USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 749 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 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 105 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Set 2.1: A 59 MET CE :methyl -128:sc= -10.1! (180deg=-8.7!) USER MOD Set 2.2: A 88 MET CE :methyl 141:sc= -17.9! (180deg=-19.3!) USER MOD Set 2.3: B 72 THR OG1 : rot 118:sc= 0.805 USER MOD Set 3.1: A 55 SER OG : rot 100:sc= 0.451 USER MOD Set 3.2: A 57 LYS NZ :NH3+ -148:sc= -0.0525 (180deg=-2.89!) USER MOD Set 4.1: A 51 THR OG1 : rot 5:sc= -1.83! USER MOD Set 4.2: A 97 MET CE :methyl -118:sc= -11.7! (180deg=-16.8!) USER MOD Set 5.1: A 28 THR OG1 : rot -157:sc= -5.51! USER MOD Set 5.2: A 39 THR OG1 : rot 180:sc= -1.7! USER MOD Set 6.1: A 13 SER OG : rot 180:sc=0.000319 USER MOD Set 6.2: A 32 THR OG1 : rot 180:sc= 0.0784 USER MOD Single : A 3 HIS : no HE2:sc= -7.16! C(o=-7.2!,f=-7.7!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -152:sc= -0.112 (180deg=-0.648) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= -1.01 USER MOD Single : A 31 SER OG : rot -41:sc= -1.05 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.325 X(o=-0.32,f=-0.12) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 36:sc= -0.0719 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.445 K(o=-0.45,f=-6.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -178:sc= -0.331 (180deg=-0.347) USER MOD Single : A 87 HIS : no HE2:sc= -3.36 K(o=-3.4,f=-4.6!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.18 X(o=-1.2,f=-1) USER MOD Single : A 102 MET CE :methyl -153:sc= -1.43 (180deg=-3.73!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -1.92 K(o=-1.9,f=-1.3!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -110:sc= 1.05 USER MOD Single : A 112 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.269) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 0.961 -14.138 4.032 1.00 0.00 N ATOM 29 CA HIS A 3 1.398 -13.470 2.810 1.00 0.00 C ATOM 30 C HIS A 3 0.328 -13.553 1.738 1.00 0.00 C ATOM 31 O HIS A 3 0.038 -12.571 1.055 1.00 0.00 O ATOM 32 CB HIS A 3 2.700 -14.093 2.303 1.00 0.00 C ATOM 33 CG HIS A 3 3.808 -14.075 3.311 1.00 0.00 C ATOM 34 ND1 HIS A 3 3.691 -14.630 4.568 1.00 0.00 N ATOM 35 CD2 HIS A 3 5.062 -13.566 3.242 1.00 0.00 C ATOM 36 CE1 HIS A 3 4.824 -14.463 5.228 1.00 0.00 C ATOM 37 NE2 HIS A 3 5.671 -13.821 4.446 1.00 0.00 N ATOM 0 HA HIS A 3 1.574 -12.419 3.040 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.508 -15.124 2.006 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.024 -13.559 1.410 1.00 0.00 H new ATOM 0 HD1 HIS A 3 2.860 -15.096 4.932 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.501 -13.055 2.398 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.023 -14.796 6.236 1.00 0.00 H new ATOM 46 N SER A 4 -0.260 -14.727 1.601 1.00 0.00 N ATOM 47 CA SER A 4 -1.307 -14.933 0.614 1.00 0.00 C ATOM 48 C SER A 4 -2.662 -14.542 1.181 1.00 0.00 C ATOM 49 O SER A 4 -3.030 -14.935 2.288 1.00 0.00 O ATOM 50 CB SER A 4 -1.346 -16.382 0.134 1.00 0.00 C ATOM 51 OG SER A 4 -0.042 -16.869 -0.133 1.00 0.00 O ATOM 0 H SER A 4 -0.032 -15.551 2.158 1.00 0.00 H new ATOM 0 HA SER A 4 -1.079 -14.296 -0.241 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.822 -17.006 0.891 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.955 -16.453 -0.767 1.00 0.00 H new ATOM 0 HG SER A 4 -0.096 -17.799 -0.437 1.00 0.00 H new ATOM 57 N GLY A 5 -3.390 -13.763 0.405 1.00 0.00 N ATOM 58 CA GLY A 5 -4.700 -13.306 0.806 1.00 0.00 C ATOM 59 C GLY A 5 -5.492 -12.846 -0.391 1.00 0.00 C ATOM 60 O GLY A 5 -5.001 -12.908 -1.516 1.00 0.00 O ATOM 0 H GLY A 5 -3.091 -13.433 -0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.232 -14.111 1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.603 -12.488 1.520 1.00 0.00 H new ATOM 64 N ALA A 6 -6.710 -12.386 -0.171 1.00 0.00 N ATOM 65 CA ALA A 6 -7.533 -11.921 -1.274 1.00 0.00 C ATOM 66 C ALA A 6 -7.538 -10.404 -1.350 1.00 0.00 C ATOM 67 O ALA A 6 -7.576 -9.716 -0.330 1.00 0.00 O ATOM 68 CB ALA A 6 -8.946 -12.462 -1.160 1.00 0.00 C ATOM 0 H ALA A 6 -7.148 -12.324 0.748 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.099 -12.301 -2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.543 -12.100 -1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.921 -13.552 -1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.391 -12.124 -0.224 1.00 0.00 H new ATOM 74 N ALA A 7 -7.491 -9.891 -2.571 1.00 0.00 N ATOM 75 CA ALA A 7 -7.481 -8.455 -2.796 1.00 0.00 C ATOM 76 C ALA A 7 -8.246 -8.094 -4.056 1.00 0.00 C ATOM 77 O ALA A 7 -8.352 -8.903 -4.978 1.00 0.00 O ATOM 78 CB ALA A 7 -6.049 -7.949 -2.881 1.00 0.00 C ATOM 0 H ALA A 7 -7.459 -10.451 -3.423 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.977 -7.974 -1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.053 -6.872 -3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.530 -8.168 -1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.537 -8.444 -3.706 1.00 0.00 H new ATOM 84 N ILE A 8 -8.781 -6.880 -4.104 1.00 0.00 N ATOM 85 CA ILE A 8 -9.525 -6.443 -5.270 1.00 0.00 C ATOM 86 C ILE A 8 -9.095 -5.052 -5.714 1.00 0.00 C ATOM 87 O ILE A 8 -8.820 -4.177 -4.893 1.00 0.00 O ATOM 88 CB ILE A 8 -11.038 -6.451 -5.011 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.506 -7.860 -4.671 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.775 -5.938 -6.236 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.691 -7.883 -3.736 1.00 0.00 C ATOM 0 H ILE A 8 -8.713 -6.190 -3.356 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.303 -7.153 -6.066 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.255 -5.797 -4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.768 -8.381 -5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.682 -8.410 -4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.848 -5.946 -6.045 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.453 -4.920 -6.454 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.553 -6.579 -7.089 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.975 -8.916 -3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.426 -7.389 -2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.529 -7.360 -4.198 1.00 0.00 H new ATOM 103 N PHE A 9 -9.042 -4.861 -7.024 1.00 0.00 N ATOM 104 CA PHE A 9 -8.646 -3.583 -7.596 1.00 0.00 C ATOM 105 C PHE A 9 -9.459 -3.276 -8.852 1.00 0.00 C ATOM 106 O PHE A 9 -9.701 -4.157 -9.677 1.00 0.00 O ATOM 107 CB PHE A 9 -7.153 -3.596 -7.921 1.00 0.00 C ATOM 108 CG PHE A 9 -6.662 -2.316 -8.530 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.828 -2.075 -9.883 1.00 0.00 C ATOM 110 CD2 PHE A 9 -6.037 -1.356 -7.752 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.380 -0.897 -10.450 1.00 0.00 C ATOM 112 CE2 PHE A 9 -5.586 -0.176 -8.312 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.758 0.054 -9.664 1.00 0.00 C ATOM 0 H PHE A 9 -9.269 -5.578 -7.713 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.843 -2.800 -6.863 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.592 -3.793 -7.007 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.945 -4.418 -8.606 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.313 -2.815 -10.502 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.900 -1.532 -6.695 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.516 -0.720 -11.507 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.100 0.565 -7.695 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.407 0.975 -10.105 1.00 0.00 H new ATOM 123 N GLU A 10 -9.881 -2.020 -8.988 1.00 0.00 N ATOM 124 CA GLU A 10 -10.673 -1.592 -10.138 1.00 0.00 C ATOM 125 C GLU A 10 -11.832 -2.549 -10.397 1.00 0.00 C ATOM 126 O GLU A 10 -12.156 -2.858 -11.544 1.00 0.00 O ATOM 127 CB GLU A 10 -9.793 -1.477 -11.383 1.00 0.00 C ATOM 128 CG GLU A 10 -9.353 -0.054 -11.675 1.00 0.00 C ATOM 129 CD GLU A 10 -8.445 0.042 -12.885 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.869 -0.994 -13.278 1.00 0.00 O ATOM 131 OE2 GLU A 10 -8.311 1.153 -13.440 1.00 0.00 O ATOM 0 H GLU A 10 -9.687 -1.280 -8.314 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.089 -0.611 -9.910 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.911 -2.104 -11.256 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.339 -1.865 -12.243 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.233 0.568 -11.837 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.835 0.347 -10.804 1.00 0.00 H new ATOM 138 N LYS A 11 -12.457 -3.009 -9.320 1.00 0.00 N ATOM 139 CA LYS A 11 -13.587 -3.926 -9.421 1.00 0.00 C ATOM 140 C LYS A 11 -13.154 -5.285 -9.965 1.00 0.00 C ATOM 141 O LYS A 11 -13.984 -6.072 -10.419 1.00 0.00 O ATOM 142 CB LYS A 11 -14.683 -3.333 -10.315 1.00 0.00 C ATOM 143 CG LYS A 11 -14.733 -1.812 -10.302 1.00 0.00 C ATOM 144 CD LYS A 11 -16.092 -1.295 -10.746 1.00 0.00 C ATOM 145 CE LYS A 11 -16.095 -0.932 -12.222 1.00 0.00 C ATOM 146 NZ LYS A 11 -15.155 0.184 -12.521 1.00 0.00 N ATOM 0 H LYS A 11 -12.200 -2.762 -8.364 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.984 -4.070 -8.416 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.527 -3.673 -11.339 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.650 -3.721 -9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.515 -1.448 -9.298 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.959 -1.416 -10.960 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.851 -2.054 -10.555 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.360 -0.420 -10.154 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.820 -1.806 -12.812 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.103 -0.648 -12.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.494 0.711 -13.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.104 0.824 -11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.210 -0.202 -12.718 1.00 0.00 H new ATOM 160 N VAL A 12 -11.855 -5.566 -9.902 1.00 0.00 N ATOM 161 CA VAL A 12 -11.328 -6.838 -10.373 1.00 0.00 C ATOM 162 C VAL A 12 -10.758 -7.619 -9.201 1.00 0.00 C ATOM 163 O VAL A 12 -9.817 -7.168 -8.551 1.00 0.00 O ATOM 164 CB VAL A 12 -10.231 -6.643 -11.437 1.00 0.00 C ATOM 165 CG1 VAL A 12 -9.838 -7.979 -12.049 1.00 0.00 C ATOM 166 CG2 VAL A 12 -10.694 -5.672 -12.514 1.00 0.00 C ATOM 0 H VAL A 12 -11.151 -4.929 -9.529 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.149 -7.389 -10.831 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.353 -6.218 -10.951 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.062 -7.822 -12.798 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.460 -8.640 -11.269 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.710 -8.434 -12.519 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.905 -5.548 -13.256 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.588 -6.065 -12.998 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.921 -4.707 -12.061 1.00 0.00 H new ATOM 176 N SER A 13 -11.345 -8.775 -8.911 1.00 0.00 N ATOM 177 CA SER A 13 -10.893 -9.584 -7.789 1.00 0.00 C ATOM 178 C SER A 13 -9.762 -10.524 -8.175 1.00 0.00 C ATOM 179 O SER A 13 -9.638 -10.941 -9.325 1.00 0.00 O ATOM 180 CB SER A 13 -12.051 -10.380 -7.191 1.00 0.00 C ATOM 181 OG SER A 13 -12.741 -11.109 -8.191 1.00 0.00 O ATOM 0 H SER A 13 -12.128 -9.169 -9.433 1.00 0.00 H new ATOM 0 HA SER A 13 -10.508 -8.893 -7.039 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.672 -11.066 -6.434 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.742 -9.702 -6.690 1.00 0.00 H new ATOM 0 HG SER A 13 -13.476 -11.611 -7.781 