USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 676 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 0 MET CE :methyl 175:sc= 0 (180deg=-0.0457) USER MOD Single : A 0 MET N :NH3+ -114:sc= 0.144 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -132:sc= 1.16 (180deg=0.715) USER MOD Single : A 4 LYS NZ :NH3+ -171:sc=-0.00233 (180deg=-0.0451) USER MOD Single : A 9 THR OG1 : rot -5:sc= -0.232 USER MOD Single : A 10 SER OG : rot 173:sc= 0 USER MOD Single : A 12 MET CE :methyl -168:sc= -0.0166 (180deg=-0.226) USER MOD Single : A 13 CYS SG : rot 180:sc= -0.0051 USER MOD Single : A 15 HIS : no HD1:sc= -0.031 X(o=-0.031,f=-0.19) USER MOD Single : A 16 CYS SG : rot 71:sc= 0.445 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0184 K(o=-0.018,f=-1.2!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.949 K(o=0.95,f=-1.8!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 1.26 (180deg=0.936) USER MOD Single : A 49 MET CE :methyl 176:sc= 0 (180deg=-0.026) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -167:sc= 0 (180deg=-0.33) USER MOD Single : A 58 THR OG1 : rot -63:sc= 0.0466 USER MOD Single : A 62 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.2) USER MOD Single : A 72 THR OG1 : rot 50:sc= 1.24 USER MOD Single : A 73 LYS NZ :NH3+ -129:sc= -3.32! (180deg=-5.19!) USER MOD Single : A 81 LYS NZ :NH3+ 150:sc= 2.44 (180deg=1.16) USER MOD Single : A 82 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 2.973 -4.618 14.883 1.00 0.00 N ATOM 2 CA MET A 0 4.431 -4.745 14.743 1.00 0.00 C ATOM 3 C MET A 0 4.755 -6.130 14.193 1.00 0.00 C ATOM 4 O MET A 0 3.931 -7.034 14.327 1.00 0.00 O ATOM 5 CB MET A 0 5.130 -4.460 16.081 1.00 0.00 C ATOM 6 CG MET A 0 6.616 -4.163 15.886 1.00 0.00 C ATOM 7 SD MET A 0 6.984 -2.804 14.745 1.00 0.00 S ATOM 8 CE MET A 0 6.434 -1.420 15.772 1.00 0.00 C ATOM 0 H1 MET A 0 2.622 -3.898 14.220 1.00 0.00 H new ATOM 0 H2 MET A 0 2.523 -5.532 14.672 1.00 0.00 H new ATOM 0 H3 MET A 0 2.741 -4.335 15.856 1.00 0.00 H new ATOM 0 HA MET A 0 4.808 -4.004 14.038 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.650 -3.612 16.570 1.00 0.00 H new ATOM 0 HB3 MET A 0 5.013 -5.318 16.743 1.00 0.00 H new ATOM 0 HG2 MET A 0 7.055 -3.931 16.856 1.00 0.00 H new ATOM 0 HG3 MET A 0 7.106 -5.066 15.522 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.665 -0.480 15.270 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.358 -1.491 15.933 1.00 0.00 H new ATOM 0 HE3 MET A 0 6.947 -1.454 16.733 1.00 0.00 H new ATOM 20 N SER A 1 5.922 -6.313 13.567 1.00 0.00 N ATOM 21 CA SER A 1 6.351 -7.576 12.968 1.00 0.00 C ATOM 22 C SER A 1 5.260 -8.195 12.083 1.00 0.00 C ATOM 23 O SER A 1 4.977 -9.392 12.190 1.00 0.00 O ATOM 24 CB SER A 1 6.871 -8.515 14.067 1.00 0.00 C ATOM 25 OG SER A 1 7.932 -7.891 14.773 1.00 0.00 O ATOM 0 H SER A 1 6.610 -5.567 13.461 1.00 0.00 H new ATOM 0 HA SER A 1 7.180 -7.388 12.285 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.064 -8.767 14.755 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.217 -9.450 13.625 1.00 0.00 H new ATOM 0 HG SER A 1 8.258 -8.494 15.473 1.00 0.00 H new ATOM 31 N LYS A 2 4.636 -7.389 11.216 1.00 0.00 N ATOM 32 CA LYS A 2 3.565 -7.829 10.324 1.00 0.00 C ATOM 33 C LYS A 2 3.698 -7.139 8.961 1.00 0.00 C ATOM 34 O LYS A 2 4.308 -6.065 8.898 1.00 0.00 O ATOM 35 CB LYS A 2 2.213 -7.685 11.036 1.00 0.00 C ATOM 36 CG LYS A 2 1.621 -6.276 10.969 1.00 0.00 C ATOM 37 CD LYS A 2 0.195 -6.211 11.548 1.00 0.00 C ATOM 38 CE LYS A 2 -0.755 -6.897 10.559 1.00 0.00 C ATOM 39 NZ LYS A 2 -2.151 -7.038 11.009 1.00 0.00 N ATOM 0 H LYS A 2 4.866 -6.400 11.115 1.00 0.00 H new ATOM 0 HA LYS A 2 3.642 -8.891 10.091 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.505 -8.387 10.595 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.333 -7.968 12.082 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.265 -5.588 11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.605 -5.940 9.932 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.156 -6.706 12.518 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.104 -5.175 11.706 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.748 -6.333 9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.363 -7.889 10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.472 -8.013 10.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.212 -6.820 12.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.755 -6.380 10.477 1.00 0.00 H new ATOM 53 N VAL A 3 3.155 -7.704 7.877 1.00 0.00 N ATOM 54 CA VAL A 3 3.234 -7.057 6.564 1.00 0.00 C ATOM 55 C VAL A 3 2.415 -5.760 6.610 1.00 0.00 C ATOM 56 O VAL A 3 1.267 -5.768 7.051 1.00 0.00 O ATOM 57 CB VAL A 3 2.742 -8.034 5.477 1.00 0.00 C ATOM 58 CG1 VAL A 3 2.797 -7.480 4.043 1.00 0.00 C ATOM 59 CG2 VAL A 3 3.602 -9.303 5.491 1.00 0.00 C ATOM 0 H VAL A 3 2.662 -8.597 7.882 1.00 0.00 H new ATOM 0 HA VAL A 3 4.262 -6.796 6.314 1.00 0.00 H new ATOM 0 HB VAL A 3 1.698 -8.223 5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.432 -8.235 3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.172 -6.590 3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.826 -7.222 3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.250 -9.990 4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.642 -9.040 5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.527 -9.783 6.467 1.00 0.00 H new ATOM 69 N LYS A 4 2.976 -4.635 6.157 1.00 0.00 N ATOM 70 CA LYS A 4 2.233 -3.392 5.964 1.00 0.00 C ATOM 71 C LYS A 4 2.021 -3.162 4.479 1.00 0.00 C ATOM 72 O LYS A 4 2.889 -3.477 3.662 1.00 0.00 O ATOM 73 CB LYS A 4 2.982 -2.194 6.575 1.00 0.00 C ATOM 74 CG LYS A 4 2.433 -1.802 7.951 1.00 0.00 C ATOM 75 CD LYS A 4 2.769 -2.802 9.066 1.00 0.00 C ATOM 76 CE LYS A 4 2.020 -2.521 10.378 1.00 0.00 C ATOM 77 NZ LYS A 4 2.028 -1.099 10.780 1.00 0.00 N ATOM 0 H LYS A 4 3.964 -4.563 5.913 1.00 0.00 H new ATOM 0 HA LYS A 4 1.271 -3.481 6.469 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.040 -2.438 6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.908 -1.341 5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.829 -0.824 8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.350 -1.700 7.883 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.528 -3.809 8.726 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.842 -2.778 9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.987 -2.853 10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.467 -3.116 11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.641 -1.008 11.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.004 -0.739 10.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.445 -0.548 10.118 1.00 0.00 H new ATOM 91 N ILE A 5 0.889 -2.554 4.149 1.00 0.00 N ATOM 92 CA ILE A 5 0.510 -2.086 2.833 1.00 0.00 C ATOM 93 C ILE A 5 -0.022 -0.671 3.057 1.00 0.00 C ATOM 94 O ILE A 5 -0.842 -0.468 3.954 1.00 0.00 O ATOM 95 CB ILE A 5 -0.535 -3.048 2.239 1.00 0.00 C ATOM 96 CG1 ILE A 5 0.177 -4.307 1.714 1.00 0.00 C ATOM 97 CG2 ILE A 5 -1.442 -2.421 1.167 1.00 0.00 C ATOM 98 CD1 ILE A 5 0.846 -4.178 0.345 1.00 0.00 C ATOM 0 H ILE A 5 0.167 -2.365 4.844 1.00 0.00 H new ATOM 0 HA ILE A 5 1.330 -2.062 2.115 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.218 -3.313 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.935 -4.601 2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.550 -5.118 1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.147 -3.169 0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.991 -1.584 1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.832 -2.065 0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.315 -5.125 0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.097 -3.921 -0.403 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.604 -3.396 0.383 1.00 0.00 H new ATOM 110 N GLU A 6 0.378 0.294 2.232 1.00 0.00 N ATOM 111 CA GLU A 6 -0.271 1.601 2.202 1.00 0.00 C ATOM 112 C GLU A 6 -0.603 1.944 0.761 1.00 0.00 C ATOM 113 O GLU A 6 0.175 1.654 -0.150 1.00 0.00 O ATOM 114 CB GLU A 6 0.591 2.727 2.779 1.00 0.00 C ATOM 115 CG GLU A 6 1.068 2.543 4.223 1.00 0.00 C ATOM 116 CD GLU A 6 1.633 3.858 4.767 1.00 0.00 C ATOM 117 OE1 GLU A 6 0.887 4.859 4.845 1.00 0.00 O ATOM 118 OE2 GLU A 6 2.833 3.909 5.130 1.00 0.00 O ATOM 0 H GLU A 6 1.151 0.194 1.574 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.162 1.526 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.467 2.848 2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.024 3.656 2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.239 2.209 4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.831 1.766 4.265 1.00 0.00 H new ATOM 125 N LEU A 7 -1.740 2.603 0.568 1.00 0.00 N ATOM 126 CA LEU A 7 -2.227 3.140 -0.687 1.00 0.00 C ATOM 127 C LEU A 7 -2.397 4.636 -0.431 1.00 0.00 C ATOM 128 O LEU A 7 -3.510 5.099 -0.161 1.00 0.00 O ATOM 129 CB LEU A 7 -3.569 2.490 -1.079 1.00 0.00 C ATOM 130 CG LEU A 7 -3.598 1.048 -1.611 1.00 0.00 C ATOM 131 CD1 LEU A 7 -2.907 0.894 -2.965 1.00 0.00 C ATOM 132 CD2 LEU A 7 -3.055 0.005 -0.634 1.00 0.00 C ATOM 0 H LEU A 7 -2.384 2.786 1.337 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.543 2.941 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.215 2.525 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.027 3.125 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.662 0.848 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.962 -0.146 -3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.403 1.527 -3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.862 1.192 -2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.112 -0.984 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.017 0.235 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.649 0.019 0.280 1.00 0.00 H new ATOM 144 N PHE A 8 -1.290 5.380 -0.458 1.00 0.00 N ATOM 145 CA PHE A 8 -1.279 6.823 -0.306 1.00 0.00 C ATOM 146 C PHE A 8 -1.441 7.407 -1.712 1.00 0.00 C ATOM 147 O PHE A 8 -0.462 7.710 -2.398 1.00 0.00 O ATOM 148 CB PHE A 8 0.007 7.246 0.434 1.00 0.00 C ATOM 149 CG PHE A 8 -0.036 8.635 1.024 1.00 0.00 C ATOM 150 CD1 PHE A 8 0.164 