 -7.356 -1.660 15.727 1.00 0.00 N ATOM 14 CA LYS A 2 -6.093 -2.358 15.337 1.00 0.00 C ATOM 15 C LYS A 2 -5.171 -1.400 14.573 1.00 0.00 C ATOM 16 O LYS A 2 -5.376 -0.201 14.570 1.00 0.00 O ATOM 17 CB LYS A 2 -6.536 -3.521 14.441 1.00 0.00 C ATOM 18 CG LYS A 2 -7.293 -2.990 13.217 1.00 0.00 C ATOM 19 CD LYS A 2 -8.406 -3.969 12.839 1.00 0.00 C ATOM 20 CE LYS A 2 -7.850 -5.031 11.887 1.00 0.00 C ATOM 21 NZ LYS A 2 -8.673 -6.245 12.145 1.00 0.00 N ATOM 0 H LYS A 2 -7.509 -0.759 15.274 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.532 -2.709 16.203 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.666 -4.093 14.119 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.174 -4.201 15.005 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.716 -2.009 13.435 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.607 -2.862 12.380 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.808 -4.443 13.735 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.229 -3.435 12.364 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.932 -4.712 10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.794 -5.221 12.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.352 -7.019 11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.570 -6.529 13.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.672 -6.036 11.946 1.00 0.00 H new ATOM 35 N ASP A 3 -4.183 -1.929 13.897 1.00 0.00 N ATOM 36 CA ASP A 3 -3.268 -1.063 13.094 1.00 0.00 C ATOM 37 C ASP A 3 -3.760 -0.971 11.647 1.00 0.00 C ATOM 38 O ASP A 3 -2.984 -1.058 10.714 1.00 0.00 O ATOM 39 CB ASP A 3 -1.908 -1.758 13.155 1.00 0.00 C ATOM 40 CG ASP A 3 -1.138 -1.269 14.383 1.00 0.00 C ATOM 41 OD1 ASP A 3 -1.442 -1.729 15.471 1.00 0.00 O ATOM 42 OD2 ASP A 3 -0.259 -0.441 14.214 1.00 0.00 O ATOM 0 H ASP A 3 -3.970 -2.926 13.867 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.222 -0.044 13.479 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.042 -2.839 13.204 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.340 -1.548 12.249 1.00 0.00 H new ATOM 47 N VAL A 4 -5.038 -0.759 11.459 1.00 0.00 N ATOM 48 CA VAL A 4 -5.583 -0.615 10.075 1.00 0.00 C ATOM 49 C VAL A 4 -6.807 0.310 10.086 1.00 0.00 C ATOM 50 O VAL A 4 -7.796 0.041 10.741 1.00 0.00 O ATOM 51 CB VAL A 4 -5.968 -2.041 9.655 1.00 0.00 C ATOM 52 CG1 VAL A 4 -6.673 -2.022 8.295 1.00 0.00 C ATOM 53 CG2 VAL A 4 -4.701 -2.892 9.545 1.00 0.00 C ATOM 0 H VAL A 4 -5.728 -0.679 12.206 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.866 -0.173 9.383 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.642 -2.460 10.402 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.940 -3.039 8.009 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.576 -1.415 8.362 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.005 -1.598 7.545 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.968 -3.906 9.247 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.035 -2.458 8.799 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.196 -2.919 10.510 1.00 0.00 H new ATOM 63 N LYS A 5 -6.766 1.360 9.304 1.00 0.00 N ATOM 64 CA LYS A 5 -7.946 2.266 9.194 1.00 0.00 C ATOM 65 C LYS A 5 -8.492 2.237 7.764 1.00 0.00 C ATOM 66 O LYS A 5 -7.771 1.963 6.824 1.00 0.00 O ATOM 67 CB LYS A 5 -7.413 3.657 9.538 1.00 0.00 C ATOM 68 CG LYS A 5 -8.565 4.542 10.020 1.00 0.00 C ATOM 69 CD LYS A 5 -8.236 6.009 9.734 1.00 0.00 C ATOM 70 CE LYS A 5 -8.831 6.889 10.835 1.00 0.00 C ATOM 71 NZ LYS A 5 -10.246 7.112 10.427 1.00 0.00 N ATOM 0 H LYS A 5 -5.962 1.628 8.736 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.761 1.971 9.855 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.649 3.584 10.312 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.940 4.103 8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.489 4.261 9.516 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.727 4.396 11.088 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.156 6.148 9.686 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.638 6.300 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.773 6.399 11.807 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.292 7.832 10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.721 7.708 11.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.270 7.586 9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.736 6.197 10.360 1.00 0.00 H new ATOM 85 N TYR A 6 -9.754 2.541 7.593 1.00 0.00 N ATOM 86 CA TYR A 6 -10.345 2.558 6.222 1.00 0.00 C ATOM 87 C TYR A 6 -10.073 3.902 5.539 1.00 0.00 C ATOM 88 O TYR A 6 -10.846 4.832 5.656 1.00 0.00 O ATOM 89 CB TYR A 6 -11.845 2.355 6.434 1.00 0.00 C ATOM 90 CG TYR A 6 -12.147 0.877 6.492 1.00 0.00 C ATOM 91 CD1 TYR A 6 -11.524 0.073 7.453 1.00 0.00 C ATOM 92 CD2 TYR A 6 -13.051 0.311 5.585 1.00 0.00 C ATOM 93 CE1 TYR A 6 -11.802 -1.298 7.506 1.00 0.00 C ATOM 94 CE2 TYR A 6 -13.330 -1.059 5.639 1.00 0.00 C ATOM 95 CZ TYR A 6 -12.706 -1.864 6.600 1.00 0.00 C ATOM 96 OH TYR A 6 -12.981 -3.215 6.652 1.00 0.00 O ATOM 0 H TYR A 6 -10.401 2.778 8.345 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.917 1.788 5.580 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.162 2.839 7.358 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.405 2.820 5.623 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -10.828 0.510 8.154 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.533 0.932 4.844 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -11.319 -1.919 8.246 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.027 -1.496 4.939 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.630 -3.444 5.954 1.00 0.00 H new ATOM 106 N TYR A 7 -9.006 3.985 4.785 1.00 0.00 N ATOM 107 CA TYR A 7 -8.708 5.245 4.037 1.00 0.00 C ATOM 108 C TYR A 7 -9.723 5.432 2.905 1.00 0.00 C ATOM 109 O TYR A 7 -10.703 4.716 2.818 1.00 0.00 O ATOM 110 CB TYR A 7 -7.299 5.055 3.470 1.00 0.00 C ATOM 111 CG TYR A 7 -6.277 5.375 4.535 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.234 4.624 5.715 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.371 6.425 4.340 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.286 4.923 6.701 1.00 0.00 C ATOM 115 CE2 TYR A 7 -4.423 6.723 5.326 1.00 0.00 C ATOM 116 CZ TYR A 7 -4.381 5.973 6.506 1.00 0.00 C ATOM 117 OH TYR A 7 -3.446 6.266 7.478 1.00 0.00 O ATOM 0 H TYR A 7 -8.328 3.234 4.655 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.769 6.128 4.674 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.170 4.029 3.125 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.153 5.703 2.606 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.932 3.814 5.865 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.404 7.005 3.429 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.253 4.344 7.612 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -3.724 7.532 5.176 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.295 5.475 8.036 1.00 0.00 H new ATOM 127 N THR A 8 -9.474 6.363 2.019 1.00 0.00 N ATOM 128 CA THR A 8 -10.399 6.569 0.864 1.00 0.00 C ATOM 129 C THR A 8 -9.624 6.514 -0.455 1.00 0.00 C ATOM 130 O THR A 8 -8.448 6.821 -0.507 1.00 0.00 O ATOM 131 CB THR A 8 -10.999 7.960 1.077 1.00 0.00 C ATOM 132 OG1 THR A 8 -9.955 8.922 1.127 1.00 0.00 O ATOM 133 CG2 THR A 8 -11.783 7.985 2.391 1.00 0.00 C ATOM 0 H THR A 8 -8.670 6.990 2.046 1.00 0.00 H new ATOM 0 HA THR A 8 -11.168 5.798 0.811 1.00 0.00 H new ATOM 0 HB THR A 8 -11.671 8.196 0.252 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.113 9.612 0.449 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.210 8.977 2.541 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.584 7.247 2.351 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.114 7.749 3.218 1.00 0.00 H new ATOM 141 N LEU A 9 -10.289 6.159 -1.524 1.00 0.00 N ATOM 142 CA LEU A 9 -9.611 6.119 -2.857 1.00 0.00 C ATOM 143 C LEU A 9 -9.239 7.536 -3.308 1.00 0.00 C ATOM 144 O LEU A 9 -8.286 7.733 -4.038 1.00 0.00 O ATOM 145 CB LEU A 9 -10.640 5.504 -3.812 1.00 0.00 C ATOM 146 CG LEU A 9 -9.946 4.519 -4.755 1.00 0.00 C ATOM 147 CD1 LEU A 9 -9.514 3.273 -3.973 1.00 0.00 C ATOM 148 CD2 LEU A 9 -10.914 4.114 -5.871 1.00 0.00 C ATOM 0 H LEU A 9 -11.274 5.894 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.686 5.542 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.417 4.992 -3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.131 6.289 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.066 4.993 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.020 2.573 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.824 3.562 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.391 2.797 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.421 3.412 -6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.794 3.641 -5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.217 5.000 -6.429 1.00 0.00 H new ATOM 160 N GLU A 10 -9.973 8.524 -2.858 1.00 0.00 N ATOM 161 CA GLU A 10 -9.650 9.935 -3.236 1.00 0.00 C ATOM 162 C GLU A 10 -8.403 10.420 -2.490 1.00 0.00 C ATOM 163 O GLU A 10 -7.680 11.273 -2.967 1.00 0.00 O ATOM 164 CB GLU A 10 -10.875 10.752 -2.817 1.00 0.00 C ATOM 165 CG GLU A 10 -11.909 10.736 -3.945 1.00 0.00 C ATOM 166 CD GLU A 10 -13.211 11.370 -3.452 1.00 0.00 C ATOM 167 OE1 GLU A 10 -13.967 10.681 -2.786 1.00 0.00 O ATOM 168 OE2 GLU A 10 -13.431 12.532 -3.748 1.00 0.00 O ATOM 0 H GLU A 10 -10.781 8.414 -2.246 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.438 10.033 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.308 10.337 -1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.582 11.778 -2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.530 11.283 -4.808 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.091 9.712 -4.271 1.00 0.00 H new ATOM 175 N GLU A 11 -8.135 9.864 -1.335 1.00 0.00 N ATOM 176 CA GLU A 11 -6.918 10.269 -0.566 1.00 0.00 C ATOM 177 C GLU A 11 -5.681 9.540 -1.098 1.00 0.00 C ATOM 178 O GLU A 11 -4.575 10.037 -1.012 1.00 0.00 O ATOM 179 CB GLU A 11 -7.205 9.852 0.877 1.00 0.00 C ATOM 180 CG GLU A 11 -8.073 10.913 1.555 1.00 0.00 C ATOM 181 CD GLU A 11 -7.178 11.909 2.294 1.00 0.00 C ATOM 182 OE1 GLU A 11 -6.192 11.477 2.868 1.00 0.00 O ATOM 183 OE2 GLU A 11 -7.494 13.087 2.275 1.00 0.00 O ATOM 0 H GLU A 11 -8.707 9.146 -0.891 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.715 11.337 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.713 8.888 0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.270 9.729 1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.677 11.433 0.812 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.764 10.441 2.254 1.00 0.00 H new ATOM 190 N ILE A 12 -5.866 8.371 -1.657 1.00 0.00 N ATOM 191 CA ILE A 12 -4.706 7.609 -2.213 1.00 0.00 C ATOM 192 C ILE A 12 -4.459 8.005 -3.675 1.00 0.00 C ATOM 193 O ILE A 12 -3.350 7.915 -4.167 1.00 0.00 O ATOM 194 CB ILE A 12 -5.114 6.133 -2.108 1.00 0.00 C ATOM 195 CG1 ILE A 12 -5.365 5.773 -0.636 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.996 5.246 -2.663 1.00 0.00 C ATOM 197 CD1 ILE A 12 -6.562 4.826 -0.538 1.00 0.00 C ATOM 0 H ILE A 