USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 774 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 114:sc= 1.15 USER MOD Single : A 19 CYS SG : rot 13:sc= -1.38! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -140:sc= -0.169 USER MOD Single : A 27 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.15) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.0247 (180deg=-0.221) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= 2.28 (180deg=2.04) USER MOD Single : A 40 SER OG : rot 180:sc= -0.262 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0185) USER MOD Single : A 53 GLN : amide:sc= -0.616 K(o=-0.62,f=-2.6!) USER MOD Single : A 55 LYS NZ :NH3+ 172:sc=-0.00891 (180deg=-0.116) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 153:sc= -0.256 (180deg=-1.07) USER MOD Single : A 69 GLN : amide:sc= -0.544 X(o=-0.54,f=-1) USER MOD Single : A 70 ASN : amide:sc= -1.96! X(o=-2!,f=-2) USER MOD Single : A 72 SER OG : rot 160:sc= -0.548 USER MOD Single : A 79 SER OG : rot -82:sc= 0.735 USER MOD Single : A 83 THR OG1 : rot -116:sc= 1.33 USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= 1.23 (180deg=0.975) USER MOD Single : A 88 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.01) USER MOD Single : A 92 SER OG : rot 50:sc= 0.337 USER MOD Single : A 97 LYS NZ :NH3+ -130:sc= 1.09 (180deg=0.706) USER MOD Single : A 106 MET CE :methyl -115:sc= -1.12 (180deg=-1.93) USER MOD Single : A 108 LYS NZ :NH3+ 169:sc= -0.0205 (180deg=-0.16) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -14.115 8.385 3.977 1.00 0.00 N ATOM 61 CA GLY A 5 -13.052 8.959 4.783 1.00 0.00 C ATOM 62 C GLY A 5 -11.939 7.976 5.097 1.00 0.00 C ATOM 63 O GLY A 5 -10.874 8.377 5.565 1.00 0.00 O ATOM 0 HA2 GLY A 5 -12.632 9.818 4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.474 9.330 5.717 1.00 0.00 H new ATOM 67 N ILE A 6 -12.187 6.689 4.851 1.00 0.00 N ATOM 68 CA ILE A 6 -11.165 5.661 5.023 1.00 0.00 C ATOM 69 C ILE A 6 -9.918 6.041 4.237 1.00 0.00 C ATOM 70 O ILE A 6 -8.802 5.970 4.745 1.00 0.00 O ATOM 71 CB ILE A 6 -11.691 4.268 4.586 1.00 0.00 C ATOM 72 CG1 ILE A 6 -12.497 3.631 5.722 1.00 0.00 C ATOM 73 CG2 ILE A 6 -10.560 3.341 4.159 1.00 0.00 C ATOM 74 CD1 ILE A 6 -11.662 3.288 6.944 1.00 0.00 C ATOM 0 H ILE A 6 -13.089 6.335 4.532 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.911 5.596 6.081 1.00 0.00 H new ATOM 0 HB ILE A 6 -12.337 4.416 3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -13.294 4.313 6.017 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -12.975 2.724 5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -10.972 2.377 3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.026 3.783 3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.872 3.199 4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.300 2.841 7.707 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.881 2.581 6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.206 4.196 7.339 1.00 0.00 H new ATOM 86 N LEU A 7 -10.119 6.476 3.010 1.00 0.00 N ATOM 87 CA LEU A 7 -9.048 7.064 2.234 1.00 0.00 C ATOM 88 C LEU A 7 -9.576 8.277 1.497 1.00 0.00 C ATOM 89 O LEU A 7 -10.774 8.374 1.219 1.00 0.00 O ATOM 90 CB LEU A 7 -8.371 6.046 1.277 1.00 0.00 C ATOM 91 CG LEU A 7 -9.187 5.456 0.097 1.00 0.00 C ATOM 92 CD1 LEU A 7 -10.524 4.890 0.545 1.00 0.00 C ATOM 93 CD2 LEU A 7 -9.373 6.472 -1.023 1.00 0.00 C ATOM 0 H LEU A 7 -11.017 6.433 2.528 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.260 7.379 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.489 6.528 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.020 5.211 1.883 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.601 4.626 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.057 4.489 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.357 4.094 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.118 5.680 1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.949 6.021 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.905 7.343 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.398 6.780 -1.401 1.00 0.00 H new ATOM 105 N ASN A 8 -8.696 9.210 1.216 1.00 0.00 N ATOM 106 CA ASN A 8 -9.075 10.423 0.529 1.00 0.00 C ATOM 107 C ASN A 8 -8.731 10.310 -0.938 1.00 0.00 C ATOM 