USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 924 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 HIS : no HE2:sc= -2.79! C(o=-2.1!,f=-7.3!) USER MOD Set 1.2: A 56 SER OG : rot 81:sc= 0.651 USER MOD Set 2.1: A 44 LYS NZ :NH3+ 174:sc= 1.72 (180deg=1.62) USER MOD Set 2.2: A 85 SER OG : rot -8:sc= 0.967 USER MOD Set 3.1: A 18 LYS NZ :NH3+ -169:sc= 1.7 (180deg=0.529) USER MOD Set 3.2: A 73 GLN : amide:sc= -2.38! K(o=-0.69!,f=-6.6) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -153:sc= 0.847! (180deg=0.649!) USER MOD Single : A 23 ASN : amide:sc= 0.0084 K(o=0.0084,f=-0.6) USER MOD Single : A 27 TYR OH : rot 30:sc= -0.035 USER MOD Single : A 29 CYS SG : rot 108:sc= 0.531 USER MOD Single : A 31 LYS NZ :NH3+ -134:sc= -0.126 (180deg=-1.68!) USER MOD Single : A 40 HIS : no HE2:sc= 0.653 K(o=0.65,f=-4.7!) USER MOD Single : A 45 LYS NZ :NH3+ -133:sc= 0.821 (180deg=-0.261) USER MOD Single : A 48 SER OG : rot 150:sc= 0.397 USER MOD Single : A 52 THR OG1 : rot -71:sc= -0.066 USER MOD Single : A 57 CYS SG : rot -25:sc= 0.0455 USER MOD Single : A 59 THR OG1 : rot 105:sc= 1.08 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0945 USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= 1.68 (180deg=0.354) USER MOD Single : A 67 LYS NZ :NH3+ -150:sc= 0.135 (180deg=-1.41!) USER MOD Single : A 71 TYR OH : rot -15:sc= -1.44 USER MOD Single : A 75 ASN : amide:sc= -0.399 K(o=-0.4,f=-2.9!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 95:sc= 1.06 USER MOD Single : A 90 LYS NZ :NH3+ 157:sc= 1.26 (180deg=-0.442!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= 0.186 K(o=0.19,f=-4.3!) USER MOD Single : A 97 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.11) USER MOD Single : A 98 LYS NZ :NH3+ -148:sc= 0.97 (180deg=0.672) USER MOD Single : A 100 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 105 LYS NZ :NH3+ 174:sc= 1.07! (180deg=0.6!) USER MOD Single : A 108 ASN : amide:sc= -0.88 K(o=-0.88,f=-0.18) USER MOD Single : A 110 LYS NZ :NH3+ 163:sc= 2.22 (180deg=0.796) USER MOD Single : A 113 HIS : no HE2:sc= -0.722 K(o=-0.41,f=-8.1!) USER MOD Single : A 115 LYS NZ :NH3+ 155:sc= -0.491 (180deg=-1.89!) USER MOD ----------------------------------------------------------------- ATOM 31 N ASP A 12 -15.134 -0.302 9.196 1.00 0.00 N ATOM 32 CA ASP A 12 -16.424 -0.836 8.756 1.00 0.00 C ATOM 33 C ASP A 12 -16.453 -1.135 7.247 1.00 0.00 C ATOM 34 O ASP A 12 -16.813 -2.246 6.853 1.00 0.00 O ATOM 35 CB ASP A 12 -17.525 0.170 9.130 1.00 0.00 C ATOM 36 CG ASP A 12 -17.035 1.600 8.987 1.00 0.00 C ATOM 37 OD1 ASP A 12 -16.897 2.095 7.873 1.00 0.00 O ATOM 38 OD2 ASP A 12 -16.670 2.202 10.000 1.00 0.00 O1- ATOM 0 HA ASP A 12 -16.593 -1.788 9.260 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -18.395 0.015 8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -17.848 -0.005 10.156 1.00 0.00 H new ATOM 43 N LEU A 13 -16.135 -0.156 6.420 1.00 0.00 N ATOM 44 CA LEU A 13 -15.999 -0.389 4.980 1.00 0.00 C ATOM 45 C LEU A 13 -14.678 -1.036 4.671 1.00 0.00 C ATOM 46 O LEU A 13 -14.653 -2.057 4.024 1.00 0.00 O ATOM 47 CB LEU A 13 -16.195 0.901 4.095 1.00 0.00 C ATOM 48 CG LEU A 13 -17.641 1.426 3.884 1.00 0.00 C ATOM 49 CD1 LEU A 13 -18.349 1.745 5.183 1.00 0.00 C ATOM 50 CD2 LEU A 13 -17.622 2.653 2.995 1.00 0.00 C ATOM 0 H LEU A 13 -15.965 0.807 6.712 1.00 0.00 H new ATOM 0 HA LEU A 13 -16.814 -1.062 4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -15.610 1.705 4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -15.765 0.701 3.113 1.00 0.00 H new ATOM 0 HG LEU A 13 -18.201 0.623 3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -19.355 2.107 4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -18.410 0.845 5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -17.793 2.513 5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -18.640 3.015 2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -17.022 3.433 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -17.190 2.395 2.028 1.00 0.00 H new ATOM 62 N THR A 14 -13.620 -0.502 5.261 1.00 0.00 N ATOM 63 CA THR A 14 -12.222 -0.823 4.945 1.00 0.00 C ATOM 64 C THR A 14 -11.855 -2.326 4.756 1.00 0.00 C ATOM 65 O THR A 14 -10.931 -2.607 4.024 1.00 0.00 O ATOM 66 CB THR A 14 -11.203 -0.055 5.837 1.00 0.00 C ATOM 67 OG1 THR A 14 -11.542 1.335 5.825 1.00 0.00 O ATOM 68 CG2 THR A 14 -9.817 -0.157 5.258 1.00 0.00 C ATOM 0 H THR A 14 -13.706 0.194 6.002 1.00 0.00 H new ATOM 0 HA THR A 14 -12.128 -0.439 3.929 1.00 0.00 H new ATOM 0 HB THR A 14 -11.233 -0.481 6.840 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.909 1.831 6.385 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.117 0.385 5.893 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.522 -1.205 5.204 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.808 0.275 4.257 1.00 0.00 H new ATOM 76 N GLU A 15 -12.569 -3.281 5.389 1.00 0.00 N ATOM 77 CA GLU A 15 -12.330 -4.752 5.136 1.00 0.00 C ATOM 78 C GLU A 15 -12.233 -5.058 3.613 1.00 0.00 C ATOM 79 O GLU A 15 -11.516 -5.966 3.175 1.00 0.00 O ATOM 80 CB GLU A 15 -13.460 -5.595 5.693 1.00 0.00 C ATOM 81 CG GLU A 15 -13.624 -5.570 7.188 1.00 0.00 C ATOM 82 CD GLU A 15 -14.721 -6.502 7.603 1.00 0.00 C ATOM 83 OE1 GLU A 15 -14.491 -7.727 7.619 1.00 0.00 O1- ATOM 84 OE2 GLU A 15 -15.849 -6.033 7.827 1.00 0.00 O ATOM 0 H GLU A 15 -13.304 -3.085 6.068 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.391 -4.998 5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.393 -5.262 5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.304 -6.628 5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.690 -5.859 7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.852 -4.557 7.519 1.00 0.00 H new ATOM 91 N VAL A 16 -12.954 -4.257 2.847 1.00 0.00 N ATOM 92 CA VAL A 16 -12.993 -4.268 1.387 1.00 0.00 C ATOM 93 C VAL A 16 -11.616 -4.159 0.714 1.00 0.00 C ATOM 94 O VAL A 16 -11.444 -4.563 -0.437 1.00 0.00 O ATOM 95 CB VAL A 16 -13.895 -3.192 0.853 1.00 0.00 C ATOM 96 CG1 VAL A 16 -15.323 -3.463 1.285 1.00 0.00 C ATOM 97 CG2 VAL A 16 -13.432 -1.903 1.376 1.00 0.00 C ATOM 0 H VAL A 16 -13.562 -3.541 3.245 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.391 -5.250 1.132 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.867 -3.175 -0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.975 -2.681 0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.644 -4.429 0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.378 -3.474 2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.074 -1.106 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.471 -1.917 2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.406 -1.726 1.052 1.00 0.00 H new ATOM 107 N LYS A 17 -10.678 -3.547 1.446 1.00 0.00 N ATOM 108 CA LYS A 17 -9.294 -3.199 1.050 1.00 0.00 C ATOM 109 C LYS A 17 -8.544 -4.279 0.245 1.00 0.00 C ATOM 110 O LYS A 17 -7.531 -3.971 -0.364 1.00 0.00 O ATOM 111 CB LYS A 17 -8.496 -2.859 2.321 1.00 0.00 C ATOM 112 CG LYS A 17 -8.163 -4.064 3.209 1.00 0.00 C ATOM 113 CD LYS A 17 -7.962 -3.666 4.673 1.00 0.00 C ATOM 114 CE LYS A 17 -6.970 -2.527 4.862 1.00 0.00 C ATOM 115 NZ LYS A 17 -5.608 -2.865 4.422 1.00 0.00 N1+ ATOM 0 H LYS A 17 -10.874 -3.257 2.404 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.378 -2.350 0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.566 -2.371 2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.064 -2.138 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.967 -4.797 3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.259 -4.547 2.838 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.923 -3.375 5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.617 -4.535 5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.318 -1.655 4.308 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.945 -2.246 5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.920 -2.298 4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.429 -3.876 4.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.511 -2.661 3.407 1.00 0.00 H new ATOM 129 N LYS A 18 -9.029 -5.521 0.275 1.00 0.00 N ATOM 130 CA LYS A 18 -8.421 -6.641 -0.436 1.00 0.00 C ATOM 131 C LYS A 18 -8.183 -6.247 -1.902 1.00 0.00 C ATOM 132 O LYS A 18 -7.080 -6.358 -2.378 1.00 0.00 O ATOM 133 CB LYS A 18 -9.362 -7.855 -0.398 1.00 0.00 C ATOM 134 CG LYS A 18 -8.718 -9.269 -0.277 1.00 0.00 C ATOM 135 CD LYS A 18 -7.629 -9.630 -1.322 1.00 0.00 C ATOM 136 CE LYS A 18 -6.222 -9.212 -0.864 1.00 0.00 C ATOM 137 NZ LYS A 18 -5.139 -9.833 -1.673 1.00 0.00 N1+ ATOM 0 H LYS A 18 -9.865 -5.778 0.800 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.475 -6.894 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.044 -7.724 0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.967 -7.839 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.279 -9.359 0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.513 -10.012 -0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.645 -10.704 -1.505 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.861 -9.142 -2.269 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.135 -8.127 -0.922 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.090 -9.487 0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.222 -9.668 -1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.308 -10.856 -1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.129 -9.409 -2.623 1.00 0.00 H new ATOM 151 N ASP A 19 -9.230 -5.745 -2.562 1.00 0.00 N ATOM 152 CA ASP A 19 -9.159 -5.345 -3.992 1.00 0.00 C ATOM 153 C ASP A 19 -8.381 -4.054 -4.185 1.00 0.00 C ATOM 154 O ASP A 19 -7.348 -4.041 -4.863 1.00 0.00 O ATOM 155 CB ASP A 19 -10.566 -5.185 -4.594 1.00 0.00 C ATOM 156 CG ASP A 19 -10.541 -4.497 -5.962 1.00 0.00 C ATOM 157 OD1 ASP A 19 -10.280 -5.170 -6.971 1.00 0.00 O ATOM 158 OD2 ASP A 19 -10.773 -3.269 -6.008 1.00 0.00 O1- ATOM 0 H ASP A 19 -10.146 -5.601 -2.137 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.632 -6.146 -4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.030 -6.166 -4.692 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.187 -4.606 -3.910 1.00 0.00 H new ATOM 163 N ALA A 20 -8.866 -2.981 -3.539 1.00 0.00 N ATOM 164 CA ALA A 20 -8.292 -1.629 -3.649 1.00 0.00 C ATOM 165 C ALA A 20 -6.795 -1.634 -3.500 1.00 0.00 C ATOM 166 O ALA A 20 -6.078 -1.012 -4.280 1.00 0.00 O ATOM 167 CB ALA A 20 -8.870 -0.715 -2.583 1.00 0.00 C ATOM 0 H ALA A 20 -9.675 -3.028 -2.920 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.547 -1.266 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.434 0.279 -2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.951 -0.651 -2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.641 -1.117 -1.596 1.00 0.00 H new ATOM 173 N LEU A 21 -6.322 -2.366 -2.523 1.00 0.00 N ATOM 174 CA LEU A 21 -4.928 -2.387 -2.218 1.00 0.00 C ATOM 175 C LEU A 21 -4.103 -3.187 -3.224 1.00 0.00 C ATOM 176 O LEU A 21 -2.941 -2.910 -3.373 1.00 0.00 O ATOM 177 CB LEU A 21 -4.665 -2.815 -0.768 1.00 0.00 C ATOM 178 CG LEU A 21 -4.830 -1.731 0.350 1.00 0.00 C ATOM 179 CD1 LEU A 21 -3.768 -0.660 0.220 1.00 0.00 C ATOM 180 CD2 LEU A 21 -6.197 -1.067 0.309 1.00 0.00 C ATOM 0 H LEU A 21 -6.896 -2.959 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.582 -1.358 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.336 -3.642 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.648 -3.203 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.724 -2.251 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.902 0.082 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.781 -1.113 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.855 -0.177 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.264 -0.323 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.337 -0.581 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.972 -1.820 0.451 1.00 0.00 H new ATOM 192 N GLU A 22 -4.714 -4.140 -3.936 1.00 0.00 N ATOM 193 CA GLU A 22 -3.996 -4.903 -4.986 1.00 0.00 C ATOM 194 C GLU A 22 -3.733 -3.980 -6.149 1.00 0.00 C ATOM 195 O GLU A 22 -2.612 -3.862 -6.648 1.00 0.00 O ATOM 196 CB GLU A 22 -4.829 -6.094 -5.494 1.00 0.00 C ATOM 197 CG GLU A 22 -5.111 -7.168 -4.468 1.00 0.00 C ATOM 198 CD GLU A 22 -3.901 -7.966 -4.063 1.00 0.00 C ATOM 199 OE1 GLU A 22 -2.838 -7.391 -3.827 1.00 0.00 O ATOM 200 OE2 GLU A 22 -4.035 -9.197 -3.893 1.00 0.00 O1- ATOM 0 H GLU A 22 -5.691 -4.406 -3.814 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.070 -5.287 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.779 -5.717 -5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.308 -6.548 -6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.540 -6.703 -3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.864 -7.848 -4.867 1.00 0.00 H new ATOM 207 N ASN A 23 -4.781 -3.289 -6.539 1.00 0.00 N ATOM 208 CA ASN A 23 -4.745 -2.322 -7.627 1.00 0.00 C ATOM 209 C ASN A 23 -3.780 -1.191 -7.281 1.00 0.00 C ATOM 210 O ASN A 23 -3.019 -0.709 -8.120 1.00 0.00 O ATOM 211 CB ASN A 23 -6.173 -1.789 -7.883 1.00 0.00 C ATOM 212 CG ASN A 23 -7.113 -2.894 -8.367 1.00 0.00 C ATOM 213 OD1 ASN A 23 -6.697 -3.785 -9.103 1.00 0.00 O ATOM 214 ND2 ASN A 23 -8.352 -2.873 -7.922 1.00 0.00 N ATOM 0 H ASN A 23 -5.700 -3.381 -6.106 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.388 -2.798 -8.540 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.568 -1.352 -6.966 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.136 -0.992 -8.626 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.002 -3.613 -8.187 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.662 -2.117 -7.312 1.00 0.00 H new ATOM 221 N LEU A 24 -3.786 -0.819 -6.023 1.00 0.00 N ATOM 222 CA LEU A 24 -2.921 0.214 -5.475 1.00 0.00 C ATOM 223 C