USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=22 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 Single : A 1 ASP N :NH3+ -142:sc= 0 (180deg=-0.0545) USER MOD Single : A 2 LYS NZ :NH3+ 165:sc= -1.52 (180deg=-2.43) 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 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -170:sc= -1.46 USER MOD Single : A 13 GLN : amide:sc= 0.41 X(o=0.41,f=-0.026) USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= -0.018 (180deg=-0.0525) USER MOD Single : A 15 HIS : no HD1:sc= -1.92 X(o=-1.9,f=-1.8) 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 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -150:sc= -1.02 USER MOD Single : A 26 HIS : no HD1:sc= -2.13 K(o=-2.1,f=-2.7!) USER MOD Single : A 27 HIS : no HD1:sc= -3.83 K(o=-3.8,f=-4.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -141:sc= 0.0206 USER MOD Single : A 33 THR OG1 : rot 103:sc= 0.331 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HE2:sc= -1.57 K(o=-1.6,f=-7.4!) USER MOD Single : A 49 GLN : amide:sc=-0.00162 X(o=-0.0016,f=0) USER MOD Single : A 55 THR OG1 : rot 107:sc= 0.00469 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.494 K(o=-0.49,f=-1.6!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.112 USER MOD Single : A 72 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.00049) USER MOD Single : A 73 THR OG1 : rot -114:sc= 1.05 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.394 K(o=-0.39,f=-4.5!) 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 180:sc= 0.00913 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0923 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -11.939 -0.716 15.813 1.00 0.00 N ATOM 2 CA ASP A 1 -10.658 -0.076 15.395 1.00 0.00 C ATOM 3 C ASP A 1 -9.492 -0.648 16.207 1.00 0.00 C ATOM 4 O ASP A 1 -9.463 -0.551 17.419 1.00 0.00 O ATOM 5 CB ASP A 1 -10.842 1.412 15.697 1.00 0.00 C ATOM 6 CG ASP A 1 -11.801 2.025 14.674 1.00 0.00 C ATOM 7 OD1 ASP A 1 -11.748 1.620 13.524 1.00 0.00 O ATOM 8 OD2 ASP A 1 -12.572 2.888 15.059 1.00 0.00 O ATOM 0 H1 ASP A 1 -12.541 -0.866 14.978 1.00 0.00 H new ATOM 0 H2 ASP A 1 -11.739 -1.631 16.264 1.00 0.00 H new ATOM 0 H3 ASP A 1 -12.432 -0.098 16.489 1.00 0.00 H new ATOM 0 HA ASP A 1 -10.431 -0.254 14.344 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -11.236 1.544 16.705 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -9.880 1.923 15.661 1.00 0.00 H new ATOM 13 N LYS A 2 -8.514 -1.207 15.541 1.00 0.00 N ATOM 14 CA LYS A 2 -7.322 -1.748 16.260 1.00 0.00 C ATOM 15 C LYS A 2 -6.059 -0.995 15.832 1.00 0.00 C ATOM 16 O LYS A 2 -5.344 -0.451 16.652 1.00 0.00 O ATOM 17 CB LYS A 2 -7.240 -3.216 15.843 1.00 0.00 C ATOM 18 CG LYS A 2 -8.372 -4.001 16.508 1.00 0.00 C ATOM 19 CD LYS A 2 -7.871 -4.610 17.819 1.00 0.00 C ATOM 20 CE LYS A 2 -7.395 -6.043 17.570 1.00 0.00 C ATOM 21 NZ LYS A 2 -6.174 -5.901 16.728 1.00 0.00 N ATOM 0 H LYS A 2 -8.490 -1.312 14.527 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.406 -1.636 17.341 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.312 -3.301 14.759 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.275 -3.633 16.132 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.220 -3.344 16.701 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.724 -4.788 15.841 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -7.055 -4.010 18.222 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.668 -4.605 18.562 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.172 -6.553 18.507 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.159 -6.630 17.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.649 -6.798 16.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -6.450 -5.657 15.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.570 -5.148 17.116 1.00 0.00 H new ATOM 35 N ASP A 3 -5.804 -0.931 14.549 1.00 0.00 N ATOM 36 CA ASP A 3 -4.614 -0.178 14.054 1.00 0.00 C ATOM 37 C ASP A 3 -4.725 0.054 12.545 1.00 0.00 C ATOM 38 O ASP A 3 -3.739 0.039 11.832 1.00 0.00 O ATOM 39 CB ASP A 3 -3.416 -1.075 14.372 1.00 0.00 C ATOM 40 CG ASP A 3 -2.170 -0.211 14.570 1.00 0.00 C ATOM 41 OD1 ASP A 3 -1.961 0.686 13.770 1.00 0.00 O ATOM 42 OD2 ASP A 3 -1.445 -0.461 15.519 1.00 0.00 O ATOM 0 H ASP A 3 -6.371 -1.369 13.823 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.523 0.803 14.520 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.614 -1.658 15.271 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -3.254 -1.785 13.561 1.00 0.00 H new ATOM 47 N VAL A 4 -5.915 0.308 12.062 1.00 0.00 N ATOM 48 CA VAL A 4 -6.096 0.587 10.606 1.00 0.00 C ATOM 49 C VAL A 4 -7.183 1.652 10.405 1.00 0.00 C ATOM 50 O VAL A 4 -8.268 1.555 10.948 1.00 0.00 O ATOM 51 CB VAL A 4 -6.515 -0.761 9.996 1.00 0.00 C ATOM 52 CG1 VAL A 4 -6.944 -0.580 8.534 1.00 0.00 C ATOM 53 CG2 VAL A 4 -5.328 -1.726 10.043 1.00 0.00 C ATOM 0 H VAL A 4 -6.771 0.334 12.616 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.193 0.975 10.136 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.353 -1.158 10.569 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.237 -1.544 8.119 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.788 0.108 8.485 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.112 -0.175 7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.620 -2.683 9.612 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.498 -1.309 9.473 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.020 -1.873 11.078 1.00 0.00 H new ATOM 63 N LYS A 5 -6.926 2.607 9.549 1.00 0.00 N ATOM 64 CA LYS A 5 -7.970 3.618 9.209 1.00 0.00 C ATOM 65 C LYS A 5 -8.550 3.310 7.826 1.00 0.00 C ATOM 66 O LYS A 5 -7.849 2.858 6.940 1.00 0.00 O ATOM 67 CB LYS A 5 -7.237 4.960 9.199 1.00 0.00 C ATOM 68 CG LYS A 5 -8.244 6.090 8.982 1.00 0.00 C ATOM 69 CD LYS A 5 -8.707 6.630 10.337 1.00 0.00 C ATOM 70 CE LYS A 5 -9.411 7.973 10.139 1.00 0.00 C ATOM 71 NZ LYS A 5 -8.332 8.994 10.256 1.00 0.00 N ATOM 0 H LYS A 5 -6.034 2.730 9.069 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.799 3.619 9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.709 5.105 10.142 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.487 4.971 8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.789 6.889 8.397 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.099 5.725 8.413 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.384 5.919 10.811 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.853 6.750 11.003 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.898 8.023 9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.185 8.128 10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.738 9.944 10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.891 8.927 11.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.614 8.825 9.523 1.00 0.00 H new ATOM 85 N TYR A 6 -9.819 3.560 7.633 1.00 0.00 N ATOM 86 CA TYR A 6 -10.443 3.293 6.302 1.00 0.00 C ATOM 87 C TYR A 6 -10.121 4.426 5.324 1.00 0.00 C ATOM 88 O TYR A 6 -10.926 5.309 5.098 1.00 0.00 O ATOM 89 CB TYR A 6 -11.947 3.224 6.571 1.00 0.00 C ATOM 90 CG TYR A 6 -12.333 1.800 6.888 1.00 0.00 C ATOM 91 CD1 TYR A 6 -12.128 0.792 5.940 1.00 0.00 C ATOM 92 CD2 TYR A 6 -12.893 1.487 8.132 1.00 0.00 C ATOM 93 CE1 TYR A 6 -12.485 -0.529 6.234 1.00 0.00 C ATOM 94 CE2 TYR A 6 -13.249 0.165 8.428 1.00 0.00 C ATOM 95 CZ TYR A 6 -13.045 -0.842 7.478 1.00 0.00 C ATOM 96 OH TYR A 6 -13.395 -2.146 7.769 1.00 0.00 O ATOM 0 H TYR A 6 -10.451 3.938 8.339 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.069 2.374 5.852 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.209 3.878 7.403 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.500 3.578 5.701 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.694 1.033 4.981 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.051 2.265 8.864 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -12.328 -1.307 5.501 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -13.680 -0.077 9.388 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.768 -2.190 8.674 1.00 0.00 H new ATOM 106 N TYR A 7 -8.971 4.367 4.698 1.00 0.00 N ATOM 107 CA TYR A 7 -8.617 5.399 3.677 1.00 0.00 C ATOM 108 C TYR A 7 -9.431 5.170 2.401 1.00 0.00 C ATOM 109 O TYR A 7 -9.551 4.056 1.924 1.00 0.00 O ATOM 110 CB TYR A 7 -7.125 5.200 3.404 1.00 0.00 C ATOM 111 CG TYR A 7 -6.327 5.560 4.636 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.497 6.811 5.241 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.415 4.641 5.172 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.756 7.144 6.382 1.00 0.00 C ATOM 115 CE2 TYR A 7 -4.675 4.975 6.313 1.00 0.00 C ATOM 116 CZ TYR A 7 -4.844 6.226 6.917 1.00 0.00 C ATOM 117 OH TYR A 7 -4.114 6.556 8.041 1.00 0.00 O ATOM 0 H TYR A 7 -8.263 3.649 4.851 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.833 6.411 4.020 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.932 4.164 3.124 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -6.814 5.820 2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.200 7.519 4.828 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.283 3.676 4.706 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.888 8.109 6.849 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -3.973 4.266 6.727 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.529 5.808 8.282 1.00 0.00 H new ATOM 127 N THR A 8 -9.977 6.217 1.839 1.00 0.00 N ATOM 128 CA THR A 8 -10.772 6.068 0.581 1.00 0.00 C ATOM 129 C THR A 8 -9.842 5.845 -0.613 1.00 0.00 C ATOM 130 O THR A 8 -8.657 6.117 -0.551 1.00 0.00 O ATOM 131 CB THR A 8 -11.544 7.384 0.418 1.00 0.00 C ATOM 132 OG1 THR A 8 -10.625 8.458 0.247 1.00 0.00 O ATOM 133 CG2 THR A 8 -12.415 7.633 1.653 1.00 0.00 C ATOM 0 H THR A 8 -9.907 7.170 2.196 1.00 0.00 H new ATOM 0 HA THR A 8 -11.444 5.211 0.629 1.00 0.00 H new ATOM 0 HB THR A 8 -12.187 7.318 -0.460 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.105 9.311 0.301 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.960 8.569 1.531 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.123 6.813 1.770 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.782 7.695 2.538 1.00 0.00 H new ATOM 141 N LEU A 9 -10.381 5.376 -1.708 1.00 0.00 N ATOM 142 CA LEU A 9 -9.551 5.157 -2.931 1.00 0.00 C ATOM 143 C LEU A 9 -9.308 6.484 -3.657 1.00 0.00 C ATOM 144 O LEU A 9 -8.306 6.660 -4.324 1.00 0.00 O ATOM 145 CB LEU A 9 -10.382 4.212 -3.802 1.00 0.00 C ATOM 146 CG LEU A 9 -9.564 3.774 -5.018 1.00 0.00 C ATOM 147 CD1 LEU A 9 -8.902 2.425 -4.728 1.00 0.00 C ATOM 148 CD2 LEU A 9 -10.488 3.633 -6.230 1.00 0.00 C ATOM 0 H LEU A 9 -11.367 5.134 -1.809 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.570 4.744 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.684 3.340 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.295 4.711 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.797 4.520 -5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.319 2.112 -5.594 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.245 2.520 -3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.670 1.680 -4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.906 3.321 -7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.253 2.886 -6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.964 4.591 -6.438 1.00 0.00 H new ATOM 160 N GLU A 10 -10.203 7.428 -3.505 1.00 0.00 N ATOM 161 CA GLU A 10 -10.015 