USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 650 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 37 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 59 SER OG : rot 180:sc= -0.0485 USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 48 MET CE :methyl 174:sc= -3.48! (180deg=-3.56!) USER MOD Set 3.1: A 34 ASN : amide:sc= -5.99! C(o=-6!,f=-8.2!) USER MOD Set 3.2: A 43 ASN : amide:sc= 0.00613 K(o=-6,f=-7.4!) USER MOD Set 3.3: A 45 LYS NZ :NH3+ -147:sc= -0.037 (180deg=-0.362) USER MOD Set 4.1: A 12 THR OG1 : rot -129:sc= -0.889! USER MOD Set 4.2: A 15 HIS : no HE2:sc= -25.8! C(o=-27!,f=-46!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -20.7! C(o=-21!,f=-13!) USER MOD Single : A 20 THR OG1 : rot 111:sc= -1.33! USER MOD Single : A 24 GLN : amide:sc= -0.116 K(o=-0.12,f=-1) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -61:sc= -1.65 USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= 0.9 (180deg=-0.09!) USER MOD Single : A 30 ASN : amide:sc= -0.0479 K(o=-0.048,f=-0.81) USER MOD Single : A 31 SER OG : rot -131:sc= -6.77! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -161:sc= -4.23! (180deg=-5.61!) USER MOD Single : A 41 SER OG : rot -24:sc= 1.01 USER MOD Single : A 51 MET CE :methyl 162:sc= -3.78! (180deg=-4.29!) USER MOD Single : A 52 SER OG : rot -12:sc= 1.17 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 62 THR OG1 : rot 60:sc= -8.66! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 74 MET CE :methyl -162:sc= -3.24 (180deg=-4.49!) USER MOD Single : A 80 THR OG1 : rot 110:sc= -4.47! USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -2.087 -9.743 -8.854 1.00 1.00 N ATOM 19 CA GLU A 2 -2.298 -8.516 -9.604 1.00 1.00 C ATOM 20 C GLU A 2 -1.871 -7.306 -8.772 1.00 1.00 C ATOM 21 O GLU A 2 -1.495 -7.448 -7.610 1.00 1.00 O ATOM 22 CB GLU A 2 -3.757 -8.389 -10.048 1.00 1.00 C ATOM 23 CG GLU A 2 -4.255 -9.694 -10.674 1.00 1.00 C ATOM 24 CD GLU A 2 -5.642 -9.510 -11.293 1.00 1.00 C ATOM 25 OE1 GLU A 2 -5.779 -8.575 -12.112 1.00 1.00 O ATOM 26 OE2 GLU A 2 -6.534 -10.308 -10.935 1.00 1.00 O ATOM 0 HA GLU A 2 -1.681 -8.551 -10.502 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -4.380 -8.131 -9.192 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -3.852 -7.576 -10.768 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -3.553 -10.026 -11.439 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -4.292 -10.475 -9.915 1.00 1.00 H new ATOM 33 N LYS A 3 -1.944 -6.141 -9.400 1.00 1.00 N ATOM 34 CA LYS A 3 -1.569 -4.906 -8.732 1.00 1.00 C ATOM 35 C LYS A 3 -2.760 -3.945 -8.741 1.00 1.00 C ATOM 36 O LYS A 3 -3.656 -4.069 -9.574 1.00 1.00 O ATOM 37 CB LYS A 3 -0.302 -4.321 -9.358 1.00 1.00 C ATOM 38 CG LYS A 3 -0.603 -3.002 -10.074 1.00 1.00 C ATOM 39 CD LYS A 3 0.518 -2.641 -11.051 1.00 1.00 C ATOM 40 CE LYS A 3 0.551 -3.614 -12.231 1.00 1.00 C ATOM 41 NZ LYS A 3 0.492 -2.876 -13.513 1.00 1.00 N ATOM 0 H LYS A 3 -2.257 -6.026 -10.364 1.00 1.00 H new ATOM 0 HA LYS A 3 -1.321 -5.098 -7.688 1.00 1.00 H new ATOM 0 HB2 LYS A 3 0.448 -4.156 -8.584 1.00 1.00 H new ATOM 0 HB3 LYS A 3 0.121 -5.034 -10.065 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -1.547 -3.083 -10.612 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -0.722 -2.205 -9.340 1.00 1.00 H new ATOM 0 HD2 LYS A 3 0.373 -1.625 -11.417 1.00 1.00 H new ATOM 0 HD3 LYS A 3 1.477 -2.659 -10.533 1.00 1.00 H new ATOM 0 HE2 LYS A 3 1.461 -4.213 -12.191 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -0.289 -4.305 -12.164 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 0.515 -3.551 -14.304 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -0.388 -2.324 -13.555 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 1.307 -2.234 -13.582 1.00 1.00 H new ATOM 55 N LYS A 4 -2.730 -3.009 -7.804 1.00 1.00 N ATOM 56 CA LYS A 4 -3.796 -2.027 -7.693 1.00 1.00 C ATOM 57 C LYS A 4 -3.190 -0.654 -7.394 1.00 1.00 C ATOM 58 O LYS A 4 -2.603 -0.449 -6.333 1.00 1.00 O ATOM 59 CB LYS A 4 -4.835 -2.478 -6.665 1.00 1.00 C ATOM 60 CG LYS A 4 -6.082 -1.593 -6.722 1.00 1.00 C ATOM 61 CD LYS A 4 -6.923 -1.910 -7.960 1.00 1.00 C ATOM 62 CE LYS A 4 -8.161 -1.013 -8.027 1.00 1.00 C ATOM 63 NZ LYS A 4 -8.967 -1.329 -9.227 1.00 1.00 N ATOM 0 H LYS A 4 -1.985 -2.909 -7.115 1.00 1.00 H new ATOM 0 HA LYS A 4 -4.333 -1.940 -8.637 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -5.112 -3.515 -6.853 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -4.403 -2.440 -5.665 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -6.680 -1.743 -5.823 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -5.787 -0.544 -6.737 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -6.321 -1.772 -8.858 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -7.228 -2.956 -7.938 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -8.765 -1.150 -7.130 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -7.858 0.034 -8.051 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -9.803 -0.711 -9.256 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -8.393 -1.176 -10.081 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -9.272 -2.322 -9.188 1.00 1.00 H new ATOM 77 N GLU A 5 -3.354 0.250 -8.348 1.00 1.00 N ATOM 78 CA GLU A 5 -2.830 1.598 -8.199 1.00 1.00 C ATOM 79 C GLU A 5 -3.848 2.486 -7.480 1.00 1.00 C ATOM 80 O GLU A 5 -5.053 2.268 -7.588 1.00 1.00 O ATOM 81 CB GLU A 5 -2.448 2.190 -9.557 1.00 1.00 C ATOM 82 CG GLU A 5 -1.563 1.224 -10.347 1.00 1.00 C ATOM 83 CD GLU A 5 -2.305 0.674 -11.568 1.00 1.00 C ATOM 84 OE1 GLU A 5 -2.432 1.441 -12.547 1.00 1.00 O ATOM 85 OE2 GLU A 5 -2.728 -0.500 -11.494 1.00 1.00 O ATOM 0 H GLU A 5 -3.842 0.076 -9.227 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.926 1.551 -7.593 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -3.350 2.412 -10.128 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -1.923 3.134 -9.411 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -0.656 1.736 -10.668 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -1.253 0.400 -9.704 1.00 1.00 H new ATOM 92 N PHE A 6 -3.324 3.470 -6.763 1.00 1.00 N ATOM 93 CA PHE A 6 -4.171 4.392 -6.027 1.00 1.00 C ATOM 94 C PHE A 6 -3.528 5.777 -5.939 1.00 1.00 C ATOM 95 O PHE A 6 -2.471 6.012 -6.523 1.00 1.00 O ATOM 96 CB PHE A 6 -4.328 3.825 -4.614 1.00 1.00 C ATOM 97 CG PHE A 6 -4.844 2.385 -4.575 1.00 1.00 C ATOM 98 CD1 PHE A 6 -3.976 1.348 -4.721 1.00 1.00 C ATOM 99 CD2 PHE A 6 -6.169 2.142 -4.396 1.00 1.00 C ATOM 100 CE1 PHE A 6 -4.454 0.012 -4.685 1.00 1.00 C ATOM 101 CE2 PHE A 6 -6.648 0.806 -4.359 1.00 1.00 C ATOM 102 CZ PHE A 6 -5.780 -0.231 -4.505 1.00 1.00 C ATOM 0 H PHE A 6 -2.323 3.648 -6.677 1.00 1.00 H new ATOM 0 HA PHE A 6 -5.131 4.498 -6.532 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -3.364 3.869 -4.107 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -5.013 4.461 -4.052 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -2.923 1.541 -4.864 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -6.858 2.966 -4.282 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -3.765 -0.811 -4.801 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -7.701 0.613 -4.215 1.00 1.00 H new ATOM 0 HZ PHE A 6 -6.144 -1.248 -4.478 1.00 1.00 H new ATOM 112 N HIS A 7 -4.192 6.658 -5.206 1.00 1.00 N ATOM 113 CA HIS A 7 -3.698 8.014 -5.034 1.00 1.00 C ATOM 114 C HIS A 7 -4.182 8.571 -3.694 1.00 1.00 C ATOM 115 O HIS A 7 -5.337 8.377 -3.318 1.00 1.00 O ATOM 116 CB HIS A 7 -4.099 8.892 -6.221 1.00 1.00 C ATOM 117 CG HIS A 7 -4.424 10.318 -5.846 1.00 1.00 C ATOM 118 ND1 HIS A 7 -3.853 11.408 -6.480 1.00 1.00 N ATOM 119 CD2 HIS A 7 -5.267 10.821 -4.899 1.00 1.00 C ATOM 120 CE1 HIS A 7 -4.337 12.512 -5.930 1.00 1.00 C ATOM 121 NE2 HIS A 7 -5.213 12.146 -4.950 1.00 1.00 N ATOM 0 H HIS A 7 -5.069 6.459 -4.724 1.00 1.00 H new ATOM 0 HA HIS A 7 -2.608 8.008 -5.012 1.00 1.00 H new ATOM 0 HB2 HIS A 7 -3.288 8.894 -6.949 1.00 1.00 H new ATOM 0 HB3 HIS A 7 -4.966 8.449 -6.711 1.00 1.00 H new ATOM 0 HD2 HIS A 7 -5.875 10.239 -4.222 1.00 1.00 H new ATOM 0 HE1 HIS A 7 -4.083 13.524 -6.209 1.00 1.00 H new ATOM 0 HE2 HIS A 7 -5.740 12.785 -4.355 1.00 1.00 H new ATOM 129 N ILE A 8 -3.274 9.251 -3.010 1.00 1.00 N ATOM 130 CA ILE A 8 -3.593 9.837 -1.719 1.00 1.00 C ATOM 131 C ILE A 8 -4.640 10.938 -1.909 1.00 1.00 C ATOM 132 O ILE A 8 -4.437 11.863 -2.693 1.00 1.00 O ATOM 133 CB ILE A 8 -2.320 10.314 -1.017 1.00 1.00 C ATOM 134 CG1 ILE A 8 -1.319 9.168 -0.860 1.00 1.00 C ATOM 135 CG2 ILE A 8 -2.648 10.976 0.323 1.00 1.00 C ATOM 136 CD1 ILE A 8 -2.040 7.832 -0.669 1.00 1.00 C ATOM 0 H ILE A 8 -2.317 9.409 -3.325 1.00 1.00 H new ATOM 0 HA ILE A 8 -4.032 9.089 -1.059 1.00 1.00 H new ATOM 0 HB ILE A 8 -1.848 11.071 -1.643 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -0.678 9.117 -1.740 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -0.671 9.361 -0.005 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -1.726 11.306 0.801 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.297 11.835 0.155 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.155 10.259 0.969 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -1.305 7.034 -0.560 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -2.661 7.878 0.226 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.668 7.630 -1.537 1.00 1.00 H new ATOM 148 N VAL A 9 -5.736 10.800 -1.177 1.00 1.00 N ATOM 149 CA VAL A 9 -6.814 11.771 -1.255 1.00 1.00 C ATOM 150 C VAL A 9 -7.088 12.335 0.140 1.00 1.00 C ATOM 151 