LEU A 24 -1.458 -0.249 -5.460 1.00 0.00 C ATOM 224 O LEU A 24 -0.556 0.497 -5.831 1.00 0.00 O ATOM 225 CB LEU A 24 -3.450 0.547 -4.092 1.00 0.00 C ATOM 226 CG LEU A 24 -2.760 1.608 -3.280 1.00 0.00 C ATOM 227 CD1 LEU A 24 -3.809 2.300 -2.445 1.00 0.00 C ATOM 228 CD2 LEU A 24 -1.692 0.985 -2.375 1.00 0.00 C ATOM 0 H LEU A 24 -4.407 -1.234 -5.329 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.932 1.112 -6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.493 0.844 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.441 -0.372 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.262 2.320 -3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.340 3.078 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.557 2.749 -3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.290 1.574 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.204 1.769 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.161 0.271 -1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.951 0.471 -2.987 1.00 0.00 H new ATOM 240 N ARG A 25 -1.265 -1.493 -5.065 1.00 0.00 N ATOM 241 CA ARG A 25 0.021 -2.213 -5.073 1.00 0.00 C ATOM 242 C ARG A 25 0.638 -2.203 -6.500 1.00 0.00 C ATOM 243 O ARG A 25 1.858 -2.424 -6.691 1.00 0.00 O ATOM 244 CB ARG A 25 -0.276 -3.629 -4.524 1.00 0.00 C ATOM 245 CG ARG A 25 0.705 -4.755 -4.762 1.00 0.00 C ATOM 246 CD ARG A 25 0.050 -6.067 -4.299 1.00 0.00 C ATOM 247 NE ARG A 25 0.904 -7.246 -4.460 1.00 0.00 N ATOM 248 CZ ARG A 25 0.620 -8.475 -3.992 1.00 0.00 C ATOM 249 NH1 ARG A 25 -0.621 -8.789 -3.632 1.00 0.00 N1+ ATOM 250 NH2 ARG A 25 1.574 -9.412 -3.969 1.00 0.00 N ATOM 0 H ARG A 25 -2.029 -2.068 -4.710 1.00 0.00 H new ATOM 0 HA ARG A 25 0.774 -1.739 -4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.408 -3.537 -3.446 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.235 -3.942 -4.937 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.968 -4.813 -5.818 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.629 -4.577 -4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.228 -5.972 -3.249 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.872 -6.219 -4.860 1.00 0.00 H new ATOM 0 HE ARG A 25 1.782 -7.126 -4.966 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.365 -8.096 -3.710 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.829 -9.723 -3.278 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.512 -9.193 -4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.364 -10.345 -3.615 1.00 0.00 H new ATOM 264 N VAL A 26 -0.224 -2.008 -7.488 1.00 0.00 N ATOM 265 CA VAL A 26 0.179 -1.818 -8.860 1.00 0.00 C ATOM 266 C VAL A 26 0.391 -0.303 -9.200 1.00 0.00 C ATOM 267 O VAL A 26 1.480 0.086 -9.629 1.00 0.00 O ATOM 268 CB VAL A 26 -0.844 -2.445 -9.857 1.00 0.00 C ATOM 269 CG1 VAL A 26 -0.402 -2.242 -11.305 1.00 0.00 C ATOM 270 CG2 VAL A 26 -1.035 -3.929 -9.570 1.00 0.00 C ATOM 0 H VAL A 26 -1.234 -1.978 -7.350 1.00 0.00 H new ATOM 0 HA VAL A 26 1.132 -2.334 -8.973 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.797 -1.934 -9.717 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.135 -2.690 -11.975 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.322 -1.175 -11.515 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.568 -2.716 -11.459 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.752 -4.347 -10.276 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.081 -4.445 -9.674 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.409 -4.058 -8.554 1.00 0.00 H new ATOM 280 N TYR A 27 -0.634 0.548 -8.982 1.00 0.00 N ATOM 281 CA TYR A 27 -0.568 1.963 -9.445 1.00 0.00 C ATOM 282 C TYR A 27 0.262 2.931 -8.586 1.00 0.00 C ATOM 283 O TYR A 27 0.854 3.866 -9.122 1.00 0.00 O ATOM 284 CB TYR A 27 -1.973 2.597 -9.762 1.00 0.00 C ATOM 285 CG TYR A 27 -2.998 2.751 -8.603 1.00 0.00 C ATOM 286 CD1 TYR A 27 -2.740 3.543 -7.466 1.00 0.00 C ATOM 287 CD2 TYR A 27 -4.237 2.124 -8.673 1.00 0.00 C ATOM 288 CE1 TYR A 27 -3.678 3.677 -6.456 1.00 0.00 C ATOM 289 CE2 TYR A 27 -5.179 2.267 -7.666 1.00 0.00 C ATOM 290 CZ TYR A 27 -4.892 3.039 -6.563 1.00 0.00 C ATOM 291 OH TYR A 27 -5.829 3.188 -5.569 1.00 0.00 O ATOM 0 H TYR A 27 -1.498 0.296 -8.502 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.014 1.847 -10.377 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.802 3.586 -10.186 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -2.441 1.993 -10.540 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.793 4.055 -7.381 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.471 1.512 -9.531 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.457 4.280 -5.588 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.136 1.774 -7.747 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.724 4.067 -5.149 1.00 0.00 H new ATOM 301 N LEU A 28 0.333 2.704 -7.295 1.00 0.00 N ATOM 302 CA LEU A 28 0.909 3.700 -6.381 1.00 0.00 C ATOM 303 C LEU A 28 2.446 3.774 -6.438 1.00 0.00 C ATOM 304 O LEU A 28 3.048 4.730 -5.925 1.00 0.00 O ATOM 305 CB LEU A 28 0.421 3.461 -4.940 1.00 0.00 C ATOM 306 CG LEU A 28 -0.247 4.653 -4.232 1.00 0.00 C ATOM 307 CD1 LEU A 28 -0.515 4.338 -2.782 1.00 0.00 C ATOM 308 CD2 LEU A 28 0.574 5.918 -4.368 1.00 0.00 C ATOM 0 H LEU A 28 0.006 1.850 -6.843 1.00 0.00 H new ATOM 0 HA LEU A 28 0.551 4.671 -6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.287 2.632 -4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.273 3.143 -4.340 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.203 4.830 -4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.987 5.196 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.177 3.475 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.425 4.115 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.069 6.736 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.557 5.763 -3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.688 6.166 -5.423 1.00 0.00 H new ATOM 320 N CYS A 29 3.046 2.802 -7.087 1.00 0.00 N ATOM 321 CA CYS A 29 4.505 2.645 -7.193 1.00 0.00 C ATOM 322 C CYS A 29 5.251 3.941 -7.604 1.00 0.00 C ATOM 323 O CYS A 29 6.325 4.230 -7.091 1.00 0.00 O ATOM 324 CB CYS A 29 4.796 1.558 -8.206 1.00 0.00 C ATOM 325 SG CYS A 29 3.921 0.004 -7.895 1.00 0.00 S ATOM 0 H CYS A 29 2.530 2.070 -7.575 1.00 0.00 H new ATOM 0 HA CYS A 29 4.872 2.386 -6.200 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.529 1.920 -9.199 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.868 1.363 -8.216 1.00 0.00 H new ATOM 0 HG CYS A 29 2.975 -0.145 -8.774 1.00 0.00 H new ATOM 331 N GLU A 30 4.670 4.723 -8.496 1.00 0.00 N ATOM 332 CA GLU A 30 5.344 5.923 -8.973 1.00 0.00 C ATOM 333 C GLU A 30 5.285 7.095 -7.981 1.00 0.00 C ATOM 334 O GLU A 30 5.991 8.094 -8.153 1.00 0.00 O ATOM 335 CB GLU A 30 4.868 6.332 -10.366 1.00 0.00 C ATOM 336 CG GLU A 30 5.916 6.123 -11.470 1.00 0.00 C ATOM 337 CD GLU A 30 6.404 4.689 -11.598 1.00 0.00 C ATOM 338 OE1 GLU A 30 5.662 3.861 -12.185 1.00 0.00 O1- ATOM 339 OE2 GLU A 30 7.534 4.382 -11.133 1.00 0.00 O ATOM 0 H GLU A 30 3.749 4.556 -8.901 1.00 0.00 H new ATOM 0 HA GLU A 30 6.398 5.655 -9.052 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.974 5.761 -10.615 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.580 7.383 -10.347 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.492 6.438 -12.423 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.771 6.770 -11.272 1.00 0.00 H new ATOM 346 N LYS A 31 4.450 7.009 -6.950 1.00 0.00 N ATOM 347 CA LYS A 31 4.473 8.063 -5.953 1.00 0.00 C ATOM 348 C LYS A 31 5.116 7.655 -4.666 1.00 0.00 C ATOM 349 O LYS A 31 5.696 8.495 -3.975 1.00 0.00 O ATOM 350 CB LYS A 31 3.155 8.822 -5.707 1.00 0.00 C ATOM 351 CG LYS A 31 2.767 9.848 -6.769 1.00 0.00 C ATOM 352 CD LYS A 31 3.956 10.691 -7.286 1.00 0.00 C ATOM 353 CE LYS A 31 4.870 11.334 -6.198 1.00 0.00 C ATOM 354 NZ LYS A 31 4.142 12.105 -5.169 1.00 0.00 N1+ ATOM 0 H LYS A 31 3.780 6.257 -6.789 1.00 0.00 H new ATOM 0 HA LYS A 31 5.114 8.799 -6.437 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.349 8.093 -5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.226 9.332 -4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.308 9.330 -7.611 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.012 10.517 -6.356 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.574 10.057 -7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.562 11.488 -7.917 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.441 10.545 -5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.589 11.992 -6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.620 13.015 -5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.167 12.276 -5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.126 11.567 -4.279 1.00 0.00 H new ATOM 368 N ILE A 32 5.020 6.408 -4.328 1.00 0.00 N ATOM 369 CA ILE A 32 5.735 5.915 -3.192 1.00 0.00 C ATOM 370 C ILE A 32 6.849 5.070 -3.714 1.00 0.00 C ATOM 371 O ILE A 32 6.653 3.915 -4.102 1.00 0.00 O ATOM 372 CB ILE A 32 4.836 5.107 -2.185 1.00 0.00 C ATOM 373 CG1 ILE A 32 5.694 4.461 -1.069 1.00 0.00 C ATOM 374 CG2 ILE A 32 3.983 4.054 -2.887 1.00 0.00 C ATOM 375 CD1 ILE A 32 4.886 3.658 -0.080 1.00 0.00 C ATOM 0 H ILE A 32 4.456 5.714 -4.819 1.00 0.00 H new ATOM 0 HA ILE A 32 6.108 6.759 -2.613 1.00 0.00 H new ATOM 0 HB ILE A 32 4.153 5.823 -1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.443 3.814 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.232 5.244 -0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.381 3.523 -2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.327 4.540 -3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.631 3.346 -3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.550 3.234 0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.155 4.306 0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.368 2.853 -0.602 1.00 0.00 H new ATOM 387 N ILE A 33 8.023 5.614 -3.789 1.00 0.00 N ATOM 388 CA ILE A 33 9.017 4.802 -4.334 1.00 0.00 C ATOM 389 C ILE A 33 9.756 4.162 -3.182 1.00 0.00 C ATOM 390 O ILE A 33 10.378 4.839 -2.360 1.00 0.00 O ATOM 391 CB ILE A 33 9.994 5.641 -5.211 1.00 0.00 C ATOM 392 CG1 ILE A 33 9.202 6.644 -6.079 1.00 0.00 C ATOM 393 CG2 ILE A 33 10.767 4.711 -6.125 1.00 0.00 C ATOM 394 CD1 ILE A 33 10.067 7.558 -6.930 1.00 0.00 C ATOM 0 H ILE A 33 8.289 6.554 -3.497 1.00 0.00 H new ATOM 0 HA ILE A 33 8.577 4.041 -4.978 1.00 0.00 H new ATOM 0 HB ILE A 33 10.676 6.186 -4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.530 6.088 -6.733 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.579 7.257 -5.427 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.452 5.293 -6.741 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.334 3.999 -5.525 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.071 4.171 -6.767 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.430 8.229 -7.507 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.721 8.144 -6.285 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.671 6.958 -7.610 1.00 0.00 H new ATOM 406 N ALA A 34 9.747 2.856 -3.182 1.00 0.00 N ATOM 407 CA ALA A 34 10.410 2.062 -2.175 1.00 0.00 C ATOM 408 C ALA A 34 11.851 1.859 -2.492 1.00 0.00 C ATOM 409 O ALA A 34 12.559 1.253 -1.773 1.00 0.00 O ATOM 410 CB ALA A 34 9.755 0.743 -2.018 1.00 0.00 C ATOM 0 H ALA A 34 9.271 2.301 -3.893 1.00 0.00 H new ATOM 0 HA ALA A 34 10.333 2.616 -1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.276 0.167 -1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.716 0.886 -1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.790 0.204 -2.965 1.00 0.00 H new ATOM 416 N GLU A 35 12.242 2.347 -3.588 1.00 0.00 N ATOM 417 CA GLU A 35 13.555 2.137 -4.161 1.00 0.00 C ATOM 418 C GLU A 35 14.714 2.566 -3.165 1.00 0.00 C ATOM 419 O GLU A 35 15.780 1.958 -3.113 1.00 0.00 O ATOM 420 CB GLU A 35 13.521 2.925 -5.442 1.00 0.00 C ATOM 421 CG GLU A 35 14.723 2.915 -6.352 1.00 0.00 C ATOM 422 CD GLU A 35 14.480 3.870 -7.512 1.00 0.00 C ATOM 423 OE1 GLU A 35 14.585 5.110 -7.304 1.00 0.00 O1- ATOM 424 OE2 GLU A 35 14.096 3.425 -8.591 1.00 0.00 O ATOM 0 H GLU A 35 11.646 2.940 -4.165 1.00 0.00 H new ATOM 0 HA GLU A 35 13.778 1.087 -4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.669 2.569 -6.022 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.317 3.964 -5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.614 3.213 -5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.902 1.907 -6.726 1.00 0.00 H new ATOM 431 N ARG A 36 14.395 3.544 -2.335 1.00 0.00 N ATOM 432 CA ARG A 36 15.253 4.146 -1.286 1.00 0.00 C ATOM 433 C ARG A 36 15.134 3.453 0.095 1.00 0.00 C ATOM 434 O ARG A 36 15.818 3.789 1.034 1.00 0.00 O ATOM 435 CB ARG A 36 15.068 5.660 -1.239 1.00 0.00 C ATOM 436 CG ARG A 36 16.059 6.370 -2.154 1.00 0.00 C ATOM 437 CD ARG A 36 15.551 7.711 -2.667 1.00 0.00 C ATOM 438 NE ARG A 36 14.401 7.540 -3.584 1.00 0.00 N ATOM 439 CZ ARG A 36 14.466 6.944 -4.809 1.00 0.00 C ATOM 440 NH1 ARG A 36 15.619 6.502 -5.301 1.00 0.00 N1+ ATOM 441 NH2 ARG A 36 13.381 6.810 -5.550 1.00 0.00 N ATOM 0 H ARG A 36 13.473 3.979 -2.364 1.00 0.00 H new ATOM 0 HA ARG A 36 16.288 3.961 -1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.050 5.913 -1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.198 6.012 -0.216 1.00 0.00 H new ATOM 0 HG2 ARG A 36 16.994 6.525 -1.615 1.00 0.00 H new ATOM 0 HG3 ARG A 36 16.284 5.726 -3.004 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.256 8.336 -1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 36 16.356 8.233 -3.184 1.00 0.00 H new ATOM 0 HE ARG A 36 13.495 7.894 -3.277 1.00 0.00 H new ATOM 0 HH11 ARG A 36 16.478 6.606 -4.760 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.645 6.059 -6.219 