12 -6.771 7.911 -1.753 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.780 7.813 -1.675 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.025 5.971 -2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.479 5.302 -0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.555 6.677 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.290 4.199 -2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.817 5.497 -3.709 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.083 5.409 -2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.740 4.571 0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.446 5.314 -0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.354 3.917 -1.103 1.00 0.00 H new ATOM 209 N GLN A 13 -5.475 8.467 -4.359 1.00 0.00 N ATOM 210 CA GLN A 13 -5.294 8.899 -5.779 1.00 0.00 C ATOM 211 C GLN A 13 -4.930 10.387 -5.840 1.00 0.00 C ATOM 212 O GLN A 13 -5.482 11.134 -6.626 1.00 0.00 O ATOM 213 CB GLN A 13 -6.648 8.651 -6.446 1.00 0.00 C ATOM 214 CG GLN A 13 -6.986 7.158 -6.384 1.00 0.00 C ATOM 215 CD GLN A 13 -6.561 6.478 -7.687 1.00 0.00 C ATOM 216 OE1 GLN A 13 -5.698 6.967 -8.389 1.00 0.00 O ATOM 217 NE2 GLN A 13 -7.135 5.361 -8.041 1.00 0.00 N ATOM 0 H GLN A 13 -6.423 8.564 -3.995 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.490 8.355 -6.275 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.423 9.231 -5.945 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.620 8.985 -7.483 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.477 6.695 -5.538 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.056 7.024 -6.225 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.859 4.951 -7.452 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.859 4.898 -8.907 1.00 0.00 H new ATOM 226 N LYS A 14 -3.976 10.810 -5.048 1.00 0.00 N ATOM 227 CA LYS A 14 -3.535 12.239 -5.091 1.00 0.00 C ATOM 228 C LYS A 14 -2.250 12.424 -4.276 1.00 0.00 C ATOM 229 O LYS A 14 -2.163 13.300 -3.435 1.00 0.00 O ATOM 230 CB LYS A 14 -4.691 13.038 -4.474 1.00 0.00 C ATOM 231 CG LYS A 14 -4.961 12.553 -3.046 1.00 0.00 C ATOM 232 CD LYS A 14 -5.844 13.569 -2.319 1.00 0.00 C ATOM 233 CE LYS A 14 -5.509 13.561 -0.826 1.00 0.00 C ATOM 234 NZ LYS A 14 -6.774 13.956 -0.147 1.00 0.00 N ATOM 0 H LYS A 14 -3.483 10.226 -4.372 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.314 12.570 -6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.446 14.100 -4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.589 12.923 -5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.451 11.580 -3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.020 12.424 -2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.686 14.565 -2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.896 13.325 -2.468 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.177 12.575 -0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.704 14.259 -0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.672 13.827 0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.981 14.955 -0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.554 13.363 -0.494 1.00 0.00 H new ATOM 248 N HIS A 15 -1.247 11.629 -4.544 1.00 0.00 N ATOM 249 CA HIS A 15 0.049 11.777 -3.814 1.00 0.00 C ATOM 250 C HIS A 15 1.191 12.018 -4.804 1.00 0.00 C ATOM 251 O HIS A 15 1.695 11.098 -5.420 1.00 0.00 O ATOM 252 CB HIS A 15 0.245 10.451 -3.081 1.00 0.00 C ATOM 253 CG HIS A 15 -0.465 10.503 -1.756 1.00 0.00 C ATOM 254 ND1 HIS A 15 0.117 11.057 -0.627 1.00 0.00 N ATOM 255 CD2 HIS A 15 -1.710 10.076 -1.364 1.00 0.00 C ATOM 256 CE1 HIS A 15 -0.769 10.950 0.381 1.00 0.00 C ATOM 257 NE2 HIS A 15 -1.900 10.359 -0.014 1.00 0.00 N ATOM 0 H HIS A 15 -1.269 10.882 -5.238 1.00 0.00 H new ATOM 0 HA HIS A 15 0.041 12.624 -3.128 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.144 9.629 -3.682 1.00 0.00 H new ATOM 0 HB3 HIS A 15 1.307 10.260 -2.930 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.432 9.594 -2.006 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.587 11.299 1.387 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.725 10.158 0.551 1.00 0.00 H new ATOM 266 N LYS A 16 1.631 13.246 -4.926 1.00 0.00 N ATOM 267 CA LYS A 16 2.777 13.552 -5.836 1.00 0.00 C ATOM 268 C LYS A 16 3.275 14.981 -5.597 1.00 0.00 C ATOM 269 O LYS A 16 3.401 15.765 -6.520 1.00 0.00 O ATOM 270 CB LYS A 16 2.217 13.402 -7.257 1.00 0.00 C ATOM 271 CG LYS A 16 1.030 14.350 -7.460 1.00 0.00 C ATOM 272 CD LYS A 16 0.753 14.510 -8.955 1.00 0.00 C ATOM 273 CE LYS A 16 1.708 15.549 -9.544 1.00 0.00 C ATOM 274 NZ LYS A 16 1.185 15.821 -10.913 1.00 0.00 N ATOM 0 H LYS A 16 1.245 14.051 -4.433 1.00 0.00 H new ATOM 0 HA LYS A 16 3.625 12.889 -5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.996 13.621 -7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.902 12.372 -7.425 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.147 13.957 -6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.246 15.321 -7.014 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.881 13.554 -9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.280 14.820 -9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.725 16.456 -8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.730 15.171 -9.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.789 16.526 -11.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.187 14.941 -11.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.214 16.186 -10.847 1.00 0.00 H new ATOM 288 N ASP A 17 3.590 15.311 -4.370 1.00 0.00 N ATOM 289 CA ASP A 17 4.116 16.676 -4.067 1.00 0.00 C ATOM 290 C ASP A 17 5.301 16.587 -3.100 1.00 0.00 C ATOM 291 O ASP A 17 6.320 17.224 -3.296 1.00 0.00 O ATOM 292 CB ASP A 17 2.947 17.415 -3.415 1.00 0.00 C ATOM 293 CG ASP A 17 3.347 18.867 -3.145 1.00 0.00 C ATOM 294 OD1 ASP A 17 3.996 19.104 -2.140 1.00 0.00 O ATOM 295 OD2 ASP A 17 2.998 19.716 -3.948 1.00 0.00 O ATOM 0 H ASP A 17 3.505 14.692 -3.564 1.00 0.00 H new ATOM 0 HA ASP A 17 4.475 17.187 -4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.074 17.382 -4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.668 16.924 -2.483 1.00 0.00 H new ATOM 300 N SER A 18 5.183 15.780 -2.076 1.00 0.00 N ATOM 301 CA SER A 18 6.311 15.618 -1.110 1.00 0.00 C ATOM 302 C SER A 18 7.137 14.375 -1.459 1.00 0.00 C ATOM 303 O SER A 18 7.735 13.757 -0.601 1.00 0.00 O ATOM 304 CB SER A 18 5.643 15.450 0.253 1.00 0.00 C ATOM 305 OG SER A 18 4.636 14.450 0.163 1.00 0.00 O ATOM 0 H SER A 18 4.353 15.226 -1.867 1.00 0.00 H new ATOM 0 HA SER A 18 6.994 16.467 -1.129 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.384 15.170 1.002 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.206 16.395 0.575 1.00 0.00 H new ATOM 0 HG SER A 18 4.207 14.339 1.037 1.00 0.00 H new ATOM 311 N LYS A 19 7.207 14.031 -2.725 1.00 0.00 N ATOM 312 CA LYS A 19 8.034 12.855 -3.160 1.00 0.00 C ATOM 313 C LYS A 19 7.646 11.589 -2.384 1.00 0.00 C ATOM 314 O LYS A 19 8.406 10.641 -2.313 1.00 0.00 O ATOM 315 CB LYS A 19 9.480 13.240 -2.848 1.00 0.00 C ATOM 316 CG LYS A 19 10.427 12.174 -3.402 1.00 0.00 C ATOM 317 CD LYS A 19 11.746 12.828 -3.817 1.00 0.00 C ATOM 318 CE LYS A 19 12.618 13.051 -2.580 1.00 0.00 C ATOM 319 NZ LYS A 19 13.311 14.346 -2.828 1.00 0.00 N ATOM 0 H LYS A 19 6.724 14.517 -3.481 1.00 0.00 H new ATOM 0 HA LYS A 19 7.883 12.633 -4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.711 14.210 -3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.616 13.338 -1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.610 11.408 -2.648 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.971 11.676 -4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.268 12.194 -4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.552 13.778 -4.314 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.014 13.093 -1.673 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.333 12.239 -2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.929 14.569 -2.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.883 14.273 -3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.605 15.101 -2.942 1.00 0.00 H new ATOM 333 N SER A 20 6.456 11.552 -1.841 1.00 0.00 N ATOM 334 CA SER A 20 5.997 10.330 -1.113 1.00 0.00 C ATOM 335 C SER A 20 5.303 9.370 -2.082 1.00 0.00 C ATOM 336 O SER A 20 4.999 9.724 -3.205 1.00 0.00 O ATOM 337 CB SER A 20 5.010 10.842 -0.065 1.00 0.00 C ATOM 338 OG SER A 20 3.826 11.288 -0.714 1.00 0.00 O ATOM 0 H SER A 20 5.781 12.316 -1.870 1.00 0.00 H new ATOM 0 HA SER A 20 6.823 9.782 -0.660 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.773 10.050 0.646 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.456 11.658 0.504 1.00 0.00 H new ATOM 0 HG SER A 20 3.190 11.616 -0.045 1.00 0.00 H new ATOM 344 N THR A 21 5.015 8.171 -1.640 1.00 0.00 N ATOM 345 CA THR A 21 4.298 7.197 -2.517 1.00 0.00 C ATOM 346 C THR A 21 3.336 6.339 -1.688 1.00 0.00 C ATOM 347 O THR A 21 3.751 5.568 -0.842 1.00 0.00 O ATOM 348 CB THR A 21 5.399 6.333 -3.145 1.00 0.00 C ATOM 349 OG1 THR A 21 4.804 5.360 -3.992 1.00 0.00 O ATOM 350 CG2 THR A 21 6.209 5.630 -2.051 1.00 0.00 C ATOM 0 H THR A 21 5.246 7.825 -0.709 1.00 0.00 H new ATOM 0 HA THR A 21 3.695 7.695 -3.277 1.00 0.00 H new ATOM 0 HB THR A 21 6.067 6.971 -3.724 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.504 4.807 -4.397 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.987 5.020 -2.510 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.668 6.376 -1.402 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.549 4.993 -1.462 1.00 0.00 H new ATOM 358 N TRP A 22 2.061 6.426 -1.969 1.00 0.00 N ATOM 359 CA TRP A 22 1.069 5.573 -1.251 1.00 0.00 C ATOM 360 C TRP A 22 0.833 4.275 -2.026 1.00 0.00 C ATOM 361 O TRP A 22 -0.158 4.126 -2.717 1.00 0.00 O ATOM 362 CB TRP A 22 -0.213 6.413 -1.194 1.00 0.00 C ATOM 363 CG TRP A 22 -0.243 7.240 0.060 1.00 0.00 C ATOM 364 CD1 TRP A 22 0.836 7.800 0.665 1.00 0.00 C ATOM 365 CD2 TRP A 22 -1.397 7.617 0.867 1.00 0.00 C ATOM 366 NE1 TRP A 22 0.415 8.486 1.789 1.00 0.00 N ATOM 367 CE2 TRP A 22 -0.952 8.404 1.955 1.00 0.00 C ATOM 368 CE3 TRP A 22 -2.774 7.351 0.761 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -1.843 8.910 2.904 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -3.672 7.860 1.714 1.00 0.00 C ATOM 371 CH2 TRP A 22 -3.208 8.637 2.783 1.00 0.00 C ATOM 0 H TRP A 22 1.664 7.054 -2.668 1.00 0.00 H new ATOM 0 HA TRP A 22 1.410 5.289 -0.255 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -0.268 7.063 -2.067 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.085 5.760 -1.227 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.858 7.722 0.323 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.039 8.991 2.419 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.143 6.752 -0.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.479 9.508 3.