USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 590 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 14 GLN :FLIP amide:sc= 0.4 F(o=-0.77,f=0.84) USER MOD Set 1.2: A 40 THR OG1 : rot 82:sc= 0.441 USER MOD Single : A 1 MET CE :methyl -119:sc= -0.0241 (180deg=-0.222) USER MOD Single : A 1 MET N :NH3+ -126:sc= -0.0451 (180deg=-0.9) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.582 K(o=-0.58,f=-6.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 69:sc= 1.25 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0032 USER MOD Single : A 21 CYS SG : rot -130:sc= -0.0869 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.4) USER MOD Single : A 32 MET CE :methyl 155:sc= -0.282 (180deg=-1.16) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.3) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= -1.92! USER MOD Single : A 52 GLN : amide:sc= -0.0147 X(o=-0.015,f=-0.45) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 139:sc= -0.146 (180deg=-1.31!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -162:sc= -0.398 (180deg=-1.38) USER MOD Single : A 65 MET CE :methyl -143:sc= -0.208 (180deg=-1.58!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.711 4.056 18.687 1.00 0.00 N ATOM 2 CA MET A 1 3.562 5.253 18.949 1.00 0.00 C ATOM 3 C MET A 1 4.921 4.811 19.490 1.00 0.00 C ATOM 4 O MET A 1 5.094 3.677 19.895 1.00 0.00 O ATOM 5 CB MET A 1 2.798 6.052 20.006 1.00 0.00 C ATOM 6 CG MET A 1 1.534 6.658 19.386 1.00 0.00 C ATOM 7 SD MET A 1 1.845 8.381 18.928 1.00 0.00 S ATOM 8 CE MET A 1 1.740 9.087 20.593 1.00 0.00 C ATOM 0 H1 MET A 1 2.369 4.082 17.705 1.00 0.00 H new ATOM 0 H2 MET A 1 3.271 3.192 18.836 1.00 0.00 H new ATOM 0 H3 MET A 1 1.899 4.058 19.337 1.00 0.00 H new ATOM 0 HA MET A 1 3.749 5.841 18.050 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.530 5.405 20.841 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.433 6.843 20.406 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.238 6.086 18.507 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.708 6.603 20.095 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.927 9.812 20.630 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.551 8.292 21.314 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.679 9.583 20.838 1.00 0.00 H new ATOM 18 N LYS A 2 5.888 5.696 19.494 1.00 0.00 N ATOM 19 CA LYS A 2 7.249 5.335 20.000 1.00 0.00 C ATOM 20 C LYS A 2 7.811 4.158 19.184 1.00 0.00 C ATOM 21 O LYS A 2 8.618 4.342 18.293 1.00 0.00 O ATOM 22 CB LYS A 2 7.053 4.960 21.480 1.00 0.00 C ATOM 23 CG LYS A 2 6.936 6.244 22.309 1.00 0.00 C ATOM 24 CD LYS A 2 6.477 5.914 23.731 1.00 0.00 C ATOM 25 CE LYS A 2 6.460 7.202 24.560 1.00 0.00 C ATOM 26 NZ LYS A 2 5.250 7.097 25.422 1.00 0.00 N ATOM 0 H LYS A 2 5.792 6.657 19.167 1.00 0.00 H new ATOM 0 HA LYS A 2 7.964 6.152 19.901 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.156 4.352 21.599 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.893 4.361 21.831 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.898 6.755 22.339 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.227 6.926 21.839 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.484 5.465 23.712 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.148 5.184 24.183 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.365 7.295 25.161 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.411 8.082 23.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.174 7.946 26.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.403 7.017 24.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.327 6.255 26.027 1.00 0.00 H new ATOM 40 N THR A 3 7.379 2.959 19.472 1.00 0.00 N ATOM 41 CA THR A 3 7.874 1.766 18.712 1.00 0.00 C ATOM 42 C THR A 3 7.723 1.970 17.195 1.00 0.00 C ATOM 43 O THR A 3 6.946 2.790 16.745 1.00 0.00 O ATOM 44 CB THR A 3 6.979 0.618 19.180 1.00 0.00 C ATOM 45 OG1 THR A 3 7.000 0.557 20.597 1.00 0.00 O ATOM 46 CG2 THR A 3 7.490 -0.702 18.606 1.00 0.00 C ATOM 0 H THR A 3 6.701 2.750 20.205 1.00 0.00 H new ATOM 0 HA THR A 3 8.933 1.580 18.893 1.00 0.00 H new ATOM 0 HB THR A 3 5.960 0.789 18.834 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.426 -0.177 20.901 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.849 -1.517 18.942 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.476 -0.655 17.517 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.510 -0.877 18.949 1.00 0.00 H new ATOM 54 N THR A 4 8.450 1.219 16.399 1.00 0.00 N ATOM 55 CA THR A 4 8.324 1.373 14.918 1.00 0.00 C ATOM 56 C THR A 4 7.082 0.617 14.427 1.00 0.00 C ATOM 57 O THR A 4 6.776 -0.467 14.886 1.00 0.00 O ATOM 58 CB THR A 4 9.618 0.802 14.300 1.00 0.00 C ATOM 59 OG1 THR A 4 9.702 1.229 12.943 1.00 0.00 O ATOM 60 CG2 THR A 4 9.631 -0.732 14.350 1.00 0.00 C ATOM 0 H THR A 4 9.118 0.514 16.710 1.00 0.00 H new ATOM 0 HA THR A 4 8.202 2.416 14.626 1.00 0.00 H new ATOM 0 HB THR A 4 10.470 1.167 14.874 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.521 0.874 12.539 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.555 -1.103 13.907 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.567 -1.063 15.387 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.780 -1.121 13.792 1.00 0.00 H new ATOM 68 N ARG A 5 6.356 1.199 13.508 1.00 0.00 N ATOM 69 CA ARG A 5 5.121 0.539 12.990 1.00 0.00 C ATOM 70 C ARG A 5 5.486 -0.510 11.938 1.00 0.00 C ATOM 71 O ARG A 5 6.498 -0.412 11.278 1.00 0.00 O ATOM 72 CB ARG A 5 4.306 1.663 12.347 1.00 0.00 C ATOM 73 CG ARG A 5 3.902 2.690 13.405 1.00 0.00 C ATOM 74 CD ARG A 5 3.849 4.078 12.769 1.00 0.00 C ATOM 75 NE ARG A 5 2.855 4.827 13.576 1.00 0.00 N ATOM 76 CZ ARG A 5 2.738 6.110 13.416 1.00 0.00 C ATOM 77 NH1 ARG A 5 2.606 6.599 12.214 1.00 0.00 N ATOM 78 NH2 ARG A 5 2.761 6.899 14.449 1.00 0.00 N ATOM 0 H ARG A 5 6.566 2.106 13.093 1.00 0.00 H new ATOM 0 HA ARG A 5 4.568 0.030 13.779 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.892 2.146 11.565 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.416 1.251 11.870 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.930 2.433 13.825 1.00 0.00 H new ATOM 0 HG3 ARG A 5 4.617 2.682 14.228 1.00 0.00 H new ATOM 0 HD2 ARG A 5 4.825 4.562 12.795 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.548 4.023 11.723 1.00 0.00 H new ATOM 0 HE ARG A 5 2.268 4.338 14.251 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.595 5.974 11.408 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.514 7.606 12.080 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.871 6.510 15.385 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.669 7.907 14.323 1.00 0.00 H new ATOM 92 N VAL A 6 4.668 -1.511 11.776 1.00 0.00 N ATOM 93 CA VAL A 6 4.970 -2.565 10.761 1.00 0.00 C ATOM 94 C VAL A 6 4.972 -1.954 9.352 1.00 0.00 C ATOM 95 O VAL A 6 4.145 -1.122 9.027 1.00 0.00 O ATOM 96 CB VAL A 6 3.843 -3.585 10.918 1.00 0.00 C ATOM 97 CG1 VAL A 6 2.515 -2.932 10.548 1.00 0.00 C ATOM 98 CG2 VAL A 6 4.092 -4.781 9.998 1.00 0.00 C ATOM 0 H VAL A 6 3.804 -1.648 12.300 1.00 0.00 H new ATOM 0 HA VAL A 6 5.950 -3.020 10.902 1.00 0.00 H new ATOM 0 HB VAL A 6 3.811 -3.927 11.952 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.709 -3.658 10.659 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.332 -2.082 11.206 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.554 -2.589 9.514 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.285 -5.504 10.115 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.128 -4.442 8.963 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.040 -5.250 10.260 1.00 0.00 H new ATOM 108 N ARG A 7 5.905 -2.354 8.523 1.00 0.00 N ATOM 109 CA ARG A 7 5.980 -1.799 7.134 1.00 0.00 C ATOM 110 C ARG A 7 7.162 -2.412 6.365 1.00 0.00 C ATOM 111 O ARG A 7 8.256 -1.888 6.386 1.00 0.00 O ATOM 112 CB ARG A 7 6.194 -0.284 7.299 1.00 0.00 C ATOM 113 CG ARG A 7 7.421 0.004 8.187 1.00 0.00 C ATOM 114 CD ARG A 7 7.543 1.520 8.394 1.00 0.00 C ATOM 115 NE ARG A 7 8.986 1.838 8.188 1.00 0.00 N ATOM 116 CZ ARG A 7 9.432 3.038 8.448 1.00 0.00 C ATOM 117 NH1 ARG A 7 8.795 4.082 7.992 1.00 0.00 N ATOM 118 NH2 ARG A 7 10.514 3.191 9.160 1.00 0.00 N ATOM 0 H ARG A 7 6.621 -3.044 8.749 1.00 0.00 H new ATOM 0 HA ARG A 7 5.075 -2.026 6.570 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.332 0.177 6.321 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.306 0.167 7.742 1.00 0.00 H new ATOM 0 HG2 ARG A 7 7.317 -0.500 9.148 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.325 -0.386 7.719 1.00 0.00 H new ATOM 0 HD2 ARG A 7 6.917 2.064 7.687 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.217 1.807 9.394 1.00 0.00 H new ATOM 0 HE ARG A 7 9.623 1.119 7.845 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.950 