8.760 -4.157 1.00 0.00 C ATOM 162 C GLU A 10 -8.970 9.583 -3.397 1.00 0.00 C ATOM 163 O GLU A 10 -8.282 10.407 -3.971 1.00 0.00 O ATOM 164 CB GLU A 10 -11.384 9.438 -4.088 1.00 0.00 C ATOM 165 CG GLU A 10 -12.369 8.693 -4.991 1.00 0.00 C ATOM 166 CD GLU A 10 -12.137 9.102 -6.446 1.00 0.00 C ATOM 167 OE1 GLU A 10 -11.975 10.286 -6.690 1.00 0.00 O ATOM 168 OE2 GLU A 10 -12.125 8.224 -7.294 1.00 0.00 O ATOM 0 H GLU A 10 -11.058 7.333 -2.956 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.659 8.666 -5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.748 9.442 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.302 10.479 -4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.238 7.617 -4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.393 8.922 -4.697 1.00 0.00 H new ATOM 175 N GLU A 11 -8.825 9.342 -2.118 1.00 0.00 N ATOM 176 CA GLU A 11 -7.797 10.082 -1.323 1.00 0.00 C ATOM 177 C GLU A 11 -6.398 9.546 -1.634 1.00 0.00 C ATOM 178 O GLU A 11 -5.452 10.300 -1.767 1.00 0.00 O ATOM 179 CB GLU A 11 -8.162 9.825 0.142 1.00 0.00 C ATOM 180 CG GLU A 11 -7.196 10.585 1.054 1.00 0.00 C ATOM 181 CD GLU A 11 -7.942 11.073 2.298 1.00 0.00 C ATOM 182 OE1 GLU A 11 -9.074 11.503 2.153 1.00 0.00 O ATOM 183 OE2 GLU A 11 -7.368 11.007 3.372 1.00 0.00 O ATOM 0 H GLU A 11 -9.374 8.664 -1.590 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.785 11.147 -1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.186 10.145 0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.116 8.757 0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.368 9.938 1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.766 11.432 0.520 1.00 0.00 H new ATOM 190 N ILE A 12 -6.268 8.252 -1.785 1.00 0.00 N ATOM 191 CA ILE A 12 -4.935 7.665 -2.131 1.00 0.00 C ATOM 192 C ILE A 12 -4.529 8.072 -3.552 1.00 0.00 C ATOM 193 O ILE A 12 -3.357 8.168 -3.864 1.00 0.00 O ATOM 194 CB ILE A 12 -5.120 6.145 -2.034 1.00 0.00 C ATOM 195 CG1 ILE A 12 -5.554 5.773 -0.612 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.798 5.443 -2.360 1.00 0.00 C ATOM 197 CD1 ILE A 12 -5.873 4.278 -0.546 1.00 0.00 C ATOM 0 H ILE A 12 -7.026 7.576 -1.684 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.148 8.016 -1.464 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.884 5.829 -2.745 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.762 6.018 0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.430 6.355 -0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.932 4.364 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.486 5.705 -3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.033 5.760 -1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.181 4.016 0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.679 4.047 -1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.986 3.704 -0.815 1.00 0.00 H new ATOM 209 N GLN A 13 -5.487 8.351 -4.400 1.00 0.00 N ATOM 210 CA GLN A 13 -5.160 8.799 -5.787 1.00 0.00 C ATOM 211 C GLN A 13 -5.040 10.325 -5.841 1.00 0.00 C ATOM 212 O GLN A 13 -5.583 10.967 -6.719 1.00 0.00 O ATOM 213 CB GLN A 13 -6.335 8.324 -6.643 1.00 0.00 C ATOM 214 CG GLN A 13 -6.354 6.795 -6.681 1.00 0.00 C ATOM 215 CD GLN A 13 -7.505 6.320 -7.570 1.00 0.00 C ATOM 216 OE1 GLN A 13 -7.309 6.031 -8.733 1.00 0.00 O ATOM 217 NE2 GLN A 13 -8.706 6.227 -7.068 1.00 0.00 N ATOM 0 H GLN A 13 -6.483 8.287 -4.190 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.209 8.395 -6.136 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.272 8.700 -6.233 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.247 8.722 -7.654 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.406 6.419 -7.064 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.471 6.397 -5.673 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.871 6.470 -6.091 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.480 5.912 -7.653 1.00 0.00 H new ATOM 226 N LYS A 14 -4.297 10.904 -4.931 1.00 0.00 N ATOM 227 CA LYS A 14 -4.094 12.384 -4.947 1.00 0.00 C ATOM 228 C LYS A 14 -2.815 12.748 -4.187 1.00 0.00 C ATOM 229 O LYS A 14 -2.691 13.833 -3.650 1.00 0.00 O ATOM 230 CB LYS A 14 -5.324 12.964 -4.240 1.00 0.00 C ATOM 231 CG LYS A 14 -6.257 13.613 -5.267 1.00 0.00 C ATOM 232 CD LYS A 14 -5.562 14.822 -5.896 1.00 0.00 C ATOM 233 CE LYS A 14 -5.986 14.952 -7.360 1.00 0.00 C ATOM 234 NZ LYS A 14 -5.147 13.965 -8.092 1.00 0.00 N ATOM 0 H LYS A 14 -3.821 10.412 -4.175 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.986 12.775 -5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.852 12.175 -3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.015 13.701 -3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.524 12.891 -6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.185 13.923 -4.786 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.822 15.729 -5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.480 14.708 -5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.047 14.737 -7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.820 15.963 -7.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.254 14.110 -9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.150 14.093 -7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.450 13.001 -7.845 1.00 0.00 H new ATOM 248 N HIS A 15 -1.853 11.860 -4.167 1.00 0.00 N ATOM 249 CA HIS A 15 -0.563 12.160 -3.477 1.00 0.00 C ATOM 250 C HIS A 15 0.581 12.219 -4.492 1.00 0.00 C ATOM 251 O HIS A 15 0.360 12.230 -5.689 1.00 0.00 O ATOM 252 CB HIS A 15 -0.355 11.001 -2.502 1.00 0.00 C ATOM 253 CG HIS A 15 -1.421 11.037 -1.444 1.00 0.00 C ATOM 254 ND1 HIS A 15 -1.164 11.463 -0.150 1.00 0.00 N ATOM 255 CD2 HIS A 15 -2.752 10.701 -1.470 1.00 0.00 C ATOM 256 CE1 HIS A 15 -2.316 11.374 0.542 1.00 0.00 C ATOM 257 NE2 HIS A 15 -3.315 10.915 -0.216 1.00 0.00 N ATOM 0 H HIS A 15 -1.906 10.938 -4.600 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.584 13.123 -2.967 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.390 10.052 -3.036 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.631 11.071 -2.042 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.282 10.327 -2.334 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.419 11.641 1.583 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.283 10.756 0.064 1.00 0.00 H new ATOM 266 N LYS A 16 1.803 12.216 -4.021 1.00 0.00 N ATOM 267 CA LYS A 16 2.971 12.226 -4.952 1.00 0.00 C ATOM 268 C LYS A 16 4.108 11.374 -4.380 1.00 0.00 C ATOM 269 O LYS A 16 3.931 10.658 -3.413 1.00 0.00 O ATOM 270 CB LYS A 16 3.392 13.693 -5.043 1.00 0.00 C ATOM 271 CG LYS A 16 2.740 14.337 -6.268 1.00 0.00 C ATOM 272 CD LYS A 16 2.533 15.831 -6.011 1.00 0.00 C ATOM 273 CE LYS A 16 1.137 16.060 -5.429 1.00 0.00 C ATOM 274 NZ LYS A 16 1.283 17.240 -4.532 1.00 0.00 N ATOM 0 H LYS A 16 2.042 12.207 -3.029 1.00 0.00 H new ATOM 0 HA LYS A 16 2.725 11.812 -5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.095 14.224 -4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.477 13.767 -5.114 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.369 14.192 -7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.784 13.858 -6.478 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.291 16.201 -5.321 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.648 16.390 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.407 16.250 -6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.791 15.186 -4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.365 17.459 -4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.979 17.027 -3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.607 18.059 -5.085 1.00 0.00 H new ATOM 288 N ASP A 17 5.282 11.479 -4.948 1.00 0.00 N ATOM 289 CA ASP A 17 6.450 10.714 -4.416 1.00 0.00 C ATOM 290 C ASP A 17 7.394 11.651 -3.654 1.00 0.00 C ATOM 291 O ASP A 17 7.003 12.712 -3.212 1.00 0.00 O ATOM 292 CB ASP A 17 7.141 10.124 -5.654 1.00 0.00 C ATOM 293 CG ASP A 17 7.579 11.249 -6.599 1.00 0.00 C ATOM 294 OD1 ASP A 17 6.774 11.653 -7.422 1.00 0.00 O ATOM 295 OD2 ASP A 17 8.713 11.685 -6.482 1.00 0.00 O ATOM 0 H ASP A 17 5.483 12.063 -5.760 1.00 0.00 H new ATOM 0 HA ASP A 17 6.151 9.935 -3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.007 9.535 -5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.461 9.448 -6.172 1.00 0.00 H new ATOM 300 N SER A 18 8.647 11.281 -3.545 1.00 0.00 N ATOM 301 CA SER A 18 9.663 12.150 -2.859 1.00 0.00 C ATOM 302 C SER A 18 9.261 12.417 -1.400 1.00 0.00 C ATOM 303 O SER A 18 9.730 11.753 -0.494 1.00 0.00 O ATOM 304 CB SER A 18 9.720 13.457 -3.665 1.00 0.00 C ATOM 305 OG SER A 18 10.955 13.520 -4.367 1.00 0.00 O ATOM 0 H SER A 18 9.017 10.402 -3.906 1.00 0.00 H new ATOM 0 HA SER A 18 10.639 11.667 -2.825 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.887 13.502 -4.366 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.623 14.314 -2.998 1.00 0.00 H new ATOM 0 HG SER A 18 10.995 14.351 -4.884 1.00 0.00 H new ATOM 311 N LYS A 19 8.386 13.367 -1.165 1.00 0.00 N ATOM 312 CA LYS A 19 7.942 13.657 0.237 1.00 0.00 C ATOM 313 C LYS A 19 7.332 12.406 0.878 1.00 0.00 C ATOM 314 O LYS A 19 7.501 12.161 2.058 1.00 0.00 O ATOM 315 CB LYS A 19 6.885 14.757 0.105 1.00 0.00 C ATOM 316 CG LYS A 19 6.879 15.614 1.373 1.00 0.00 C ATOM 317 CD LYS A 19 6.111 16.910 1.109 1.00 0.00 C ATOM 318 CE LYS A 19 6.309 17.869 2.285 1.00 0.00 C ATOM 319 NZ LYS A 19 5.126 17.651 3.163 1.00 0.00 N ATOM 0 H LYS A 19 7.960 13.954 -1.883 1.00 0.00 H new ATOM 0 HA LYS A 19 8.774 13.963 0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.098 15.378 -0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.902 14.314 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.416 15.065 2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.901 15.840 1.677 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.462 17.372 0.186 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.051 16.696 0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.238 17.658 2.815 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.364 18.903 1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.190 18.275 3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.257 17.866 2.