O VAL A 9 -8.118 12.968 0.366 1.00 1.00 O ATOM 152 CB VAL A 9 -8.048 11.132 -1.895 1.00 1.00 C ATOM 153 CG1 VAL A 9 -7.817 10.861 -3.383 1.00 1.00 C ATOM 154 CG2 VAL A 9 -8.446 9.850 -1.160 1.00 1.00 C ATOM 0 H VAL A 9 -5.900 10.031 -0.528 1.00 1.00 H new ATOM 0 HA VAL A 9 -6.530 12.607 -1.893 1.00 1.00 H new ATOM 0 HB VAL A 9 -8.873 11.839 -1.807 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -8.710 10.407 -3.813 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -7.605 11.800 -3.895 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -6.972 10.183 -3.502 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -9.326 9.416 -1.635 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -7.623 9.137 -1.201 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.673 10.083 -0.120 1.00 1.00 H new ATOM 164 N ALA A 10 -6.149 12.085 1.040 1.00 1.00 N ATOM 165 CA ALA A 10 -6.276 12.560 2.407 1.00 1.00 C ATOM 166 C ALA A 10 -5.391 13.793 2.599 1.00 1.00 C ATOM 167 O ALA A 10 -5.569 14.547 3.555 1.00 1.00 O ATOM 168 CB ALA A 10 -5.919 11.431 3.376 1.00 1.00 C ATOM 0 H ALA A 10 -5.296 11.559 0.849 1.00 1.00 H new ATOM 0 HA ALA A 10 -7.304 12.856 2.615 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -6.014 11.788 4.401 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -6.595 10.590 3.220 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -4.893 11.109 3.198 1.00 1.00 H new ATOM 174 N GLU A 11 -4.457 13.962 1.674 1.00 1.00 N ATOM 175 CA GLU A 11 -3.545 15.091 1.729 1.00 1.00 C ATOM 176 C GLU A 11 -2.973 15.243 3.139 1.00 1.00 C ATOM 177 O GLU A 11 -2.437 16.295 3.486 1.00 1.00 O ATOM 178 CB GLU A 11 -4.237 16.378 1.276 1.00 1.00 C ATOM 179 CG GLU A 11 -5.284 16.826 2.298 1.00 1.00 C ATOM 180 CD GLU A 11 -5.731 18.264 2.029 1.00 1.00 C ATOM 181 OE1 GLU A 11 -4.937 19.175 2.349 1.00 1.00 O ATOM 182 OE2 GLU A 11 -6.858 18.421 1.510 1.00 1.00 O ATOM 0 H GLU A 11 -4.313 13.335 0.882 1.00 1.00 H new ATOM 0 HA GLU A 11 -2.720 14.900 1.042 1.00 1.00 H new ATOM 0 HB2 GLU A 11 -3.496 17.165 1.140 1.00 1.00 H new ATOM 0 HB3 GLU A 11 -4.713 16.218 0.309 1.00 1.00 H new ATOM 0 HG2 GLU A 11 -6.146 16.160 2.257 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -4.871 16.752 3.304 1.00 1.00 H new ATOM 189 N THR A 12 -3.106 14.177 3.916 1.00 1.00 N ATOM 190 CA THR A 12 -2.609 14.179 5.281 1.00 1.00 C ATOM 191 C THR A 12 -1.079 14.144 5.292 1.00 1.00 C ATOM 192 O THR A 12 -0.437 15.065 5.795 1.00 1.00 O ATOM 193 CB THR A 12 -3.249 13.002 6.019 1.00 1.00 C ATOM 194 OG1 THR A 12 -3.238 13.401 7.386 1.00 1.00 O ATOM 195 CG2 THR A 12 -2.373 11.747 5.990 1.00 1.00 C ATOM 0 H THR A 12 -3.551 13.306 3.625 1.00 1.00 H new ATOM 0 HA THR A 12 -2.885 15.096 5.801 1.00 1.00 H new ATOM 0 HB THR A 12 -4.219 12.779 5.574 1.00 1.00 H new ATOM 0 HG1 THR A 12 -2.838 12.691 7.931 1.00 1.00 H new ATOM 0 HG21 THR A 12 -2.873 10.942 6.528 1.00 1.00 H new ATOM 0 HG22 THR A 12 -2.205 11.444 4.956 1.00 1.00 H new ATOM 0 HG23 THR A 12 -1.416 11.961 6.465 1.00 1.00 H new ATOM 203 N GLY A 13 -0.540 13.072 4.731 1.00 1.00 N ATOM 204 CA GLY A 13 0.902 12.905 4.670 1.00 1.00 C ATOM 205 C GLY A 13 1.308 11.486 5.075 1.00 1.00 C ATOM 206 O GLY A 13 2.355 11.287 5.689 1.00 1.00 O ATOM 0 H GLY A 13 -1.076 12.310 4.315 1.00 1.00 H new ATOM 0 HA2 GLY A 13 1.253 13.113 3.659 1.00 1.00 H new ATOM 0 HA3 GLY A 13 1.383 13.627 5.330 1.00 1.00 H new ATOM 210 N ILE A 14 0.457 10.536 4.715 1.00 1.00 N ATOM 211 CA ILE A 14 0.713 9.142 5.034 1.00 1.00 C ATOM 212 C ILE A 14 1.520 9.060 6.331 1.00 1.00 C ATOM 213 O ILE A 14 2.720 8.790 6.304 1.00 1.00 O ATOM 214 CB ILE A 14 1.377 8.435 3.850 1.00 1.00 C ATOM 215 CG1 ILE A 14 0.348 8.085 2.773 1.00 1.00 C ATOM 216 CG2 ILE A 14 2.161 7.207 4.315 1.00 1.00 C ATOM 217 CD1 ILE A 14 -0.708 9.185 2.646 1.00 1.00 C ATOM 0 H ILE A 14 -0.410 10.705 4.205 1.00 1.00 H new ATOM 0 HA ILE A 14 -0.224 8.612 5.207 1.00 1.00 H new ATOM 0 HB ILE A 14 2.093 9.122 3.399 1.00 1.00 H new ATOM 0 HG12 ILE A 14 0.851 7.946 1.816 1.00 1.00 H new ATOM 0 HG13 ILE A 14 -0.135 7.139 3.020 1.00 1.00 H new ATOM 0 HG21 ILE A 14 2.623 6.723 3.455 1.00 1.00 H new ATOM 0 HG22 ILE A 14 2.936 7.514 5.018 1.00 1.00 H new ATOM 0 HG23 ILE A 14 1.484 6.507 4.805 1.00 1.00 H new ATOM 0 HD11 ILE A 14 -1.427 8.912 1.874 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -1.225 9.304 3.598 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -0.225 10.124 2.376 1.00 1.00 H new ATOM 229 N HIS A 15 0.829 9.298 7.436 1.00 1.00 N ATOM 230 CA HIS A 15 1.467 9.254 8.741 1.00 1.00 C ATOM 231 C HIS A 15 1.198 7.899 9.398 1.00 1.00 C ATOM 232 O HIS A 15 0.424 7.096 8.880 1.00 1.00 O ATOM 233 CB HIS A 15 1.016 10.432 9.606 1.00 1.00 C ATOM 234 CG HIS A 15 -0.417 10.850 9.376 1.00 1.00 C ATOM 235 ND1 HIS A 15 -1.476 10.324 10.095 1.00 1.00 N ATOM 236 CD2 HIS A 15 -0.953 11.749 8.501 1.00 1.00 C ATOM 237 CE1 HIS A 15 -2.595 10.887 9.663 1.00 1.00 C ATOM 238 NE2 HIS A 15 -2.269 11.769 8.675 1.00 1.00 N ATOM 0 H HIS A 15 -0.166 9.522 7.455 1.00 1.00 H new ATOM 0 HA HIS A 15 2.546 9.355 8.626 1.00 1.00 H new ATOM 0 HB2 HIS A 15 1.143 10.168 10.656 1.00 1.00 H new ATOM 0 HB3 HIS A 15 1.668 11.283 9.411 1.00 1.00 H new ATOM 0 HD1 HIS A 15 -1.407 9.622 10.832 1.00 1.00 H new ATOM 0 HD2 HIS A 15 -0.401 12.343 7.788 1.00 1.00 H new ATOM 0 HE1 HIS A 15 -3.590 10.683 10.029 1.00 1.00 H new ATOM 246 N ALA A 16 1.852 7.686 10.531 1.00 1.00 N ATOM 247 CA ALA A 16 1.693 6.442 11.265 1.00 1.00 C ATOM 248 C ALA A 16 0.223 6.020 11.233 1.00 1.00 C ATOM 249 O ALA A 16 -0.085 4.829 11.221 1.00 1.00 O ATOM 250 CB ALA A 16 2.218 6.620 12.691 1.00 1.00 C ATOM 0 H ALA A 16 2.493 8.354 10.958 1.00 1.00 H new ATOM 0 HA ALA A 16 2.274 5.645 10.801 1.00 1.00 H new ATOM 0 HB1 ALA A 16 2.099 5.687 13.242 1.00 1.00 H new ATOM 0 HB2 ALA A 16 3.273 6.890 12.659 1.00 1.00 H new ATOM 0 HB3 ALA A 16 1.656 7.410 13.190 1.00 1.00 H new ATOM 256 N ARG A 17 -0.646 7.020 11.219 1.00 1.00 N ATOM 257 CA ARG A 17 -2.077 6.768 11.188 1.00 1.00 C ATOM 258 C ARG A 17 -2.464 6.064 9.886 1.00 1.00 C ATOM 259 O ARG A 17 -2.714 4.860 9.877 1.00 1.00 O ATOM 260 CB ARG A 17 -2.869 8.071 11.311 1.00 1.00 C ATOM 261 CG ARG A 17 -3.282 8.327 12.762 1.00 1.00 C ATOM 262 CD ARG A 17 -2.055 8.478 13.663 1.00 1.00 C ATOM 263 NE ARG A 17 -1.775 9.912 13.899 1.00 1.00 N ATOM 264 CZ ARG A 17 -1.105 10.382 14.960 1.00 1.00 C ATOM 265 NH1 ARG A 17 -0.642 9.534 15.889 1.00 1.00 N ATOM 266 NH2 ARG A 17 -0.897 11.699 15.092 1.00 1.00 N ATOM 0 H ARG A 17 -0.387 8.006 11.229 1.00 1.00 H new ATOM 0 HA ARG A 17 -2.319 6.128 12.037 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -2.265 8.903 10.949 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -3.756 8.022 10.680 1.00 1.00 H new ATOM 0 HG2 ARG A 17 -3.891 9.229 12.817 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -3.900 7.503 13.119 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -2.226 7.971 14.613 1.00 1.00 H new ATOM 0 HD3 ARG A 17 -1.191 8.002 13.199 1.00 1.00 H new ATOM 0 HE ARG A 17 -2.113 10.585 13.211 1.00 1.00 H new ATOM 0 HH11 ARG A 17 -0.800 8.531 15.788 1.00 1.00 H new ATOM 0 HH12 ARG A 17 -0.132 9.891 16.697 1.00 1.00 H new ATOM 0 HH21 ARG A 17 -1.249 12.344 14.385 1.00 1.00 H new ATOM 0 HH22 ARG A 17 -0.387 12.056 15.900 1.00 1.00 H new ATOM 280 N PRO A 18 -2.502 6.867 8.789 1.00 1.00 N ATOM 281 CA PRO A 18 -2.855 6.334 7.484 1.00 1.00 C ATOM 282 C PRO A 18 -1.700 5.523 6.892 1.00 1.00 C ATOM 283 O PRO A 18 -1.920 4.618 6.089 1.00 1.00 O ATOM 284 CB PRO A 18 -3.216 7.550 6.647 1.00 1.00 C ATOM 285 CG PRO A 18 -2.609 8.745 7.364 1.00 1.00 C ATOM 286 CD PRO A 18 -2.212 8.297 8.761 1.00 1.00 C ATOM 0 HA PRO A 18 -3.690 5.634 7.527 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -2.820 7.459 5.635 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -4.297 7.656 6.558 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -1.740 9.115 6.820 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -3.326 9.564 7.415 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -1.157 8.491 8.954 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -2.779 8.831 9.524 1.00 1.00 H new ATOM 294 N ALA A 19 -0.495 5.876 7.314 1.00 1.00 N ATOM 295 CA ALA A 19 0.695 5.192 6.836 1.00 1.00 C ATOM 296 C ALA A 19 0.620 3.714 7.227 1.00 1.00 C ATOM 297 O ALA A 19 0.827 2.836 6.390 1.00 1.00 O ATOM 298 CB ALA A 19 1.940 5.880 7.398 1.00 1.00 C ATOM 0 H ALA A 19 -0.317 6.626 7.981 1.00 1.00 H new ATOM 0 HA ALA A 19 0.756 5.244 5.749 1.00 1.00 H new ATOM 0 HB1 ALA A 19 2.832 5.367 7.039 1.00 1.00 H new ATOM 0 HB2 ALA A 19 1.962 6.919 7.069 1.00 1.00 H new ATOM 0 HB3 ALA A 19 1.915 5.845 8.487 1.00 1.00 H new ATOM 304 N THR A 20 0.323 3.485 8.497 1.00 1.00 N ATOM 305 CA THR A 20 0.218 2.129 9.009 1.00 1.00 C ATOM 306 C THR A 20 -1.068 1.469 8.508 1.00 1.00 C ATOM 307 O THR A 20 -1.064 0.296 8.135 1.00 1.00 O ATOM 308 CB THR A 20 0.315 2.190 10.534 1.00 1.00 C ATOM 309 OG1 THR A 20 1.072 3.371 10.787 1.00 1.00 O ATOM 310 CG2 THR A 20 1.176 1.065 11.112 1.00 1.00 C ATOM 0 H THR A 20 0.152 4.216 9.188 1.00 1.00 H new ATOM 0 HA THR A 20 1.032 1.504 8.642 1.00 1.00 H new ATOM 0 HB THR A 20 -0.686 2.138 10.963 1.00 1.00 H new ATOM 0 HG1 THR A 20 0.496 4.046 11.203 1.00 1.00 H new ATOM 0 HG21 THR A 20 1.212 1.155 12.198 1.00 1.00 H new ATOM 0 HG22 THR A 20 0.745 0.101 10.842 1.00 1.00 H new ATOM 0 HG23 THR A 20 2.186 1.136 10.709 1.00 1.00 H new ATOM 318 N LEU A 21 -2.139 2.250 8.516 1.00 1.00 N ATOM 319 CA