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.484 7.154 -5.207 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.440 6.363 -6.465 1.00 0.00 H new ATOM 455 N HIS A 37 14.223 2.519 0.160 1.00 0.00 N ATOM 456 CA HIS A 37 13.719 1.790 1.377 1.00 0.00 C ATOM 457 C HIS A 37 14.730 1.275 2.426 1.00 0.00 C ATOM 458 O HIS A 37 14.294 0.943 3.509 1.00 0.00 O ATOM 459 CB HIS A 37 13.063 0.478 0.889 1.00 0.00 C ATOM 460 CG HIS A 37 14.062 -0.511 0.254 1.00 0.00 C ATOM 461 ND1 HIS A 37 14.324 -1.773 0.744 1.00 0.00 N ATOM 462 CD2 HIS A 37 14.893 -0.360 -0.809 1.00 0.00 C ATOM 463 CE1 HIS A 37 15.269 -2.329 0.012 1.00 0.00 C ATOM 464 NE2 HIS A 37 15.622 -1.490 -0.928 1.00 0.00 N ATOM 0 H HIS A 37 13.753 2.195 -0.685 1.00 0.00 H new ATOM 0 HA HIS A 37 13.105 2.549 1.861 1.00 0.00 H new ATOM 0 HB2 HIS A 37 12.569 -0.007 1.731 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.288 0.718 0.160 1.00 0.00 H new ATOM 0 HD1 HIS A 37 13.862 -2.206 1.543 1.00 0.00 H new ATOM 0 HD2 HIS A 37 14.959 0.510 -1.446 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.684 -3.315 0.163 1.00 0.00 H new ATOM 473 N PHE A 38 16.004 1.168 2.150 1.00 0.00 N ATOM 474 CA PHE A 38 16.817 0.373 3.068 1.00 0.00 C ATOM 475 C PHE A 38 16.991 1.025 4.438 1.00 0.00 C ATOM 476 O PHE A 38 16.857 0.362 5.464 1.00 0.00 O ATOM 477 CB PHE A 38 18.123 -0.110 2.454 1.00 0.00 C ATOM 478 CG PHE A 38 18.743 -1.231 3.248 1.00 0.00 C ATOM 479 CD1 PHE A 38 18.024 -2.414 3.491 1.00 0.00 C ATOM 480 CD2 PHE A 38 20.022 -1.113 3.765 1.00 0.00 C ATOM 481 CE1 PHE A 38 18.586 -3.437 4.228 1.00 0.00 C ATOM 482 CE2 PHE A 38 20.582 -2.138 4.503 1.00 0.00 C ATOM 483 CZ PHE A 38 19.865 -3.301 4.733 1.00 0.00 C ATOM 0 H PHE A 38 16.488 1.586 1.355 1.00 0.00 H new ATOM 0 HA PHE A 38 16.241 -0.533 3.255 1.00 0.00 H new ATOM 0 HB2 PHE A 38 17.940 -0.447 1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 38 18.824 0.722 2.394 1.00 0.00 H new ATOM 0 HD1 PHE A 38 17.024 -2.524 3.098 1.00 0.00 H new ATOM 0 HD2 PHE A 38 20.588 -0.210 3.590 1.00 0.00 H new ATOM 0 HE1 PHE A 38 18.027 -4.343 4.410 1.00 0.00 H new ATOM 0 HE2 PHE A 38 21.580 -2.032 4.901 1.00 0.00 H new ATOM 0 HZ PHE A 38 20.306 -4.102 5.308 1.00 0.00 H new ATOM 493 N ASP A 39 17.219 2.298 4.451 1.00 0.00 N ATOM 494 CA ASP A 39 17.295 3.042 5.695 1.00 0.00 C ATOM 495 C ASP A 39 15.884 3.545 6.036 1.00 0.00 C ATOM 496 O ASP A 39 15.406 3.433 7.168 1.00 0.00 O ATOM 497 CB ASP A 39 18.275 4.235 5.538 1.00 0.00 C ATOM 498 CG ASP A 39 17.792 5.264 4.527 1.00 0.00 C ATOM 499 OD1 ASP A 39 17.421 4.860 3.372 1.00 0.00 O ATOM 500 OD2 ASP A 39 17.699 6.449 4.861 1.00 0.00 O1- ATOM 0 H ASP A 39 17.359 2.861 3.612 1.00 0.00 H new ATOM 0 HA ASP A 39 17.665 2.405 6.498 1.00 0.00 H new ATOM 0 HB2 ASP A 39 18.410 4.718 6.506 1.00 0.00 H new ATOM 0 HB3 ASP A 39 19.251 3.860 5.230 1.00 0.00 H new ATOM 505 N HIS A 40 15.190 3.984 4.997 1.00 0.00 N ATOM 506 CA HIS A 40 13.872 4.600 5.092 1.00 0.00 C ATOM 507 C HIS A 40 12.765 3.659 5.560 1.00 0.00 C ATOM 508 O HIS A 40 11.736 4.108 6.024 1.00 0.00 O ATOM 509 CB HIS A 40 13.493 5.295 3.774 1.00 0.00 C ATOM 510 CG HIS A 40 14.255 6.572 3.513 1.00 0.00 C ATOM 511 ND1 HIS A 40 15.509 6.618 2.953 1.00 0.00 N ATOM 512 CD2 HIS A 40 13.919 7.860 3.754 1.00 0.00 C ATOM 513 CE1 HIS A 40 15.905 7.862 2.849 1.00 0.00 C ATOM 514 NE2 HIS A 40 14.963 8.647 3.332 1.00 0.00 N ATOM 0 H HIS A 40 15.535 3.921 4.039 1.00 0.00 H new ATOM 0 HA HIS A 40 13.958 5.350 5.879 1.00 0.00 H new ATOM 0 HB2 HIS A 40 13.666 4.605 2.948 1.00 0.00 H new ATOM 0 HB3 HIS A 40 12.426 5.516 3.786 1.00 0.00 H new ATOM 0 HD1 HIS A 40 16.051 5.804 2.662 1.00 0.00 H new ATOM 0 HD2 HIS A 40 12.997 8.207 4.198 1.00 0.00 H new ATOM 0 HE1 HIS A 40 16.847 8.190 2.436 1.00 0.00 H new ATOM 523 N LEU A 41 12.941 2.373 5.419 1.00 0.00 N ATOM 524 CA LEU A 41 11.940 1.449 5.919 1.00 0.00 C ATOM 525 C LEU A 41 12.197 1.018 7.321 1.00 0.00 C ATOM 526 O LEU A 41 11.345 0.410 7.960 1.00 0.00 O ATOM 527 CB LEU A 41 11.651 0.292 5.011 1.00 0.00 C ATOM 528 CG LEU A 41 10.987 0.659 3.698 1.00 0.00 C ATOM 529 CD1 LEU A 41 10.688 -0.579 2.946 1.00 0.00 C ATOM 530 CD2 LEU A 41 9.704 1.448 3.928 1.00 0.00 C ATOM 0 H LEU A 41 13.749 1.940 4.972 1.00 0.00 H new ATOM 0 HA LEU A 41 11.020 2.033 5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.587 -0.224 4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.011 -0.415 5.540 1.00 0.00 H new ATOM 0 HG LEU A 41 11.668 1.290 3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.210 -0.324 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.615 -1.119 2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.019 -1.208 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.252 1.696 2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.007 0.847 4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.933 2.366 4.469 1.00 0.00 H new ATOM 542 N ARG A 42 13.385 1.294 7.816 1.00 0.00 N ATOM 543 CA ARG A 42 13.692 1.040 9.219 1.00 0.00 C ATOM 544 C ARG A 42 13.009 2.108 10.072 1.00 0.00 C ATOM 545 O ARG A 42 12.950 2.032 11.305 1.00 0.00 O ATOM 546 CB ARG A 42 15.206 0.951 9.464 1.00 0.00 C ATOM 547 CG ARG A 42 15.847 -0.458 9.286 1.00 0.00 C ATOM 548 CD ARG A 42 15.620 -1.135 7.908 1.00 0.00 C ATOM 549 NE ARG A 42 14.215 -1.566 7.681 1.00 0.00 N ATOM 550 CZ ARG A 42 13.836 -2.738 7.134 1.00 0.00 C ATOM 551 NH1 ARG A 42 14.745 -3.638 6.761 1.00 0.00 N1+ ATOM 552 NH2 ARG A 42 12.533 -3.000 6.953 1.00 0.00 N ATOM 0 H ARG A 42 14.154 1.692 7.277 1.00 0.00 H new ATOM 0 HA ARG A 42 13.300 0.066 9.511 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.705 1.643 8.785 1.00 0.00 H new ATOM 0 HB3 ARG A 42 15.410 1.295 10.478 1.00 0.00 H new ATOM 0 HG2 ARG A 42 16.920 -0.372 9.455 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.454 -1.115 10.062 1.00 0.00 H new ATOM 0 HD2 ARG A 42 15.910 -0.441 7.119 1.00 0.00 H new ATOM 0 HD3 ARG A 42 16.275 -2.002 7.826 1.00 0.00 H new ATOM 0 HE ARG A 42 13.477 -0.921 7.963 1.00 0.00 H new ATOM 0 HH11 ARG A 42 15.738 -3.443 6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 42 14.448 -4.522 6.348 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.831 -2.313 7.229 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.244 -3.886 6.539 1.00 0.00 H new ATOM 566 N ALA A 43 12.471 3.084 9.375 1.00 0.00 N ATOM 567 CA ALA A 43 11.651 4.104 9.938 1.00 0.00 C ATOM 568 C ALA A 43 10.333 3.486 10.403 1.00 0.00 C ATOM 569 O ALA A 43 9.964 3.588 11.572 1.00 0.00 O ATOM 570 CB ALA A 43 11.356 5.108 8.847 1.00 0.00 C ATOM 0 H ALA A 43 12.604 3.182 8.368 1.00 0.00 H new ATOM 0 HA ALA A 43 12.152 4.578 10.782 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.728 5.905 9.246 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.291 5.532 8.480 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.836 4.612 8.027 1.00 0.00 H new ATOM 576 N LYS A 44 9.684 2.747 9.511 1.00 0.00 N ATOM 577 CA LYS A 44 8.368 2.197 9.813 1.00 0.00 C ATOM 578 C LYS A 44 8.433 0.780 10.329 1.00 0.00 C ATOM 579 O LYS A 44 7.555 0.370 11.046 1.00 0.00 O ATOM 580 CB LYS A 44 7.487 2.260 8.571 1.00 0.00 C ATOM 581 CG LYS A 44 7.086 3.668 8.177 1.00 0.00 C ATOM 582 CD LYS A 44 6.364 3.687 6.845 1.00 0.00 C ATOM 583 CE LYS A 44 5.768 5.051 6.564 1.00 0.00 C ATOM 584 NZ LYS A 44 4.672 5.381 7.516 1.00 0.00 N1+ ATOM 0 H LYS A 44 10.042 2.517 8.584 1.00 0.00 H new ATOM 0 HA LYS A 44 7.938 2.805 10.609 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.015 1.796 7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.587 1.671 8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.442 4.093 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.974 4.298 8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.058 3.419 6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.575 2.935 6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.548 5.809 6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.384 5.077 5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.358 6.360 7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.873 4.732 7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.018 5.282 8.492 1.00 0.00 H new ATOM 598 N LYS A 45 9.521 0.072 10.005 1.00 0.00 N ATOM 599 CA LYS A 45 9.772 -1.297 10.496 1.00 0.00 C ATOM 600 C LYS A 45 8.572 -2.241 10.331 1.00 0.00 C ATOM 601 O LYS A 45 8.194 -2.895 11.284 1.00 0.00 O ATOM 602 CB LYS A 45 10.218 -1.252 11.962 1.00 0.00 C ATOM 603 CG LYS A 45 11.571 -0.602 12.167 1.00 0.00 C ATOM 604 CD LYS A 45 11.888 -0.371 13.640 1.00 0.00 C ATOM 605 CE LYS A 45 10.960 0.675 14.270 1.00 0.00 C ATOM 606 NZ LYS A 45 11.052 1.999 13.580 1.00 0.00 N1+ ATOM 0 H LYS A 45 10.256 0.428 9.394 1.00 0.00 H new ATOM 0 HA LYS A 45 10.567 -1.709 9.875 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.472 -0.709 12.543 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.250 -2.268 12.354 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.344 -1.232 11.726 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.597 0.351 11.639 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.795 -1.312 14.183 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.923 -0.045 13.741 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.931 0.317 14.230 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.214 0.797 15.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.145 2.754 14.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.883 2.007 12.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.192 2.157 13.016 1.00 0.00 H new ATOM 620 N ILE A 46 7.989 -2.292 9.114 1.00 0.00 N ATOM 621 CA ILE A 46 6.854 -3.203 8.846 1.00 0.00 C ATOM 622 C ILE A 46 7.297 -4.618 9.151 1.00 0.00 C ATOM 623 O ILE A 46 6.881 -5.248 10.113 1.00 0.00 O ATOM 624 CB ILE A 46 6.358 -3.275 7.334 1.00 0.00 C ATOM 625 CG1 ILE A 46 6.596 -2.000 6.522 1.00 0.00 C ATOM 626 CG2 ILE A 46 4.883 -3.680 7.266 1.00 0.00 C ATOM 627 CD1 ILE A 46 8.030 -1.856 6.021 1.00 0.00 C ATOM 0 H ILE A 46 8.277 -1.726 8.316 1.00 0.00 H new ATOM 0 HA ILE A 46 6.044 -2.809 9.459 1.00 0.00 H new ATOM 0 HB ILE A 46 6.977 -4.041 6.867 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.919 -1.991 5.668 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.346 -1.135 7.137 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.565 -3.723 6.224 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.753 -4.660 7.726 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.279 -2.946 7.800 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.126 -0.930 5.454 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.712 -1.833 6.871 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.278 -2.702 5.380 1.00 0.00 H new ATOM 639 N LEU A 47 8.125 -5.093 8.258 1.00 0.00 N ATOM 640 CA LEU A 47 8.701 -6.382 8.271 1.00 0.00 C ATOM 641 C LEU A 47 9.726 -6.423 7.179 1.00 0.00 C ATOM 642 O LEU A 47 9.667 -5.592 6.268 1.00 0.00 O ATOM 643 CB LEU A 47 7.602 -7.482 8.055 1.00 0.00 C ATOM 644 CG LEU A 47 6.439 -7.162 7.057 1.00 0.00 C ATOM 645 CD1 LEU A 47 6.918 -6.920 5.637 1.00 0.00 C ATOM 646 CD2 LEU A 47 5.393 -8.254 7.080 1.00 0.00 C ATOM 0 H LEU A 47 8.425 -4.540 7.455 1.00 0.00 H new ATOM 0 HA LEU A 47 9.168 -6.586 9.235 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.099 -8.389 7.712 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.159 -7.709 9.025 1.00 0.00 H new ATOM 0 HG LEU A 47 5.993 -6.229 7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.063 -6.704 4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.604 -6.073 5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.431 -7.809 5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.596 -8.009 6.379 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.850 -9.201 6.794 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.979 -8.340 8.085 1.00 0.00 H new ATOM 658 N SER A 48 10.722 -7.230 7.306 1.00 0.00 N ATOM 659 CA SER A 48 11.453 -7.577 6.136 1.00 0.00 C ATOM 660 C SER A 48 11.124 -9.017 5.986 1.00 0.00 C ATOM 661 O SER A 48 11.326 -9.742 6.957 1.00 0.00 O ATOM 662 CB SER A 48 12.953 -7.390 6.407 1.00 0.00 C ATOM 663 OG SER A 48 13.215 -6.057 6.868 1.00 0.00 O ATOM 0 H SER A 48 11.042 -7.651 8.178 1.00 0.00 H new ATOM 0 HA SER A 48 11.216 -6.983 5.253 1.00 0.00 H new ATOM 0 HB2 SER A 48 13.287 -8.112 7.152 1.00 0.00 H new ATOM 0 HB3 SER A 48 13.521 -7.585 5.497 1.00 0.00 H new ATOM 0 HG SER A 48 13.992 -6.064 7.466 1.00 0.00 H new ATOM 669 N ARG A 49 10.554 -9.484 4.873 1.00 0.00 N ATOM 670 CA ARG A 49 10.361 -10.896 4.908 1.00 0.00 C ATOM 671 C ARG A 49 11.575 -11.623 4.354 1.00 0.00 C ATOM 672 O ARG A 49 12.465 -12.050 5.076 1.00 0.00 O ATOM 673 CB ARG A 49 9.089 -11.334 4.201 1.00 0.00 C ATOM 674 CG ARG A 49 7.970 -10.325 4.191 1.00 0.00 C ATOM 675 CD ARG A 49 6.778 -10.883 3.459 1.00 0.00 C ATOM 676 NE ARG A 49 7.078 -11.295 2.077 1.00 0.00 N ATOM 677 CZ ARG A 49 6.151 -11.515 1.143 1.00 0.00 C ATOM 678 NH1 ARG A 49 4.940 -11.006 1.276 1.00 0.00 N1+ ATOM 679 NH2 ARG A 49 6.477 -12.168 0.046 1.00 0.00 N ATOM 0 H ARG A 49 10.257 -8.968 4.044 1.00 0.00 H new ATOM 0 HA ARG A 49 10.242 -11.171 5.956 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.336 -11.586 3.170 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.727 -12.247 4.674 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.692 -10.069 5.213 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.304 -9.405 3.711 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.392 -11.741 4.010 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.988 -10.133 3.443 1.00 0.00 H new ATOM 0 HE ARG A 49 8.057 -11.420 1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.711 -10.443 2.095 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.234 -11.176 0.560 