3.960 7.434 1.00 0.00 H new ATOM 0 HH12 ARG A 7 9.142 5.020 8.194 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.012 2.374 9.514 1.00 0.00 H new ATOM 0 HH22 ARG A 7 10.863 4.128 9.363 1.00 0.00 H new ATOM 132 N THR A 8 6.956 -3.510 5.681 1.00 0.00 N ATOM 133 CA THR A 8 8.084 -4.135 4.918 1.00 0.00 C ATOM 134 C THR A 8 8.373 -3.348 3.632 1.00 0.00 C ATOM 135 O THR A 8 7.505 -2.702 3.073 1.00 0.00 O ATOM 136 CB THR A 8 7.620 -5.561 4.587 1.00 0.00 C ATOM 137 OG1 THR A 8 7.400 -6.275 5.793 1.00 0.00 O ATOM 138 CG2 THR A 8 8.691 -6.279 3.759 1.00 0.00 C ATOM 0 H THR A 8 6.063 -3.999 5.617 1.00 0.00 H new ATOM 0 HA THR A 8 9.007 -4.136 5.497 1.00 0.00 H new ATOM 0 HB THR A 8 6.695 -5.514 4.013 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.102 -7.185 5.585 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.355 -7.290 3.528 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.861 -5.732 2.832 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.620 -6.326 4.328 1.00 0.00 H new ATOM 146 N VAL A 9 9.595 -3.401 3.167 1.00 0.00 N ATOM 147 CA VAL A 9 9.972 -2.667 1.922 1.00 0.00 C ATOM 148 C VAL A 9 9.735 -3.576 0.713 1.00 0.00 C ATOM 149 O VAL A 9 9.389 -4.731 0.863 1.00 0.00 O ATOM 150 CB VAL A 9 11.458 -2.330 2.109 1.00 0.00 C ATOM 151 CG1 VAL A 9 11.933 -1.386 0.997 1.00 0.00 C ATOM 152 CG2 VAL A 9 11.645 -1.644 3.470 1.00 0.00 C ATOM 0 H VAL A 9 10.354 -3.926 3.601 1.00 0.00 H new ATOM 0 HA VAL A 9 9.387 -1.764 1.749 1.00 0.00 H new ATOM 0 HB VAL A 9 12.043 -3.249 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.988 -1.155 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.796 -1.867 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.352 -0.464 1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 9 12.698 -1.400 3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 9 11.053 -0.729 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 9 11.317 -2.315 4.264 1.00 0.00 H new ATOM 162 N LEU A 10 9.897 -3.068 -0.486 1.00 0.00 N ATOM 163 CA LEU A 10 9.656 -3.913 -1.702 1.00 0.00 C ATOM 164 C LEU A 10 10.567 -3.447 -2.850 1.00 0.00 C ATOM 165 O LEU A 10 11.547 -2.764 -2.630 1.00 0.00 O ATOM 166 CB LEU A 10 8.180 -3.692 -2.101 1.00 0.00 C ATOM 167 CG LEU A 10 7.279 -3.504 -0.872 1.00 0.00 C ATOM 168 CD1 LEU A 10 7.217 -2.016 -0.504 1.00 0.00 C ATOM 169 CD2 LEU A 10 5.865 -4.018 -1.181 1.00 0.00 C ATOM 0 H LEU A 10 10.185 -2.108 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 10 9.867 -4.963 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.105 -2.815 -2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.829 -4.545 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 10 7.690 -4.068 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.577 -1.883 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.220 -1.655 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.809 -1.451 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.229 -3.883 -0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.450 -3.460 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.910 -5.077 -1.436 1.00 0.00 H new ATOM 181 N ASN A 11 10.257 -3.813 -4.072 1.00 0.00 N ATOM 182 CA ASN A 11 11.111 -3.382 -5.225 1.00 0.00 C ATOM 183 C ASN A 11 10.283 -3.303 -6.522 1.00 0.00 C ATOM 184 O ASN A 11 9.071 -3.290 -6.499 1.00 0.00 O ATOM 185 CB ASN A 11 12.214 -4.437 -5.344 1.00 0.00 C ATOM 186 CG ASN A 11 11.599 -5.836 -5.408 1.00 0.00 C ATOM 187 OD1 ASN A 11 10.452 -5.995 -5.781 1.00 0.00 O ATOM 188 ND2 ASN A 11 12.328 -6.864 -5.072 1.00 0.00 N ATOM 0 H ASN A 11 9.453 -4.389 -4.320 1.00 0.00 H new ATOM 0 HA ASN A 11 11.527 -2.387 -5.064 1.00 0.00 H new ATOM 0 HB2 ASN A 11 12.810 -4.252 -6.238 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.889 -4.367 -4.491 1.00 0.00 H new ATOM 0 HD21 ASN A 11 11.937 -7.805 -5.122 1.00 0.00 H new ATOM 0 HD22 ASN A 11 13.289 -6.727 -4.760 1.00 0.00 H new ATOM 195 N GLU A 12 10.940 -3.228 -7.649 1.00 0.00 N ATOM 196 CA GLU A 12 10.222 -3.130 -8.964 1.00 0.00 C ATOM 197 C GLU A 12 9.261 -4.318 -9.204 1.00 0.00 C ATOM 198 O GLU A 12 8.323 -4.214 -9.966 1.00 0.00 O ATOM 199 CB GLU A 12 11.348 -3.136 -10.008 1.00 0.00 C ATOM 200 CG GLU A 12 11.391 -1.790 -10.741 1.00 0.00 C ATOM 201 CD GLU A 12 12.237 -1.930 -12.011 1.00 0.00 C ATOM 202 OE1 GLU A 12 13.453 -1.913 -11.894 1.00 0.00 O ATOM 203 OE2 GLU A 12 11.654 -2.052 -13.075 1.00 0.00 O ATOM 0 H GLU A 12 11.958 -3.230 -7.720 1.00 0.00 H new ATOM 0 HA GLU A 12 9.594 -2.240 -9.007 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.305 -3.325 -9.522 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.188 -3.944 -10.722 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.381 -1.470 -10.997 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.813 -1.023 -10.092 1.00 0.00 H new ATOM 210 N LYS A 13 9.508 -5.446 -8.595 1.00 0.00 N ATOM 211 CA LYS A 13 8.636 -6.646 -8.825 1.00 0.00 C ATOM 212 C LYS A 13 7.203 -6.419 -8.312 1.00 0.00 C ATOM 213 O LYS A 13 6.273 -6.295 -9.088 1.00 0.00 O ATOM 214 CB LYS A 13 9.331 -7.775 -8.043 1.00 0.00 C ATOM 215 CG LYS A 13 9.073 -9.134 -8.712 1.00 0.00 C ATOM 216 CD LYS A 13 10.203 -10.112 -8.345 1.00 0.00 C ATOM 217 CE LYS A 13 10.244 -11.287 -9.335 1.00 0.00 C ATOM 218 NZ LYS A 13 11.479 -12.044 -8.979 1.00 0.00 N ATOM 0 H LYS A 13 10.279 -5.594 -7.944 1.00 0.00 H new ATOM 0 HA LYS A 13 8.528 -6.874 -9.885 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.403 -7.585 -7.995 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.964 -7.793 -7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.112 -9.534 -8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.019 -9.014 -9.794 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.160 -9.590 -8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.052 -10.487 -7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.356 -11.913 -9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.280 -10.934 -10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.578 -12.864 -9.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.308 -11.424 -9.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.413 -12.373 -7.994 1.00 0.00 H new ATOM 232 N GLN A 14 7.014 -6.387 -7.017 1.00 0.00 N ATOM 233 CA GLN A 14 5.636 -6.196 -6.460 1.00 0.00 C ATOM 234 C GLN A 14 5.059 -4.830 -6.831 1.00 0.00 C ATOM 235 O GLN A 14 3.916 -4.734 -7.230 1.00 0.00 O ATOM 236 CB GLN A 14 5.780 -6.345 -4.941 1.00 0.00 C ATOM 237 CG GLN A 14 6.347 -7.736 -4.629 1.00 0.00 C ATOM 238 CD GLN A 14 5.402 -8.504 -3.704 1.00 0.00 C ATOM 239 OE1 GLN A 14 4.263 -8.935 -4.173 1.00 0.00 O flip ATOM 240 NE2 GLN A 14 5.708 -8.723 -2.547 1.00 0.00 N flip ATOM 0 H GLN A 14 7.752 -6.485 -6.320 1.00 0.00 H new ATOM 0 HA GLN A 14 4.941 -6.927 -6.872 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.440 -5.572 -4.547 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.812 -6.215 -4.456 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.491 -8.293 -5.555 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.326 -7.639 -4.160 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.599 -8.385 -2.182 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.074 -9.244 -1.942 1.00 0.00 H new ATOM 249 N LEU A 15 5.811 -3.767 -6.698 1.00 0.00 N ATOM 250 CA LEU A 15 5.239 -2.426 -7.042 1.00 0.00 C ATOM 251 C LEU A 15 4.572 -2.456 -8.431 1.00 0.00 C ATOM 252 O LEU A 15 3.585 -1.788 -8.657 1.00 0.00 O ATOM 253 CB LEU A 15 6.403 -1.434 -7.017 1.00 0.00 C ATOM 254 CG LEU A 15 5.832 -0.030 -6.790 1.00 0.00 C ATOM 255 CD1 LEU A 15 5.499 0.164 -5.308 1.00 0.00 C ATOM 256 CD2 LEU A 15 6.845 1.030 -7.232 1.00 0.00 C ATOM 0 H LEU A 15 6.778 -3.765 -6.373 1.00 0.00 H new ATOM 0 HA LEU A 15 4.467 -2.137 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.105 -1.692 -6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.955 -1.472 -7.956 1.00 0.00 H new ATOM 0 HG LEU A 15 4.923 0.078 -7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.094 1.164 -5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.762 -0.578 -5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.404 0.044 -4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.428 2.023 -7.066 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.762 0.920 -6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.067 0.902 -8.292 1.00 0.00 H new ATOM 268 N HIS A 16 5.084 -3.237 -9.355 1.00 0.00 N ATOM 269 CA HIS A 16 4.461 -3.313 -10.719 1.00 0.00 C ATOM 270 C HIS A 16 2.948 -3.560 -10.606 1.00 0.00 C ATOM 271 O HIS A 16 2.151 -2.862 -11.197 1.00 0.00 O ATOM 272 CB HIS A 16 5.148 -4.500 -11.408 1.00 0.00 C ATOM 273 CG HIS A 16 4.733 -4.573 -12.853 1.00 0.00 C ATOM 274 ND1 HIS A 16 4.136 -5.703 -13.389 1.00 0.00 N ATOM 275 CD2 HIS A 16 4.839 -3.676 -13.889 1.00 0.00 C ATOM 276 CE1 HIS A 16 3.907 -5.460 -14.693 1.00 0.00 C ATOM 277 NE2 HIS A 16 4.318 -4.239 -15.050 1.00 0.00 N ATOM 0 H HIS A 16 5.907 -3.826 -9.224 1.00 0.00 H new ATOM 0 HA HIS A 16 4.589 -2.386 -11.278 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.231 -4.394 -11.338 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.885 -5.427 -10.899 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.262 -2.685 -13.813 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.447 -6.166 -15.369 1.00 0.00 H new ATOM 0 HE2 HIS A 16 4.262 -3.812 -15.975 1.00 0.00 H new ATOM 285 N THR A 17 2.546 -4.548 -9.848 1.00 0.00 N ATOM 286 CA THR A 17 1.083 -4.831 -9.698 1.00 0.00 C ATOM 287 C THR A 17 0.350 -3.581 -9.182 1.00 0.00 C ATOM 288 O THR A 17 -0.392 -2.940 -9.903 1.00 0.00 O ATOM 289 CB THR A 17 0.998 -5.974 -8.671 1.00 0.00 C ATOM 290 OG1 THR A 17 2.295 -6.257 -8.164 1.00 0.00 O ATOM 291 CG2 THR A 17 0.439 -7.238 -9.329 1.00 0.00 C ATOM 0 H THR A 17 3.164 -5.170 -9.327 1.00 0.00 H new ATOM 0 HA THR A 17 0.616 -5.103 -10.645 1.00 0.00 H new ATOM 0 HB THR A 17 0.338 -5.665 -7.860 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.597 -5.512 -7.604 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.384 -8.038 -8.591 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.559 -7.035 -9.719 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.093 -7.542 -10.147 1.00 0.00 H new ATOM 299 N LEU A 18 0.561 -3.233 -7.935 1.00 0.00 N ATOM 300 CA LEU A 18 -0.116 -2.030 -7.348 1.00 0.00 C ATOM 301 C LEU A 18 -0.005 -0.811 -8.288 1.00 0.00 C ATOM 302 O LEU A 18 -0.925 -0.026 -8.403 1.00 0.00 O ATOM 303 CB LEU A 18 0.607 -1.783 -6.017 1.00 0.00 C ATOM 304 CG LEU A 18 0.415 -2.993 -5.084 1.00 0.00 C ATOM 305 CD1 LEU A 18 1.756 -3.387 -4.463 1.00 0.00 C ATOM 306 CD2 LEU A 18 -0.565 -2.642 -3.957 1.00 0.00 C ATOM 0 H LEU A 18 1.177 -3.733 -7.294 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.185 -2.190 -7.205 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.669 -1.615 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.217 -0.882 -5.543 1.00 0.00 H new ATOM 0 HG LEU A 18 0.018 -3.822 -5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.614 -4.243 -3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.460 -3.650 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.151 -2.549 -3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.693 -3.505 -3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.171 -1.805 -3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.528 -2.366 -4.386 1.00 0.00 H new ATOM 318 N ARG A 19 1.105 -0.657 -8.965 1.00 0.00 N ATOM 319 CA ARG A 19 1.276 0.497 -9.910 1.00 0.00 C ATOM 320 C ARG A 19 0.042 0.634 -10.817 1.00 0.00 C ATOM 321 O ARG A 19 -0.413 1.723 -11.112 1.00 0.00 O ATOM 322 CB ARG A 19 2.530 0.130 -10.728 1.00 0.00 C ATOM 323 CG ARG A 19 2.698 1.067 -11.936 1.00 0.00 C ATOM 324 CD ARG A 19 3.965 1.912 -11.759 1.00 0.00 C ATOM 325 NE ARG A 19 4.955 1.369 -12.735 1.00 0.00 N ATOM 326 CZ ARG A 19 5.990 2.090 -13.083 1.00 0.00 C ATOM 327 NH1 ARG A 19 6.872 2.441 -12.184 1.00 0.00 N ATOM 328 NH2 ARG A 19 6.146 2.448 -14.333 1.00 0.00 N ATOM 0 H ARG A 19 1.908 -1.284 -8.905 1.00 0.00 H new ATOM 0 HA ARG A 19 1.383 1.453 -9.398 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.413 0.190 -10.092 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.454 -0.902 -11.072 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.763 0.484 -12.855 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.827 1.715 -12.030 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.763 2.965 -11.952 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.343 1.842 -10.739 1.00 0.00 H new ATOM 0 HE ARG A 19 4.825 0.438 -13.130 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.753 2.153 -11.213 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.679 3.003 -12.454 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.461 2.165 -15.034 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.952 3.010 -14.606 1.00 0.00 H new ATOM 342 N THR A 20 -0.478 -0.473 -11.273 1.00 0.00 N ATOM 343 CA THR A 20 -1.661 -0.445 -12.188 1.00 0.00 C ATOM 344 C THR A 20 -2.944 0.007 -11.471 1.00 0.00 C ATOM 345 O THR A 20 -3.695 0.803 -11.996 1.00 0.00 O ATOM 346 CB THR A 20 -1.784 -1.890 -12.684 1.00 0.00 C ATOM 347 OG1 THR A 20 -0.520 -2.311 -13.185 1.00 0.00 O ATOM 348 CG2 THR A 20 -2.837 -1.981 -13.795 1.00 0.00 C ATOM 0 H THR A 20 -0.132 -1.406 -11.050 1.00 0.00 H new ATOM 0 HA THR A 20 -1.528 0.272 -12.998 1.00 0.00 H new ATOM 0 HB THR A 20 -2.092 -2.533 -11.860 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.586 -3.235 -13.504 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.915 -3.012 -14.139 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.802 -1.653 -13.409 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.543 -1.342 -14.628 1.00 0.00 H new ATOM 356 N CYS A 21 -3.221 -0.494 -10.297 1.00 0.00 N ATOM 357 CA CYS A 21 -4.473 -0.070 -9.600 1.00 0.00 C ATOM 358 C CYS A 21 -4.454 1.446 -9.340 1.00 0.00 C ATOM 359 O CYS A 21 -5.247 2.193 -9.884 1.00 0.00 O ATOM 360 CB CYS A 21 -4.481 -0.855 -8.283 1.00 0.00 C ATOM 361 SG CYS A 21 -5.282 -2.460 -8.542 1.00 0.00 S ATOM 0 H CYS A 21 -2.645 -1.169 -9.795 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.365 -0.270 -10.193 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.461 -0.999 -7.927 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.011 -0.292 -7.515 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.184 -2.648 -7.625 1.00 0.00 H new ATOM 367 N TYR A 22 -3.561 1.897 -8.495 1.00 0.00 N ATOM 368 CA TYR A 22 -3.480 3.359 -8.166 1.00 0.00 C ATOM 369 C TYR A 22 -3.460 4.240 -9.422 1.00 0.00 C ATOM 370 O TYR A 22 -4.098 5.273 -9.471 1.00 0.00 O ATOM 371 CB TYR A 22 -2.164 3.524 -7.399 1.00 0.00 C ATOM 372 CG TYR A 22 -1.992 4.979 -6.993 1.00 0.00 C ATOM 373 CD1 TYR A 22 -1.505 5.923 -7.915 1.00 0.00 C ATOM 374 CD2 TYR A 22 -2.332 5.384 -5.698 1.00 0.00 C ATOM 375 CE1 TYR A 22 -1.360 7.266 -7.533 1.00 0.00 C ATOM 376 CE2 TYR A 22 -2.185 6.725 -5.319 1.00 0.00 C ATOM 377 CZ TYR A 22 -1.701 7.667 -6.234 1.00 0.00 C ATOM 378 OH TYR A 22 -1.559 8.987 -5.846 1.00 0.00 O ATOM 0 H TYR A 22 -2.878 1.312 -8.014 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.353 3.671 -7.593 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.164 2.886 -6.515 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.326 3.207 -8.021 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.243 5.615 -8.916 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.709 4.662 -4.989 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.985 7.991 -8.241 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.446 7.033 -4.317 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.843 9.086 -4.913 1.00 0.00 H new ATOM 388 N ALA A 23 -2.709 3.865 -10.418 1.00 0.00 N ATOM 389 CA ALA A 23 -2.621 4.707 -11.649 1.00 0.00 C ATOM 390 C ALA A 23 -4.012 5.077 -12.187 1.00 0.00 C ATOM 391 O ALA A 23 -4.160 6.041 -12.916 1.00 0.00 O ATOM 392 CB ALA A 23 -1.868 3.839 -12.656 1.00 0.00 C ATOM 0 H ALA A 23 -2.151 3.012 -10.436 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.120 5.655 -11.452 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.758 4.383 -13.594 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.882 3.595 -12.260 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.426 2.919 -12.833 1.00 0.00 H new ATOM 398 N ALA A 24 -5.031 4.326 -11.847 1.00 0.00 N ATOM 399 CA ALA A 24 -6.395 4.657 -12.371 1.00 0.00 C ATOM 400 C ALA A 24 -7.409 4.871 -11.248 1.00 0.00 C ATOM 401 O ALA A 24 -8.496 5.366 -11.478 1.00 0.00 O ATOM 402 CB ALA A 24 -6.799 3.448 -13.209 1.00 0.00 C ATOM 0 H ALA A 24 -4.981 3.509 -11.238 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.376 5.586 -12.941 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.791 3.612 -13.630 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.080 3.309 -14.017 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.815 2.558 -12.580 1.00 0.00 H new ATOM 408 N ASN A 25 -7.084 4.502 -10.048 1.00 0.00 N ATOM 409 CA ASN A 25 -8.062 4.696 -8.942 1.00 0.00 C ATOM 410 C ASN A 25 -7.380 4.587 -7.580 1.00 0.00 C ATOM 411 O ASN A 25 -7.294 3.516 -7.015 1.00 0.00 O ATOM 412 CB ASN A 25 -9.119 3.600 -9.123 1.00 0.00 C ATOM 413 CG ASN A 25 -8.454 2.220 -9.175 1.00 0.00 C ATOM 414 OD1 ASN A 25 -7.958 1.816 -10.204 1.00 0.00 O ATOM 415 ND2 ASN A 25 -8.432 1.471 -8.104 1.00 0.00 N ATOM 0 H ASN A 25 -6.195 4.079 -9.782 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.511 5.689 -8.976 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.834 3.636 -8.301 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.680 