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.727 7.651 1.622 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.904 9.024 3.512 1.00 0.00 H new ATOM 382 N VAL A 23 1.709 3.315 -1.868 1.00 0.00 N ATOM 383 CA VAL A 23 1.514 1.995 -2.540 1.00 0.00 C ATOM 384 C VAL A 23 0.508 1.160 -1.742 1.00 0.00 C ATOM 385 O VAL A 23 0.163 1.498 -0.626 1.00 0.00 O ATOM 386 CB VAL A 23 2.903 1.343 -2.532 1.00 0.00 C ATOM 387 CG1 VAL A 23 2.831 -0.063 -3.132 1.00 0.00 C ATOM 388 CG2 VAL A 23 3.863 2.196 -3.365 1.00 0.00 C ATOM 0 H VAL A 23 2.553 3.389 -1.301 1.00 0.00 H new ATOM 0 HA VAL A 23 1.121 2.085 -3.553 1.00 0.00 H new ATOM 0 HB VAL A 23 3.258 1.274 -1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.823 -0.515 -3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.147 -0.675 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.472 -0.002 -4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.852 1.738 -3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.496 2.262 -4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.926 3.196 -2.937 1.00 0.00 H new ATOM 398 N ILE A 24 0.043 0.069 -2.299 1.00 0.00 N ATOM 399 CA ILE A 24 -0.929 -0.791 -1.560 1.00 0.00 C ATOM 400 C ILE A 24 -0.570 -2.271 -1.723 1.00 0.00 C ATOM 401 O ILE A 24 -0.346 -2.748 -2.819 1.00 0.00 O ATOM 402 CB ILE A 24 -2.294 -0.495 -2.192 1.00 0.00 C ATOM 403 CG1 ILE A 24 -2.612 0.999 -2.059 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.378 -1.305 -1.476 1.00 0.00 C ATOM 405 CD1 ILE A 24 -2.189 1.726 -3.337 1.00 0.00 C ATOM 0 H ILE A 24 0.294 -0.262 -3.231 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.924 -0.583 -0.490 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.267 -0.770 -3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.678 1.141 -1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.089 1.418 -1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.348 -1.093 -1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.159 -2.369 -1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.400 -1.031 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.415 2.788 -3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.118 1.595 -3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.732 1.313 -4.187 1.00 0.00 H new ATOM 417 N LEU A 25 -0.626 -3.014 -0.649 1.00 0.00 N ATOM 418 CA LEU A 25 -0.415 -4.489 -0.734 1.00 0.00 C ATOM 419 C LEU A 25 -1.740 -5.200 -0.457 1.00 0.00 C ATOM 420 O LEU A 25 -1.978 -5.684 0.633 1.00 0.00 O ATOM 421 CB LEU A 25 0.607 -4.813 0.363 1.00 0.00 C ATOM 422 CG LEU A 25 2.040 -4.586 -0.145 1.00 0.00 C ATOM 423 CD1 LEU A 25 2.328 -5.521 -1.319 1.00 0.00 C ATOM 424 CD2 LEU A 25 2.212 -3.130 -0.595 1.00 0.00 C ATOM 0 H LEU A 25 -0.810 -2.660 0.290 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.064 -4.810 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.422 -4.187 1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.489 -5.848 0.683 1.00 0.00 H new ATOM 0 HG LEU A 25 2.739 -4.796 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.345 -5.356 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.221 -6.556 -0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.624 -5.319 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.230 -2.978 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.508 -2.912 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.020 -2.464 0.246 1.00 0.00 H new ATOM 436 N HIS A 26 -2.622 -5.229 -1.428 1.00 0.00 N ATOM 437 CA HIS A 26 -3.966 -5.865 -1.228 1.00 0.00 C ATOM 438 C HIS A 26 -4.678 -5.227 -0.027 1.00 0.00 C ATOM 439 O HIS A 26 -4.420 -5.568 1.110 1.00 0.00 O ATOM 440 CB HIS A 26 -3.698 -7.356 -0.972 1.00 0.00 C ATOM 441 CG HIS A 26 -2.956 -7.945 -2.141 1.00 0.00 C ATOM 442 ND1 HIS A 26 -3.455 -9.012 -2.873 1.00 0.00 N ATOM 443 CD2 HIS A 26 -1.751 -7.626 -2.717 1.00 0.00 C ATOM 444 CE1 HIS A 26 -2.562 -9.294 -3.839 1.00 0.00 C ATOM 445 NE2 HIS A 26 -1.505 -8.480 -3.789 1.00 0.00 N ATOM 0 H HIS A 26 -2.468 -4.837 -2.357 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.611 -5.726 -2.096 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.115 -7.479 -0.059 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.640 -7.884 -0.823 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.094 -6.834 -2.389 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.685 -10.083 -4.566 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.691 -8.483 -4.404 1.00 0.00 H new ATOM 453 N HIS A 27 -5.590 -4.315 -0.284 1.00 0.00 N ATOM 454 CA HIS A 27 -6.365 -3.638 0.818 1.00 0.00 C ATOM 455 C HIS A 27 -5.450 -2.734 1.657 1.00 0.00 C ATOM 456 O HIS A 27 -5.636 -1.533 1.706 1.00 0.00 O ATOM 457 CB HIS A 27 -6.968 -4.755 1.687 1.00 0.00 C ATOM 458 CG HIS A 27 -8.210 -4.252 2.375 1.00 0.00 C ATOM 459 ND1 HIS A 27 -8.964 -5.057 3.213 1.00 0.00 N ATOM 460 CD2 HIS A 27 -8.843 -3.032 2.359 1.00 0.00 C ATOM 461 CE1 HIS A 27 -9.997 -4.321 3.666 1.00 0.00 C ATOM 462 NE2 HIS A 27 -9.970 -3.079 3.175 1.00 0.00 N ATOM 0 H HIS A 27 -5.836 -4.005 -1.224 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.146 -3.000 0.404 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.209 -5.620 1.068 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.240 -5.086 2.427 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -8.772 -6.031 3.445 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.516 -2.169 1.799 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.754 -4.689 4.343 1.00 0.00 H new ATOM 470 N LYS A 28 -4.467 -3.298 2.313 1.00 0.00 N ATOM 471 CA LYS A 28 -3.536 -2.468 3.147 1.00 0.00 C ATOM 472 C LYS A 28 -2.870 -1.377 2.301 1.00 0.00 C ATOM 473 O LYS A 28 -2.391 -1.632 1.212 1.00 0.00 O ATOM 474 CB LYS A 28 -2.485 -3.450 3.672 1.00 0.00 C ATOM 475 CG LYS A 28 -3.124 -4.376 4.709 1.00 0.00 C ATOM 476 CD LYS A 28 -2.085 -4.746 5.770 1.00 0.00 C ATOM 477 CE LYS A 28 -2.663 -5.818 6.698 1.00 0.00 C ATOM 478 NZ LYS A 28 -2.550 -7.090 5.932 1.00 0.00 N ATOM 0 H LYS A 28 -4.267 -4.298 2.309 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.064 -1.959 3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.076 -4.036 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.654 -2.905 4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.977 -3.883 5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.502 -5.276 4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.177 -5.114 5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.807 -3.863 6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.108 -5.870 7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.700 -5.602 6.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.469 -7.576 5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.265 -6.882 4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.837 -7.701 6.378 1.00 0.00 H new ATOM 492 N VAL A 29 -2.782 -0.178 2.824 1.00 0.00 N ATOM 493 CA VAL A 29 -2.085 0.921 2.089 1.00 0.00 C ATOM 494 C VAL A 29 -0.726 1.197 2.735 1.00 0.00 C ATOM 495 O VAL A 29 -0.538 0.981 3.917 1.00 0.00 O ATOM 496 CB VAL A 29 -3.008 2.138 2.212 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.386 3.337 1.493 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.365 1.818 1.576 1.00 0.00 C ATOM 0 H VAL A 29 -3.165 0.087 3.732 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.896 0.670 1.045 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.143 2.378 3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.047 4.199 1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.421 3.571 1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.246 3.097 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.021 2.684 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.225 1.574 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.816 0.968 2.088 1.00 0.00 H new ATOM 508 N TYR A 30 0.238 1.603 1.950 1.00 0.00 N ATOM 509 CA TYR A 30 1.612 1.812 2.493 1.00 0.00 C ATOM 510 C TYR A 30 2.078 3.255 2.295 1.00 0.00 C ATOM 511 O TYR A 30 2.068 3.771 1.192 1.00 0.00 O ATOM 512 CB TYR A 30 2.497 0.876 1.672 1.00 0.00 C ATOM 513 CG TYR A 30 2.476 -0.501 2.280 1.00 0.00 C ATOM 514 CD1 TYR A 30 1.289 -1.239 2.291 1.00 0.00 C ATOM 515 CD2 TYR A 30 3.641 -1.038 2.831 1.00 0.00 C ATOM 516 CE1 TYR A 30 1.267 -2.516 2.856 1.00 0.00 C ATOM 517 CE2 TYR A 30 3.621 -2.316 3.397 1.00 0.00 C ATOM 518 CZ TYR A 30 2.432 -3.057 3.411 1.00 0.00 C ATOM 519 OH TYR A 30 2.411 -4.319 3.969 1.00 0.00 O ATOM 0 H TYR A 30 0.132 1.799 0.955 1.00 0.00 H new ATOM 0 HA TYR A 30 1.650 1.614 3.564 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.143 0.835 0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.518 1.256 1.643 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.389 -0.822 1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.557 -0.466 2.820 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.350 -3.086 2.865 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.522 -2.732 3.823 1.00 0.00 H new ATOM 0 HH TYR A 30 2.466 -4.992 3.259 1.00 0.00 H new ATOM 529 N ASP A 31 2.687 3.819 3.306 1.00 0.00 N ATOM 530 CA ASP A 31 3.392 5.121 3.129 1.00 0.00 C ATOM 531 C ASP A 31 4.898 4.854 3.139 1.00 0.00 C ATOM 532 O ASP A 31 5.510 4.749 4.185 1.00 0.00 O ATOM 533 CB ASP A 31 2.974 5.978 4.326 1.00 0.00 C ATOM 534 CG ASP A 31 3.682 7.335 4.264 1.00 0.00 C ATOM 535 OD1 ASP A 31 3.571 7.992 3.242 1.00 0.00 O ATOM 536 OD2 ASP A 31 4.321 7.692 5.240 1.00 0.00 O ATOM 0 H ASP A 31 2.726 3.432 4.249 1.00 0.00 H new ATOM 0 HA ASP A 31 3.146 5.624 2.194 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.893 6.121 4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.226 5.468 5.256 1.00 0.00 H new ATOM 541 N LEU A 32 5.469 4.623 1.984 1.00 0.00 N ATOM 542 CA LEU A 32 6.907 4.218 1.922 1.00 0.00 C ATOM 543 C LEU A 32 7.835 5.442 1.887 1.00 0.00 C ATOM 544 O LEU A 32 9.023 5.308 1.658 1.00 0.00 O ATOM 545 CB LEU A 32 7.040 3.409 0.625 1.00 0.00 C ATOM 546 CG LEU A 32 6.070 2.218 0.636 1.00 0.00 C ATOM 547 CD1 LEU A 32 5.672 1.879 -0.802 1.00 0.00 C ATOM 548 CD2 LEU A 32 6.746 1.001 1.280 1.00 0.00 C ATOM 0 H LEU A 32 5.002 4.697 1.080 1.00 0.00 H new ATOM 0 HA LEU A 32 7.196 3.643 2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.832 4.048 -0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.064 3.052 0.515 1.00 0.00 H new ATOM 0 HG LEU A 32 5.183 2.480 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.983 1.034 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.186 2.742 -1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.563 1.620 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.053 0.160 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.636 0.735 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.030 1.242 2.304 1.00 0.00 H new ATOM 560 N THR A 33 7.330 6.615 2.195 1.00 0.00 N ATOM 561 CA THR A 33 8.222 7.816 2.270 1.00 0.00 C ATOM 562 C THR A 33 9.296 7.605 3.344 1.00 0.00 C ATOM 563 O THR A 33 10.403 8.098 3.229 1.00 0.00 O ATOM 564 CB THR A 33 7.305 8.990 2.638 1.00 0.00 C ATOM 565 OG1 THR A 33 8.084 10.173 2.758 1.00 0.00 O ATOM 566 CG2 THR A 33 6.596 8.711 3.967 1.00 0.00 C ATOM 0 H THR A 33 6.346 6.791 2.396 1.00 0.00 H new ATOM 0 HA THR A 33 8.742 8.000 1.330 1.00 0.00 H new ATOM 0 HB THR A 33 6.556 9.116 1.857 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.502 10.926 2.992 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.948 9.551 4.217 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.997 7.805 3.876 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.338 8.578 4.754 1.00 0.00 H new ATOM 574 N LYS A 34 9.003 6.803 4.337 1.00 0.00 N ATOM 575 CA LYS A 34 10.035 6.470 5.368 1.00 0.00 C ATOM 576 C LYS A 34 10.916 5.314 4.879 1.00 0.00 C ATOM 577 O LYS A 34 12.067 5.203 5.259 1.00 0.00 O ATOM 578 CB LYS A 34 9.254 6.069 6.629 1.00 0.00 C ATOM 579 CG LYS A 34 8.326 4.890 6.328 1.00 0.00 C ATOM 580 CD LYS A 34 7.951 4.190 7.638 1.00 0.00 C ATOM 581 CE LYS A 34 7.114 5.135 8.503 1.00 0.00 C ATOM 582 NZ LYS A 34 7.210 4.580 9.881 1.00 0.00 N ATOM 0 H LYS A 34 8.093 6.364 4.479 1.00 0.00 H new ATOM 0 HA LYS A 34 10.698 7.312 5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.949 5.800 7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.671 6.917 6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.428 5.241 5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.819 4.188 5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.390 3.280 7.428 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.852 3.892 8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.498 6.154 8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.079 5.170 8.