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.432 -12.501 -0.084 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.774 -12.340 -0.673 1.00 0.00 H new ATOM 693 N GLU A 50 11.599 -11.694 3.037 1.00 0.00 N ATOM 694 CA GLU A 50 12.699 -12.110 2.240 1.00 0.00 C ATOM 695 C GLU A 50 13.435 -10.915 1.615 1.00 0.00 C ATOM 696 O GLU A 50 14.512 -10.520 2.011 1.00 0.00 O ATOM 697 CB GLU A 50 12.292 -13.232 1.199 1.00 0.00 C ATOM 698 CG GLU A 50 11.299 -12.854 0.066 1.00 0.00 C ATOM 699 CD GLU A 50 9.976 -12.293 0.548 1.00 0.00 C ATOM 700 OE1 GLU A 50 9.952 -11.135 1.041 1.00 0.00 O1- ATOM 701 OE2 GLU A 50 8.966 -12.978 0.468 1.00 0.00 O ATOM 0 H GLU A 50 10.787 -11.442 2.473 1.00 0.00 H new ATOM 0 HA GLU A 50 13.424 -12.586 2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 50 13.205 -13.601 0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.861 -14.063 1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.774 -12.121 -0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.104 -13.739 -0.539 1.00 0.00 H new ATOM 708 N ASP A 51 12.681 -10.301 0.702 1.00 0.00 N ATOM 709 CA ASP A 51 13.107 -9.359 -0.342 1.00 0.00 C ATOM 710 C ASP A 51 13.317 -7.939 0.146 1.00 0.00 C ATOM 711 O ASP A 51 14.065 -7.191 -0.464 1.00 0.00 O ATOM 712 CB ASP A 51 12.000 -9.405 -1.434 1.00 0.00 C ATOM 713 CG ASP A 51 12.243 -8.603 -2.700 1.00 0.00 C ATOM 714 OD1 ASP A 51 12.837 -9.140 -3.674 1.00 0.00 O1- ATOM 715 OD2 ASP A 51 11.756 -7.487 -2.815 1.00 0.00 O ATOM 0 H ASP A 51 11.674 -10.461 0.668 1.00 0.00 H new ATOM 0 HA ASP A 51 14.085 -9.660 -0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.848 -10.446 -1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.069 -9.057 -0.987 1.00 0.00 H new ATOM 720 N THR A 52 12.711 -7.599 1.276 1.00 0.00 N ATOM 721 CA THR A 52 12.692 -6.229 1.847 1.00 0.00 C ATOM 722 C THR A 52 14.106 -5.573 1.963 1.00 0.00 C ATOM 723 O THR A 52 14.229 -4.341 2.034 1.00 0.00 O ATOM 724 CB THR A 52 12.027 -6.303 3.231 1.00 0.00 C ATOM 725 OG1 THR A 52 10.841 -7.121 3.124 1.00 0.00 O ATOM 726 CG2 THR A 52 11.644 -4.909 3.814 1.00 0.00 C ATOM 0 H THR A 52 12.202 -8.274 1.847 1.00 0.00 H new ATOM 0 HA THR A 52 12.131 -5.591 1.164 1.00 0.00 H new ATOM 0 HB THR A 52 12.754 -6.734 3.919 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.157 -6.640 2.614 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.180 -5.039 4.792 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.541 -4.298 3.916 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.943 -4.414 3.142 1.00 0.00 H new ATOM 734 N ARG A 53 15.137 -6.387 2.000 1.00 0.00 N ATOM 735 CA ARG A 53 16.514 -5.919 2.092 1.00 0.00 C ATOM 736 C ARG A 53 17.028 -5.516 0.696 1.00 0.00 C ATOM 737 O ARG A 53 17.428 -4.377 0.446 1.00 0.00 O ATOM 738 CB ARG A 53 17.391 -7.061 2.592 1.00 0.00 C ATOM 739 CG ARG A 53 16.881 -7.763 3.832 1.00 0.00 C ATOM 740 CD ARG A 53 17.578 -9.103 4.006 1.00 0.00 C ATOM 741 NE ARG A 53 17.344 -9.989 2.848 1.00 0.00 N ATOM 742 CZ ARG A 53 17.513 -11.312 2.823 1.00 0.00 C ATOM 743 NH1 ARG A 53 17.892 -11.971 3.929 1.00 0.00 N1+ ATOM 744 NH2 ARG A 53 17.287 -11.976 1.697 1.00 0.00 N ATOM 0 H ARG A 53 15.049 -7.403 1.967 1.00 0.00 H new ATOM 0 HA ARG A 53 16.552 -5.065 2.768 1.00 0.00 H new ATOM 0 HB2 ARG A 53 17.495 -7.796 1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 53 18.388 -6.671 2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 53 17.055 -7.139 4.709 1.00 0.00 H new ATOM 0 HG3 ARG A 53 15.804 -7.913 3.756 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.649 -8.944 4.133 1.00 0.00 H new ATOM 0 HD3 ARG A 53 17.218 -9.586 4.914 1.00 0.00 H new ATOM 0 HE ARG A 53 17.023 -9.548 1.986 1.00 0.00 H new ATOM 0 HH11 ARG A 53 18.053 -11.460 4.797 1.00 0.00 H new ATOM 0 HH12 ARG A 53 18.019 -12.983 3.902 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.987 -11.475 0.861 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.413 -12.988 1.667 1.00 0.00 H new ATOM 758 N GLU A 54 16.960 -6.474 -0.183 1.00 0.00 N ATOM 759 CA GLU A 54 17.557 -6.468 -1.498 1.00 0.00 C ATOM 760 C GLU A 54 16.745 -5.817 -2.642 1.00 0.00 C ATOM 761 O GLU A 54 17.323 -5.614 -3.707 1.00 0.00 O ATOM 762 CB GLU A 54 18.038 -7.866 -1.918 1.00 0.00 C ATOM 763 CG GLU A 54 16.953 -8.925 -1.963 1.00 0.00 C ATOM 764 CD GLU A 54 16.733 -9.686 -0.663 1.00 0.00 C ATOM 765 OE1 GLU A 54 16.546 -9.060 0.397 1.00 0.00 O1- ATOM 766 OE2 GLU A 54 16.755 -10.951 -0.698 1.00 0.00 O ATOM 0 H GLU A 54 16.454 -7.339 0.007 1.00 0.00 H new ATOM 0 HA GLU A 54 18.406 -5.799 -1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.498 -7.796 -2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 54 18.815 -8.191 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.015 -8.449 -2.249 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.199 -9.641 -2.747 1.00 0.00 H new ATOM 773 N ILE A 55 15.413 -5.556 -2.449 1.00 0.00 N ATOM 774 CA ILE A 55 14.429 -5.143 -3.557 1.00 0.00 C ATOM 775 C ILE A 55 15.038 -4.282 -4.697 1.00 0.00 C ATOM 776 O ILE A 55 14.700 -4.489 -5.858 1.00 0.00 O ATOM 777 CB ILE A 55 13.119 -4.375 -3.037 1.00 0.00 C ATOM 778 CG1 ILE A 55 13.312 -2.853 -2.915 1.00 0.00 C ATOM 779 CG2 ILE A 55 12.673 -4.897 -1.710 1.00 0.00 C ATOM 780 CD1 ILE A 55 12.062 -2.099 -2.479 1.00 0.00 C ATOM 0 H ILE A 55 14.973 -5.620 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 55 14.153 -6.120 -3.953 1.00 0.00 H new ATOM 0 HB ILE A 55 12.360 -4.565 -3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.110 -2.655 -2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 55 13.642 -2.461 -3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.784 -4.356 -1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.440 -5.958 -1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.469 -4.758 -0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.283 -1.033 -2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.266 -2.263 -3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.742 -2.460 -1.502 1.00 0.00 H new ATOM 792 N SER A 56 15.967 -3.390 -4.363 1.00 0.00 N ATOM 793 CA SER A 56 16.575 -2.470 -5.306 1.00 0.00 C ATOM 794 C SER A 56 17.384 -3.208 -6.409 1.00 0.00 C ATOM 795 O SER A 56 17.566 -2.687 -7.502 1.00 0.00 O ATOM 796 CB SER A 56 17.480 -1.514 -4.525 1.00 0.00 C ATOM 797 OG SER A 56 16.769 -0.944 -3.415 1.00 0.00 O ATOM 0 H SER A 56 16.321 -3.289 -3.412 1.00 0.00 H new ATOM 0 HA SER A 56 15.787 -1.919 -5.819 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.360 -2.048 -4.166 1.00 0.00 H new ATOM 0 HB3 SER A 56 17.835 -0.721 -5.183 1.00 0.00 H new ATOM 0 HG SER A 56 16.761 -1.581 -2.670 1.00 0.00 H new ATOM 803 N CYS A 57 17.835 -4.416 -6.119 1.00 0.00 N ATOM 804 CA CYS A 57 18.610 -5.195 -7.075 1.00 0.00 C ATOM 805 C CYS A 57 17.681 -5.993 -7.997 1.00 0.00 C ATOM 806 O CYS A 57 18.039 -6.340 -9.109 1.00 0.00 O ATOM 807 CB CYS A 57 19.567 -6.138 -6.327 1.00 0.00 C ATOM 808 SG CYS A 57 20.602 -7.169 -7.390 1.00 0.00 S ATOM 0 H CYS A 57 17.678 -4.882 -5.226 1.00 0.00 H new ATOM 0 HA CYS A 57 19.197 -4.514 -7.691 1.00 0.00 H new ATOM 0 HB2 CYS A 57 20.213 -5.541 -5.684 1.00 0.00 H new ATOM 0 HB3 CYS A 57 18.980 -6.786 -5.676 1.00 0.00 H new ATOM 0 HG CYS A 57 20.016 -7.334 -8.539 1.00 0.00 H new ATOM 814 N ARG A 58 16.490 -6.273 -7.510 1.00 0.00 N ATOM 815 CA ARG A 58 15.488 -7.040 -8.250 1.00 0.00 C ATOM 816 C ARG A 58 14.563 -6.127 -9.060 1.00 0.00 C ATOM 817 O ARG A 58 13.519 -6.560 -9.549 1.00 0.00 O ATOM 818 CB ARG A 58 14.716 -7.991 -7.324 1.00 0.00 C ATOM 819 CG ARG A 58 15.613 -9.064 -6.707 1.00 0.00 C ATOM 820 CD ARG A 58 14.843 -10.033 -5.826 1.00 0.00 C ATOM 821 NE ARG A 58 15.742 -11.005 -5.180 1.00 0.00 N ATOM 822 CZ ARG A 58 15.706 -11.321 -3.869 1.00 0.00 C ATOM 823 NH1 ARG A 58 14.726 -10.880 -3.100 1.00 0.00 N1+ ATOM 824 NH2 ARG A 58 16.652 -12.083 -3.332 1.00 0.00 N ATOM 0 H ARG A 58 16.180 -5.977 -6.585 1.00 0.00 H new ATOM 0 HA ARG A 58 16.013 -7.664 -8.973 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.244 -7.415 -6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 58 13.916 -8.471 -7.887 1.00 0.00 H new ATOM 0 HG2 ARG A 58 16.110 -9.619 -7.503 1.00 0.00 H new ATOM 0 HG3 ARG A 58 16.394 -8.584 -6.117 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.297 -9.478 -5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 58 14.103 -10.563 -6.426 1.00 0.00 H new ATOM 0 HE ARG A 58 16.438 -11.470 -5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.990 -10.296 -3.497 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.706 -11.123 -2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 58 17.414 -12.434 -3.912 1.00 0.00 H new ATOM 0 HH22 ARG A 58 16.617 -12.317 -2.340 1.00 0.00 H new ATOM 838 N THR A 59 14.940 -4.866 -9.117 1.00 0.00 N ATOM 839 CA THR A 59 14.224 -3.809 -9.803 1.00 0.00 C ATOM 840 C THR A 59 13.709 -4.155 -11.212 1.00 0.00 C ATOM 841 O THR A 59 14.449 -4.546 -12.107 1.00 0.00 O ATOM 842 CB THR A 59 15.085 -2.521 -9.849 1.00 0.00 C ATOM 843 OG1 THR A 59 15.180 -1.963 -8.539 1.00 0.00 O ATOM 844 CG2 THR A 59 14.549 -1.484 -10.848 1.00 0.00 C ATOM 0 H THR A 59 15.793 -4.535 -8.666 1.00 0.00 H new ATOM 0 HA THR A 59 13.323 -3.654 -9.209 1.00 0.00 H new ATOM 0 HB THR A 59 16.078 -2.800 -10.202 1.00 0.00 H new ATOM 0 HG1 THR A 59 16.069 -2.145 -8.170 1.00 0.00 H new ATOM 0 HG21 THR A 59 15.191 -0.603 -10.838 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.539 -1.914 -11.849 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.536 -1.198 -10.567 1.00 0.00 H new ATOM 852 N SER A 60 12.423 -4.022 -11.343 1.00 0.00 N ATOM 853 CA SER A 60 11.743 -4.070 -12.585 1.00 0.00 C ATOM 854 C SER A 60 11.083 -2.691 -12.687 1.00 0.00 C ATOM 855 O SER A 60 10.741 -2.135 -11.638 1.00 0.00 O ATOM 856 CB SER A 60 10.699 -5.175 -12.540 1.00 0.00 C ATOM 857 OG SER A 60 11.271 -6.378 -12.062 1.00 0.00 O ATOM 0 H SER A 60 11.801 -3.871 -10.549 1.00 0.00 H new ATOM 0 HA SER A 60 12.390 -4.280 -13.437 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.873 -4.877 -11.895 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.285 -5.333 -13.536 1.00 0.00 H new ATOM 0 HG SER A 60 10.586 -7.079 -12.037 1.00 0.00 H new ATOM 863 N SER A 61 10.894 -2.173 -13.904 1.00 0.00 N ATOM 864 CA SER A 61 10.437 -0.786 -14.194 1.00 0.00 C ATOM 865 C SER A 61 9.516 -0.151 -13.109 1.00 0.00 C ATOM 866 O SER A 61 9.937 0.739 -12.388 1.00 0.00 O ATOM 867 CB SER A 61 9.759 -0.796 -15.551 1.00 0.00 C ATOM 868 OG SER A 61 10.559 -1.533 -16.468 1.00 0.00 O ATOM 0 H SER A 61 11.057 -2.716 -14.752 1.00 0.00 H new ATOM 0 HA SER A 61 11.319 -0.146 -14.190 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.768 -1.244 -15.473 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.620 0.224 -15.909 1.00 0.00 H new ATOM 0 HG SER A 61 10.124 -1.544 -17.346 1.00 0.00 H new ATOM 874 N ARG A 62 8.293 -0.630 -12.980 1.00 0.00 N ATOM 875 CA ARG A 62 7.384 -0.088 -11.968 1.00 0.00 C ATOM 876 C ARG A 62 7.500 -0.839 -10.637 1.00 0.00 C ATOM 877 O ARG A 62 7.283 -0.282 -9.554 1.00 0.00 O ATOM 878 CB ARG A 62 5.936 -0.049 -12.500 1.00 0.00 C ATOM 879 CG ARG A 62 4.878 0.172 -11.431 1.00 0.00 C ATOM 880 CD ARG A 62 3.583 0.691 -12.007 1.00 0.00 C ATOM 881 NE ARG A 62 3.734 2.078 -12.431 1.00 0.00 N ATOM 882 CZ ARG A 62 2.796 2.864 -12.933 1.00 0.00 C ATOM 883 NH1 ARG A 62 1.552 2.409 -13.137 1.00 0.00 N1+ ATOM 884 NH2 ARG A 62 3.114 4.117 -13.209 1.00 0.00 N ATOM 0 H ARG A 62 7.904 -1.381 -13.550 1.00 0.00 H new ATOM 0 HA ARG A 62 7.682 0.940 -11.762 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.856 0.745 -13.242 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.725 -0.987 -13.013 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.691 -0.766 -10.909 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.254 0.879 -10.692 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.283 0.076 -12.855 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.791 0.616 -11.262 1.00 0.00 H new ATOM 0 HE ARG A 62 4.663 2.486 -12.330 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.317 1.444 -12.904 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.840 3.028 -13.525 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.061 4.453 -13.034 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.412 4.748 -13.597 1.00 0.00 H new ATOM 898 N LYS A 63 7.906 -2.081 -10.714 1.00 0.00 N ATOM 899 CA LYS A 63 8.007 -2.911 -9.538 1.00 0.00 C ATOM 900 C LYS A 63 9.013 -2.506 -8.524 1.00 0.00 C ATOM 901 O LYS A 63 8.850 -2.847 -7.389 1.00 0.00 O ATOM 902 CB LYS A 63 7.968 -4.402 -9.778 1.00 0.00 C ATOM 903 CG LYS A 63 6.558 -4.976 -9.729 1.00 0.00 C ATOM 904 CD LYS A 63 5.850 -4.500 -8.456 1.00 0.00 C ATOM 905 CE LYS A 63 4.673 -5.359 -8.097 1.00 0.00 C ATOM 906 NZ LYS A 63 3.912 -4.834 -6.925 1.00 0.00 N1+ ATOM 0 H LYS A 63 8.174 -2.543 -11.583 1.00 0.00 H new ATOM 0 HA LYS A 63 7.054 -2.683 -9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.409 -4.620 -10.751 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.584 -4.901 -9.030 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.996 -4.661 -10.608 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.598 -6.065 -9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.560 -4.498 -7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.517 -3.471 -8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.005 -5.431 -8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.019 -6.369 -7.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.279 -5.575 -6.