3.775 -10.041 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.998 0.549 -8.136 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.849 1.809 -7.237 1.00 0.00 H new ATOM 422 N PRO A 26 -6.925 5.715 -7.092 1.00 0.00 N ATOM 423 CA PRO A 26 -6.264 5.759 -5.767 1.00 0.00 C ATOM 424 C PRO A 26 -7.298 5.736 -4.643 1.00 0.00 C ATOM 425 O PRO A 26 -7.162 6.438 -3.660 1.00 0.00 O ATOM 426 CB PRO A 26 -5.551 7.102 -5.765 1.00 0.00 C ATOM 427 CG PRO A 26 -6.319 7.957 -6.723 1.00 0.00 C ATOM 428 CD PRO A 26 -6.971 7.040 -7.728 1.00 0.00 C ATOM 0 HA PRO A 26 -5.601 4.909 -5.608 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.541 7.541 -4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.512 6.996 -6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.071 8.544 -6.195 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.656 8.664 -7.222 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.996 7.345 -7.939 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.435 7.045 -8.677 1.00 0.00 H new ATOM 436 N ARG A 27 -8.330 4.949 -4.763 1.00 0.00 N ATOM 437 CA ARG A 27 -9.340 4.919 -3.673 1.00 0.00 C ATOM 438 C ARG A 27 -10.055 3.562 -3.607 1.00 0.00 C ATOM 439 O ARG A 27 -11.192 3.449 -4.013 1.00 0.00 O ATOM 440 CB ARG A 27 -10.330 6.045 -3.998 1.00 0.00 C ATOM 441 CG ARG A 27 -10.125 7.209 -3.021 1.00 0.00 C ATOM 442 CD ARG A 27 -11.292 8.186 -3.148 1.00 0.00 C ATOM 443 NE ARG A 27 -10.827 9.454 -2.520 1.00 0.00 N ATOM 444 CZ ARG A 27 -11.564 10.522 -2.628 1.00 0.00 C ATOM 445 NH1 ARG A 27 -11.977 10.899 -3.807 1.00 0.00 N ATOM 446 NH2 ARG A 27 -11.907 11.196 -1.562 1.00 0.00 N ATOM 0 H ARG A 27 -8.515 4.335 -5.556 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.874 5.059 -2.698 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.184 6.387 -5.023 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.353 5.675 -3.929 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.059 6.834 -2.000 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.185 7.718 -3.235 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.560 8.342 -4.193 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -12.180 7.803 -2.645 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.943 9.485 -2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.722 10.358 -4.634 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.555 11.734 -3.902 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.597 10.886 -0.641 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.484 12.032 -1.651 1.00 0.00 H new ATOM 460 N PRO A 28 -9.371 2.579 -3.068 1.00 0.00 N ATOM 461 CA PRO A 28 -9.973 1.229 -2.910 1.00 0.00 C ATOM 462 C PRO A 28 -10.859 1.173 -1.660 1.00 0.00 C ATOM 463 O PRO A 28 -10.852 2.073 -0.846 1.00 0.00 O ATOM 464 CB PRO A 28 -8.774 0.320 -2.723 1.00 0.00 C ATOM 465 CG PRO A 28 -7.692 1.196 -2.168 1.00 0.00 C ATOM 466 CD PRO A 28 -7.979 2.616 -2.590 1.00 0.00 C ATOM 0 HA PRO A 28 -10.601 0.952 -3.757 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.005 -0.499 -2.042 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.470 -0.128 -3.669 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.661 1.120 -1.081 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.717 0.878 -2.538 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.863 3.310 -1.757 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.297 2.943 -3.375 1.00 0.00 H new ATOM 474 N ASP A 29 -11.615 0.117 -1.488 1.00 0.00 N ATOM 475 CA ASP A 29 -12.490 0.024 -0.283 1.00 0.00 C ATOM 476 C ASP A 29 -12.806 -1.436 0.051 1.00 0.00 C ATOM 477 O ASP A 29 -12.191 -2.352 -0.454 1.00 0.00 O ATOM 478 CB ASP A 29 -13.784 0.739 -0.673 1.00 0.00 C ATOM 479 CG ASP A 29 -13.505 2.206 -0.996 1.00 0.00 C ATOM 480 OD1 ASP A 29 -13.548 3.014 -0.080 1.00 0.00 O ATOM 481 OD2 ASP A 29 -13.250 2.499 -2.156 1.00 0.00 O ATOM 0 H ASP A 29 -11.663 -0.678 -2.125 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.008 0.462 0.591 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -14.232 0.248 -1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.505 0.670 0.142 1.00 0.00 H new ATOM 486 N ALA A 30 -13.765 -1.644 0.916 1.00 0.00 N ATOM 487 CA ALA A 30 -14.151 -3.031 1.325 1.00 0.00 C ATOM 488 C ALA A 30 -14.252 -3.978 0.122 1.00 0.00 C ATOM 489 O ALA A 30 -13.988 -5.157 0.236 1.00 0.00 O ATOM 490 CB ALA A 30 -15.526 -2.886 1.986 1.00 0.00 C ATOM 0 H ALA A 30 -14.305 -0.903 1.363 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.402 -3.460 1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -15.877 -3.864 2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -15.448 -2.222 2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -16.232 -2.469 1.268 1.00 0.00 H new ATOM 496 N LEU A 31 -14.654 -3.487 -1.018 1.00 0.00 N ATOM 497 CA LEU A 31 -14.787 -4.389 -2.199 1.00 0.00 C ATOM 498 C LEU A 31 -13.411 -4.827 -2.732 1.00 0.00 C ATOM 499 O LEU A 31 -12.954 -5.924 -2.464 1.00 0.00 O ATOM 500 CB LEU A 31 -15.577 -3.571 -3.234 1.00 0.00 C ATOM 501 CG LEU A 31 -16.809 -4.361 -3.701 1.00 0.00 C ATOM 502 CD1 LEU A 31 -16.368 -5.667 -4.367 1.00 0.00 C ATOM 503 CD2 LEU A 31 -17.718 -4.683 -2.507 1.00 0.00 C ATOM 0 H LEU A 31 -14.894 -2.510 -1.183 1.00 0.00 H new ATOM 0 HA LEU A 31 -15.299 -5.319 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -15.888 -2.621 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -14.940 -3.337 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 31 -17.361 -3.753 -4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -17.246 -6.222 -4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -15.738 -5.442 -5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.805 -6.268 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -18.587 -5.243 -2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -17.167 -5.280 -1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -18.047 -3.755 -2.039 1.00 0.00 H new ATOM 515 N MET A 32 -12.772 -3.998 -3.504 1.00 0.00 N ATOM 516 CA MET A 32 -11.438 -4.365 -4.085 1.00 0.00 C ATOM 517 C MET A 32 -10.417 -4.710 -2.996 1.00 0.00 C ATOM 518 O MET A 32 -9.422 -5.357 -3.262 1.00 0.00 O ATOM 519 CB MET A 32 -10.998 -3.124 -4.863 1.00 0.00 C ATOM 520 CG MET A 32 -12.002 -2.844 -5.984 1.00 0.00 C ATOM 521 SD MET A 32 -12.980 -1.370 -5.605 1.00 0.00 S ATOM 522 CE MET A 32 -14.487 -1.925 -6.439 1.00 0.00 C ATOM 0 H MET A 32 -13.113 -3.073 -3.764 1.00 0.00 H new ATOM 0 HA MET A 32 -11.508 -5.252 -4.714 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.934 -2.266 -4.194 1.00 0.00 H new ATOM 0 HB3 MET A 32 -10.003 -3.277 -5.281 1.00 0.00 H new ATOM 0 HG2 MET A 32 -11.474 -2.704 -6.927 1.00 0.00 H new ATOM 0 HG3 MET A 32 -12.662 -3.702 -6.112 1.00 0.00 H new ATOM 0 HE1 MET A 32 -15.351 -1.429 -5.997 1.00 0.00 H new ATOM 0 HE2 MET A 32 -14.429 -1.677 -7.499 1.00 0.00 H new ATOM 0 HE3 MET A 32 -14.590 -3.004 -6.324 1.00 0.00 H new ATOM 532 N LYS A 33 -10.647 -4.292 -1.772 1.00 0.00 N ATOM 533 CA LYS A 33 -9.676 -4.621 -0.673 1.00 0.00 C ATOM 534 C LYS A 33 -9.388 -6.125 -0.672 1.00 0.00 C ATOM 535 O LYS A 33 -8.261 -6.559 -0.814 1.00 0.00 O ATOM 536 CB LYS A 33 -10.397 -4.262 0.627 1.00 0.00 C ATOM 537 CG LYS A 33 -9.876 -2.941 1.198 1.00 0.00 C ATOM 538 CD LYS A 33 -10.229 -2.879 2.693 1.00 0.00 C ATOM 539 CE LYS A 33 -8.951 -2.880 3.538 1.00 0.00 C ATOM 540 NZ LYS A 33 -8.777 -4.288 3.993 1.00 0.00 N ATOM 0 H LYS A 33 -11.457 -3.742 -1.486 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.734 -4.086 -0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.469 -4.185 0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.255 -5.059 1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.797 -2.869 1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.321 -2.098 0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.810 -1.980 2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.853 -3.731 2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.093 -2.548 2.953 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.041 -2.201 4.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.920 -4.361 4.