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.661 5.175 10.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.831 3.612 9.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.206 4.565 10.181 1.00 0.00 H new ATOM 596 N PHE A 35 10.412 4.503 3.978 1.00 0.00 N ATOM 597 CA PHE A 35 11.250 3.414 3.393 1.00 0.00 C ATOM 598 C PHE A 35 12.128 3.977 2.272 1.00 0.00 C ATOM 599 O PHE A 35 13.253 3.556 2.081 1.00 0.00 O ATOM 600 CB PHE A 35 10.252 2.400 2.829 1.00 0.00 C ATOM 601 CG PHE A 35 10.996 1.197 2.302 1.00 0.00 C ATOM 602 CD1 PHE A 35 11.674 1.273 1.079 1.00 0.00 C ATOM 603 CD2 PHE A 35 11.009 0.005 3.037 1.00 0.00 C ATOM 604 CE1 PHE A 35 12.364 0.157 0.592 1.00 0.00 C ATOM 605 CE2 PHE A 35 11.698 -1.111 2.548 1.00 0.00 C ATOM 606 CZ PHE A 35 12.377 -1.035 1.325 1.00 0.00 C ATOM 0 H PHE A 35 9.456 4.550 3.624 1.00 0.00 H new ATOM 0 HA PHE A 35 11.915 2.963 4.130 1.00 0.00 H new ATOM 0 HB2 PHE A 35 9.550 2.095 3.605 1.00 0.00 H new ATOM 0 HB3 PHE A 35 9.666 2.856 2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.664 2.192 0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.488 -0.053 3.981 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.887 0.216 -0.351 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.706 -2.031 3.114 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.910 -1.895 0.948 1.00 0.00 H new ATOM 616 N LEU A 36 11.629 4.952 1.555 1.00 0.00 N ATOM 617 CA LEU A 36 12.439 5.584 0.465 1.00 0.00 C ATOM 618 C LEU A 36 13.739 6.163 1.035 1.00 0.00 C ATOM 619 O LEU A 36 14.746 6.230 0.356 1.00 0.00 O ATOM 620 CB LEU A 36 11.556 6.705 -0.095 1.00 0.00 C ATOM 621 CG LEU A 36 10.894 6.238 -1.394 1.00 0.00 C ATOM 622 CD1 LEU A 36 9.829 7.251 -1.815 1.00 0.00 C ATOM 623 CD2 LEU A 36 11.953 6.126 -2.493 1.00 0.00 C ATOM 0 H LEU A 36 10.693 5.340 1.677 1.00 0.00 H new ATOM 0 HA LEU A 36 12.720 4.865 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.794 6.980 0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.156 7.596 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 36 10.429 5.265 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.357 6.920 -2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.075 7.333 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.295 8.224 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.483 5.794 -3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.418 7.099 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.714 5.405 -2.193 1.00 0.00 H new ATOM 635 N GLU A 37 13.732 6.536 2.289 1.00 0.00 N ATOM 636 CA GLU A 37 14.975 7.062 2.929 1.00 0.00 C ATOM 637 C GLU A 37 15.718 5.942 3.671 1.00 0.00 C ATOM 638 O GLU A 37 16.902 6.044 3.928 1.00 0.00 O ATOM 639 CB GLU A 37 14.492 8.126 3.914 1.00 0.00 C ATOM 640 CG GLU A 37 14.327 9.461 3.184 1.00 0.00 C ATOM 641 CD GLU A 37 13.615 10.459 4.099 1.00 0.00 C ATOM 642 OE1 GLU A 37 14.124 10.709 5.179 1.00 0.00 O ATOM 643 OE2 GLU A 37 12.574 10.957 3.704 1.00 0.00 O ATOM 0 H GLU A 37 12.916 6.499 2.899 1.00 0.00 H new ATOM 0 HA GLU A 37 15.672 7.466 2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.544 7.822 4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.206 8.232 4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.302 9.851 2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.754 9.318 2.268 1.00 0.00 H new ATOM 650 N GLU A 38 15.039 4.868 3.995 1.00 0.00 N ATOM 651 CA GLU A 38 15.715 3.732 4.696 1.00 0.00 C ATOM 652 C GLU A 38 16.497 2.878 3.694 1.00 0.00 C ATOM 653 O GLU A 38 17.661 2.586 3.894 1.00 0.00 O ATOM 654 CB GLU A 38 14.581 2.920 5.323 1.00 0.00 C ATOM 655 CG GLU A 38 15.160 1.933 6.339 1.00 0.00 C ATOM 656 CD GLU A 38 15.702 2.700 7.545 1.00 0.00 C ATOM 657 OE1 GLU A 38 14.954 3.482 8.110 1.00 0.00 O ATOM 658 OE2 GLU A 38 16.856 2.494 7.885 1.00 0.00 O ATOM 0 H GLU A 38 14.047 4.729 3.804 1.00 0.00 H new ATOM 0 HA GLU A 38 16.430 4.077 5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 38 13.870 3.586 5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.034 2.382 4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.390 1.230 6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.956 1.347 5.880 1.00 0.00 H new ATOM 665 N HIS A 39 15.876 2.509 2.601 1.00 0.00 N ATOM 666 CA HIS A 39 16.594 1.710 1.563 1.00 0.00 C ATOM 667 C HIS A 39 16.710 2.516 0.259 1.00 0.00 C ATOM 668 O HIS A 39 15.892 2.366 -0.627 1.00 0.00 O ATOM 669 CB HIS A 39 15.727 0.468 1.350 1.00 0.00 C ATOM 670 CG HIS A 39 15.865 -0.448 2.535 1.00 0.00 C ATOM 671 ND1 HIS A 39 14.774 -0.849 3.290 1.00 0.00 N ATOM 672 CD2 HIS A 39 16.958 -1.050 3.108 1.00 0.00 C ATOM 673 CE1 HIS A 39 15.229 -1.656 4.265 1.00 0.00 C ATOM 674 NE2 HIS A 39 16.554 -1.812 4.199 1.00 0.00 N ATOM 0 H HIS A 39 14.904 2.727 2.384 1.00 0.00 H new ATOM 0 HA HIS A 39 17.608 1.452 1.868 1.00 0.00 H new ATOM 0 HB2 HIS A 39 14.684 0.757 1.220 1.00 0.00 H new ATOM 0 HB3 HIS A 39 16.031 -0.049 0.440 1.00 0.00 H new ATOM 0 HD1 HIS A 39 13.802 -0.581 3.134 1.00 0.00 H new ATOM 0 HD2 HIS A 39 17.977 -0.947 2.764 1.00 0.00 H new ATOM 0 HE1 HIS A 39 14.600 -2.121 5.010 1.00 0.00 H new ATOM 682 N PRO A 40 17.728 3.352 0.174 1.00 0.00 N ATOM 683 CA PRO A 40 17.934 4.182 -1.048 1.00 0.00 C ATOM 684 C PRO A 40 17.953 3.307 -2.309 1.00 0.00 C ATOM 685 O PRO A 40 18.993 2.838 -2.734 1.00 0.00 O ATOM 686 CB PRO A 40 19.303 4.822 -0.822 1.00 0.00 C ATOM 687 CG PRO A 40 19.485 4.826 0.659 1.00 0.00 C ATOM 688 CD PRO A 40 18.768 3.612 1.186 1.00 0.00 C ATOM 0 HA PRO A 40 17.139 4.912 -1.198 1.00 0.00 H new ATOM 0 HB2 PRO A 40 20.091 4.253 -1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 40 19.338 5.833 -1.227 1.00 0.00 H new ATOM 0 HG2 PRO A 40 20.543 4.794 0.919 1.00 0.00 H new ATOM 0 HG3 PRO A 40 19.077 5.737 1.097 1.00 0.00 H new ATOM 0 HD2 PRO A 40 19.444 2.763 1.293 1.00 0.00 H new ATOM 0 HD3 PRO A 40 18.333 3.799 2.168 1.00 0.00 H new ATOM 696 N GLY A 41 16.814 3.124 -2.930 1.00 0.00 N ATOM 697 CA GLY A 41 16.762 2.324 -4.188 1.00 0.00 C ATOM 698 C GLY A 41 16.312 3.219 -5.343 1.00 0.00 C ATOM 699 O GLY A 41 17.066 3.494 -6.257 1.00 0.00 O ATOM 0 H GLY A 41 15.917 3.496 -2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.743 1.900 -4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 41 16.072 1.488 -4.072 1.00 0.00 H new ATOM 703 N GLY A 42 15.099 3.710 -5.284 1.00 0.00 N ATOM 704 CA GLY A 42 14.606 4.631 -6.351 1.00 0.00 C ATOM 705 C GLY A 42 14.575 3.895 -7.691 1.00 0.00 C ATOM 706 O GLY A 42 14.752 4.490 -8.737 1.00 0.00 O ATOM 0 H GLY A 42 14.429 3.512 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.609 4.993 -6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.254 5.504 -6.419 1.00 0.00 H new ATOM 710 N GLU A 43 14.313 2.613 -7.667 1.00 0.00 N ATOM 711 CA GLU A 43 14.225 1.837 -8.941 1.00 0.00 C ATOM 712 C GLU A 43 13.539 0.488 -8.697 1.00 0.00 C ATOM 713 O GLU A 43 12.391 0.296 -9.050 1.00 0.00 O ATOM 714 CB GLU A 43 15.675 1.633 -9.383 1.00 0.00 C ATOM 715 CG GLU A 43 16.066 2.725 -10.379 1.00 0.00 C ATOM 716 CD GLU A 43 17.117 2.180 -11.348 1.00 0.00 C ATOM 717 OE1 GLU A 43 16.746 1.419 -12.227 1.00 0.00 O ATOM 718 OE2 GLU A 43 18.275 2.531 -11.195 1.00 0.00 O ATOM 0 H GLU A 43 14.156 2.069 -6.818 1.00 0.00 H new ATOM 0 HA GLU A 43 13.638 2.355 -9.699 1.00 0.00 H new ATOM 0 HB2 GLU A 43 16.337 1.662 -8.518 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.792 0.651 -9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 43 15.188 3.061 -10.930 1.00 0.00 H new ATOM 0 HG3 GLU A 43 16.460 3.592 -9.848 1.00 0.00 H new ATOM 725 N GLU A 44 14.229 -0.435 -8.077 1.00 0.00 N ATOM 726 CA GLU A 44 13.616 -1.765 -7.782 1.00 0.00 C ATOM 727 C GLU A 44 13.148 -1.829 -6.326 1.00 0.00 C ATOM 728 O GLU A 44 13.860 -2.299 -5.459 1.00 0.00 O ATOM 729 CB GLU A 44 14.734 -2.778 -8.030 1.00 0.00 C ATOM 730 CG GLU A 44 15.089 -2.795 -9.517 1.00 0.00 C ATOM 731 CD GLU A 44 16.157 -3.860 -9.776 1.00 0.00 C ATOM 732 OE1 GLU A 44 17.267 -3.685 -9.300 1.00 0.00 O ATOM 733 OE2 GLU A 44 15.846 -4.831 -10.447 1.00 0.00 O ATOM 0 H GLU A 44 15.193 -0.324 -7.762 1.00 0.00 H new ATOM 0 HA GLU A 44 12.741 -1.960 -8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.612 -2.518 -7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.417 -3.771 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.200 -3.005 -10.111 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.455 -1.816 -9.825 1.00 0.00 H new ATOM 740 N VAL A 45 11.934 -1.413 -6.065 1.00 0.00 N ATOM 741 CA VAL A 45 11.385 -1.507 -4.678 1.00 0.00 C ATOM 742 C VAL A 45 9.874 -1.247 -4.692 1.00 0.00 C ATOM 743 O VAL A 45 9.415 -0.266 -5.242 1.00 0.00 O ATOM 744 CB VAL A 45 12.130 -0.429 -3.880 1.00 0.00 C ATOM 745 CG1 VAL A 45 11.855 0.954 -4.480 1.00 0.00 C ATOM 746 CG2 VAL A 45 11.663 -0.457 -2.420 1.00 0.00 C ATOM 0 H VAL A 45 11.298 -1.012 -6.754 1.00 0.00 H new ATOM 0 HA VAL A 45 11.525 -2.494 -4.238 1.00 0.00 H new ATOM 0 HB VAL A 45 13.200 -0.629 -3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.388 1.712 -3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.196 0.976 -5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.785 1.159 -4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.193 0.309 -1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.591 -0.264 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.873 -1.436 -1.990 1.00 0.00 H new ATOM 756 N LEU A 46 9.109 -2.087 -4.031 1.00 0.00 N ATOM 757 CA LEU A 46 7.628 -1.878 -3.927 1.00 0.00 C ATOM 758 C LEU A 46 7.013 -1.513 -5.289 1.00 0.00 C ATOM 759 O LEU A 46 7.634 -1.690 -6.321 1.00 0.00 O ATOM 760 CB LEU A 46 7.475 -0.738 -2.924 1.00 0.00 C ATOM 761 CG LEU A 46 8.041 -1.185 -1.573 1.00 0.00 C ATOM 762 CD1 LEU A 46 8.618 0.020 -0.835 1.00 0.00 C ATOM 763 CD2 LEU A 46 6.926 -1.818 -0.739 1.00 0.00 C ATOM 0 H LEU A 