9.763 0.210 1.00 0.00 C ATOM 151 CD2 PHE A 8 -0.241 8.803 2.404 1.00 0.00 C ATOM 152 CE1 PHE A 8 0.059 11.048 0.765 1.00 0.00 C ATOM 153 CE2 PHE A 8 -0.347 10.086 2.956 1.00 0.00 C ATOM 154 CZ PHE A 8 -0.224 11.216 2.129 1.00 0.00 C ATOM 0 H PHE A 8 -0.360 4.981 -0.589 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.094 7.206 0.309 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.202 6.532 1.234 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.846 7.186 -0.259 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.397 9.642 -0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.317 7.936 3.044 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.197 11.915 0.136 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.523 10.207 4.015 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.347 12.207 2.541 1.00 0.00 H new ATOM 164 N THR A 9 -2.672 7.454 -2.233 1.00 0.00 N ATOM 165 CA THR A 9 -2.981 7.982 -3.573 1.00 0.00 C ATOM 166 C THR A 9 -4.415 8.529 -3.617 1.00 0.00 C ATOM 167 O THR A 9 -5.251 8.149 -2.801 1.00 0.00 O ATOM 168 CB THR A 9 -2.701 6.885 -4.635 1.00 0.00 C ATOM 169 OG1 THR A 9 -1.332 6.633 -4.610 1.00 0.00 O ATOM 170 CG2 THR A 9 -3.134 7.205 -6.069 1.00 0.00 C ATOM 0 H THR A 9 -3.496 7.122 -1.731 1.00 0.00 H new ATOM 0 HA THR A 9 -2.333 8.827 -3.808 1.00 0.00 H new ATOM 0 HB THR A 9 -3.311 6.024 -4.361 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.895 7.262 -3.999 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.887 6.366 -6.719 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.210 7.379 -6.094 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.614 8.098 -6.416 1.00 0.00 H new ATOM 178 N SER A 10 -4.728 9.401 -4.577 1.00 0.00 N ATOM 179 CA SER A 10 -6.082 9.745 -4.994 1.00 0.00 C ATOM 180 C SER A 10 -5.988 9.998 -6.500 1.00 0.00 C ATOM 181 O SER A 10 -5.379 10.993 -6.897 1.00 0.00 O ATOM 182 CB SER A 10 -6.593 10.972 -4.240 1.00 0.00 C ATOM 183 OG SER A 10 -7.938 11.255 -4.558 1.00 0.00 O ATOM 0 H SER A 10 -4.015 9.905 -5.104 1.00 0.00 H new ATOM 0 HA SER A 10 -6.794 8.950 -4.772 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.500 10.805 -3.167 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.972 11.834 -4.484 1.00 0.00 H new ATOM 0 HG SER A 10 -8.269 11.969 -3.974 1.00 0.00 H new ATOM 189 N PRO A 11 -6.461 9.077 -7.351 1.00 0.00 N ATOM 190 CA PRO A 11 -6.338 9.225 -8.790 1.00 0.00 C ATOM 191 C PRO A 11 -7.376 10.215 -9.323 1.00 0.00 C ATOM 192 O PRO A 11 -8.579 9.993 -9.157 1.00 0.00 O ATOM 193 CB PRO A 11 -6.554 7.821 -9.343 1.00 0.00 C ATOM 194 CG PRO A 11 -7.463 7.146 -8.318 1.00 0.00 C ATOM 195 CD PRO A 11 -7.075 7.803 -7.001 1.00 0.00 C ATOM 0 HA PRO A 11 -5.370 9.627 -9.090 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.018 7.849 -10.329 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.610 7.286 -9.450 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.516 7.306 -8.550 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.303 6.068 -8.290 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.949 7.953 -6.368 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.380 7.176 -6.442 1.00 0.00 H new ATOM 203 N MET A 12 -6.950 11.283 -9.998 1.00 0.00 N ATOM 204 CA MET A 12 -7.854 12.129 -10.766 1.00 0.00 C ATOM 205 C MET A 12 -7.882 11.593 -12.193 1.00 0.00 C ATOM 206 O MET A 12 -7.030 11.952 -13.008 1.00 0.00 O ATOM 207 CB MET A 12 -7.424 13.597 -10.712 1.00 0.00 C ATOM 208 CG MET A 12 -8.488 14.461 -11.401 1.00 0.00 C ATOM 209 SD MET A 12 -8.063 16.212 -11.553 1.00 0.00 S ATOM 210 CE MET A 12 -7.841 16.662 -9.811 1.00 0.00 C ATOM 0 H MET A 12 -5.975 11.582 -10.026 1.00 0.00 H new ATOM 0 HA MET A 12 -8.857 12.098 -10.341 1.00 0.00 H new ATOM 0 HB2 MET A 12 -7.297 13.913 -9.677 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.460 13.724 -11.205 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.673 14.059 -12.397 1.00 0.00 H new ATOM 0 HG3 MET A 12 -9.421 14.375 -10.844 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.787 17.747 -9.720 1.00 0.00 H new ATOM 0 HE2 MET A 12 -8.684 16.291 -9.229 1.00 0.00 H new ATOM 0 HE3 MET A 12 -6.918 16.220 -9.436 1.00 0.00 H new ATOM 220 N CYS A 13 -8.834 10.693 -12.445 1.00 0.00 N ATOM 221 CA CYS A 13 -9.197 9.997 -13.682 1.00 0.00 C ATOM 222 C CYS A 13 -8.908 8.496 -13.574 1.00 0.00 C ATOM 223 O CYS A 13 -9.876 7.746 -13.717 1.00 0.00 O ATOM 224 CB CYS A 13 -8.634 10.579 -14.989 1.00 0.00 C ATOM 225 SG CYS A 13 -9.317 12.233 -15.301 1.00 0.00 S ATOM 0 H CYS A 13 -9.449 10.397 -11.687 1.00 0.00 H new ATOM 0 HA CYS A 13 -10.270 10.165 -13.769 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.547 10.634 -14.930 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.875 9.918 -15.821 1.00 0.00 H new ATOM 0 HG CYS A 13 -8.825 12.704 -16.408 1.00 0.00 H new ATOM 231 N PRO A 14 -7.672 8.014 -13.312 1.00 0.00 N ATOM 232 CA PRO A 14 -7.355 6.589 -13.346 1.00 0.00 C ATOM 233 C PRO A 14 -7.790 5.897 -12.045 1.00 0.00 C ATOM 234 O PRO A 14 -6.975 5.356 -11.291 1.00 0.00 O ATOM 235 CB PRO A 14 -5.847 6.532 -13.603 1.00 0.00 C ATOM 236 CG PRO A 14 -5.319 7.760 -12.874 1.00 0.00 C ATOM 237 CD PRO A 14 -6.449 8.772 -13.058 1.00 0.00 C ATOM 0 HA PRO A 14 -7.893 6.048 -14.124 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.407 5.614 -13.214 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.619 6.568 -14.668 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.127 7.554 -11.821 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.383 8.115 -13.305 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.559 9.392 -12.168 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.233 9.443 -13.889 1.00 0.00 H new ATOM 245 N HIS A 15 -9.083 5.978 -11.731 1.00 0.00 N ATOM 246 CA HIS A 15 -9.706 5.323 -10.595 1.00 0.00 C ATOM 247 C HIS A 15 -9.523 3.821 -10.801 1.00 0.00 C ATOM 248 O HIS A 15 -10.066 3.263 -11.754 1.00 0.00 O ATOM 249 CB HIS A 15 -11.177 5.754 -10.476 1.00 0.00 C ATOM 250 CG HIS A 15 -11.385 7.256 -10.412 1.00 0.00 C ATOM 251 ND1 HIS A 15 -11.855 8.057 -11.441 1.00 0.00 N ATOM 252 CD2 HIS A 15 -11.128 8.067 -9.336 1.00 0.00 C ATOM 253 CE1 HIS A 15 -11.863 9.329 -10.991 1.00 0.00 C ATOM 254 NE2 HIS A 15 -11.450 9.355 -9.712 1.00 0.00 N ATOM 0 H HIS A 15 -9.744 6.523 -12.285 1.00 0.00 H new ATOM 0 HA HIS A 15 -9.246 5.607 -9.648 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.729 5.359 -11.329 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.605 5.301 -9.581 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.746 7.756 -8.375 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -12.156 10.193 -11.569 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -11.386 10.184 -9.121 1.00 0.00 H new ATOM 263 N CYS A 16 -8.697 3.199 -9.966 1.00 0.00 N ATOM 264 CA CYS A 16 -8.329 1.791 -10.026 1.00 0.00 C ATOM 265 C CYS A 16 -8.723 1.140 -8.701 1.00 0.00 C ATOM 266 O CYS A 16 -8.897 1.859 -7.714 1.00 0.00 O ATOM 267 CB CYS A 16 -6.814 1.681 -10.245 1.00 0.00 C ATOM 268 SG CYS A 16 -6.395 2.260 -11.910 1.00 0.00 S ATOM 0 H CYS A 16 -8.245 3.687 -9.193 1.00 0.00 H new ATOM 0 HA CYS A 16 -8.840 1.288 -10.847 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.285 2.274 -9.499 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.492 0.647 -10.117 1.00 0.00 H new ATOM 0 HG CYS A 16 -6.545 3.550 -11.971 1.00 0.00 H new ATOM 274 N PRO A 17 -8.813 -0.201 -8.633 1.00 0.00 N ATOM 275 CA PRO A 17 -9.275 -0.878 -7.430 1.00 0.00 C ATOM 276 C PRO A 17 -8.395 -0.629 -6.203 1.00 0.00 C ATOM 277 O PRO A 17 -8.905 -0.762 -5.092 1.00 0.00 O ATOM 278 CB PRO A 17 -9.385 -2.366 -7.785 1.00 0.00 C ATOM 279 CG PRO A 17 -8.537 -2.511 -9.043 1.00 0.00 C ATOM 280 CD PRO A 17 -8.674 -1.155 -9.724 1.00 0.00 C ATOM 0 HA PRO A 17 -10.242 -0.475 -7.128 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -9.012 -2.997 -6.978 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -10.420 -2.657 -7.966 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.498 -2.736 -8.803 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.899 -3.318 -9.680 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.801 -0.930 -10.337 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.541 -1.130 -10.384 1.00 0.00 H new ATOM 288 N ALA A 18 -7.128 -0.228 -6.371 1.00 0.00 N ATOM 289 CA ALA A 18 -6.219 0.157 -5.298 1.00 0.00 C ATOM 290 C ALA A 18 -6.335 -0.821 -4.123 1.00 0.00 C ATOM 291 O ALA A 18 -6.077 -2.011 -4.303 1.00 0.00 O ATOM 292 CB ALA A 18 -6.471 1.632 -4.927 1.00 0.00 C ATOM 0 H ALA A 18 -6.698 -0.162 -7.294 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.181 0.091 -5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.794 1.926 -4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.295 2.262 -5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.502 1.752 -4.594 1.00 0.00 H new ATOM 298 N ALA A 19 -6.765 -0.352 -2.944 1.00 0.00 N ATOM 299 CA ALA A 19 -6.893 -1.181 -1.760 1.00 0.00 C ATOM 300 C ALA A 19 -7.694 -2.464 -1.976 1.00 0.00 C ATOM 301 O ALA A 19 -7.328 -3.440 -1.341 1.00 0.00 O ATOM 302 CB ALA A 19 -7.490 -0.368 -0.613 1.00 0.00 C ATOM 0 H ALA A 19 -7.033 0.621 -2.794 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.883 -1.503 -1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.582 -0.999 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.839 0.477 -0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.475 -0.001 -0.901 1.00 0.00 H new ATOM 308 N LYS A 20 -8.717 -2.514 -2.846 1.00 0.00 N ATOM 309 CA LYS A 20 -9.476 -3.752 -3.075 1.00 0.00 C ATOM 310 C LYS A 20 -8.533 -4.849 -3.566 1.00 0.00 C ATOM 311 O LYS A 20 -8.391 -5.871 -2.903 1.00 0.00 O ATOM 312 CB LYS A 20 -10.657 -3.591 -4.053 1.00 0.00 C ATOM 313 CG LYS A 20 -11.834 -2.725 -3.569 1.00 0.00 C ATOM 314 CD LYS A 20 -11.621 -1.233 -3.840 1.00 0.00 C ATOM 315 CE LYS A 20 -12.888 -0.417 -3.592 1.00 0.00 C ATOM 316 NZ LYS A 20 -12.639 1.014 -3.851 1.00 0.00 N ATOM 0 H LYS A 20 -9.035 -1.717 -3.398 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.917 -4.026 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.277 -3.163 -4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.039 -4.583 -4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.748 -3.053 -4.064 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.977 -2.879 -2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.820 -0.860 -3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.298 -1.095 -4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.691 -0.775 -4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.221 -0.554 -2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.510 1.555 -3.