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.604 -4.576 4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.686 -4.911 3.166 1.00 0.00 H new ATOM 554 N GLU A 34 -10.425 -6.912 -0.509 1.00 0.00 N ATOM 555 CA GLU A 34 -10.263 -8.397 -0.483 1.00 0.00 C ATOM 556 C GLU A 34 -9.616 -8.881 -1.791 1.00 0.00 C ATOM 557 O GLU A 34 -8.641 -9.595 -1.780 1.00 0.00 O ATOM 558 CB GLU A 34 -11.696 -8.962 -0.358 1.00 0.00 C ATOM 559 CG GLU A 34 -12.030 -9.305 1.105 1.00 0.00 C ATOM 560 CD GLU A 34 -11.913 -10.819 1.317 1.00 0.00 C ATOM 561 OE1 GLU A 34 -12.561 -11.548 0.586 1.00 0.00 O ATOM 562 OE2 GLU A 34 -11.175 -11.219 2.207 1.00 0.00 O ATOM 0 H GLU A 34 -11.384 -6.584 -0.392 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.623 -8.723 0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.412 -8.233 -0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.794 -9.855 -0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.351 -8.780 1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.039 -8.971 1.346 1.00 0.00 H new ATOM 569 N GLN A 35 -10.160 -8.503 -2.917 1.00 0.00 N ATOM 570 CA GLN A 35 -9.579 -8.956 -4.222 1.00 0.00 C ATOM 571 C GLN A 35 -8.124 -8.473 -4.383 1.00 0.00 C ATOM 572 O GLN A 35 -7.260 -9.236 -4.773 1.00 0.00 O ATOM 573 CB GLN A 35 -10.491 -8.362 -5.293 1.00 0.00 C ATOM 574 CG GLN A 35 -11.834 -9.107 -5.293 1.00 0.00 C ATOM 575 CD GLN A 35 -11.648 -10.542 -5.799 1.00 0.00 C ATOM 576 OE1 GLN A 35 -10.763 -10.814 -6.584 1.00 0.00 O ATOM 577 NE2 GLN A 35 -12.460 -11.476 -5.378 1.00 0.00 N ATOM 0 H GLN A 35 -10.980 -7.901 -2.993 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.535 -10.043 -4.292 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.652 -7.301 -5.101 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.019 -8.441 -6.272 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.250 -9.121 -4.285 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.549 -8.581 -5.926 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.203 -11.246 -4.718 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.350 -12.434 -5.709 1.00 0.00 H new ATOM 586 N LEU A 36 -7.838 -7.227 -4.081 1.00 0.00 N ATOM 587 CA LEU A 36 -6.424 -6.725 -4.204 1.00 0.00 C ATOM 588 C LEU A 36 -5.457 -7.744 -3.572 1.00 0.00 C ATOM 589 O LEU A 36 -4.394 -8.018 -4.093 1.00 0.00 O ATOM 590 CB LEU A 36 -6.401 -5.413 -3.411 1.00 0.00 C ATOM 591 CG LEU A 36 -6.293 -4.200 -4.355 1.00 0.00 C ATOM 592 CD1 LEU A 36 -5.018 -4.299 -5.193 1.00 0.00 C ATOM 593 CD2 LEU A 36 -7.506 -4.131 -5.294 1.00 0.00 C ATOM 0 H LEU A 36 -8.516 -6.537 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.119 -6.582 -5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.307 -5.331 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.559 -5.416 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.264 -3.298 -3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.951 -3.437 -5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.150 -4.318 -4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.043 -5.213 -5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.409 -3.267 -5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.554 -5.040 -5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.418 -4.037 -4.704 1.00 0.00 H new ATOM 605 N VAL A 37 -5.840 -8.309 -2.450 1.00 0.00 N ATOM 606 CA VAL A 37 -4.980 -9.327 -1.757 1.00 0.00 C ATOM 607 C VAL A 37 -4.642 -10.466 -2.722 1.00 0.00 C ATOM 608 O VAL A 37 -3.528 -10.944 -2.774 1.00 0.00 O ATOM 609 CB VAL A 37 -5.849 -9.845 -0.599 1.00 0.00 C ATOM 610 CG1 VAL A 37 -5.396 -11.247 -0.146 1.00 0.00 C ATOM 611 CG2 VAL A 37 -5.750 -8.870 0.576 1.00 0.00 C ATOM 0 H VAL A 37 -6.722 -8.107 -1.979 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.035 -8.911 -1.408 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.881 -9.917 -0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.029 -11.587 0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.478 -11.943 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.360 -11.204 0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.364 -9.231 1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.712 -8.796 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.103 -7.887 0.264 1.00 0.00 H new ATOM 621 N GLU A 38 -5.615 -10.907 -3.470 1.00 0.00 N ATOM 622 CA GLU A 38 -5.390 -12.026 -4.436 1.00 0.00 C ATOM 623 C GLU A 38 -4.371 -11.637 -5.515 1.00 0.00 C ATOM 624 O GLU A 38 -3.599 -12.456 -5.973 1.00 0.00 O ATOM 625 CB GLU A 38 -6.759 -12.279 -5.071 1.00 0.00 C ATOM 626 CG GLU A 38 -6.728 -13.585 -5.879 1.00 0.00 C ATOM 627 CD GLU A 38 -7.517 -13.416 -7.183 1.00 0.00 C ATOM 628 OE1 GLU A 38 -7.128 -12.582 -7.988 1.00 0.00 O ATOM 629 OE2 GLU A 38 -8.491 -14.133 -7.360 1.00 0.00 O ATOM 0 H GLU A 38 -6.566 -10.538 -3.455 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.988 -12.908 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.523 -12.339 -4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.028 -11.446 -5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.697 -13.860 -6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.154 -14.397 -5.289 1.00 0.00 H new ATOM 636 N MET A 39 -4.392 -10.404 -5.954 1.00 0.00 N ATOM 637 CA MET A 39 -3.453 -9.968 -7.034 1.00 0.00 C ATOM 638 C MET A 39 -1.993 -10.200 -6.617 1.00 0.00 C ATOM 639 O MET A 39 -1.242 -10.861 -7.308 1.00 0.00 O ATOM 640 CB MET A 39 -3.713 -8.466 -7.225 1.00 0.00 C ATOM 641 CG MET A 39 -4.676 -8.227 -8.395 1.00 0.00 C ATOM 642 SD MET A 39 -6.383 -8.273 -7.789 1.00 0.00 S ATOM 643 CE MET A 39 -7.175 -8.695 -9.358 1.00 0.00 C ATOM 0 H MET A 39 -5.021 -9.678 -5.610 1.00 0.00 H new ATOM 0 HA MET A 39 -3.615 -10.533 -7.952 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.132 -8.045 -6.311 1.00 0.00 H new ATOM 0 HB3 MET A 39 -2.771 -7.950 -7.411 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.469 -7.263 -8.859 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.530 -8.988 -9.162 1.00 0.00 H new ATOM 0 HE1 MET A 39 -8.252 -8.775 -9.212 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.965 -7.917 -10.092 1.00 0.00 H new ATOM 0 HE3 MET A 39 -6.786 -9.648 -9.717 1.00 0.00 H new ATOM 653 N THR A 40 -1.581 -9.648 -5.502 1.00 0.00 N ATOM 654 CA THR A 40 -0.157 -9.830 -5.059 1.00 0.00 C ATOM 655 C THR A 40 -0.045 -10.842 -3.915 1.00 0.00 C ATOM 656 O THR A 40 1.035 -11.280 -3.562 1.00 0.00 O ATOM 657 CB THR A 40 0.315 -8.459 -4.582 1.00 0.00 C ATOM 658 OG1 THR A 40 1.553 -8.626 -3.905 1.00 0.00 O ATOM 659 CG2 THR A 40 -0.714 -7.839 -3.628 1.00 0.00 C ATOM 0 H THR A 40 -2.161 -9.083 -4.882 1.00 0.00 H new ATOM 0 HA THR A 40 0.449 -10.215 -5.879 1.00 0.00 H new ATOM 0 HB THR A 40 0.433 -7.794 -5.437 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.280 -8.675 -4.560 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.361 -6.862 -3.298 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.667 -7.725 -4.145 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.846 -8.489 -2.763 1.00 0.00 H new ATOM 667 N GLY A 41 -1.149 -11.218 -3.343 1.00 0.00 N ATOM 668 CA GLY A 41 -1.128 -12.204 -2.224 1.00 0.00 C ATOM 669 C GLY A 41 -0.508 -11.597 -0.952 1.00 0.00 C ATOM 670 O GLY A 41 -0.339 -12.284 0.039 1.00 0.00 O ATOM 0 H GLY A 41 -2.077 -10.883 -3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.144 -12.538 -2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.559 -13.084 -2.523 1.00 0.00 H new ATOM 674 N LEU A 42 -0.163 -10.328 -0.956 1.00 0.00 N ATOM 675 CA LEU A 42 0.438 -9.714 0.275 1.00 0.00 C ATOM 676 C LEU A 42 -0.660 -9.453 1.325 1.00 0.00 C ATOM 677 O LEU A 42 -1.837 -9.484 1.024 1.00 0.00 O ATOM 678 CB LEU A 42 1.124 -8.410 -0.207 1.00 0.00 C ATOM 679 CG LEU A 42 0.307 -7.156 0.158 1.00 0.00 C ATOM 680 CD1 LEU A 42 0.994 -5.912 -0.420 1.00 0.00 C ATOM 681 CD2 LEU A 42 -1.106 -7.262 -0.423 1.00 0.00 C ATOM 0 H LEU A 42 -0.270 -9.697 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 42 1.164 -10.365 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.117 -8.337 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.261 -8.451 -1.288 1.00 0.00 H new ATOM 0 HG LEU A 42 0.246 -7.077 1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.416 -5.024 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.998 -5.825 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.056 -6.002 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.676 -6.371 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.048 -7.348 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.602 -8.143 -0.016 1.00 0.00 H new ATOM 693 N SER A 43 -0.282 -9.209 2.555 1.00 0.00 N ATOM 694 CA SER A 43 -1.298 -8.953 3.629 1.00 0.00 C ATOM 695 C SER A 43 -1.936 -7.563 3.442 1.00 0.00 C ATOM 696 O SER A 43 -1.442 -6.767 2.668 1.00 0.00 O ATOM 697 CB SER A 43 -0.496 -9.025 4.935 1.00 0.00 C ATOM 698 OG SER A 43 -1.228 -9.757 5.912 1.00 0.00 O ATOM 0 H SER A 43 0.689 -9.175 2.865 1.00 0.00 H new ATOM 0 HA SER A 43 -2.120 -9.669 3.614 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.467 -9.503 4.755 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.289 -8.019 5.301 1.00 0.00 H new ATOM 0 HG SER A 43 -0.711 -9.801 6.743 1.00 0.00 H new ATOM 704 N PRO A 44 -3.009 -7.303 4.164 1.00 0.00 N ATOM 705 CA PRO A 44 -3.685 -5.983 4.059 1.00 0.00 C ATOM 706 C PRO A 44 -2.805 -4.908 4.700 1.00 0.00 C ATOM 707 O PRO A 44 -2.953 -3.728 4.446 