108 O ASN A 8 -7.623 9.916 -1.303 1.00 0.00 O ATOM 109 CB ASN A 8 -8.366 11.632 1.137 1.00 0.00 C ATOM 110 CG ASN A 8 -9.212 12.328 2.185 1.00 0.00 C ATOM 111 OD1 ASN A 8 -9.925 13.289 1.886 1.00 0.00 O ATOM 112 ND2 ASN A 8 -9.157 11.836 3.409 1.00 0.00 N ATOM 0 H ASN A 8 -7.706 9.151 1.455 1.00 0.00 H new ATOM 0 HA ASN A 8 -10.151 10.562 0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.426 11.311 1.586 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.116 12.339 0.346 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.719 12.252 4.152 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.553 11.039 3.612 1.00 0.00 H new ATOM 119 N ASP A 9 -9.694 10.655 -1.778 1.00 0.00 N ATOM 120 CA ASP A 9 -9.471 10.700 -3.212 1.00 0.00 C ATOM 121 C ASP A 9 -8.305 11.626 -3.514 1.00 0.00 C ATOM 122 O ASP A 9 -7.592 11.441 -4.484 1.00 0.00 O ATOM 123 CB ASP A 9 -10.726 11.184 -3.944 1.00 0.00 C ATOM 124 CG ASP A 9 -11.889 10.220 -3.824 1.00 0.00 C ATOM 125 OD1 ASP A 9 -12.645 10.312 -2.828 1.00 0.00 O ATOM 126 OD2 ASP A 9 -12.064 9.381 -4.731 1.00 0.00 O ATOM 0 H ASP A 9 -10.639 10.908 -1.489 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.240 9.694 -3.562 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.022 12.154 -3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.491 11.332 -4.998 1.00 0.00 H new ATOM 131 N ALA A 10 -8.112 12.610 -2.648 1.00 0.00 N ATOM 132 CA ALA A 10 -7.022 13.562 -2.791 1.00 0.00 C ATOM 133 C ALA A 10 -5.670 12.940 -2.433 1.00 0.00 C ATOM 134 O ALA A 10 -4.702 13.086 -3.178 1.00 0.00 O ATOM 135 CB ALA A 10 -7.286 14.781 -1.921 1.00 0.00 C ATOM 0 H ALA A 10 -8.703 12.770 -1.832 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.976 13.862 -3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.467 15.491 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.219 15.253 -2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.362 14.474 -0.878 1.00 0.00 H new ATOM 141 N ASP A 11 -5.607 12.236 -1.303 1.00 0.00 N ATOM 142 CA ASP A 11 -4.330 11.730 -0.790 1.00 0.00 C ATOM 143 C ASP A 11 -3.832 10.574 -1.640 1.00 0.00 C ATOM 144 O ASP A 11 -2.653 10.507 -1.999 1.00 0.00 O ATOM 145 CB ASP A 11 -4.456 11.324 0.689 1.00 0.00 C ATOM 146 CG ASP A 11 -4.819 9.879 0.934 1.00 0.00 C ATOM 147 OD1 ASP A 11 -6.012 9.541 0.875 1.00 0.00 O ATOM 148 OD2 ASP A 11 -3.916 9.094 1.256 1.00 0.00 O ATOM 0 H ASP A 11 -6.417 12.004 -0.728 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.594 12.531 -0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.510 11.533 1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.210 11.955 1.159 1.00 0.00 H new ATOM 153 N ILE A 12 -4.742 9.689 -1.973 1.00 0.00 N ATOM 154 CA ILE A 12 -4.448 8.588 -2.876 1.00 0.00 C ATOM 155 C ILE A 12 -4.011 9.111 -4.250 1.00 0.00 C ATOM 156 O ILE A 12 -3.013 8.650 -4.808 1.00 0.00 O ATOM 157 CB ILE A 12 -5.670 7.645 -2.995 1.00 0.00 C ATOM 158 CG1 ILE A 12 -5.506 6.431 -2.074 1.00 0.00 C ATOM 159 CG2 ILE A 12 -5.898 7.182 -4.425 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.346 6.776 -0.612 1.00 0.00 C ATOM 0 H ILE A 12 -5.703 9.706 -1.631 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.619 8.014 -2.463 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.545 8.217 -2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.375 5.783 -2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.636 5.859 -2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.765 6.523 -4.460 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.074 8.047 -5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.018 6.643 -4.778 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.236 5.860 -0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.461 7.398 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.226 7.320 -0.268 1.00 0.00 H new ATOM 172 N THR A 13 -4.739 10.097 -4.774 1.00 0.00 N ATOM 173 CA THR A 13 -4.405 10.693 -6.063 1.00 0.00 C ATOM 174 C THR A 13 -3.042 11.382 -6.019 1.00 0.00 C ATOM 175 O THR A 13 -2.336 11.423 -7.019 1.00 0.00 O ATOM 176 CB THR A 13 -5.495 11.688 -6.517 1.00 0.00 C ATOM 177 OG1 THR A 13 -6.702 10.976 -6.808 1.00 0.00 O ATOM 178 CG2 THR A 13 -5.073 12.484 -7.742 1.00 0.00 C ATOM 0 H THR A 13 -5.562 10.498 -4.325 1.00 0.00 H new ATOM 0 HA THR A 