46 9.454 -2.919 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 46 7.107 -2.781 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.001 0.148 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.425 -0.465 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 46 8.832 -1.918 -1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.020 -0.300 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.414 0.465 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.832 0.757 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.327 -2.137 0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.133 -1.088 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.522 -2.681 -1.267 1.00 0.00 H new ATOM 775 N ARG A 47 5.821 -0.975 -5.291 1.00 0.00 N ATOM 776 CA ARG A 47 5.186 -0.560 -6.578 1.00 0.00 C ATOM 777 C ARG A 47 5.727 0.803 -7.022 1.00 0.00 C ATOM 778 O ARG A 47 4.978 1.740 -7.232 1.00 0.00 O ATOM 779 CB ARG A 47 3.689 -0.473 -6.272 1.00 0.00 C ATOM 780 CG ARG A 47 2.902 -0.424 -7.583 1.00 0.00 C ATOM 781 CD ARG A 47 2.507 -1.844 -7.996 1.00 0.00 C ATOM 782 NE ARG A 47 1.944 -1.706 -9.376 1.00 0.00 N ATOM 783 CZ ARG A 47 1.150 -2.624 -9.890 1.00 0.00 C ATOM 784 NH1 ARG A 47 0.852 -3.722 -9.233 1.00 0.00 N ATOM 785 NH2 ARG A 47 0.648 -2.439 -11.080 1.00 0.00 N ATOM 0 H ARG A 47 5.259 -0.805 -4.457 1.00 0.00 H new ATOM 0 HA ARG A 47 5.396 -1.260 -7.386 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.377 -1.334 -5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.480 0.416 -5.676 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.011 0.192 -7.461 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.505 0.039 -8.364 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.369 -2.511 -7.987 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.771 -2.264 -7.310 1.00 0.00 H new ATOM 0 HE ARG A 47 2.180 -0.883 -9.931 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.238 -3.880 -8.302 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.235 -4.417 -9.654 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.871 -1.591 -11.602 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.032 -3.142 -11.489 1.00 0.00 H new ATOM 799 N GLU A 48 7.020 0.906 -7.212 1.00 0.00 N ATOM 800 CA GLU A 48 7.610 2.192 -7.695 1.00 0.00 C ATOM 801 C GLU A 48 7.358 2.356 -9.196 1.00 0.00 C ATOM 802 O GLU A 48 6.901 1.445 -9.860 1.00 0.00 O ATOM 803 CB GLU A 48 9.108 2.077 -7.411 1.00 0.00 C ATOM 804 CG GLU A 48 9.738 3.472 -7.417 1.00 0.00 C ATOM 805 CD GLU A 48 10.858 3.531 -6.377 1.00 0.00 C ATOM 806 OE1 GLU A 48 10.546 3.559 -5.198 1.00 0.00 O ATOM 807 OE2 GLU A 48 12.011 3.547 -6.778 1.00 0.00 O ATOM 0 H GLU A 48 7.692 0.155 -7.053 1.00 0.00 H new ATOM 0 HA GLU A 48 7.170 3.059 -7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.270 1.597 -6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.584 1.448 -8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.134 3.699 -8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.982 4.225 -7.196 1.00 0.00 H new ATOM 814 N GLN A 49 7.691 3.500 -9.739 1.00 0.00 N ATOM 815 CA GLN A 49 7.515 3.720 -11.205 1.00 0.00 C ATOM 816 C GLN A 49 8.693 3.119 -11.975 1.00 0.00 C ATOM 817 O GLN A 49 9.781 3.663 -11.985 1.00 0.00 O ATOM 818 CB GLN A 49 7.479 5.239 -11.378 1.00 0.00 C ATOM 819 CG GLN A 49 6.052 5.746 -11.150 1.00 0.00 C ATOM 820 CD GLN A 49 5.654 5.517 -9.690 1.00 0.00 C ATOM 821 OE1 GLN A 49 5.007 4.540 -9.371 1.00 0.00 O ATOM 822 NE2 GLN A 49 6.017 6.384 -8.785 1.00 0.00 N ATOM 0 H GLN A 49 8.078 4.293 -9.227 1.00 0.00 H new ATOM 0 HA GLN A 49 6.611 3.246 -11.588 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.161 5.712 -10.672 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.817 5.510 -12.378 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.989 6.807 -11.393 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.360 5.226 -11.812 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.560 7.204 -9.054 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.757 6.241 -7.809 1.00 0.00 H new ATOM 831 N ALA A 50 8.470 2.021 -12.653 1.00 0.00 N ATOM 832 CA ALA A 50 9.559 1.399 -13.464 1.00 0.00 C ATOM 833 C ALA A 50 8.965 0.427 -14.487 1.00 0.00 C ATOM 834 O ALA A 50 7.768 0.393 -14.701 1.00 0.00 O ATOM 835 CB ALA A 50 10.429 0.652 -12.453 1.00 0.00 C ATOM 0 H ALA A 50 7.578 1.528 -12.679 1.00 0.00 H new ATOM 0 HA ALA A 50 10.132 2.138 -14.024 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.255 0.166 -12.973 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.825 1.357 -11.722 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.828 -0.101 -11.942 1.00 0.00 H new ATOM 841 N GLY A 51 9.792 -0.391 -15.089 1.00 0.00 N ATOM 842 CA GLY A 51 9.281 -1.395 -16.067 1.00 0.00 C ATOM 843 C GLY A 51 8.745 -2.615 -15.314 1.00 0.00 C ATOM 844 O GLY A 51 8.982 -2.777 -14.133 1.00 0.00 O ATOM 0 H GLY A 51 10.801 -0.405 -14.944 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.492 -0.955 -16.677 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.079 -1.695 -16.746 1.00 0.00 H new ATOM 848 N GLY A 52 8.057 -3.490 -16.002 1.00 0.00 N ATOM 849 CA GLY A 52 7.539 -4.727 -15.346 1.00 0.00 C ATOM 850 C GLY A 52 6.179 -4.436 -14.708 1.00 0.00 C ATOM 851 O GLY A 52 5.777 -3.295 -14.582 1.00 0.00 O ATOM 0 H GLY A 52 7.831 -3.400 -16.993 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.445 -5.528 -16.079 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.242 -5.071 -14.587 1.00 0.00 H new ATOM 855 N ASP A 53 5.490 -5.459 -14.270 1.00 0.00 N ATOM 856 CA ASP A 53 4.174 -5.249 -13.596 1.00 0.00 C ATOM 857 C ASP A 53 3.789 -6.492 -12.788 1.00 0.00 C ATOM 858 O ASP A 53 2.958 -7.278 -13.201 1.00 0.00 O ATOM 859 CB ASP A 53 3.180 -5.017 -14.734 1.00 0.00 C ATOM 860 CG ASP A 53 2.052 -4.103 -14.248 1.00 0.00 C ATOM 861 OD1 ASP A 53 2.354 -3.008 -13.803 1.00 0.00 O ATOM 862 OD2 ASP A 53 0.907 -4.514 -14.331 1.00 0.00 O ATOM 0 H ASP A 53 5.783 -6.433 -14.351 1.00 0.00 H new ATOM 0 HA ASP A 53 4.195 -4.412 -12.898 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.686 -4.565 -15.587 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.771 -5.969 -15.073 1.00 0.00 H new ATOM 867 N ALA A 54 4.360 -6.650 -11.621 1.00 0.00 N ATOM 868 CA ALA A 54 4.002 -7.815 -10.756 1.00 0.00 C ATOM 869 C ALA A 54 4.511 -7.590 -9.330 1.00 0.00 C ATOM 870 O ALA A 54 4.839 -8.527 -8.632 1.00 0.00 O ATOM 871 CB ALA A 54 4.704 -9.013 -11.395 1.00 0.00 C ATOM 0 H ALA A 54 5.061 -6.021 -11.229 1.00 0.00 H new ATOM 0 HA ALA A 54 2.924 -7.964 -10.688 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.490 -9.911 -10.816 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.344 -9.144 -12.415 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.780 -8.839 -11.410 1.00 0.00 H new ATOM 877 N THR A 55 4.546 -6.352 -8.893 1.00 0.00 N ATOM 878 CA THR A 55 4.990 -6.017 -7.495 1.00 0.00 C ATOM 879 C THR A 55 6.274 -6.782 -7.103 1.00 0.00 C ATOM 880 O THR A 55 7.369 -6.324 -7.368 1.00 0.00 O ATOM 881 CB THR A 55 3.807 -6.384 -6.587 1.00 0.00 C ATOM 882 OG1 THR A 55 3.520 -7.770 -6.705 1.00 0.00 O ATOM 883 CG2 THR A 55 2.574 -5.572 -6.992 1.00 0.00 C ATOM 0 H THR A 55 4.281 -5.543 -9.455 1.00 0.00 H new ATOM 0 HA THR A 55 5.248 -4.962 -7.402 1.00 0.00 H new ATOM 0 HB THR A 55 4.068 -6.157 -5.553 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.765 -7.999 -6.123 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.737 -5.835 -6.346 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.790 -4.508 -6.892 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.316 -5.794 -8.028 1.00 0.00 H new ATOM 891 N GLU A 56 6.154 -7.954 -6.508 1.00 0.00 N ATOM 892 CA GLU A 56 7.368 -8.757 -6.139 1.00 0.00 C ATOM 893 C GLU A 56 8.316 -7.931 -5.261 1.00 0.00 C ATOM 894 O GLU A 56 8.108 -6.753 -5.043 1.00 0.00 O ATOM 895 CB GLU A 56 8.042 -9.122 -7.466 1.00 0.00 C ATOM 896 CG GLU A 56 8.751 -10.470 -7.324 1.00 0.00 C ATOM 897 CD GLU A 56 8.708 -11.214 -8.661 1.00 0.00 C ATOM 898 OE1 GLU A 56 9.421 -10.808 -9.564 1.00 0.00 O ATOM 899 OE2 GLU A 56 7.962 -12.174 -8.758 1.00 0.00 O ATOM 0 H GLU A 56 5.264 -8.387 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 56 7.103 -9.645 -5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.299 -9.172 -8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.758 -8.350 -7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.785 -10.318 -7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.270 -11.066 -6.549 1.00 0.00 H new ATOM 906 N ASN A 57 9.379 -8.537 -4.784 1.00 0.00 N ATOM 907 CA ASN A 57 10.381 -7.794 -3.949 1.00 0.00 C ATOM 908 C ASN A 57 9.689 -7.044 -2.802 1.00 0.00 C ATOM 909 O ASN A 57 9.220 -5.933 -2.972 1.00 0.00 O ATOM 910 CB ASN A 57 11.051 -6.808 -4.909 1.00 0.00 C ATOM 911 CG ASN A 57 12.553 -6.741 -4.618 1.00 0.00 C ATOM 912 OD1 ASN A 57 12.994 -7.101 -3.543 1.00 0.00 O ATOM 913 ND2 ASN A 57 13.364 -6.294 -5.538 1.00 0.00 N ATOM 0 H ASN A 57 9.597 -9.521 -4.938 1.00 0.00 H new ATOM 0 HA ASN A 57 11.101 -8.469 -3.487 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.884 -7.120 -5.940 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.605 -5.819 -4.799 1.00 0.00 H new ATOM 0 HD21 ASN A 57 14.366 -6.247 -5.355 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.995 -5.992 -6.440 1.00 0.00 H new ATOM 920 N PHE A 58 9.650 -7.633 -1.634 1.00 0.00 N ATOM 921 CA PHE A 58 9.021 -6.948 -0.465 1.00 0.00 C ATOM 922 C PHE A 58 10.100 -6.422 0.487 1.00 0.00 C ATOM 923 O PHE A 58 10.335 -5.232 0.572 1.00 0.00 O ATOM 924 CB PHE A 58 8.180 -8.025 0.219 1.00 0.00 C ATOM 925 CG PHE A 58 6.886 -8.209 -0.535 1.00 0.00 C ATOM 926 CD1 PHE A 58 6.886 -8.846 -1.782 1.00 0.00 C ATOM 927 CD2 PHE A 58 5.685 -7.741 0.010 1.00 0.00 C ATOM 928 CE1 PHE A 58 5.686 -9.015 -2.482 1.00 0.00 C ATOM 929 CE2 PHE A 58 4.484 -7.910 -0.690 1.00 0.00 C ATOM 930 CZ PHE A 58 4.485 -8.547 -1.936 1.00 0.00 C ATOM 0 H PHE A 58 10.027 -8.560 -1.439 1.00 0.00 H new ATOM 0 HA PHE A 58 8.419 -6.090 -0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.731 -8.965 0.252 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.974 -7.740 1.251 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.812 -9.207 -2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.684 -7.249 0.971 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.687 -9.507 -3.444 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.558 -7.549 -0.268 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.559 -8.678 -2.476 1.00 0.00 H new ATOM 940 N GLU A 59 10.769 -7.305 1.182 1.00 0.00 N ATOM 941 CA GLU A 59 11.856 -6.868 2.110 1.00 0.00 C ATOM 942 C GLU A 59 13.233 -7.225 1.539 1.00 0.00 C ATOM 943 O GLU A 59 14.230 -6.619 1.886 1.00 0.00 O ATOM 944 CB GLU A 59 11.599 -7.636 3.407 1.00 0.00 C ATOM 945 CG GLU A 59 11.918 -6.740 4.606 1.00 0.00 C ATOM 946 CD GLU A 59 12.152 -7.604 5.846 1.00 0.00 C ATOM 947 OE1 GLU A 59 11.494 -8.625 5.964 1.00 0.00 O ATOM 948 OE2 GLU A 59 12.984 -7.230 6.656 1.00 0.00 O ATOM 0 H GLU A 59 10.610 -8.312 1.147 1.00 0.00 H new ATOM 0 HA GLU A 59 11.853 -5.789 