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.888 1.356 -3.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.343 1.141 -4.840 1.00 0.00 H new ATOM 330 N ARG A 21 -7.848 -4.634 -4.695 1.00 0.00 N ATOM 331 CA ARG A 21 -6.895 -5.627 -5.191 1.00 0.00 C ATOM 332 C ARG A 21 -5.788 -5.837 -4.196 1.00 0.00 C ATOM 333 O ARG A 21 -5.422 -6.978 -3.952 1.00 0.00 O ATOM 334 CB ARG A 21 -6.214 -5.216 -6.496 1.00 0.00 C ATOM 335 CG ARG A 21 -6.995 -5.715 -7.702 1.00 0.00 C ATOM 336 CD ARG A 21 -6.176 -5.330 -8.936 1.00 0.00 C ATOM 337 NE ARG A 21 -6.905 -5.546 -10.186 1.00 0.00 N ATOM 338 CZ ARG A 21 -6.849 -4.763 -11.267 1.00 0.00 C ATOM 339 NH1 ARG A 21 -6.209 -3.597 -11.256 1.00 0.00 N ATOM 340 NH2 ARG A 21 -7.459 -5.134 -12.381 1.00 0.00 N ATOM 0 H ARG A 21 -7.934 -3.797 -5.272 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.487 -6.528 -5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.128 -4.130 -6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.201 -5.617 -6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.139 -6.794 -7.652 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.986 -5.263 -7.737 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.889 -4.281 -8.864 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.255 -5.912 -8.952 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.509 -6.366 -10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.743 -3.279 -10.406 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.184 -3.021 -12.098 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.970 -6.016 -12.413 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.418 -4.538 -13.208 1.00 0.00 H new ATOM 354 N VAL A 22 -5.177 -4.750 -3.731 1.00 0.00 N ATOM 355 CA VAL A 22 -3.924 -4.870 -3.024 1.00 0.00 C ATOM 356 C VAL A 22 -4.177 -5.610 -1.702 1.00 0.00 C ATOM 357 O VAL A 22 -3.392 -6.509 -1.406 1.00 0.00 O ATOM 358 CB VAL A 22 -3.222 -3.497 -2.950 1.00 0.00 C ATOM 359 CG1 VAL A 22 -1.869 -3.591 -2.239 1.00 0.00 C ATOM 360 CG2 VAL A 22 -2.923 -2.948 -4.363 1.00 0.00 C ATOM 0 H VAL A 22 -5.528 -3.798 -3.833 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.197 -5.488 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.904 -2.845 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.406 -2.605 -2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.017 -3.956 -1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.220 -4.279 -2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.429 -1.980 -4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.273 -3.644 -4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.857 -2.833 -4.914 1.00 0.00 H new ATOM 370 N VAL A 23 -5.277 -5.345 -0.970 1.00 0.00 N ATOM 371 CA VAL A 23 -5.641 -6.159 0.190 1.00 0.00 C ATOM 372 C VAL A 23 -5.928 -7.584 -0.255 1.00 0.00 C ATOM 373 O VAL A 23 -5.417 -8.489 0.382 1.00 0.00 O ATOM 374 CB VAL A 23 -6.784 -5.573 1.059 1.00 0.00 C ATOM 375 CG1 VAL A 23 -8.216 -5.777 0.540 1.00 0.00 C ATOM 376 CG2 VAL A 23 -6.758 -6.200 2.466 1.00 0.00 C ATOM 0 H VAL A 23 -5.920 -4.578 -1.165 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.780 -6.155 0.858 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.577 -4.503 1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.923 -5.323 1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.318 -5.309 -0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.424 -6.844 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.565 -5.780 3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.889 -7.279 2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.802 -5.985 2.943 1.00 0.00 H new ATOM 386 N GLU A 24 -6.701 -7.806 -1.324 1.00 0.00 N ATOM 387 CA GLU A 24 -7.082 -9.151 -1.734 1.00 0.00 C ATOM 388 C GLU A 24 -5.843 -9.998 -2.022 1.00 0.00 C ATOM 389 O GLU A 24 -5.755 -11.151 -1.610 1.00 0.00 O ATOM 390 CB GLU A 24 -8.027 -9.085 -2.948 1.00 0.00 C ATOM 391 CG GLU A 24 -8.688 -10.451 -3.181 1.00 0.00 C ATOM 392 CD GLU A 24 -10.009 -10.322 -3.936 1.00 0.00 C ATOM 393 OE1 GLU A 24 -10.938 -9.656 -3.415 1.00 0.00 O ATOM 394 OE2 GLU A 24 -10.154 -10.941 -5.012 1.00 0.00 O ATOM 0 H GLU A 24 -7.073 -7.065 -1.919 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.620 -9.634 -0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.792 -8.326 -2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.470 -8.786 -3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.009 -11.092 -3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.864 -10.938 -2.222 1.00 0.00 H new ATOM 401 N GLU A 25 -4.873 -9.404 -2.712 1.00 0.00 N ATOM 402 CA GLU A 25 -3.618 -10.026 -3.067 1.00 0.00 C ATOM 403 C GLU A 25 -2.817 -10.377 -1.814 1.00 0.00 C ATOM 404 O GLU A 25 -2.423 -11.534 -1.653 1.00 0.00 O ATOM 405 CB GLU A 25 -2.837 -9.091 -4.006 1.00 0.00 C ATOM 406 CG GLU A 25 -1.714 -9.873 -4.695 1.00 0.00 C ATOM 407 CD GLU A 25 -2.258 -10.602 -5.928 1.00 0.00 C ATOM 408 OE1 GLU A 25 -2.773 -11.739 -5.801 1.00 0.00 O ATOM 409 OE2 GLU A 25 -2.232 -10.023 -7.036 1.00 0.00 O ATOM 0 H GLU A 25 -4.950 -8.444 -3.047 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.807 -10.961 -3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.508 -8.666 -4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.419 -8.258 -3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.914 -9.193 -4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.282 -10.592 -3.999 1.00 0.00 H new ATOM 416 N VAL A 26 -2.557 -9.411 -0.924 1.00 0.00 N ATOM 417 CA VAL A 26 -1.750 -9.727 0.249 1.00 0.00 C ATOM 418 C VAL A 26 -2.513 -10.599 1.244 1.00 0.00 C ATOM 419 O VAL A 26 -1.875 -11.380 1.936 1.00 0.00 O ATOM 420 CB VAL A 26 -1.155 -8.485 0.930 1.00 0.00 C ATOM 421 CG1 VAL A 26 -0.225 -7.719 0.000 1.00 0.00 C ATOM 422 CG2 VAL A 26 -2.192 -7.531 1.537 1.00 0.00 C ATOM 0 H VAL A 26 -2.880 -8.446 -0.991 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.903 -10.305 -0.121 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.582 -8.887 1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.174 -6.848 0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.597 -8.366 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.779 -7.393 -0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.682 -6.684 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.859 -7.172 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.772 -8.058 2.294 1.00 0.00 H new ATOM 432 N ALA A 27 -3.842 -10.507 1.320 1.00 0.00 N ATOM 433 CA ALA A 27 -4.667 -11.334 2.186 1.00 0.00 C ATOM 434 C ALA A 27 -4.699 -12.766 1.668 1.00 0.00 C ATOM 435 O ALA A 27 -4.825 -13.691 2.464 1.00 0.00 O ATOM 436 CB ALA A 27 -6.091 -10.779 2.279 1.00 0.00 C ATOM 0 H ALA A 27 -4.381 -9.840 0.768 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.229 -11.324 3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.688 -11.416 2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.062 -9.768 2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.539 -10.758 1.285 1.00 0.00 H new ATOM 442 N ASN A 28 -4.534 -12.967 0.357 1.00 0.00 N ATOM 443 CA ASN A 28 -4.347 -14.299 -0.196 1.00 0.00 C ATOM 444 C ASN A 28 -3.127 -14.966 0.442 1.00 0.00 C ATOM 445 O ASN A 28 -3.172 -16.147 0.774 1.00 0.00 O ATOM 446 CB ASN A 28 -4.199 -14.252 -1.722 1.00 0.00 C ATOM 447 CG ASN A 28 -4.941 -15.410 -2.368 1.00 0.00 C ATOM 448 OD1 ASN A 28 -4.848 -16.553 -1.928 1.00 0.00 O ATOM 449 ND2 ASN A 28 -5.738 -15.141 -3.387 1.00 0.00 N ATOM 0 H ASN A 28 -4.527 -12.219 -0.336 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.234 -14.890 0.033 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.588 -13.307 -2.101 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.144 -14.294 -1.992 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.285 -15.887 -3.817 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.806 -14.188 -3.743 1.00 0.00 H new ATOM 456 N GLU A 29 -2.055 -14.203 0.655 1.00 0.00 N ATOM 457 CA GLU A 29 -0.850 -14.652 1.339 1.00 0.00 C ATOM 458 C GLU A 29 -1.045 -14.716 2.860 1.00 0.00 C ATOM 459 O GLU A 29 -0.733 -15.732 3.485 1.00 0.00 O ATOM 460 CB GLU A 29 0.307 -13.704 0.967 1.00 0.00 C ATOM 461 CG GLU A 29 1.123 -14.245 -0.211 1.00 0.00 C ATOM 462 CD GLU A 29 2.175 -15.247 0.271 1.00 0.00 C ATOM 463 OE1 GLU A 29 1.825 -16.252 0.928 1.00 0.00 O ATOM 464 OE2 GLU A 29 3.390 -14.993 0.094 1.00 0.00 O ATOM 0 H GLU A 29 -2.003 -13.232 0.348 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.616 -15.667 1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.093 -12.723 0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.959 -13.568 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.459 -14.726 -0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.611 -13.420 -0.730 1.00 0.00 H new ATOM 471 N MET A 30 -1.528 -13.632 3.466 1.00 0.00 N ATOM 472 CA MET A 30 -1.562 -13.356 4.896 1.00 0.00 C ATOM 473 C MET A 30 -2.881 -12.661 5.231 1.00 0.00 C ATOM 474 O MET A 30 -2.896 -11.438 5.345 1.00 0.00 O ATOM 475 CB MET A 30 -0.361 -12.466 5.287 1.00 0.00 C ATOM 476 CG MET A 30 0.898 -13.331 5.385 1.00 0.00 C ATOM 477 SD MET A 30 2.425 -12.401 5.610 1.00 0.00 S ATOM 478 CE MET A 30 3.523 -13.746 6.103 1.00 0.00 C ATOM 0 H MET A 30 -1.936 -12.868 2.927 1.00 0.00 H new ATOM 0 HA MET A 30 -1.493 -14.287 5.459 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.219 -11.680 4.545 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.553 -11.974 6.240 1.00 0.00 H new ATOM 0 HG2 MET A 30 0.783 -14.025 6.218 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.983 -13.932 4.479 1.00 0.00 H new ATOM 0 HE1 MET A 30 4.523 -13.351 6.286 1.00 