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.104 16.659 3.476 1.00 0.00 H new ATOM 333 N SER A 20 6.660 11.596 0.101 1.00 0.00 N ATOM 334 CA SER A 20 6.075 10.335 0.648 1.00 0.00 C ATOM 335 C SER A 20 5.606 9.430 -0.493 1.00 0.00 C ATOM 336 O SER A 20 5.470 9.863 -1.622 1.00 0.00 O ATOM 337 CB SER A 20 4.887 10.786 1.498 1.00 0.00 C ATOM 338 OG SER A 20 3.924 11.414 0.662 1.00 0.00 O ATOM 0 H SER A 20 6.491 11.754 -0.892 1.00 0.00 H new ATOM 0 HA SER A 20 6.798 9.763 1.229 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.442 9.930 2.005 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.220 11.478 2.272 1.00 0.00 H new ATOM 0 HG SER A 20 3.160 11.703 1.203 1.00 0.00 H new ATOM 344 N THR A 21 5.319 8.187 -0.197 1.00 0.00 N ATOM 345 CA THR A 21 4.810 7.260 -1.252 1.00 0.00 C ATOM 346 C THR A 21 3.718 6.349 -0.683 1.00 0.00 C ATOM 347 O THR A 21 3.950 5.589 0.239 1.00 0.00 O ATOM 348 CB THR A 21 6.030 6.437 -1.689 1.00 0.00 C ATOM 349 OG1 THR A 21 5.639 5.514 -2.695 1.00 0.00 O ATOM 350 CG2 THR A 21 6.606 5.673 -0.492 1.00 0.00 C ATOM 0 H THR A 21 5.416 7.774 0.731 1.00 0.00 H new ATOM 0 HA THR A 21 4.364 7.798 -2.089 1.00 0.00 H new ATOM 0 HB THR A 21 6.793 7.110 -2.082 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.206 4.716 -2.645 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.471 5.092 -0.813 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.910 6.381 0.279 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.847 5.002 -0.090 1.00 0.00 H new ATOM 358 N TRP A 22 2.546 6.382 -1.266 1.00 0.00 N ATOM 359 CA TRP A 22 1.451 5.475 -0.812 1.00 0.00 C ATOM 360 C TRP A 22 1.357 4.261 -1.742 1.00 0.00 C ATOM 361 O TRP A 22 0.762 4.328 -2.801 1.00 0.00 O ATOM 362 CB TRP A 22 0.178 6.319 -0.888 1.00 0.00 C ATOM 363 CG TRP A 22 -0.001 7.074 0.393 1.00 0.00 C ATOM 364 CD1 TRP A 22 0.966 7.781 1.023 1.00 0.00 C ATOM 365 CD2 TRP A 22 -1.203 7.212 1.207 1.00 0.00 C ATOM 366 NE1 TRP A 22 0.436 8.341 2.171 1.00 0.00 N ATOM 367 CE2 TRP A 22 -0.898 8.020 2.328 1.00 0.00 C ATOM 368 CE3 TRP A 22 -2.514 6.718 1.083 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -1.859 8.327 3.291 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -3.484 7.026 2.051 1.00 0.00 C ATOM 371 CH2 TRP A 22 -3.157 7.830 3.152 1.00 0.00 C ATOM 0 H TRP A 22 2.301 7.000 -2.039 1.00 0.00 H new ATOM 0 HA TRP A 22 1.619 5.090 0.194 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.240 7.014 -1.726 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.685 5.678 -1.068 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.986 7.890 0.684 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.966 8.920 2.822 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.776 6.098 0.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.601 8.945 4.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.488 6.641 1.947 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.908 8.065 3.892 1.00 0.00 H new ATOM 382 N VAL A 23 1.940 3.155 -1.352 1.00 0.00 N ATOM 383 CA VAL A 23 1.886 1.929 -2.209 1.00 0.00 C ATOM 384 C VAL A 23 0.868 0.930 -1.648 1.00 0.00 C ATOM 385 O VAL A 23 0.928 0.554 -0.493 1.00 0.00 O ATOM 386 CB VAL A 23 3.302 1.343 -2.160 1.00 0.00 C ATOM 387 CG1 VAL A 23 3.368 0.081 -3.025 1.00 0.00 C ATOM 388 CG2 VAL A 23 4.304 2.370 -2.695 1.00 0.00 C ATOM 0 H VAL A 23 2.452 3.047 -0.476 1.00 0.00 H new ATOM 0 HA VAL A 23 1.576 2.155 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 23 3.549 1.093 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.376 -0.333 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.659 -0.656 -2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.117 0.333 -4.055 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.309 1.950 -2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.052 2.621 -3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.264 3.270 -2.082 1.00 0.00 H new ATOM 398 N ILE A 24 -0.042 0.475 -2.469 1.00 0.00 N ATOM 399 CA ILE A 24 -1.046 -0.532 -2.005 1.00 0.00 C ATOM 400 C ILE A 24 -0.473 -1.947 -2.136 1.00 0.00 C ATOM 401 O ILE A 24 0.293 -2.236 -3.035 1.00 0.00 O ATOM 402 CB ILE A 24 -2.262 -0.362 -2.931 1.00 0.00 C ATOM 403 CG1 ILE A 24 -2.713 1.110 -2.975 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.415 -1.230 -2.421 1.00 0.00 C ATOM 405 CD1 ILE A 24 -3.021 1.613 -1.560 1.00 0.00 C ATOM 0 H ILE A 24 -0.135 0.758 -3.445 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.313 -0.385 -0.958 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.979 -0.671 -3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.932 1.724 -3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.598 1.208 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.278 -1.111 -3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.107 -2.276 -2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.682 -0.923 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.339 2.655 -1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.817 1.009 -1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.126 1.533 -0.943 1.00 0.00 H new ATOM 417 N LEU A 25 -0.882 -2.840 -1.271 1.00 0.00 N ATOM 418 CA LEU A 25 -0.416 -4.258 -1.363 1.00 0.00 C ATOM 419 C LEU A 25 -1.629 -5.198 -1.403 1.00 0.00 C ATOM 420 O LEU A 25 -2.057 -5.621 -2.460 1.00 0.00 O ATOM 421 CB LEU A 25 0.414 -4.483 -0.088 1.00 0.00 C ATOM 422 CG LEU A 25 1.898 -4.677 -0.434 1.00 0.00 C ATOM 423 CD1 LEU A 25 2.069 -5.914 -1.316 1.00 0.00 C ATOM 424 CD2 LEU A 25 2.427 -3.444 -1.174 1.00 0.00 C ATOM 0 H LEU A 25 -1.522 -2.647 -0.501 1.00 0.00 H new ATOM 0 HA LEU A 25 0.168 -4.455 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.300 -3.630 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.042 -5.358 0.444 1.00 0.00 H new ATOM 0 HG LEU A 25 2.461 -4.812 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.124 -6.046 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.706 -6.793 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.499 -5.786 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.480 -3.589 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.860 -3.300 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.318 -2.564 -0.539 1.00 0.00 H new ATOM 436 N HIS A 26 -2.250 -5.428 -0.272 1.00 0.00 N ATOM 437 CA HIS A 26 -3.514 -6.227 -0.250 1.00 0.00 C ATOM 438 C HIS A 26 -4.533 -5.539 0.663 1.00 0.00 C ATOM 439 O HIS A 26 -4.548 -5.743 1.860 1.00 0.00 O ATOM 440 CB HIS A 26 -3.128 -7.613 0.291 1.00 0.00 C ATOM 441 CG HIS A 26 -2.449 -7.493 1.633 1.00 0.00 C ATOM 442 ND1 HIS A 26 -3.134 -7.658 2.827 1.00 0.00 N ATOM 443 CD2 HIS A 26 -1.145 -7.238 1.981 1.00 0.00 C ATOM 444 CE1 HIS A 26 -2.249 -7.500 3.828 1.00 0.00 C ATOM 445 NE2 HIS A 26 -1.022 -7.243 3.368 1.00 0.00 N ATOM 0 H HIS A 26 -1.935 -5.096 0.639 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.969 -6.313 -1.237 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.019 -8.234 0.383 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.464 -8.112 -0.415 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.338 -7.061 1.285 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.500 -7.572 4.876 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.176 -7.084 3.915 1.00 0.00 H new ATOM 453 N HIS A 27 -5.356 -4.681 0.104 1.00 0.00 N ATOM 454 CA HIS A 27 -6.352 -3.919 0.931 1.00 0.00 C ATOM 455 C HIS A 27 -5.643 -3.159 2.062 1.00 0.00 C ATOM 456 O HIS A 27 -6.258 -2.775 3.041 1.00 0.00 O ATOM 457 CB HIS A 27 -7.309 -4.972 1.503 1.00 0.00 C ATOM 458 CG HIS A 27 -8.412 -4.289 2.267 1.00 0.00 C ATOM 459 ND1 HIS A 27 -9.194 -4.963 3.193 1.00 0.00 N ATOM 460 CD2 HIS A 27 -8.877 -2.998 2.253 1.00 0.00 C ATOM 461 CE1 HIS A 27 -10.078 -4.081 3.695 1.00 0.00 C ATOM 462 NE2 HIS A 27 -9.928 -2.868 3.157 1.00 0.00 N ATOM 0 H HIS A 27 -5.381 -4.474 -0.894 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.884 -3.176 0.337 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.729 -5.573 0.696 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.767 -5.653 2.158 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.487 -2.203 1.635 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.819 -4.325 4.442 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.467 -2.027 3.364 1.00 0.00 H new ATOM 470 N LYS A 28 -4.366 -2.897 1.911 1.00 0.00 N ATOM 471 CA LYS A 28 -3.623 -2.117 2.945 1.00 0.00 C ATOM 472 C LYS A 28 -2.892 -0.942 2.290 1.00 0.00 C ATOM 473 O LYS A 28 -2.478 -1.022 1.147 1.00 0.00 O ATOM 474 CB LYS A 28 -2.624 -3.109 3.541 1.00 0.00 C ATOM 475 CG LYS A 28 -2.488 -2.862 5.047 1.00 0.00 C ATOM 476 CD LYS A 28 -3.386 -3.837 5.811 1.00 0.00 C ATOM 477 CE LYS A 28 -3.716 -3.255 7.188 1.00 0.00 C ATOM 478 NZ LYS A 28 -2.619 -3.727 8.078 1.00 0.00 N ATOM 0 H LYS A 28 -3.806 -3.193 1.111 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.282 -1.697 3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.958 -4.130 3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.654 -3.000 3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.450 -2.991 5.354 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.765 -1.835 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.304 -4.018 5.251 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.885 -4.799 5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.758 -2.166 7.157 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.687 -3.602 7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.775 -3.368 9.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.608 -4.767 8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.707 -3.376 7.721 1.00 0.00 H new ATOM 492 N VAL A 29 -2.713 0.141 3.008 1.00 0.00 N ATOM 493 CA VAL A 29 -1.990 1.315 2.430 1.00 0.00 C ATOM 494 C VAL A 29 -0.644 1.498 3.132 1.00 0.00 C ATOM 495 O VAL A 29 -0.550 1.419 4.342 1.00 0.00 O ATOM 496 CB VAL A 29 -2.904 2.519 2.682 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.279 3.772 2.065 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.277 2.271 2.045 1.00 0.00 C ATOM 0 H VAL A 29 -3.036 0.261 3.968 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.780 1.189 1.368 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.024 2.659 3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.929 4.629 2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.305 3.954 2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.157 3.627 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.923 3.130 2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.159 2.127 0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.726 1.380 2.484 1.00 0.00 H new ATOM 508 N TYR A 30 0.403 1.704 2.375 1.00 0.00 N ATOM 509 CA TYR A 30 1.758 1.844 2.984 1.00 0.00 C ATOM 510 C TYR A 30 2.231 3.297 2.944 1.00 0.00 C ATOM 511 O TYR A 30 2.257 3.911 1.897 1.00 0.00 O ATOM 512 CB TYR A 30 2.674 0.995 2.102 1.00 0.00 C ATOM 513 CG TYR A 30 2.516 -0.462 2.448 1.00 0.00 C ATOM 514 CD1 TYR A 30 1.287 -1.101 2.257 1.00 0.00 C ATOM 515 CD2 TYR A 30 3.605 -1.176 2.955 1.00 0.00 C ATOM 516 CE1 TYR A 30 1.147 -2.454 2.576 1.00 0.00 C ATOM 517 CE2 TYR A 30 3.466 -2.528 3.274 1.00 0.00 C ATOM 518 CZ TYR A 30 2.236 -3.170 3.085 1.00 0.00 C ATOM 519 OH TYR A 30 2.098 -4.506 3.400 1.00 0.00 O ATOM 0 H TYR A 30 0.377 1.781 1.358 1.00 0.00 H new ATOM 0 HA TYR A 30 1.758 1.533 4.029 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.432 1.156 1.051 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.711 1.300 2.241 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.446 -0.549 1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.554 -0.682 3.100 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.198 -2.948 2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.308 -3.079 3.667 1.00 0.00 H new ATOM 0 HH TYR A 30 2.593 -4.701 4.223 1.00 0.00 H new ATOM 529 N ASP A 31 2.795 3.770 4.024 1.00 0.00 N ATOM 530 CA ASP A 31 3.487 5.093 3.989 1.00 0.00 C ATOM 531 C ASP A 31 4.992 4.857 4.121 1.00 0.00 C ATOM 532 O ASP A 31 5.533 4.837 5.210 1.00 0.00 O ATOM 533 CB ASP A 31 2.947 5.870 5.190 1.00 0.00 C ATOM 534 CG ASP A 31 3.596 7.255 5.241 1.00 0.00 C ATOM 535 OD1 ASP A 31 3.078 8.155 4.600 1.00 0.00 O ATOM 536 OD2 ASP A 31 4.601 7.392 5.919 1.00 0.00 O ATOM 0 H ASP A 31 2.807 3.298 4.928 1.00 0.00 H new ATOM 0 HA ASP A 31 3.314 5.643 3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.864 5.968 5.115 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.155 5.326 6.111 1.00 0.00 H new ATOM 541 N LEU A 32 5.644 4.569 3.025 1.00 0.00 N ATOM 542 CA LEU A 32 7.094 4.201 3.083 1.00 0.00 C ATOM 543 C LEU A 32 7.975 5.441 2.909 1.00 0.00 C ATOM 544 O LEU A 32 8.986 5.399 2.232 1.00 0.00 