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.577 -4.551 -6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.349 -4.010 -7.218 1.00 0.00 H new ATOM 920 N ARG A 64 10.044 -1.819 -8.935 1.00 0.00 N ATOM 921 CA ARG A 64 11.099 -1.314 -8.025 1.00 0.00 C ATOM 922 C ARG A 64 10.520 -0.746 -6.704 1.00 0.00 C ATOM 923 O ARG A 64 11.013 -1.029 -5.617 1.00 0.00 O ATOM 924 CB ARG A 64 11.912 -0.227 -8.729 1.00 0.00 C ATOM 925 CG ARG A 64 11.023 0.871 -9.298 1.00 0.00 C ATOM 926 CD ARG A 64 11.767 2.007 -9.931 1.00 0.00 C ATOM 927 NE ARG A 64 10.815 3.042 -10.353 1.00 0.00 N ATOM 928 CZ ARG A 64 11.012 4.353 -10.269 1.00 0.00 C ATOM 929 NH1 ARG A 64 12.178 4.836 -9.804 1.00 0.00 N1+ ATOM 930 NH2 ARG A 64 10.021 5.186 -10.614 1.00 0.00 N ATOM 0 H ARG A 64 10.199 -1.579 -9.914 1.00 0.00 H new ATOM 0 HA ARG A 64 11.736 -2.161 -7.769 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.621 0.209 -8.025 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.496 -0.674 -9.534 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.355 0.433 -10.040 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.396 1.265 -8.498 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.484 2.424 -9.224 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.336 1.650 -10.789 1.00 0.00 H new ATOM 0 HE ARG A 64 9.927 2.728 -10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.916 4.195 -9.514 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.324 5.844 -9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.129 4.811 -10.936 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.159 6.195 -10.554 1.00 0.00 H new ATOM 944 N ALA A 65 9.466 0.020 -6.828 1.00 0.00 N ATOM 945 CA ALA A 65 8.825 0.604 -5.709 1.00 0.00 C ATOM 946 C ALA A 65 7.747 -0.338 -5.207 1.00 0.00 C ATOM 947 O ALA A 65 7.614 -0.601 -4.010 1.00 0.00 O ATOM 948 CB ALA A 65 8.199 1.891 -6.140 1.00 0.00 C ATOM 0 H ALA A 65 9.035 0.250 -7.724 1.00 0.00 H new ATOM 0 HA ALA A 65 9.546 0.788 -4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.700 2.356 -5.290 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.970 2.562 -6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.470 1.696 -6.926 1.00 0.00 H new ATOM 954 N GLY A 66 7.022 -0.889 -6.163 1.00 0.00 N ATOM 955 CA GLY A 66 5.897 -1.751 -5.908 1.00 0.00 C ATOM 956 C GLY A 66 6.218 -3.025 -5.159 1.00 0.00 C ATOM 957 O GLY A 66 5.309 -3.676 -4.682 1.00 0.00 O ATOM 0 H GLY A 66 7.207 -0.743 -7.155 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.153 -1.192 -5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.438 -2.015 -6.861 1.00 0.00 H new ATOM 961 N LYS A 67 7.484 -3.420 -5.131 1.00 0.00 N ATOM 962 CA LYS A 67 7.933 -4.618 -4.417 1.00 0.00 C ATOM 963 C LYS A 67 7.580 -4.547 -2.943 1.00 0.00 C ATOM 964 O LYS A 67 7.090 -5.501 -2.381 1.00 0.00 O ATOM 965 CB LYS A 67 9.448 -4.822 -4.573 1.00 0.00 C ATOM 966 CG LYS A 67 9.919 -5.235 -5.968 1.00 0.00 C ATOM 967 CD LYS A 67 9.402 -6.611 -6.397 1.00 0.00 C ATOM 968 CE LYS A 67 9.948 -7.725 -5.510 1.00 0.00 C ATOM 969 NZ LYS A 67 11.430 -7.707 -5.469 1.00 0.00 N1+ ATOM 0 H LYS A 67 8.236 -2.919 -5.604 1.00 0.00 H new ATOM 0 HA LYS A 67 7.414 -5.468 -4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.951 -3.895 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.769 -5.582 -3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.590 -4.489 -6.691 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.009 -5.241 -5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.313 -6.618 -6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.686 -6.799 -7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.553 -7.614 -4.500 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.605 -8.690 -5.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.785 -8.674 -5.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.798 -7.333 -6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.748 -7.101 -4.686 1.00 0.00 H new ATOM 983 N LEU A 68 7.792 -3.399 -2.343 1.00 0.00 N ATOM 984 CA LEU A 68 7.520 -3.216 -0.924 1.00 0.00 C ATOM 985 C LEU A 68 6.059 -3.345 -0.599 1.00 0.00 C ATOM 986 O LEU A 68 5.671 -4.073 0.294 1.00 0.00 O ATOM 987 CB LEU A 68 8.070 -1.887 -0.444 1.00 0.00 C ATOM 988 CG LEU A 68 7.399 -1.251 0.785 1.00 0.00 C ATOM 989 CD1 LEU A 68 7.714 -1.959 2.063 1.00 0.00 C ATOM 990 CD2 LEU A 68 7.650 0.240 0.864 1.00 0.00 C ATOM 0 H LEU A 68 8.154 -2.569 -2.813 1.00 0.00 H new ATOM 0 HA LEU A 68 8.030 -4.018 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.128 -2.021 -0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.006 -1.177 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 68 6.326 -1.380 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.209 -1.459 2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.372 -2.992 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.791 -1.943 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.157 0.646 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.722 0.426 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.252 0.724 -0.028 1.00 0.00 H new ATOM 1002 N LEU A 69 5.260 -2.685 -1.353 1.00 0.00 N ATOM 1003 CA LEU A 69 3.841 -2.671 -1.112 1.00 0.00 C ATOM 1004 C LEU A 69 3.240 -4.018 -1.525 1.00 0.00 C ATOM 1005 O LEU A 69 2.116 -4.348 -1.187 1.00 0.00 O ATOM 1006 CB LEU A 69 3.140 -1.473 -1.819 1.00 0.00 C ATOM 1007 CG LEU A 69 4.025 -0.504 -2.677 1.00 0.00 C ATOM 1008 CD1 LEU A 69 3.146 0.494 -3.399 1.00 0.00 C ATOM 1009 CD2 LEU A 69 5.000 0.281 -1.798 1.00 0.00 C ATOM 0 H LEU A 69 5.558 -2.135 -2.158 1.00 0.00 H new ATOM 0 HA LEU A 69 3.669 -2.527 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.362 -1.877 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.641 -0.879 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 69 4.584 -1.114 -3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.768 1.164 -3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.456 -0.037 -4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.581 1.075 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.599 0.944 -2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.441 0.872 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.655 -0.413 -1.272 1.00 0.00 H new ATOM 1021 N ASP A 70 4.019 -4.769 -2.271 1.00 0.00 N ATOM 1022 CA ASP A 70 3.646 -6.089 -2.716 1.00 0.00 C ATOM 1023 C ASP A 70 3.792 -7.041 -1.542 1.00 0.00 C ATOM 1024 O ASP A 70 2.885 -7.781 -1.218 1.00 0.00 O ATOM 1025 CB ASP A 70 4.575 -6.523 -3.854 1.00 0.00 C ATOM 1026 CG ASP A 70 3.940 -7.490 -4.791 1.00 0.00 C ATOM 1027 OD1 ASP A 70 3.249 -7.015 -5.727 1.00 0.00 O ATOM 1028 OD2 ASP A 70 4.074 -8.685 -4.623 1.00 0.00 O1- ATOM 0 H ASP A 70 4.942 -4.474 -2.589 1.00 0.00 H new ATOM 0 HA ASP A 70 2.618 -6.094 -3.078 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.893 -5.642 -4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.473 -6.973 -3.430 1.00 0.00 H new ATOM 1033 N TYR A 71 4.936 -6.938 -0.864 1.00 0.00 N ATOM 1034 CA TYR A 71 5.245 -7.784 0.282 1.00 0.00 C ATOM 1035 C TYR A 71 4.450 -7.505 1.575 1.00 0.00 C ATOM 1036 O TYR A 71 4.516 -8.298 2.526 1.00 0.00 O ATOM 1037 CB TYR A 71 6.764 -8.097 0.512 1.00 0.00 C ATOM 1038 CG TYR A 71 7.790 -6.956 0.573 1.00 0.00 C ATOM 1039 CD1 TYR A 71 7.759 -5.968 1.550 1.00 0.00 C ATOM 1040 CD2 TYR A 71 8.845 -6.912 -0.337 1.00 0.00 C ATOM 1041 CE1 TYR A 71 8.714 -5.002 1.605 1.00 0.00 C ATOM 1042 CE2 TYR A 71 9.798 -5.943 -0.269 1.00 0.00 C ATOM 1043 CZ TYR A 71 9.733 -4.993 0.705 1.00 0.00 C ATOM 1044 OH TYR A 71 10.691 -4.004 0.766 1.00 0.00 O ATOM 0 H TYR A 71 5.669 -6.268 -1.095 1.00 0.00 H new ATOM 0 HA TYR A 71 4.835 -8.736 -0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.841 -8.651 1.448 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.079 -8.772 -0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.962 -5.968 2.279 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.907 -7.662 -1.112 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.663 -4.238 2.367 1.00 0.00 H new ATOM 0 HE2 TYR A 71 10.605 -5.927 -0.987 1.00 0.00 H new ATOM 0 HH TYR A 71 10.371 -3.274 1.336 1.00 0.00 H new ATOM 1054 N LEU A 72 3.778 -6.355 1.656 1.00 0.00 N ATOM 1055 CA LEU A 72 2.961 -6.045 2.850 1.00 0.00 C ATOM 1056 C LEU A 72 1.524 -6.559 2.693 1.00 0.00 C ATOM 1057 O LEU A 72 0.772 -6.579 3.662 1.00 0.00 O ATOM 1058 CB LEU A 72 2.790 -4.537 3.108 1.00 0.00 C ATOM 1059 CG LEU A 72 3.975 -3.592 3.071 1.00 0.00 C ATOM 1060 CD1 LEU A 72 3.669 -2.354 3.848 1.00 0.00 C ATOM 1061 CD2 LEU A 72 5.225 -4.190 3.549 1.00 0.00 C ATOM 0 H LEU A 72 3.776 -5.634 0.934 1.00 0.00 H new ATOM 0 HA LEU A 72 3.505 -6.523 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.068 -4.170 2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.331 -4.433 4.091 1.00 0.00 H new ATOM 0 HG LEU A 72 4.136 -3.348 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.527 -1.682 3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.802 -1.857 3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.455 -2.618 4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.026 -3.453 3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.102 -4.513 4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.478 -5.049 2.928 1.00 0.00 H new ATOM 1073 N GLN A 73 1.138 -6.920 1.473 1.00 0.00 N ATOM 1074 CA GLN A 73 -0.277 -7.134 1.126 1.00 0.00 C ATOM 1075 C GLN A 73 -0.953 -8.259 1.936 1.00 0.00 C ATOM 1076 O GLN A 73 -2.089 -8.084 2.414 1.00 0.00 O ATOM 1077 CB GLN A 73 -0.437 -7.343 -0.394 1.00 0.00 C ATOM 1078 CG GLN A 73 -1.802 -6.905 -0.967 1.00 0.00 C ATOM 1079 CD GLN A 73 -2.963 -7.683 -0.551 1.00 0.00 C ATOM 1080 OE1 GLN A 73 -2.924 -8.895 -0.321 1.00 0.00 O ATOM 1081 NE2 GLN A 73 -4.045 -6.996 -0.458 1.00 0.00 N ATOM 0 H GLN A 73 1.784 -7.073 0.699 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.806 -6.224 1.410 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.351 -6.792 -0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.286 -8.399 -0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.971 -5.865 -0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.742 -6.938 -2.055 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.033 -5.996 -0.657 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.916 -7.451 -0.185 1.00 0.00 H new ATOM 1090 N GLU A 74 -0.265 -9.370 2.135 1.00 0.00 N ATOM 1091 CA GLU A 74 -0.832 -10.516 2.859 1.00 0.00 C ATOM 1092 C GLU A 74 -0.811 -10.304 4.379 1.00 0.00 C ATOM 1093 O GLU A 74 -1.135 -11.199 5.167 1.00 0.00 O ATOM 1094 CB GLU A 74 -0.222 -11.885 2.438 1.00 0.00 C ATOM 1095 CG GLU A 74 1.298 -12.016 2.521 1.00 0.00 C ATOM 1096 CD GLU A 74 2.029 -11.242 1.449 1.00 0.00 C ATOM 1097 OE1 GLU A 74 2.233 -10.033 1.621 1.00 0.00 O ATOM 1098 OE2 GLU A 74 2.464 -11.846 0.449 1.00 0.00 O1- ATOM 0 H GLU A 74 0.691 -9.512 1.808 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.879 -10.567 2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.665 -12.661 3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.525 -12.091 1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.632 -11.670 3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.569 -13.069 2.446 1.00 0.00 H new ATOM 1105 N ASN A 75 -0.441 -9.110 4.756 1.00 0.00 N ATOM 1106 CA ASN A 75 -0.520 -8.604 6.102 1.00 0.00 C ATOM 1107 C ASN A 75 -1.700 -7.626 6.101 1.00 0.00 C ATOM 1108 O ASN A 75 -1.519 -6.456 5.783 1.00 0.00 O ATOM 1109 CB ASN A 75 0.784 -7.901 6.544 1.00 0.00 C ATOM 1110 CG ASN A 75 0.784 -7.460 8.018 1.00 0.00 C ATOM 1111 OD1 ASN A 75 -0.252 -7.166 8.614 1.00 0.00 O ATOM 1112 ND2 ASN A 75 1.958 -7.400 8.609 1.00 0.00 N ATOM 0 H ASN A 75 -0.057 -8.429 4.101 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.661 -9.417 6.814 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.624 -8.575 6.376 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.946 -7.027 5.913 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.024 -7.105 9.583 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.802 -7.649 8.093 1.00 0.00 H new ATOM 1119 N PRO A 76 -2.949 -8.149 6.302 1.00 0.00 N ATOM 1120 CA PRO A 76 -4.230 -7.418 6.151 1.00 0.00 C ATOM 1121 C PRO A 76 -4.219 -5.901 6.436 1.00 0.00 C ATOM 1122 O PRO A 76 -4.797 -5.124 5.663 1.00 0.00 O ATOM 1123 CB PRO A 76 -5.132 -8.137 7.140 1.00 0.00 C ATOM 1124 CG PRO A 76 -4.698 -9.556 7.053 1.00 0.00 C ATOM 1125 CD PRO A 76 -3.212 -9.535 6.765 1.00 0.00 C ATOM 0 HA PRO A 76 -4.539 -7.436 5.106 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.012 -7.744 8.149 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.184 -8.024 6.877 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.905 -10.083 7.985 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.239 -10.079 6.264 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.631 -9.774 7.655 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.944 -10.267 6.003 1.00 0.00 H new ATOM 1133 N LYS A 77 -3.595 -5.474 7.520 1.00 0.00 N ATOM 1134 CA LYS A 77 -3.598 -4.055 7.857 1.00 0.00 C ATOM 1135 C LYS A 77 -2.146 -3.524 7.916 1.00 0.00 C ATOM 1136 O LYS A 77 -1.870 -2.459 8.458 1.00 0.00 O ATOM 1137 CB LYS A 77 -4.368 -3.831 9.189 1.00 0.00 C ATOM 1138 CG LYS A 77 -4.890 -2.398 9.414 1.00 0.00 C ATOM 1139 CD LYS A 77 -5.873 -1.989 8.307 1.00 0.00 C ATOM 1140 CE LYS A 77 -6.425 -0.573 8.490 1.00 0.00 C ATOM 1141 NZ LYS A 77 -7.368 -0.465 9.618 1.00 0.00 N1+ ATOM 0 H LYS A 77 -3.088 -6.073 8.172 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.117 -3.489 7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.214 -4.518 9.221 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.712 -4.096 10.018 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.383 -2.335 10.384 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.052 -1.701 9.436 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.372 -2.056 7.341 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.702 -2.696 8.286 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.596 