0.00 H new ATOM 0 HE2 MET A 30 3.144 -14.210 7.014 1.00 0.00 H new ATOM 0 HE3 MET A 30 3.566 -14.490 5.308 1.00 0.00 H new ATOM 488 N PRO A 31 -3.995 -13.382 5.428 1.00 0.00 N ATOM 489 CA PRO A 31 -5.293 -12.758 5.675 1.00 0.00 C ATOM 490 C PRO A 31 -5.401 -12.045 7.038 1.00 0.00 C ATOM 491 O PRO A 31 -6.498 -11.616 7.406 1.00 0.00 O ATOM 492 CB PRO A 31 -6.330 -13.871 5.478 1.00 0.00 C ATOM 493 CG PRO A 31 -5.559 -15.179 5.633 1.00 0.00 C ATOM 494 CD PRO A 31 -4.109 -14.828 5.313 1.00 0.00 C ATOM 0 HA PRO A 31 -5.462 -11.937 4.978 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.130 -13.797 6.215 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.796 -13.804 4.495 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.655 -15.575 6.644 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.938 -15.943 4.954 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.429 -15.326 6.004 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.843 -15.159 4.309 1.00 0.00 H new ATOM 502 N ASP A 32 -4.307 -11.887 7.792 1.00 0.00 N ATOM 503 CA ASP A 32 -4.296 -11.273 9.119 1.00 0.00 C ATOM 504 C ASP A 32 -2.968 -10.590 9.432 1.00 0.00 C ATOM 505 O ASP A 32 -2.986 -9.485 9.969 1.00 0.00 O ATOM 506 CB ASP A 32 -4.587 -12.307 10.206 1.00 0.00 C ATOM 507 CG ASP A 32 -4.800 -11.602 11.539 1.00 0.00 C ATOM 508 OD1 ASP A 32 -5.945 -11.174 11.810 1.00 0.00 O ATOM 509 OD2 ASP A 32 -3.876 -11.527 12.380 1.00 0.00 O ATOM 0 H ASP A 32 -3.383 -12.191 7.486 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.080 -10.516 9.109 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.473 -12.886 9.944 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.758 -13.011 10.284 1.00 0.00 H new ATOM 514 N ALA A 33 -1.817 -11.183 9.071 1.00 0.00 N ATOM 515 CA ALA A 33 -0.527 -10.505 9.244 1.00 0.00 C ATOM 516 C ALA A 33 -0.393 -9.295 8.320 1.00 0.00 C ATOM 517 O ALA A 33 0.576 -8.557 8.438 1.00 0.00 O ATOM 518 CB ALA A 33 0.684 -11.413 9.006 1.00 0.00 C ATOM 0 H ALA A 33 -1.756 -12.116 8.664 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.526 -10.192 10.288 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.601 -10.842 9.152 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.659 -12.245 9.710 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.655 -11.799 7.987 1.00 0.00 H new ATOM 524 N VAL A 34 -1.328 -9.061 7.413 1.00 0.00 N ATOM 525 CA VAL A 34 -1.374 -7.843 6.639 1.00 0.00 C ATOM 526 C VAL A 34 -2.017 -6.733 7.478 1.00 0.00 C ATOM 527 O VAL A 34 -2.928 -6.965 8.274 1.00 0.00 O ATOM 528 CB VAL A 34 -2.066 -8.194 5.311 1.00 0.00 C ATOM 529 CG1 VAL A 34 -2.950 -7.070 4.756 1.00 0.00 C ATOM 530 CG2 VAL A 34 -0.981 -8.674 4.354 1.00 0.00 C ATOM 0 H VAL A 34 -2.078 -9.718 7.196 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.396 -7.437 6.382 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.790 -8.993 5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.403 -7.393 3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.734 -6.834 5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.342 -6.183 4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.430 -8.934 3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.248 -7.881 4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.488 -9.551 4.774 1.00 0.00 H new ATOM 540 N GLU A 35 -1.531 -5.510 7.299 1.00 0.00 N ATOM 541 CA GLU A 35 -2.133 -4.255 7.720 1.00 0.00 C ATOM 542 C GLU A 35 -2.296 -3.438 6.436 1.00 0.00 C ATOM 543 O GLU A 35 -1.408 -3.492 5.580 1.00 0.00 O ATOM 544 CB GLU A 35 -1.203 -3.548 8.729 1.00 0.00 C ATOM 545 CG GLU A 35 -1.924 -2.948 9.943 1.00 0.00 C ATOM 546 CD GLU A 35 -2.960 -1.883 9.574 1.00 0.00 C ATOM 547 OE1 GLU A 35 -4.051 -2.272 9.101 1.00 0.00 O ATOM 548 OE2 GLU A 35 -2.718 -0.676 9.818 1.00 0.00 O ATOM 0 H GLU A 35 -0.642 -5.361 6.821 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.092 -4.391 8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.458 -4.262 9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.664 -2.754 8.213 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.418 -3.748 10.494 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.185 -2.508 10.613 1.00 0.00 H new ATOM 555 N VAL A 36 -3.393 -2.695 6.289 1.00 0.00 N ATOM 556 CA VAL A 36 -3.711 -1.938 5.082 1.00 0.00 C ATOM 557 C VAL A 36 -4.123 -0.524 5.457 1.00 0.00 C ATOM 558 O VAL A 36 -5.007 -0.336 6.290 1.00 0.00 O ATOM 559 CB VAL A 36 -4.813 -2.617 4.240 1.00 0.00 C ATOM 560 CG1 VAL A 36 -4.225 -3.762 3.417 1.00 0.00 C ATOM 561 CG2 VAL A 36 -6.018 -3.152 5.036 1.00 0.00 C ATOM 0 H VAL A 36 -4.098 -2.602 7.020 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.814 -1.905 4.464 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.197 -1.819 3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.014 -4.230 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.457 -3.373 2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.783 -4.501 4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.732 -3.609 4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.677 -3.897 5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.498 -2.329 5.566 1.00 0.00 H new ATOM 571 N GLU A 37 -3.512 0.473 4.826 1.00 0.00 N ATOM 572 CA GLU A 37 -3.845 1.867 5.045 1.00 0.00 C ATOM 573 C GLU A 37 -4.265 2.408 3.675 1.00 0.00 C ATOM 574 O GLU A 37 -3.417 2.661 2.821 1.00 0.00 O ATOM 575 CB GLU A 37 -2.672 2.599 5.741 1.00 0.00 C ATOM 576 CG GLU A 37 -2.072 1.765 6.896 1.00 0.00 C ATOM 577 CD GLU A 37 -1.279 2.562 7.934 1.00 0.00 C ATOM 578 OE1 GLU A 37 -1.897 3.187 8.826 1.00 0.00 O ATOM 579 OE2 GLU A 37 -0.036 2.425 8.028 1.00 0.00 O ATOM 0 H GLU A 37 -2.767 0.330 4.144 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.673 2.024 5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.894 2.816 5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.021 3.556 6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.883 1.243 7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.419 1.003 6.471 1.00 0.00 H new ATOM 586 N TYR A 38 -5.571 2.470 3.396 1.00 0.00 N ATOM 587 CA TYR A 38 -6.106 3.129 2.208 1.00 0.00 C ATOM 588 C TYR A 38 -6.266 4.602 2.566 1.00 0.00 C ATOM 589 O TYR A 38 -7.286 4.981 3.147 1.00 0.00 O ATOM 590 CB TYR A 38 -7.441 2.515 1.767 1.00 0.00 C ATOM 591 CG TYR A 38 -8.011 3.194 0.529 1.00 0.00 C ATOM 592 CD1 TYR A 38 -7.321 3.132 -0.699 1.00 0.00 C ATOM 593 CD2 TYR A 38 -9.183 3.969 0.623 1.00 0.00 C ATOM 594 CE1 TYR A 38 -7.784 3.844 -1.818 1.00 0.00 C ATOM 595 CE2 TYR A 38 -9.650 4.687 -0.491 1.00 0.00 C ATOM 596 CZ TYR A 38 -8.942 4.645 -1.710 1.00 0.00 C ATOM 597 OH TYR A 38 -9.387 5.351 -2.781 1.00 0.00 O ATOM 0 H TYR A 38 -6.288 2.061 3.994 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.430 3.001 1.363 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.300 1.453 1.564 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.160 2.590 2.583 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.427 2.531 -0.780 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.726 4.012 1.556 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.256 3.779 -2.758 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.554 5.273 -0.413 1.00 0.00 H new ATOM 0 HH TYR A 38 -10.195 5.847 -2.533 1.00 0.00 H new ATOM 607 N ILE A 39 -5.262 5.433 2.281 1.00 0.00 N ATOM 608 CA ILE A 39 -5.244 6.808 2.770 1.00 0.00 C ATOM 609 C ILE A 39 -5.302 7.732 1.563 1.00 0.00 C ATOM 610 O ILE A 39 -4.310 8.027 0.894 1.00 0.00 O ATOM 611 CB ILE A 39 -4.150 7.068 3.829 1.00 0.00 C ATOM 612 CG1 ILE A 39 -2.686 6.917 3.385 1.00 0.00 C ATOM 613 CG2 ILE A 39 -4.433 6.236 5.094 1.00 0.00 C ATOM 614 CD1 ILE A 39 -2.139 5.505 3.174 1.00 0.00 C ATOM 0 H ILE A 39 -4.453 5.176 1.715 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.129 7.032 3.366 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.230 8.136 4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.563 7.465 2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.060 7.409 4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.657 6.425 5.835 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.403 6.516 5.505 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.440 5.176 4.839 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.096 5.562 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.210 4.944 4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.721 5.001 2.402 1.00 0.00 H new ATOM 626 N ASN A 40 -6.533 8.100 1.217 1.00 0.00 N ATOM 627 CA ASN A 40 -6.813 8.850 0.014 1.00 0.00 C ATOM 628 C ASN A 40 -6.155 10.229 0.093 1.00 0.00 C ATOM 629 O ASN A 40 -6.336 10.975 1.059 1.00 0.00 O ATOM 630 CB ASN A 40 -8.315 8.905 -0.269 1.00 0.00 C ATOM 631 CG ASN A 40 -9.081 9.783 0.711 1.00 0.00 C ATOM 632 OD1 ASN A 40 -9.167 9.462 1.893 1.00 0.00 O ATOM 633 ND2 ASN A 40 -9.671 10.868 0.243 1.00 0.00 N ATOM 0 H ASN A 40 -7.361 7.882 1.771 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.374 8.338 -0.842 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.474 9.278 -1.281 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.721 7.894 -0.235 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.215 11.463 0.868 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.583 11.111 -0.744 1.00 0.00 H new ATOM 640 N VAL A 41 -5.328 10.544 -0.901 1.00 0.00 N ATOM 641 CA VAL A 41 -4.624 11.821 -0.970 1.00 0.00 C ATOM 642 C VAL A 41 -5.659 12.931 -1.133 1.00 0.00 C ATOM 643 O VAL A 41 -6.394 12.962 -2.113 1.00 0.00 O ATOM 644 CB VAL A 41 -3.560 11.793 -2.082 1.00 0.00 C ATOM 645 CG1 VAL A 41 -2.926 13.156 -2.379 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.449 10.847 -1.625 1.00 0.00 C ATOM 0 H VAL A 41 -5.127 9.920 -1.682 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.072 12.016 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.057 11.473 -2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.188 13.048 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.700 13.856 -2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.439 13.534 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.673 10.800 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.019 