1.00 0.00 H new ATOM 187 N GLY A 14 -8.936 -10.829 -7.183 1.00 0.00 N ATOM 188 CA GLY A 14 -7.792 -11.696 -7.372 1.00 0.00 C ATOM 189 C GLY A 14 -7.163 -12.067 -6.046 1.00 0.00 C ATOM 190 O GLY A 14 -7.655 -11.664 -4.992 1.00 0.00 O ATOM 0 H GLY A 14 -9.044 -10.481 -6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.100 -12.600 -7.897 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.054 -11.198 -8.001 1.00 0.00 H new ATOM 194 N ILE A 15 -6.076 -12.825 -6.084 1.00 0.00 N ATOM 195 CA ILE A 15 -5.401 -13.224 -4.859 1.00 0.00 C ATOM 196 C ILE A 15 -4.094 -12.463 -4.719 1.00 0.00 C ATOM 197 O ILE A 15 -3.329 -12.327 -5.673 1.00 0.00 O ATOM 198 CB ILE A 15 -5.110 -14.741 -4.812 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.239 -15.527 -5.485 1.00 0.00 C ATOM 200 CG2 ILE A 15 -4.927 -15.200 -3.370 1.00 0.00 C ATOM 201 CD1 ILE A 15 -5.978 -15.830 -6.944 1.00 0.00 C ATOM 0 H ILE A 15 -5.647 -13.173 -6.941 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.072 -12.987 -4.033 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.186 -14.933 -5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.388 -16.464 -4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.166 -14.960 -5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.723 -16.271 -3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.091 -14.664 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.836 -14.995 -2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.819 -16.388 -7.356 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.858 -14.896 -7.494 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.068 -16.424 -7.035 1.00 0.00 H new ATOM 213 N ILE A 16 -3.871 -11.942 -3.524 1.00 0.00 N ATOM 214 CA ILE A 16 -2.688 -11.155 -3.230 1.00 0.00 C ATOM 215 C ILE A 16 -1.699 -11.961 -2.388 1.00 0.00 C ATOM 216 O ILE A 16 -2.063 -12.514 -1.353 1.00 0.00 O ATOM 217 CB ILE A 16 -3.095 -9.870 -2.483 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.879 -9.004 -2.172 1.00 0.00 C ATOM 219 CG2 ILE A 16 -3.856 -10.210 -1.208 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.201 -7.528 -2.122 1.00 0.00 C ATOM 0 H ILE A 16 -4.505 -12.053 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.201 -10.889 -4.168 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.754 -9.297 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.457 -9.311 -1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.113 -9.178 -2.928 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.135 -9.290 -0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.755 -10.772 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.223 -10.812 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.295 -6.965 -1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.596 -7.209 -3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.945 -7.344 -1.347 1.00 0.00 H new ATOM 232 N ALA A 17 -0.454 -12.056 -2.853 1.00 0.00 N ATOM 233 CA ALA A 17 0.559 -12.836 -2.142 1.00 0.00 C ATOM 234 C ALA A 17 1.921 -12.148 -2.102 1.00 0.00 C ATOM 235 O ALA A 17 2.314 -11.469 -3.048 1.00 0.00 O ATOM 236 CB ALA A 17 0.705 -14.193 -2.806 1.00 0.00 C ATOM 0 H ALA A 17 -0.125 -11.609 -3.708 1.00 0.00 H new ATOM 0 HA ALA A 17 0.219 -12.939 -1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.459 -14.777 -2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.249 -14.719 -2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.010 -14.059 -3.844 1.00 0.00 H new ATOM 242 N ILE A 18 2.650 -12.362 -1.005 1.00 0.00 N ATOM 243 CA ILE A 18 3.985 -11.795 -0.845 1.00 0.00 C ATOM 244 C ILE A 18 5.052 -12.842 -1.152 1.00 0.00 C ATOM 245 O ILE A 18 4.880 -14.025 -0.859 1.00 0.00 O ATOM 246 CB ILE A 18 4.215 -11.249 0.577 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.090 -10.295 0.971 1.00 0.00 C ATOM 248 CG2 ILE A 18 5.563 -10.548 0.665 1.00 0.00 C ATOM 249 CD1 ILE A 18 2.828 -10.260 2.458 1.00 0.00 C ATOM 0 H ILE A 18 2.335 -12.925 -0.215 1.00 0.00 H new ATOM 0 HA ILE A 18 4.061 -10.967 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 18 4.216 -12.087 1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.339 -9.290 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.176 -10.590 0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.710 -10.168 1.676 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.357 -11.255 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.589 -9.719 -0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.017 -9.563 2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.548 -11.256 2.802 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.729 -9.936 2.979 1.00 0.00 H new ATOM 261 N ASN A 19 6.149 -12.397 -1.749 1.00 0.00 N ATOM 262 CA ASN A 19 7.249 -13.286 -2.108 1.00 0.00 C ATOM 263 C ASN A 19 8.553 -12.824 -1.483 1.00 0.00 C ATOM 264 O ASN A 19 9.108 -11.794 -1.865 1.00 0.00 O ATOM 265 CB ASN A 19 7.398 -13.353 -3.629 1.00 0.00 C ATOM 266 CG ASN A 19 6.549 -14.447 -4.246 1.00 0.00 C ATOM 267 OD1 ASN A 19 5.386 -14.229 -4.586 1.00 0.00 O ATOM 268 ND2 ASN A 19 7.128 -15.633 -4.393 1.00 0.00 N ATOM 0 H ASN A 19 6.303 -11.420 -1.997 1.00 0.00 H new ATOM 0 HA ASN A 19 7.018 -14.279 -1.724 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.118 -12.392 -4.061 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.445 -13.523 -3.882 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.606 -16.408 -4.802 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.095 -15.769 -4.097 1.00 0.00 H new ATOM 275 N GLU A 20 9.047 -13.610 -0.533 1.00 0.00 N ATOM 276 CA GLU A 20 10.301 -13.303 0.137 1.00 0.00 C ATOM 277 C GLU A 20 11.379 -14.274 -0.315 1.00 0.00 C ATOM 278 O GLU A 20 12.319 -14.575 0.421 1.00 0.00 O ATOM 279 CB GLU A 20 10.133 -13.362 1.656 1.00 0.00 C ATOM 280 CG GLU A 20 11.012 -12.372 2.404 1.00 0.00 C ATOM 281 CD GLU A 20 11.482 -12.907 3.742 1.00 0.00 C ATOM 282 OE1 GLU A 20 10.623 -13.288 4.564 1.00 0.00 O ATOM 283 OE2 GLU A 20 12.710 -12.943 3.969 1.00 0.00 O ATOM 0 H GLU A 20 8.596 -14.466 -0.210 1.00 0.00 H new ATOM 0 HA GLU A 20 10.600 -12.290 -0.131 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.090 -13.170 1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.362 -14.371 2.000 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.879 -12.125 1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.458 -11.446 2.561 1.00 0.00 H new ATOM 290 N ASP A 21 11.227 -14.753 -1.541 1.00 0.00 N ATOM 291 CA ASP A 21 12.175 -15.692 -2.127 1.00 0.00 C ATOM 292 C ASP A 21 13.117 -14.975 -3.088 1.00 0.00 C ATOM 293 O ASP A 21 14.241 -15.420 -3.320 1.00 0.00 O ATOM 294 CB ASP A 21 11.433 -16.810 -2.860 1.00 0.00 C ATOM 295 CG ASP A 21 10.781 -17.793 -1.907 1.00 0.00 C ATOM 296 OD1 ASP A 21 9.666 -17.502 -1.425 1.00 0.00 O ATOM 297 OD2 ASP A 21 11.385 -18.853 -1.643 1.00 0.00 O ATOM 0 H ASP A 21 10.450 -14.505 -2.154 1.00 0.00 H new ATOM 0 HA ASP A 21 12.765 -16.129 -1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.671 -16.374 -3.506 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.131 -17.343 -3.506 1.00 0.00 H new ATOM 302 N VAL A 22 12.654 -13.855 -3.637 1.00 0.00 N ATOM 303 CA VAL A 22 13.464 -13.072 -4.567 1.00 0.00 C ATOM 304 C VAL A 22 14.145 -11.917 -3.839 1.00 0.00 C ATOM 305 O VAL A 22 13.798 -11.604 -2.700 1.00 0.00 O ATOM 306 CB VAL A 22 12.630 -12.508 -5.744 1.00 0.00 C ATOM 307 CG1 VAL A 22 12.942 -13.262 -7.028 1.00 0.00 C ATOM 308 CG2 VAL A 22 11.137 -12.556 -5.445 1.00 0.00 C ATOM 0 H VAL A 22 11.727 -13.470 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 22 14.213 -13.750 -4.977 1.00 0.00 H new ATOM 0 HB VAL A 22 12.908 -11.462 -5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.347 -12.852 -7.844 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.001 -13.158 -7.263 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.702 -14.317 -6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.583 -12.152 -6.293 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.834 -13.588 -5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.925 -11.961 -4.556 1.00 0.00 H new ATOM 318 N SER A 23 15.116 -11.284 -4.496 1.00 0.00 N ATOM 319 CA SER A 23 15.834 -10.165 -3.890 1.00 0.00 C ATOM 320 C SER A 23 14.852 -9.145 -3.318 1.00 0.00 C ATOM 321 O SER A 23 14.736 -9.008 -2.100 1.00 0.00 O ATOM 322 CB SER A 23 16.768 -9.500 -4.901 1.00 0.00 C ATOM 323 OG SER A 23 16.499 -9.947 -6.219 1.00 0.00 O ATOM 0 H SER A 23 15.421 -11.524 -5.439 1.00 0.00 H new ATOM 0 HA SER A 23 16.442 -10.557 -3.075 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.651 -8.417 -4.850 1.00 0.00 H new ATOM 0 HB3 SER A 23 17.804 -9.721 -4.643 1.00 0.00 H new ATOM 0 HG SER A 23 17.109 -9.505 -6.845 1.00 0.00 H new ATOM 329 N PRO A 24 14.107 -8.425 -4.180 1.00 0.00 N ATOM 330 CA PRO A 24 13.127 -7.449 -3.721 1.00 0.00 C ATOM 331 C PRO A 24 11.842 -8.126 -3.293 1.00 0.00 C ATOM 332 O PRO A 24 10.910 -8.254 -4.087 1.00 0.00 O ATOM 333 CB PRO A 24 12.870 -6.596 -4.953 1.00 0.00 C ATOM 334 CG PRO A 24 13.074 -7.532 -6.096 1.00 0.00 C ATOM 335 CD PRO A 24 14.134 -8.515 -5.656 1.00 0.00 C ATOM 0 HA PRO A 24 13.480 -6.881 -2.860 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.860 -6.186 -4.950 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.557 -5.751 -5.003 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.147 -8.047 -6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.391 -6.992 -6.989 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.910 -9.525 -5.999 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.114 -8.252 -6.055 1.00 0.00 H new ATOM 343 N ALA A 25 11.793 -8.561 -2.040 1.00 0.00 N ATOM 344 CA ALA A 25 10.605 -9.227 -1.514 1.00 0.00 C ATOM 345 C ALA A 25 9.371 -8.485 -1.979 1.00 0.00 C ATOM 346 O ALA A 25 9.019 -7.448 -1.434 1.00 0.00 O ATOM 347 CB ALA A 25 10.642 -9.302 -0.001 1.00 0.00 C ATOM 0 H ALA A 25 12.557 -8.466 -1.371 1.00 0.00 H new ATOM 0 HA ALA A 25 10.579 -10.249 -1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.744 -9.803 0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.522 -9.862 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.686 -8.294 0.412 1.00 0.00 H new ATOM 353 N GLU A 26 8.760 -9.001 -3.028 1.00 0.00 N ATOM 354 CA GLU A 26 7.600 -8.362 -3.630 1.00 0.00 C ATOM 355 C GLU A 26 6.341 -9.204 -3.497 1.00 0.00 C ATOM 356 O GLU A 26 6.393 -10.356 -3.079 1.00 0.00 O ATOM 357 CB GLU A 26 7.893 -8.051 -5.093 1.00 0.00 C ATOM 358 CG GLU A 26 8.536 -9.203 -5.847 1.00 0.00 C ATOM 359 CD GLU A 26 8.139 -9.235 -7.310 1.00 0.00 C ATOM 360 OE1 GLU A 26 8.819 -8.576 -8.124 1.00 0.00 O ATOM 361 OE2 GLU A 26 7.149 -9.921 -7.642 1.00 0.00 O ATOM 0 H GLU A 26 9.048 -9.866 -3.485 1.00 0.00 H new ATOM 0 HA GLU A 26 7.410 -7.434 -3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.962 -7.778 -5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.550 -7.183 -5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.620 -9.123 -5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.252 -10.144 -5.376 1.00 0.00 H new ATOM 368 N LEU A 27 5.204 -8.607 -3.847 1.00 0.00 N ATOM 369 CA LEU A 27 3.927 -9.274 -3.758 1.00 0.00 C ATOM 370 C LEU A 27 3.166 -9.093 -5.059 1.00 0.00 C ATOM 371 O LEU A 27 3.143 -7.997 -5.619 1.00 0.00 O ATOM 372 CB LEU A 27 3.132 -8.702 -2.575 1.00 0.00 C ATOM 373 CG LEU A 27 1.607 -8.744 -2.706 1.00 0.00 C ATOM 374 CD1 LEU A 27 0.964 -8.963 -1.345 1.00 0.00 C ATOM 375 CD2 LEU A 27 1.094 -7.460 -3.342 1.00 0.00 C ATOM 0 H LEU A 27 5.152 -7.651 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 27 4.077 -10.341 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.414 -9.249 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.435 -7.666 -2.427 1.00 0.00 H new ATOM 0 HG LEU A 27 1.336 -9.579 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.120 -8.990 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.310 -9.908 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.240 -8.148 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.008 -7.505 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.374 -6.609 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.532 -7.345 -4.333 1.00 0.00 H new ATOM 387 N THR A 28 2.549 -10.160 -5.548 1.00 0.00 N ATOM 388 CA THR A 28 1.808 -10.068 -6.791 1.00 0.00 C ATOM 389 C THR A 28 0.355 -10.463 -6.607 1.00 0.00 C ATOM 390 O THR A 28 0.010 -11.291 -5.763 1.00 0.00 O ATOM 391 CB THR A 28 2.463 -10.906 -7.886 1.00 0.00 C ATOM 392 OG1 THR A 28 3.733 -10.383 -8.222 1.00 0.00 O ATOM 393 CG2 THR A 28 1.645 -10.988 -9.159 1.00 0.00 C ATOM 0 H THR A 28 2.548 -11.081 -5.110 1.00 0.00 H new ATOM 0 HA THR A 28 1.829 -9.024 -7.103 1.00 0.00 H new ATOM 0 HB THR A 28 2.545 -11.909 -7.468 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.977 -10.671 -9.126 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.172 -11.599 -9.892 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.677 -11.438 -8.941 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.497 -9.986 -9.562 1.00 0.00 H new ATOM 401 N TRP A 29 -0.481 -9.830 -7.404 1.00 0.00 N ATOM 402 CA TRP A 29 -1.915 -10.045 -7.371 1.00 0.00 C ATOM 403 C TRP A 29 -2.378 -10.803 -8.613 1.00 0.00 C ATOM 404 O TRP A 29 -1.993 -10.465 -9.728 1.00 0.00 O ATOM 405 CB TRP A 29 -2.596 -8.683 -7.291 1.00 0.00 C ATOM 406 CG TRP A 29 -4.071 -8.746 -7.103 1.00 0.00 C ATOM 407 CD1 TRP A 29 -4.740 -9.021 -5.948 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.064 -8.508 -8.100 1.00 0.00 C ATOM 409 NE1 TRP A 29 -6.093 -8.967 -6.167 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.317 -8.658 -7.479 1.00 0.00 C ATOM 411 CE3 TRP A 29 -5.017 -8.184 -9.459 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.511 -8.494 -8.163 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -6.213 -8.022 -10.139 1.00 0.00 C ATOM 414 CH2 TRP A 29 -7.443 -8.177 -9.489 1.00 0.00 C ATOM 0 H TRP A 29 -0.183 -9.146 -8.099 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.180 -10.649 -6.503 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.160 -8.120 -6.466 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.381 -8.128 -8.204 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.274 -9.248 -5.001 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.814 -9.131 -5.465 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.071 -8.063 -9.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.462 -8.613 -7.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.196 -7.772 -11.189 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.357 -8.043 -10.048 1.00 0.00 H new ATOM 425 N ARG A 30 -3.198 -11.830 -8.417 1.00 0.00 N ATOM 426 CA ARG A 30 -3.698 -12.628 -9.536 1.00 0.00 C ATOM 427 C ARG A 30 -5.222 -12.715 -9.515 1.00 0.00 C ATOM 428 O ARG A 30 -5.810 -13.210 -8.556 1.00 0.00 O ATOM 429 CB ARG A 30 -3.097 -14.034 -9.494 1.00 0.00 C ATOM 430 CG ARG A 30 -2.977 -14.686 -10.862 1.00 0.00 C ATOM 431 CD ARG A 30 -4.299 -15.289 -11.309 1.00 0.00 C ATOM 432 NE ARG A 30 -4.170 -16.018 -12.568 1.00 0.00 N ATOM 433 CZ ARG A 30 -4.094 -15.431 -13.761 1.00 0.00 C ATOM 434 NH1 ARG A 30 -4.133 -14.108 -13.861 1.00 0.00 N ATOM 435 NH2 ARG A 30 -3.977 -16.169 -14.856 1.00 0.00 N ATOM 0 H ARG A 30 -3.530 -12.130 -7.500 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.396 -12.135 -10.460 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.109 -13.984 -9.037 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.713 -14.664 -8.853 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.648 -13.946 -11.592 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.213 -15.463 -10.830 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.670 -15.963 -10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.039 -14.497 -11.423 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.136 -17.037 -12.531 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.222 -13.535 -13.021 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.074 -13.664 -14.777 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.945 -17.186 -14.785 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.919 -15.720 -15.770 1.00 0.00 H new ATOM 449 N SER A 31 -5.859 -12.234 -10.580 1.00 0.00 N ATOM 450 CA SER A 31 -7.313 -12.261 -10.673 1.00 0.00 C ATOM 451 C SER A 31 -7.849 -13.684 -10.550 1.00 0.00 C ATOM 452 O SER A 31 -7.303 -14.617 -11.138 1.00 0.00 O ATOM 453 CB SER A 31 -7.773 -11.645 -11.995 1.00 0.00 C ATOM 454 OG SER A 31 -7.078 -10.440 -12.266 1.00 0.00 O ATOM 0 H SER A 31 -5.391 -11.822 -11.388 1.00 0.00 H new ATOM 0 HA SER A 31 -7.710 -11.673 -9.845 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.608 -12.354 -12.807 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.845 -11.449 -11.955 1.00 0.00 H new ATOM 0 HG SER A 31 -6.986 -9.922 -11.439 1.00 0.00 H new ATOM 460 N THR A 32 -8.927 -13.838 -9.788 1.00 0.00 N ATOM 461 CA THR A 32 -9.547 -15.144 -9.592 1.00 0.00 C ATOM 462 C THR A 32 -10.558 -15.426 -10.696 1.00 0.00 C ATOM 463 O THR A 32 -10.809 -16.578 -11.049 1.00 0.00 O ATOM 464 CB THR A 32 -10.230 -15.209 -8.224 1.00 0.00 C ATOM 465 OG1 THR A 32 -10.436 -13.909 -7.702 1.00 0.00 O ATOM 466 CG2 THR A 32 -9.443 -15.995 -7.198 1.00 0.00 C ATOM 0 H THR A 32 -9.390 -13.074 -9.296 1.00 0.00 H new ATOM 0 HA THR A 32 -8.767 -15.904 -9.632 1.00 0.00 H new ATOM 0 HB THR A 32 -11.177 -15.718 -8.400 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.875 -13.973 -6.828 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.984 -16.001 -6.252 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.311 -17.019 -7.547 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.467 -15.532 -7.055 1.00 0.00 H new ATOM 505 N LYS A 36 -6.218 -11.459 -15.031 1.00 0.00 N ATOM 506 CA LYS A 36 -5.203 -10.422 -14.915 1.00 0.00 C ATOM 507 C LYS A 36 -4.325 -10.679 -13.697 1.00 0.00 C ATOM 508 O LYS A 36 -4.721 -11.381 -12.768 1.00 0.00 O ATOM 509 CB LYS A 36 -5.858 -9.035 -14.841 1.00 0.00 C ATOM 510 CG LYS A 36 -5.472 -8.213 -13.618 1.00 0.00 C ATOM 511 CD LYS A 36 -6.290 -6.935 -13.526 1.00 0.00 C ATOM 512 CE LYS A 36 -5.448 -5.769 -13.035 1.00 0.00 C ATOM 513 NZ LYS A 36 -5.971 -4.462 -13.520 1.00 0.00 N ATOM 0 HA LYS A 36 -4.571 -10.448 -15.802 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.592 -8.474 -15.737 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.941 -9.159 -14.852 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.621 -8.808 -12.717 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.412 -7.965 -13.665 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.707 -6.697 -14.505 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.131 -7.088 -12.850 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.428 -5.770 -11.945 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.420 -5.896 -13.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.369 -3.693 -13.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.967 -4.451 -14.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.943 -4.328 -13.176 1.00 0.00 H new ATOM 527 N VAL A 37 -3.130 -10.111 -13.714 1.00 0.00 N ATOM 528 CA VAL A 37 -2.191 -10.282 -12.615 1.00 0.00 C ATOM 529 C VAL A 37 -1.359 -9.020 -12.401 1.00 0.00 C ATOM 530 O VAL A 37 -0.729 -8.519 -13.332 1.00 0.00 O ATOM 531 CB VAL A 37 -1.257 -11.485 -12.871 1.00 0.00 C ATOM 532 CG1 VAL A 37 -0.678 -11.419 -14.276 1.00 0.00 C ATOM 533 CG2 VAL A 37 -0.146 -11.559 -11.828 1.00 0.00 C ATOM 0 H VAL A 37 -2.786 -9.527 -14.477 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.774 -10.473 -11.714 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.850 -12.395 -12.784 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.022 -12.274 -14.440 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.488 -11.438 -15.005 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.108 -10.497 -14.392 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.493 -12.417 -12.037 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.448 -10.646 -11.864 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.585 -11.667 -10.836 1.00 0.00 H new ATOM 543 N HIS A 38 -1.352 -8.513 -11.171 1.00 0.00 N ATOM 544 CA HIS A 38 -0.584 -7.318 -10.853 1.00 0.00 C ATOM 545 C HIS A 38 0.503 -7.620 -9.825 1.00 0.00 C ATOM 546 O HIS A 38 0.224 -7.841 -8.650 1.00 0.00 O ATOM 547 CB HIS A 38 -1.508 -6.218 -10.326 1.00 0.00 C ATOM 548 CG HIS A 38 -1.115 -4.843 -10.770 1.00 0.00 C ATOM 549 ND1 HIS A 38 -1.474 -3.701 -10.085 1.00 0.00 N ATOM 550 CD2 HIS A 38 -0.390 -4.429 -11.836 1.00 0.00 C ATOM 551 CE1 HIS A 38 -0.987 -2.644 -10.712 1.00 0.00 C ATOM 552 NE2 HIS A 38 -0.325 -3.059 -11.776 1.00 0.00 N ATOM 0 H HIS A 38 -1.867 -8.910 -10.385 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.104 -6.974 -11.769 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.526 -6.421 -10.657 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.515 -6.251 -9.237 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.054 -5.059 -12.592 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.110 -1.616 -10.406 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.157 -2.459 -12.445 1.00 0.00 H new ATOM 561 N THR A 39 1.743 -7.597 -10.286 1.00 0.00 N ATOM 562 CA THR A 39 2.911 -7.847 -9.436 1.00 0.00 C ATOM 563 C THR A 39 3.464 -6.524 -8.915 1.00 0.00 C ATOM 564 O THR A 39 4.073 -5.762 -9.665 1.00 0.00 O ATOM 565 CB THR A 39 3.997 -8.562 -10.249 1.00 0.00 C ATOM 566 OG1 THR A 39 3.578 -9.861 -10.622 1.00 0.00 O ATOM 567 CG2 THR A 39 5.317 -8.696 -9.517 1.00 0.00 C ATOM 0 H THR A 39 1.975 -7.405 -11.260 1.00 0.00 H new ATOM 0 HA THR A 39 2.611 -8.472 -8.595 1.00 0.00 H new ATOM 0 HB THR A 39 4.153 -7.931 -11.124 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.286 -10.297 -11.140 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.036 -9.212 -10.154 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.698 -7.705 -9.269 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.169 -9.268 -8.601 1.00 0.00 H new ATOM 575 N VAL A 40 3.261 -6.257 -7.633 1.00 0.00 N ATOM 576 CA VAL A 40 3.757 -5.027 -7.033 1.00 0.00 C ATOM 577 C VAL A 40 5.066 -5.288 -6.305 1.00 0.00 C ATOM 578 O VAL A 40 5.085 -5.964 -5.277 1.00 0.00 O ATOM 579 CB VAL A 40 2.743 -4.424 -6.045 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.196 -3.043 -5.595 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.356 -4.364 -6.670 1.00 0.00 C ATOM 0 H VAL A 40 2.759 -6.871 -6.992 1.00 0.00 H new ATOM 0 HA VAL A 40 3.915 -4.314 -7.842 1.00 0.00 H new ATOM 0 HB VAL A 40 2.690 -5.068 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.468 -2.631 -4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.166 -3.120 -5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.279 -2.387 -6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.653 -3.935 -5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.387 -3.744 -7.566 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.033 -5.370 -6.936 1.00 0.00 H new ATOM 591 N VAL A 41 6.165 -4.765 -6.841 1.00 0.00 N ATOM 592 CA VAL A 41 7.462 -4.977 -6.219 1.00 0.00 C ATOM 593 C VAL A 41 7.624 -4.136 -4.968 1.00 0.00 C ATOM 594 O VAL A 41 7.947 -2.950 -5.033 1.00 0.00 O ATOM 595 CB VAL A 41 8.642 -4.701 -7.168 1.00 0.00 C ATOM 596 CG1 VAL A 41 9.927 -5.294 -6.595 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.360 -5.263 -8.553 1.00 0.00 C ATOM 0 H VAL A 41 6.182 -4.201 -7.691 1.00 0.00 H new ATOM 0 HA VAL A 41 7.484 -6.034 -5.956 1.00 0.00 H new ATOM 0 HB VAL A 41 8.769 -3.622 -7.262 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.755 -5.093 -7.275 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.135 -4.842 -5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.809 -6.371 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.206 -5.057 -9.208 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.208 -6.340 -8.484 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.464 -4.795 -8.960 1.00 0.00 H new ATOM 607 N LEU A 42 7.411 -4.774 -3.824 1.00 0.00 N ATOM 608 CA LEU A 42 7.542 -4.116 -2.531 1.00 0.00 C ATOM 609 C LEU A 42 8.843 -3.327 -2.450 1.00 0.00 C ATOM 610 O LEU A 42 8.950 -2.361 -1.696 1.00 0.00 O ATOM 611 CB LEU A 42 7.516 -5.160 -1.423 1.00 0.00 C ATOM 612 CG LEU A 42 6.247 -6.019 -1.370 1.00 0.00 C ATOM 613 CD1 LEU A 42 6.472 -7.269 -0.528 1.00 0.00 C ATOM 614 CD2 LEU A 42 5.080 -5.210 -0.825 1.00 0.00 C ATOM 0 H LEU A 42 7.144 -5.757 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 42 6.708 -3.424 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.377 -5.818 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.634 -4.654 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 42 6.006 -6.334 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.558 -7.862 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.278 -7.861 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.742 -6.980 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.187 -5.835 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.316 -4.864 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.900 -4.351 -1.471 1.00 0.00 H new ATOM 626 N SER A 43 9.830 -3.745 -3.239 1.00 0.00 N ATOM 627 CA SER A 43 11.122 -3.069 -3.257 1.00 0.00 C ATOM 628 C SER A 43 10.936 -1.631 -3.696 1.00 0.00 C ATOM 629 O SER A 43 11.396 -0.697 -3.040 1.00 0.00 O ATOM 630 CB SER A 43 12.100 -3.793 -4.186 1.00 0.00 C ATOM 631 OG SER A 43 13.047 -2.896 -4.740 1.00 0.00 O ATOM 0 H SER A 43 9.760 -4.543 -3.870 1.00 0.00 H new ATOM 0 HA SER A 43 11.543 -3.083 -2.252 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.619 -4.576 -3.632 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.548 -4.283 -4.988 1.00 0.00 H new ATOM 0 HG SER A 43 13.659 -3.387 -5.327 1.00 0.00 H new ATOM 637 N THR A 44 10.225 -1.469 -4.796 1.00 0.00 N ATOM 638 CA THR A 44 9.926 -0.156 -5.323 1.00 0.00 C ATOM 639 C THR A 44 8.897 0.527 -4.431 1.00 0.00 C ATOM 640 O THR A 44 8.768 1.752 -4.436 1.00 0.00 O ATOM 641 CB THR A 44 9.394 -0.273 -6.748 1.00 0.00 C ATOM 642 OG1 THR A 44 8.639 -1.460 -6.905 1.00 0.00 O ATOM 643 CG2 THR A 44 10.483 -0.279 -7.797 1.00 0.00 C ATOM 0 H THR A 44 9.842 -2.239 -5.344 1.00 0.00 H new ATOM 0 HA THR A 44 10.837 0.442 -5.341 1.00 0.00 H new ATOM 0 HB THR A 44 8.775 0.612 -6.898 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.148 -1.647 -6.078 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.034 -0.365 -8.787 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.052 0.648 -7.736 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.148 -1.125 -7.626 1.00 0.00 H new ATOM 651 N ILE A 45 8.171 -0.280 -3.654 1.00 0.00 N ATOM 652 CA ILE A 45 7.159 0.246 -2.745 1.00 0.00 C ATOM 653 C ILE A 45 7.770 0.548 -1.381 1.00 0.00 C ATOM 654 O ILE A 45 7.909 -0.341 -0.541 1.00 0.00 O ATOM 655 CB ILE A 45 5.987 -0.739 -2.569 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.459 -1.188 -3.933 1.00 0.00 C ATOM 657 CG2 ILE A 45 4.874 -0.104 -1.749 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.869 -0.062 -4.754 1.00 0.00 C ATOM 0 H ILE A 45 8.267 -1.295 -3.638 1.00 0.00 H new ATOM 0 HA ILE A 45 6.776 1.166 -3.187 1.00 0.00 H new ATOM 0 HB ILE A 45 6.350 -1.616 -2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.272 -1.649 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.699 -1.955 -3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.055 -0.814 -1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.257 0.169 -0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.511 0.789 -2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.515 -0.454 -5.708 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.035 0.384 -4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.632 0.696 -4.934 1.00 0.00 H new ATOM 670 N ASP A 46 8.144 1.806 -1.172 1.00 0.00 N ATOM 671 CA ASP A 46 8.754 2.226 0.085 1.00 0.00 C ATOM 672 C ASP A 46 7.706 2.558 1.146 1.00 0.00 C ATOM 673 O ASP A 46 8.052 2.921 2.270 1.00 0.00 O ATOM 674 CB ASP A 46 9.654 3.440 -0.148 1.00 0.00 C ATOM 675 CG ASP A 46 10.805 3.136 -1.087 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.727 2.123 -1.813 1.00 0.00 O ATOM 677 OD2 ASP A 46 11.784 3.912 -1.096 1.00 0.00 O ATOM 0 H ASP A 46 8.035 2.553 -1.858 1.00 0.00 H new ATOM 0 HA ASP A 46 9.349 1.391 0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.059 4.256 -0.559 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.050 3.784 0.808 1.00 0.00 H new ATOM 682 N LYS A 47 6.428 2.438 0.794 1.00 0.00 N ATOM 683 CA LYS A 47 5.357 2.735 1.738 1.00 0.00 C ATOM 684 C LYS A 47 4.142 1.845 1.503 1.00 0.00 C ATOM 685 O LYS A 47 3.819 1.499 0.367 1.00 0.00 O ATOM 686 CB LYS A 47 4.952 4.207 1.638 1.00 0.00 C ATOM 687 CG LYS A 47 5.385 5.039 2.834 1.00 0.00 C ATOM 688 CD LYS A 47 6.652 5.824 2.538 1.00 0.00 C ATOM 689 CE LYS A 47 6.389 6.956 1.558 1.00 0.00 C ATOM 690 NZ LYS A 47 7.641 7.426 0.902 1.00 0.00 N ATOM 0 H LYS A 47 6.112 2.140 -0.129 1.00 0.00 H new ATOM 0 HA LYS A 47 5.735 2.533 2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.385 4.634 0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.869 4.271 1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.585 5.727 3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.552 4.386 3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.055 6.231 3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.409 5.155 2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.684 6.621 0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.920 7.788 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.418 8.198 0.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.304 7.770 1.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.076 6.639 0.380 1.00 0.00 H new ATOM 704 N LEU A 48 3.470 1.489 2.591 1.00 0.00 N ATOM 705 CA LEU A 48 2.280 0.649 2.522 1.00 0.00 C ATOM 706 C LEU A 48 1.387 0.896 3.734 1.00 0.00 C ATOM 707 O LEU A 48 1.860 0.918 4.867 1.00 0.00 O ATOM 708 CB LEU A 48 2.669 -0.834 2.426 1.00 0.00 C ATOM 709 CG LEU A 48 3.210 -1.480 3.710 1.00 0.00 C ATOM 710 CD1 LEU A 48 4.255 -0.593 4.375 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.074 -1.799 4.674 1.00 0.00 C ATOM 0 H LEU A 48 3.730 1.770 3.536 1.00 0.00 H new ATOM 0 HA LEU A 48 1.722 0.911 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.794 -1.397 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.423 -0.940 1.646 1.00 0.00 H new ATOM 0 HG LEU A 48 3.696 -2.416 3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.619 -1.077 5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.087 -0.434 3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.807 0.367 4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.480 -2.256 5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.551 -0.880 4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.377 -2.490 4.199 1.00 0.00 H new ATOM 723 N GLN A 49 0.094 1.094 3.494 1.00 0.00 N ATOM 724 CA GLN A 49 -0.841 1.351 4.584 1.00 0.00 C ATOM 725 C GLN A 49 -2.029 0.396 4.546 1.00 0.00 C ATOM 726 O GLN A 49 -2.651 0.199 3.505 1.00 0.00 O ATOM 727 CB GLN A 49 -1.339 2.794 4.531 1.00 0.00 C ATOM 728 CG GLN A 49 -0.237 3.810 4.279 1.00 0.00 C ATOM 729 CD GLN A 49 -0.058 4.123 2.806 1.00 0.00 C ATOM 730 OE1 GLN A 49 0.807 3.553 2.140 1.00 0.00 O ATOM 731 NE2 GLN A 49 -0.876 5.032 2.290 1.00 0.00 N ATOM 0 H GLN A 49 -0.327 1.082 2.565 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.304 1.186 5.518 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.089 2.882 3.745 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.834 3.033 5.472 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.466 4.730 4.817 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.702 3.430 4.683 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.578 5.479 2.879 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.802 5.283 1.304 1.00 0.00 H new ATOM 740 N ALA A 50 -2.343 -0.179 5.700 1.00 0.00 N ATOM 741 CA ALA A 50 -3.464 -1.103 5.824 1.00 0.00 C ATOM 742 C ALA A 50 -4.483 -0.563 6.817 1.00 0.00 C ATOM 743 O ALA A 50 -4.188 0.357 7.577 1.00 0.00 O ATOM 744 CB ALA A 50 -2.976 -2.480 6.248 1.00 0.00 C ATOM 0 H ALA A 50 -1.833 -0.020 6.569 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.947 -1.199 4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.826 -3.156 6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.281 -2.865 5.502 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.470 -2.406 7.211 1.00 0.00 H new ATOM 750 N THR A 51 -5.688 -1.114 6.803 1.00 0.00 N ATOM 751 CA THR A 51 -6.729 -0.643 7.707 1.00 0.00 C ATOM 752 C THR A 51 -6.745 -1.420 9.024 1.00 0.00 C ATOM 753 O THR A 51 -6.904 -2.640 9.040 1.00 0.00 O ATOM 754 CB THR A 51 -8.089 -0.725 7.031 1.00 0.00 C ATOM 755 OG1 THR A 51 -8.524 -2.066 6.943 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.083 -0.147 5.637 1.00 0.00 C ATOM 0 H THR A 51 -5.967 -1.876 6.186 1.00 0.00 H new ATOM 0 HA THR A 51 -6.506 0.397 7.946 1.00 0.00 H new ATOM 0 HB THR A 51 -8.766 -0.138 7.652 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.891 -2.647 7.414 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.079 -0.233 5.203 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.795 0.903 5.680 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.370 -0.694 5.019 1.00 0.00 H new ATOM 764 N PRO A 52 -6.585 -0.706 10.152 1.00 0.00 N ATOM 765 CA PRO A 52 -6.581 -1.286 11.487 1.00 0.00 C ATOM 766 C PRO A 52 -7.966 -1.267 12.116 1.00 0.00 C ATOM 767 O PRO A 52 -8.870 -0.595 11.620 1.00 0.00 O ATOM 768 CB PRO A 52 -5.647 -0.346 12.235 1.00 0.00 C ATOM 769 CG PRO A 52 -5.937 0.995 11.647 1.00 0.00 C ATOM 770 CD PRO A 52 -6.395 0.756 10.224 1.00 0.00 C ATOM 0 HA PRO A 52 -6.276 -2.333 11.499 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.840 -0.362 13.308 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.603 -0.626 12.095 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.708 1.510 12.220 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.049 1.627 11.667 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.320 1.290 10.007 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.653 1.098 9.503 1.00 0.00 H new ATOM 778 N ALA A 53 -8.129 -2.001 13.211 1.00 0.00 N ATOM 779 CA ALA A 53 -9.409 -2.059 13.915 1.00 0.00 C ATOM 780 C ALA A 53 -9.940 -0.663 14.279 1.00 0.00 C ATOM 781 O ALA A 53 -11.007 -0.543 14.882 1.00 0.00 O ATOM 782 CB ALA A 53 -9.277 -2.912 15.167 1.00 0.00 C ATOM 0 H ALA A 53 -7.391 -2.565 13.632 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.132 -2.512 13.237 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.236 -2.949 15.685 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.975 -3.922 14.889 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.525 -2.477 15.826 1.00 0.00 H new ATOM 788 N SER A 54 -9.204 