LEU A 21 -3.429 1.755 8.067 1.00 1.00 C ATOM 320 C LEU A 21 -3.231 0.871 6.835 1.00 1.00 C ATOM 321 O LEU A 21 -3.665 -0.280 6.816 1.00 1.00 O ATOM 322 CB LEU A 21 -4.399 2.917 7.841 1.00 1.00 C ATOM 323 CG LEU A 21 -5.885 2.590 7.997 1.00 1.00 C ATOM 324 CD1 LEU A 21 -6.715 3.866 8.148 1.00 1.00 C ATOM 325 CD2 LEU A 21 -6.379 1.718 6.842 1.00 1.00 C ATOM 0 H LEU A 21 -2.139 3.222 8.826 1.00 1.00 H new ATOM 0 HA LEU A 21 -3.887 1.132 8.836 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -4.148 3.715 8.540 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -4.237 3.309 6.837 1.00 1.00 H new ATOM 0 HG LEU A 21 -6.013 2.013 8.913 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -7.768 3.605 8.257 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -6.384 4.413 9.030 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -6.586 4.491 7.264 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -7.438 1.500 6.978 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -6.235 2.247 5.900 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -5.816 0.785 6.824 1.00 1.00 H new ATOM 337 N LEU A 22 -2.575 1.442 5.835 1.00 1.00 N ATOM 338 CA LEU A 22 -2.314 0.720 4.602 1.00 1.00 C ATOM 339 C LEU A 22 -1.312 -0.403 4.875 1.00 1.00 C ATOM 340 O LEU A 22 -1.650 -1.581 4.771 1.00 1.00 O ATOM 341 CB LEU A 22 -1.872 1.684 3.499 1.00 1.00 C ATOM 342 CG LEU A 22 -0.804 2.707 3.892 1.00 1.00 C ATOM 343 CD1 LEU A 22 0.544 2.366 3.253 1.00 1.00 C ATOM 344 CD2 LEU A 22 -1.255 4.129 3.553 1.00 1.00 C ATOM 0 H LEU A 22 -2.217 2.397 5.854 1.00 1.00 H new ATOM 0 HA LEU A 22 -3.227 0.251 4.236 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -1.495 1.098 2.661 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -2.749 2.223 3.142 1.00 1.00 H new ATOM 0 HG LEU A 22 -0.669 2.661 4.973 1.00 1.00 H new ATOM 0 HD11 LEU A 22 1.285 3.109 3.549 1.00 1.00 H new ATOM 0 HD12 LEU A 22 0.866 1.380 3.587 1.00 1.00 H new ATOM 0 HD13 LEU A 22 0.443 2.366 2.168 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -0.478 4.836 3.843 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -1.436 4.208 2.481 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -2.173 4.358 4.094 1.00 1.00 H new ATOM 356 N VAL A 23 -0.098 0.001 5.220 1.00 1.00 N ATOM 357 CA VAL A 23 0.956 -0.956 5.510 1.00 1.00 C ATOM 358 C VAL A 23 0.412 -2.039 6.443 1.00 1.00 C ATOM 359 O VAL A 23 0.544 -3.230 6.162 1.00 1.00 O ATOM 360 CB VAL A 23 2.178 -0.233 6.080 1.00 1.00 C ATOM 361 CG1 VAL A 23 1.777 0.704 7.221 1.00 1.00 C ATOM 362 CG2 VAL A 23 3.241 -1.232 6.539 1.00 1.00 C ATOM 0 H VAL A 23 0.179 0.979 5.305 1.00 1.00 H new ATOM 0 HA VAL A 23 1.286 -1.450 4.596 1.00 1.00 H new ATOM 0 HB VAL A 23 2.610 0.374 5.284 1.00 1.00 H new ATOM 0 HG11 VAL A 23 2.664 1.206 7.609 1.00 1.00 H new ATOM 0 HG12 VAL A 23 1.072 1.448 6.850 1.00 1.00 H new ATOM 0 HG13 VAL A 23 1.309 0.127 8.018 1.00 1.00 H new ATOM 0 HG21 VAL A 23 4.099 -0.692 6.940 1.00 1.00 H new ATOM 0 HG22 VAL A 23 2.824 -1.877 7.313 1.00 1.00 H new ATOM 0 HG23 VAL A 23 3.559 -1.840 5.692 1.00 1.00 H new ATOM 372 N GLN A 24 -0.187 -1.588 7.535 1.00 1.00 N ATOM 373 CA GLN A 24 -0.751 -2.504 8.512 1.00 1.00 C ATOM 374 C GLN A 24 -1.670 -3.515 7.823 1.00 1.00 C ATOM 375 O GLN A 24 -1.698 -4.688 8.195 1.00 1.00 O ATOM 376 CB GLN A 24 -1.498 -1.744 9.610 1.00 1.00 C ATOM 377 CG GLN A 24 -2.851 -1.240 9.104 1.00 1.00 C ATOM 378 CD GLN A 24 -3.908 -1.307 10.208 1.00 1.00 C ATOM 379 OE1 GLN A 24 -3.607 -1.365 11.389 1.00 1.00 O ATOM 380 NE2 GLN A 24 -5.161 -1.295 9.759 1.00 1.00 N ATOM 0 H GLN A 24 -0.294 -0.600 7.765 1.00 1.00 H new ATOM 0 HA GLN A 24 0.067 -3.048 8.985 1.00 1.00 H new ATOM 0 HB2 GLN A 24 -1.647 -2.395 10.471 1.00 1.00 H new ATOM 0 HB3 GLN A 24 -0.895 -0.901 9.949 1.00 1.00 H new ATOM 0 HG2 GLN A 24 -2.752 -0.213 8.752 1.00 1.00 H new ATOM 0 HG3 GLN A 24 -3.171 -1.840 8.252 1.00 1.00 H new ATOM 0 HE21 GLN A 24 -5.343 -1.245 8.757 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -5.939 -1.336 10.417 1.00 1.00 H new ATOM 389 N THR A 25 -2.399 -3.024 6.832 1.00 1.00 N ATOM 390 CA THR A 25 -3.316 -3.871 6.087 1.00 1.00 C ATOM 391 C THR A 25 -2.586 -4.569 4.939 1.00 1.00 C ATOM 392 O THR A 25 -2.898 -5.709 4.602 1.00 1.00 O ATOM 393 CB THR A 25 -4.489 -3.003 5.624 1.00 1.00 C ATOM 394 OG1 THR A 25 -5.601 -3.498 6.366 1.00 1.00 O ATOM 395 CG2 THR A 25 -4.869 -3.264 4.165 1.00 1.00 C ATOM 0 H THR A 25 -2.374 -2.051 6.527 1.00 1.00 H new ATOM 0 HA THR A 25 -3.711 -4.672 6.712 1.00 1.00 H new ATOM 0 HB THR A 25 -4.235 -1.951 5.751 1.00 1.00 H new ATOM 0 HG1 THR A 25 -6.405 -2.990 6.129 1.00 1.00 H new ATOM 0 HG21 THR A 25 -5.706 -2.623 3.887 1.00 1.00 H new ATOM 0 HG22 THR A 25 -4.016 -3.046 3.522 1.00 1.00 H new ATOM 0 HG23 THR A 25 -5.156 -4.309 4.045 1.00 1.00 H new ATOM 403 N ALA A 26 -1.626 -3.854 4.369 1.00 1.00 N ATOM 404 CA ALA A 26 -0.849 -4.390 3.265 1.00 1.00 C ATOM 405 C ALA A 26 0.225 -5.332 3.814 1.00 1.00 C ATOM 406 O ALA A 26 0.629 -6.279 3.140 1.00 1.00 O ATOM 407 CB ALA A 26 -0.254 -3.239 2.452 1.00 1.00 C ATOM 0 H ALA A 26 -1.369 -2.908 4.652 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.484 -4.968 2.594 1.00 1.00 H new ATOM 0 HB1 ALA A 26 0.329 -3.642 1.624 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -1.058 -2.616 2.061 1.00 1.00 H new ATOM 0 HB3 ALA A 26 0.392 -2.638 3.092 1.00 1.00 H new ATOM 413 N SER A 27 0.657 -5.040 5.032 1.00 1.00 N ATOM 414 CA SER A 27 1.676 -5.849 5.679 1.00 1.00 C ATOM 415 C SER A 27 1.020 -6.860 6.622 1.00 1.00 C ATOM 416 O SER A 27 1.446 -7.012 7.766 1.00 1.00 O ATOM 417 CB SER A 27 2.669 -4.974 6.445 1.00 1.00 C ATOM 418 OG SER A 27 3.969 -5.557 6.492 1.00 1.00 O ATOM 0 H SER A 27 0.320 -4.254 5.588 1.00 1.00 H new ATOM 0 HA SER A 27 2.228 -6.387 4.908 1.00 1.00 H new ATOM 0 HB2 SER A 27 2.728 -3.994 5.972 1.00 1.00 H new ATOM 0 HB3 SER A 27 2.305 -4.817 7.460 1.00 1.00 H new ATOM 0 HG SER A 27 3.925 -6.418 6.957 1.00 1.00 H new ATOM 424 N LYS A 28 -0.004 -7.524 6.107 1.00 1.00 N ATOM 425 CA LYS A 28 -0.722 -8.516 6.890 1.00 1.00 C ATOM 426 C LYS A 28 -1.373 -9.529 5.946 1.00 1.00 C ATOM 427 O LYS A 28 -2.356 -10.176 6.307 1.00 1.00 O ATOM 428 CB LYS A 28 -1.710 -7.837 7.839 1.00 1.00 C ATOM 429 CG LYS A 28 -2.594 -6.838 7.089 1.00 1.00 C ATOM 430 CD LYS A 28 -3.675 -7.561 6.284 1.00 1.00 C ATOM 431 CE LYS A 28 -4.706 -8.211 7.209 1.00 1.00 C ATOM 432 NZ LYS A 28 -4.645 -9.686 7.097 1.00 1.00 N ATOM 0 H LYS A 28 -0.354 -7.395 5.158 1.00 1.00 H new ATOM 0 HA LYS A 28 -0.033 -9.070 7.528 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.334 -8.590 8.320 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -1.165 -7.323 8.630 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.060 -6.155 7.799 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -1.980 -6.234 6.421 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -4.172 -6.854 5.619 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -3.216 -8.322 5.654 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -4.519 -7.911 8.240 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -5.706 -7.862 6.951 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -5.019 -10.116 7.967 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -5.216 -9.996 6.285 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -3.658 -9.983 6.960 1.00 1.00 H new ATOM 446 N PHE A 29 -0.800 -9.636 4.756 1.00 1.00 N ATOM 447 CA PHE A 29 -1.313 -10.559 3.759 1.00 1.00 C ATOM 448 C PHE A 29 -0.250 -11.586 3.364 1.00 1.00 C ATOM 449 O PHE A 29 0.906 -11.232 3.136 1.00 1.00 O ATOM 450 CB PHE A 29 -1.684 -9.728 2.529 1.00 1.00 C ATOM 451 CG PHE A 29 -2.741 -8.656 2.799 1.00 1.00 C ATOM 452 CD1 PHE A 29 -3.799 -8.932 3.608 1.00 1.00 C ATOM 453 CD2 PHE A 29 -2.623 -7.426 2.230 1.00 1.00 C ATOM 454 CE1 PHE A 29 -4.780 -7.936 3.859 1.00 1.00 C ATOM 455 CE2 PHE A 29 -3.604 -6.431 2.480 1.00 1.00 C ATOM 456 CZ PHE A 29 -4.662 -6.707 3.289 1.00 1.00 C ATOM 0 H PHE A 29 0.015 -9.098 4.460 1.00 1.00 H new ATOM 0 HA PHE A 29 -2.171 -11.099 4.159 1.00 1.00 H new ATOM 0 HB2 PHE A 29 -0.785 -9.248 2.143 1.00 1.00 H new ATOM 0 HB3 PHE A 29 -2.049 -10.396 1.749 1.00 1.00 H new ATOM 0 HD1 PHE A 29 -3.893 -9.909 4.060 1.00 1.00 H new ATOM 0 HD2 PHE A 29 -1.783 -7.207 1.588 1.00 1.00 H new ATOM 0 HE1 PHE A 29 -5.619 -8.155 4.502 1.00 1.00 H new ATOM 0 HE2 PHE A 29 -3.510 -5.455 2.028 1.00 1.00 H new ATOM 0 HZ PHE A 29 -5.409 -5.950 3.479 1.00 1.00 H new ATOM 466 N ASN A 30 -0.678 -12.838 3.294 1.00 1.00 N ATOM 467 CA ASN A 30 0.223 -13.918 2.931 1.00 1.00 C ATOM 468 C ASN A 30 0.672 -13.736 1.480 1.00 1.00 C ATOM 469 O ASN A 30 1.516 -14.483 0.988 1.00 1.00 O ATOM 470 CB ASN A 30 -0.472 -15.276 3.043 1.00 1.00 C ATOM 471 CG ASN A 30 -0.496 -15.762 4.494 1.00 1.00 C ATOM 472 OD1 ASN A 30 0.447 -15.591 5.249 1.00 1.00 O ATOM 473 ND2 ASN A 30 -1.624 -16.375 4.841 1.00 1.00 N ATOM 0 H ASN A 30 -1.637 -13.128 3.483 1.00 1.00 H new ATOM 0 HA ASN A 30 1.074 -13.890 3.612 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -1.491 -15.199 2.665 1.00 1.00 H new ATOM 0 HB3 ASN A 30 0.045 -16.006 2.420 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -1.738 -16.735 5.788 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -2.375 -16.485 4.160 1.00 1.00 H new ATOM 480 N SER A 31 0.087 -12.737 0.834 1.00 1.00 N ATOM 481 CA SER A 31 0.416 -12.447 -0.551 1.00 1.00 C ATOM 482 C SER A 31 1.494 -11.363 -0.617 1.00 1.00 C ATOM 483 O SER A 31 1.928 -10.851 0.414 1.00 1.00 O ATOM 484 