11.214 -0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.862 9.851 -1.466 1.00 0.00 H new ATOM 656 N MET A 42 -5.714 13.820 -0.149 1.00 0.00 N ATOM 657 CA MET A 42 -6.682 14.890 0.020 1.00 0.00 C ATOM 658 C MET A 42 -6.235 15.598 1.287 1.00 0.00 C ATOM 659 O MET A 42 -5.786 16.739 1.236 1.00 0.00 O ATOM 660 CB MET A 42 -8.120 14.346 0.204 1.00 0.00 C ATOM 661 CG MET A 42 -8.920 14.252 -1.104 1.00 0.00 C ATOM 662 SD MET A 42 -10.425 15.266 -1.152 1.00 0.00 S ATOM 663 CE MET A 42 -9.666 16.910 -1.212 1.00 0.00 C ATOM 0 H MET A 42 -5.030 13.808 0.608 1.00 0.00 H new ATOM 0 HA MET A 42 -6.715 15.540 -0.855 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.069 13.357 0.659 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.656 14.990 0.901 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.274 14.547 -1.931 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.195 13.211 -1.271 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.447 17.670 -1.246 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.052 17.060 -0.324 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.042 16.990 -2.102 1.00 0.00 H new ATOM 673 N GLU A 43 -6.274 14.891 2.413 1.00 0.00 N ATOM 674 CA GLU A 43 -6.284 15.471 3.749 1.00 0.00 C ATOM 675 C GLU A 43 -5.460 14.559 4.664 1.00 0.00 C ATOM 676 O GLU A 43 -5.941 14.074 5.688 1.00 0.00 O ATOM 677 CB GLU A 43 -7.775 15.605 4.099 1.00 0.00 C ATOM 678 CG GLU A 43 -8.123 16.317 5.407 1.00 0.00 C ATOM 679 CD GLU A 43 -9.485 16.991 5.254 1.00 0.00 C ATOM 680 OE1 GLU A 43 -10.532 16.300 5.291 1.00 0.00 O ATOM 681 OE2 GLU A 43 -9.528 18.218 5.006 1.00 0.00 O ATOM 0 H GLU A 43 -6.300 13.871 2.419 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.823 16.454 3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.267 16.135 3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.205 14.604 4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.146 15.603 6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.360 17.058 5.648 1.00 0.00 H new ATOM 688 N ASN A 44 -4.231 14.232 4.242 1.00 0.00 N ATOM 689 CA ASN A 44 -3.434 13.149 4.816 1.00 0.00 C ATOM 690 C ASN A 44 -1.961 13.556 4.945 1.00 0.00 C ATOM 691 O ASN A 44 -1.485 14.363 4.147 1.00 0.00 O ATOM 692 CB ASN A 44 -3.616 11.867 3.975 1.00 0.00 C ATOM 693 CG ASN A 44 -4.727 10.998 4.556 1.00 0.00 C ATOM 694 OD1 ASN A 44 -4.673 10.646 5.731 1.00 0.00 O ATOM 695 ND2 ASN A 44 -5.737 10.617 3.793 1.00 0.00 N ATOM 0 H ASN A 44 -3.760 14.722 3.481 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.786 12.941 5.826 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.855 12.132 2.945 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.682 11.305 3.951 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.475 10.029 4.180 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.778 10.911 2.817 1.00 0.00 H new ATOM 702 N PRO A 45 -1.217 13.004 5.923 1.00 0.00 N ATOM 703 CA PRO A 45 0.139 13.441 6.242 1.00 0.00 C ATOM 704 C PRO A 45 1.122 13.106 5.123 1.00 0.00 C ATOM 705 O PRO A 45 1.197 11.962 4.677 1.00 0.00 O ATOM 706 CB PRO A 45 0.531 12.684 7.515 1.00 0.00 C ATOM 707 CG PRO A 45 -0.376 11.456 7.512 1.00 0.00 C ATOM 708 CD PRO A 45 -1.651 11.983 6.866 1.00 0.00 C ATOM 0 HA PRO A 45 0.170 14.523 6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.584 12.402 7.503 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.374 13.293 8.405 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.057 10.634 6.942 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.557 11.084 8.520 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.192 11.185 6.358 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.326 12.401 7.613 1.00 0.00 H new ATOM 716 N GLN A 46 1.983 14.053 4.751 1.00 0.00 N ATOM 717 CA GLN A 46 3.061 13.802 3.793 1.00 0.00 C ATOM 718 C GLN A 46 4.176 12.907 4.370 1.00 0.00 C ATOM 719 O GLN A 46 5.166 12.658 3.693 1.00 0.00 O ATOM 720 CB GLN A 46 3.589 15.112 3.181 1.00 0.00 C ATOM 721 CG GLN A 46 2.479 15.875 2.433 1.00 0.00 C ATOM 722 CD GLN A 46 2.967 17.174 1.792 1.00 0.00 C ATOM 723 OE1 GLN A 46 2.461 18.251 2.098 1.00 0.00 O ATOM 724 NE2 GLN A 46 3.917 17.133 0.875 1.00 0.00 N ATOM 0 H GLN A 46 1.954 15.010 5.102 1.00 0.00 H new ATOM 0 HA GLN A 46 2.632 13.227 2.972 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.998 15.744 3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.406 14.890 2.494 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.062 15.230 1.659 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.671 16.102 3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.340 16.241 0.618 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.228 17.993 0.424 1.00 0.00 H new ATOM 733 N LYS A 47 3.994 12.351 5.572 1.00 0.00 N ATOM 734 CA LYS A 47 4.810 11.296 6.163 1.00 0.00 C ATOM 735 C LYS A 47 5.013 10.097 5.236 1.00 0.00 C ATOM 736 O LYS A 47 6.011 9.399 5.367 1.00 0.00 O ATOM 737 CB LYS A 47 4.189 10.865 7.509 1.00 0.00 C ATOM 738 CG LYS A 47 2.812 10.180 7.384 1.00 0.00 C ATOM 739 CD LYS A 47 2.865 8.659 7.382 1.00 0.00 C ATOM 740 CE LYS A 47 1.724 8.014 6.583 1.00 0.00 C ATOM 741 NZ LYS A 47 1.794 6.542 6.681 1.00 0.00 N ATOM 0 H LYS A 47 3.234 12.642 6.187 1.00 0.00 H new ATOM 0 HA LYS A 47 5.806 11.705 6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.876 10.184 8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.088 11.743 8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.180 10.508 8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.335 10.516 6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.819 8.336 6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.828 8.299 8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.764 8.365 6.961 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.786 8.319 5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.362 6.117 5.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.789 6.245 6.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.281 6.226 7.528 1.00 0.00 H new ATOM 755 N ALA A 48 4.037 9.780 4.373 1.00 0.00 N ATOM 756 CA ALA A 48 4.269 8.877 3.250 1.00 0.00 C ATOM 757 C ALA A 48 4.663 9.652 1.993 1.00 0.00 C ATOM 758 O ALA A 48 5.515 9.191 1.250 1.00 0.00 O ATOM 759 CB ALA A 48 3.030 8.029 2.975 1.00 0.00 C ATOM 0 H ALA A 48 3.084 10.137 4.436 1.00 0.00 H new ATOM 0 HA ALA A 48 5.094 8.217 3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.224 7.363 2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.790 7.438 3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.189 8.680 2.735 1.00 0.00 H new ATOM 765 N MET A 49 4.018 10.786 1.713 1.00 0.00 N ATOM 766 CA MET A 49 4.224 11.554 0.481 1.00 0.00 C ATOM 767 C MET A 49 5.619 12.187 0.376 1.00 0.00 C ATOM 768 O MET A 49 5.876 12.911 -0.581 1.00 0.00 O ATOM 769 CB MET A 49 3.143 12.637 0.347 1.00 0.00 C ATOM 770 CG MET A 49 2.688 12.836 -1.101 1.00 0.00 C ATOM 771 SD MET A 49 1.396 14.096 -1.288 1.00 0.00 S ATOM 772 CE MET A 49 1.213 14.054 -3.091 1.00 0.00 C ATOM 0 H MET A 49 3.330 11.202 2.341 1.00 0.00 H new ATOM 0 HA MET A 49 4.147 10.842 -0.340 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.284 12.366 0.960 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.528 13.580 0.736 1.00 0.00 H new ATOM 0 HG2 MET A 49 3.548 13.117 -1.708 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.318 11.888 -1.491 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.403 14.720 -3.390 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.142 14.380 -3.559 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.983 13.037 -3.410 1.00 0.00 H new ATOM 782 N GLU A 50 6.489 12.014 1.368 1.00 0.00 N ATOM 783 CA GLU A 50 7.930 12.168 1.255 1.00 0.00 C ATOM 784 C GLU A 50 8.502 11.061 0.334 1.00 0.00 C ATOM 785 O GLU A 50 7.867 10.709 -0.659 1.00 0.00 O ATOM 786 CB GLU A 50 8.545 12.223 2.665 1.00 0.00 C ATOM 787 CG GLU A 50 8.295 10.986 3.540 1.00 0.00 C ATOM 788 CD GLU A 50 8.959 11.168 4.902 1.00 0.00 C ATOM 789 OE1 GLU A 50 10.213 11.122 4.961 1.00 0.00 O ATOM 790 OE2 GLU A 50 8.273 11.484 5.898 1.00 0.00 O ATOM 0 H GLU A 50 6.194 11.752 2.309 1.00 0.00 H new ATOM 0 HA GLU A 50 8.197 13.110 0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.621 12.368 2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.151 13.098 3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.224 10.830 3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.691 10.097 3.049 1.00 0.00 H new ATOM 797 N TYR A 51 9.697 10.527 0.624 1.00 0.00 N ATOM 798 CA TYR A 51 10.348 9.446 -0.116 1.00 0.00 C ATOM 799 C TYR A 51 10.765 9.893 -1.528 1.00 0.00 C ATOM 800 O TYR A 51 10.822 11.080 -1.851 1.00 0.00 O ATOM 801 CB TYR A 51 9.440 8.197 -0.194 1.00 0.00 C ATOM 802 CG TYR A 51 8.807 7.654 1.076 1.00 0.00 C ATOM 803 CD1 TYR A 51 9.490 7.644 2.308 1.00 0.00 C ATOM 804 CD2 TYR A 51 7.523 7.085 0.991 1.00 0.00 C ATOM 805 CE1 TYR A 51 8.862 7.133 3.459 1.00 0.00 C ATOM 806 CE2 TYR A 51 6.892 6.559 2.129 1.00 0.00 C ATOM 807 CZ TYR A 51 7.554 6.604 3.373 1.00 0.00 C ATOM 808 OH TYR A 51 6.940 6.092 4.474 1.00 0.00 O ATOM 0 H TYR A 51 10.256 10.852 1.413 1.00 0.00 H new ATOM 0 HA TYR A 51 11.252 9.183 0.433 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.633 8.422 -0.891 1.00 0.00 H new ATOM 0 HB3 TYR A 51 10.028 7.393 -0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.497 8.029 2.369 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.016 7.053 0.038 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.379 7.145 4.407 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.907 6.123 2.052 1.00 0.00 H new ATOM 0 HH TYR A 51 6.045 5.774 4.231 1.00 0.00 H new ATOM 818 N GLY A 52 11.140 8.924 -2.370 1.00 0.00 N ATOM 819 CA GLY A 52 11.118 9.102 -3.811 1.00 0.00 C ATOM 820 C GLY A 52 9.667 8.906 -4.256 1.00 0.00 C ATOM 821 O GLY A 52 8.876 8.318 -3.523 1.00 0.00 O ATOM 0 H GLY A 52 11.463 8.005 -2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.476 10.095 -4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.774 8.381 -4.300 1.00 0.00 H new ATOM 825 N ILE A 53 9.329 9.359 -5.465 1.00 0.00 N ATOM 826 CA ILE A 