0.390 13.912 1.00 0.00 N ATOM 789 CA SER A 54 -9.621 1.757 14.204 1.00 0.00 C ATOM 790 C SER A 54 -10.946 2.067 13.538 1.00 0.00 C ATOM 791 O SER A 54 -11.746 2.857 14.038 1.00 0.00 O ATOM 792 CB SER A 54 -8.576 2.722 13.668 1.00 0.00 C ATOM 793 OG SER A 54 -8.820 4.046 14.111 1.00 0.00 O ATOM 0 H SER A 54 -8.318 0.318 13.413 1.00 0.00 H new ATOM 0 HA SER A 54 -9.728 1.863 15.283 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.585 2.405 13.993 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.578 2.695 12.578 1.00 0.00 H new ATOM 0 HG SER A 54 -8.131 4.643 13.752 1.00 0.00 H new ATOM 799 N SER A 55 -11.157 1.437 12.403 1.00 0.00 N ATOM 800 CA SER A 55 -12.369 1.624 11.635 1.00 0.00 C ATOM 801 C SER A 55 -12.889 0.291 11.101 1.00 0.00 C ATOM 802 O SER A 55 -12.246 -0.746 11.267 1.00 0.00 O ATOM 803 CB SER A 55 -12.088 2.588 10.497 1.00 0.00 C ATOM 804 OG SER A 55 -13.141 3.524 10.345 1.00 0.00 O ATOM 0 H SER A 55 -10.495 0.782 11.987 1.00 0.00 H new ATOM 0 HA SER A 55 -13.143 2.040 12.280 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.153 3.116 10.687 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.957 2.031 9.569 1.00 0.00 H new ATOM 0 HG SER A 55 -12.890 4.371 10.769 1.00 0.00 H new ATOM 810 N GLU A 56 -14.061 0.321 10.473 1.00 0.00 N ATOM 811 CA GLU A 56 -14.670 -0.890 9.932 1.00 0.00 C ATOM 812 C GLU A 56 -14.284 -1.116 8.472 1.00 0.00 C ATOM 813 O GLU A 56 -14.999 -1.795 7.735 1.00 0.00 O ATOM 814 CB GLU A 56 -16.193 -0.814 10.059 1.00 0.00 C ATOM 815 CG GLU A 56 -16.669 -0.413 11.445 1.00 0.00 C ATOM 816 CD GLU A 56 -18.166 -0.183 11.503 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.924 -1.161 11.334 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.581 0.976 11.718 1.00 0.00 O ATOM 0 H GLU A 56 -14.607 1.170 10.326 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.295 -1.734 10.511 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.574 -0.097 9.332 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.619 -1.784 9.804 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.397 -1.191 12.158 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.153 0.496 11.753 1.00 0.00 H new ATOM 825 N LYS A 57 -13.152 -0.556 8.056 1.00 0.00 N ATOM 826 CA LYS A 57 -12.688 -0.718 6.685 1.00 0.00 C ATOM 827 C LYS A 57 -11.631 -1.813 6.590 1.00 0.00 C ATOM 828 O LYS A 57 -10.927 -2.100 7.558 1.00 0.00 O ATOM 829 CB LYS A 57 -12.126 0.592 6.105 1.00 0.00 C ATOM 830 CG LYS A 57 -11.946 1.714 7.115 1.00 0.00 C ATOM 831 CD LYS A 57 -13.262 2.423 7.406 1.00 0.00 C ATOM 832 CE LYS A 57 -13.211 3.889 6.998 1.00 0.00 C ATOM 833 NZ LYS A 57 -12.845 4.775 8.137 1.00 0.00 N ATOM 0 H LYS A 57 -12.543 0.011 8.646 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.558 -1.005 6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.162 0.383 5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.792 0.938 5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.538 1.309 8.041 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.221 2.433 6.735 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.071 1.924 6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.489 2.348 8.470 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.487 4.016 6.193 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.182 4.189 6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.315 5.696 8.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.150 4.337 9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.814 4.912 8.153 1.00 0.00 H new ATOM 847 N MET A 58 -11.524 -2.413 5.410 1.00 0.00 N ATOM 848 CA MET A 58 -10.551 -3.471 5.167 1.00 0.00 C ATOM 849 C MET A 58 -9.910 -3.292 3.797 1.00 0.00 C ATOM 850 O MET A 58 -10.475 -3.695 2.780 1.00 0.00 O ATOM 851 CB MET A 58 -11.215 -4.846 5.261 1.00 0.00 C ATOM 852 CG MET A 58 -12.602 -4.898 4.644 1.00 0.00 C ATOM 853 SD MET A 58 -13.906 -4.574 5.845 1.00 0.00 S ATOM 854 CE MET A 58 -15.194 -5.658 5.237 1.00 0.00 C ATOM 0 H MET A 58 -12.103 -2.183 4.602 1.00 0.00 H new ATOM 0 HA MET A 58 -9.776 -3.408 5.931 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.580 -5.581 4.767 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.282 -5.136 6.310 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.665 -4.167 3.838 1.00 0.00 H new ATOM 0 HG3 MET A 58 -12.760 -5.879 4.197 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.085 -5.547 5.855 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.432 -5.397 4.206 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.850 -6.691 5.279 1.00 0.00 H new ATOM 864 N MET A 59 -8.734 -2.672 3.771 1.00 0.00 N ATOM 865 CA MET A 59 -8.036 -2.430 2.516 1.00 0.00 C ATOM 866 C MET A 59 -6.545 -2.181 2.740 1.00 0.00 C ATOM 867 O MET A 59 -6.144 -1.589 3.739 1.00 0.00 O ATOM 868 CB MET A 59 -8.671 -1.235 1.793 1.00 0.00 C ATOM 869 CG MET A 59 -8.468 0.092 2.503 1.00 0.00 C ATOM 870 SD MET A 59 -9.981 0.732 3.257 1.00 0.00 S ATOM 871 CE MET A 59 -9.339 2.134 4.182 1.00 0.00 C ATOM 0 H MET A 59 -8.248 -2.330 4.600 1.00 0.00 H new ATOM 0 HA MET A 59 -8.131 -3.323 1.898 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.253 -1.166 0.789 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.740 -1.416 1.681 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.708 -0.028 3.275 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.087 0.824 1.791 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.675 2.071 5.217 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.249 2.121 4.152 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.703 3.060 3.738 1.00 0.00 H new ATOM 881 N LEU A 60 -5.727 -2.636 1.794 1.00 0.00 N ATOM 882 CA LEU A 60 -4.281 -2.457 1.880 1.00 0.00 C ATOM 883 C LEU A 60 -3.795 -1.530 0.770 1.00 0.00 C ATOM 884 O LEU A 60 -4.205 -1.660 -0.381 1.00 0.00 O ATOM 885 CB LEU A 60 -3.565 -3.810 1.791 1.00 0.00 C ATOM 886 CG LEU A 60 -2.935 -4.296 3.098 1.00 0.00 C ATOM 887 CD1 LEU A 60 -2.453 -5.736 2.964 1.00 0.00 C ATOM 888 CD2 LEU A 60 -1.790 -3.380 3.503 1.00 0.00 C ATOM 0 H LEU A 60 -6.041 -3.131 0.959 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.047 -2.004 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.278 -4.560 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.785 -3.742 1.033 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.695 -4.267 3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.009 -6.060 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.297 -6.381 2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.708 -5.798 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.351 -3.737 4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.031 -3.379 2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.167 -2.367 3.644 1.00 0.00 H new ATOM 900 N ARG A 61 -2.925 -0.591 1.122 1.00 0.00 N ATOM 901 CA ARG A 61 -2.395 0.360 0.151 1.00 0.00 C ATOM 902 C ARG A 61 -0.880 0.233 0.032 1.00 0.00 C ATOM 903 O ARG A 61 -0.187 -0.007 1.020 1.00 0.00 O ATOM 904 CB ARG A 61 -2.766 1.789 0.556 1.00 0.00 C ATOM 905 CG ARG A 61 -2.256 2.848 -0.410 1.00 0.00 C ATOM 906 CD ARG A 61 -3.399 3.593 -1.083 1.00 0.00 C ATOM 907 NE ARG A 61 -3.554 4.948 -0.559 1.00 0.00 N ATOM 908 CZ ARG A 61 -4.274 5.895 -1.155 1.00 0.00 C ATOM 909 NH1 ARG A 61 -4.906 5.640 -2.294 1.00 0.00 N ATOM 910 NH2 ARG A 61 -4.362 7.101 -0.611 1.00 0.00 N ATOM 0 H ARG A 61 -2.572 -0.467 2.071 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.837 0.134 -0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.851 1.867 0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.365 1.992 1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.626 3.557 0.127 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.631 2.377 -1.169 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.219 3.638 -2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.327 3.040 -0.938 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.083 5.182 0.315 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.841 4.714 -2.717 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.456 6.370 -2.746 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.878 7.302 0.264 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.914 7.827 -1.067 1.00 0.00 H new ATOM 924 N LEU A 62 -0.375 0.398 -1.186 1.00 0.00 N ATOM 925 CA LEU A 62 1.057 0.305 -1.442 1.00 0.00 C ATOM 926 C LEU A 62 1.539 1.504 -2.252 1.00 0.00 C ATOM 927 O LEU A 62 1.114 1.706 -3.389 1.00 0.00 O ATOM 928 CB LEU A 62 1.383 -0.991 -2.191 1.00 0.00 C ATOM 929 CG LEU A 62 0.818 -2.270 -1.567 1.00 0.00 C ATOM 930 CD1 LEU A 62 1.159 -2.343 -0.086 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.688 -2.347 -1.777 1.00 0.00 C ATOM 0 H LEU A 62 -0.938 0.597 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 62 1.573 0.300 -0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.005 -0.907 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.466 -1.088 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 62 1.277 -3.125 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.748 -3.260 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.242 -2.340 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.732 -1.482 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.072 -3.263 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.165 -1.485 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.907 -2.348 -2.845 1.00 0.00 H new ATOM 943 N ILE A 63 2.427 2.297 -1.661 1.00 0.00 N ATOM 944 CA ILE A 63 2.960 3.474 -2.336 1.00 0.00 C ATOM 945 C ILE A 63 4.227 3.137 -3.105 1.00 0.00 C ATOM 946 O ILE A 63 5.104 2.434 -2.609 1.00 0.00 O ATOM 947 CB ILE A 63 3.259 4.612 -1.346 1.00 0.00 C ATOM 948 CG1 ILE A 63 2.018 4.911 -0.513 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.726 5.859 -2.086 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.884 5.525 -1.306 1.00 0.00 C ATOM 0 H ILE A 63 2.791 2.147 -0.720 1.00 0.00 H new ATOM 0 HA ILE A 63 2.192 3.809 -3.033 1.00 0.00 H new ATOM 0 HB ILE A 63 4.062 4.298 -0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.669 3.986 -0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.290 5.587 0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.932 6.652 -1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.633 5.632 -2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.947 6.187 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.036 5.709 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.214 6.467 -1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.584 4.842 -2.100 1.00 0.00 H new ATOM 962 N GLY A 64 4.307 3.647 -4.322 1.00 0.00 N ATOM 963 CA GLY A 64 5.463 3.394 -5.162 1.00 0.00 C ATOM 964 C GLY A 64 6.531 4.462 -5.032 1.00 0.00 C ATOM 965 O GLY A 64 6.669 5.321 -5.904 1.00 0.00 O ATOM 0 H GLY A 64 3.590 4.235 -4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.891 2.426 -4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.143 3.331 -6.202 1.00 0.00 H new ATOM 1311 N ARG A 86 -0.054 5.941 -6.159 1.00 0.00 N ATOM 1312 CA ARG A 86 -0.580 5.237 -4.995 1.00 0.00 C ATOM 1313 C ARG A 86 -1.813 4.418 -5.365 1.00 0.00 C ATOM 1314 O ARG A 86 -2.660 4.868 -6.136 1.00 0.00 O ATOM 1315 CB ARG A 86 -0.929 6.231 -3.885 1.00 0.00 C ATOM 1316 CG ARG A 86 0.114 7.320 -3.691 1.00 0.00 C ATOM 1317 CD ARG A 86 -0.301 8.303 -2.608 1.00 0.00 C ATOM 1318 NE ARG A 86 -1.405 9.158 -3.037 1.00 0.00 N ATOM 1319 CZ ARG A 86 -1.734 10.300 -2.438 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -1.049 10.727 -1.385 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -2.753 11.017 -2.893 1.00 0.00 N