CB SER A 31 -0.825 -12.009 -1.332 1.00 1.00 C ATOM 485 OG SER A 31 -1.306 -13.039 -2.191 1.00 1.00 O ATOM 0 H SER A 31 -0.613 -12.119 1.245 1.00 1.00 H new ATOM 0 HA SER A 31 0.798 -13.359 -1.010 1.00 1.00 H new ATOM 0 HB2 SER A 31 -1.611 -11.723 -0.633 1.00 1.00 H new ATOM 0 HB3 SER A 31 -0.588 -11.125 -1.924 1.00 1.00 H new ATOM 0 HG SER A 31 -1.458 -12.673 -3.087 1.00 1.00 H new ATOM 491 N ASP A 32 1.896 -11.047 -1.839 1.00 1.00 N ATOM 492 CA ASP A 32 2.915 -10.033 -2.053 1.00 1.00 C ATOM 493 C ASP A 32 2.241 -8.696 -2.364 1.00 1.00 C ATOM 494 O ASP A 32 2.014 -8.367 -3.528 1.00 1.00 O ATOM 495 CB ASP A 32 3.814 -10.397 -3.236 1.00 1.00 C ATOM 496 CG ASP A 32 4.952 -11.366 -2.910 1.00 1.00 C ATOM 497 OD1 ASP A 32 5.232 -11.527 -1.702 1.00 1.00 O ATOM 498 OD2 ASP A 32 5.517 -11.924 -3.875 1.00 1.00 O ATOM 0 H ASP A 32 1.535 -11.475 -2.691 1.00 1.00 H new ATOM 0 HA ASP A 32 3.519 -9.966 -1.148 1.00 1.00 H new ATOM 0 HB2 ASP A 32 3.197 -10.836 -4.020 1.00 1.00 H new ATOM 0 HB3 ASP A 32 4.242 -9.481 -3.643 1.00 1.00 H new ATOM 503 N ILE A 33 1.940 -7.960 -1.304 1.00 1.00 N ATOM 504 CA ILE A 33 1.296 -6.666 -1.450 1.00 1.00 C ATOM 505 C ILE A 33 2.287 -5.563 -1.073 1.00 1.00 C ATOM 506 O ILE A 33 2.875 -5.594 0.007 1.00 1.00 O ATOM 507 CB ILE A 33 -0.007 -6.622 -0.650 1.00 1.00 C ATOM 508 CG1 ILE A 33 -0.877 -5.440 -1.083 1.00 1.00 C ATOM 509 CG2 ILE A 33 0.274 -6.606 0.854 1.00 1.00 C ATOM 510 CD1 ILE A 33 -0.618 -4.216 -0.203 1.00 1.00 C ATOM 0 H ILE A 33 2.130 -8.235 -0.341 1.00 1.00 H new ATOM 0 HA ILE A 33 1.011 -6.498 -2.488 1.00 1.00 H new ATOM 0 HB ILE A 33 -0.570 -7.531 -0.863 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -0.670 -5.194 -2.124 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -1.929 -5.718 -1.025 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -0.669 -6.575 1.400 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.824 -7.505 1.131 1.00 1.00 H new ATOM 0 HG23 ILE A 33 0.867 -5.727 1.104 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -1.249 -3.391 -0.533 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -0.850 -4.458 0.834 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.430 -3.926 -0.283 1.00 1.00 H new ATOM 522 N ASN A 34 2.442 -4.614 -1.984 1.00 1.00 N ATOM 523 CA ASN A 34 3.352 -3.503 -1.760 1.00 1.00 C ATOM 524 C ASN A 34 2.720 -2.216 -2.294 1.00 1.00 C ATOM 525 O ASN A 34 1.635 -2.247 -2.874 1.00 1.00 O ATOM 526 CB ASN A 34 4.676 -3.719 -2.496 1.00 1.00 C ATOM 527 CG ASN A 34 5.291 -5.072 -2.132 1.00 1.00 C ATOM 528 OD1 ASN A 34 4.923 -5.709 -1.159 1.00 1.00 O ATOM 529 ND2 ASN A 34 6.244 -5.475 -2.967 1.00 1.00 N ATOM 0 H ASN A 34 1.953 -4.591 -2.879 1.00 1.00 H new ATOM 0 HA ASN A 34 3.541 -3.433 -0.689 1.00 1.00 H new ATOM 0 HB2 ASN A 34 4.510 -3.668 -3.572 1.00 1.00 H new ATOM 0 HB3 ASN A 34 5.372 -2.919 -2.243 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.715 -6.366 -2.811 1.00 1.00 H new ATOM 0 HD22 ASN A 34 6.504 -4.893 -3.763 1.00 1.00 H new ATOM 536 N LEU A 35 3.424 -1.115 -2.078 1.00 1.00 N ATOM 537 CA LEU A 35 2.945 0.181 -2.530 1.00 1.00 C ATOM 538 C LEU A 35 3.945 0.770 -3.526 1.00 1.00 C ATOM 539 O LEU A 35 5.152 0.575 -3.389 1.00 1.00 O ATOM 540 CB LEU A 35 2.657 1.092 -1.336 1.00 1.00 C ATOM 541 CG LEU A 35 3.663 2.219 -1.094 1.00 1.00 C ATOM 542 CD1 LEU A 35 3.739 3.155 -2.303 1.00 1.00 C ATOM 543 CD2 LEU A 35 3.341 2.975 0.196 1.00 1.00 C ATOM 0 H LEU A 35 4.323 -1.093 -1.596 1.00 1.00 H new ATOM 0 HA LEU A 35 1.996 0.074 -3.056 1.00 1.00 H new ATOM 0 HB2 LEU A 35 1.671 1.535 -1.472 1.00 1.00 H new ATOM 0 HB3 LEU A 35 2.608 0.476 -0.438 1.00 1.00 H new ATOM 0 HG LEU A 35 4.650 1.774 -0.968 1.00 1.00 H new ATOM 0 HD11 LEU A 35 4.461 3.947 -2.105 1.00 1.00 H new ATOM 0 HD12 LEU A 35 4.052 2.590 -3.181 1.00 1.00 H new ATOM 0 HD13 LEU A 35 2.758 3.595 -2.485 1.00 1.00 H new ATOM 0 HD21 LEU A 35 4.072 3.770 0.344 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.343 3.408 0.125 1.00 1.00 H new ATOM 0 HD23 LEU A 35 3.379 2.287 1.040 1.00 1.00 H new ATOM 555 N GLU A 36 3.407 1.480 -4.507 1.00 1.00 N ATOM 556 CA GLU A 36 4.237 2.099 -5.526 1.00 1.00 C ATOM 557 C GLU A 36 3.855 3.570 -5.700 1.00 1.00 C ATOM 558 O GLU A 36 2.762 3.880 -6.170 1.00 1.00 O ATOM 559 CB GLU A 36 4.131 1.345 -6.853 1.00 1.00 C ATOM 560 CG GLU A 36 4.882 2.082 -7.964 1.00 1.00 C ATOM 561 CD GLU A 36 3.987 3.131 -8.628 1.00 1.00 C ATOM 562 OE1 GLU A 36 3.242 2.738 -9.551 1.00 1.00 O ATOM 563 OE2 GLU A 36 4.069 4.301 -8.197 1.00 1.00 O ATOM 0 H GLU A 36 2.406 1.640 -4.618 1.00 1.00 H new ATOM 0 HA GLU A 36 5.276 2.049 -5.200 1.00 1.00 H new ATOM 0 HB2 GLU A 36 4.538 0.341 -6.738 1.00 1.00 H new ATOM 0 HB3 GLU A 36 3.083 1.234 -7.130 1.00 1.00 H new ATOM 0 HG2 GLU A 36 5.768 2.564 -7.551 1.00 1.00 H new ATOM 0 HG3 GLU A 36 5.227 1.367 -8.711 1.00 1.00 H new ATOM 570 N TYR A 37 4.778 4.438 -5.311 1.00 1.00 N ATOM 571 CA TYR A 37 4.552 5.869 -5.418 1.00 1.00 C ATOM 572 C TYR A 37 5.501 6.500 -6.439 1.00 1.00 C ATOM 573 O TYR A 37 6.718 6.355 -6.333 1.00 1.00 O ATOM 574 CB TYR A 37 4.853 6.448 -4.034 1.00 1.00 C ATOM 575 CG TYR A 37 4.793 7.976 -3.972 1.00 1.00 C ATOM 576 CD1 TYR A 37 4.199 8.685 -4.996 1.00 1.00 C ATOM 577 CD2 TYR A 37 5.333 8.644 -2.892 1.00 1.00 C ATOM 578 CE1 TYR A 37 4.142 10.123 -4.937 1.00 1.00 C ATOM 579 CE2 TYR A 37 5.276 10.082 -2.834 1.00 1.00 C ATOM 580 CZ TYR A 37 4.684 10.750 -3.859 1.00 1.00 C ATOM 581 OH TYR A 37 4.630 12.108 -3.804 1.00 1.00 O ATOM 0 H TYR A 37 5.684 4.177 -4.921 1.00 1.00 H new ATOM 0 HA TYR A 37 3.532 6.073 -5.744 1.00 1.00 H new ATOM 0 HB2 TYR A 37 4.142 6.037 -3.317 1.00 1.00 H new ATOM 0 HB3 TYR A 37 5.845 6.121 -3.722 1.00 1.00 H new ATOM 0 HD1 TYR A 37 3.777 8.162 -5.841 1.00 1.00 H new ATOM 0 HD2 TYR A 37 5.798 8.089 -2.091 1.00 1.00 H new ATOM 0 HE1 TYR A 37 3.679 10.690 -5.731 1.00 1.00 H new ATOM 0 HE2 TYR A 37 5.694 10.618 -1.995 1.00 1.00 H new ATOM 0 HH TYR A 37 5.055 12.419 -2.977 1.00 1.00 H new ATOM 591 N LYS A 38 4.908 7.186 -7.405 1.00 1.00 N ATOM 592 CA LYS A 38 5.685 7.839 -8.445 1.00 1.00 C ATOM 593 C LYS A 38 6.468 6.784 -9.229 1.00 1.00 C ATOM 594 O LYS A 38 7.412 7.111 -9.946 1.00 1.00 O ATOM 595 CB LYS A 38 6.565 8.938 -7.845 1.00 1.00 C ATOM 596 CG LYS A 38 7.797 8.341 -7.161 1.00 1.00 C ATOM 597 CD LYS A 38 9.024 9.232 -7.368 1.00 1.00 C ATOM 598 CE LYS A 38 9.284 9.470 -8.857 1.00 1.00 C ATOM 599 NZ LYS A 38 10.686 9.142 -9.197 1.00 1.00 N ATOM 0 H LYS A 38 3.898 7.304 -7.489 1.00 1.00 H new ATOM 0 HA LYS A 38 5.027 8.341 -9.155 1.00 1.00 H new ATOM 0 HB2 LYS A 38 6.878 9.627 -8.629 1.00 1.00 H new ATOM 0 HB3 LYS A 38 5.989 9.517 -7.123 1.00 1.00 H new ATOM 0 HG2 LYS A 38 7.604 8.223 -6.095 1.00 1.00 H new ATOM 0 HG3 LYS A 38 7.994 7.346 -7.561 1.00 1.00 H new ATOM 0 HD2 LYS A 38 8.874 10.187 -6.864 1.00 1.00 H new ATOM 0 HD3 LYS A 38 9.898 8.766 -6.913 1.00 1.00 H new ATOM 0 HE2 LYS A 38 8.606 8.858 -9.453 1.00 1.00 H new ATOM 0 HE3 LYS A 38 9.077 10.511 -9.107 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 10.846 9.309 -10.211 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 11.328 9.743 -8.642 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 10.872 8.143 -8.977 1.00 1.00 H new ATOM 613 N GLY A 39 6.046 5.538 -9.067 1.00 1.00 N ATOM 614 CA GLY A 39 6.695 4.433 -9.751 1.00 1.00 C ATOM 615 C GLY A 39 7.596 3.649 -8.795 1.00 1.00 C ATOM 616 O GLY A 39 8.388 2.813 -9.227 1.00 1.00 O ATOM 0 H GLY A 39 5.262 5.270 -8.472 1.00 1.00 H new ATOM 0 HA2 GLY A 39 5.941 3.768 -10.173 1.00 1.00 H new ATOM 0 HA3 GLY A 39 7.286 4.813 -10.584 1.00 1.00 H new ATOM 620 N LYS A 40 7.445 3.947 -7.512 1.00 1.00 N ATOM 621 CA LYS A 40 8.235 3.281 -6.491 1.00 1.00 C ATOM 622 C LYS A 40 7.389 2.193 -5.827 1.00 1.00 C ATOM 623 O LYS A 40 6.622 2.473 -4.908 1.00 1.00 O ATOM 624 CB LYS A 40 8.807 4.302 -5.505 1.00 1.00 C ATOM 625 CG LYS A 40 10.310 4.094 -5.311 1.00 1.00 C ATOM 626 CD LYS A 40 10.591 3.264 -4.056 1.00 1.00 C ATOM 627 CE LYS A 40 10.044 3.957 -2.807 1.00 1.00 C ATOM 628 NZ LYS A 40 10.823 5.180 -2.509 1.00 1.00 N ATOM 0 H LYS A 40 6.787 4.641 -7.157 1.00 1.00 H new ATOM 0 HA LYS A 40 9.097 2.787 -6.939 1.00 1.00 H new ATOM 0 HB2 LYS A 40 8.620 5.311 -5.872 1.00 1.00 H new ATOM 0 HB3 LYS A 40 8.297 4.212 -4.546 1.00 1.00 H new ATOM 0 HG2 LYS A 40 10.727 3.592 -6.184 1.00 1.00 H new ATOM 0 HG3 LYS A 40 10.807 5.061 -5.231 1.00 1.00 H new ATOM 0 HD2 LYS A 40 10.136 2.279 -4.158 1.00 1.00 H new ATOM 0 HD3 LYS A 40 11.665 3.110 -3.950 1.00 1.00 H new ATOM 0 HE2 LYS A 40 8.995 4.214 -2.957 1.00 1.00 H new ATOM 0 HE3 LYS A 40 10.087 3.275 -1.958 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 10.668 5.458 -1.519 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 11.835 4.993 -2.662 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 10.514 5.950 -3.137 1.00 1.00 H new ATOM 642 N SER A 41 7.558 0.974 -6.319 1.00 1.00 N ATOM 643 CA SER A 41 6.819 -0.157 -5.786 1.00 1.00 C ATOM 644 C SER A 41 7.686 -0.921 -4.782 1.00 1.00 C ATOM 645 O SER A 41 8.627 -1.612 -5.170 1.00 1.00 O ATOM 646 CB SER A 41 6.356 -1.091 -6.906 1.00 1.00 C ATOM 647 OG SER A 41 7.321 -2.099 -7.194 1.00 1.00 O ATOM 0 H SER A 41 8.196 0.745 -7.081 1.00 1.00 H new ATOM 0 HA SER A 41 5.933 0.222 -5.278 1.00 1.00 H new ATOM 0 HB2 SER A 41 5.415 -1.561 -6.620 1.00 1.00 H new ATOM 0 HB3 SER A 41 6.161 -0.508 -7.806 1.00 1.00 H new ATOM 0 HG SER A 41 8.209 -1.792 -6.914 1.00 1.00 H new ATOM 653 N VAL A 42 7.337 -0.772 -3.513 