53 7.957 9.543 -5.932 1.00 0.00 C ATOM 827 C ILE A 53 7.046 10.159 -4.858 1.00 0.00 C ATOM 828 O ILE A 53 5.998 9.629 -4.474 1.00 0.00 O ATOM 829 CB ILE A 53 7.392 8.308 -6.665 1.00 0.00 C ATOM 830 CG1 ILE A 53 6.082 8.730 -7.377 1.00 0.00 C ATOM 831 CG2 ILE A 53 7.228 7.051 -5.792 1.00 0.00 C ATOM 832 CD1 ILE A 53 6.330 9.105 -8.842 1.00 0.00 C ATOM 0 H ILE A 53 10.025 9.615 -6.166 1.00 0.00 H new ATOM 0 HA ILE A 53 7.985 10.300 -6.715 1.00 0.00 H new ATOM 0 HB ILE A 53 8.130 7.986 -7.399 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.361 7.914 -7.327 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.640 9.578 -6.854 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.825 6.238 -6.396 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.198 6.758 -5.390 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.545 7.265 -4.970 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.388 9.395 -9.308 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.031 9.938 -8.891 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.748 8.248 -9.371 1.00 0.00 H new ATOM 844 N MET A 54 7.385 11.392 -4.492 1.00 0.00 N ATOM 845 CA MET A 54 6.453 12.244 -3.774 1.00 0.00 C ATOM 846 C MET A 54 5.276 12.637 -4.673 1.00 0.00 C ATOM 847 O MET A 54 4.204 12.985 -4.190 1.00 0.00 O ATOM 848 CB MET A 54 7.168 13.520 -3.302 1.00 0.00 C ATOM 849 CG MET A 54 8.451 13.294 -2.490 1.00 0.00 C ATOM 850 SD MET A 54 9.404 14.824 -2.261 1.00 0.00 S ATOM 851 CE MET A 54 10.711 14.208 -1.166 1.00 0.00 C ATOM 0 H MET A 54 8.292 11.818 -4.681 1.00 0.00 H new ATOM 0 HA MET A 54 6.077 11.689 -2.915 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.413 14.123 -4.176 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.473 14.103 -2.697 1.00 0.00 H new ATOM 0 HG2 MET A 54 8.193 12.881 -1.515 1.00 0.00 H new ATOM 0 HG3 MET A 54 9.072 12.554 -2.995 1.00 0.00 H new ATOM 0 HE1 MET A 54 11.254 15.051 -0.737 1.00 0.00 H new ATOM 0 HE2 MET A 54 10.266 13.617 -0.365 1.00 0.00 H new ATOM 0 HE3 MET A 54 11.400 13.585 -1.736 1.00 0.00 H new ATOM 861 N ALA A 55 5.466 12.577 -5.996 1.00 0.00 N ATOM 862 CA ALA A 55 4.471 12.931 -6.997 1.00 0.00 C ATOM 863 C ALA A 55 3.284 11.958 -7.067 1.00 0.00 C ATOM 864 O ALA A 55 2.395 12.185 -7.889 1.00 0.00 O ATOM 865 CB ALA A 55 5.162 13.028 -8.360 1.00 0.00 C ATOM 0 H ALA A 55 6.348 12.270 -6.406 1.00 0.00 H new ATOM 0 HA ALA A 55 4.043 13.890 -6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.429 13.293 -9.122 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.937 13.793 -8.321 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.613 12.067 -8.609 1.00 0.00 H new ATOM 871 N VAL A 56 3.235 10.909 -6.232 1.00 0.00 N ATOM 872 CA VAL A 56 2.179 9.893 -6.206 1.00 0.00 C ATOM 873 C VAL A 56 2.260 8.992 -7.469 1.00 0.00 C ATOM 874 O VAL A 56 2.922 9.353 -8.446 1.00 0.00 O ATOM 875 CB VAL A 56 0.819 10.607 -5.904 1.00 0.00 C ATOM 876 CG1 VAL A 56 -0.324 10.394 -6.912 1.00 0.00 C ATOM 877 CG2 VAL A 56 0.329 10.318 -4.482 1.00 0.00 C ATOM 0 H VAL A 56 3.958 10.741 -5.532 1.00 0.00 H new ATOM 0 HA VAL A 56 2.301 9.172 -5.398 1.00 0.00 H new ATOM 0 HB VAL A 56 1.080 11.660 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.206 10.943 -6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.016 10.756 -7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.560 9.332 -6.975 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.617 10.831 -4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.187 9.245 -4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.068 10.672 -3.763 1.00 0.00 H new ATOM 887 N PRO A 57 1.612 7.812 -7.514 1.00 0.00 N ATOM 888 CA PRO A 57 0.952 7.135 -6.411 1.00 0.00 C ATOM 889 C PRO A 57 1.966 6.554 -5.423 1.00 0.00 C ATOM 890 O PRO A 57 2.861 5.813 -5.816 1.00 0.00 O ATOM 891 CB PRO A 57 0.064 6.069 -7.061 1.00 0.00 C ATOM 892 CG PRO A 57 0.778 5.722 -8.358 1.00 0.00 C ATOM 893 CD PRO A 57 1.528 7.000 -8.721 1.00 0.00 C ATOM 0 HA PRO A 57 0.351 7.817 -5.809 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.042 5.194 -6.419 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.940 6.449 -7.249 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.461 4.883 -8.225 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.072 5.438 -9.139 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.524 6.767 -9.097 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.007 7.540 -9.512 1.00 0.00 H new ATOM 901 N THR A 58 1.840 6.896 -4.144 1.00 0.00 N ATOM 902 CA THR A 58 2.814 6.578 -3.113 1.00 0.00 C ATOM 903 C THR A 58 2.332 5.284 -2.439 1.00 0.00 C ATOM 904 O THR A 58 1.406 5.301 -1.628 1.00 0.00 O ATOM 905 CB THR A 58 2.892 7.824 -2.209 1.00 0.00 C ATOM 906 OG1 THR A 58 3.332 8.948 -2.959 1.00 0.00 O ATOM 907 CG2 THR A 58 3.735 7.689 -0.948 1.00 0.00 C ATOM 0 H THR A 58 1.036 7.415 -3.790 1.00 0.00 H new ATOM 0 HA THR A 58 3.829 6.377 -3.456 1.00 0.00 H new ATOM 0 HB THR A 58 1.872 7.957 -1.850 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.238 8.783 -3.295 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.714 8.628 -0.394 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.332 6.891 -0.325 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.763 7.452 -1.221 1.00 0.00 H new ATOM 915 N ILE A 59 2.876 4.129 -2.832 1.00 0.00 N ATOM 916 CA ILE A 59 2.329 2.823 -2.465 1.00 0.00 C ATOM 917 C ILE A 59 3.404 2.072 -1.677 1.00 0.00 C ATOM 918 O ILE A 59 4.500 1.807 -2.180 1.00 0.00 O ATOM 919 CB ILE A 59 1.854 2.073 -3.727 1.00 0.00 C ATOM 920 CG1 ILE A 59 0.950 2.903 -4.666 1.00 0.00 C ATOM 921 CG2 ILE A 59 1.132 0.776 -3.312 1.00 0.00 C ATOM 922 CD1 ILE A 59 -0.337 3.434 -4.028 1.00 0.00 C ATOM 0 H ILE A 59 3.711 4.075 -3.416 1.00 0.00 H new ATOM 0 HA ILE A 59 1.448 2.919 -1.830 1.00 0.00 H new ATOM 0 HB ILE A 59 2.752 1.854 -4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.525 3.748 -5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.684 2.288 -5.526 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.796 0.246 -4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.817 0.142 -2.749 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.271 1.022 -2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.902 4.003 -4.767 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.940 2.597 -3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.086 4.080 -3.187 1.00 0.00 H new ATOM 934 N VAL A 60 3.111 1.699 -0.440 1.00 0.00 N ATOM 935 CA VAL A 60 4.031 0.937 0.392 1.00 0.00 C ATOM 936 C VAL A 60 3.632 -0.526 0.230 1.00 0.00 C ATOM 937 O VAL A 60 2.446 -0.834 0.363 1.00 0.00 O ATOM 938 CB VAL A 60 3.965 1.440 1.848 1.00 0.00 C ATOM 939 CG1 VAL A 60 4.957 0.710 2.762 1.00 0.00 C ATOM 940 CG2 VAL A 60 4.247 2.956 1.912 1.00 0.00 C ATOM 0 H VAL A 60 2.225 1.917 0.017 1.00 0.00 H new ATOM 0 HA VAL A 60 5.073 1.059 0.095 1.00 0.00 H new ATOM 0 HB VAL A 60 2.956 1.232 2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.872 1.100 3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.733 -0.357 2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.972 0.867 2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.196 3.292 2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.241 3.158 1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.503 3.490 1.320 1.00 0.00 H new ATOM 950 N ILE A 61 4.573 -1.419 -0.103 1.00 0.00 N ATOM 951 CA ILE A 61 4.318 -2.865 -0.045 1.00 0.00 C ATOM 952 C ILE A 61 5.353 -3.539 0.851 1.00 0.00 C ATOM 953 O ILE A 61 6.521 -3.153 0.833 1.00 0.00 O ATOM 954 CB ILE A 61 4.227 -3.498 -1.450 1.00 0.00 C ATOM 955 CG1 ILE A 61 5.616 -3.517 -2.125 1.00 0.00 C ATOM 956 CG2 ILE A 61 3.120 -2.812 -2.286 1.00 0.00 C ATOM 957 CD1 ILE A 61 5.596 -3.948 -3.588 1.00 0.00 C ATOM 0 H ILE A 61 5.512 -1.169 -0.413 1.00 0.00 H new ATOM 0 HA ILE A 61 3.338 -3.029 0.403 1.00 0.00 H new ATOM 0 HB ILE A 61 3.925 -4.542 -1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.054 -2.521 -2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.268 -4.190 -1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.072 -3.272 -3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.160 -2.929 -1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.348 -1.751 -2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.611 -3.934 -3.985 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.190 -4.957 -3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.972 -3.262 -4.161 1.00 0.00 H new ATOM 969 N ASN A 62 4.911 -4.541 1.621 1.00 0.00 N ATOM 970 CA ASN A 62 5.503 -5.108 2.843 1.00 0.00 C ATOM 971 C ASN A 62 5.948 -4.112 3.927 1.00 0.00 C ATOM 972 O ASN A 62 5.689 -4.343 5.111 1.00 0.00 O ATOM 973 CB ASN A 62 6.604 -6.111 2.501 1.00 0.00 C ATOM 974 CG ASN A 62 7.096 -6.813 3.753 1.00 0.00 C ATOM 975 OD1 ASN A 62 6.436 -7.723 4.242 1.00 0.00 O ATOM 976 ND2 ASN A 62 8.233 -6.431 4.302 1.00 0.00 N ATOM 0 H ASN A 62 4.045 -5.024 1.382 1.00 0.00 H new ATOM 0 HA ASN A 62 4.671 -5.624 3.322 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.226 -6.846 1.791 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.434 -5.597 2.016 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.574 -6.894 5.144 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.772 -5.672 3.884 1.00 0.00 H new ATOM 983 N GLY A 63 6.582 -3.015 3.538 1.00 0.00 N ATOM 984 CA GLY A 63 7.109 -1.944 4.355 1.00 0.00 C ATOM 985 C GLY A 63 7.962 -0.978 3.523 1.00 0.00 C ATOM 986 O GLY A 63 8.223 0.128 3.995 1.00 0.00 O ATOM 0 H GLY A 63 6.754 -2.841 2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.287 -1.399 4.819 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.711 -2.362 5.162 1.00 0.00 H new ATOM 990 N ASP A 64 8.387 -1.354 2.308 1.00 0.00 N ATOM 991 CA ASP A 64 9.179 -0.519 1.404 1.00 0.00 C ATOM 992 C ASP A 64 8.257 0.278 0.478 1.00 0.00 C ATOM 993 O ASP A 64 7.092 -0.078 0.275 1.00 0.00 O ATOM 994 CB ASP A 64 10.181 -1.368 0.615 1.00 0.00 C ATOM 995 CG ASP A 64 11.249 -1.965 1.529 1.00 0.00 C ATOM 996 OD1 ASP A 64 11.997 -1.199 2.176 1.00 0.00 O ATOM 997 OD2 ASP A 64 11.321 -3.213 1.635 1.00 0.00 O ATOM 0 H ASP A 64 8.181 -2.274 1.920 1.00 0.00 