2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.559 -7.961 3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.215 -8.535 3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.803 -6.138 4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.096 -6.047 4.784 1.00 0.00 H new ATOM 955 N ASP A 60 13.296 -8.185 0.646 1.00 0.00 N ATOM 956 CA ASP A 60 14.608 -8.561 0.027 1.00 0.00 C ATOM 957 C ASP A 60 15.256 -7.342 -0.641 1.00 0.00 C ATOM 958 O ASP A 60 16.466 -7.238 -0.718 1.00 0.00 O ATOM 959 CB ASP A 60 14.272 -9.626 -1.019 1.00 0.00 C ATOM 960 CG ASP A 60 15.460 -10.576 -1.181 1.00 0.00 C ATOM 961 OD1 ASP A 60 15.650 -11.411 -0.312 1.00 0.00 O ATOM 962 OD2 ASP A 60 16.160 -10.452 -2.173 1.00 0.00 O ATOM 0 H ASP A 60 12.495 -8.725 0.319 1.00 0.00 H new ATOM 0 HA ASP A 60 15.316 -8.929 0.770 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.386 -10.183 -0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.038 -9.153 -1.973 1.00 0.00 H new ATOM 967 N VAL A 61 14.458 -6.403 -1.081 1.00 0.00 N ATOM 968 CA VAL A 61 15.023 -5.161 -1.697 1.00 0.00 C ATOM 969 C VAL A 61 15.809 -4.364 -0.647 1.00 0.00 C ATOM 970 O VAL A 61 15.266 -3.940 0.356 1.00 0.00 O ATOM 971 CB VAL A 61 13.807 -4.368 -2.197 1.00 0.00 C ATOM 972 CG1 VAL A 61 12.878 -4.035 -1.023 1.00 0.00 C ATOM 973 CG2 VAL A 61 14.281 -3.070 -2.860 1.00 0.00 C ATOM 0 H VAL A 61 13.439 -6.441 -1.041 1.00 0.00 H new ATOM 0 HA VAL A 61 15.716 -5.379 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 61 13.261 -4.971 -2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.018 -3.472 -1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.536 -4.959 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.419 -3.437 -0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.418 -2.507 -3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.832 -2.471 -2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 61 14.931 -3.308 -3.702 1.00 0.00 H new ATOM 983 N GLY A 62 17.071 -4.123 -0.896 1.00 0.00 N ATOM 984 CA GLY A 62 17.887 -3.314 0.057 1.00 0.00 C ATOM 985 C GLY A 62 19.112 -4.118 0.494 1.00 0.00 C ATOM 986 O GLY A 62 19.197 -5.309 0.263 1.00 0.00 O ATOM 0 H GLY A 62 17.572 -4.453 -1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 62 18.200 -2.383 -0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 62 17.288 -3.044 0.926 1.00 0.00 H new ATOM 990 N HIS A 63 20.045 -3.480 1.154 1.00 0.00 N ATOM 991 CA HIS A 63 21.255 -4.208 1.645 1.00 0.00 C ATOM 992 C HIS A 63 20.933 -4.969 2.938 1.00 0.00 C ATOM 993 O HIS A 63 19.784 -5.149 3.291 1.00 0.00 O ATOM 994 CB HIS A 63 22.312 -3.122 1.895 1.00 0.00 C ATOM 995 CG HIS A 63 21.818 -2.129 2.919 1.00 0.00 C ATOM 996 ND1 HIS A 63 22.546 -1.001 3.263 1.00 0.00 N ATOM 997 CD2 HIS A 63 20.676 -2.084 3.683 1.00 0.00 C ATOM 998 CE1 HIS A 63 21.843 -0.331 4.193 1.00 0.00 C ATOM 999 NE2 HIS A 63 20.695 -0.947 4.486 1.00 0.00 N ATOM 0 H HIS A 63 20.021 -2.484 1.375 1.00 0.00 H new ATOM 0 HA HIS A 63 21.606 -4.949 0.927 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.238 -3.581 2.242 1.00 0.00 H new ATOM 0 HB3 HIS A 63 22.541 -2.607 0.962 1.00 0.00 H new ATOM 0 HD2 HIS A 63 19.885 -2.819 3.663 1.00 0.00 H new ATOM 0 HE1 HIS A 63 22.167 0.593 4.648 1.00 0.00 H new ATOM 0 HE2 HIS A 63 19.985 -0.649 5.154 1.00 0.00 H new ATOM 1007 N SER A 64 21.945 -5.382 3.665 1.00 0.00 N ATOM 1008 CA SER A 64 21.718 -6.096 4.965 1.00 0.00 C ATOM 1009 C SER A 64 20.776 -7.291 4.772 1.00 0.00 C ATOM 1010 O SER A 64 20.585 -7.767 3.669 1.00 0.00 O ATOM 1011 CB SER A 64 21.086 -5.059 5.897 1.00 0.00 C ATOM 1012 OG SER A 64 21.136 -5.536 7.235 1.00 0.00 O ATOM 0 H SER A 64 22.925 -5.255 3.413 1.00 0.00 H new ATOM 0 HA SER A 64 22.648 -6.493 5.372 1.00 0.00 H new ATOM 0 HB2 SER A 64 21.617 -4.110 5.817 1.00 0.00 H new ATOM 0 HB3 SER A 64 20.053 -4.872 5.604 1.00 0.00 H new ATOM 0 HG SER A 64 20.733 -4.873 7.834 1.00 0.00 H new ATOM 1018 N THR A 65 20.164 -7.753 5.834 1.00 0.00 N ATOM 1019 CA THR A 65 19.204 -8.889 5.716 1.00 0.00 C ATOM 1020 C THR A 65 17.837 -8.489 6.278 1.00 0.00 C ATOM 1021 O THR A 65 17.572 -7.324 6.514 1.00 0.00 O ATOM 1022 CB THR A 65 19.819 -10.016 6.550 1.00 0.00 C ATOM 1023 OG1 THR A 65 19.996 -9.569 7.888 1.00 0.00 O ATOM 1024 CG2 THR A 65 21.171 -10.412 5.957 1.00 0.00 C ATOM 0 H THR A 65 20.289 -7.390 6.779 1.00 0.00 H new ATOM 0 HA THR A 65 19.045 -9.189 4.680 1.00 0.00 H new ATOM 0 HB THR A 65 19.155 -10.881 6.541 1.00 0.00 H new ATOM 0 HG1 THR A 65 20.388 -10.289 8.424 1.00 0.00 H new ATOM 0 HG21 THR A 65 21.608 -11.214 6.551 1.00 0.00 H new ATOM 0 HG22 THR A 65 21.032 -10.754 4.931 1.00 0.00 H new ATOM 0 HG23 THR A 65 21.838 -9.550 5.965 1.00 0.00 H new ATOM 1032 N ASP A 66 16.983 -9.449 6.524 1.00 0.00 N ATOM 1033 CA ASP A 66 15.644 -9.137 7.110 1.00 0.00 C ATOM 1034 C ASP A 66 15.486 -9.821 8.473 1.00 0.00 C ATOM 1035 O ASP A 66 15.893 -10.953 8.658 1.00 0.00 O ATOM 1036 CB ASP A 66 14.626 -9.689 6.105 1.00 0.00 C ATOM 1037 CG ASP A 66 14.845 -11.192 5.904 1.00 0.00 C ATOM 1038 OD1 ASP A 66 15.657 -11.546 5.066 1.00 0.00 O ATOM 1039 OD2 ASP A 66 14.195 -11.963 6.593 1.00 0.00 O ATOM 0 H ASP A 66 17.155 -10.438 6.344 1.00 0.00 H new ATOM 0 HA ASP A 66 15.508 -8.068 7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.613 -9.506 6.464 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.725 -9.169 5.152 1.00 0.00 H new ATOM 1044 N ALA A 67 14.859 -9.156 9.410 1.00 0.00 N ATOM 1045 CA ALA A 67 14.624 -9.777 10.746 1.00 0.00 C ATOM 1046 C ALA A 67 13.303 -10.553 10.743 1.00 0.00 C ATOM 1047 O ALA A 67 13.209 -11.634 11.293 1.00 0.00 O ATOM 1048 CB ALA A 67 14.551 -8.602 11.722 1.00 0.00 C ATOM 0 H ALA A 67 14.499 -8.207 9.306 1.00 0.00 H new ATOM 0 HA ALA A 67 15.408 -10.484 11.016 1.00 0.00 H new ATOM 0 HB1 ALA A 67 14.379 -8.977 12.731 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.490 -8.048 11.696 1.00 0.00 H new ATOM 0 HB3 ALA A 67 13.732 -7.942 11.436 1.00 0.00 H new ATOM 1054 N ARG A 68 12.299 -10.026 10.090 1.00 0.00 N ATOM 1055 CA ARG A 68 10.995 -10.747 10.001 1.00 0.00 C ATOM 1056 C ARG A 68 10.163 -10.194 8.840 1.00 0.00 C ATOM 1057 O ARG A 68 9.920 -10.877 7.862 1.00 0.00 O ATOM 1058 CB ARG A 68 10.300 -10.476 11.337 1.00 0.00 C ATOM 1059 CG ARG A 68 8.978 -11.243 11.392 1.00 0.00 C ATOM 1060 CD ARG A 68 7.986 -10.490 12.281 1.00 0.00 C ATOM 1061 NE ARG A 68 6.712 -11.270 12.192 1.00 0.00 N ATOM 1062 CZ ARG A 68 5.550 -10.724 12.493 1.00 0.00 C ATOM 1063 NH1 ARG A 68 5.462 -9.487 12.925 1.00 0.00 N ATOM 1064 NH2 ARG A 68 4.461 -11.431 12.359 1.00 0.00 N ATOM 0 H ARG A 68 12.327 -9.125 9.613 1.00 0.00 H new ATOM 0 HA ARG A 68 11.124 -11.814 9.818 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.944 -10.781 12.162 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.117 -9.408 11.453 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.569 -11.356 10.388 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.144 -12.247 11.784 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.343 -10.434 13.309 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.846 -9.466 11.936 1.00 0.00 H new ATOM 0 HE ARG A 68 6.743 -12.244 11.892 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.305 -8.924 13.035 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.550 -9.089 13.151 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.516 -12.393 12.025 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.555 -11.021 12.588 1.00 0.00 H new ATOM 1078 N GLU A 69 9.762 -8.951 8.926 1.00 0.00 N ATOM 1079 CA GLU A 69 8.985 -8.330 7.810 1.00 0.00 C ATOM 1080 C GLU A 69 8.903 -6.814 8.004 1.00 0.00 C ATOM 1081 O GLU A 69 8.353 -6.334 8.978 1.00 0.00 O ATOM 1082 CB GLU A 69 7.592 -8.958 7.899 1.00 0.00 C ATOM 1083 CG GLU A 69 7.476 -10.100 6.887 1.00 0.00 C ATOM 1084 CD GLU A 69 6.042 -10.172 6.360 1.00 0.00 C ATOM 1085 OE1 GLU A 69 5.762 -9.514 5.371 1.00 0.00 O ATOM 1086 OE2 GLU A 69 5.249 -10.883 6.953 1.00 0.00 O ATOM 0 H GLU A 69 9.939 -8.338 9.722 1.00 0.00 H new ATOM 0 HA GLU A 69 9.448 -8.502 6.838 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.415 -9.333 8.907 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.829 -8.205 7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.170 -9.941 6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.750 -11.045 7.356 1.00 0.00 H new ATOM 1093 N LEU A 70 9.406 -6.058 7.061 1.00 0.00 N ATOM 1094 CA LEU A 70 9.318 -4.569 7.157 1.00 0.00 C ATOM 1095 C LEU A 70 7.946 -4.086 6.679 1.00 0.00 C ATOM 1096 O LEU A 70 7.462 -3.054 7.107 1.00 0.00 O ATOM 1097 CB LEU A 70 10.420 -4.045 6.239 1.00 0.00 C ATOM 1098 CG LEU A 70 10.874 -2.667 6.720 1.00 0.00 C ATOM 1099 CD1 LEU A 70 12.352 -2.469 6.383 1.00 0.00 C ATOM 1100 CD2 LEU A 70 10.044 -1.585 6.025 1.00 0.00 C ATOM 0 H LEU A 70 9.875 -6.409 6.226 1.00 0.00 H new ATOM 0 HA LEU A 70 9.439 -4.215 8.181 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.263 -4.736 6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.054 -3.982 5.214 1.00 0.00 H new ATOM 0 HG LEU A 70 10.735 -2.596 7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.675 -1.486 6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.944 -3.239 6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.492 -2.541 5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.367 -0.602 6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.183 -1.657 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.990 -1.724 6.265 1.00 0.00 H new ATOM 1112 N SER A 71 7.303 -4.837 5.820 1.00 0.00 N ATOM 1113 CA SER A 71 5.943 -4.441 5.341 1.00 0.00 C ATOM 1114 C SER A 71 4.913 -4.627 6.462 1.00 0.00 C ATOM 1115 O SER A 71 3.992 -5.414 6.349 1.00 0.00 O ATOM 1116 CB SER A 71 5.639 -5.374 4.165 1.00 0.00 C ATOM 1117 OG SER A 71 6.069 -6.690 4.487 1.00 0.00 O ATOM 0 H SER A 71 7.662 -5.708 5.429 1.00 0.00 H new ATOM 0 HA SER A 71 5.901 -3.393 5.043 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.570 -5.371 3.950 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.146 -5.023 3.266 1.00 0.00 H new ATOM 0 HG SER A 71 5.299 -7.226 4.769 1.00 0.00 H new ATOM 1123 N LYS A 72 5.042 -3.872 7.523 1.00 0.00 N ATOM 1124 CA LYS A 72 4.053 -3.957 8.638 1.00 0.00 C ATOM 1125 C LYS A 72 4.050 -2.648 9.432 1.00 0.00 C ATOM 1126 O LYS A 72 3.033 -1.991 9.558 1.00 0.00 O ATOM 1127 CB LYS A 72 4.539 -5.114 9.512 1.00 0.00 C ATOM 1128 CG LYS A 72 3.380 -5.629 10.368 1.00 0.00 C ATOM 1129 CD LYS A 72 2.640 -6.734 9.611 1.00 0.00 C ATOM 1130 CE LYS A 72 1.524 -6.116 8.767 1.00 0.00 C ATOM 1131 NZ LYS A 72 0.425 -7.122 8.786 1.00 0.00 N ATOM 0 H LYS A 72 5.794 -3.197 7.665 1.00 0.00 H new ATOM 0 HA LYS A 72 3.036 -4.119 8.281 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.928 -5.917 8.887 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.357 -4.782 10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.756 -6.012 11.316 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.696 -4.813 10.603 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.334 -7.279 8.972 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.222 -7.454 10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.195 -5.164 9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.861 -5.919 7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.245 -6.919 8.