0.117 8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.926 -0.263 7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.708 0.515 9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.175 -1.101 9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.886 -0.733 10.500 1.00 0.00 H new ATOM 1155 N GLY A 78 -1.244 -4.272 7.303 1.00 0.00 N ATOM 1156 CA GLY A 78 0.162 -3.929 7.283 1.00 0.00 C ATOM 1157 C GLY A 78 0.524 -3.043 6.119 1.00 0.00 C ATOM 1158 O GLY A 78 1.412 -2.210 6.231 1.00 0.00 O ATOM 0 H GLY A 78 -1.469 -5.134 6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.423 -3.425 8.214 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.755 -4.843 7.238 1.00 0.00 H new ATOM 1162 N LEU A 79 -0.173 -3.202 5.008 1.00 0.00 N ATOM 1163 CA LEU A 79 0.091 -2.407 3.795 1.00 0.00 C ATOM 1164 C LEU A 79 -0.287 -0.927 4.015 1.00 0.00 C ATOM 1165 O LEU A 79 0.258 -0.006 3.383 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.639 -3.047 2.584 1.00 0.00 C ATOM 1167 CG LEU A 79 -0.510 -2.367 1.194 1.00 0.00 C ATOM 1168 CD1 LEU A 79 0.922 -2.130 0.809 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -1.133 -3.235 0.134 1.00 0.00 C ATOM 0 H LEU A 79 -0.933 -3.875 4.909 1.00 0.00 H new ATOM 0 HA LEU A 79 1.158 -2.416 3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.281 -4.072 2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.700 -3.102 2.828 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.021 -1.407 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.961 -1.653 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.395 -1.483 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.451 -3.082 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.037 -2.749 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.625 -4.199 0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.188 -3.386 0.361 1.00 0.00 H new ATOM 1181 N ASP A 80 -1.152 -0.724 4.976 1.00 0.00 N ATOM 1182 CA ASP A 80 -1.674 0.586 5.369 1.00 0.00 C ATOM 1183 C ASP A 80 -0.575 1.433 6.030 1.00 0.00 C ATOM 1184 O ASP A 80 -0.675 2.654 6.124 1.00 0.00 O ATOM 1185 CB ASP A 80 -2.843 0.385 6.341 1.00 0.00 C ATOM 1186 CG ASP A 80 -3.893 -0.563 5.791 1.00 0.00 C ATOM 1187 OD1 ASP A 80 -3.617 -1.780 5.680 1.00 0.00 O ATOM 1188 OD2 ASP A 80 -5.008 -0.146 5.478 1.00 0.00 O1- ATOM 0 H ASP A 80 -1.534 -1.487 5.535 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.019 1.116 4.481 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.464 -0.005 7.286 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.304 1.349 6.556 1.00 0.00 H new ATOM 1193 N THR A 81 0.484 0.770 6.452 1.00 0.00 N ATOM 1194 CA THR A 81 1.654 1.397 7.056 1.00 0.00 C ATOM 1195 C THR A 81 2.303 2.428 6.088 1.00 0.00 C ATOM 1196 O THR A 81 2.890 3.446 6.519 1.00 0.00 O ATOM 1197 CB THR A 81 2.684 0.282 7.416 1.00 0.00 C ATOM 1198 OG1 THR A 81 2.091 -0.633 8.330 1.00 0.00 O ATOM 1199 CG2 THR A 81 3.978 0.822 8.011 1.00 0.00 C ATOM 0 H THR A 81 0.561 -0.245 6.385 1.00 0.00 H new ATOM 0 HA THR A 81 1.347 1.934 7.954 1.00 0.00 H new ATOM 0 HB THR A 81 2.949 -0.214 6.482 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.715 -1.391 7.836 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.648 -0.007 8.238 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.457 1.490 7.295 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.756 1.370 8.927 1.00 0.00 H new ATOM 1207 N LEU A 82 2.161 2.182 4.799 1.00 0.00 N ATOM 1208 CA LEU A 82 2.829 2.978 3.786 1.00 0.00 C ATOM 1209 C LEU A 82 2.030 4.213 3.362 1.00 0.00 C ATOM 1210 O LEU A 82 2.605 5.295 3.208 1.00 0.00 O ATOM 1211 CB LEU A 82 3.150 2.104 2.585 1.00 0.00 C ATOM 1212 CG LEU A 82 3.981 0.853 2.890 1.00 0.00 C ATOM 1213 CD1 LEU A 82 4.238 0.053 1.639 1.00 0.00 C ATOM 1214 CD2 LEU A 82 5.293 1.207 3.594 1.00 0.00 C ATOM 0 H LEU A 82 1.583 1.429 4.426 1.00 0.00 H new ATOM 0 HA LEU A 82 3.751 3.357 4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.214 1.794 2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.686 2.706 1.851 1.00 0.00 H new ATOM 0 HG LEU A 82 3.399 0.234 3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.830 -0.829 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.288 -0.258 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.783 0.666 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.856 0.295 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.883 1.865 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.076 1.714 4.534 1.00 0.00 H new ATOM 1226 N VAL A 83 0.704 4.063 3.218 1.00 0.00 N ATOM 1227 CA VAL A 83 -0.179 5.167 2.750 1.00 0.00 C ATOM 1228 C VAL A 83 -0.094 6.405 3.656 1.00 0.00 C ATOM 1229 O VAL A 83 -0.225 7.542 3.199 1.00 0.00 O ATOM 1230 CB VAL A 83 -1.678 4.704 2.577 1.00 0.00 C ATOM 1231 CG1 VAL A 83 -2.209 4.037 3.830 1.00 0.00 C ATOM 1232 CG2 VAL A 83 -2.574 5.879 2.222 1.00 0.00 C ATOM 0 H VAL A 83 0.211 3.192 3.416 1.00 0.00 H new ATOM 0 HA VAL A 83 0.194 5.451 1.766 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.689 3.979 1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.243 3.733 3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.604 3.160 4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.162 4.738 4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.601 5.532 2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.528 6.624 3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.236 6.325 1.286 1.00 0.00 H new ATOM 1242 N GLU A 84 0.188 6.152 4.911 1.00 0.00 N ATOM 1243 CA GLU A 84 0.308 7.159 5.949 1.00 0.00 C ATOM 1244 C GLU A 84 1.236 8.326 5.523 1.00 0.00 C ATOM 1245 O GLU A 84 0.871 9.479 5.656 1.00 0.00 O ATOM 1246 CB GLU A 84 0.778 6.430 7.246 1.00 0.00 C ATOM 1247 CG GLU A 84 1.049 7.267 8.508 1.00 0.00 C ATOM 1248 CD GLU A 84 2.302 8.114 8.423 1.00 0.00 C ATOM 1249 OE1 GLU A 84 3.356 7.587 7.975 1.00 0.00 O1- ATOM 1250 OE2 GLU A 84 2.227 9.309 8.743 1.00 0.00 O ATOM 0 H GLU A 84 0.347 5.205 5.255 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.652 7.639 6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.023 5.686 7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.692 5.887 7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.194 7.917 8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.131 6.599 9.365 1.00 0.00 H new ATOM 1257 N SER A 85 2.377 8.020 4.958 1.00 0.00 N ATOM 1258 CA SER A 85 3.335 9.055 4.607 1.00 0.00 C ATOM 1259 C SER A 85 2.981 9.742 3.280 1.00 0.00 C ATOM 1260 O SER A 85 3.406 10.873 3.013 1.00 0.00 O ATOM 1261 CB SER A 85 4.724 8.462 4.587 1.00 0.00 C ATOM 1262 OG SER A 85 4.983 7.832 5.833 1.00 0.00 O ATOM 0 H SER A 85 2.670 7.070 4.730 1.00 0.00 H new ATOM 0 HA SER A 85 3.299 9.838 5.364 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.812 7.739 3.776 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.462 9.242 4.400 1.00 0.00 H new ATOM 0 HG SER A 85 4.255 8.032 6.458 1.00 0.00 H new ATOM 1268 N ILE A 86 2.155 9.078 2.485 1.00 0.00 N ATOM 1269 CA ILE A 86 1.720 9.598 1.196 1.00 0.00 C ATOM 1270 C ILE A 86 0.774 10.786 1.410 1.00 0.00 C ATOM 1271 O ILE A 86 0.559 11.588 0.524 1.00 0.00 O ATOM 1272 CB ILE A 86 1.064 8.495 0.307 1.00 0.00 C ATOM 1273 CG1 ILE A 86 2.039 7.327 0.140 1.00 0.00 C ATOM 1274 CG2 ILE A 86 0.675 9.045 -1.073 1.00 0.00 C ATOM 1275 CD1 ILE A 86 1.523 6.235 -0.759 1.00 0.00 C ATOM 0 H ILE A 86 1.767 8.163 2.715 1.00 0.00 H new ATOM 0 HA ILE A 86 2.600 9.942 0.653 1.00 0.00 H new ATOM 0 HB ILE A 86 0.155 8.154 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.979 7.704 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.259 6.905 1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.221 8.251 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.038 9.860 -0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.565 9.414 -1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.266 5.441 -0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.599 5.831 -0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.330 6.642 -1.752 1.00 0.00 H new ATOM 1287 N ARG A 87 0.230 10.884 2.624 1.00 0.00 N ATOM 1288 CA ARG A 87 -0.652 11.992 3.074 1.00 0.00 C ATOM 1289 C ARG A 87 0.011 13.410 2.791 1.00 0.00 C ATOM 1290 O ARG A 87 -0.627 14.433 2.887 1.00 0.00 O ATOM 1291 CB ARG A 87 -0.826 11.822 4.589 1.00 0.00 C ATOM 1292 CG ARG A 87 -1.726 12.809 5.287 1.00 0.00 C ATOM 1293 CD ARG A 87 -1.693 12.537 6.775 1.00 0.00 C ATOM 1294 NE ARG A 87 -0.322 12.689 7.317 1.00 0.00 N ATOM 1295 CZ ARG A 87 0.390 11.699 7.912 1.00 0.00 C ATOM 1296 NH1 ARG A 87 -0.183 10.553 8.232 1.00 0.00 N1+ ATOM 1297 NH2 ARG A 87 1.669 11.869 8.217 1.00 0.00 N ATOM 0 H ARG A 87 0.387 10.184 3.349 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.601 11.955 2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.212 10.820 4.776 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.159 11.875 5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.397 13.828 5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.745 12.721 4.910 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.368 13.223 7.288 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.055 11.528 6.971 1.00 0.00 H new ATOM 0 HE ARG A 87 0.119 13.605 7.237 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.172 10.404 8.032 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.364 9.817 8.679 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.131 12.753 8.005 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.191 11.115 8.664 1.00 0.00 H new ATOM 1311 N ARG A 88 1.317 13.410 2.548 1.00 0.00 N ATOM 1312 CA ARG A 88 2.126 14.601 2.218 1.00 0.00 C ATOM 1313 C ARG A 88 2.249 14.868 0.669 1.00 0.00 C ATOM 1314 O ARG A 88 2.638 15.960 0.274 1.00 0.00 O ATOM 1315 CB ARG A 88 3.522 14.419 2.937 1.00 0.00 C ATOM 1316 CG ARG A 88 4.771 15.226 2.463 1.00 0.00 C ATOM 1317 CD ARG A 88 4.564 16.735 2.331 1.00 0.00 C ATOM 1318 NE ARG A 88 3.890 17.358 3.477 1.00 0.00 N ATOM 1319 CZ ARG A 88 2.749 18.057 3.354 1.00 0.00 C ATOM 1320 NH1 ARG A 88 2.118 18.078 2.185 1.00 0.00 N1+ ATOM 1321 NH2 ARG A 88 2.234 18.713 4.402 1.00 0.00 N ATOM 0 H ARG A 88 1.871 12.554 2.574 1.00 0.00 H new ATOM 0 HA ARG A 88 1.631 15.501 2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.372 14.649 3.992 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.780 13.362 2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.586 15.048 3.165 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.091 14.834 1.497 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.534 17.212 2.193 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.981 16.932 1.431 1.00 0.00 H new ATOM 0 HE ARG A 88 4.304 17.256 4.403 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.500 17.566 1.390 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.251 18.606 2.083 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.709 18.685 5.304 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.367 19.241 4.298 1.00 0.00 H new ATOM 1335 N GLU A 89 1.777 13.921 -0.142 1.00 0.00 N ATOM 1336 CA GLU A 89 2.105 13.782 -1.596 1.00 0.00 C ATOM 1337 C GLU A 89 2.268 15.114 -2.402 1.00 0.00 C ATOM 1338 O GLU A 89 3.397 15.454 -2.751 1.00 0.00 O ATOM 1339 CB GLU A 89 1.024 12.853 -2.215 1.00 0.00 C ATOM 1340 CG GLU A 89 1.295 12.240 -3.588 1.00 0.00 C ATOM 1341 CD GLU A 89 0.999 13.133 -4.769 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -0.133 13.593 -4.912 1.00 0.00 O1- ATOM 1343 OE2 GLU A 89 1.907 13.355 -5.617 1.00 0.00 O ATOM 0 H GLU A 89 1.136 13.199 0.186 1.00 0.00 H new ATOM 0 HA GLU A 89 3.105 13.355 -1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.848 12.036 -1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.096 13.421 -2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.343 11.943 -3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.701 11.331 -3.684 1.00 0.00 H new ATOM 1350 N LYS A 90 1.191 15.814 -2.763 1.00 0.00 N ATOM 1351 CA LYS A 90 1.363 17.162 -3.353 1.00 0.00 C ATOM 1352 C LYS A 90 1.173 18.268 -2.341 1.00 0.00 C ATOM 1353 O LYS A 90 2.074 19.015 -2.000 1.00 0.00 O ATOM 1354 CB LYS A 90 0.462 17.375 -4.569 1.00 0.00 C ATOM 1355 CG LYS A 90 0.846 16.510 -5.740 1.00 0.00 C ATOM 1356 CD LYS A 90 -0.111 16.657 -6.900 1.00 0.00 C ATOM 1357 CE LYS A 90 0.250 15.692 -8.015 1.00 0.00 C ATOM 1358 NZ LYS A 90 0.248 14.285 -7.537 1.00 0.00 N1+ ATOM 0 H LYS A 90 0.226 15.497 -2.667 1.00 0.00 H new ATOM 0 HA LYS A 90 2.398 17.210 -3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.571 17.165 -4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.505 18.422 -4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.853 16.771 -6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.874 15.467 -5.425 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.130 16.468 -6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.083 17.680 -7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.459 15.800 -8.835 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.235 15.942 -8.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.108 13.644 -8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.158 14.072 -7.