H new ATOM 0 HA ASP A 64 9.756 0.192 1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.653 -2.170 0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.657 -0.754 -0.150 1.00 0.00 H new ATOM 1002 N VAL A 65 8.773 1.355 -0.116 1.00 0.00 N ATOM 1003 CA VAL A 65 7.969 2.455 -0.648 1.00 0.00 C ATOM 1004 C VAL A 65 8.264 2.618 -2.144 1.00 0.00 C ATOM 1005 O VAL A 65 9.432 2.626 -2.530 1.00 0.00 O ATOM 1006 CB VAL A 65 8.244 3.715 0.221 1.00 0.00 C ATOM 1007 CG1 VAL A 65 8.179 3.394 1.733 1.00 0.00 C ATOM 1008 CG2 VAL A 65 9.615 4.363 -0.033 1.00 0.00 C ATOM 0 H VAL A 65 9.776 1.489 -0.243 1.00 0.00 H new ATOM 0 HA VAL A 65 6.898 2.263 -0.586 1.00 0.00 H new ATOM 0 HB VAL A 65 7.459 4.411 -0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.377 4.300 2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.188 3.016 1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.927 2.640 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.730 5.235 0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.404 3.643 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.684 4.671 -1.076 1.00 0.00 H new ATOM 1018 N GLU A 66 7.240 2.633 -3.012 1.00 0.00 N ATOM 1019 CA GLU A 66 7.450 2.643 -4.463 1.00 0.00 C ATOM 1020 C GLU A 66 6.187 3.129 -5.201 1.00 0.00 C ATOM 1021 O GLU A 66 5.112 3.222 -4.605 1.00 0.00 O ATOM 1022 CB GLU A 66 7.820 1.198 -4.875 1.00 0.00 C ATOM 1023 CG GLU A 66 8.492 0.977 -6.236 1.00 0.00 C ATOM 1024 CD GLU A 66 9.597 1.981 -6.563 1.00 0.00 C ATOM 1025 OE1 GLU A 66 9.271 3.112 -7.000 1.00 0.00 O ATOM 1026 OE2 GLU A 66 10.793 1.635 -6.461 1.00 0.00 O ATOM 0 H GLU A 66 6.259 2.638 -2.731 1.00 0.00 H new ATOM 0 HA GLU A 66 8.249 3.334 -4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.481 0.793 -4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.907 0.603 -4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.912 -0.029 -6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.732 1.025 -7.015 1.00 0.00 H new ATOM 1033 N PHE A 67 6.280 3.317 -6.518 1.00 0.00 N ATOM 1034 CA PHE A 67 5.158 3.351 -7.460 1.00 0.00 C ATOM 1035 C PHE A 67 5.543 2.460 -8.641 1.00 0.00 C ATOM 1036 O PHE A 67 6.731 2.294 -8.911 1.00 0.00 O ATOM 1037 CB PHE A 67 4.875 4.783 -7.947 1.00 0.00 C ATOM 1038 CG PHE A 67 5.708 5.274 -9.124 1.00 0.00 C ATOM 1039 CD1 PHE A 67 7.116 5.316 -9.058 1.00 0.00 C ATOM 1040 CD2 PHE A 67 5.067 5.620 -10.329 1.00 0.00 C ATOM 1041 CE1 PHE A 67 7.866 5.683 -10.187 1.00 0.00 C ATOM 1042 CE2 PHE A 67 5.817 6.023 -11.447 1.00 0.00 C ATOM 1043 CZ PHE A 67 7.219 6.056 -11.376 1.00 0.00 C ATOM 0 H PHE A 67 7.179 3.456 -6.979 1.00 0.00 H new ATOM 0 HA PHE A 67 4.249 2.997 -6.973 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.822 4.849 -8.222 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.029 5.465 -7.111 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.619 5.065 -8.136 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.990 5.575 -10.395 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.945 5.678 -10.141 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.315 6.307 -12.360 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.798 6.367 -12.233 1.00 0.00 H new ATOM 1053 N ILE A 68 4.588 1.913 -9.386 1.00 0.00 N ATOM 1054 CA ILE A 68 4.861 1.295 -10.675 1.00 0.00 C ATOM 1055 C ILE A 68 3.689 1.686 -11.567 1.00 0.00 C ATOM 1056 O ILE A 68 2.542 1.613 -11.125 1.00 0.00 O ATOM 1057 CB ILE A 68 5.000 -0.242 -10.566 1.00 0.00 C ATOM 1058 CG1 ILE A 68 5.950 -0.762 -9.457 1.00 0.00 C ATOM 1059 CG2 ILE A 68 5.411 -0.790 -11.951 1.00 0.00 C ATOM 1060 CD1 ILE A 68 7.431 -0.722 -9.827 1.00 0.00 C ATOM 0 H ILE A 68 3.606 1.886 -9.112 1.00 0.00 H new ATOM 0 HA ILE A 68 5.812 1.638 -11.082 1.00 0.00 H new ATOM 0 HB ILE A 68 4.025 -0.617 -10.255 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.797 -0.168 -8.556 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.676 -1.788 -9.213 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.515 -1.874 -11.897 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.647 -0.535 -12.685 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.362 -0.349 -12.249 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.024 -1.103 -8.996 1.00 0.00 H new ATOM 0 HD12 ILE A 68 7.603 -1.340 -10.708 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.725 0.306 -10.041 1.00 0.00 H new ATOM 1072 N GLY A 69 3.976 2.078 -12.807 1.00 0.00 N ATOM 1073 CA GLY A 69 2.959 2.529 -13.735 1.00 0.00 C ATOM 1074 C GLY A 69 2.410 3.890 -13.330 1.00 0.00 C ATOM 1075 O GLY A 69 2.942 4.568 -12.449 1.00 0.00 O ATOM 0 H GLY A 69 4.921 2.089 -13.190 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.379 2.587 -14.739 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.147 1.802 -13.771 1.00 0.00 H new ATOM 1079 N ALA A 70 1.349 4.305 -14.016 1.00 0.00 N ATOM 1080 CA ALA A 70 0.503 5.391 -13.558 1.00 0.00 C ATOM 1081 C ALA A 70 -0.521 4.983 -12.472 1.00 0.00 C ATOM 1082 O ALA A 70 -0.871 5.870 -11.687 1.00 0.00 O ATOM 1083 CB ALA A 70 -0.190 6.021 -14.766 1.00 0.00 C ATOM 0 H ALA A 70 1.056 3.896 -14.903 1.00 0.00 H new ATOM 0 HA ALA A 70 1.149 6.119 -13.067 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.829 6.839 -14.433 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.561 6.405 -15.457 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.797 5.269 -15.271 1.00 0.00 H new ATOM 1089 N PRO A 71 -1.066 3.746 -12.400 1.00 0.00 N ATOM 1090 CA PRO A 71 -2.009 3.366 -11.355 1.00 0.00 C ATOM 1091 C PRO A 71 -1.260 2.899 -10.097 1.00 0.00 C ATOM 1092 O PRO A 71 -0.062 3.126 -9.935 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.861 2.267 -11.994 1.00 0.00 C ATOM 1094 CG PRO A 71 -1.840 1.507 -12.828 1.00 0.00 C ATOM 1095 CD PRO A 71 -0.940 2.633 -13.336 1.00 0.00 C ATOM 0 HA PRO A 71 -2.634 4.191 -11.013 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.330 1.629 -11.245 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.662 2.679 -12.608 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.287 0.780 -12.233 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.308 0.959 -13.646 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.096 2.299 -13.398 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.237 2.939 -14.339 1.00 0.00 H new ATOM 1103 N THR A 72 -1.975 2.266 -9.168 1.00 0.00 N ATOM 1104 CA THR A 72 -1.401 1.621 -7.998 1.00 0.00 C ATOM 1105 C THR A 72 -0.474 0.450 -8.390 1.00 0.00 C ATOM 1106 O THR A 72 -0.306 0.123 -9.565 1.00 0.00 O ATOM 1107 CB THR A 72 -2.572 1.228 -7.075 1.00 0.00 C ATOM 1108 OG1 THR A 72 -3.639 0.616 -7.775 1.00 0.00 O ATOM 1109 CG2 THR A 72 -3.172 2.483 -6.434 1.00 0.00 C ATOM 0 H THR A 72 -2.991 2.188 -9.213 1.00 0.00 H new ATOM 0 HA THR A 72 -0.743 2.297 -7.452 1.00 0.00 H new ATOM 0 HB THR A 72 -2.154 0.534 -6.346 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.289 -0.106 -8.338 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.999 2.199 -5.783 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.408 2.993 -5.848 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.537 3.151 -7.214 1.00 0.00 H new ATOM 1117 N LYS A 73 0.182 -0.161 -7.392 1.00 0.00 N ATOM 1118 CA LYS A 73 1.378 -1.002 -7.545 1.00 0.00 C ATOM 1119 C LYS A 73 1.078 -2.418 -8.070 1.00 0.00 C ATOM 1120 O LYS A 73 1.877 -3.322 -7.842 1.00 0.00 O ATOM 1121 CB LYS A 73 2.119 -1.013 -6.201 1.00 0.00 C ATOM 1122 CG LYS A 73 3.552 -1.573 -6.280 1.00 0.00 C ATOM 1123 CD LYS A 73 4.629 -0.560 -5.908 1.00 0.00 C ATOM 1124 CE LYS A 73 4.469 -0.026 -4.482 1.00 0.00 C ATOM 1125 NZ LYS A 73 5.364 -0.584 -3.450 1.00 0.00 N ATOM 0 H LYS A 73 -0.117 -0.080 -6.420 1.00 0.00 H new ATOM 0 HA LYS A 73 2.014 -0.572 -8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.158 0.004 -5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.547 -1.606 -5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.632 -2.435 -5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.737 -1.931 -7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.610 -1.024 -6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.596 0.273 -6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.614 1.054 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.440 -0.202 -4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.800 -0.900 -2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.887 -1.392 -3.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.037 0.147 -3.142 1.00 0.00 H new ATOM 1139 N GLU A 74 -0.053 -2.642 -8.730 1.00 0.00 N ATOM 1140 CA GLU A 74 -0.489 -3.894 -9.337 1.00 0.00 C ATOM 1141 C GLU A 74 0.646 -4.742 -9.950 1.00 0.00 C ATOM 1142 O GLU A 74 0.662 -5.964 -9.769 1.00 0.00 O ATOM 1143 CB GLU A 74 -1.577 -3.563 -10.369 1.00 0.00 C ATOM 1144 CG GLU A 74 -2.993 -3.719 -9.790 1.00 0.00 C ATOM 1145 CD GLU A 74 -3.543 -2.473 -9.086 1.00 0.00 C ATOM 1146 OE1 GLU A 74 -2.801 -1.757 -8.376 1.00 0.00 O ATOM 1147 OE2 GLU A 74 -4.746 -2.188 -9.305 1.00 0.00 O ATOM 0 H GLU A 74 -0.739 -1.899 -8.864 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.884 -4.531 -8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.441 -2.541 -10.722 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.466 -4.217 -11.234 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.672 -3.992 -10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.991 -4.548 -9.082 1.00 0.00 H new ATOM 1154 N ALA A 75 1.608 -4.109 -10.628 1.00 0.00 N ATOM 1155 CA ALA A 75 2.812 -4.725 -11.172 1.00 0.00 C ATOM 1156 C ALA A 75 3.582 -5.503 -10.103 1.00 0.00 C ATOM 1157 O ALA A 75 3.730 -6.720 -10.197 1.00 0.00 O ATOM 1158 CB ALA A 75 3.705 -3.631 -11.761 1.00 0.00 C ATOM 0 H ALA A 75 1.562 -3.108 -10.819 1.00 0.00 H new ATOM 0 HA ALA A 75 2.518 -5.434 -11.946 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.609 -4.081 -12.171 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.168 -3.110 -12.553 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.975 -2.922 -10.979 1.00 0.00 H new ATOM 1164 N LEU A 76 4.100 -4.798 -9.094 1.00 0.00 N ATOM 1165 CA LEU A 76 4.861 -5.406 -8.006 1.00 0.00 C ATOM 1166 C LEU A 76 3.958 -6.269 -7.134 1.00 0.00 