1.00 0.00 O ATOM 708 CB PRO A 44 -4.974 -6.172 4.862 1.00 0.00 C ATOM 709 CG PRO A 44 -4.652 -7.259 5.830 1.00 0.00 C ATOM 710 CD PRO A 44 -3.683 -8.179 5.133 1.00 0.00 C ATOM 0 HA PRO A 44 -3.875 -5.670 3.032 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.260 -5.254 5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.807 -6.449 4.216 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.213 -6.850 6.740 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.554 -7.796 6.124 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.975 -8.621 5.834 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.198 -9.003 4.638 1.00 0.00 H new ATOM 718 N ARG A 45 -1.889 -5.316 5.538 1.00 0.00 N ATOM 719 CA ARG A 45 -0.995 -4.334 6.207 1.00 0.00 C ATOM 720 C ARG A 45 -0.308 -3.427 5.181 1.00 0.00 C ATOM 721 O ARG A 45 -0.516 -2.231 5.162 1.00 0.00 O ATOM 722 CB ARG A 45 0.034 -5.176 6.973 1.00 0.00 C ATOM 723 CG ARG A 45 -0.518 -5.501 8.372 1.00 0.00 C ATOM 724 CD ARG A 45 -0.584 -7.020 8.575 1.00 0.00 C ATOM 725 NE ARG A 45 -1.288 -7.208 9.884 1.00 0.00 N ATOM 726 CZ ARG A 45 -1.123 -8.316 10.565 1.00 0.00 C ATOM 727 NH1 ARG A 45 -1.048 -9.458 9.938 1.00 0.00 N ATOM 728 NH2 ARG A 45 -1.044 -8.288 11.870 1.00 0.00 N ATOM 0 H ARG A 45 -1.723 -6.291 5.787 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.550 -3.672 6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.245 -6.097 6.429 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.975 -4.633 7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.118 -5.052 9.135 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.511 -5.068 8.489 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.127 -7.503 7.762 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.414 -7.459 8.597 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.896 -6.473 10.246 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.118 -9.487 8.921 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.920 -10.322 10.465 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.111 -7.399 12.366 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.916 -9.155 12.392 1.00 0.00 H new ATOM 742 N VAL A 46 0.516 -3.985 4.336 1.00 0.00 N ATOM 743 CA VAL A 46 1.229 -3.146 3.324 1.00 0.00 C ATOM 744 C VAL A 46 0.224 -2.362 2.471 1.00 0.00 C ATOM 745 O VAL A 46 0.457 -1.223 2.122 1.00 0.00 O ATOM 746 CB VAL A 46 2.024 -4.139 2.474 1.00 0.00 C ATOM 747 CG1 VAL A 46 2.464 -3.465 1.169 1.00 0.00 C ATOM 748 CG2 VAL A 46 3.259 -4.581 3.261 1.00 0.00 C ATOM 0 H VAL A 46 0.727 -4.982 4.301 1.00 0.00 H new ATOM 0 HA VAL A 46 1.880 -2.404 3.786 1.00 0.00 H new ATOM 0 HB VAL A 46 1.403 -5.003 2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.030 -4.175 0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.585 -3.137 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.090 -2.603 1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.835 -5.290 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.876 -3.712 3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.947 -5.057 4.191 1.00 0.00 H new ATOM 758 N ILE A 47 -0.889 -2.959 2.151 1.00 0.00 N ATOM 759 CA ILE A 47 -1.915 -2.247 1.336 1.00 0.00 C ATOM 760 C ILE A 47 -2.316 -0.938 2.024 1.00 0.00 C ATOM 761 O ILE A 47 -2.329 0.118 1.429 1.00 0.00 O ATOM 762 CB ILE A 47 -3.122 -3.187 1.311 1.00 0.00 C ATOM 763 CG1 ILE A 47 -2.886 -4.320 0.311 1.00 0.00 C ATOM 764 CG2 ILE A 47 -4.364 -2.390 0.899 1.00 0.00 C ATOM 765 CD1 ILE A 47 -3.020 -3.784 -1.116 1.00 0.00 C ATOM 0 H ILE A 47 -1.134 -3.912 2.419 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.546 -2.005 0.339 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.267 -3.617 2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.894 -4.747 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.606 -5.121 0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.230 -3.051 0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.537 -1.588 1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.210 -1.963 -0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.851 -4.594 -1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.021 -3.378 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.283 -2.998 -1.280 1.00 0.00 H new ATOM 777 N ARG A 48 -2.673 -1.025 3.274 1.00 0.00 N ATOM 778 CA ARG A 48 -3.110 0.187 4.025 1.00 0.00 C ATOM 779 C ARG A 48 -2.076 1.313 3.903 1.00 0.00 C ATOM 780 O ARG A 48 -2.324 2.336 3.297 1.00 0.00 O ATOM 781 CB ARG A 48 -3.242 -0.275 5.487 1.00 0.00 C ATOM 782 CG ARG A 48 -4.716 -0.246 5.915 1.00 0.00 C ATOM 783 CD ARG A 48 -4.861 0.511 7.245 1.00 0.00 C ATOM 784 NE ARG A 48 -5.613 -0.424 8.134 1.00 0.00 N ATOM 785 CZ ARG A 48 -6.289 0.027 9.158 1.00 0.00 C ATOM 786 NH1 ARG A 48 -5.685 0.691 10.108 1.00 0.00 N ATOM 787 NH2 ARG A 48 -7.573 -0.198 9.238 1.00 0.00 N ATOM 0 H ARG A 48 -2.681 -1.891 3.813 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.045 0.589 3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.843 -1.283 5.596 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.653 0.373 6.136 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.318 0.236 5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.092 -1.263 6.023 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.887 0.761 7.666 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.400 1.449 7.110 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.599 -1.425 7.940 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.681 0.860 10.053 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.218 1.040 10.904 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.045 -0.724 8.503 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.103 0.152 10.036 1.00 0.00 H new ATOM 801 N VAL A 49 -0.933 1.138 4.508 1.00 0.00 N ATOM 802 CA VAL A 49 0.120 2.200 4.476 1.00 0.00 C ATOM 803 C VAL A 49 0.620 2.505 3.058 1.00 0.00 C ATOM 804 O VAL A 49 0.980 3.626 2.762 1.00 0.00 O ATOM 805 CB VAL A 49 1.261 1.662 5.361 1.00 0.00 C ATOM 806 CG1 VAL A 49 1.795 0.333 4.816 1.00 0.00 C ATOM 807 CG2 VAL A 49 2.415 2.665 5.401 1.00 0.00 C ATOM 0 H VAL A 49 -0.679 0.298 5.028 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.279 3.148 4.838 1.00 0.00 H new ATOM 0 HB VAL A 49 0.859 1.509 6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.599 -0.026 5.458 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.990 -0.402 4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.176 0.481 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.215 2.274 6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.792 2.826 4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.061 3.611 5.811 1.00 0.00 H new ATOM 817 N TRP A 50 0.683 1.537 2.186 1.00 0.00 N ATOM 818 CA TRP A 50 1.216 1.819 0.819 1.00 0.00 C ATOM 819 C TRP A 50 0.491 3.002 0.157 1.00 0.00 C ATOM 820 O TRP A 50 1.108 3.997 -0.182 1.00 0.00 O ATOM 821 CB TRP A 50 1.017 0.529 0.023 1.00 0.00 C ATOM 822 CG TRP A 50 1.580 0.724 -1.348 1.00 0.00 C ATOM 823 CD1 TRP A 50 2.893 0.695 -1.655 1.00 0.00 C ATOM 824 CD2 TRP A 50 0.876 0.999 -2.591 1.00 0.00 C ATOM 825 NE1 TRP A 50 3.042 0.946 -3.007 1.00 0.00 N ATOM 826 CE2 TRP A 50 1.823 1.139 -3.627 1.00 0.00 C ATOM 827 CE3 TRP A 50 -0.479 1.138 -2.913 1.00 0.00 C ATOM 828 CZ2 TRP A 50 1.434 1.419 -4.939 1.00 0.00 C ATOM 829 CZ3 TRP A 50 -0.874 1.418 -4.233 1.00 0.00 C ATOM 830 CH2 TRP A 50 0.081 1.558 -5.242 1.00 0.00 C ATOM 0 H TRP A 50 0.393 0.574 2.355 1.00 0.00 H new ATOM 0 HA TRP A 50 2.266 2.107 0.859 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.514 -0.304 0.521 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.043 0.280 -0.035 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.697 0.507 -0.959 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.941 0.984 -3.487 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -1.227 1.029 -2.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 2.178 1.527 -5.