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.523 14.152 -6.852 1.00 0.00 H new ATOM 1372 N THR A 91 -0.041 18.330 -1.860 1.00 0.00 N ATOM 1373 CA THR A 91 -0.469 19.287 -0.892 1.00 0.00 C ATOM 1374 C THR A 91 -0.737 18.557 0.390 1.00 0.00 C ATOM 1375 O THR A 91 -0.271 18.947 1.469 1.00 0.00 O ATOM 1376 CB THR A 91 -1.755 19.967 -1.396 1.00 0.00 C ATOM 1377 OG1 THR A 91 -2.652 18.947 -1.921 1.00 0.00 O ATOM 1378 CG2 THR A 91 -1.445 20.985 -2.488 1.00 0.00 C ATOM 0 H THR A 91 -0.781 17.689 -2.147 1.00 0.00 H new ATOM 0 HA THR A 91 0.292 20.050 -0.731 1.00 0.00 H new ATOM 0 HB THR A 91 -2.224 20.493 -0.565 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.475 19.370 -2.243 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.371 21.450 -2.826 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.778 21.751 -2.093 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.964 20.483 -3.328 1.00 0.00 H new ATOM 1386 N GLN A 92 -1.516 17.501 0.242 1.00 0.00 N ATOM 1387 CA GLN A 92 -1.831 16.554 1.269 1.00 0.00 C ATOM 1388 C GLN A 92 -2.687 15.396 0.717 1.00 0.00 C ATOM 1389 O GLN A 92 -2.168 14.374 0.307 1.00 0.00 O ATOM 1390 CB GLN A 92 -2.459 17.202 2.560 1.00 0.00 C ATOM 1391 CG GLN A 92 -3.661 18.133 2.348 1.00 0.00 C ATOM 1392 CD GLN A 92 -4.202 18.676 3.650 1.00 0.00 C ATOM 1393 OE1 GLN A 92 -5.068 18.083 4.262 1.00 0.00 O ATOM 1394 NE2 GLN A 92 -3.700 19.804 4.076 1.00 0.00 N ATOM 0 H GLN A 92 -1.964 17.279 -0.647 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.880 16.137 1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.765 16.398 3.230 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -1.679 17.765 3.072 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.366 18.963 1.705 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.450 17.591 1.827 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.974 20.275 3.537 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -4.034 20.214 4.948 1.00 0.00 H new ATOM 1403 N ASN A 93 -3.950 15.646 0.571 1.00 0.00 N ATOM 1404 CA ASN A 93 -4.971 14.634 0.303 1.00 0.00 C ATOM 1405 C ASN A 93 -5.088 14.184 -1.149 1.00 0.00 C ATOM 1406 O ASN A 93 -5.840 13.271 -1.406 1.00 0.00 O ATOM 1407 CB ASN A 93 -6.347 15.095 0.817 1.00 0.00 C ATOM 1408 CG ASN A 93 -6.862 16.352 0.107 1.00 0.00 C ATOM 1409 OD1 ASN A 93 -6.082 17.207 -0.327 1.00 0.00 O ATOM 1410 ND2 ASN A 93 -8.160 16.470 -0.022 1.00 0.00 N ATOM 0 H ASN A 93 -4.331 16.590 0.634 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.628 13.757 0.851 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.067 14.288 0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.282 15.290 1.887 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -8.554 17.285 -0.492 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.777 15.747 0.347 1.00 0.00 H new ATOM 1417 N PHE A 94 -4.378 14.822 -2.073 1.00 0.00 N ATOM 1418 CA PHE A 94 -4.503 14.534 -3.536 1.00 0.00 C ATOM 1419 C PHE A 94 -4.549 13.010 -3.860 1.00 0.00 C ATOM 1420 O PHE A 94 -5.566 12.498 -4.325 1.00 0.00 O ATOM 1421 CB PHE A 94 -3.362 15.213 -4.322 1.00 0.00 C ATOM 1422 CG PHE A 94 -3.507 15.116 -5.828 1.00 0.00 C ATOM 1423 CD1 PHE A 94 -2.990 14.033 -6.531 1.00 0.00 C ATOM 1424 CD2 PHE A 94 -4.160 16.110 -6.535 1.00 0.00 C ATOM 1425 CE1 PHE A 94 -3.128 13.947 -7.903 1.00 0.00 C ATOM 1426 CE2 PHE A 94 -4.299 16.031 -7.909 1.00 0.00 C ATOM 1427 CZ PHE A 94 -3.782 14.947 -8.592 1.00 0.00 C ATOM 0 H PHE A 94 -3.699 15.551 -1.853 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.460 14.950 -3.850 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.315 16.265 -4.039 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -2.414 14.762 -4.029 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.474 13.249 -5.997 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.567 16.960 -6.007 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.724 13.098 -8.435 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -4.811 16.815 -8.447 1.00 0.00 H new ATOM 0 HZ PHE A 94 -3.890 14.883 -9.665 1.00 0.00 H new ATOM 1437 N LEU A 95 -3.460 12.306 -3.570 1.00 0.00 N ATOM 1438 CA LEU A 95 -3.349 10.853 -3.840 1.00 0.00 C ATOM 1439 C LEU A 95 -4.320 10.100 -2.951 1.00 0.00 C ATOM 1440 O LEU A 95 -4.903 9.082 -3.314 1.00 0.00 O ATOM 1441 CB LEU A 95 -1.958 10.387 -3.427 1.00 0.00 C ATOM 1442 CG LEU A 95 -1.193 9.447 -4.386 1.00 0.00 C ATOM 1443 CD1 LEU A 95 -1.959 8.174 -4.662 1.00 0.00 C ATOM 1444 CD2 LEU A 95 -0.844 10.130 -5.684 1.00 0.00 C ATOM 0 H LEU A 95 -2.627 12.711 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.550 10.672 -4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.343 11.273 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.047 9.882 -2.465 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.266 9.184 -3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.384 7.543 -5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.128 7.641 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.918 8.418 -5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.307 9.434 -6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.758 10.454 -6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.214 10.996 -5.481 1.00 0.00 H new ATOM 1456 N ILE A 96 -4.511 10.674 -1.816 1.00 0.00 N ATOM 1457 CA ILE A 96 -5.198 10.085 -0.696 1.00 0.00 C ATOM 1458 C ILE A 96 -6.686 9.974 -1.013 1.00 0.00 C ATOM 1459 O ILE A 96 -7.367 9.057 -0.555 1.00 0.00 O ATOM 1460 CB ILE A 96 -4.937 10.962 0.580 1.00 0.00 C ATOM 1461 CG1 ILE A 96 -3.522 11.555 0.543 1.00 0.00 C ATOM 1462 CG2 ILE A 96 -5.069 10.159 1.863 1.00 0.00 C ATOM 1463 CD1 ILE A 96 -2.428 10.547 0.452 1.00 0.00 C ATOM 0 H ILE A 96 -4.178 11.619 -1.622 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.825 9.079 -0.502 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.690 11.750 0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.448 12.230 -0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.371 12.156 1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.880 10.807 2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -6.077 9.749 1.934 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.345 9.344 1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.465 11.056 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.470 9.885 1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.548 9.961 -0.459 1.00 0.00 H new ATOM 1475 N GLN A 97 -7.168 10.887 -1.848 1.00 0.00 N ATOM 1476 CA GLN A 97 -8.544 10.868 -2.301 1.00 0.00 C ATOM 1477 C GLN A 97 -8.762 9.682 -3.217 1.00 0.00 C ATOM 1478 O GLN A 97 -9.782 9.035 -3.140 1.00 0.00 O ATOM 1479 CB GLN A 97 -8.931 12.171 -3.016 1.00 0.00 C ATOM 1480 CG GLN A 97 -8.822 13.422 -2.150 1.00 0.00 C ATOM 1481 CD GLN A 97 -9.678 13.359 -0.898 1.00 0.00 C ATOM 1482 OE1 GLN A 97 -10.819 13.771 -0.893 1.00 0.00 O ATOM 1483 NE2 GLN A 97 -9.122 12.849 0.175 1.00 0.00 N ATOM 0 H GLN A 97 -6.615 11.656 -2.226 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.185 10.777 -1.424 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.294 12.294 -3.892 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -9.956 12.082 -3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.781 13.568 -1.863 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.115 14.291 -2.739 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.160 12.511 0.139 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -9.651 12.791 1.045 1.00 0.00 H new ATOM 1492 N LYS A 98 -7.752 9.368 -4.038 1.00 0.00 N ATOM 1493 CA LYS A 98 -7.832 8.236 -4.969 1.00 0.00 C ATOM 1494 C LYS A 98 -7.920 6.923 -4.187 1.00 0.00 C ATOM 1495 O LYS A 98 -8.609 5.981 -4.585 1.00 0.00 O ATOM 1496 CB LYS A 98 -6.598 8.184 -5.907 1.00 0.00 C ATOM 1497 CG LYS A 98 -6.662 7.041 -6.921 1.00 0.00 C ATOM 1498 CD LYS A 98 -7.713 7.321 -7.995 1.00 0.00 C ATOM 1499 CE LYS A 98 -8.145 6.048 -8.689 1.00 0.00 C ATOM 1500 NZ LYS A 98 -8.895 5.184 -7.766 1.00 0.00 N1+ ATOM 0 H LYS A 98 -6.871 9.881 -4.076 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.726 8.371 -5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.515 9.131 -6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.696 8.077 -5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.686 6.909 -7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.899 6.108 -6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.580 7.802 -7.542 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.309 8.018 -8.729 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.764 6.290 -9.553 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.270 5.517 -9.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.723 4.187 -8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.582 5.364 -6.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.911 5.389 -7.847 1.00 0.00 H new ATOM 1514 N ILE A 99 -7.217 6.886 -3.081 1.00 0.00 N ATOM 1515 CA ILE A 99 -7.182 5.724 -2.215 1.00 0.00 C ATOM 1516 C ILE A 99 -8.523 5.578 -1.483 1.00 0.00 C ATOM 1517 O ILE A 99 -9.102 4.483 -1.427 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.012 5.851 -1.209 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -4.697 6.038 -1.991 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.937 4.619 -0.301 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -3.481 6.300 -1.135 1.00 0.00 C ATOM 0 H ILE A 99 -6.648 7.665 -2.751 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.021 4.829 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.178 6.718 -0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.517 5.145 -2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.820 6.868 -2.687 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.107 4.731 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.869 4.520 0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -5.781 3.728 -0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.605 6.418 -1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.633 7.211 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.326 5.461 -0.457 1.00 0.00 H new ATOM 1533 N THR A 100 -9.021 6.698 -0.967 1.00 0.00 N ATOM 1534 CA THR A 100 -10.312 6.752 -0.287 1.00 0.00 C ATOM 1535 C THR A 100 -11.420 6.323 -1.269 1.00 0.00 C ATOM 1536 O THR A 100 -12.319 5.534 -0.927 1.00 0.00 O ATOM 1537 CB THR A 100 -10.579 8.196 0.222 1.00 0.00 C ATOM 1538 OG1 THR A 100 -9.483 8.624 1.052 1.00 0.00 O ATOM 1539 CG2 THR A 100 -11.869 8.275 1.028 1.00 0.00 C ATOM 0 H THR A 100 -8.540 7.596 -1.009 1.00 0.00 H new ATOM 0 HA THR A 100 -10.305 6.075 0.568 1.00 0.00 H new ATOM 0 HB THR A 100 -10.675 8.845 -0.649 1.00 0.00 H new ATOM 0 HG1 THR A 100 -8.748 8.940 0.486 1.00 0.00 H new ATOM 0 HG21 THR A 100 -12.024 9.299 1.368 1.00 0.00 H new ATOM 0 HG22 THR A 100 -12.708 7.970 0.403 1.00 0.00 H new ATOM 0 HG23 THR A 100 -11.800 7.613 1.891 1.00 0.00 H new ATOM 1547 N ASP A 101 -11.296 6.824 -2.493 1.00 0.00 N ATOM 1548 CA ASP A 101 -12.173 6.502 -3.614 1.00 0.00 C ATOM 1549 C ASP A 101 -12.324 4.998 -3.804 1.00 0.00 C ATOM 1550 O ASP A 101 -13.437 4.495 -3.928 1.00 0.00 O ATOM 1551 CB ASP A 101 -11.642 7.183 -4.900 1.00 0.00 C ATOM 1552 CG ASP A 101 -12.091 6.526 -6.190 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -13.293 6.457 -6.463 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -11.220 6.031 -6.939 1.00 0.00 O1- ATOM 0 H ASP A 101 -10.560 7.486 -2.741 1.00 0.00 H new ATOM 0 HA ASP A 101 -13.169 6.887 -3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.966 8.224 -4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.552 7.188 -4.870 1.00 0.00 H new ATOM 1559 N GLU A 102 -11.229 4.276 -3.797 1.00 0.00 N ATOM 1560 CA GLU A 102 -11.296 2.836 -3.984 1.00 0.00 C ATOM 1561 C GLU A 102 -11.968 2.152 -2.805 1.00 0.00 C ATOM 1562 O GLU A 102 -13.019 1.527 -2.963 1.00 0.00 O ATOM 1563 CB GLU A 102 -9.912 2.235 -4.231 1.00 0.00 C ATOM 1564 CG GLU A 102 -9.191 2.792 -5.445 1.00 0.00 C ATOM 1565 CD GLU A 102 -9.892 2.545 -6.782 1.00 0.00 C ATOM 1566 OE1 GLU A 102 -11.127 2.423 -6.821 1.00 0.00 O ATOM 1567 OE2 GLU A 102 -9.198 2.598 -7.817 1.00 0.00 O1- ATOM 0 H GLU A 102 -10.289 4.650 -3.666 1.00 0.00 H new ATOM 0 HA GLU A 102 -11.904 2.660 -4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -9.294 2.403 -3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.014 1.156 -4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.063 3.866 -5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.193 2.355 -5.489 1.00 0.00 H new ATOM 1574 N VAL A 103 -11.409 2.353 -1.619 1.00 0.00 N ATOM 1575 CA VAL A 103 -11.863 1.684 -0.393 1.00 0.00 C ATOM 1576 C VAL A 103 -13.374 1.862 -0.149 1.00 0.00 C ATOM 1577 O VAL A 103 -14.088 0.899 0.113 1.00 0.00 O ATOM 1578 CB VAL A 103 -11.060 2.176 0.850 1.00 0.00 C ATOM 1579 CG1 VAL A 103 -11.539 1.495 2.125 1.00 0.00 C ATOM 1580 CG2 VAL A 103 -9.569 1.930 0.655 1.00 0.00 C ATOM 0 H VAL A 103 -10.623 2.987 -1.473 1.00 0.00 H new ATOM 0 HA VAL A 103 -11.675 0.620 -0.538 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.233 3.247 0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -10.959 1.860 2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -12.594 1.720 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -11.408 0.417 2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.025 2.280 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.391 0.863 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -9.223 2.471 -0.226 1.00 0.00 H new ATOM 1590 N LEU A 104 -13.858 3.063 -0.303 1.00 0.00 N ATOM 1591 CA LEU A 104 -15.255 3.335 -0.035 1.00 0.00 C ATOM 1592 C LEU A 104 -16.209 2.818 -1.146 1.00 0.00 C ATOM 1593 O LEU A 104 -17.414 2.701 -0.901 1.00 0.00 O ATOM 1594 CB LEU A 104 -15.506 4.832 0.245 1.00 0.00 C ATOM 1595 CG LEU A 104 -15.174 5.355 1.668 1.00 0.00 C ATOM 1596 CD1 LEU A 104 -13.709 5.165 2.040 1.00 0.00 C ATOM 1597 CD2 LEU A 104 -15.573 6.815 1.801 1.00 0.00 C ATOM 0 H LEU A 104 -13.315 3.870 -0.611 1.00 0.00 H new ATOM 0 HA LEU A 104 -15.491 2.771 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.924 5.411 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -16.557 5.041 0.045 1.00 0.00 H new ATOM 0 HG LEU A 104 -15.755 4.757 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.536 5.549 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -13.460 4.104 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.081 5.706 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -15.334 7.168 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.028 7.409 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -16.644 6.917 1.626 1.00 0.00 H new ATOM 1609 N LYS A 105 -15.696 2.521 -2.357 1.00 0.00 N ATOM 1610 CA LYS A 105 -16.569 1.993 -3.433 1.00 0.00 C ATOM 1611 C LYS A 105 -16.828 0.512 -3.265 1.00 0.00 C ATOM 1612 O LYS A 105 -17.944 0.043 -3.462 1.00 0.00 O ATOM 1613 CB LYS A 105 -16.048 2.250 -4.838 1.00 0.00 C ATOM 1614 CG LYS A 105 -16.051 3.705 -5.290 1.00 0.00 C ATOM 1615 CD LYS A 105 -15.795 3.830 -6.804 1.00 0.00 C ATOM 1616 CE LYS A 105 -14.479 3.179 -7.247 1.00 0.00 C ATOM 1617 NZ LYS A 105 -13.315 3.812 -6.636 1.00 0.00 N1+ ATOM 0 H LYS A 105 -14.715 2.632 -2.613 1.00 0.00 H new ATOM 0 HA LYS A 105 -17.500 2.549 -3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.028 1.871 -4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -16.648 1.670 -5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -17.010 4.161 -5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.286 4.258 -4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.621 3.370 -7.345 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.782 4.885 -7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.494 2.121 -6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.394 3.238 -8.