1.00 1.00 N ATOM 654 CA VAL A 42 8.071 -1.439 -2.452 1.00 1.00 C ATOM 655 C VAL A 42 7.103 -1.822 -1.331 1.00 1.00 C ATOM 656 O VAL A 42 6.168 -1.080 -1.032 1.00 1.00 O ATOM 657 CB VAL A 42 9.220 -0.550 -1.971 1.00 1.00 C ATOM 658 CG1 VAL A 42 9.789 0.280 -3.123 1.00 1.00 C ATOM 659 CG2 VAL A 42 8.773 0.348 -0.816 1.00 1.00 C ATOM 0 H VAL A 42 6.555 -0.199 -3.196 1.00 1.00 H new ATOM 0 HA VAL A 42 8.523 -2.360 -2.821 1.00 1.00 H new ATOM 0 HB VAL A 42 10.014 -1.199 -1.601 1.00 1.00 H new ATOM 0 HG11 VAL A 42 10.604 0.903 -2.755 1.00 1.00 H new ATOM 0 HG12 VAL A 42 10.164 -0.386 -3.901 1.00 1.00 H new ATOM 0 HG13 VAL A 42 9.005 0.915 -3.536 1.00 1.00 H new ATOM 0 HG21 VAL A 42 9.609 0.969 -0.494 1.00 1.00 H new ATOM 0 HG22 VAL A 42 7.953 0.986 -1.147 1.00 1.00 H new ATOM 0 HG23 VAL A 42 8.438 -0.270 0.017 1.00 1.00 H new ATOM 669 N ASN A 43 7.360 -2.980 -0.740 1.00 1.00 N ATOM 670 CA ASN A 43 6.523 -3.471 0.341 1.00 1.00 C ATOM 671 C ASN A 43 6.167 -2.310 1.272 1.00 1.00 C ATOM 672 O ASN A 43 6.867 -2.057 2.251 1.00 1.00 O ATOM 673 CB ASN A 43 7.255 -4.531 1.167 1.00 1.00 C ATOM 674 CG ASN A 43 8.146 -5.400 0.278 1.00 1.00 C ATOM 675 OD1 ASN A 43 9.255 -5.036 -0.079 1.00 1.00 O ATOM 676 ND2 ASN A 43 7.602 -6.565 -0.060 1.00 1.00 N ATOM 0 H ASN A 43 8.137 -3.592 -0.990 1.00 1.00 H new ATOM 0 HA ASN A 43 5.628 -3.911 -0.099 1.00 1.00 H new ATOM 0 HB2 ASN A 43 7.861 -4.046 1.932 1.00 1.00 H new ATOM 0 HB3 ASN A 43 6.530 -5.158 1.685 1.00 1.00 H new ATOM 0 HD21 ASN A 43 8.118 -7.216 -0.652 1.00 1.00 H new ATOM 0 HD22 ASN A 43 6.669 -6.808 0.273 1.00 1.00 H new ATOM 683 N LEU A 44 5.078 -1.634 0.933 1.00 1.00 N ATOM 684 CA LEU A 44 4.621 -0.506 1.726 1.00 1.00 C ATOM 685 C LEU A 44 5.262 -0.570 3.113 1.00 1.00 C ATOM 686 O LEU A 44 5.655 0.456 3.667 1.00 1.00 O ATOM 687 CB LEU A 44 3.092 -0.458 1.757 1.00 1.00 C ATOM 688 CG LEU A 44 2.370 -1.513 0.916 1.00 1.00 C ATOM 689 CD1 LEU A 44 2.648 -2.921 1.447 1.00 1.00 C ATOM 690 CD2 LEU A 44 0.872 -1.217 0.833 1.00 1.00 C ATOM 0 H LEU A 44 4.500 -1.846 0.120 1.00 1.00 H new ATOM 0 HA LEU A 44 4.938 0.433 1.271 1.00 1.00 H new ATOM 0 HB2 LEU A 44 2.766 -0.562 2.792 1.00 1.00 H new ATOM 0 HB3 LEU A 44 2.772 0.528 1.420 1.00 1.00 H new ATOM 0 HG LEU A 44 2.763 -1.468 -0.100 1.00 1.00 H new ATOM 0 HD11 LEU A 44 2.123 -3.652 0.832 1.00 1.00 H new ATOM 0 HD12 LEU A 44 3.719 -3.119 1.411 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.300 -2.997 2.477 1.00 1.00 H new ATOM 0 HD21 LEU A 44 0.383 -1.982 0.230 1.00 1.00 H new ATOM 0 HD22 LEU A 44 0.445 -1.218 1.836 1.00 1.00 H new ATOM 0 HD23 LEU A 44 0.719 -0.240 0.374 1.00 1.00 H new ATOM 702 N LYS A 45 5.347 -1.784 3.635 1.00 1.00 N ATOM 703 CA LYS A 45 5.934 -1.995 4.948 1.00 1.00 C ATOM 704 C LYS A 45 7.424 -1.651 4.897 1.00 1.00 C ATOM 705 O LYS A 45 8.128 -1.774 5.898 1.00 1.00 O ATOM 706 CB LYS A 45 5.648 -3.415 5.441 1.00 1.00 C ATOM 707 CG LYS A 45 6.100 -4.454 4.413 1.00 1.00 C ATOM 708 CD LYS A 45 4.898 -5.153 3.775 1.00 1.00 C ATOM 709 CE LYS A 45 5.078 -6.673 3.786 1.00 1.00 C ATOM 710 NZ LYS A 45 4.832 -7.234 2.438 1.00 1.00 N ATOM 0 H LYS A 45 5.019 -2.632 3.173 1.00 1.00 H new ATOM 0 HA LYS A 45 5.477 -1.330 5.681 1.00 1.00 H new ATOM 0 HB2 LYS A 45 6.163 -3.586 6.387 1.00 1.00 H new ATOM 0 HB3 LYS A 45 4.581 -3.529 5.634 1.00 1.00 H new ATOM 0 HG2 LYS A 45 6.696 -3.970 3.640 1.00 1.00 H new ATOM 0 HG3 LYS A 45 6.741 -5.192 4.895 1.00 1.00 H new ATOM 0 HD2 LYS A 45 3.989 -4.887 4.315 1.00 1.00 H new ATOM 0 HD3 LYS A 45 4.773 -4.805 2.750 1.00 1.00 H new ATOM 0 HE2 LYS A 45 6.088 -6.923 4.112 1.00 1.00 H new ATOM 0 HE3 LYS A 45 4.391 -7.121 4.504 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 4.412 -8.181 2.528 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 4.180 -6.613 1.917 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 5.732 -7.302 1.921 1.00 1.00 H new ATOM 724 N SER A 46 7.861 -1.227 3.720 1.00 1.00 N ATOM 725 CA SER A 46 9.254 -0.864 3.526 1.00 1.00 C ATOM 726 C SER A 46 9.471 0.603 3.905 1.00 1.00 C ATOM 727 O SER A 46 9.756 1.434 3.044 1.00 1.00 O ATOM 728 CB SER A 46 9.691 -1.109 2.080 1.00 1.00 C ATOM 729 OG SER A 46 11.108 -1.084 1.939 1.00 1.00 O ATOM 0 H SER A 46 7.275 -1.127 2.891 1.00 1.00 H new ATOM 0 HA SER A 46 9.864 -1.494 4.173 1.00 1.00 H new ATOM 0 HB2 SER A 46 9.310 -2.074 1.745 1.00 1.00 H new ATOM 0 HB3 SER A 46 9.249 -0.350 1.434 1.00 1.00 H new ATOM 0 HG SER A 46 11.346 -1.246 1.002 1.00 1.00 H new ATOM 735 N ILE A 47 9.328 0.875 5.193 1.00 1.00 N ATOM 736 CA ILE A 47 9.504 2.227 5.696 1.00 1.00 C ATOM 737 C ILE A 47 10.685 2.884 4.978 1.00 1.00 C ATOM 738 O ILE A 47 10.599 4.038 4.563 1.00 1.00 O ATOM 739 CB ILE A 47 9.639 2.217 7.220 1.00 1.00 C ATOM 740 CG1 ILE A 47 8.795 3.326 7.852 1.00 1.00 C ATOM 741 CG2 ILE A 47 11.108 2.306 7.641 1.00 1.00 C ATOM 742 CD1 ILE A 47 7.342 3.246 7.378 1.00 1.00 C ATOM 0 H ILE A 47 9.092 0.183 5.904 1.00 1.00 H new ATOM 0 HA ILE A 47 8.623 2.832 5.481 1.00 1.00 H new ATOM 0 HB ILE A 47 9.254 1.267 7.591 1.00 1.00 H new ATOM 0 HG12 ILE A 47 8.832 3.242 8.938 1.00 1.00 H new ATOM 0 HG13 ILE A 47 9.213 4.299 7.593 1.00 1.00 H new ATOM 0 HG21 ILE A 47 11.176 2.297 8.729 1.00 1.00 H new ATOM 0 HG22 ILE A 47 11.655 1.454 7.236 1.00 1.00 H new ATOM 0 HG23 ILE A 47 11.541 3.230 7.258 1.00 1.00 H new ATOM 0 HD11 ILE A 47 6.763 4.045 7.842 1.00 1.00 H new ATOM 0 HD12 ILE A 47 7.306 3.354 6.294 1.00 1.00 H new ATOM 0 HD13 ILE A 47 6.920 2.282 7.660 1.00 1.00 H new ATOM 754 N MET A 48 11.760 2.119 4.854 1.00 1.00 N ATOM 755 CA MET A 48 12.956 2.613 4.193 1.00 1.00 C ATOM 756 C MET A 48 12.609 3.295 2.869 1.00 1.00 C ATOM 757 O MET A 48 12.572 4.522 2.789 1.00 1.00 O ATOM 758 CB MET A 48 13.913 1.447 3.933 1.00 1.00 C ATOM 759 CG MET A 48 15.117 1.901 3.105 1.00 1.00 C ATOM 760 SD MET A 48 15.714 0.550 2.103 1.00 1.00 S ATOM 761 CE MET A 48 14.304 0.311 1.034 1.00 1.00 C ATOM 0 H MET A 48 11.828 1.162 5.200 1.00 1.00 H new ATOM 0 HA MET A 48 13.432 3.347 4.843 1.00 1.00 H new ATOM 0 HB2 MET A 48 14.255 1.034 4.882 1.00 1.00 H new ATOM 0 HB3 MET A 48 13.386 0.649 3.409 1.00 1.00 H new ATOM 0 HG2 MET A 48 14.835 2.740 2.468 1.00 1.00 H new ATOM 0 HG3 MET A 48 15.910 2.254 3.764 1.00 1.00 H new ATOM 0 HE1 MET A 48 14.547 -0.429 0.271 1.00 1.00 H new ATOM 0 HE2 MET A 48 13.456 -0.040 1.623 1.00 1.00 H new ATOM 0 HE3 MET A 48 14.047 1.255 0.554 1.00 1.00 H new ATOM 771 N GLY A 49 12.365 2.470 1.861 1.00 1.00 N ATOM 772 CA GLY A 49 12.022 2.978 0.544 1.00 1.00 C ATOM 773 C GLY A 49 10.849 3.957 0.622 1.00 1.00 C ATOM 774 O GLY A 49 10.863 5.002 -0.027 1.00 1.00 O ATOM 0 H GLY A 49 12.398 1.453 1.930 1.00 1.00 H new ATOM 0 HA2 GLY A 49 12.887 3.476 0.106 1.00 1.00 H new ATOM 0 HA3 GLY A 49 11.764 2.148 -0.114 1.00 1.00 H new ATOM 778 N VAL A 50 9.861 3.585 1.423 1.00 1.00 N ATOM 779 CA VAL A 50 8.682 4.417 1.594 1.00 1.00 C ATOM 780 C VAL A 50 9.092 5.751 2.222 1.00 1.00 C ATOM 781 O VAL A 50 8.842 6.812 1.652 1.00 1.00 O ATOM 782 CB VAL A 50 7.628 3.670 2.414 1.00 1.00 C ATOM 783 CG1 VAL A 50 7.091 4.547 3.546 1.00 1.00 C ATOM 784 CG2 VAL A 50 6.492 3.171 1.520 1.00 1.00 C ATOM 0 H VAL A 50 9.853 2.718 1.961 1.00 1.00 H new ATOM 0 HA VAL A 50 8.227 4.637 0.628 1.00 1.00 H new ATOM 0 HB VAL A 50 8.107 2.800 2.864 1.00 1.00 H new ATOM 0 HG11 VAL A 50 6.344 3.992 4.113 1.00 1.00 H new ATOM 0 HG12 VAL A 50 7.910 4.831 4.206 1.00 1.00 H new ATOM 0 HG13 VAL A 50 6.636 5.444 3.127 1.00 1.00 H new ATOM 0 HG21 VAL A 50 5.756 2.644 2.127 1.00 1.00 H new ATOM 0 HG22 VAL A 50 6.016 4.020 1.029 1.00 1.00 H new ATOM 0 HG23 VAL A 50 6.893 2.494 0.766 1.00 1.00 H new ATOM 794 N MET A 51 9.716 5.654 3.387 1.00 1.00 N ATOM 795 CA MET A 51 10.163 6.839 4.098 1.00 1.00 C ATOM 796 C MET A 51 10.698 7.893 3.125 1.00 1.00 C ATOM 797 O MET A 51 10.196 9.015 3.082 1.00 1.00 O ATOM 798 CB MET A 51 11.262 6.456 5.090 1.00 1.00 C ATOM 799 CG MET A 51 10.663 5.897 6.383 1.00 1.00 C ATOM 800 SD MET A 51 10.749 7.125 7.676 1.00 1.00 S ATOM 801 CE MET A 51 10.578 8.612 6.703 1.00 1.00 C ATOM 0 H MET A 51 9.922 4.772 3.856 1.00 1.00 H new ATOM 0 HA MET A 51 9.312 7.262 4.631 1.00 1.00 H new ATOM 0 HB2 MET A 51 11.921 5.714 4.640 1.00 1.00 H new ATOM 0 HB3 MET A 51 11.873 7.330 5.316 1.00 1.00 H new ATOM 0 HG2 MET A 51 9.626 5.604 6.216 1.00 1.00 H new ATOM 0 HG3 MET A 51 11.203 5.000 6.686 1.00 1.00 H new ATOM 0 HE1 MET A 51 10.292 9.440 7.351 1.00 1.00 H new ATOM 0 HE2 MET A 51 11.527 8.841 6.219 1.00 1.00 H new ATOM 0 HE3 MET A 51 9.810 8.464 5.944 1.00 1.00 H new ATOM 811 N SER A 52 11.710 7.494 2.369 1.00 1.00 N ATOM 812 CA SER A 52 12.319 8.389 1.400 1.00 1.00 C ATOM 813 C SER A 52 11.253 8.928 0.444 1.00 1.00 C ATOM 814 O SER A 52 11.372 10.044 -0.058 1.00 1.00 O ATOM 815 CB SER A 52 13.427 7.682 0.617 1.00 1.00 C ATOM 816 OG SER A 52 12.943 6.533 -0.073 1.00 1.00 O ATOM 0 H SER A 52 12.124 6.562 2.408 1.00 1.00 H new ATOM 0 HA SER A 52 12.769 9.223 1.939 1.00 1.00 H new ATOM 0 HB2 SER A 52 13.865 8.377 -0.099 1.00 1.00 H new ATOM 0 HB3 SER A 52 14.222 7.386 1.301 1.00 1.00 H new ATOM 0 HG SER A 52 12.042 6.315 0.246 1.00 1.00 H new ATOM 822 N LEU A 53 10.236 8.108 0.220 1.00 1.00 N ATOM 823 CA LEU A 53 9.151 8.489 -0.668 1.00 1.00 C ATOM 824 C LEU A 53 8.011 9.090 0.157 1.00 1.00 C ATOM 825 O LEU A 53 7.957 10.303 0.356 1.00 1.00 O ATOM 826 CB LEU A 53 8.724 7.300 -1.532 1.00 1.00 C ATOM 827 CG LEU A 53 8.724 7.536 -3.043 1.00 1.00 C ATOM 828 CD1 LEU A 53 8.270 6.282 -3.794 1.00 