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -1.923 1.525 -4.468 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.228 1.773 -6.254 1.00 0.00 H new ATOM 841 N PHE A 51 -0.798 2.908 -0.036 1.00 0.00 N ATOM 842 CA PHE A 51 -1.542 4.036 -0.685 1.00 0.00 C ATOM 843 C PHE A 51 -1.205 5.378 -0.023 1.00 0.00 C ATOM 844 O PHE A 51 -0.923 6.358 -0.692 1.00 0.00 O ATOM 845 CB PHE A 51 -3.021 3.701 -0.494 1.00 0.00 C ATOM 846 CG PHE A 51 -3.430 2.758 -1.594 1.00 0.00 C ATOM 847 CD1 PHE A 51 -3.893 3.278 -2.801 1.00 0.00 C ATOM 848 CD2 PHE A 51 -3.310 1.373 -1.425 1.00 0.00 C ATOM 849 CE1 PHE A 51 -4.225 2.422 -3.852 1.00 0.00 C ATOM 850 CE2 PHE A 51 -3.629 0.510 -2.482 1.00 0.00 C ATOM 851 CZ PHE A 51 -4.095 1.038 -3.694 1.00 0.00 C ATOM 0 H PHE A 51 -1.369 2.104 0.225 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.275 4.139 -1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.185 3.243 0.481 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.624 4.608 -0.526 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.995 4.346 -2.923 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.972 0.971 -0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.582 2.828 -4.787 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.516 -0.558 -2.363 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.354 0.376 -4.507 1.00 0.00 H new ATOM 861 N GLN A 52 -1.239 5.427 1.288 1.00 0.00 N ATOM 862 CA GLN A 52 -0.924 6.698 2.014 1.00 0.00 C ATOM 863 C GLN A 52 0.381 7.302 1.487 1.00 0.00 C ATOM 864 O GLN A 52 0.421 8.421 1.015 1.00 0.00 O ATOM 865 CB GLN A 52 -0.741 6.305 3.486 1.00 0.00 C ATOM 866 CG GLN A 52 -1.135 7.486 4.385 1.00 0.00 C ATOM 867 CD GLN A 52 -0.200 7.548 5.598 1.00 0.00 C ATOM 868 OE1 GLN A 52 0.238 6.528 6.094 1.00 0.00 O ATOM 869 NE2 GLN A 52 0.117 8.709 6.111 1.00 0.00 N ATOM 0 H GLN A 52 -1.473 4.637 1.889 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.714 7.436 1.879 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.355 5.435 3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.295 6.023 3.672 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.079 8.418 3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.168 7.375 4.715 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.249 9.566 5.697 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.730 8.757 6.925 1.00 0.00 H new ATOM 878 N ASN A 53 1.449 6.555 1.593 1.00 0.00 N ATOM 879 CA ASN A 53 2.786 7.036 1.135 1.00 0.00 C ATOM 880 C ASN A 53 2.741 7.600 -0.288 1.00 0.00 C ATOM 881 O ASN A 53 3.188 8.703 -0.532 1.00 0.00 O ATOM 882 CB ASN A 53 3.690 5.802 1.201 1.00 0.00 C ATOM 883 CG ASN A 53 4.590 5.902 2.433 1.00 0.00 C ATOM 884 OD1 ASN A 53 5.761 6.213 2.323 1.00 0.00 O ATOM 885 ND2 ASN A 53 4.086 5.663 3.615 1.00 0.00 N ATOM 0 H ASN A 53 1.450 5.614 1.985 1.00 0.00 H new ATOM 0 HA ASN A 53 3.146 7.854 1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.086 4.896 1.250 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.296 5.732 0.298 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.674 5.737 4.445 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.104 5.402 3.708 1.00 0.00 H new ATOM 892 N LYS A 54 2.220 6.861 -1.234 1.00 0.00 N ATOM 893 CA LYS A 54 2.169 7.382 -2.634 1.00 0.00 C ATOM 894 C LYS A 54 1.561 8.793 -2.658 1.00 0.00 C ATOM 895 O LYS A 54 2.103 9.704 -3.253 1.00 0.00 O ATOM 896 CB LYS A 54 1.275 6.408 -3.404 1.00 0.00 C ATOM 897 CG LYS A 54 2.080 5.184 -3.868 1.00 0.00 C ATOM 898 CD LYS A 54 3.037 5.589 -4.995 1.00 0.00 C ATOM 899 CE LYS A 54 4.301 4.717 -4.946 1.00 0.00 C ATOM 900 NZ LYS A 54 5.358 5.514 -5.633 1.00 0.00 N ATOM 0 H LYS A 54 1.831 5.928 -1.100 1.00 0.00 H new ATOM 0 HA LYS A 54 3.164 7.452 -3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.448 6.087 -2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.839 6.911 -4.267 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.643 4.769 -3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.404 4.403 -4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.544 5.476 -5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.306 6.641 -4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.584 4.493 -3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.140 3.763 -5.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.249 4.978 -5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.066 5.707 -6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.497 6.414 -5.130 1.00 0.00 H new ATOM 914 N ARG A 55 0.427 8.971 -2.026 1.00 0.00 N ATOM 915 CA ARG A 55 -0.242 10.311 -2.017 1.00 0.00 C ATOM 916 C ARG A 55 0.742 11.438 -1.681 1.00 0.00 C ATOM 917 O ARG A 55 0.696 12.500 -2.267 1.00 0.00 O ATOM 918 CB ARG A 55 -1.316 10.229 -0.927 1.00 0.00 C ATOM 919 CG ARG A 55 -2.708 10.340 -1.556 1.00 0.00 C ATOM 920 CD ARG A 55 -3.513 9.085 -1.224 1.00 0.00 C ATOM 921 NE ARG A 55 -4.913 9.427 -1.603 1.00 0.00 N ATOM 922 CZ ARG A 55 -5.835 9.545 -0.685 1.00 0.00 C ATOM 923 NH1 ARG A 55 -5.531 10.062 0.475 1.00 0.00 N ATOM 924 NH2 ARG A 55 -7.057 9.142 -0.927 1.00 0.00 N ATOM 0 H ARG A 55 -0.068 8.242 -1.513 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.654 10.538 -3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.226 9.287 -0.386 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.171 11.029 -0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.221 11.225 -1.179 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -2.623 10.457 -2.636 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.150 8.222 -1.782 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.438 8.834 -0.166 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.153 9.570 -2.584 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.577 10.372 0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.247 10.156 1.195 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.290 8.735 -1.833 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.776 9.235 -0.210 1.00 0.00 H new ATOM 938 N CYS A 56 1.613 11.231 -0.726 1.00 0.00 N ATOM 939 CA CYS A 56 2.570 12.317 -0.350 1.00 0.00 C ATOM 940 C CYS A 56 3.331 12.831 -1.577 1.00 0.00 C ATOM 941 O CYS A 56 3.391 14.020 -1.819 1.00 0.00 O ATOM 942 CB CYS A 56 3.532 11.684 0.657 1.00 0.00 C ATOM 943 SG CYS A 56 4.605 12.967 1.354 1.00 0.00 S ATOM 0 H CYS A 56 1.703 10.365 -0.194 1.00 0.00 H new ATOM 0 HA CYS A 56 2.051 13.178 0.071 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.972 11.192 1.452 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.134 10.917 0.169 1.00 0.00 H new ATOM 0 HG CYS A 56 5.422 12.431 2.212 1.00 0.00 H new ATOM 949 N LYS A 57 3.919 11.958 -2.352 1.00 0.00 N ATOM 950 CA LYS A 57 4.673 12.431 -3.554 1.00 0.00 C ATOM 951 C LYS A 57 3.714 13.040 -4.577 1.00 0.00 C ATOM 952 O LYS A 57 4.041 14.002 -5.239 1.00 0.00 O ATOM 953 CB LYS A 57 5.366 11.198 -4.140 1.00 0.00 C ATOM 954 CG LYS A 57 6.280 11.625 -5.296 1.00 0.00 C ATOM 955 CD LYS A 57 6.813 10.376 -6.002 1.00 0.00 C ATOM 956 CE LYS A 57 8.045 9.852 -5.258 1.00 0.00 C ATOM 957 NZ LYS A 57 8.199 8.434 -5.703 1.00 0.00 N ATOM 0 H LYS A 57 3.912 10.948 -2.209 1.00 0.00 H new ATOM 0 HA LYS A 57 5.397 13.202 -3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.949 10.694 -3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.623 10.484 -4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.729 12.248 -6.000 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.108 12.225 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.041 9.607 -6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.072 10.612 -7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.931 10.439 -5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.908 9.913 -4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.025 8.010 -5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.345 7.897 -5.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.335 8.406 -6.734 1.00 0.00 H new ATOM 971 N ASP A 58 2.534 12.491 -4.714 1.00 0.00 N ATOM 972 CA ASP A 58 1.568 13.055 -5.706 1.00 0.00 C ATOM 973 C ASP A 58 1.215 14.501 -5.335 1.00 0.00 C ATOM 974 O ASP A 58 1.055 15.343 -6.196 1.00 0.00 O ATOM 975 CB ASP A 58 0.327 12.158 -5.625 1.00 0.00 C ATOM 976 CG ASP A 58 -0.597 12.452 -6.810 1.00 0.00 C ATOM 977 OD1 ASP A 58 -0.148 12.308 -7.937 1.00 0.00 O ATOM 978 OD2 ASP A 58 -1.735 12.817 -6.572 1.00 0.00 O ATOM 0 H ASP A 58 2.199 11.684 -4.188 1.00 0.00 H new ATOM 0 HA ASP A 58 1.982 13.076 -6.714 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.623 11.109 -5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.200 12.333 -4.687 1.00 0.00 H new ATOM 983 N LYS A 59 1.090 14.783 -4.056 1.00 0.00 N ATOM 984 CA LYS A 59 0.741 16.170 -3.583 1.00 0.00 C ATOM 985 C LYS A 59 -0.014 16.966 -4.659 1.00 0.00 C ATOM 986 O LYS A 59 0.419 18.023 -5.066 1.00 0.00 O ATOM 987 CB LYS A 59 2.087 16.841 -3.280 1.00 0.00 C ATOM 988 CG LYS A 59 2.128 17.307 -1.819 1.00 0.00 C ATOM 989 CD LYS A 59 1.547 18.725 -1.702 1.00 0.00 C ATOM 990 CE LYS A 59 0.098 18.648 -1.209 1.00 0.00 C ATOM 991 NZ LYS A 59 -0.408 20.052 -1.240 1.00 0.00 N ATOM 0 H LYS A 59 1.217 14.102 -3.307 1.00 0.00 H new ATOM 0 HA LYS A 59 0.084 16.133 -2.714 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.901 16.142 -3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.236 17.692 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.559 16.619 -1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.155 17.295 -1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.146 19.318 -1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.587 19.226 -2.669 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.501 18.001 -1.850 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.047 18.235 -0.