O ATOM 545 CB LEU A 32 7.310 3.220 1.919 1.00 0.00 C ATOM 546 CG LEU A 32 6.280 2.071 1.981 1.00 0.00 C ATOM 547 CD1 LEU A 32 5.484 2.020 0.675 1.00 0.00 C ATOM 548 CD2 LEU A 32 6.998 0.733 2.185 1.00 0.00 C ATOM 0 H LEU A 32 5.236 4.572 2.090 1.00 0.00 H new ATOM 0 HA LEU A 32 7.361 3.760 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.218 3.747 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.320 2.813 1.961 1.00 0.00 H new ATOM 0 HG LEU A 32 5.604 2.250 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.758 1.208 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.962 2.966 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.164 1.850 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.264 -0.071 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.682 0.557 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.560 0.760 3.118 1.00 0.00 H new ATOM 560 N THR A 33 7.639 6.521 3.570 1.00 0.00 N ATOM 561 CA THR A 33 8.500 7.741 3.503 1.00 0.00 C ATOM 562 C THR A 33 9.825 7.486 4.227 1.00 0.00 C ATOM 563 O THR A 33 10.862 7.990 3.835 1.00 0.00 O ATOM 564 CB THR A 33 7.704 8.837 4.215 1.00 0.00 C ATOM 565 OG1 THR A 33 6.338 8.752 3.833 1.00 0.00 O ATOM 566 CG2 THR A 33 8.261 10.208 3.829 1.00 0.00 C ATOM 0 H THR A 33 6.806 6.610 4.152 1.00 0.00 H new ATOM 0 HA THR A 33 8.741 8.019 2.477 1.00 0.00 H new ATOM 0 HB THR A 33 7.788 8.705 5.294 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.822 8.333 4.554 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.693 10.988 4.337 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.308 10.271 4.124 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.179 10.344 2.751 1.00 0.00 H new ATOM 574 N LYS A 34 9.805 6.662 5.244 1.00 0.00 N ATOM 575 CA LYS A 34 11.071 6.316 5.960 1.00 0.00 C ATOM 576 C LYS A 34 11.918 5.374 5.102 1.00 0.00 C ATOM 577 O LYS A 34 13.133 5.405 5.147 1.00 0.00 O ATOM 578 CB LYS A 34 10.625 5.618 7.246 1.00 0.00 C ATOM 579 CG LYS A 34 11.827 5.453 8.179 1.00 0.00 C ATOM 580 CD LYS A 34 11.369 4.815 9.493 1.00 0.00 C ATOM 581 CE LYS A 34 10.577 5.839 10.310 1.00 0.00 C ATOM 582 NZ LYS A 34 9.457 5.065 10.915 1.00 0.00 N ATOM 0 H LYS A 34 8.965 6.213 5.610 1.00 0.00 H new ATOM 0 HA LYS A 34 11.682 7.194 6.168 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.846 6.201 7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.195 4.644 7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.586 4.830 7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.286 6.422 8.373 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.751 3.941 9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.232 4.469 10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.200 6.298 11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.204 6.645 9.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.868 5.700 11.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.878 4.645 10.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.842 4.309 11.517 1.00 0.00 H new ATOM 596 N PHE A 35 11.284 4.581 4.276 1.00 0.00 N ATOM 597 CA PHE A 35 12.045 3.682 3.356 1.00 0.00 C ATOM 598 C PHE A 35 12.429 4.444 2.082 1.00 0.00 C ATOM 599 O PHE A 35 13.432 4.153 1.458 1.00 0.00 O ATOM 600 CB PHE A 35 11.080 2.538 3.035 1.00 0.00 C ATOM 601 CG PHE A 35 11.749 1.546 2.112 1.00 0.00 C ATOM 602 CD1 PHE A 35 12.883 0.845 2.540 1.00 0.00 C ATOM 603 CD2 PHE A 35 11.236 1.330 0.828 1.00 0.00 C ATOM 604 CE1 PHE A 35 13.503 -0.072 1.682 1.00 0.00 C ATOM 605 CE2 PHE A 35 11.855 0.413 -0.028 1.00 0.00 C ATOM 606 CZ PHE A 35 12.989 -0.289 0.398 1.00 0.00 C ATOM 0 H PHE A 35 10.269 4.517 4.199 1.00 0.00 H new ATOM 0 HA PHE A 35 12.971 3.316 3.799 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.772 2.041 3.955 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.178 2.932 2.568 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.279 1.011 3.531 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.362 1.872 0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 35 14.378 -0.612 2.011 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.458 0.246 -1.018 1.00 0.00 H new ATOM 0 HZ PHE A 35 13.467 -0.997 -0.263 1.00 0.00 H new ATOM 616 N LEU A 36 11.658 5.438 1.716 1.00 0.00 N ATOM 617 CA LEU A 36 11.996 6.252 0.505 1.00 0.00 C ATOM 618 C LEU A 36 13.384 6.883 0.661 1.00 0.00 C ATOM 619 O LEU A 36 14.139 6.983 -0.288 1.00 0.00 O ATOM 620 CB LEU A 36 10.918 7.343 0.437 1.00 0.00 C ATOM 621 CG LEU A 36 9.929 7.026 -0.687 1.00 0.00 C ATOM 622 CD1 LEU A 36 8.792 8.050 -0.667 1.00 0.00 C ATOM 623 CD2 LEU A 36 10.650 7.094 -2.036 1.00 0.00 C ATOM 0 H LEU A 36 10.808 5.722 2.203 1.00 0.00 H new ATOM 0 HA LEU A 36 12.019 5.646 -0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.392 7.407 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.381 8.314 0.263 1.00 0.00 H new ATOM 0 HG LEU A 36 9.522 6.025 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.086 7.826 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.278 8.005 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.200 9.050 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.946 6.868 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.056 8.095 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.462 6.367 -2.052 1.00 0.00 H new ATOM 635 N GLU A 37 13.736 7.272 1.861 1.00 0.00 N ATOM 636 CA GLU A 37 15.091 7.856 2.098 1.00 0.00 C ATOM 637 C GLU A 37 16.062 6.778 2.592 1.00 0.00 C ATOM 638 O GLU A 37 17.077 7.078 3.192 1.00 0.00 O ATOM 639 CB GLU A 37 14.878 8.918 3.179 1.00 0.00 C ATOM 640 CG GLU A 37 13.915 9.992 2.664 1.00 0.00 C ATOM 641 CD GLU A 37 14.709 11.209 2.182 1.00 0.00 C ATOM 642 OE1 GLU A 37 15.548 11.679 2.931 1.00 0.00 O ATOM 643 OE2 GLU A 37 14.464 11.649 1.070 1.00 0.00 O ATOM 0 H GLU A 37 13.142 7.210 2.688 1.00 0.00 H new ATOM 0 HA GLU A 37 15.522 8.274 1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.475 8.457 4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.832 9.371 3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.312 9.593 1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.226 10.286 3.456 1.00 0.00 H new ATOM 650 N GLU A 38 15.784 5.532 2.299 1.00 0.00 N ATOM 651 CA GLU A 38 16.717 4.436 2.701 1.00 0.00 C ATOM 652 C GLU A 38 17.461 3.906 1.473 1.00 0.00 C ATOM 653 O GLU A 38 18.675 3.940 1.410 1.00 0.00 O ATOM 654 CB GLU A 38 15.821 3.350 3.296 1.00 0.00 C ATOM 655 CG GLU A 38 16.532 2.692 4.481 1.00 0.00 C ATOM 656 CD GLU A 38 17.441 1.572 3.972 1.00 0.00 C ATOM 657 OE1 GLU A 38 18.292 1.856 3.145 1.00 0.00 O ATOM 658 OE2 GLU A 38 17.272 0.450 4.419 1.00 0.00 O ATOM 0 H GLU A 38 14.950 5.227 1.798 1.00 0.00 H new ATOM 0 HA GLU A 38 17.472 4.773 3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.875 3.782 3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.586 2.602 2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.119 3.433 5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.799 2.291 5.181 1.00 0.00 H new ATOM 665 N HIS A 39 16.735 3.471 0.474 1.00 0.00 N ATOM 666 CA HIS A 39 17.384 3.000 -0.784 1.00 0.00 C ATOM 667 C HIS A 39 17.030 3.944 -1.944 1.00 0.00 C ATOM 668 O HIS A 39 16.031 3.746 -2.608 1.00 0.00 O ATOM 669 CB HIS A 39 16.808 1.606 -1.030 1.00 0.00 C ATOM 670 CG HIS A 39 17.233 0.684 0.080 1.00 0.00 C ATOM 671 ND1 HIS A 39 16.345 0.225 1.040 1.00 0.00 N ATOM 672 CD2 HIS A 39 18.447 0.128 0.397 1.00 0.00 C ATOM 673 CE1 HIS A 39 17.031 -0.571 1.881 1.00 0.00 C ATOM 674 NE2 HIS A 39 18.318 -0.663 1.534 1.00 0.00 N ATOM 0 H HIS A 39 15.716 3.422 0.477 1.00 0.00 H new ATOM 0 HA HIS A 39 18.471 2.981 -0.708 1.00 0.00 H new ATOM 0 HB2 HIS A 39 15.720 1.654 -1.081 1.00 0.00 H new ATOM 0 HB3 HIS A 39 17.155 1.222 -1.989 1.00 0.00 H new ATOM 0 HD1 HIS A 39 15.352 0.450 1.099 1.00 0.00 H new ATOM 0 HD2 HIS A 39 19.364 0.281 -0.153 1.00 0.00 H new ATOM 0 HE1 HIS A 39 16.595 -1.074 2.732 1.00 0.00 H new ATOM 682 N PRO A 40 17.857 4.950 -2.157 1.00 0.00 N ATOM 683 CA PRO A 40 17.605 5.926 -3.255 1.00 0.00 C ATOM 684 C PRO A 40 17.386 5.209 -4.594 1.00 0.00 C ATOM 685 O PRO A 40 18.320 4.970 -5.338 1.00 0.00 O ATOM 686 CB PRO A 40 18.883 6.760 -3.297 1.00 0.00 C ATOM 687 CG PRO A 40 19.466 6.641 -1.927 1.00 0.00 C ATOM 688 CD PRO A 40 19.087 5.278 -1.412 1.00 0.00 C ATOM 0 HA PRO A 40 16.709 6.523 -3.085 1.00 0.00 H new ATOM 0 HB2 PRO A 40 19.573 6.387 -4.054 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.668 7.799 -3.546 1.00 0.00 H new ATOM 0 HG2 PRO A 40 20.550 6.756 -1.956 1.00 0.00 H new ATOM 0 HG3 PRO A 40 19.080 7.423 -1.273 1.00 0.00 H new ATOM 0 HD2 PRO A 40 19.874 4.547 -1.598 1.00 0.00 H new ATOM 0 HD3 PRO A 40 18.912 5.291 -0.336 1.00 0.00 H new ATOM 696 N GLY A 41 16.155 4.913 -4.922 1.00 0.00 N ATOM 697 CA GLY A 41 15.858 4.265 -6.233 1.00 0.00 C ATOM 698 C GLY A 41 15.356 5.321 -7.218 1.00 0.00 C ATOM 699 O GLY A 41 15.976 5.578 -8.233 1.00 0.00 O ATOM 0 H GLY A 41 15.340 5.093 -4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.754 3.783 -6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 41 15.107 3.485 -6.104 1.00 0.00 H new ATOM 703 N GLY A 42 14.261 5.964 -6.903 1.00 0.00 N ATOM 704 CA GLY A 42 13.738 7.044 -7.791 1.00 0.00 C ATOM 705 C GLY A 42 12.265 7.307 -7.468 1.00 0.00 C ATOM 706 O GLY A 42 11.784 8.418 -7.593 1.00 0.00 O ATOM 0 H GLY A 42 13.705 5.787 -6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.319 7.956 -7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.845 6.753 -8.836 1.00 0.00 H new ATOM 710 N GLU A 43 11.559 6.301 -7.022 1.00 0.00 N ATOM 711 CA GLU A 43 10.124 6.489 -6.651 1.00 0.00 C ATOM 712 C GLU A 43 9.640 5.299 -5.811 1.00 0.00 C ATOM 713 O GLU A 43 10.431 4.594 -5.214 1.00 0.00 O ATOM 714 CB GLU A 43 9.379 6.567 -7.991 1.00 0.00 C ATOM 715 CG GLU A 43 9.580 5.270 -8.781 1.00 0.00 C ATOM 716 CD GLU A 43 9.077 5.460 -10.214 1.00 0.00 C ATOM 717 OE1 GLU A 43 7.905 5.754 -10.374 1.00 0.00 O ATOM 718 OE2 GLU A 43 9.874 5.308 -11.125 1.00 0.00 O ATOM 0 H GLU A 43 11.916 5.353 -6.898 1.00 0.00 H new ATOM 0 HA GLU A 43 9.956 7.382 -6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.316 6.734 -7.816 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.744 7.415 -8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.635 4.996 -8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.042 4.453 -8.301 1.00 0.00 H new ATOM 725 N GLU A 44 8.355 5.047 -5.795 1.00 0.00 N ATOM 726 CA GLU A 44 7.826 3.870 -5.036 1.00 0.00 C ATOM 727 C GLU A 44 8.429 2.571 -5.585 1.00 0.00 C ATOM 728 O GLU A 44 8.003 2.056 -6.602 1.00 0.00 O ATOM 729 CB GLU A 44 6.304 3.898 -5.236 1.00 0.00 C ATOM 730 CG GLU A 44 5.962 3.847 -6.731 1.00 0.00 C ATOM 731 CD GLU A 44 4.797 4.794 -7.027 1.00 0.00 C ATOM 732 OE1 GLU A 44 4.802 5.892 -6.494 1.00 0.00 O ATOM 733 OE2 GLU A 44 3.920 4.406 -7.781 1.00 0.00 O ATOM 0 H GLU A 44 7.648 5.605 -6.274 1.00 0.00 H new ATOM 0 HA GLU A 44 8.086 3.915 -3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.847 3.052 -4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.889 4.802 -4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.833 4.130 -7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.698 2.829 -7.019 1.00 0.00 H new ATOM 740 N VAL A 45 9.402 2.029 -4.899 1.00 0.00 N ATOM 741 CA VAL A 45 10.020 0.744 -5.356 1.00 0.00 C ATOM 742 C VAL A 45 9.324 -0.463 -4.708 1.00 0.00 C ATOM 743 O VAL A 45 9.851 -1.559 -4.712 1.00 0.00 O ATOM 744 CB VAL