ATOM 0 HA ARG A 86 0.192 4.557 -4.635 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.888 6.695 -4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.053 5.688 -2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.069 6.867 -3.426 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.264 7.853 -4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.595 7.754 -1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.553 8.923 -2.335 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.956 8.862 -3.843 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.265 10.179 -1.030 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.306 11.603 -0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.284 10.693 -3.701 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.006 11.892 -2.434 1.00 0.00 H new ATOM 1335 N HIS A 87 -1.906 3.215 -4.809 1.00 0.00 N ATOM 1336 CA HIS A 87 -3.036 2.332 -5.080 1.00 0.00 C ATOM 1337 C HIS A 87 -3.635 1.800 -3.782 1.00 0.00 C ATOM 1338 O HIS A 87 -2.916 1.527 -2.821 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.611 1.164 -5.979 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.151 0.836 -5.904 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.224 1.321 -6.802 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.458 0.067 -5.030 1.00 0.00 C ATOM 1343 CE1 HIS A 87 0.975 0.864 -6.486 1.00 0.00 C ATOM 1344 NE2 HIS A 87 0.860 0.101 -5.414 1.00 0.00 N ATOM 0 H HIS A 87 -1.213 2.828 -4.168 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.796 2.915 -5.600 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.186 0.280 -5.704 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.867 1.402 -7.011 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -0.431 1.937 -7.588 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.866 -0.472 -4.188 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.892 1.078 -7.014 1.00 0.00 H new ATOM 1353 N MET A 88 -4.956 1.655 -3.764 1.00 0.00 N ATOM 1354 CA MET A 88 -5.658 1.156 -2.586 1.00 0.00 C ATOM 1355 C MET A 88 -6.350 -0.169 -2.892 1.00 0.00 C ATOM 1356 O MET A 88 -7.249 -0.234 -3.731 1.00 0.00 O ATOM 1357 CB MET A 88 -6.684 2.187 -2.108 1.00 0.00 C ATOM 1358 CG MET A 88 -7.190 1.949 -0.691 1.00 0.00 C ATOM 1359 SD MET A 88 -8.191 3.323 -0.079 1.00 0.00 S ATOM 1360 CE MET A 88 -8.045 3.125 1.699 1.00 0.00 C ATOM 0 H MET A 88 -5.563 1.876 -4.553 1.00 0.00 H new ATOM 0 HA MET A 88 -4.927 0.989 -1.795 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.237 3.180 -2.161 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.533 2.183 -2.791 1.00 0.00 H new ATOM 0 HG2 MET A 88 -7.781 1.034 -0.668 1.00 0.00 H new ATOM 0 HG3 MET A 88 -6.340 1.797 -0.025 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.959 4.105 2.168 1.00 0.00 H new ATOM 0 HE2 MET A 88 -8.929 2.616 2.082 1.00 0.00 H new ATOM 0 HE3 MET A 88 -7.158 2.534 1.928 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.925 -1.222 -2.204 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.498 -2.550 -2.392 1.00 0.00 C ATOM 1372 C PHE A 89 -7.615 -2.779 -1.378 1.00 0.00 C ATOM 1373 O PHE A 89 -7.398 -2.657 -0.175 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.405 -3.609 -2.246 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.181 -4.405 -3.496 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.230 -5.074 -4.101 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.922 -4.477 -4.070 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.030 -5.802 -5.257 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.715 -5.205 -5.226 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.771 -5.867 -5.820 1.00 0.00 C ATOM 0 H PHE A 89 -5.181 -1.181 -1.507 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.921 -2.626 -3.394 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.472 -3.122 -1.962 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.671 -4.287 -1.435 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.217 -5.026 -3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.094 -3.959 -3.609 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.857 -6.320 -5.720 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.729 -5.256 -5.664 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.612 -6.435 -6.725 1.00 0.00 H new ATOM 1390 N SER A 90 -8.817 -3.078 -1.869 1.00 0.00 N ATOM 1391 CA SER A 90 -9.968 -3.273 -0.991 1.00 0.00 C ATOM 1392 C SER A 90 -10.529 -4.686 -1.061 1.00 0.00 C ATOM 1393 O SER A 90 -10.630 -5.278 -2.135 1.00 0.00 O ATOM 1394 CB SER A 90 -11.066 -2.285 -1.367 1.00 0.00 C ATOM 1395 OG SER A 90 -11.945 -2.055 -0.280 1.00 0.00 O ATOM 0 H SER A 90 -9.018 -3.190 -2.863 1.00 0.00 H new ATOM 0 HA SER A 90 -9.624 -3.105 0.030 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.618 -1.342 -1.681 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.629 -2.670 -2.218 1.00 0.00 H new ATOM 0 HG SER A 90 -12.638 -1.416 -0.549 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.916 -5.207 0.099 1.00 0.00 N ATOM 1402 CA PHE A 91 -11.497 -6.541 0.193 1.00 0.00 C ATOM 1403 C PHE A 91 -12.582 -6.567 1.266 1.00 0.00 C ATOM 1404 O PHE A 91 -12.749 -5.603 2.012 1.00 0.00 O ATOM 1405 CB PHE A 91 -10.432 -7.606 0.485 1.00 0.00 C ATOM 1406 CG PHE A 91 -9.027 -7.080 0.608 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.398 -6.520 -0.485 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.331 -7.162 1.806 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.108 -6.049 -0.397 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.034 -6.692 1.898 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.423 -6.135 0.794 1.00 0.00 C ATOM 0 H PHE A 91 -10.837 -4.721 0.993 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.942 -6.778 -0.773 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.695 -8.118 1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.457 -8.352 -0.310 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.926 -6.450 -1.424 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.806 -7.596 2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.633 -5.612 -1.263 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.500 -6.761 2.834 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.410 -5.767 0.864 1.00 0.00 H new ATOM 1421 N ASN A 92 -13.333 -7.662 1.326 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.416 -7.788 2.297 1.00 0.00 C ATOM 1423 C ASN A 92 -13.996 -8.586 3.531 1.00 0.00 C ATOM 1424 O ASN A 92 -14.847 -9.095 4.260 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.631 -8.450 1.644 1.00 0.00 C ATOM 1426 CG ASN A 92 -16.328 -7.535 0.658 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -17.083 -6.644 1.046 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.077 -7.750 -0.629 1.00 0.00 N ATOM 0 H ASN A 92 -13.213 -8.472 0.717 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.674 -6.782 2.627 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.314 -9.358 1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.337 -8.751 2.418 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.517 -7.165 -1.339 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.444 -8.500 -0.907 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.691 -8.695 3.772 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.200 -9.435 4.928 1.00 0.00 C ATOM 1437 C ASN A 93 -11.280 -8.577 5.788 1.00 0.00 C ATOM 1438 O ASN A 93 -10.170 -8.242 5.382 1.00 0.00 O ATOM 1439 CB ASN A 93 -11.470 -10.700 4.479 1.00 0.00 C ATOM 1440 CG ASN A 93 -12.373 -11.917 4.472 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -13.192 -12.091 3.569 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -12.228 -12.768 5.481 1.00 0.00 N ATOM 0 H ASN A 93 -11.963 -8.284 3.188 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.062 -9.716 5.533 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -11.064 -10.546 3.479 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.624 -10.883 5.142 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.808 -13.606 5.529 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -11.536 -12.584 6.208 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.751 -8.234 6.983 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.972 -7.423 7.912 1.00 0.00 C ATOM 1451 C ARG A 94 -9.851 -8.246 8.538 1.00 0.00 C ATOM 1452 O ARG A 94 -8.828 -7.705 8.958 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.875 -6.852 9.007 1.00 0.00 C ATOM 1454 CG ARG A 94 -13.133 -6.187 8.473 1.00 0.00 C ATOM 1455 CD ARG A 94 -14.313 -6.397 9.408 1.00 0.00 C ATOM 1456 NE ARG A 94 -15.576 -5.989 8.795 1.00 0.00 N ATOM 1457 CZ ARG A 94 -16.772 -6.372 9.236 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -16.873 -7.172 10.291 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -17.870 -5.955 8.621 1.00 0.00 N ATOM 0 H ARG A 94 -12.670 -8.506 7.331 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.528 -6.599 7.354 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.159 -7.655 9.687 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.310 -6.125 9.590 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.955 -5.119 8.344 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.370 -6.592 7.489 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.370 -7.448 9.690 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -14.155 -5.829 10.325 1.00 0.00 H new ATOM 0 HE ARG A 94 -15.538 -5.375 7.982 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.032 -7.496 10.768 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -17.792 -7.462 10.625 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -17.798 -5.341 7.810 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -18.787 -6.249 8.959 1.00 0.00 H new ATOM 1473 N THR A 95 -10.051 -9.559 8.597 1.00 0.00 N ATOM 1474 CA THR A 95 -9.058 -10.460 9.167 1.00 0.00 C ATOM 1475 C THR A 95 -7.993 -10.808 8.129 1.00 0.00 C ATOM 1476 O THR A 95 -6.810 -10.919 8.450 1.00 0.00 O ATOM 1477 CB THR A 95 -9.744 -11.729 9.697 1.00 0.00 C ATOM 1478 OG1 THR A 95 -9.460 -11.911 11.072 1.00 0.00 O ATOM 1479 CG2 THR A 95 -9.345 -13.005 8.979 1.00 0.00 C ATOM 0 H THR A 95 -10.893 -10.022 8.256 1.00 0.00 H new ATOM 0 HA THR A 95 -8.564 -9.961 10.000 1.00 0.00 H new ATOM 0 HB THR A 95 -10.806 -11.561 9.518 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.906 -12.722 11.394 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.876 -13.850 9.417 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.601 -12.923 7.923 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.271 -13.159 9.081 1.00 0.00 H new ATOM 1487 N VAL A 96 -8.427 -10.980 6.885 1.00 0.00 N ATOM 1488 CA VAL A 96 -7.519 -11.318 5.797 1.00 0.00 C ATOM 1489 C VAL A 96 -6.575 -10.160 5.487 1.00 0.00 C ATOM 1490 O VAL A 96 -5.392 -10.364 5.215 1.00 0.00 O ATOM 1491 CB VAL A 96 -8.297 -11.708 4.515 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -8.600 -10.490 3.651 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -7.523 -12.748 3.722 1.00 0.00 C ATOM 0 H VAL A 96 -9.404 -10.891 6.606 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.931 -12.175 6.126 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.250 -12.138 4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -9.146 -10.802 2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -9.205 -9.783 4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.666 -10.013 3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.082 -13.012 2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.552 -12.341 3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.378 -13.638 4.334 1.00 0.00 H new ATOM 1503 N MET A 97 -7.113 -8.946 5.513 1.00 0.00 N ATOM 1504 CA MET A 97 -6.325 -7.754 5.215 1.00 0.00 C ATOM 1505 C MET A 97 -5.212 -7.527 6.240 1.00 0.00 C ATOM 1506 O MET A 97 -4.041 -7.414 5.880 1.00 0.00 O ATOM 1507 CB MET A 97 -7.236 -6.521 5.144 1.00 0.00 C ATOM 1508 CG MET A 97 -8.215 -6.407 6.302 1.00 0.00 C ATOM 1509 SD MET A 97 -8.041 -4.877 7.250 1.00 0.00 S ATOM 1510 CE MET A 97 -6.261 -4.713 7.393 1.00 0.00 C ATOM 0 H MET A 97 -8.091 -8.760 5.737 1.00 0.00 H new ATOM 0 HA MET A 97 -5.850 -7.912 4.247 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.616 -5.625 5.117 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.796 -6.549 4.210 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.232 -6.471 5.915 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.075 -7.257 6.970 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.976 -4.748 8.444 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.776 -5.530 6.858 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.948 -3.762 6.963 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.587 -7.433 7.511 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.627 -7.186 8.584 1.00 0.00 C ATOM 1522 C ASP A 98 -3.587 -8.298 8.702 1.00 0.00 C ATOM 1523 O ASP A 98 -2.509 -8.088 9.258 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.359 -7.021 9.916 1.00 0.00 C ATOM 1525 CG ASP A 98 -4.540 -6.256 10.936 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -3.299 -6.217 10.793 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.138 -5.694 11.878 1.00 0.00 O ATOM 0 H ASP A 98 -6.553 -7.524 7.826 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.097 -6.267 8.335 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.302 -6.500 9.747 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.605 -8.005 10.316 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.913 -9.480 8.196 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.998 -10.613 8.272 1.00 0.00 C ATOM 1534 C ASN A 99 -1.861 -10.489 7.263 1.00 0.00 C ATOM 1535 O ASN A 99 -0.731 -10.890 7.540 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.756 -11.921 8.042 1.00 0.00 C ATOM 1537 CG ASN A 99 -4.296 -12.511 9.330 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -3.622 -12.502 10.361 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -5.518 -13.027 9.278 1.00 0.00 N ATOM 0 H ASN A 99 -4.799 -9.680 7.731 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.561 -10.616 9.271 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.582 -11.743 7.353 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -3.093 -12.643 7.565 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -5.934 -13.437 10.114 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -6.041 -13.013 8.402 1.00 0.00 H new ATOM 1546 N ILE A 100 -2.162 -9.948 6.088 1.00 0.00 N ATOM 1547 CA ILE A 100 -1.154 -9.798 5.046 1.00 0.00 C ATOM 1548 C ILE A 100 -0.374 -8.488 5.177 1.00 0.00 C ATOM 1549 O ILE A 100 0.775 -8.404 4.744 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.782 -9.888 3.642 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -0.688 -9.987 2.577 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.685 -8.692 3.378 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.211 -9.882 1.161 1.00 0.00 C ATOM 0 H ILE A 100 -3.090 -9.608 5.834 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.454 -10.623 5.178 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.394 -10.789 3.594 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.044 -9.197 2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.164 -10.936 2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.118 -8.776 2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.484 -8.668 4.120 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.101 -7.774 3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.380 -9.960 0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.921 -10.688 0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.709 -8.922 1.027 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.989 -7.468 5.776 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.327 -6.187 5.950 1.00 0.00 C ATOM 1567 C LYS A 101 0.750 -6.287 7.017 1.00 0.00 C ATOM 1568 O LYS A 101 1.810 -5.676 6.909 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.350 -5.117 6.329 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.971 -5.307 7.706 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.177 -4.614 8.808 1.00 0.00 C ATOM 1572 CE LYS A 101 -0.922 -3.153 8.483 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.039 -2.504 9.491 1.00 0.00 N ATOM 0 H LYS A 101 -1.939 -7.509 6.145 1.00 0.00 H new ATOM 0 HA LYS A 101 0.145 -5.906 5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.868 -4.140 6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.144 -5.109 5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.989 -4.919 7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.038 -6.372 7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.721 -4.688 9.750 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.226 -5.127 8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.465 -3.075 7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.872 -2.621 8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.110 -1.508 9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.486 -2.555 10.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.877 -2.995 9.518 1.00 0.00 H new ATOM 1587 N MET A 102 0.464 -7.066 8.047 1.00 0.00 N ATOM 1588 CA MET A 102 1.404 -7.257 9.145 1.00 0.00 C ATOM 1589 C MET A 102 2.698 -7.892 8.646 1.00 0.00 C ATOM 1590 O MET A 102 3.775 -7.633 9.182 1.00 0.00 O ATOM 1591 CB MET A 102 0.779 -8.132 10.233 1.00 0.00 C ATOM 1592 CG MET A 102 0.002 -7.345 11.275 1.00 0.00 C ATOM 1593 SD MET A 102 -0.609 -8.383 12.617 1.00 0.00 S ATOM 1594 CE MET A 102 -2.200 -7.625 12.935 1.00 0.00 C ATOM 0 H MET A 102 -0.412 -7.578 8.148 1.00 0.00 H new ATOM 0 HA MET A 102 1.638 -6.279 9.566 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.112 -8.857 9.766 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.567 -8.697 10.730 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.642 -6.565 11.687 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.840 -6.846 10.795 1.00 0.00 H new ATOM 0 HE1 MET A 102 -2.484 -7.797 13.973 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.136 -6.553 12.749 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.950 -8.063 12.276 1.00 0.00 H new ATOM 1604 N THR A 103 2.582 -8.728 7.619 1.00 0.00 N ATOM 1605 CA THR A 103 3.743 -9.406 7.050 1.00 0.00 C ATOM 1606 C THR A 103 4.393 -8.576 5.945 1.00 0.00 C ATOM 1607 O THR A 103 5.614 -8.584 5.791 1.00 0.00 O ATOM 1608 CB THR A 103 3.337 -10.774 6.499 1.00 0.00 C ATOM 1609 OG1 THR A 103 2.705 -11.551 7.502 1.00 0.00 O ATOM 1610 CG2 THR A 103 4.504 -11.575 5.965 1.00 0.00 C ATOM 0 H THR A 103 1.697 -8.952 7.164 1.00 0.00 H new ATOM 0 HA THR A 103 4.474 -9.537 7.848 1.00 0.00 H new ATOM 0 HB THR A 103 2.656 -10.563 5.675 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.451 -12.421 7.130 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.146 -12.534 5.590 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.983 -11.025 5.155 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.225 -11.745 6.765 1.00 0.00 H new ATOM 1618 N LEU A 104 3.575 -7.870 5.170 1.00 0.00 N ATOM 1619 CA LEU A 104 4.084 -7.050 4.075 1.00 0.00 C ATOM 1620 C LEU A 104 4.578 -5.692 4.576 1.00 0.00 C ATOM 1621 O LEU A 104 5.498 -5.108 4.004 1.00 0.00 O ATOM 1622 CB LEU A 104 3.005 -6.871 2.997 1.00 0.00 C ATOM 1623 CG LEU A 104 2.112 -5.636 3.143 1.00 0.00 C ATOM 1624 CD1 LEU A 104 2.717 -4.449 2.409 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.714 -5.929 2.618 1.00 0.00 C ATOM 0 H LEU A 104 2.561 -7.849 5.279 1.00 0.00 H new ATOM 0 HA LEU A 104 4.936 -7.568 3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.495 -6.828 2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.370 -7.757 2.996 1.00 0.00 H new ATOM 0 HG LEU A 104 2.040 -5.385 4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.068 -3.581 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.699 -4.226 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.818 -4.689 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.091 -5.042 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.771 -6.204 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.278 -6.752 3.184 1.00 0.00 H new ATOM 1637 N GLN A 105 3.961 -5.194 5.642 1.00 0.00 N ATOM 1638 CA GLN A 105 4.339 -3.904 6.212 1.00 0.00 C ATOM 1639 C GLN A 105 5.702 -3.984 6.891 1.00 0.00 C ATOM 1640 O GLN A 105 6.577 -3.152 6.649 1.00 0.00 O ATOM 1641 CB GLN A 105 3.287 -3.436 7.218 1.00 0.00 C ATOM 1642 CG GLN A 105 3.515 -2.020 7.723 1.00 0.00 C ATOM 1643 CD GLN A 105 3.771 -1.966 9.216 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.669 -2.634 9.729 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.978 -1.168 9.922 1.00 0.00 N ATOM 0 H GLN A 105 3.197 -5.663 6.129 1.00 0.00 H new ATOM 0 HA GLN A 105 4.400 -3.183 5.396 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.302 -3.493 6.754 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.280 -4.119 8.067 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.364 -1.583 7.197 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.644 -1.409 7.485 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.246 -0.633 9.455 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.101 -1.091 10.932 1.00 0.00 H new ATOM 1654 N GLN A 106 5.874 -4.987 7.747 1.00 0.00 N ATOM 1655 CA GLN A 106 7.130 -5.174 8.466 1.00 0.00 C ATOM 1656 C GLN A 106 8.319 -5.162 7.511 1.00 0.00 C ATOM 1657 O GLN A 106 9.373 -4.609 7.825 1.00 0.00 O ATOM 1658 CB GLN A 106 7.102 -6.489 9.248 1.00 0.00 C ATOM 1659 CG GLN A 106 6.641 -7.678 8.422 1.00 0.00 C ATOM 1660 CD GLN A 106 7.791 -8.556 7.970 1.00 0.00 C ATOM 1661 OE1 GLN A 106 7.911 -8.882 6.789 1.00 0.00 O ATOM 1662 NE2 GLN A 106 8.645 -8.944 8.910 1.00 0.00 N ATOM 0 H GLN A 106 5.159 -5.683 7.960 1.00 0.00 H new ATOM 0 HA GLN A 106 7.244 -4.344 9.163 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.100 -6.692 9.637 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.442 -6.377 10.108 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.943 -8.274 9.009 1.00 0.00 H new ATOM 0 HG3 GLN A 106 6.097 -7.319 7.548 1.00 0.00 H new ATOM 0 HE21 GLN A 106 8.507 -8.650 9.877 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.439 -9.536 8.665 1.00 0.00 H new ATOM 1671 N ILE A 107 8.146 -5.778 6.345 1.00 0.00 N ATOM 1672 CA ILE A 107 9.200 -5.841 5.351 1.00 0.00 C ATOM 1673 C ILE A 107 9.680 -4.448 4.960 1.00 0.00 C ATOM 1674 O ILE A 107 10.867 -4.148 5.055 1.00 0.00 O ATOM 1675 CB ILE A 107 8.724 -6.621 4.104 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.355 -8.006 4.105 1.00 0.00 C ATOM 1677 CG2 ILE A 107 9.049 -5.885 2.811 1.00 0.00 C ATOM 1678 CD1 ILE A 107 8.654 -8.994 3.198 1.00 0.00 C ATOM 0 H ILE A 107 7.280 -6.241 6.069 1.00 0.00 H new ATOM 0 HA ILE A 107 10.043 -6.371 5.793 1.00 0.00 H new ATOM 0 HB ILE A 107 7.639 -6.711 4.152 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.397 -7.921 3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.353 -8.396 5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.697 -6.470 1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.556 -4.913 2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.127 -5.745 2.733 