1.00 C ATOM 829 CD2 LEU A 53 7.882 8.759 -3.408 1.00 1.00 C ATOM 0 H LEU A 53 10.141 7.182 0.638 1.00 1.00 H new ATOM 0 HA LEU A 53 9.481 9.259 -1.366 1.00 1.00 H new ATOM 0 HB2 LEU A 53 9.386 6.462 -1.315 1.00 1.00 H new ATOM 0 HB3 LEU A 53 7.720 6.999 -1.231 1.00 1.00 H new ATOM 0 HG LEU A 53 9.747 7.746 -3.355 1.00 1.00 H new ATOM 0 HD11 LEU A 53 8.279 6.477 -4.866 1.00 1.00 H new ATOM 0 HD12 LEU A 53 8.947 5.458 -3.569 1.00 1.00 H new ATOM 0 HD13 LEU A 53 7.260 6.017 -3.482 1.00 1.00 H new ATOM 0 HD21 LEU A 53 7.899 8.904 -4.488 1.00 1.00 H new ATOM 0 HD22 LEU A 53 6.854 8.605 -3.079 1.00 1.00 H new ATOM 0 HD23 LEU A 53 8.291 9.642 -2.917 1.00 1.00 H new ATOM 841 N GLY A 54 7.128 8.215 0.614 1.00 1.00 N ATOM 842 CA GLY A 54 5.992 8.644 1.412 1.00 1.00 C ATOM 843 C GLY A 54 5.110 9.621 0.631 1.00 1.00 C ATOM 844 O GLY A 54 5.613 10.554 0.007 1.00 1.00 O ATOM 0 H GLY A 54 7.176 7.210 0.447 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.404 7.776 1.710 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.345 9.119 2.327 1.00 1.00 H new ATOM 848 N VAL A 55 3.810 9.372 0.690 1.00 1.00 N ATOM 849 CA VAL A 55 2.854 10.217 -0.004 1.00 1.00 C ATOM 850 C VAL A 55 2.031 10.998 1.022 1.00 1.00 C ATOM 851 O VAL A 55 2.289 10.917 2.222 1.00 1.00 O ATOM 852 CB VAL A 55 1.992 9.371 -0.943 1.00 1.00 C ATOM 853 CG1 VAL A 55 2.397 9.587 -2.403 1.00 1.00 C ATOM 854 CG2 VAL A 55 2.065 7.889 -0.568 1.00 1.00 C ATOM 0 H VAL A 55 3.397 8.597 1.208 1.00 1.00 H new ATOM 0 HA VAL A 55 3.371 10.946 -0.628 1.00 1.00 H new ATOM 0 HB VAL A 55 0.957 9.695 -0.831 1.00 1.00 H new ATOM 0 HG11 VAL A 55 1.769 8.974 -3.049 1.00 1.00 H new ATOM 0 HG12 VAL A 55 2.270 10.638 -2.664 1.00 1.00 H new ATOM 0 HG13 VAL A 55 3.441 9.303 -2.537 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.443 7.310 -1.251 1.00 1.00 H new ATOM 0 HG22 VAL A 55 3.097 7.546 -0.638 1.00 1.00 H new ATOM 0 HG23 VAL A 55 1.706 7.754 0.452 1.00 1.00 H new ATOM 864 N GLY A 56 1.056 11.736 0.512 1.00 1.00 N ATOM 865 CA GLY A 56 0.193 12.531 1.370 1.00 1.00 C ATOM 866 C GLY A 56 -0.553 13.596 0.562 1.00 1.00 C ATOM 867 O GLY A 56 -1.656 13.352 0.077 1.00 1.00 O ATOM 0 H GLY A 56 0.844 11.800 -0.484 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -0.524 11.882 1.872 1.00 1.00 H new ATOM 0 HA3 GLY A 56 0.788 13.010 2.147 1.00 1.00 H new ATOM 871 N GLN A 57 0.081 14.753 0.444 1.00 1.00 N ATOM 872 CA GLN A 57 -0.508 15.856 -0.297 1.00 1.00 C ATOM 873 C GLN A 57 -1.128 15.349 -1.601 1.00 1.00 C ATOM 874 O GLN A 57 -0.455 15.289 -2.629 1.00 1.00 O ATOM 875 CB GLN A 57 0.527 16.948 -0.570 1.00 1.00 C ATOM 876 CG GLN A 57 1.396 16.591 -1.778 1.00 1.00 C ATOM 877 CD GLN A 57 2.760 17.279 -1.695 1.00 1.00 C ATOM 878 OE1 GLN A 57 2.915 18.340 -1.112 1.00 1.00 O ATOM 879 NE2 GLN A 57 3.737 16.619 -2.310 1.00 1.00 N ATOM 0 H GLN A 57 0.996 14.951 0.849 1.00 1.00 H new ATOM 0 HA GLN A 57 -1.299 16.295 0.311 1.00 1.00 H new ATOM 0 HB2 GLN A 57 0.021 17.897 -0.749 1.00 1.00 H new ATOM 0 HB3 GLN A 57 1.158 17.084 0.309 1.00 1.00 H new ATOM 0 HG2 GLN A 57 1.532 15.511 -1.826 1.00 1.00 H new ATOM 0 HG3 GLN A 57 0.889 16.890 -2.696 1.00 1.00 H new ATOM 0 HE21 GLN A 57 3.539 15.735 -2.779 1.00 1.00 H new ATOM 0 HE22 GLN A 57 4.685 16.996 -2.312 1.00 1.00 H new ATOM 888 N GLY A 58 -2.402 14.998 -1.516 1.00 1.00 N ATOM 889 CA GLY A 58 -3.120 14.498 -2.676 1.00 1.00 C ATOM 890 C GLY A 58 -2.207 13.645 -3.560 1.00 1.00 C ATOM 891 O GLY A 58 -2.525 13.385 -4.719 1.00 1.00 O ATOM 0 H GLY A 58 -2.956 15.050 -0.661 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -3.975 13.905 -2.351 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -3.513 15.335 -3.253 1.00 1.00 H new ATOM 895 N SER A 59 -1.091 13.232 -2.977 1.00 1.00 N ATOM 896 CA SER A 59 -0.130 12.414 -3.697 1.00 1.00 C ATOM 897 C SER A 59 -0.825 11.182 -4.281 1.00 1.00 C ATOM 898 O SER A 59 -1.991 10.926 -3.988 1.00 1.00 O ATOM 899 CB SER A 59 1.024 11.990 -2.786 1.00 1.00 C ATOM 900 OG SER A 59 1.571 13.093 -2.069 1.00 1.00 O ATOM 0 H SER A 59 -0.831 13.448 -2.015 1.00 1.00 H new ATOM 0 HA SER A 59 0.284 13.009 -4.510 1.00 1.00 H new ATOM 0 HB2 SER A 59 0.671 11.238 -2.080 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.806 11.523 -3.385 1.00 1.00 H new ATOM 0 HG SER A 59 2.304 12.781 -1.498 1.00 1.00 H new ATOM 906 N ASP A 60 -0.078 10.452 -5.097 1.00 1.00 N ATOM 907 CA ASP A 60 -0.608 9.254 -5.725 1.00 1.00 C ATOM 908 C ASP A 60 0.408 8.119 -5.586 1.00 1.00 C ATOM 909 O ASP A 60 1.615 8.356 -5.602 1.00 1.00 O ATOM 910 CB ASP A 60 -0.864 9.480 -7.216 1.00 1.00 C ATOM 911 CG ASP A 60 0.395 9.577 -8.081 1.00 1.00 C ATOM 912 OD1 ASP A 60 1.451 9.924 -7.509 1.00 1.00 O ATOM 913 OD2 ASP A 60 0.273 9.302 -9.294 1.00 1.00 O ATOM 0 H ASP A 60 0.890 10.667 -5.337 1.00 1.00 H new ATOM 0 HA ASP A 60 -1.547 9.003 -5.233 1.00 1.00 H new ATOM 0 HB2 ASP A 60 -1.482 8.664 -7.591 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -1.440 10.397 -7.335 1.00 1.00 H new ATOM 918 N VAL A 61 -0.117 6.910 -5.454 1.00 1.00 N ATOM 919 CA VAL A 61 0.729 5.737 -5.312 1.00 1.00 C ATOM 920 C VAL A 61 0.035 4.532 -5.950 1.00 1.00 C ATOM 921 O VAL A 61 -1.096 4.641 -6.423 1.00 1.00 O ATOM 922 CB VAL A 61 1.076 5.516 -3.839 1.00 1.00 C ATOM 923 CG1 VAL A 61 1.912 6.675 -3.292 1.00 1.00 C ATOM 924 CG2 VAL A 61 -0.189 5.311 -3.003 1.00 1.00 C ATOM 0 H VAL A 61 -1.119 6.717 -5.442 1.00 1.00 H new ATOM 0 HA VAL A 61 1.674 5.883 -5.836 1.00 1.00 H new ATOM 0 HB VAL A 61 1.676 4.608 -3.769 1.00 1.00 H new ATOM 0 HG11 VAL A 61 2.145 6.492 -2.243 1.00 1.00 H new ATOM 0 HG12 VAL A 61 2.838 6.755 -3.861 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.349 7.604 -3.382 1.00 1.00 H new ATOM 0 HG21 VAL A 61 0.086 5.156 -1.960 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -0.825 6.192 -3.084 1.00 1.00 H new ATOM 0 HG23 VAL A 61 -0.730 4.438 -3.369 1.00 1.00 H new ATOM 934 N THR A 62 0.740 3.411 -5.943 1.00 1.00 N ATOM 935 CA THR A 62 0.206 2.187 -6.515 1.00 1.00 C ATOM 936 C THR A 62 0.489 0.999 -5.593 1.00 1.00 C ATOM 937 O THR A 62 1.597 0.860 -5.077 1.00 1.00 O ATOM 938 CB THR A 62 0.797 2.023 -7.917 1.00 1.00 C ATOM 939 OG1 THR A 62 -0.157 2.648 -8.771 1.00 1.00 O ATOM 940 CG2 THR A 62 0.812 0.564 -8.379 1.00 1.00 C ATOM 0 H THR A 62 1.677 3.324 -5.550 1.00 1.00 H new ATOM 0 HA THR A 62 -0.879 2.234 -6.608 1.00 1.00 H new ATOM 0 HB THR A 62 1.813 2.419 -7.931 1.00 1.00 H new ATOM 0 HG1 THR A 62 -0.254 3.590 -8.519 1.00 1.00 H new ATOM 0 HG21 THR A 62 1.241 0.503 -9.379 1.00 1.00 H new ATOM 0 HG22 THR A 62 1.413 -0.030 -7.690 1.00 1.00 H new ATOM 0 HG23 THR A 62 -0.207 0.178 -8.397 1.00 1.00 H new ATOM 948 N ILE A 63 -0.531 0.174 -5.415 1.00 1.00 N ATOM 949 CA ILE A 63 -0.406 -0.998 -4.564 1.00 1.00 C ATOM 950 C ILE A 63 -0.350 -2.253 -5.437 1.00 1.00 C ATOM 951 O ILE A 63 -0.826 -2.247 -6.571 1.00 1.00 O ATOM 952 CB ILE A 63 -1.525 -1.024 -3.520 1.00 1.00 C ATOM 953 CG1 ILE A 63 -0.952 -0.993 -2.102 1.00 1.00 C ATOM 954 CG2 ILE A 63 -2.451 -2.222 -3.739 1.00 1.00 C ATOM 955 CD1 ILE A 63 -1.072 0.405 -1.492 1.00 1.00 C ATOM 0 H ILE A 63 -1.448 0.293 -5.845 1.00 1.00 H new ATOM 0 HA ILE A 63 0.525 -0.961 -3.999 1.00 1.00 H new ATOM 0 HB ILE A 63 -2.128 -0.125 -3.643 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -1.480 -1.713 -1.477 1.00 1.00 H new ATOM 0 HG13 ILE A 63 0.095 -1.296 -2.122 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -3.237 -2.217 -2.984 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -2.900 -2.159 -4.730 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -1.877 -3.145 -3.659 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -0.657 0.399 -0.484 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -0.523 1.118 -2.106 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -2.122 0.695 -1.451 1.00 1.00 H new ATOM 967 N THR A 64 0.236 -3.300 -4.874 1.00 1.00 N ATOM 968 CA THR A 64 0.361 -4.560 -5.587 1.00 1.00 C ATOM 969 C THR A 64 0.041 -5.733 -4.658 1.00 1.00 C ATOM 970 O THR A 64 0.271 -5.655 -3.452 1.00 1.00 O ATOM 971 CB THR A 64 1.767 -4.627 -6.187 1.00 1.00 C ATOM 972 OG1 THR A 64 2.085 -3.269 -6.479 1.00 1.00 O ATOM 973 CG2 THR A 64 1.789 -5.316 -7.553 1.00 1.00 C ATOM 0 H THR A 64 0.629 -3.301 -3.933 1.00 1.00 H new ATOM 0 HA THR A 64 -0.360 -4.626 -6.402 1.00 1.00 H new ATOM 0 HB THR A 64 2.428 -5.158 -5.502 1.00 1.00 H new ATOM 0 HG1 THR A 64 2.982 -3.220 -6.871 1.00 1.00 H new ATOM 0 HG21 THR A 64 2.810 -5.337 -7.934 1.00 1.00 H new ATOM 0 HG22 THR A 64 1.419 -6.336 -7.452 1.00 1.00 H new ATOM 0 HG23 THR A 64 1.154 -4.767 -8.248 1.00 1.00 H new ATOM 981 N VAL A 65 -0.486 -6.792 -5.255 1.00 1.00 N ATOM 982 CA VAL A 65 -0.840 -7.979 -4.495 1.00 1.00 C ATOM 983 C VAL A 65 -0.517 -9.224 -5.324 1.00 1.00 C ATOM 984 O VAL A 65 -1.080 -9.422 -6.400 1.00 1.00 O ATOM 985 CB VAL A 65 -2.308 -7.909 -4.069 1.00 1.00 C ATOM 986 CG1 VAL A 65 -3.194 -8.717 -5.020 1.00 1.00 C ATOM 987 CG2 VAL A 65 -2.483 -8.380 -2.624 1.00 1.00 C ATOM 0 H VAL A 65 -0.676 -6.853 -6.255 1.00 1.00 H new ATOM 0 HA VAL A 65 -0.252 -8.036 -3.579 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.623 -6.867 -4.122 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -4.232 -8.651 -4.695 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -3.104 -8.317 -6.030 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -2.878 -9.760 -5.014 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -3.535 -8.320 -2.347 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.142 -9.411 -2.534 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -1.896 -7.745 -1.961 1.00 1.00 H new ATOM 997 N ASP A 66 0.388 -10.032 -4.791 1.00 1.00 N ATOM 998 CA ASP A 66 0.793 -11.252 -5.468 1.00 1.00 C ATOM 999 C ASP A 66 0.934 -12.377 -4.440 1.00 1.00 C ATOM 1000 O ASP A 66 1.720 -12.268 -3.499 1.00 1.00 O ATOM 1001 CB ASP A 66 2.144 -11.074 -6.163 1.00 1.00 C ATOM 1002 CG ASP A 66 2.747 -9.672 -6.055 1.00 1.00 C ATOM 1003 OD1 ASP A 66 1.964 -8.706 -6.180 1.00 1.00 O ATOM 1004 OD2 ASP A 66 3.978 -9.599 -5.850 1.00 1.00 O ATOM 0 H ASP A 66 0.852 -9.865 -3.898 1.00 1.00 H new ATOM 0 HA ASP A 66 0.034 -11.493 -6.212 1.00 1.00 H new ATOM 0 HB2 ASP A 66 2.850 -11.790 -5.742 1.00 1.00 H new ATOM 0 HB3 ASP A 66 2.029 -11.323 -7.218 1.00 1.00 H new ATOM 1009 N GLY A 67 0.162 -13.432 -4.654 1.00 1.00 N ATOM 1010 CA GLY A 67 0.192 -14.575 -3.759 1.00 1.00 C ATOM 1011 C GLY A 67 -1.208 -15.165 -3.576 1.00 1.00 C ATOM 1012 O GLY A 67 -1.932 -15.368 -4.550 1.00 1.00 O ATOM 0 H GLY A 67 -0.488 -13.519 -5.435 1.00 1.00 H new ATOM 0 HA2 GLY A 67 0.862 -15.336 -4.158 1.00 1.00 H new ATOM 0 HA3 GLY A 67 0.593 -14.273 -2.791 1.00 1.00 H new ATOM 1016 N ALA A 68 -1.548 -15.424 -2.322 1.00 1.00 N ATOM 1017 CA ALA A 68 -2.848 -15.987 -2.000 1.00 1.00 C ATOM 1018 C ALA A 68 -3.817 -14.855 -1.651 1.00 1.00 C ATOM 1019 O ALA A 68 -4.834 -14.675 -2.319 1.00 1.00 O ATOM 1020 CB ALA A 68 -2.699 -16.999 -0.862 1.00 1.00 C ATOM 0 H ALA A 68 -0.945 -15.254 -1.517 1.00 1.00 H new ATOM 0 HA ALA A 68 -3.259 -16.520 -2.858 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -3.674 -17.421 -0.621 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -2.024 -17.797 -1.171 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -2.292 -16.500 0.017 1.00 1.00 H new ATOM 1026 N ASP A 69 -3.466 -14.122 -0.604 1.00 1.00 N ATOM 1027 CA ASP A 69 -4.292 -13.012 -0.158 1.00 1.00 C ATOM 1028 C ASP A 69 -4.776 -12.221 -1.375 1.00 1.00 C ATOM 1029 O ASP A 69 -5.960 -11.906 -1.483 1.00 1.00 O ATOM 1030 CB ASP A 69 -3.497 -12.061 0.739 1.00 1.00 C ATOM 1031 CG ASP A 69 -4.136 -11.769 2.098 1.00 1.00 C ATOM 1032 OD1 ASP A 69 -3.869 -12.556 3.032 1.00 1.00 O ATOM 1033 OD2 ASP A 69 -4.878 -10.765 2.173 1.00 1.00 O ATOM 0 H ASP A 69 -2.622 -14.275 -0.052 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.132 -13.420 0.404 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -2.506 -12.484 0.904 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -3.357 -11.118 0.210 1.00 1.00 H new ATOM 1038 N GLU A 70 -3.836 -11.923 -2.259 1.00 1.00 N ATOM 1039 CA GLU A 70 -4.153 -11.175 -3.464 1.00 1.00 C ATOM 1040 C GLU A 70 -5.458 -10.398 -3.279 1.00 1.00 C ATOM 1041 O GLU A 70 -5.439 -9.229 -2.897 1.00 1.00 O ATOM 1042 CB GLU A 70 -4.234 -12.101 -4.679 1.00 1.00 C ATOM 1043 CG GLU A 70 -3.478 -13.407 -4.425 1.00 1.00 C ATOM 1044 CD GLU A 70 -4.205 -14.593 -5.062 1.00 1.00 C ATOM 1045 OE1 GLU A 70 -4.646 -14.432 -6.220 1.00 1.00 O ATOM 1046 OE2 GLU A 70 -4.301 -15.634 -4.377 1.00 1.00 O ATOM 0 H GLU A 70 -2.855 -12.186 -2.165 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.350 -10.460 -3.646 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -5.278 -12.319 -4.906 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -3.817 -11.599 -5.552 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -2.469 -13.333 -4.832 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -3.378 -13.571 -3.352 1.00 1.00 H new ATOM 1053 N ALA A 71 -6.559 -11.079 -3.558 1.00 1.00 N ATOM 1054 CA ALA A 71 -7.871 -10.467 -3.427 1.00 1.00 C ATOM 1055 C ALA A 71 -7.999 -9.837 -2.039 1.00 1.00 C ATOM 1056 O ALA A 71 -8.046 -8.615 -1.909 1.00 1.00 O ATOM 1057 CB ALA A 71 -8.952 -11.516 -3.694 1.00 1.00 C ATOM 0 H ALA A 71 -6.570 -12.049 -3.874 1.00 1.00 H new ATOM 0 HA ALA A 71 -7.999 -9.672 -4.162 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -9.936 -11.058 -3.596 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -8.835 -11.911 -4.703 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -8.857 -12.328 -2.973 1.00 1.00 H new ATOM 1063 N GLU A 72 -8.052 -10.701 -1.035 1.00 1.00 N ATOM 1064 CA GLU A 72 -8.173 -10.245 0.339 1.00 1.00 C ATOM 1065 C GLU A 72 -7.119 -9.177 0.639 1.00 1.00 C ATOM 1066 O GLU A 72 -7.438 -8.121 1.183 1.00 1.00 O ATOM 1067 CB GLU A 72 -8.061 -11.416 1.317 1.00 1.00 C ATOM 1068 CG GLU A 72 -8.153 -12.755 0.583 1.00 1.00 C ATOM 1069 CD GLU A 72 -8.337 -13.910 1.569 1.00 1.00 C ATOM 1070 OE1 GLU A 72 -7.562 -13.949 2.548 1.00 1.00 O ATOM 1071 OE2 GLU A 72 -9.250 -14.728 1.321 1.00 1.00 O ATOM 0 H GLU A 72 -8.013 -11.714 -1.146 1.00 1.00 H new ATOM 0 HA GLU A 72 -9.160 -9.800 0.468 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -7.115 -11.356 1.854 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -8.855 -11.350 2.061 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -8.988 -12.733 -0.117 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -7.249 -12.914 -0.005 1.00 1.00 H new ATOM 1078 N GLY A 73 -5.885 -9.489 0.271 1.00 1.00 N ATOM 1079 CA GLY A 73 -4.783 -8.569 0.494 1.00 1.00 C ATOM 1080 C GLY A 73 -5.141 -7.159 0.021 1.00 1.00 C ATOM 1081 O GLY A 73 -5.480 -6.297 0.830 1.00 1.00 O ATOM 0 H GLY A 73 -5.624 -10.366 -0.180 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -4.531 -8.548 1.554 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -3.898 -8.921 -0.037 1.00 1.00 H new ATOM 1085 N MET A 74 -5.053 -6.968 -1.287 1.00 1.00 N ATOM 1086 CA MET A 74 -5.363 -5.677 -1.877 1.00 1.00 C ATOM 1087 C MET A 74 -6.779 -5.231 -1.506 1.00 1.00 C ATOM 1088 O MET A 74 -7.041 -4.037 -1.366 1.00 1.00 O ATOM 1089 CB MET A 74 -5.239 -5.768 -3.400 1.00 1.00 C ATOM 1090 CG MET A 74 -5.959 -7.008 -3.935 1.00 1.00 C ATOM 1091 SD MET A 74 -7.135 -6.535 -5.192 1.00 1.00 S ATOM 1092 CE MET A 74 -8.617 -6.422 -4.204 1.00 1.00 C ATOM 0 H MET A 74 -4.771 -7.686 -1.955 1.00 1.00 H new ATOM 0 HA MET A 74 -4.657 -4.942 -1.489 1.00 1.00 H new ATOM 0 HB2 MET A 74 -5.660 -4.873 -3.857 1.00 1.00 H new ATOM 0 HB3 MET A 74 -4.187 -5.804 -3.681 1.00 1.00 H new ATOM 0 HG2 MET A 74 -5.234 -7.709 -4.349 1.00 1.00 H new ATOM 0 HG3 MET A 74 -6.471 -7.521 -3.121 1.00 1.00 H new ATOM 0 HE1 MET A 74 -9.491 -6.453 -4.854 1.00 1.00 H new ATOM 0 HE2 MET A 74 -8.654 -7.259 -3.506 1.00 1.00 H new ATOM 0 HE3 MET A 74 -8.612 -5.485 -3.647 1.00 1.00 H new ATOM 1102 N ALA A 75 -7.655 -6.214 -1.357 1.00 1.00 N ATOM 1103 CA ALA A 75 -9.037 -5.937 -1.005 1.00 1.00 C ATOM 1104 C ALA A 75 -9.074 -4.938 0.153 1.00 1.00 C ATOM 1105 O ALA A 75 -9.707 -3.888 0.051 1.00 1.00 O ATOM 1106 CB ALA A 75 -9.750 -7.248 -0.667 1.00 1.00 C ATOM 0 H ALA A 75 -7.434 -7.203 -1.474 1.00 1.00 H new ATOM 0 HA ALA A 75 -9.564 -5.486 -1.846 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -10.787 -7.041 -0.403 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -9.721 -7.911 -1.532 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -9.250 -7.728 0.175 1.00 1.00 H new ATOM 1112 N ALA A 76 -8.388 -5.300 1.226 1.00 1.00 N ATOM 1113 CA ALA A 76 -8.334 -4.448 2.402 1.00 1.00 C ATOM 1114 C ALA A 76 -7.688 -3.112 2.030 1.00 1.00 C ATOM 1115 O ALA A 76 -8.268 -2.052 2.263 1.00 1.00 O ATOM 1116 CB ALA A 76 -7.579 -5.169 3.521 1.00 1.00 C ATOM 0 H ALA A 76 -7.865 -6.172 1.306 1.00 1.00 H new ATOM 0 HA ALA A 76 -9.338 -4.237 2.769 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -7.538 -4.530 4.403 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -8.095 -6.097 3.769 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -6.565 -5.394 3.189 1.00 1.00 H new ATOM 1122 N ILE A 77 -6.497 -3.206 1.457 1.00 1.00 N ATOM 1123 CA ILE A 77 -5.766 -2.018 1.051 1.00 1.00 C ATOM 1124 C ILE A 77 -6.702 -1.091 0.271 1.00 1.00 C ATOM 1125 O ILE A 77 -6.903 0.060 0.655 1.00 1.00 O ATOM 1126 CB ILE A 77 -4.502 -2.404 0.281 1.00 1.00 C ATOM 1127 CG1 ILE A 77 -3.263 -2.294 1.172 1.00 1.00 C ATOM 1128 CG2 ILE A 77 -4.363 -1.575 -0.998 1.00 1.00 C ATOM 1129 CD1 ILE A 77 -3.234 -0.953 1.909 1.00 1.00 C ATOM 0 H ILE A 77 -6.020 -4.087 1.264 1.00 1.00 H new ATOM 0 HA ILE A 77 -5.423 -1.464 1.925 1.00 1.00 H new ATOM 0 HB ILE A 77 -4.591 -3.448 -0.020 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -3.257 -3.110 1.894 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.364 -2.399 0.565 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.456 -1.870 -1.526 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -5.228 -1.747 -1.639 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -4.306 -0.517 -0.742 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -2.343 -0.901 2.535 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -3.216 -0.140 1.184 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.122 -0.862 2.534 1.00 1.00 H new ATOM 1141 N VAL A 78 -7.249 -1.628 -0.810 1.00 1.00 N ATOM 1142 CA VAL A 78 -8.158 -0.863 -1.646 1.00 1.00 C ATOM 1143 C VAL A 78 -9.214 -0.194 -0.765 1.00 1.00 C ATOM 1144 O VAL A 78 -9.322 1.031 -0.740 1.00 1.00 O ATOM 1145 CB VAL A 78 -8.763 -1.767 -2.723 1.00 1.00 C ATOM 1146 CG1 VAL A 78 -9.477 -0.940 -3.795 1.00 1.00 C ATOM 1147 CG2 VAL A 78 -7.695 -2.668 -3.346 1.00 1.00 C ATOM 0 H VAL A 78 -7.080 -2.583 -1.126 1.00 1.00 H new ATOM 0 HA VAL A 78 -7.622 -0.071 -2.168 1.00 1.00 H new ATOM 0 HB VAL A 78 -9.504 -2.408 -2.245 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -9.898 -1.606 -4.548 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -10.278 -0.361 -3.335 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.765 -0.263 -4.267 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -8.151 -3.300 -4.108 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -6.920 -2.052 -3.802 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -7.252 -3.295 -2.572 1.00 1.00 H new ATOM 1157 N GLU A 79 -9.968 -1.027 -0.063 1.00 1.00 N ATOM 1158 CA GLU A 79 -11.012 -0.531 0.818 1.00 1.00 C ATOM 1159 C GLU A 79 -10.438 0.495 1.797 1.00 1.00 C ATOM 1160 O GLU A 79 -11.087 1.492 2.108 1.00 1.00 O ATOM 1161 CB GLU A 79 -11.691 -1.681 1.565 1.00 1.00 C ATOM 1162 CG GLU A 79 -13.073 -1.975 0.978 1.00 1.00 C ATOM 1163 CD GLU A 79 -14.175 -1.684 1.998 1.00 1.00 C ATOM 1164 OE1 GLU A 79 -14.154 -0.564 2.552 1.00 1.00 O ATOM 1165 OE2 GLU A 79 -15.014 -2.589 2.201 1.00 1.00 O ATOM 0 H GLU A 79 -9.877 -2.043 -0.086 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.770 -0.038 0.209 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -11.070 -2.575 1.507 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -11.787 -1.428 2.621 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -13.229 -1.369 0.086 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -13.126 -3.019 0.668 1.00 1.00 H new ATOM 1172 N THR A 80 -9.226 0.215 2.255 1.00 1.00 N ATOM 1173 CA THR A 80 -8.557 1.101 3.192 1.00 1.00 C ATOM 1174 C THR A 80 -8.163 2.408 2.501 1.00 1.00 C ATOM 1175 O THR A 80 -8.559 3.488 2.935 1.00 1.00 O ATOM 1176 CB THR A 80 -7.368 0.347 3.790 1.00 1.00 C ATOM 1177 OG1 THR A 80 -7.673 0.264 5.179 1.00 1.00 O ATOM 1178 CG2 THR A 80 -6.073 1.161 3.740 1.00 1.00 C ATOM 0 H THR A 80 -8.690 -0.613 1.994 1.00 1.00 H new ATOM 0 HA THR A 80 -9.221 1.388 4.008 1.00 1.00 H new ATOM 0 HB THR A 80 -7.227 -0.592 3.254 1.00 1.00 H new ATOM 0 HG1 THR A 80 -7.884 -0.664 5.413 1.00 1.00 H new ATOM 0 HG21 THR A 80 -5.261 0.580 4.177 1.00 1.00 H new ATOM 0 HG22 THR A 80 -5.833 1.399 2.704 1.00 1.00 H new ATOM 0 HG23 THR A 80 -6.202 2.085 4.304 1.00 1.00 H new ATOM 1186 N LEU A 81 -7.386 2.266 1.437 1.00 1.00 N ATOM 1187 CA LEU A 81 -6.933 3.422 0.682 1.00 1.00 C ATOM 1188 C LEU A 81 -8.061 4.454 0.611 1.00 1.00 C ATOM 1189 O LEU A 81 -7.823 5.650 0.768 1.00 1.00 O ATOM 1190 CB LEU A 81 -6.405 2.993 -0.689 1.00 1.00 C ATOM 1191 CG LEU A 81 -4.953 2.514 -0.728 1.00 1.00 C ATOM 1192 CD1 LEU A 81 -4.017 3.636 -1.182 1.00 1.00 C ATOM 1193 CD2 LEU A 81 -4.532 1.928 0.621 1.00 1.00 C ATOM 0 H LEU A 81 -7.059 1.368 1.080 1.00 1.00 H new ATOM 0 HA LEU A 81 -6.094 3.901 1.186 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -7.041 2.193 -1.067 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -6.508 3.833 -1.375 1.00 1.00 H new ATOM 0 HG LEU A 81 -4.878 1.714 -1.464 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -2.991 3.269 -1.201 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -4.303 3.966 -2.181 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.090 4.474 -0.488 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -3.496 1.595 0.566 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -4.628 2.690 1.394 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -5.173 1.081 0.865 1.00 1.00 H new ATOM 1205 N GLN A 82 -9.264 3.952 0.375 1.00 1.00 N ATOM 1206 CA GLN A 82 -10.429 4.815 0.281 1.00 1.00 C ATOM 1207 C GLN A 82 -11.153 4.877 1.628 1.00 1.00 C ATOM 1208 O GLN A 82 -11.942 5.789 1.871 1.00 1.00 O ATOM 1209 CB GLN A 82 -11.373 4.345 -0.827 1.00 1.00 C ATOM 1210 CG GLN A 82 -11.576 2.829 -0.768 1.00 1.00 C ATOM 1211 CD GLN A 82 -13.026 2.458 -1.086 1.00 1.00 C ATOM 1212 OE1 GLN A 82 -13.350 1.983 -2.162 1.00 1.00 O ATOM 1213 NE2 GLN A 82 -13.877 2.700 -0.094 1.00 1.00 N ATOM 0 H GLN A 82 -9.457 2.959 0.246 1.00 1.00 H new ATOM 0 HA GLN A 82 -10.093 5.819 0.024 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -12.335 4.848 -0.728 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -10.966 4.623 -1.799 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -10.908 2.341 -1.478 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -11.312 2.461 0.223 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -13.539 3.099 0.782 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -14.868 2.486 -0.209 1.00 1.00 H new ATOM 1222 N LYS A 83 -10.859 3.895 2.467 1.00 1.00 N ATOM 1223 CA LYS A 83 -11.472 3.827 3.783 1.00 1.00 C ATOM 1224 C LYS A 83 -10.874 4.915 4.677 1.00 1.00 C ATOM 1225 O LYS A 83 -11.556 5.451 5.549 1.00 1.00 O ATOM 1226 CB LYS A 83 -11.343 2.416 4.361 1.00 1.00 C ATOM 1227 CG LYS A 83 -10.571 2.433 5.682 1.00 1.00 C ATOM 1228 CD LYS A 83 -10.646 1.073 6.378 1.00 1.00 C ATOM 1229 CE LYS A 83 -10.773 -0.059 5.358 1.00 1.00 C ATOM 1230 NZ LYS A 83 -11.104 -1.333 6.035 1.00 1.00 N ATOM 0 H LYS A 83 -10.205 3.140 2.261 1.00 1.00 H new ATOM 0 HA LYS A 83 -12.542 4.023 3.715 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -12.335 1.992 4.521 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -10.832 1.771 3.646 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -9.529 2.693 5.495 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -10.979 3.203 6.336 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -9.753 0.922 6.985 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -11.500 1.054 7.056 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -11.547 0.185 4.630 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -9.839 -0.166 4.806 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -11.186 -2.091 5.328 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -10.352 -1.572 6.712 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -12.007 -1.233 6.542 1.00 1.00 H new ATOM 1244 N GLU A 84 -9.606 5.208 4.430 1.00 1.00 N ATOM 1245 CA GLU A 84 -8.908 6.222 5.201 1.00 1.00 C ATOM 1246 C GLU A 84 -8.756 7.504 4.379 1.00 1.00 C ATOM 1247 O GLU A 84 -7.946 8.367 4.713 1.00 1.00 O ATOM 1248 CB GLU A 84 -7.547 5.711 5.676 1.00 1.00 C ATOM 1249 CG GLU A 84 -7.179 4.401 4.976 1.00 1.00 C ATOM 1250 CD GLU A 84 -6.504 4.669 3.629 1.00 1.00 C ATOM 1251 OE1 GLU A 84 -6.971 5.598 2.936 1.00 1.00 O ATOM 1252 OE2 GLU A 84 -5.537 3.938 3.323 1.00 1.00 O ATOM 0 H GLU A 84 -9.044 4.760 3.706 1.00 1.00 H new ATOM 0 HA GLU A 84 -9.502 6.449 6.086 1.00 1.00 H new ATOM 0 HB2 GLU A 84 -6.783 6.462 5.476 1.00 1.00 H new ATOM 0 HB3 GLU A 84 -7.568 5.558 6.755 1.00 1.00 H new ATOM 0 HG2 GLU A 84 -6.511 3.820 5.612 1.00 1.00 H new ATOM 0 HG3 GLU A 84 -8.076 3.801 4.824 1.00 1.00 H new ATOM 1259 N GLY A 85 -9.548 7.587 3.320 1.00 1.00 N ATOM 1260 CA GLY A 85 -9.511 8.748 2.447 1.00 1.00 C ATOM 1261 C GLY A 85 -8.071 9.112 2.079 1.00 1.00 C ATOM 1262 O GLY A 85 -7.800 10.234 1.654 1.00 1.00 O ATOM 0 H GLY A 85 -10.219 6.869 3.047 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -10.081 8.544 1.541 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -9.989 9.594 2.941 1.00 1.00 H new ATOM 1266 N LEU A 86 -7.186 8.143 2.256 1.00 1.00 N ATOM 1267 CA LEU A 86 -5.781 8.347 1.948 1.00 1.00 C ATOM 1268 C LEU A 86 -5.516 7.937 0.498 1.00 1.00 C ATOM 1269 O LEU A 86 -4.383 8.009 0.026 1.00 1.00 O ATOM 1270 CB LEU A 86 -4.898 7.619 2.964 1.00 1.00 C ATOM 1271 CG LEU A 86 -3.491 8.187 3.159 1.00 1.00 C ATOM 1272 CD1 LEU A 86 -3.457 9.181 4.322 1.00 1.00 C ATOM 1273 CD2 LEU A 86 -2.466 7.065 3.334 1.00 1.00 C ATOM 0 H LEU A 86 -7.415 7.214 2.609 1.00 1.00 H new ATOM 0 HA LEU A 86 -5.522 9.402 2.034 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -5.407 7.624 3.928 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -4.808 6.577 2.657 1.00 1.00 H new ATOM 0 HG LEU A 86 -3.217 8.736 2.258 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -2.445 9.570 4.439 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -4.141 10.005 4.117 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -3.761 8.678 5.240 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -1.474 7.496 3.471 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -2.726 6.468 4.208 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -2.467 6.430 2.448 1.00 1.00 H new ATOM 1285 N ALA A 87 -6.582 7.517 -0.168 1.00 1.00 N ATOM 1286 CA ALA A 87 -6.479 7.096 -1.555 1.00 1.00 C ATOM 1287 C ALA A 87 -7.878 6.806 -2.101 1.00 1.00 C ATOM 1288 O ALA A 87 -8.797 6.512 -1.337 1.00 1.00 O ATOM 1289 CB ALA A 87 -5.552 5.883 -1.653 1.00 1.00 C ATOM 0 H ALA A 87 -7.521 7.459 0.227 1.00 1.00 H new ATOM 0 HA ALA A 87 -6.045 7.888 -2.165 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -5.475 5.567 -2.693 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -4.563 6.150 -1.280 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -5.957 5.066 -1.055 1.00 1.00 H new ATOM 1295 N GLU A 88 -7.997 6.898 -3.417 1.00 1.00 N ATOM 1296 CA GLU A 88 -9.269 6.648 -4.073 1.00 1.00 C ATOM 1297 C GLU A 88 -9.739 5.219 -3.795 1.00 1.00 C ATOM 1298 O GLU A 88 -9.109 4.494 -3.026 1.00 1.00 O ATOM 1299 CB GLU A 88 -9.170 6.910 -5.578 1.00 1.00 C ATOM 1300 CG GLU A 88 -8.556 8.283 -5.856 1.00 1.00 C ATOM 1301 CD GLU A 88 -9.026 8.830 -7.206 1.00 1.00 C ATOM 1302 OE1 GLU A 88 -8.438 8.409 -8.225 1.00 1.00 O ATOM 1303 OE2 GLU A 88 -9.963 9.658 -7.187 1.00 1.00 O ATOM 0 H GLU A 88 -7.233 7.142 -4.047 1.00 1.00 H new ATOM 0 HA GLU A 88 -10.008 7.338 -3.665 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -8.564 6.135 -6.047 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -10.162 6.854 -6.027 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -8.833 8.977 -5.062 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -7.469 8.207 -5.849 1.00 1.00 H new