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.395 20.072 -0.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.175 20.645 -0.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.356 20.418 -2.212 1.00 0.00 H new ATOM 1005 N LYS A 60 -1.137 16.469 -5.111 1.00 0.00 N ATOM 1006 CA LYS A 60 -1.934 17.197 -6.156 1.00 0.00 C ATOM 1007 C LYS A 60 -1.020 17.832 -7.225 1.00 0.00 C ATOM 1008 O LYS A 60 -0.464 18.896 -7.021 1.00 0.00 O ATOM 1009 CB LYS A 60 -2.676 18.281 -5.370 1.00 0.00 C ATOM 1010 CG LYS A 60 -3.846 18.825 -6.196 1.00 0.00 C ATOM 1011 CD LYS A 60 -5.133 18.742 -5.373 1.00 0.00 C ATOM 1012 CE LYS A 60 -5.025 19.699 -4.180 1.00 0.00 C ATOM 1013 NZ LYS A 60 -4.903 21.067 -4.772 1.00 0.00 N ATOM 0 H LYS A 60 -1.542 15.585 -4.802 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.604 16.530 -6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.045 17.871 -4.430 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.991 19.091 -5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.652 19.858 -6.485 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.953 18.252 -7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.992 19.005 -5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.292 17.722 -5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.903 19.626 -3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.159 19.460 -3.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.478 21.736 -4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.907 21.367 -4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.239 21.051 -5.756 1.00 0.00 H new ATOM 1027 N ARG A 61 -0.854 17.195 -8.361 1.00 0.00 N ATOM 1028 CA ARG A 61 0.029 17.777 -9.421 1.00 0.00 C ATOM 1029 C ARG A 61 -0.790 18.183 -10.654 1.00 0.00 C ATOM 1030 O ARG A 61 -0.416 19.079 -11.386 1.00 0.00 O ATOM 1031 CB ARG A 61 1.018 16.664 -9.775 1.00 0.00 C ATOM 1032 CG ARG A 61 2.361 17.273 -10.199 1.00 0.00 C ATOM 1033 CD ARG A 61 3.373 16.147 -10.463 1.00 0.00 C ATOM 1034 NE ARG A 61 4.674 16.842 -10.687 1.00 0.00 N ATOM 1035 CZ ARG A 61 5.746 16.151 -10.968 1.00 0.00 C ATOM 1036 NH1 ARG A 61 6.190 15.247 -10.132 1.00 0.00 N ATOM 1037 NH2 ARG A 61 6.390 16.379 -12.076 1.00 0.00 N ATOM 0 H ARG A 61 -1.289 16.303 -8.598 1.00 0.00 H new ATOM 0 HA ARG A 61 0.534 18.679 -9.075 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.162 16.007 -8.917 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.616 16.051 -10.582 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.231 17.878 -11.097 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.734 17.936 -9.419 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.432 15.463 -9.617 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.087 15.555 -11.332 1.00 0.00 H new ATOM 0 HE ARG A 61 4.726 17.858 -10.621 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.698 15.078 -9.254 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.028 14.711 -10.358 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.057 17.095 -12.721 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.228 15.841 -12.299 1.00 0.00 H new ATOM 1051 N SER A 62 -1.901 17.535 -10.899 1.00 0.00 N ATOM 1052 CA SER A 62 -2.720 17.897 -12.093 1.00 0.00 C ATOM 1053 C SER A 62 -3.497 19.184 -11.842 1.00 0.00 C ATOM 1054 O SER A 62 -3.687 19.604 -10.720 1.00 0.00 O ATOM 1055 CB SER A 62 -3.691 16.735 -12.305 1.00 0.00 C ATOM 1056 OG SER A 62 -3.068 15.745 -13.108 1.00 0.00 O ATOM 0 H SER A 62 -2.273 16.776 -10.328 1.00 0.00 H new ATOM 0 HA SER A 62 -2.090 18.064 -12.966 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.983 16.310 -11.345 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.602 17.090 -12.787 1.00 0.00 H new ATOM 0 HG SER A 62 -3.687 14.998 -13.245 1.00 0.00 H new ATOM 1062 N ILE A 63 -3.955 19.800 -12.892 1.00 0.00 N ATOM 1063 CA ILE A 63 -4.741 21.055 -12.747 1.00 0.00 C ATOM 1064 C ILE A 63 -6.233 20.720 -12.745 1.00 0.00 C ATOM 1065 O ILE A 63 -7.072 21.582 -12.575 1.00 0.00 O ATOM 1066 CB ILE A 63 -4.387 21.900 -13.980 1.00 0.00 C ATOM 1067 CG1 ILE A 63 -2.886 22.220 -13.990 1.00 0.00 C ATOM 1068 CG2 ILE A 63 -5.187 23.205 -13.973 1.00 0.00 C ATOM 1069 CD1 ILE A 63 -2.517 23.143 -12.818 1.00 0.00 C ATOM 0 H ILE A 63 -3.818 19.486 -13.853 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.517 21.583 -11.820 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.638 21.329 -14.874 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.312 21.296 -13.925 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.617 22.697 -14.933 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.928 23.796 -14.852 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.253 22.978 -13.990 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.951 23.772 -13.072 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.448 23.356 -12.845 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.075 24.076 -12.900 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.765 22.653 -11.877 1.00 0.00 H new ATOM 1081 N MET A 64 -6.572 19.468 -12.938 1.00 0.00 N ATOM 1082 CA MET A 64 -8.011 19.072 -12.956 1.00 0.00 C ATOM 1083 C MET A 64 -8.733 19.869 -14.040 1.00 0.00 C ATOM 1084 O MET A 64 -9.339 20.888 -13.777 1.00 0.00 O ATOM 1085 CB MET A 64 -8.546 19.435 -11.568 1.00 0.00 C ATOM 1086 CG MET A 64 -9.291 18.241 -10.959 1.00 0.00 C ATOM 1087 SD MET A 64 -8.166 17.305 -9.892 1.00 0.00 S ATOM 1088 CE MET A 64 -7.332 16.363 -11.188 1.00 0.00 C ATOM 0 H MET A 64 -5.912 18.704 -13.084 1.00 0.00 H new ATOM 0 HA MET A 64 -8.158 18.014 -13.172 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.722 19.729 -10.918 1.00 0.00 H new ATOM 0 HB3 MET A 64 -9.216 20.292 -11.641 1.00 0.00 H new ATOM 0 HG2 MET A 64 -10.149 18.589 -10.384 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.677 17.598 -11.750 1.00 0.00 H new ATOM 0 HE1 MET A 64 -6.830 15.502 -10.746 1.00 0.00 H new ATOM 0 HE2 MET A 64 -8.065 16.020 -11.918 1.00 0.00 H new ATOM 0 HE3 MET A 64 -6.597 16.997 -11.683 1.00 0.00 H new ATOM 1098 N MET A 65 -8.662 19.420 -15.256 1.00 0.00 N ATOM 1099 CA MET A 65 -9.335 20.155 -16.359 1.00 0.00 C ATOM 1100 C MET A 65 -10.043 19.166 -17.279 1.00 0.00 C ATOM 1101 O MET A 65 -10.108 19.352 -18.481 1.00 0.00 O ATOM 1102 CB MET A 65 -8.205 20.871 -17.095 1.00 0.00 C ATOM 1103 CG MET A 65 -7.202 19.840 -17.619 1.00 0.00 C ATOM 1104 SD MET A 65 -5.827 20.689 -18.429 1.00 0.00 S ATOM 1105 CE MET A 65 -6.791 21.416 -19.776 1.00 0.00 C ATOM 0 H MET A 65 -8.166 18.574 -15.537 1.00 0.00 H new ATOM 0 HA MET A 65 -10.091 20.855 -16.003 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.608 21.455 -17.923 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.706 21.571 -16.425 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.831 19.228 -16.797 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.692 19.166 -18.322 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.199 21.410 -20.691 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.700 20.834 -19.928 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.055 22.442 -19.522 1.00 0.00 H new ATOM 1115 N LYS A 66 -10.561 18.108 -16.717 1.00 0.00 N ATOM 1116 CA LYS A 66 -11.266 17.089 -17.544 1.00 0.00 C ATOM 1117 C LYS A 66 -12.528 17.703 -18.160 1.00 0.00 C ATOM 1118 O LYS A 66 -13.138 18.586 -17.588 1.00 0.00 O ATOM 1119 CB LYS A 66 -11.639 15.956 -16.578 1.00 0.00 C ATOM 1120 CG LYS A 66 -10.377 15.414 -15.891 1.00 0.00 C ATOM 1121 CD LYS A 66 -9.914 14.128 -16.590 1.00 0.00 C ATOM 1122 CE LYS A 66 -8.407 14.203 -16.862 1.00 0.00 C ATOM 1123 NZ LYS A 66 -8.239 13.765 -18.280 1.00 0.00 N ATOM 0 H LYS A 66 -10.526 17.905 -15.718 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.645 16.726 -18.363 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.342 16.322 -15.829 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.140 15.155 -17.121 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.585 16.162 -15.924 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.582 15.213 -14.840 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.138 13.263 -15.967 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.456 13.996 -17.526 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.031 15.216 -16.716 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.852 13.556 -16.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.231 13.792 -18.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.598 12.795 -18.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.771 14.403 -18.906 1.00 0.00 H new TER 1137 LYS A 66