C ATOM 1167 O LEU A 76 4.420 -7.227 -6.527 1.00 0.00 O ATOM 1168 CB LEU A 76 5.520 -4.308 -7.146 1.00 0.00 C ATOM 1169 CG LEU A 76 7.003 -4.544 -6.823 1.00 0.00 C ATOM 1170 CD1 LEU A 76 7.286 -5.911 -6.194 1.00 0.00 C ATOM 1171 CD2 LEU A 76 7.833 -4.353 -8.092 1.00 0.00 C ATOM 0 H LEU A 76 4.002 -3.786 -9.011 1.00 0.00 H new ATOM 0 HA LEU A 76 5.635 -6.039 -8.440 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.423 -3.354 -7.664 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.969 -4.220 -6.210 1.00 0.00 H new ATOM 0 HG LEU A 76 7.287 -3.809 -6.070 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.353 -6.006 -5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.732 -6.003 -5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.974 -6.699 -6.880 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.886 -4.520 -7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.507 -5.065 -8.850 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.698 -3.338 -8.466 1.00 0.00 H new ATOM 1183 N VAL A 77 2.671 -5.950 -7.053 1.00 0.00 N ATOM 1184 CA VAL A 77 1.704 -6.717 -6.289 1.00 0.00 C ATOM 1185 C VAL A 77 1.593 -8.136 -6.887 1.00 0.00 C ATOM 1186 O VAL A 77 1.546 -9.109 -6.134 1.00 0.00 O ATOM 1187 CB VAL A 77 0.411 -5.881 -6.191 1.00 0.00 C ATOM 1188 CG1 VAL A 77 -0.831 -6.614 -5.691 1.00 0.00 C ATOM 1189 CG2 VAL A 77 0.640 -4.675 -5.256 1.00 0.00 C ATOM 0 H VAL A 77 2.268 -5.140 -7.524 1.00 0.00 H new ATOM 0 HA VAL A 77 2.000 -6.901 -5.256 1.00 0.00 H new ATOM 0 HB VAL A 77 0.206 -5.596 -7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.675 -5.924 -5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.060 -7.442 -6.362 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.647 -7.000 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.275 -4.087 -5.190 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.915 -5.031 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.442 -4.053 -5.654 1.00 0.00 H new ATOM 1199 N GLU A 78 1.715 -8.305 -8.211 1.00 0.00 N ATOM 1200 CA GLU A 78 1.851 -9.640 -8.802 1.00 0.00 C ATOM 1201 C GLU A 78 3.123 -10.393 -8.352 1.00 0.00 C ATOM 1202 O GLU A 78 3.166 -11.614 -8.509 1.00 0.00 O ATOM 1203 CB GLU A 78 1.804 -9.571 -10.338 1.00 0.00 C ATOM 1204 CG GLU A 78 0.402 -9.289 -10.904 1.00 0.00 C ATOM 1205 CD GLU A 78 0.003 -10.356 -11.925 1.00 0.00 C ATOM 1206 OE1 GLU A 78 -0.229 -11.515 -11.507 1.00 0.00 O ATOM 1207 OE2 GLU A 78 0.008 -10.065 -13.144 1.00 0.00 O ATOM 0 H GLU A 78 1.722 -7.541 -8.886 1.00 0.00 H new ATOM 0 HA GLU A 78 0.999 -10.210 -8.432 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.486 -8.792 -10.678 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.167 -10.514 -10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.325 -9.266 -10.092 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.386 -8.306 -11.374 1.00 0.00 H new ATOM 1214 N ALA A 79 4.134 -9.730 -7.779 1.00 0.00 N ATOM 1215 CA ALA A 79 5.324 -10.367 -7.214 1.00 0.00 C ATOM 1216 C ALA A 79 5.107 -10.688 -5.730 1.00 0.00 C ATOM 1217 O ALA A 79 5.402 -11.806 -5.287 1.00 0.00 O ATOM 1218 CB ALA A 79 6.552 -9.465 -7.373 1.00 0.00 C ATOM 0 H ALA A 79 4.146 -8.714 -7.694 1.00 0.00 H new ATOM 0 HA ALA A 79 5.498 -11.295 -7.758 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.424 -9.959 -6.946 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.727 -9.271 -8.431 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.380 -8.521 -6.855 1.00 0.00 H new ATOM 1224 N ILE A 80 4.604 -9.724 -4.943 1.00 0.00 N ATOM 1225 CA ILE A 80 4.315 -9.945 -3.525 1.00 0.00 C ATOM 1226 C ILE A 80 3.270 -11.049 -3.316 1.00 0.00 C ATOM 1227 O ILE A 80 3.262 -11.664 -2.252 1.00 0.00 O ATOM 1228 CB ILE A 80 3.939 -8.635 -2.789 1.00 0.00 C ATOM 1229 CG1 ILE A 80 2.439 -8.265 -2.889 1.00 0.00 C ATOM 1230 CG2 ILE A 80 4.888 -7.491 -3.175 1.00 0.00 C ATOM 1231 CD1 ILE A 80 2.090 -6.868 -2.362 1.00 0.00 C ATOM 0 H ILE A 80 4.390 -8.782 -5.270 1.00 0.00 H new ATOM 0 HA ILE A 80 5.240 -10.298 -3.070 1.00 0.00 H new ATOM 0 HB ILE A 80 4.084 -8.821 -1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.130 -8.333 -3.932 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.858 -9.003 -2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.600 -6.584 -2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.910 -7.760 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.829 -7.316 -4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.019 -6.695 -2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.363 -6.798 -1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.639 -6.117 -2.930 1.00 0.00 H new ATOM 1243 N LYS A 81 2.400 -11.319 -4.300 1.00 0.00 N ATOM 1244 CA LYS A 81 1.450 -12.428 -4.216 1.00 0.00 C ATOM 1245 C LYS A 81 2.169 -13.769 -4.167 1.00 0.00 C ATOM 1246 O LYS A 81 1.783 -14.650 -3.403 1.00 0.00 O ATOM 1247 CB LYS A 81 0.433 -12.370 -5.374 1.00 0.00 C ATOM 1248 CG LYS A 81 0.774 -13.137 -6.661 1.00 0.00 C ATOM 1249 CD LYS A 81 -0.245 -12.890 -7.776 1.00 0.00 C ATOM 1250 CE LYS A 81 0.101 -13.727 -9.010 1.00 0.00 C ATOM 1251 NZ LYS A 81 1.209 -13.157 -9.798 1.00 0.00 N ATOM 0 H LYS A 81 2.338 -10.780 -5.164 1.00 0.00 H new ATOM 0 HA LYS A 81 0.895 -12.326 -3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.521 -12.745 -5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.283 -11.323 -5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.765 -12.840 -7.006 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.819 -14.204 -6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.246 -13.143 -7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.258 -11.832 -8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.367 -14.736 -8.695 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.782 -13.813 -9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.730 -13.924 -10.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.827 -12.506 -10.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.853 -12.638 -9.167 1.00 0.00 H new ATOM 1265 N LYS A 82 3.151 -13.951 -5.054 1.00 0.00 N ATOM 1266 CA LYS A 82 3.713 -15.262 -5.327 1.00 0.00 C ATOM 1267 C LYS A 82 4.789 -15.553 -4.302 1.00 0.00 C ATOM 1268 O LYS A 82 4.750 -16.606 -3.677 1.00 0.00 O ATOM 1269 CB LYS A 82 4.138 -15.405 -6.806 1.00 0.00 C ATOM 1270 CG LYS A 82 5.115 -14.381 -7.414 1.00 0.00 C ATOM 1271 CD LYS A 82 6.586 -14.612 -7.019 1.00 0.00 C ATOM 1272 CE LYS A 82 7.469 -14.860 -8.245 1.00 0.00 C ATOM 1273 NZ LYS A 82 8.646 -15.684 -7.907 1.00 0.00 N ATOM 0 H LYS A 82 3.571 -13.196 -5.596 1.00 0.00 H new ATOM 0 HA LYS A 82 2.959 -16.041 -5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.584 -16.393 -6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.231 -15.390 -7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.031 -14.414 -8.500 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.818 -13.380 -7.102 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.957 -13.745 -6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.652 -15.466 -6.344 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.886 -15.358 -9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.798 -13.906 -8.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.204 -15.861 -8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.233 -15.182 -7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.332 -16.590 -7.506 1.00 0.00 H new ATOM 1287 N ARG A 83 5.709 -14.602 -4.104 1.00 0.00 N ATOM 1288 CA ARG A 83 6.996 -14.692 -3.415 1.00 0.00 C ATOM 1289 C ARG A 83 7.907 -15.810 -3.913 1.00 0.00 C ATOM 1290 O ARG A 83 9.034 -15.531 -4.318 1.00 0.00 O ATOM 1291 CB ARG A 83 6.804 -14.758 -1.896 1.00 0.00 C ATOM 1292 CG ARG A 83 6.434 -13.390 -1.326 1.00 0.00 C ATOM 1293 CD ARG A 83 6.548 -13.473 0.200 1.00 0.00 C ATOM 1294 NE ARG A 83 6.331 -12.182 0.861 1.00 0.00 N ATOM 1295 CZ ARG A 83 7.273 -11.309 1.231 1.00 0.00 C ATOM 1296 NH1 ARG A 83 8.540 -11.466 0.873 1.00 0.00 N ATOM 1297 NH2 ARG A 83 6.944 -10.252 1.961 1.00 0.00 N ATOM 0 H ARG A 83 5.553 -13.658 -4.458 1.00 0.00 H new ATOM 0 HA ARG A 83 7.522 -13.771 -3.665 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.022 -15.478 -1.657 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.720 -15.115 -1.426 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.099 -12.620 -1.718 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.421 -13.115 -1.619 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.821 -14.194 0.575 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.536 -13.849 0.465 1.00 0.00 H new ATOM 0 HE ARG A 83 5.364 -11.924 1.058 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.813 -12.266 0.303 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.241 -10.786 1.168 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.974 -10.106 2.239 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.661 -9.585 2.244 1.00 0.00 H new ATOM 1311 N LEU A 84 7.440 -17.044 -3.853 1.00 0.00 N ATOM 1312 CA LEU A 84 8.199 -18.269 -4.069 1.00 0.00 C ATOM 1313 C LEU A 84 8.425 -18.498 -5.544 1.00 0.00 C ATOM 1314 O LEU A 84 9.283 -19.345 -5.879 1.00 0.00 O ATOM 1315 CB LEU A 84 7.455 -19.460 -3.431 1.00 0.00 C ATOM 1316 CG LEU A 84 7.710 -19.649 -1.924 1.00 0.00 C ATOM 1317 CD1 LEU A 84 9.152 -20.079 -1.640 1.00 0.00 C ATOM 1318 CD2 LEU A 84 7.392 -18.382 -1.125 1.00 0.00 C ATOM 1319 OXT LEU A 84 7.763 -17.848 -6.379 1.00 0.00 O ATOM 0 H LEU A 84 6.461 -17.232 -3.639 1.00 0.00 H new ATOM 0 HA LEU A 84 9.175 -18.174 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.385 -19.329 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.745 -20.373 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 84 7.036 -20.443 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.290 -20.201 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.355 -21.025 -2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.838 -19.317 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.586 -18.560 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.020 -17.563 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.343 -18.119 -1.262 1.00 0.00 H new TER 1331 LEU A 84