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.459 3.276 -6.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.227 4.787 -6.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.429 3.824 -5.602 1.00 0.00 H new ATOM 1631 N LEU A 106 -15.794 -0.209 -2.866 1.00 0.00 N ATOM 1632 CA LEU A 106 -15.854 -1.660 -2.621 1.00 0.00 C ATOM 1633 C LEU A 106 -16.832 -2.043 -1.508 1.00 0.00 C ATOM 1634 O LEU A 106 -17.080 -3.196 -1.322 1.00 0.00 O ATOM 1635 CB LEU A 106 -14.459 -2.286 -2.383 1.00 0.00 C ATOM 1636 CG LEU A 106 -13.534 -2.523 -3.614 1.00 0.00 C ATOM 1637 CD1 LEU A 106 -14.199 -3.414 -4.648 1.00 0.00 C ATOM 1638 CD2 LEU A 106 -13.057 -1.233 -4.250 1.00 0.00 C ATOM 0 H LEU A 106 -14.872 0.192 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 106 -16.246 -2.087 -3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -13.923 -1.645 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -14.606 -3.246 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 106 -12.651 -3.036 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -13.525 -3.557 -5.492 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -14.431 -4.380 -4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -15.120 -2.945 -4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.417 -1.462 -5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -13.917 -0.654 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.494 -0.653 -3.519 1.00 0.00 H new ATOM 1650 N ARG A 107 -17.367 -1.043 -0.777 1.00 0.00 N ATOM 1651 CA ARG A 107 -18.301 -1.219 0.386 1.00 0.00 C ATOM 1652 C ARG A 107 -19.348 -2.355 0.212 1.00 0.00 C ATOM 1653 O ARG A 107 -19.719 -2.985 1.193 1.00 0.00 O ATOM 1654 CB ARG A 107 -19.043 0.096 0.697 1.00 0.00 C ATOM 1655 CG ARG A 107 -20.003 0.563 -0.405 1.00 0.00 C ATOM 1656 CD ARG A 107 -20.773 1.816 0.001 1.00 0.00 C ATOM 1657 NE ARG A 107 -19.899 2.984 0.178 1.00 0.00 N ATOM 1658 CZ ARG A 107 -20.254 4.145 0.754 1.00 0.00 C ATOM 1659 NH1 ARG A 107 -21.490 4.305 1.255 1.00 0.00 N1+ ATOM 1660 NH2 ARG A 107 -19.371 5.144 0.826 1.00 0.00 N ATOM 0 H ARG A 107 -17.165 -0.063 -0.973 1.00 0.00 H new ATOM 0 HA ARG A 107 -17.656 -1.509 1.215 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -19.606 -0.030 1.622 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -18.307 0.880 0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -19.439 0.763 -1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -20.707 -0.237 -0.635 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -21.522 2.039 -0.758 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -21.309 1.624 0.931 1.00 0.00 H new ATOM 0 HE ARG A 107 -18.942 2.907 -0.165 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -22.165 3.543 1.200 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -21.753 5.189 1.691 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -18.433 5.024 0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -19.635 6.027 1.262 1.00 0.00 H new ATOM 1674 N ASN A 108 -19.823 -2.586 -1.027 1.00 0.00 N ATOM 1675 CA ASN A 108 -20.767 -3.695 -1.325 1.00 0.00 C ATOM 1676 C ASN A 108 -20.172 -5.011 -0.891 1.00 0.00 C ATOM 1677 O ASN A 108 -20.768 -5.709 -0.117 1.00 0.00 O ATOM 1678 CB ASN A 108 -21.144 -3.702 -2.843 1.00 0.00 C ATOM 1679 CG ASN A 108 -21.646 -5.022 -3.443 1.00 0.00 C ATOM 1680 OD1 ASN A 108 -21.440 -5.266 -4.625 1.00 0.00 O ATOM 1681 ND2 ASN A 108 -22.308 -5.840 -2.682 1.00 0.00 N ATOM 0 H ASN A 108 -19.573 -2.024 -1.840 1.00 0.00 H new ATOM 0 HA ASN A 108 -21.688 -3.542 -0.762 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -21.913 -2.946 -3.002 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -20.267 -3.388 -3.409 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -22.672 -6.712 -3.066 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -22.464 -5.610 -1.701 1.00 0.00 H new ATOM 1688 N ILE A 109 -18.948 -5.215 -1.305 1.00 0.00 N ATOM 1689 CA ILE A 109 -18.122 -6.407 -1.092 1.00 0.00 C ATOM 1690 C ILE A 109 -18.079 -6.862 0.397 1.00 0.00 C ATOM 1691 O ILE A 109 -17.845 -8.038 0.713 1.00 0.00 O ATOM 1692 CB ILE A 109 -16.702 -6.108 -1.680 1.00 0.00 C ATOM 1693 CG1 ILE A 109 -16.766 -5.931 -3.212 1.00 0.00 C ATOM 1694 CG2 ILE A 109 -15.626 -7.086 -1.289 1.00 0.00 C ATOM 1695 CD1 ILE A 109 -17.323 -7.129 -3.970 1.00 0.00 C ATOM 0 H ILE A 109 -18.451 -4.505 -1.843 1.00 0.00 H new ATOM 0 HA ILE A 109 -18.565 -7.257 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 109 -16.399 -5.169 -1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -17.379 -5.059 -3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -15.763 -5.719 -3.582 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -14.682 -6.791 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -15.517 -7.092 -0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -15.899 -8.084 -1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -17.330 -6.913 -5.038 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -16.698 -8.002 -3.780 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -18.340 -7.331 -3.634 1.00 0.00 H new ATOM 1707 N LYS A 110 -18.269 -5.923 1.300 1.00 0.00 N ATOM 1708 CA LYS A 110 -18.260 -6.211 2.717 1.00 0.00 C ATOM 1709 C LYS A 110 -19.567 -6.956 3.164 1.00 0.00 C ATOM 1710 O LYS A 110 -19.622 -7.516 4.266 1.00 0.00 O ATOM 1711 CB LYS A 110 -18.001 -4.896 3.512 1.00 0.00 C ATOM 1712 CG LYS A 110 -17.839 -5.048 5.030 1.00 0.00 C ATOM 1713 CD LYS A 110 -19.156 -4.839 5.773 1.00 0.00 C ATOM 1714 CE LYS A 110 -19.031 -5.162 7.258 1.00 0.00 C ATOM 1715 NZ LYS A 110 -17.876 -4.489 7.888 1.00 0.00 N1+ ATOM 0 H LYS A 110 -18.433 -4.942 1.073 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.445 -6.899 2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -17.100 -4.427 3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -18.827 -4.211 3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -17.450 -6.041 5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.103 -4.329 5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -19.480 -3.805 5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -19.927 -5.468 5.329 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -19.946 -4.863 7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -18.933 -6.240 7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.991 -4.497 8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -17.001 -4.990 7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.822 -3.506 7.554 1.00 0.00 H new ATOM 1729 N LEU A 111 -20.570 -7.007 2.295 1.00 0.00 N ATOM 1730 CA LEU A 111 -21.849 -7.652 2.615 1.00 0.00 C ATOM 1731 C LEU A 111 -21.755 -9.158 2.434 1.00 0.00 C ATOM 1732 O LEU A 111 -21.948 -9.901 3.380 1.00 0.00 O ATOM 1733 CB LEU A 111 -22.987 -7.083 1.757 1.00 0.00 C ATOM 1734 CG LEU A 111 -23.259 -5.579 1.898 1.00 0.00 C ATOM 1735 CD1 LEU A 111 -24.359 -5.149 0.942 1.00 0.00 C ATOM 1736 CD2 LEU A 111 -23.633 -5.225 3.333 1.00 0.00 C ATOM 0 H LEU A 111 -20.527 -6.609 1.357 1.00 0.00 H new ATOM 0 HA LEU A 111 -22.073 -7.441 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -22.765 -7.294 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -23.903 -7.621 2.003 1.00 0.00 H new ATOM 0 HG LEU A 111 -22.345 -5.043 1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -24.541 -4.080 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -24.053 -5.360 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -25.273 -5.698 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -23.821 -4.154 3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -24.531 -5.771 3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -22.815 -5.496 4.000 1.00 0.00 H new ATOM 1748 N GLU A 112 -21.386 -9.604 1.242 1.00 0.00 N ATOM 1749 CA GLU A 112 -21.255 -11.042 0.947 1.00 0.00 C ATOM 1750 C GLU A 112 -19.966 -11.619 1.541 1.00 0.00 C ATOM 1751 O GLU A 112 -19.621 -12.787 1.366 1.00 0.00 O ATOM 1752 CB GLU A 112 -21.441 -11.391 -0.570 1.00 0.00 C ATOM 1753 CG GLU A 112 -20.632 -10.568 -1.584 1.00 0.00 C ATOM 1754 CD GLU A 112 -21.122 -9.140 -1.713 1.00 0.00 C ATOM 1755 OE1 GLU A 112 -20.667 -8.302 -0.931 1.00 0.00 O1- ATOM 1756 OE2 GLU A 112 -21.993 -8.865 -2.564 1.00 0.00 O ATOM 0 H GLU A 112 -21.169 -8.995 0.453 1.00 0.00 H new ATOM 0 HA GLU A 112 -22.088 -11.537 1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -21.187 -12.442 -0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -22.498 -11.284 -0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -19.584 -10.561 -1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -20.681 -11.053 -2.559 1.00 0.00 H new ATOM 1763 N HIS A 113 -19.286 -10.765 2.271 1.00 0.00 N ATOM 1764 CA HIS A 113 -18.134 -11.100 3.077 1.00 0.00 C ATOM 1765 C HIS A 113 -18.626 -11.857 4.330 1.00 0.00 C ATOM 1766 O HIS A 113 -17.862 -12.595 4.973 1.00 0.00 O ATOM 1767 CB HIS A 113 -17.443 -9.765 3.482 1.00 0.00 C ATOM 1768 CG HIS A 113 -16.230 -9.806 4.407 1.00 0.00 C ATOM 1769 ND1 HIS A 113 -15.930 -10.839 5.260 1.00 0.00 N ATOM 1770 CD2 HIS A 113 -15.284 -8.871 4.633 1.00 0.00 C ATOM 1771 CE1 HIS A 113 -14.868 -10.537 5.968 1.00 0.00 C ATOM 1772 NE2 HIS A 113 -14.456 -9.348 5.615 1.00 0.00 N ATOM 0 H HIS A 113 -19.531 -9.776 2.322 1.00 0.00 H new ATOM 0 HA HIS A 113 -17.428 -11.730 2.537 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -17.139 -9.261 2.564 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -18.196 -9.136 3.956 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -16.454 -11.711 5.332 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -15.195 -7.919 4.131 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -14.410 -11.166 6.717 1.00 0.00 H new ATOM 1781 N LEU A 114 -19.878 -11.669 4.663 1.00 0.00 N ATOM 1782 CA LEU A 114 -20.455 -12.245 5.850 1.00 0.00 C ATOM 1783 C LEU A 114 -21.829 -12.819 5.559 1.00 0.00 C ATOM 1784 O LEU A 114 -22.311 -12.731 4.431 1.00 0.00 O ATOM 1785 CB LEU A 114 -20.481 -11.190 6.996 1.00 0.00 C ATOM 1786 CG LEU A 114 -21.087 -9.793 6.679 1.00 0.00 C ATOM 1787 CD1 LEU A 114 -22.609 -9.823 6.517 1.00 0.00 C ATOM 1788 CD2 LEU A 114 -20.683 -8.785 7.743 1.00 0.00 C ATOM 0 H LEU A 114 -20.529 -11.108 4.114 1.00 0.00 H new ATOM 0 HA LEU A 114 -19.834 -13.077 6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -21.038 -11.615 7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -19.457 -11.041 7.338 1.00 0.00 H new ATOM 0 HG LEU A 114 -20.678 -9.486 5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -22.971 -8.819 6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -22.875 -10.492 5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -23.066 -10.180 7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -21.115 -7.813 7.506 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -21.047 -9.117 8.715 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -19.597 -8.702 7.771 1.00 0.00 H new ATOM 1800 N LYS A 115 -22.431 -13.411 6.561 1.00 0.00 N ATOM 1801 CA LYS A 115 -23.747 -13.963 6.478 1.00 0.00 C ATOM 1802 C LYS A 115 -24.164 -14.272 7.887 1.00 0.00 C ATOM 1803 O LYS A 115 -23.279 -14.693 8.675 1.00 0.00 O ATOM 1804 CB LYS A 115 -23.794 -15.267 5.623 1.00 0.00 C ATOM 1805 CG LYS A 115 -22.962 -16.437 6.188 1.00 0.00 C ATOM 1806 CD LYS A 115 -23.801 -17.713 6.410 1.00 0.00 C ATOM 1807 CE LYS A 115 -24.957 -17.509 7.412 1.00 0.00 C ATOM 1808 NZ LYS A 115 -24.496 -17.057 8.762 1.00 0.00 N1+ ATOM 1809 OXT LYS A 115 -25.349 -14.280 8.181 1.00 0.00 O1- ATOM 0 H LYS A 115 -22.001 -13.522 7.479 1.00 0.00 H new ATOM 0 HA LYS A 115 -24.413 -13.251 5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -24.832 -15.588 5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -23.440 -15.039 4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -22.144 -16.660 5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -22.512 -16.134 7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -24.210 -18.043 5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -23.151 -18.510 6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -25.653 -16.774 7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -25.507 -18.444 7.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -25.266 -16.545 9.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -24.226 -17.884 9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -23.675 -16.427 8.656 1.00 0.00 H new