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.159 -9.958 3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.618 -9.109 3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.679 -8.627 2.172 1.00 0.00 H new ATOM 1690 N ILE A 108 8.757 -3.599 4.519 1.00 0.00 N ATOM 1691 CA ILE A 108 9.111 -2.241 4.116 1.00 0.00 C ATOM 1692 C ILE A 108 10.004 -1.585 5.154 1.00 0.00 C ATOM 1693 O ILE A 108 11.073 -1.063 4.839 1.00 0.00 O ATOM 1694 CB ILE A 108 7.869 -1.356 3.900 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.804 -2.097 3.088 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.268 -0.062 3.207 1.00 0.00 C ATOM 1697 CD1 ILE A 108 7.322 -2.686 1.793 1.00 0.00 C ATOM 0 H ILE A 108 7.766 -3.824 4.432 1.00 0.00 H new ATOM 0 HA ILE A 108 9.643 -2.329 3.169 1.00 0.00 H new ATOM 0 HB ILE A 108 7.440 -1.117 4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.387 -2.897 3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.989 -1.410 2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 108 7.384 0.558 3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.988 0.475 3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.718 -0.290 2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.510 -3.195 1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.713 -1.888 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.117 -3.399 2.010 1.00 0.00 H new ATOM 1709 N SER A 109 9.557 -1.632 6.393 1.00 0.00 N ATOM 1710 CA SER A 109 10.304 -1.058 7.502 1.00 0.00 C ATOM 1711 C SER A 109 11.688 -1.691 7.601 1.00 0.00 C ATOM 1712 O SER A 109 12.642 -1.057 8.051 1.00 0.00 O ATOM 1713 CB SER A 109 9.540 -1.256 8.811 1.00 0.00 C ATOM 1714 OG SER A 109 10.062 -0.432 9.838 1.00 0.00 O ATOM 0 H SER A 109 8.673 -2.065 6.662 1.00 0.00 H new ATOM 0 HA SER A 109 10.424 0.010 7.321 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.485 -1.027 8.658 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.598 -2.301 9.115 1.00 0.00 H new ATOM 0 HG SER A 109 9.554 -0.577 10.664 1.00 0.00 H new ATOM 1720 N ARG A 110 11.790 -2.945 7.168 1.00 0.00 N ATOM 1721 CA ARG A 110 13.059 -3.660 7.200 1.00 0.00 C ATOM 1722 C ARG A 110 13.894 -3.311 5.969 1.00 0.00 C ATOM 1723 O ARG A 110 15.070 -2.967 6.082 1.00 0.00 O ATOM 1724 CB ARG A 110 12.814 -5.176 7.293 1.00 0.00 C ATOM 1725 CG ARG A 110 13.151 -5.955 6.028 1.00 0.00 C ATOM 1726 CD ARG A 110 12.924 -7.447 6.216 1.00 0.00 C ATOM 1727 NE ARG A 110 14.163 -8.153 6.536 1.00 0.00 N ATOM 1728 CZ ARG A 110 14.290 -9.477 6.506 1.00 0.00 C ATOM 1729 NH1 ARG A 110 13.259 -10.243 6.171 1.00 0.00 N ATOM 1730 NH2 ARG A 110 15.452 -10.038 6.812 1.00 0.00 N ATOM 0 H ARG A 110 11.010 -3.484 6.792 1.00 0.00 H new ATOM 0 HA ARG A 110 13.617 -3.353 8.085 1.00 0.00 H new ATOM 0 HB2 ARG A 110 13.405 -5.576 8.117 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.766 -5.346 7.540 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.538 -5.594 5.203 1.00 0.00 H new ATOM 0 HG3 ARG A 110 14.191 -5.776 5.755 1.00 0.00 H new ATOM 0 HD2 ARG A 110 12.200 -7.606 7.015 1.00 0.00 H new ATOM 0 HD3 ARG A 110 12.493 -7.866 5.307 1.00 0.00 H new ATOM 0 HE ARG A 110 14.978 -7.598 6.798 1.00 0.00 H new ATOM 0 HH11 ARG A 110 12.363 -9.817 5.935 1.00 0.00 H new ATOM 0 HH12 ARG A 110 13.363 -11.257 6.150 1.00 0.00 H new ATOM 0 HH21 ARG A 110 16.248 -9.454 7.070 1.00 0.00 H new ATOM 0 HH22 ARG A 110 15.550 -11.053 6.789 1.00 0.00 H new ATOM 1744 N TYR A 111 13.274 -3.399 4.795 1.00 0.00 N ATOM 1745 CA TYR A 111 13.959 -3.086 3.546 1.00 0.00 C ATOM 1746 C TYR A 111 14.479 -1.652 3.555 1.00 0.00 C ATOM 1747 O TYR A 111 15.620 -1.394 3.175 1.00 0.00 O ATOM 1748 CB TYR A 111 13.018 -3.296 2.357 1.00 0.00 C ATOM 1749 CG TYR A 111 13.105 -4.677 1.742 1.00 0.00 C ATOM 1750 CD1 TYR A 111 13.482 -5.779 2.501 1.00 0.00 C ATOM 1751 CD2 TYR A 111 12.808 -4.877 0.400 1.00 0.00 C ATOM 1752 CE1 TYR A 111 13.560 -7.040 1.940 1.00 0.00 C ATOM 1753 CE2 TYR A 111 12.883 -6.135 -0.169 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.260 -7.212 0.605 1.00 0.00 C ATOM 1755 OH TYR A 111 13.337 -8.465 0.043 1.00 0.00 O ATOM 0 H TYR A 111 12.301 -3.684 4.683 1.00 0.00 H new ATOM 0 HA TYR A 111 14.810 -3.760 3.448 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.993 -3.117 2.682 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.244 -2.553 1.592 1.00 0.00 H new ATOM 0 HD1 TYR A 111 13.718 -5.648 3.547 1.00 0.00 H new ATOM 0 HD2 TYR A 111 12.513 -4.036 -0.210 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.854 -7.886 2.544 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.648 -6.273 -1.214 1.00 0.00 H new ATOM 0 HH TYR A 111 14.094 -8.499 -0.578 1.00 0.00 H new ATOM 1765 N LYS A 112 13.636 -0.721 3.994 1.00 0.00 N ATOM 1766 CA LYS A 112 14.015 0.689 4.055 1.00 0.00 C ATOM 1767 C LYS A 112 15.311 0.870 4.837 1.00 0.00 C ATOM 1768 O LYS A 112 16.083 1.793 4.578 1.00 0.00 O ATOM 1769 CB LYS A 112 12.900 1.511 4.708 1.00 0.00 C ATOM 1770 CG LYS A 112 11.682 1.720 3.820 1.00 0.00 C ATOM 1771 CD LYS A 112 12.076 2.156 2.418 1.00 0.00 C ATOM 1772 CE LYS A 112 12.247 0.961 1.494 1.00 0.00 C ATOM 1773 NZ LYS A 112 13.222 1.237 0.403 1.00 0.00 N ATOM 0 H LYS A 112 12.687 -0.917 4.313 1.00 0.00 H new ATOM 0 HA LYS A 112 14.171 1.041 3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.586 1.014 5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.300 2.484 4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.108 0.795 3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.032 2.473 4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.314 2.823 2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 112 13.006 2.722 2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.583 0.100 2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.283 0.696 1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 13.080 0.555 -0.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.077 2.202 0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.190 1.146 0.772 1.00 0.00 H new ATOM 1969 N ASP B 70 -10.956 4.953 4.398 1.00 0.00 N ATOM 1970 CA ASP B 70 -10.382 6.096 5.101 1.00 0.00 C ATOM 1971 C ASP B 70 -9.354 5.666 6.143 1.00 0.00 C ATOM 1972 O ASP B 70 -8.273 6.245 6.244 1.00 0.00 O ATOM 1973 CB ASP B 70 -11.494 6.908 5.770 1.00 0.00 C ATOM 1974 CG ASP B 70 -11.022 8.277 6.219 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -10.901 9.175 5.358 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -10.773 8.452 7.430 1.00 0.00 O ATOM 0 HA ASP B 70 -9.867 6.713 4.364 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -12.324 7.024 5.074 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -11.874 6.358 6.631 1.00 0.00 H new ATOM 1981 N ALA B 71 -9.709 4.658 6.922 1.00 0.00 N ATOM 1982 CA ALA B 71 -8.834 4.147 7.976 1.00 0.00 C ATOM 1983 C ALA B 71 -7.594 3.463 7.404 1.00 0.00 C ATOM 1984 O ALA B 71 -7.509 2.238 7.385 1.00 0.00 O ATOM 1985 CB ALA B 71 -9.600 3.182 8.875 1.00 0.00 C ATOM 0 H ALA B 71 -10.602 4.171 6.847 1.00 0.00 H new ATOM 0 HA ALA B 71 -8.497 4.999 8.566 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -8.937 2.808 9.656 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -10.443 3.701 9.332 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -9.968 2.346 8.281 1.00 0.00 H new ATOM 1991 N THR B 72 -6.626 4.261 6.960 1.00 0.00 N ATOM 1992 CA THR B 72 -5.382 3.723 6.412 1.00 0.00 C ATOM 1993 C THR B 72 -4.302 4.791 6.348 1.00 0.00 C ATOM 1994 O THR B 72 -3.144 4.536 6.679 1.00 0.00 O ATOM 1995 CB THR B 72 -5.590 3.115 5.027 1.00 0.00 C ATOM 1996 OG1 THR B 72 -6.687 3.715 4.360 1.00 0.00 O ATOM 1997 CG2 THR B 72 -5.818 1.621 5.056 1.00 0.00 C ATOM 0 H THR B 72 -6.678 5.280 6.968 1.00 0.00 H new ATOM 0 HA THR B 72 -5.056 2.932 7.088 1.00 0.00 H new ATOM 0 HB THR B 72 -4.662 3.311 4.491 1.00 0.00 H new ATOM 0 HG1 THR B 72 -6.371 4.159 3.545 1.00 0.00 H new ATOM 0 HG21 THR B 72 -5.958 1.255 4.039 1.00 0.00 H new ATOM 0 HG22 THR B 72 -4.954 1.130 5.503 1.00 0.00 H new ATOM 0 HG23 THR B 72 -6.707 1.400 5.647 1.00 0.00 H new ATOM 2005 N TRP B 73 -4.681 5.986 5.922 1.00 0.00 N ATOM 2006 CA TRP B 73 -3.728 7.087 5.823 1.00 0.00 C ATOM 2007 C TRP B 73 -3.459 7.679 7.204 1.00 0.00 C ATOM 2008 O TRP B 73 -3.728 8.856 7.448 1.00 0.00 O ATOM 2009 CB TRP B 73 -4.227 8.197 4.888 1.00 0.00 C ATOM 2010 CG TRP B 73 -5.048 7.740 3.715 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -5.962 8.491 3.041 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -5.034 6.460 3.069 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -6.519 7.764 2.020 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -5.967 6.514 2.017 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -4.330 5.278 3.273 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -6.208 5.431 1.180 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -4.573 4.200 2.444 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -5.500 4.282 1.410 1.00 0.00 C ATOM 0 H TRP B 73 -5.633 6.220 5.641 1.00 0.00 H new ATOM 0 HA TRP B 73 -2.808 6.678 5.406 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -4.821 8.899 5.472 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -3.363 8.746 4.512 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -6.213 9.515 3.277 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -7.229 8.101 1.370 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -3.603 5.204 4.069 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -6.928 5.494 0.377 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -4.034 3.277 2.601 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -5.664 3.423 0.777 1.00 0.00 H new ATOM 2029 N ASP B 74 -2.934 6.859 8.108 1.00 0.00 N ATOM 2030 CA ASP B 74 -2.641 7.313 9.462 1.00 0.00 C ATOM 2031 C ASP B 74 -1.886 6.252 10.246 1.00 0.00 C ATOM 2032 O ASP B 74 -0.731 6.444 10.627 1.00 0.00 O ATOM 2033 CB ASP B 74 -3.938 7.674 10.189 1.00 0.00 C ATOM 2034 CG ASP B 74 -3.730 8.736 11.251 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -2.969 8.478 12.208 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -4.328 9.825 11.126 1.00 0.00 O ATOM 0 H ASP B 74 -2.704 5.882 7.929 1.00 0.00 H new ATOM 0 HA ASP B 74 -2.009 8.198 9.391 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -4.671 8.028 9.464 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -4.353 6.779 10.651 1.00 0.00 H new ATOM 2041 N LEU B 75 -2.556 5.140 10.490 1.00 0.00 N ATOM 2042 CA LEU B 75 -1.968 4.034 11.243 1.00 0.00 C ATOM 2043 C LEU B 75 -0.596 3.644 10.702 1.00 0.00 C ATOM 2044 O LEU B 75 0.209 3.040 11.411 1.00 0.00 O ATOM 2045 CB LEU B 75 -2.899 2.808 11.276 1.00 0.00 C ATOM 2046 CG LEU B 75 -3.409 2.282 9.926 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -4.423 3.239 9.325 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -2.259 2.036 8.960 1.00 0.00 C ATOM 0 H LEU B 75 -3.513 4.974 10.178 1.00 0.00 H new ATOM 0 HA LEU B 75 -1.838 4.390 12.265 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -2.373 1.997 11.778 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -3.764 3.056 11.891 1.00 0.00 H new ATOM 0 HG LEU B 75 -3.903 1.327 10.105 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -4.771 2.847 8.369 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.269 3.346 10.004 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -3.957 4.212 9.170 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -2.652 1.664 8.014 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -1.722 2.969 8.788 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -1.578 1.298 9.385 1.00 0.00 H new