A 45 11.491 0.815 -4.919 1.00 0.00 C ATOM 745 CG1 VAL A 45 12.176 1.993 -5.617 1.00 0.00 C ATOM 746 CG2 VAL A 45 11.583 0.998 -3.399 1.00 0.00 C ATOM 0 H VAL A 45 9.796 2.419 -4.043 1.00 0.00 H new ATOM 0 HA VAL A 45 9.922 0.617 -6.434 1.00 0.00 H new ATOM 0 HB VAL A 45 11.988 -0.115 -5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.220 2.043 -5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.125 1.856 -6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.672 2.920 -5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.630 1.047 -3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.081 1.922 -3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.103 0.155 -2.901 1.00 0.00 H new ATOM 756 N LEU A 46 8.122 -0.285 -4.214 1.00 0.00 N ATOM 757 CA LEU A 46 7.369 -1.441 -3.641 1.00 0.00 C ATOM 758 C LEU A 46 6.315 -1.929 -4.639 1.00 0.00 C ATOM 759 O LEU A 46 5.128 -1.760 -4.437 1.00 0.00 O ATOM 760 CB LEU A 46 6.705 -0.897 -2.374 1.00 0.00 C ATOM 761 CG LEU A 46 7.701 -0.952 -1.209 1.00 0.00 C ATOM 762 CD1 LEU A 46 8.321 0.432 -1.000 1.00 0.00 C ATOM 763 CD2 LEU A 46 6.973 -1.382 0.066 1.00 0.00 C ATOM 0 H LEU A 46 7.632 0.609 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 46 8.017 -2.290 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.375 0.129 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.818 -1.483 -2.135 1.00 0.00 H new ATOM 0 HG LEU A 46 8.487 -1.671 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.029 0.392 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.841 0.739 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.535 1.152 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.681 -1.421 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.186 -0.664 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.533 -2.368 -0.081 1.00 0.00 H new ATOM 775 N ARG A 47 6.746 -2.562 -5.702 1.00 0.00 N ATOM 776 CA ARG A 47 5.785 -3.109 -6.717 1.00 0.00 C ATOM 777 C ARG A 47 4.825 -2.014 -7.200 1.00 0.00 C ATOM 778 O ARG A 47 3.650 -2.251 -7.390 1.00 0.00 O ATOM 779 CB ARG A 47 5.014 -4.219 -5.996 1.00 0.00 C ATOM 780 CG ARG A 47 4.262 -5.068 -7.023 1.00 0.00 C ATOM 781 CD ARG A 47 3.822 -6.383 -6.377 1.00 0.00 C ATOM 782 NE ARG A 47 2.852 -6.982 -7.343 1.00 0.00 N ATOM 783 CZ ARG A 47 1.650 -6.467 -7.518 1.00 0.00 C ATOM 784 NH1 ARG A 47 1.237 -5.433 -6.823 1.00 0.00 N ATOM 785 NH2 ARG A 47 0.854 -6.998 -8.405 1.00 0.00 N ATOM 0 H ARG A 47 7.730 -2.726 -5.914 1.00 0.00 H new ATOM 0 HA ARG A 47 6.303 -3.484 -7.599 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.702 -4.843 -5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.313 -3.785 -5.283 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.393 -4.524 -7.393 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.902 -5.269 -7.882 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.672 -7.044 -6.210 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.357 -6.210 -5.407 1.00 0.00 H new ATOM 0 HE ARG A 47 3.125 -7.806 -7.878 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.850 -5.008 -6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.303 -5.054 -6.978 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.164 -7.801 -8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.078 -6.610 -8.551 1.00 0.00 H new ATOM 799 N GLU A 48 5.336 -0.829 -7.436 1.00 0.00 N ATOM 800 CA GLU A 48 4.487 0.295 -7.954 1.00 0.00 C ATOM 801 C GLU A 48 3.281 0.544 -7.029 1.00 0.00 C ATOM 802 O GLU A 48 3.356 1.350 -6.120 1.00 0.00 O ATOM 803 CB GLU A 48 4.041 -0.136 -9.359 1.00 0.00 C ATOM 804 CG GLU A 48 5.257 -0.190 -10.286 1.00 0.00 C ATOM 805 CD GLU A 48 4.817 0.100 -11.722 1.00 0.00 C ATOM 806 OE1 GLU A 48 4.257 1.160 -11.947 1.00 0.00 O ATOM 807 OE2 GLU A 48 5.048 -0.743 -12.574 1.00 0.00 O ATOM 0 H GLU A 48 6.317 -0.589 -7.290 1.00 0.00 H new ATOM 0 HA GLU A 48 5.037 1.235 -7.987 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.560 -1.113 -9.316 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.304 0.565 -9.749 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.002 0.539 -9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.727 -1.172 -10.230 1.00 0.00 H new ATOM 814 N GLN A 49 2.187 -0.158 -7.225 1.00 0.00 N ATOM 815 CA GLN A 49 1.006 0.022 -6.328 1.00 0.00 C ATOM 816 C GLN A 49 0.076 -1.189 -6.429 1.00 0.00 C ATOM 817 O GLN A 49 -0.103 -1.926 -5.476 1.00 0.00 O ATOM 818 CB GLN A 49 0.307 1.281 -6.842 1.00 0.00 C ATOM 819 CG GLN A 49 -0.238 2.084 -5.659 1.00 0.00 C ATOM 820 CD GLN A 49 -0.460 3.536 -6.086 1.00 0.00 C ATOM 821 OE1 GLN A 49 -1.415 3.840 -6.772 1.00 0.00 O ATOM 822 NE2 GLN A 49 0.389 4.452 -5.707 1.00 0.00 N ATOM 0 H GLN A 49 2.065 -0.846 -7.968 1.00 0.00 H new ATOM 0 HA GLN A 49 1.293 0.114 -5.280 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.006 1.889 -7.416 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.506 1.009 -7.515 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.175 1.649 -5.311 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.462 2.042 -4.824 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.191 4.197 -5.131 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.250 5.423 -5.987 1.00 0.00 H new ATOM 831 N ALA A 50 -0.486 -1.420 -7.589 1.00 0.00 N ATOM 832 CA ALA A 50 -1.372 -2.608 -7.775 1.00 0.00 C ATOM 833 C ALA A 50 -1.199 -3.180 -9.184 1.00 0.00 C ATOM 834 O ALA A 50 -0.312 -2.788 -9.917 1.00 0.00 O ATOM 835 CB ALA A 50 -2.793 -2.077 -7.582 1.00 0.00 C ATOM 0 H ALA A 50 -0.369 -0.835 -8.417 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.139 -3.411 -7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.506 -2.893 -7.703 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.891 -1.655 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.996 -1.304 -8.323 1.00 0.00 H new ATOM 841 N GLY A 51 -2.067 -4.078 -9.579 1.00 0.00 N ATOM 842 CA GLY A 51 -1.989 -4.649 -10.955 1.00 0.00 C ATOM 843 C GLY A 51 -2.815 -5.935 -11.023 1.00 0.00 C ATOM 844 O GLY A 51 -4.025 -5.898 -11.142 1.00 0.00 O ATOM 0 H GLY A 51 -2.828 -4.440 -9.004 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.361 -3.927 -11.681 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.951 -4.857 -11.215 1.00 0.00 H new ATOM 848 N GLY A 52 -2.171 -7.069 -10.910 1.00 0.00 N ATOM 849 CA GLY A 52 -2.915 -8.363 -10.923 1.00 0.00 C ATOM 850 C GLY A 52 -2.215 -9.365 -10.004 1.00 0.00 C ATOM 851 O GLY A 52 -2.280 -10.562 -10.215 1.00 0.00 O ATOM 0 H GLY A 52 -1.160 -7.154 -10.809 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.942 -8.207 -10.593 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.963 -8.757 -11.938 1.00 0.00 H new ATOM 855 N ASP A 53 -1.579 -8.886 -8.965 1.00 0.00 N ATOM 856 CA ASP A 53 -0.909 -9.807 -7.999 1.00 0.00 C ATOM 857 C ASP A 53 -0.505 -9.044 -6.734 1.00 0.00 C ATOM 858 O ASP A 53 -0.786 -7.869 -6.593 1.00 0.00 O ATOM 859 CB ASP A 53 0.330 -10.321 -8.734 1.00 0.00 C ATOM 860 CG ASP A 53 0.579 -11.781 -8.356 1.00 0.00 C ATOM 861 OD1 ASP A 53 -0.187 -12.625 -8.790 1.00 0.00 O ATOM 862 OD2 ASP A 53 1.534 -12.031 -7.637 1.00 0.00 O ATOM 0 H ASP A 53 -1.495 -7.894 -8.744 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.562 -10.621 -7.684 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.190 -10.232 -9.811 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.198 -9.714 -8.475 1.00 0.00 H new ATOM 867 N ALA A 54 0.188 -9.696 -5.834 1.00 0.00 N ATOM 868 CA ALA A 54 0.656 -9.005 -4.595 1.00 0.00 C ATOM 869 C ALA A 54 1.682 -9.874 -3.862 1.00 0.00 C ATOM 870 O ALA A 54 2.866 -9.600 -3.881 1.00 0.00 O ATOM 871 CB ALA A 54 -0.601 -8.825 -3.744 1.00 0.00 C ATOM 0 H ALA A 54 0.450 -10.679 -5.905 1.00 0.00 H new ATOM 0 HA ALA A 54 1.142 -8.053 -4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.341 -8.323 -2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.327 -8.223 -4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.033 -9.801 -3.522 1.00 0.00 H new ATOM 877 N THR A 55 1.237 -10.946 -3.248 1.00 0.00 N ATOM 878 CA THR A 55 2.179 -11.877 -2.542 1.00 0.00 C ATOM 879 C THR A 55 3.020 -11.114 -1.511 1.00 0.00 C ATOM 880 O THR A 55 2.955 -9.903 -1.419 1.00 0.00 O ATOM 881 CB THR A 55 3.075 -12.471 -3.637 1.00 0.00 C ATOM 882 OG1 THR A 55 2.301 -12.716 -4.804 1.00 0.00 O ATOM 883 CG2 THR A 55 3.686 -13.784 -3.145 1.00 0.00 C ATOM 0 H THR A 55 0.255 -11.218 -3.205 1.00 0.00 H new ATOM 0 HA THR A 55 1.642 -12.654 -1.998 1.00 0.00 H new ATOM 0 HB THR A 55 3.873 -11.766 -3.872 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.523 -12.052 -5.489 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.322 -14.204 -3.924 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.282 -13.596 -2.252 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.890 -14.489 -2.907 1.00 0.00 H new ATOM 891 N GLU A 56 3.830 -11.815 -0.758 1.00 0.00 N ATOM 892 CA GLU A 56 4.706 -11.137 0.244 1.00 0.00 C ATOM 893 C GLU A 56 6.021 -10.704 -0.410 1.00 0.00 C ATOM 894 O GLU A 56 6.499 -9.605 -0.195 1.00 0.00 O ATOM 895 CB GLU A 56 4.965 -12.190 1.322 1.00 0.00 C ATOM 896 CG GLU A 56 5.005 -11.517 2.695 1.00 0.00 C ATOM 897 CD GLU A 56 4.438 -12.470 3.748 1.00 0.00 C ATOM 898 OE1 GLU A 56 4.970 -13.561 3.879 1.00 0.00 O ATOM 899 OE2 GLU A 56 3.482 -12.094 4.406 1.00 0.00 O ATOM 0 H GLU A 56 3.922 -12.830 -0.795 1.00 0.00 H new ATOM 0 HA GLU A 56 4.245 -10.239 0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.182 -12.948 1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.909 -12.700 1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.030 -11.246 2.949 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.426 -10.594 2.676 1.00 0.00 H new ATOM 906 N ASN A 57 6.585 -11.545 -1.240 1.00 0.00 N ATOM 907 CA ASN A 57 7.846 -11.174 -1.950 1.00 0.00 C ATOM 908 C ASN A 57 7.526 -10.320 -3.180 1.00 0.00 C ATOM 909 O ASN A 57 7.495 -10.808 -4.293 1.00 0.00 O ATOM 910 CB ASN A 57 8.470 -12.505 -2.370 1.00 0.00 C ATOM 911 CG ASN A 57 9.086 -13.189 -1.147 1.00 0.00 C ATOM 912 OD1 ASN A 57 10.144 -12.803 -0.690 1.00 0.00 O ATOM 913 ND2 ASN A 57 8.464 -14.194 -0.594 1.00 0.00 N ATOM 0 H ASN A 57 6.225 -12.475 -1.457 1.00 0.00 H new ATOM 0 HA ASN A 57 8.518 -10.589 -1.322 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.713 -13.149 -2.817 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.234 -12.337 -3.129 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.866 -14.656 0.222 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.576 -14.518 -0.978 1.00 0.00 H new ATOM 920 N PHE A 58 7.327 -9.040 -2.987 1.00 0.00 N ATOM 921 CA PHE A 58 7.052 -8.135 -4.145 1.00 0.00 C ATOM 922 C PHE A 58 8.262 -7.236 -4.416 1.00 0.00 C ATOM 923 O PHE A 58 8.514 -6.845 -5.540 1.00 0.00 O ATOM 924 CB PHE A 58 5.833 -7.302 -3.726 1.00 0.00 C ATOM 925 CG PHE A 58 6.135 -6.535 -2.457 1.00 0.00 C ATOM 926 CD1 PHE A 58 6.846 -5.331 -2.518 1.00 0.00 C ATOM 927 CD2 PHE A 58 5.705 -7.031 -1.220 1.00 0.00 C ATOM 928 CE1 PHE A 58 7.127 -4.622 -1.345 1.00 0.00 C ATOM 929 CE2 PHE A 58 5.984 -6.322 -0.046 1.00 0.00 C ATOM 930 CZ PHE A 58 6.696 -5.117 -0.108 1.00 0.00 C ATOM 0 H PHE A 58 7.343 -8.582 -2.076 1.00 0.00 H new ATOM 0 HA PHE A 58 6.862 -8.689 -5.064 1.00 0.00 H new ATOM 0 HB2 PHE A 58 5.566 -6.609 -4.524 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.974 -7.954 -3.569 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.178 -4.949 -3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.158 -7.961 -1.172 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.676 -3.693 -1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.650 -6.704 0.908 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.912 -4.570 0.798 1.00 0.00 H new ATOM 940 N GLU A 59 9.030 -6.938 -3.398 1.00 0.00 N ATOM 941 CA GLU A 59 10.251 -6.101 -3.595 1.00 0.00 C ATOM 942 C GLU A 59 11.407 -6.964 -4.108 1.00 0.00 C ATOM 943 O GLU A 59 11.977 -7.752 -3.376 1.00 0.00 O ATOM 944 CB GLU A 59 10.575 -5.541 -2.209 1.00 0.00 C ATOM 945 CG GLU A 59 11.740 -4.555 -2.316 1.00 0.00 C ATOM 946 CD GLU A 59 12.082 -4.015 -0.925 1.00 0.00 C ATOM 947 OE1 GLU A 59 11.164 -3.647 -0.212 1.00 0.00 O ATOM 948 OE2 GLU A 59 13.257 -3.980 -0.598 1.00 0.00 O ATOM 0 H GLU A 59 8.863 -7.239 -2.438 1.00 0.00 H new ATOM 0 HA GLU A 59 10.095 -5.310 -4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.700 -5.042 -1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.833 -6.352 -1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.609 -5.049 -2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.475 -3.733 -2.982 1.00 0.00 H new ATOM 955 N ASP A 60 11.779 -6.792 -5.351 1.00 0.00 N ATOM 956 CA ASP A 60 12.927 -7.567 -5.910 1.00 0.00 C ATOM 957 C ASP A 60 14.108 -6.635 -6.192 1.00 0.00 C ATOM 958 O ASP A 60 14.801 -6.780 -7.181 1.00 0.00 O ATOM 959 CB ASP A 60 12.399 -8.172 -7.211 1.00 0.00 C ATOM 960 CG ASP A 60 13.055 -9.535 -7.443 1.00 0.00 C ATOM 961 OD1 ASP A 60 12.523 -10.518 -6.954 1.00 0.00 O ATOM 962 OD2 ASP A 60 14.078 -9.572 -8.107 1.00 0.00 O ATOM 0 H ASP A 60 11.336 -6.146 -6.004 1.00 0.00 H new ATOM 0 HA ASP A 60 13.284 -8.331 -5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.316 -8.282 -7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.613 -7.506 -8.047 1.00 0.00 H new ATOM 967 N VAL A 61 14.363 -5.705 -5.307 1.00 0.00 N ATOM 968 CA VAL A 61 15.528 -4.785 -5.494 1.00 0.00 C ATOM 969 C VAL A 61 16.836 -5.583 -5.522 1.00 0.00 C ATOM 970 O VAL A 61 16.830 -6.795 -5.640 1.00 0.00 O ATOM 971 CB VAL A 61 15.497 -3.833 -4.290 1.00 0.00 C ATOM 972 CG1 VAL A 61 14.185 -3.045 -4.300 1.00 0.00 C ATOM 973 CG2 VAL A 61 15.602 -4.633 -2.985 1.00 0.00 C ATOM 0 H VAL A 61 13.815 -5.542 -4.462 1.00 0.00 H new ATOM 0 HA VAL A 61 15.470 -4.240 -6.436 1.00 0.00 H new ATOM 0 HB VAL A 61 16.340 -3.145 -4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.161 -2.368 -3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.114 -2.468 -5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.345 -3.737 -4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.579 -3.949 -2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.764 -5.327 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.538 -5.192 -2.975 1.00 0.00 H new ATOM 983 N GLY A 62 17.952 -4.914 -5.378 1.00 0.00 N ATOM 984 CA GLY A 62 19.263 -5.629 -5.353 1.00 0.00 C ATOM 985 C GLY A 62 19.313 -6.567 -4.146 1.00 0.00 C ATOM 986 O GLY A 62 19.714 -7.710 -4.255 1.00 0.00 O ATOM 0 H GLY A 62 18.011 -3.901 -5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.396 -6.197 -6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.080 -4.909 -5.301 1.00 0.00 H new ATOM 990 N HIS A 63 18.870 -6.101 -3.006 1.00 0.00 N ATOM 991 CA HIS A 63 18.845 -6.973 -1.793 1.00 0.00 C ATOM 992 C HIS A 63 17.612 -7.880 -1.818 1.00 0.00 C ATOM 993 O HIS A 63 16.498 -7.430 -1.628 1.00 0.00 O ATOM 994 CB HIS A 63 18.776 -6.006 -0.610 1.00 0.00 C ATOM 995 CG HIS A 63 20.122 -5.369 -0.402 1.00 0.00 C ATOM 996 ND1 HIS A 63 20.999 -5.135 -1.449 1.00 0.00 N ATOM 997 CD2 HIS A 63 20.757 -4.914 0.727 1.00 0.00 C ATOM 998 CE1 HIS A 63 22.102 -4.561 -0.935 1.00 0.00 C ATOM 999 NE2 HIS A 63 22.008 -4.404 0.388 1.00 0.00 N ATOM 0 H HIS A 63 18.524 -5.152 -2.863 1.00 0.00 H new ATOM 0 HA HIS A 63 19.717 -7.625 -1.736 1.00 0.00 H new ATOM 0 HB2 HIS A 63 18.024 -5.239 -0.797 1.00 0.00 H new ATOM 0 HB3 HIS A 63 18.471 -6.538 0.291 1.00 0.00 H new ATOM 0 HD2 HIS A 63 20.349 -4.947 1.726 1.00 0.00 H new ATOM 0 HE1 HIS A 63 22.959 -4.263 -1.521 1.00 0.00 H new ATOM 0 HE2 HIS A 63 22.703 -3.998 1.015 1.00 0.00 H new ATOM 1007 N SER A 64 17.811 -9.158 -2.015 1.00 0.00 N ATOM 1008 CA SER A 64 16.661 -10.112 -2.011 1.00 0.00 C ATOM 1009 C SER A 64 16.322 -10.525 -0.577 1.00 0.00 C ATOM 1010 O SER A 64 15.181 -10.801 -0.255 1.00 0.00 O ATOM 1011 CB SER A 64 17.143 -11.316 -2.817 1.00 0.00 C ATOM 1012 OG SER A 64 17.831 -10.862 -3.975 1.00 0.00 O ATOM 0 H SER A 64 18.723 -9.583 -2.179 1.00 0.00 H new ATOM 0 HA SER A 64 15.758 -9.673 -2.436 1.00 0.00 H new ATOM 0 HB2 SER A 64 17.802 -11.935 -2.208 1.00 0.00 H new ATOM 0 HB3 SER A 64 16.296 -11.939 -3.104 1.00 0.00 H new ATOM 0 HG SER A 64 18.143 -11.633 -4.493 1.00 0.00 H new ATOM 1018 N THR A 65 17.299 -10.532 0.294 1.00 0.00 N ATOM 1019 CA THR A 65 17.035 -10.883 1.723 1.00 0.00 C ATOM 1020 C THR A 65 17.810 -9.943 2.652 1.00 0.00 C ATOM 1021 O THR A 65 19.013 -9.799 2.541 1.00 0.00 O ATOM 1022 CB THR A 65 17.525 -12.329 1.880 1.00 0.00 C ATOM 1023 OG1 THR A 65 17.338 -12.744 3.226 1.00 0.00 O ATOM 1024 CG2 THR A 65 19.011 -12.425 1.519 1.00 0.00 C ATOM 0 H THR A 65 18.270 -10.309 0.077 1.00 0.00 H new ATOM 0 HA THR A 65 15.981 -10.784 1.983 1.00 0.00 H new ATOM 0 HB THR A 65 16.955 -12.974 1.211 1.00 0.00 H new ATOM 0 HG1 THR A 65 17.648 -13.668 3.330 1.00 0.00 H new ATOM 0 HG21 THR A 65 19.348 -13.455 1.634 1.00 0.00 H new ATOM 0 HG22 THR A 65 19.156 -12.109 0.486 1.00 0.00 H new ATOM 0 HG23 THR A 65 19.588 -11.779 2.180 1.00 0.00 H new ATOM 1032 N ASP A 66 17.131 -9.333 3.591 1.00 0.00 N ATOM 1033 CA ASP A 66 17.825 -8.436 4.562 1.00 0.00 C ATOM 1034 C ASP A 66 16.923 -8.167 5.771 1.00 0.00 C ATOM 1035 O ASP A 66 17.254 -8.510 6.890 1.00 0.00 O ATOM 1036 CB ASP A 66 18.085 -7.142 3.789 1.00 0.00 C ATOM 1037 CG ASP A 66 19.495 -7.176 3.196 1.00 0.00 C ATOM 1038 OD1 ASP A 66 20.434 -6.940 3.938 1.00 0.00 O ATOM 1039 OD2 ASP A 66 19.612 -7.439 2.010 1.00 0.00 O ATOM 0 H ASP A 66 16.124 -9.419 3.726 1.00 0.00 H new ATOM 0 HA ASP A 66 18.747 -8.875 4.944 1.00 0.00 H new ATOM 0 HB2 ASP A 66 17.348 -7.026 2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.978 -6.283 4.451 1.00 0.00 H new ATOM 1044 N ALA A 67 15.771 -7.589 5.543 1.00 0.00 N ATOM 1045 CA ALA A 67 14.820 -7.334 6.666 1.00 0.00 C ATOM 1046 C ALA A 67 13.890 -8.536 6.856 1.00 0.00 C ATOM 1047 O ALA A 67 14.174 -9.628 6.399 1.00 0.00 O ATOM 1048 CB ALA A 67 14.023 -6.101 6.240 1.00 0.00 C ATOM 0 H ALA A 67 15.448 -7.282 4.625 1.00 0.00 H new ATOM 0 HA ALA A 67 15.334 -7.178 7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 67 13.300 -5.849 7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 67 14.703 -5.262 6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 67 13.497 -6.312 5.309 1.00 0.00 H new ATOM 1054 N ARG A 68 12.763 -8.330 7.490 1.00 0.00 N ATOM 1055 CA ARG A 68 11.787 -9.445 7.674 1.00 0.00 C ATOM 1056 C ARG A 68 10.360 -8.893 7.734 1.00 0.00 C ATOM 1057 O ARG A 68 9.493 -9.310 6.988 1.00 0.00 O ATOM 1058 CB ARG A 68 12.169 -10.091 9.006 1.00 0.00 C ATOM 1059 CG ARG A 68 11.817 -11.579 8.972 1.00 0.00 C ATOM 1060 CD ARG A 68 12.841 -12.366 9.794 1.00 0.00 C ATOM 1061 NE ARG A 68 12.715 -13.777 9.318 1.00 0.00 N ATOM 1062 CZ ARG A 68 13.140 -14.139 8.123 1.00 0.00 C ATOM 1063 NH1 ARG A 68 13.731 -13.288 7.315 1.00 0.00 N ATOM 1064 NH2 ARG A 68 12.971 -15.374 7.734 1.00 0.00 N ATOM 0 H ARG A 68 12.477 -7.436 7.889 1.00 0.00 H new ATOM 0 HA ARG A 68 11.817 -10.160 6.852 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.235 -9.963 9.192 1.00 0.00 H new ATOM 0 HB3 ARG A 68 11.642 -9.601 9.824 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.816 -11.736 9.373 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.808 -11.938 7.943 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.850 -11.985 9.637 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.634 -12.289 10.861 1.00 0.00 H new ATOM 0 HE ARG A 68 12.292 -14.475 9.930 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.871 -12.321 7.607 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.050 -13.595 6.396 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.515 -16.045 8.352 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.295 -15.667 6.812 1.00 0.00 H new ATOM 1078 N GLU A 69 10.123 -7.933 8.591 1.00 0.00 N ATOM 1079 CA GLU A 69 8.764 -7.315 8.677 1.00 0.00 C ATOM 1080 C GLU A 69 8.833 -5.827 8.319 1.00 0.00 C ATOM 1081 O GLU A 69 8.352 -4.982 9.052 1.00 0.00 O ATOM 1082 CB GLU A 69 8.322 -7.505 10.133 1.00 0.00 C ATOM 1083 CG GLU A 69 9.339 -6.857 11.083 1.00 0.00 C ATOM 1084 CD GLU A 69 8.606 -6.251 12.282 1.00 0.00 C ATOM 1085 OE1 GLU A 69 7.627 -6.838 12.711 1.00 0.00 O ATOM 1086 OE2 GLU A 69 9.037 -5.210 12.749 1.00 0.00 O ATOM 0 H GLU A 69 10.813 -7.549 9.237 1.00 0.00 H new ATOM 0 HA GLU A 69 8.061 -7.774 7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.338 -7.061 10.283 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.229 -8.568 10.357 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.060 -7.601 11.422 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.901 -6.084 10.559 1.00 0.00 H new ATOM 1093 N LEU A 70 9.393 -5.508 7.180 1.00 0.00 N ATOM 1094 CA LEU A 70 9.456 -4.081 6.744 1.00 0.00 C ATOM 1095 C LEU A 70 8.130 -3.663 6.103 1.00 0.00 C ATOM 1096 O LEU A 70 7.732 -2.516 6.174 1.00 0.00 O ATOM 1097 CB LEU A 70 10.587 -4.030 5.716 1.00 0.00 C ATOM 1098 CG LEU A 70 11.341 -2.705 5.851 1.00 0.00 C ATOM 1099 CD1 LEU A 70 12.537 -2.891 6.787 1.00 0.00 C ATOM 1100 CD2 LEU A 70 11.837 -2.259 4.474 1.00 0.00 C ATOM 0 H LEU A 70 9.810 -6.176 6.532 1.00 0.00 H new ATOM 0 HA LEU A 70 9.632 -3.403 7.579 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.269 -4.866 5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.182 -4.129 4.709 1.00 0.00 H new ATOM 0 HG LEU A 70 10.673 -1.947 6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.074 -1.947 6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.185 -3.210 7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.205 -3.649 6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.374 -1.315 4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.505 -3.017 4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.986 -2.126 3.806 1.00 0.00 H new ATOM 1112 N SER A 71 7.428 -4.597 5.511 1.00 0.00 N ATOM 1113 CA SER A 71 6.104 -4.273 4.901 1.00 0.00 C ATOM 1114 C SER A 71 5.001 -4.271 5.969 1.00 0.00 C ATOM 1115 O SER A 71 3.961 -3.668 5.789 1.00 0.00 O ATOM 1116 CB SER A 71 5.853 -5.380 3.876 1.00 0.00 C ATOM 1117 OG SER A 71 6.239 -6.631 4.433 1.00 0.00 O ATOM 0 H SER A 71 7.716 -5.572 5.424 1.00 0.00 H new ATOM 0 HA SER A 71 6.100 -3.283 4.444 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.799 -5.402 3.598 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.419 -5.184 2.965 1.00 0.00 H new ATOM 0 HG SER A 71 6.078 -7.344 3.780 1.00 0.00 H new ATOM 1123 N LYS A 72 5.225 -4.929 7.079 1.00 0.00 N ATOM 1124 CA LYS A 72 4.194 -4.953 8.162 1.00 0.00 C ATOM 1125 C LYS A 72 4.361 -3.755 9.107 1.00 0.00 C ATOM 1126 O LYS A 72 3.440 -3.384 9.810 1.00 0.00 O ATOM 1127 CB LYS A 72 4.442 -6.263 8.911 1.00 0.00 C ATOM 1128 CG LYS A 72 3.695 -7.400 8.214 1.00 0.00 C ATOM 1129 CD LYS A 72 3.451 -8.537 9.209 1.00 0.00 C ATOM 1130 CE LYS A 72 3.193 -9.838 8.445 1.00 0.00 C ATOM 1131 NZ LYS A 72 1.769 -9.757 8.018 1.00 0.00 N ATOM 0 H LYS A 72 6.078 -5.451 7.282 1.00 0.00 H new ATOM 0 HA LYS A 72 3.183 -4.890 7.761 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.510 -6.480 8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.106 -6.173 9.944 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.746 -7.038 7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.274 -7.763 7.365 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.314 -8.653 9.864 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.598 -8.301 9.845 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.858 -9.930 7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.367 -10.708 9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.257 -10.598 8.