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.823 -8.074 8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.071 -7.077 9.699 1.00 0.00 H new ATOM 1145 N THR A 73 5.196 -2.235 9.912 1.00 0.00 N ATOM 1146 CA THR A 73 5.288 -0.932 10.636 1.00 0.00 C ATOM 1147 C THR A 73 5.340 0.240 9.645 1.00 0.00 C ATOM 1148 O THR A 73 5.132 1.379 10.016 1.00 0.00 O ATOM 1149 CB THR A 73 6.592 -1.015 11.434 1.00 0.00 C ATOM 1150 OG1 THR A 73 7.647 -1.416 10.572 1.00 0.00 O ATOM 1151 CG2 THR A 73 6.437 -2.033 12.564 1.00 0.00 C ATOM 0 H THR A 73 6.075 -2.747 9.833 1.00 0.00 H new ATOM 0 HA THR A 73 4.422 -0.760 11.276 1.00 0.00 H new ATOM 0 HB THR A 73 6.822 -0.038 11.859 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.483 -1.468 11.081 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.366 -2.091 13.131 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.627 -1.723 13.225 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.207 -3.012 12.143 1.00 0.00 H new ATOM 1159 N TYR A 74 5.587 -0.032 8.383 1.00 0.00 N ATOM 1160 CA TYR A 74 5.616 1.062 7.365 1.00 0.00 C ATOM 1161 C TYR A 74 4.241 1.213 6.699 1.00 0.00 C ATOM 1162 O TYR A 74 4.132 1.724 5.599 1.00 0.00 O ATOM 1163 CB TYR A 74 6.654 0.610 6.335 1.00 0.00 C ATOM 1164 CG TYR A 74 8.051 0.876 6.851 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.511 0.231 8.006 1.00 0.00 C ATOM 1166 CD2 TYR A 74 8.889 1.761 6.165 1.00 0.00 C ATOM 1167 CE1 TYR A 74 9.808 0.473 8.473 1.00 0.00 C ATOM 1168 CE2 TYR A 74 10.185 2.005 6.633 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.646 1.360 7.787 1.00 0.00 C ATOM 1170 OH TYR A 74 11.925 1.598 8.247 1.00 0.00 O ATOM 0 H TYR A 74 5.770 -0.966 8.017 1.00 0.00 H new ATOM 0 HA TYR A 74 5.862 2.027 7.807 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.532 -0.453 6.127 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.499 1.139 5.395 1.00 0.00 H new ATOM 0 HD1 TYR A 74 7.865 -0.453 8.536 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.535 2.257 5.273 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.163 -0.025 9.363 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.830 2.691 6.104 1.00 0.00 H new ATOM 0 HH TYR A 74 12.372 2.238 7.654 1.00 0.00 H new ATOM 1180 N ILE A 75 3.192 0.775 7.354 1.00 0.00 N ATOM 1181 CA ILE A 75 1.825 0.896 6.756 1.00 0.00 C ATOM 1182 C ILE A 75 1.031 1.982 7.491 1.00 0.00 C ATOM 1183 O ILE A 75 1.275 2.263 8.649 1.00 0.00 O ATOM 1184 CB ILE A 75 1.167 -0.482 6.945 1.00 0.00 C ATOM 1185 CG1 ILE A 75 2.080 -1.589 6.400 1.00 0.00 C ATOM 1186 CG2 ILE A 75 -0.160 -0.520 6.184 1.00 0.00 C ATOM 1187 CD1 ILE A 75 1.484 -2.957 6.735 1.00 0.00 C ATOM 0 H ILE A 75 3.224 0.339 8.276 1.00 0.00 H new ATOM 0 HA ILE A 75 1.859 1.178 5.704 1.00 0.00 H new ATOM 0 HB ILE A 75 0.998 -0.645 8.009 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.191 -1.484 5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.076 -1.499 6.833 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.628 -1.496 6.317 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.822 0.255 6.569 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.024 -0.347 5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.134 -3.742 6.347 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.396 -3.060 7.816 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.497 -3.045 6.280 1.00 0.00 H new ATOM 1199 N ILE A 76 0.077 2.585 6.826 1.00 0.00 N ATOM 1200 CA ILE A 76 -0.747 3.648 7.482 1.00 0.00 C ATOM 1201 C ILE A 76 -2.169 3.144 7.753 1.00 0.00 C ATOM 1202 O ILE A 76 -2.827 3.597 8.672 1.00 0.00 O ATOM 1203 CB ILE A 76 -0.769 4.816 6.487 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.340 4.353 5.140 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.655 5.332 6.285 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -1.674 5.570 4.276 1.00 0.00 C ATOM 0 H ILE A 76 -0.167 2.387 5.856 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.332 3.943 8.446 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.399 5.612 6.884 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.618 3.718 4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.235 3.752 5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.644 6.162 5.579 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.057 5.672 7.239 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.280 4.530 5.893 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.079 5.238 3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.412 6.188 4.788 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.769 6.153 4.103 1.00 0.00 H new ATOM 1218 N GLY A 77 -2.633 2.191 6.986 1.00 0.00 N ATOM 1219 CA GLY A 77 -3.998 1.632 7.224 1.00 0.00 C ATOM 1220 C GLY A 77 -4.441 0.822 6.005 1.00 0.00 C ATOM 1221 O GLY A 77 -3.632 0.433 5.185 1.00 0.00 O ATOM 0 H GLY A 77 -2.125 1.776 6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.993 0.999 8.111 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.705 2.440 7.413 1.00 0.00 H new ATOM 1225 N GLU A 78 -5.724 0.610 5.857 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.233 -0.125 4.659 1.00 0.00 C ATOM 1227 C GLU A 78 -7.019 0.825 3.753 1.00 0.00 C ATOM 1228 O GLU A 78 -7.187 1.989 4.062 1.00 0.00 O ATOM 1229 CB GLU A 78 -7.153 -1.213 5.215 1.00 0.00 C ATOM 1230 CG GLU A 78 -6.397 -2.542 5.281 1.00 0.00 C ATOM 1231 CD GLU A 78 -7.382 -3.677 5.574 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -8.330 -3.439 6.303 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -7.168 -4.765 5.064 1.00 0.00 O ATOM 0 H GLU A 78 -6.442 0.914 6.515 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.424 -0.544 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.504 -0.933 6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.035 -1.316 4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.883 -2.727 4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.633 -2.500 6.058 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.547 0.322 2.667 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.379 1.175 1.766 1.00 0.00 C ATOM 1242 C LEU A 79 -9.858 0.805 1.907 1.00 0.00 C ATOM 1243 O LEU A 79 -10.197 -0.328 2.194 1.00 0.00 O ATOM 1244 CB LEU A 79 -7.883 0.866 0.353 1.00 0.00 C ATOM 1245 CG LEU A 79 -8.559 1.808 -0.645 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -7.584 2.142 -1.779 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -9.807 1.132 -1.223 1.00 0.00 C ATOM 0 H LEU A 79 -7.437 -0.646 2.364 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.291 2.235 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.800 0.983 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.104 -0.170 0.098 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.848 2.727 -0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.068 2.813 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.699 2.626 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.291 1.224 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.288 1.804 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.520 0.211 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.502 0.900 -0.416 1.00 0.00 H new ATOM 1259 N HIS A 80 -10.739 1.742 1.661 1.00 0.00 N ATOM 1260 CA HIS A 80 -12.203 1.440 1.730 1.00 0.00 C ATOM 1261 C HIS A 80 -12.567 0.348 0.707 1.00 0.00 C ATOM 1262 O HIS A 80 -12.512 0.589 -0.482 1.00 0.00 O ATOM 1263 CB HIS A 80 -12.901 2.755 1.372 1.00 0.00 C ATOM 1264 CG HIS A 80 -14.283 2.767 1.966 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -15.027 1.610 2.131 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -15.069 3.788 2.440 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -16.204 1.958 2.682 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -16.282 3.275 2.891 1.00 0.00 N ATOM 0 H HIS A 80 -10.508 2.705 1.415 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.501 1.074 2.713 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.324 3.600 1.749 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -12.958 2.866 0.289 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.789 4.831 2.460 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.990 1.258 2.926 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.062 3.793 3.294 1.00 0.00 H new ATOM 1276 N PRO A 81 -12.928 -0.829 1.190 1.00 0.00 N ATOM 1277 CA PRO A 81 -13.295 -1.946 0.272 1.00 0.00 C ATOM 1278 C PRO A 81 -14.379 -1.511 -0.725 1.00 0.00 C ATOM 1279 O PRO A 81 -14.505 -2.071 -1.798 1.00 0.00 O ATOM 1280 CB PRO A 81 -13.837 -3.021 1.212 1.00 0.00 C ATOM 1281 CG PRO A 81 -13.206 -2.731 2.533 1.00 0.00 C ATOM 1282 CD PRO A 81 -13.027 -1.238 2.604 1.00 0.00 C ATOM 0 HA PRO A 81 -12.452 -2.286 -0.330 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -14.924 -2.978 1.276 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -13.577 -4.020 0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -13.835 -3.085 3.349 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -12.247 -3.241 2.625 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.869 -0.757 3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.131 -0.968 3.162 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.149 -0.507 -0.384 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.214 -0.018 -1.317 1.00 0.00 C ATOM 1292 C ASP A 82 -15.603 0.417 -2.653 1.00 0.00 C ATOM 1293 O ASP A 82 -16.249 0.365 -3.684 1.00 0.00 O ATOM 1294 CB ASP A 82 -16.853 1.178 -0.609 1.00 0.00 C ATOM 1295 CG ASP A 82 -18.067 0.708 0.195 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -17.896 -0.158 1.037 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -19.146 1.222 -0.045 1.00 0.00 O ATOM 0 H ASP A 82 -15.087 -0.004 0.501 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.943 -0.797 -1.542 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.128 1.653 0.052 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -17.156 1.927 -1.340 1.00 0.00 H new ATOM 1302 N ASP A 83 -14.356 0.819 -2.647 1.00 0.00 N ATOM 1303 CA ASP A 83 -13.691 1.229 -3.919 1.00 0.00 C ATOM 1304 C ASP A 83 -12.592 0.230 -4.298 1.00 0.00 C ATOM 1305 O ASP A 83 -12.266 0.070 -5.460 1.00 0.00 O ATOM 1306 CB ASP A 83 -13.086 2.603 -3.624 1.00 0.00 C ATOM 1307 CG ASP A 83 -14.105 3.693 -3.963 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -14.778 3.555 -4.971 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -14.195 4.647 -3.208 1.00 0.00 O ATOM 0 H ASP A 83 -13.770 0.880 -1.814 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.390 1.259 -4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.803 2.669 -2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.177 2.745 -4.209 1.00 0.00 H new ATOM 1314 N ARG A 84 -12.045 -0.469 -3.334 1.00 0.00 N ATOM 1315 CA ARG A 84 -10.993 -1.490 -3.641 1.00 0.00 C ATOM 1316 C ARG A 84 -11.542 -2.545 -4.606 1.00 0.00 C ATOM 1317 O ARG A 84 -10.921 -2.873 -5.600 1.00 0.00 O ATOM 1318 CB ARG A 84 -10.643 -2.129 -2.296 1.00 