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.334 -8.903 8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.720 -9.714 6.980 1.00 0.00 H new ATOM 1145 N THR A 73 5.524 -3.151 9.131 1.00 0.00 N ATOM 1146 CA THR A 73 5.746 -1.980 10.034 1.00 0.00 C ATOM 1147 C THR A 73 5.617 -0.661 9.261 1.00 0.00 C ATOM 1148 O THR A 73 5.322 0.372 9.834 1.00 0.00 O ATOM 1149 CB THR A 73 7.171 -2.152 10.561 1.00 0.00 C ATOM 1150 OG1 THR A 73 8.023 -2.553 9.497 1.00 0.00 O ATOM 1151 CG2 THR A 73 7.186 -3.218 11.658 1.00 0.00 C ATOM 0 H THR A 73 6.329 -3.419 8.564 1.00 0.00 H new ATOM 0 HA THR A 73 5.010 -1.942 10.837 1.00 0.00 H new ATOM 0 HB THR A 73 7.523 -1.206 10.972 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.344 -3.464 9.661 1.00 0.00 H new ATOM 0 HG21 THR A 73 8.202 -3.340 12.033 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.533 -2.909 12.474 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.834 -4.165 11.250 1.00 0.00 H new ATOM 1159 N TYR A 74 5.827 -0.688 7.969 1.00 0.00 N ATOM 1160 CA TYR A 74 5.709 0.564 7.159 1.00 0.00 C ATOM 1161 C TYR A 74 4.289 0.711 6.603 1.00 0.00 C ATOM 1162 O TYR A 74 4.102 1.068 5.453 1.00 0.00 O ATOM 1163 CB TYR A 74 6.714 0.393 6.019 1.00 0.00 C ATOM 1164 CG TYR A 74 8.109 0.663 6.530 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.690 -0.198 7.468 1.00 0.00 C ATOM 1166 CD2 TYR A 74 8.822 1.774 6.064 1.00 0.00 C ATOM 1167 CE1 TYR A 74 9.984 0.053 7.941 1.00 0.00 C ATOM 1168 CE2 TYR A 74 10.116 2.025 6.537 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.697 1.164 7.475 1.00 0.00 C ATOM 1170 OH TYR A 74 11.972 1.411 7.941 1.00 0.00 O ATOM 0 H TYR A 74 6.075 -1.523 7.439 1.00 0.00 H new ATOM 0 HA TYR A 74 5.909 1.456 7.752 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.653 -0.618 5.615 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.475 1.077 5.204 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.141 -1.056 7.827 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.374 2.438 5.339 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.432 -0.611 8.666 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.665 2.883 6.178 1.00 0.00 H new ATOM 0 HH TYR A 74 12.325 2.220 7.515 1.00 0.00 H new ATOM 1180 N ILE A 75 3.290 0.476 7.416 1.00 0.00 N ATOM 1181 CA ILE A 75 1.880 0.642 6.943 1.00 0.00 C ATOM 1182 C ILE A 75 1.167 1.710 7.781 1.00 0.00 C ATOM 1183 O ILE A 75 1.628 2.083 8.843 1.00 0.00 O ATOM 1184 CB ILE A 75 1.209 -0.726 7.128 1.00 0.00 C ATOM 1185 CG1 ILE A 75 2.046 -1.827 6.462 1.00 0.00 C ATOM 1186 CG2 ILE A 75 -0.173 -0.699 6.475 1.00 0.00 C ATOM 1187 CD1 ILE A 75 1.451 -3.195 6.796 1.00 0.00 C ATOM 0 H ILE A 75 3.389 0.177 8.386 1.00 0.00 H new ATOM 0 HA ILE A 75 1.838 0.965 5.903 1.00 0.00 H new ATOM 0 HB ILE A 75 1.124 -0.934 8.195 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.064 -1.681 5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.078 -1.773 6.809 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.655 -1.668 6.603 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.782 0.074 6.944 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.069 -0.483 5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.046 -3.976 6.323 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.456 -3.340 7.876 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.426 -3.246 6.428 1.00 0.00 H new ATOM 1199 N ILE A 76 0.050 2.206 7.307 1.00 0.00 N ATOM 1200 CA ILE A 76 -0.695 3.256 8.073 1.00 0.00 C ATOM 1201 C ILE A 76 -2.158 2.852 8.289 1.00 0.00 C ATOM 1202 O ILE A 76 -2.731 3.118 9.329 1.00 0.00 O ATOM 1203 CB ILE A 76 -0.604 4.526 7.215 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.143 4.251 5.801 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.857 4.967 7.132 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -1.111 5.536 4.970 1.00 0.00 C ATOM 0 H ILE A 76 -0.378 1.930 6.423 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.270 3.403 9.066 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.204 5.314 7.671 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.543 3.480 5.317 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.163 3.871 5.859 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.931 5.869 6.524 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.232 5.173 8.134 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.451 4.174 6.678 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.494 5.332 3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.731 6.294 5.449 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.085 5.898 4.899 1.00 0.00 H new ATOM 1218 N GLY A 77 -2.763 2.204 7.324 1.00 0.00 N ATOM 1219 CA GLY A 77 -4.184 1.774 7.485 1.00 0.00 C ATOM 1220 C GLY A 77 -4.590 0.887 6.309 1.00 0.00 C ATOM 1221 O GLY A 77 -3.771 0.192 5.736 1.00 0.00 O ATOM 0 H GLY A 77 -2.333 1.955 6.433 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.306 1.230 8.422 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.835 2.647 7.536 1.00 0.00 H new ATOM 1225 N GLU A 78 -5.842 0.928 5.927 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.298 0.111 4.764 1.00 0.00 C ATOM 1227 C GLU A 78 -7.152 0.954 3.815 1.00 0.00 C ATOM 1228 O GLU A 78 -7.341 2.139 4.020 1.00 0.00 O ATOM 1229 CB GLU A 78 -7.132 -1.017 5.368 1.00 0.00 C ATOM 1230 CG GLU A 78 -6.204 -2.106 5.910 1.00 0.00 C ATOM 1231 CD GLU A 78 -7.039 -3.299 6.383 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -7.793 -3.825 5.581 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -6.910 -3.666 7.540 1.00 0.00 O ATOM 0 H GLU A 78 -6.567 1.492 6.371 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.458 -0.267 4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.761 -0.629 6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.798 -1.435 4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.505 -2.422 5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.609 -1.714 6.735 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.706 0.336 2.802 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.595 1.078 1.857 1.00 0.00 C ATOM 1242 C LEU A 79 -10.065 0.805 2.188 1.00 0.00 C ATOM 1243 O LEU A 79 -10.420 -0.272 2.631 1.00 0.00 O ATOM 1244 CB LEU A 79 -8.249 0.527 0.472 1.00 0.00 C ATOM 1245 CG LEU A 79 -9.013 1.312 -0.603 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -8.081 2.338 -1.253 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -9.532 0.348 -1.674 1.00 0.00 C ATOM 0 H LEU A 79 -7.580 -0.653 2.588 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.450 2.157 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.176 0.603 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.507 -0.531 0.416 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.854 1.828 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.627 2.893 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.714 3.029 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.237 1.823 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.074 0.908 -2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.691 -0.171 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.201 -0.380 -1.215 1.00 0.00 H new ATOM 1259 N HIS A 80 -10.929 1.752 1.918 1.00 0.00 N ATOM 1260 CA HIS A 80 -12.388 1.532 2.153 1.00 0.00 C ATOM 1261 C HIS A 80 -12.950 0.555 1.100 1.00 0.00 C ATOM 1262 O HIS A 80 -12.741 0.752 -0.080 1.00 0.00 O ATOM 1263 CB HIS A 80 -13.031 2.912 1.995 1.00 0.00 C ATOM 1264 CG HIS A 80 -14.279 2.984 2.832 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -15.427 2.279 2.507 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -14.575 3.674 3.981 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -16.352 2.558 3.443 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -15.885 3.404 4.366 1.00 0.00 N ATOM 0 H HIS A 80 -10.686 2.669 1.544 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.588 1.100 3.134 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.330 3.689 2.301 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.272 3.095 0.948 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -13.895 4.327 4.507 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.351 2.148 3.448 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.381 3.772 5.177 1.00 0.00 H new ATOM 1276 N PRO A 81 -13.647 -0.474 1.550 1.00 0.00 N ATOM 1277 CA PRO A 81 -14.227 -1.471 0.603 1.00 0.00 C ATOM 1278 C PRO A 81 -15.104 -0.791 -0.461 1.00 0.00 C ATOM 1279 O PRO A 81 -15.362 -1.353 -1.509 1.00 0.00 O ATOM 1280 CB PRO A 81 -15.082 -2.364 1.500 1.00 0.00 C ATOM 1281 CG PRO A 81 -14.484 -2.223 2.860 1.00 0.00 C ATOM 1282 CD PRO A 81 -13.957 -0.818 2.949 1.00 0.00 C ATOM 0 HA PRO A 81 -13.459 -2.016 0.054 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -16.126 -2.049 1.492 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.059 -3.400 1.163 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.230 -2.408 3.633 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.684 -2.948 3.009 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.696 -0.139 3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.071 -0.762 3.581 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.580 0.402 -0.192 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.463 1.116 -1.177 1.00 0.00 C ATOM 1292 C ASP A 82 -15.845 1.125 -2.583 1.00 0.00 C ATOM 1293 O ASP A 82 -16.499 0.794 -3.555 1.00 0.00 O ATOM 1294 CB ASP A 82 -16.583 2.544 -0.641 1.00 0.00 C ATOM 1295 CG ASP A 82 -17.565 3.334 -1.508 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -18.639 2.818 -1.772 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -17.228 4.442 -1.892 1.00 0.00 O ATOM 0 H ASP A 82 -15.396 0.916 0.670 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.431 0.623 -1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.926 2.528 0.393 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.607 3.029 -0.645 1.00 0.00 H new ATOM 1302 N ASP A 83 -14.589 1.481 -2.693 1.00 0.00 N ATOM 1303 CA ASP A 83 -13.925 1.489 -4.032 1.00 0.00 C ATOM 1304 C ASP A 83 -13.194 0.165 -4.274 1.00 0.00 C ATOM 1305 O ASP A 83 -13.042 -0.270 -5.400 1.00 0.00 O ATOM 1306 CB ASP A 83 -12.932 2.648 -3.974 1.00 0.00 C ATOM 1307 CG ASP A 83 -13.635 3.943 -4.384 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -14.304 3.934 -5.404 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -13.491 4.923 -3.672 1.00 0.00 O ATOM 0 H ASP A 83 -13.996 1.766 -1.914 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.641 1.605 -4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.528 2.744 -2.966 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.090 2.453 -4.638 1.00 0.00 H new ATOM 1314 N ARG A 84 -12.776 -0.496 -3.224 1.00 0.00 N ATOM 1315 CA ARG A 