0.00 C ATOM 1319 CG ARG A 84 -9.414 -3.027 -2.460 1.00 0.00 C ATOM 1320 CD ARG A 84 -8.154 -2.238 -2.101 1.00 0.00 C ATOM 1321 NE ARG A 84 -7.932 -1.319 -3.259 1.00 0.00 N ATOM 1322 CZ ARG A 84 -7.393 -1.747 -4.384 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -7.068 -3.008 -4.556 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -7.180 -0.898 -5.352 1.00 0.00 N ATOM 0 H ARG A 84 -12.281 -0.377 -2.346 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.120 -1.044 -4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.444 -1.355 -1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -11.487 -2.713 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.502 -3.903 -1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.349 -3.389 -3.486 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.288 -1.680 -1.174 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.301 -2.901 -1.954 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.203 -0.339 -3.177 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.231 -3.683 -3.809 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.652 -3.312 -5.437 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.430 0.084 -5.233 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.764 -1.216 -6.227 1.00 0.00 H new ATOM 1338 N SER A 85 -12.726 -3.038 -4.344 1.00 0.00 N ATOM 1339 CA SER A 85 -13.352 -4.029 -5.269 1.00 0.00 C ATOM 1340 C SER A 85 -14.185 -3.303 -6.331 1.00 0.00 C ATOM 1341 O SER A 85 -13.970 -2.137 -6.607 1.00 0.00 O ATOM 1342 CB SER A 85 -14.244 -4.890 -4.374 1.00 0.00 C ATOM 1343 OG SER A 85 -14.748 -5.986 -5.127 1.00 0.00 O ATOM 0 H SER A 85 -13.287 -2.796 -3.527 1.00 0.00 H new ATOM 0 HA SER A 85 -12.614 -4.628 -5.803 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.677 -5.253 -3.517 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.068 -4.294 -3.981 1.00 0.00 H new ATOM 0 HG SER A 85 -15.319 -6.541 -4.555 1.00 0.00 H new ATOM 1349 N LYS A 86 -15.168 -3.967 -6.887 1.00 0.00 N ATOM 1350 CA LYS A 86 -16.058 -3.304 -7.886 1.00 0.00 C ATOM 1351 C LYS A 86 -17.497 -3.283 -7.366 1.00 0.00 C ATOM 1352 O LYS A 86 -18.390 -3.869 -7.949 1.00 0.00 O ATOM 1353 CB LYS A 86 -15.948 -4.160 -9.148 1.00 0.00 C ATOM 1354 CG LYS A 86 -14.825 -3.615 -10.035 1.00 0.00 C ATOM 1355 CD LYS A 86 -15.229 -2.247 -10.598 1.00 0.00 C ATOM 1356 CE LYS A 86 -14.029 -1.296 -10.558 1.00 0.00 C ATOM 1357 NZ LYS A 86 -14.059 -0.582 -11.865 1.00 0.00 N ATOM 0 H LYS A 86 -15.392 -4.943 -6.691 1.00 0.00 H new ATOM 0 HA LYS A 86 -15.773 -2.269 -8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.745 -5.197 -8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.893 -4.150 -9.691 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.905 -3.524 -9.458 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -14.623 -4.309 -10.851 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.585 -2.356 -11.623 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -16.053 -1.833 -10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.107 -0.597 -9.725 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.095 -1.844 -10.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.266 0.089 -11.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.976 -1.271 -12.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.956 -0.064 -11.957 1.00 0.00 H new ATOM 1371 N ILE A 87 -17.724 -2.602 -6.273 1.00 0.00 N ATOM 1372 CA ILE A 87 -19.101 -2.521 -5.701 1.00 0.00 C ATOM 1373 C ILE A 87 -19.328 -1.152 -5.053 1.00 0.00 C ATOM 1374 O ILE A 87 -20.118 -1.014 -4.138 1.00 0.00 O ATOM 1375 CB ILE A 87 -19.175 -3.640 -4.651 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -18.050 -3.483 -3.614 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -19.034 -4.995 -5.345 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -18.482 -2.503 -2.523 1.00 0.00 C ATOM 0 H ILE A 87 -17.010 -2.096 -5.749 1.00 0.00 H new ATOM 0 HA ILE A 87 -19.868 -2.639 -6.466 1.00 0.00 H new ATOM 0 HB ILE A 87 -20.136 -3.578 -4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -17.813 -4.451 -3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -17.143 -3.123 -4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -19.086 -5.791 -4.602 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -19.841 -5.119 -6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -18.075 -5.042 -5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -17.681 -2.396 -1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -18.697 -1.532 -2.970 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -19.377 -2.881 -2.028 1.00 0.00 H new ATOM 1390 N ALA A 88 -18.676 -0.134 -5.554 1.00 0.00 N ATOM 1391 CA ALA A 88 -18.888 1.242 -5.006 1.00 0.00 C ATOM 1392 C ALA A 88 -20.267 1.768 -5.419 1.00 0.00 C ATOM 1393 O ALA A 88 -20.381 2.754 -6.123 1.00 0.00 O ATOM 1394 CB ALA A 88 -17.776 2.095 -5.622 1.00 0.00 C ATOM 0 H ALA A 88 -18.005 -0.195 -6.320 1.00 0.00 H new ATOM 0 HA ALA A 88 -18.855 1.262 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -17.865 3.121 -5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.806 1.693 -5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -17.864 2.079 -6.708 1.00 0.00 H new ATOM 1400 N LYS A 89 -21.314 1.137 -4.950 1.00 0.00 N ATOM 1401 CA LYS A 89 -22.692 1.616 -5.271 1.00 0.00 C ATOM 1402 C LYS A 89 -23.611 1.439 -4.051 1.00 0.00 C ATOM 1403 O LYS A 89 -23.195 0.895 -3.048 1.00 0.00 O ATOM 1404 CB LYS A 89 -23.158 0.731 -6.428 1.00 0.00 C ATOM 1405 CG LYS A 89 -22.989 1.480 -7.752 1.00 0.00 C ATOM 1406 CD LYS A 89 -21.649 1.100 -8.387 1.00 0.00 C ATOM 1407 CE LYS A 89 -21.792 1.091 -9.912 1.00 0.00 C ATOM 1408 NZ LYS A 89 -20.962 -0.058 -10.368 1.00 0.00 N ATOM 0 H LYS A 89 -21.273 0.308 -4.357 1.00 0.00 H new ATOM 0 HA LYS A 89 -22.713 2.674 -5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -22.581 -0.194 -6.446 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -24.202 0.453 -6.288 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -23.807 1.233 -8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -23.030 2.556 -7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -20.878 1.810 -8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -21.333 0.118 -8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -22.833 0.969 -10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -21.443 2.028 -10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -21.009 -0.130 -11.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.975 0.089 -10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -21.322 -0.936 -9.943 1.00 0.00 H new ATOM 1422 N PRO A 90 -24.841 1.903 -4.170 1.00 0.00 N ATOM 1423 CA PRO A 90 -25.814 1.782 -3.045 1.00 0.00 C ATOM 1424 C PRO A 90 -25.910 0.331 -2.555 1.00 0.00 C ATOM 1425 O PRO A 90 -26.153 0.075 -1.391 1.00 0.00 O ATOM 1426 CB PRO A 90 -27.137 2.228 -3.663 1.00 0.00 C ATOM 1427 CG PRO A 90 -26.750 3.107 -4.807 1.00 0.00 C ATOM 1428 CD PRO A 90 -25.442 2.580 -5.333 1.00 0.00 C ATOM 0 HA PRO A 90 -25.527 2.374 -2.176 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -27.723 1.373 -4.002 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -27.749 2.767 -2.940 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -27.514 3.091 -5.584 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -26.648 4.142 -4.482 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -25.594 1.890 -6.163 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -24.805 3.385 -5.700 1.00 0.00 H new ATOM 1436 N SER A 91 -25.680 -0.620 -3.430 1.00 0.00 N ATOM 1437 CA SER A 91 -25.708 -2.065 -3.024 1.00 0.00 C ATOM 1438 C SER A 91 -27.020 -2.405 -2.305 1.00 0.00 C ATOM 1439 O SER A 91 -27.995 -1.691 -2.413 1.00 0.00 O ATOM 1440 CB SER A 91 -24.516 -2.246 -2.081 1.00 0.00 C ATOM 1441 OG SER A 91 -23.364 -1.646 -2.660 1.00 0.00 O ATOM 0 H SER A 91 -25.472 -0.457 -4.415 1.00 0.00 H new ATOM 0 HA SER A 91 -25.647 -2.726 -3.888 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.730 -1.791 -1.114 1.00 0.00 H new ATOM 0 HB3 SER A 91 -24.337 -3.306 -1.902 1.00 0.00 H new ATOM 0 HG SER A 91 -23.313 -0.706 -2.387 1.00 0.00 H new ATOM 1447 N GLU A 92 -27.028 -3.472 -1.541 1.00 0.00 N ATOM 1448 CA GLU A 92 -28.253 -3.862 -0.765 1.00 0.00 C ATOM 1449 C GLU A 92 -29.461 -4.038 -1.703 1.00 0.00 C ATOM 1450 O GLU A 92 -29.726 -5.131 -2.169 1.00 0.00 O ATOM 1451 CB GLU A 92 -28.486 -2.731 0.247 1.00 0.00 C ATOM 1452 CG GLU A 92 -27.686 -3.011 1.520 1.00 0.00 C ATOM 1453 CD GLU A 92 -28.340 -4.158 2.292 1.00 0.00 C ATOM 1454 OE1 GLU A 92 -29.212 -3.881 3.099 1.00 0.00 O ATOM 1455 OE2 GLU A 92 -27.958 -5.294 2.063 1.00 0.00 O ATOM 0 H GLU A 92 -26.231 -4.097 -1.420 1.00 0.00 H new ATOM 0 HA GLU A 92 -28.122 -4.818 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -28.183 -1.776 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -29.547 -2.652 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -26.658 -3.269 1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -27.646 -2.116 2.141 1.00 0.00 H new ATOM 1462 N THR A 93 -30.171 -2.977 -2.012 1.00 0.00 N ATOM 1463 CA THR A 93 -31.328 -3.093 -2.950 1.00 0.00 C ATOM 1464 C THR A 93 -30.833 -3.117 -4.399 1.00 0.00 C ATOM 1465 O THR A 93 -31.438 -3.730 -5.259 1.00 0.00 O ATOM 1466 CB THR A 93 -32.175 -1.845 -2.693 1.00 0.00 C ATOM 1467 OG1 THR A 93 -31.324 -0.712 -2.580 1.00 0.00 O ATOM 1468 CG2 THR A 93 -32.968 -2.021 -1.397 1.00 0.00 C ATOM 0 H THR A 93 -29.997 -2.038 -1.654 1.00 0.00 H new ATOM 0 HA THR A 93 -31.896 -4.010 -2.793 1.00 0.00 H new ATOM 0 HB THR A 93 -32.867 -1.699 -3.522 1.00 0.00 H new ATOM 0 HG1 THR A 93 -31.865 0.089 -2.417 1.00 0.00 H new ATOM 0 HG21 THR A 93 -33.571 -1.131 -1.216 1.00 0.00 H new ATOM 0 HG22 THR A 93 -33.621 -2.890 -1.485 1.00 0.00 H new ATOM 0 HG23 THR A 93 -32.279 -2.168 -0.566 1.00 0.00 H new ATOM 1476 N LEU A 94 -29.717 -2.487 -4.664 1.00 0.00 N ATOM 1477 CA LEU A 94 -29.150 -2.504 -6.045 1.00 0.00 C ATOM 1478 C LEU A 94 -28.345 -3.787 -6.271 1.00 0.00 C ATOM 1479 O LEU A 94 -27.245 -3.871 -5.750 1.00 0.00 O ATOM 1480 CB LEU A 94 -28.238 -1.279 -6.113 1.00 0.00 C ATOM 1481 CG LEU A 94 -27.662 -1.148 -7.524 1.00 0.00 C ATOM 1482 CD1 LEU A 94 -27.375 0.323 -7.825 1.00 0.00 C ATOM 1483 CD2 LEU A 94 -26.362 -1.950 -7.618 1.00 0.00 C ATOM 1484 OXT LEU A 94 -28.843 -4.661 -6.960 1.00 0.00 O ATOM 0 H LEU A 94 -29.173 -1.960 -3.981 1.00 0.00 H new ATOM 0 HA LEU A 94 -29.925 -2.478 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -28.798 -0.381 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -27.431 -1.373 -5.387 1.00 0.00 H new ATOM 0 HG LEU A 94 -28.381 -1.532 -8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -26.965 0.415 -8.831 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -28.300 0.896 -7.757 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -26.655 0.709 -7.103 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -25.950 -1.858 -8.623 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -25.644 -1.565 -6.894 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -26.565 -2.999 -7.404 1.00 0.00 H new TER 1496 LEU A 94