84 -12.093 -1.817 -3.389 1.00 0.00 C ATOM 1316 C ARG A 84 -13.045 -2.822 -4.048 1.00 0.00 C ATOM 1317 O ARG A 84 -14.015 -2.445 -4.677 1.00 0.00 O ATOM 1318 CB ARG A 84 -11.733 -2.267 -1.969 1.00 0.00 C ATOM 1319 CG ARG A 84 -10.319 -2.854 -1.958 1.00 0.00 C ATOM 1320 CD ARG A 84 -9.947 -3.265 -0.533 1.00 0.00 C ATOM 1321 NE ARG A 84 -10.474 -4.656 -0.383 1.00 0.00 N ATOM 1322 CZ ARG A 84 -9.891 -5.680 -0.974 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -8.796 -5.533 -1.684 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -10.413 -6.870 -0.849 1.00 0.00 N ATOM 0 H ARG A 84 -12.878 -0.179 -2.260 1.00 0.00 H new ATOM 0 HA ARG A 84 -11.210 -1.748 -4.025 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -11.792 -1.422 -1.283 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -12.449 -3.011 -1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.267 -3.717 -2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.606 -2.120 -2.334 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.868 -3.233 -0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.392 -2.593 0.201 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.303 -4.816 0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.376 -4.609 -1.789 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.365 -6.343 -2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.262 -6.999 -0.299 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.972 -7.671 -1.301 1.00 0.00 H new ATOM 1338 N SER A 85 -12.795 -4.095 -3.871 1.00 0.00 N ATOM 1339 CA SER A 85 -13.710 -5.130 -4.447 1.00 0.00 C ATOM 1340 C SER A 85 -15.111 -4.986 -3.847 1.00 0.00 C ATOM 1341 O SER A 85 -15.447 -5.635 -2.873 1.00 0.00 O ATOM 1342 CB SER A 85 -13.096 -6.474 -4.057 1.00 0.00 C ATOM 1343 OG SER A 85 -11.840 -6.623 -4.704 1.00 0.00 O ATOM 0 H SER A 85 -11.997 -4.463 -3.353 1.00 0.00 H new ATOM 0 HA SER A 85 -13.813 -5.032 -5.528 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.970 -6.529 -2.976 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.763 -7.288 -4.342 1.00 0.00 H new ATOM 0 HG SER A 85 -11.443 -7.484 -4.454 1.00 0.00 H new ATOM 1349 N LYS A 86 -15.941 -4.170 -4.446 1.00 0.00 N ATOM 1350 CA LYS A 86 -17.337 -4.009 -3.943 1.00 0.00 C ATOM 1351 C LYS A 86 -18.184 -3.249 -4.968 1.00 0.00 C ATOM 1352 O LYS A 86 -18.917 -2.338 -4.627 1.00 0.00 O ATOM 1353 CB LYS A 86 -17.203 -3.198 -2.652 1.00 0.00 C ATOM 1354 CG LYS A 86 -18.192 -3.724 -1.609 1.00 0.00 C ATOM 1355 CD LYS A 86 -19.480 -2.900 -1.663 1.00 0.00 C ATOM 1356 CE LYS A 86 -19.186 -1.463 -1.226 1.00 0.00 C ATOM 1357 NZ LYS A 86 -20.372 -1.056 -0.421 1.00 0.00 N ATOM 0 H LYS A 86 -15.710 -3.607 -5.265 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.827 -4.968 -3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.185 -3.269 -2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.396 -2.144 -2.851 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -18.412 -4.775 -1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.752 -3.665 -0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.887 -2.908 -2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.235 -3.342 -1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -18.271 -1.409 -0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -19.049 -0.808 -2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -20.245 -0.080 -0.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -21.227 -1.111 -1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -20.473 -1.693 0.395 1.00 0.00 H new ATOM 1371 N ILE A 87 -18.113 -3.640 -6.215 1.00 0.00 N ATOM 1372 CA ILE A 87 -18.940 -2.972 -7.265 1.00 0.00 C ATOM 1373 C ILE A 87 -20.019 -3.933 -7.773 1.00 0.00 C ATOM 1374 O ILE A 87 -21.102 -3.521 -8.148 1.00 0.00 O ATOM 1375 CB ILE A 87 -17.956 -2.620 -8.388 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -16.846 -1.701 -7.846 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -18.699 -1.911 -9.525 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -17.447 -0.405 -7.286 1.00 0.00 C ATOM 0 H ILE A 87 -17.516 -4.395 -6.552 1.00 0.00 H new ATOM 0 HA ILE A 87 -19.453 -2.088 -6.887 1.00 0.00 H new ATOM 0 HB ILE A 87 -17.507 -3.539 -8.766 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -16.288 -2.217 -7.065 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -16.139 -1.467 -8.642 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -17.996 -1.663 -10.320 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -19.475 -2.568 -9.918 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -19.156 -0.997 -9.147 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -16.648 0.233 -6.907 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -17.985 0.118 -8.077 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -18.136 -0.644 -6.476 1.00 0.00 H new ATOM 1390 N ALA A 88 -19.744 -5.213 -7.751 1.00 0.00 N ATOM 1391 CA ALA A 88 -20.764 -6.213 -8.190 1.00 0.00 C ATOM 1392 C ALA A 88 -21.751 -6.495 -7.055 1.00 0.00 C ATOM 1393 O ALA A 88 -21.364 -6.871 -5.965 1.00 0.00 O ATOM 1394 CB ALA A 88 -19.965 -7.471 -8.531 1.00 0.00 C ATOM 0 H ALA A 88 -18.855 -5.609 -7.447 1.00 0.00 H new ATOM 0 HA ALA A 88 -21.349 -5.860 -9.039 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.645 -8.255 -8.863 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -19.254 -7.246 -9.326 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -19.425 -7.810 -7.647 1.00 0.00 H new ATOM 1400 N LYS A 89 -23.026 -6.352 -7.317 1.00 0.00 N ATOM 1401 CA LYS A 89 -24.050 -6.651 -6.273 1.00 0.00 C ATOM 1402 C LYS A 89 -25.307 -7.257 -6.919 1.00 0.00 C ATOM 1403 O LYS A 89 -26.165 -6.533 -7.382 1.00 0.00 O ATOM 1404 CB LYS A 89 -24.373 -5.298 -5.637 1.00 0.00 C ATOM 1405 CG LYS A 89 -23.506 -5.098 -4.393 1.00 0.00 C ATOM 1406 CD LYS A 89 -24.258 -5.604 -3.160 1.00 0.00 C ATOM 1407 CE LYS A 89 -23.255 -5.966 -2.063 1.00 0.00 C ATOM 1408 NZ LYS A 89 -23.188 -4.761 -1.190 1.00 0.00 N ATOM 0 H LYS A 89 -23.402 -6.040 -8.212 1.00 0.00 H new ATOM 0 HA LYS A 89 -23.692 -7.372 -5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -24.192 -4.496 -6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -25.428 -5.253 -5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -22.564 -5.635 -4.503 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -23.260 -4.043 -4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -24.945 -4.838 -2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -24.859 -6.475 -3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -23.582 -6.842 -1.503 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -22.278 -6.203 -2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.519 -4.932 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -22.868 -3.945 -1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -24.131 -4.563 -0.798 1.00 0.00 H new ATOM 1422 N PRO A 90 -25.382 -8.575 -6.933 1.00 0.00 N ATOM 1423 CA PRO A 90 -26.560 -9.264 -7.536 1.00 0.00 C ATOM 1424 C PRO A 90 -27.871 -8.734 -6.943 1.00 0.00 C ATOM 1425 O PRO A 90 -27.919 -8.306 -5.804 1.00 0.00 O ATOM 1426 CB PRO A 90 -26.354 -10.729 -7.152 1.00 0.00 C ATOM 1427 CG PRO A 90 -24.883 -10.865 -6.932 1.00 0.00 C ATOM 1428 CD PRO A 90 -24.400 -9.540 -6.406 1.00 0.00 C ATOM 0 HA PRO A 90 -26.632 -9.108 -8.612 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -26.913 -10.984 -6.252 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -26.699 -11.397 -7.942 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -24.670 -11.664 -6.222 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -24.375 -11.121 -7.862 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -24.372 -9.528 -5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -23.392 -9.315 -6.753 1.00 0.00 H new ATOM 1436 N SER A 91 -28.939 -8.795 -7.696 1.00 0.00 N ATOM 1437 CA SER A 91 -30.260 -8.337 -7.171 1.00 0.00 C ATOM 1438 C SER A 91 -31.209 -9.529 -7.012 1.00 0.00 C ATOM 1439 O SER A 91 -32.412 -9.397 -7.142 1.00 0.00 O ATOM 1440 CB SER A 91 -30.791 -7.368 -8.226 1.00 0.00 C ATOM 1441 OG SER A 91 -30.796 -8.010 -9.495 1.00 0.00 O ATOM 0 H SER A 91 -28.953 -9.143 -8.655 1.00 0.00 H new ATOM 0 HA SER A 91 -30.174 -7.867 -6.191 1.00 0.00 H new ATOM 0 HB2 SER A 91 -31.799 -7.045 -7.965 1.00 0.00 H new ATOM 0 HB3 SER A 91 -30.169 -6.474 -8.261 1.00 0.00 H new ATOM 0 HG SER A 91 -31.138 -7.391 -10.173 1.00 0.00 H new ATOM 1447 N GLU A 92 -30.677 -10.682 -6.694 1.00 0.00 N ATOM 1448 CA GLU A 92 -31.543 -11.880 -6.479 1.00 0.00 C ATOM 1449 C GLU A 92 -30.818 -12.911 -5.606 1.00 0.00 C ATOM 1450 O GLU A 92 -29.690 -13.280 -5.876 1.00 0.00 O ATOM 1451 CB GLU A 92 -31.809 -12.442 -7.881 1.00 0.00 C ATOM 1452 CG GLU A 92 -30.485 -12.810 -8.564 1.00 0.00 C ATOM 1453 CD GLU A 92 -30.209 -14.303 -8.372 1.00 0.00 C ATOM 1454 OE1 GLU A 92 -31.155 -15.071 -8.420 1.00 0.00 O ATOM 1455 OE2 GLU A 92 -29.055 -14.652 -8.181 1.00 0.00 O ATOM 0 H GLU A 92 -29.677 -10.845 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 92 -32.470 -11.630 -5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -32.448 -13.322 -7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -32.344 -11.705 -8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -30.533 -12.572 -9.627 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -29.670 -12.222 -8.142 1.00 0.00 H new ATOM 1462 N THR A 93 -31.475 -13.404 -4.588 1.00 0.00 N ATOM 1463 CA THR A 93 -30.849 -14.445 -3.719 1.00 0.00 C ATOM 1464 C THR A 93 -31.922 -15.388 -3.167 1.00 0.00 C ATOM 1465 O THR A 93 -31.954 -16.560 -3.490 1.00 0.00 O ATOM 1466 CB THR A 93 -30.185 -13.666 -2.583 1.00 0.00 C ATOM 1467 OG1 THR A 93 -31.161 -12.879 -1.916 1.00 0.00 O ATOM 1468 CG2 THR A 93 -29.096 -12.755 -3.155 1.00 0.00 C ATOM 0 H THR A 93 -32.420 -13.130 -4.321 1.00 0.00 H new ATOM 0 HA THR A 93 -30.134 -15.061 -4.263 1.00 0.00 H new ATOM 0 HB THR A 93 -29.737 -14.365 -1.876 1.00 0.00 H new ATOM 0 HG1 THR A 93 -30.737 -12.381 -1.187 1.00 0.00 H new ATOM 0 HG21 THR A 93 -28.623 -12.200 -2.345 1.00 0.00 H new ATOM 0 HG22 THR A 93 -28.347 -13.360 -3.666 1.00 0.00 H new ATOM 0 HG23 THR A 93 -29.541 -12.055 -3.862 1.00 0.00 H new ATOM 1476 N LEU A 94 -32.821 -14.873 -2.367 1.00 0.00 N ATOM 1477 CA LEU A 94 -33.923 -15.721 -1.824 1.00 0.00 C ATOM 1478 C LEU A 94 -35.056 -15.837 -2.848 1.00 0.00 C ATOM 1479 O LEU A 94 -34.873 -15.365 -3.958 1.00 0.00 O ATOM 1480 CB LEU A 94 -34.405 -14.990 -0.570 1.00 0.00 C ATOM 1481 CG LEU A 94 -33.268 -14.921 0.449 1.00 0.00 C ATOM 1482 CD1 LEU A 94 -33.427 -13.666 1.309 1.00 0.00 C ATOM 1483 CD2 LEU A 94 -33.313 -16.161 1.346 1.00 0.00 C ATOM 1484 OXT LEU A 94 -36.085 -16.392 -2.504 1.00 0.00 O ATOM 0 H LEU A 94 -32.838 -13.899 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 94 -33.592 -16.735 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -34.738 -13.985 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -35.262 -15.509 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 94 -32.313 -14.883 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -32.616 -13.618 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -33.397 -12.782 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -34.382 -13.703 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -32.503 -16.113 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -34.269 -16.197 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -33.200 -17.056 0.735 1.00 0.00 H new TER 1496 LEU A 94