13 -4.355 9.884 -6.792 1.00 0.00 H new ATOM 0 HB THR A 13 -5.655 12.393 -5.702 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.392 11.223 -6.158 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.872 13.170 -8.023 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.171 13.052 -7.514 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.873 11.802 -8.568 1.00 0.00 H new ATOM 186 N ALA A 14 -2.662 11.901 -4.858 1.00 0.00 N ATOM 187 CA ALA A 14 -1.355 12.528 -4.706 1.00 0.00 C ATOM 188 C ALA A 14 -0.246 11.518 -4.992 1.00 0.00 C ATOM 189 O ALA A 14 0.630 11.756 -5.830 1.00 0.00 O ATOM 190 CB ALA A 14 -1.200 13.114 -3.310 1.00 0.00 C ATOM 0 H ALA A 14 -3.235 11.901 -4.014 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.276 13.342 -5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.218 13.577 -3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.973 13.864 -3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.298 12.320 -2.569 1.00 0.00 H new ATOM 196 N ALA A 15 -0.309 10.380 -4.310 1.00 0.00 N ATOM 197 CA ALA A 15 0.675 9.320 -4.493 1.00 0.00 C ATOM 198 C ALA A 15 0.648 8.772 -5.921 1.00 0.00 C ATOM 199 O ALA A 15 1.690 8.447 -6.489 1.00 0.00 O ATOM 200 CB ALA A 15 0.435 8.202 -3.492 1.00 0.00 C ATOM 0 H ALA A 15 -1.033 10.168 -3.624 1.00 0.00 H new ATOM 0 HA ALA A 15 1.663 9.746 -4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.176 7.417 -3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.520 8.596 -2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.564 7.790 -3.639 1.00 0.00 H new ATOM 206 N LEU A 16 -0.543 8.684 -6.501 1.00 0.00 N ATOM 207 CA LEU A 16 -0.698 8.153 -7.852 1.00 0.00 C ATOM 208 C LEU A 16 -0.234 9.160 -8.905 1.00 0.00 C ATOM 209 O LEU A 16 0.214 8.779 -9.986 1.00 0.00 O ATOM 210 CB LEU A 16 -2.151 7.748 -8.098 1.00 0.00 C ATOM 211 CG LEU A 16 -2.661 6.624 -7.195 1.00 0.00 C ATOM 212 CD1 LEU A 16 -4.159 6.461 -7.350 1.00 0.00 C ATOM 213 CD2 LEU A 16 -1.952 5.317 -7.512 1.00 0.00 C ATOM 0 H LEU A 16 -1.415 8.973 -6.058 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.066 7.269 -7.941 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.786 8.623 -7.961 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.257 7.437 -9.137 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.444 6.891 -6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.507 5.657 -6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.657 7.391 -7.075 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.393 6.217 -8.386 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.329 4.531 -6.858 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.137 5.045 -8.551 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.880 5.437 -7.354 1.00 0.00 H new ATOM 225 N ALA A 17 -0.336 10.443 -8.586 1.00 0.00 N ATOM 226 CA ALA A 17 0.161 11.488 -9.468 1.00 0.00 C ATOM 227 C ALA A 17 1.680 11.544 -9.407 1.00 0.00 C ATOM 228 O ALA A 17 2.333 12.096 -10.292 1.00 0.00 O ATOM 229 CB ALA A 17 -0.438 12.838 -9.100 1.00 0.00 C ATOM 0 H ALA A 17 -0.759 10.784 -7.723 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.142 11.252 -10.488 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.052 13.603 -9.773 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.523 12.791 -9.189 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.169 13.088 -8.074 1.00 0.00 H new ATOM 235 N ALA A 18 2.240 10.967 -8.353 1.00 0.00 N ATOM 236 CA ALA A 18 3.683 10.865 -8.226 1.00 0.00 C ATOM 237 C ALA A 18 4.215 9.814 -9.189 1.00 0.00 C ATOM 238 O ALA A 18 5.272 9.983 -9.791 1.00 0.00 O ATOM 239 CB ALA A 18 4.076 10.533 -6.796 1.00 0.00 C ATOM 0 H ALA A 18 1.716 10.564 -7.576 1.00 0.00 H new ATOM 0 HA ALA A 18 4.126 11.828 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.161 10.461 -6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.719 11.318 -6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.630 9.581 -6.508 1.00 0.00 H new ATOM 245 N CYS A 19 3.453 8.742 -9.359 1.00 0.00 N ATOM 246 CA CYS A 19 3.843 7.670 -10.266 1.00 0.00 C ATOM 247 C CYS A 19 3.331 7.931 -11.678 1.00 0.00 C ATOM 248 O CYS A 19 3.241 7.021 -12.502 1.00 0.00 O ATOM 249 CB CYS A 19 3.335 6.322 -9.758 1.00 0.00 C ATOM 250 SG CYS A 19 1.540 6.222 -9.563 1.00 0.00 S ATOM 0 H CYS A 19 2.564 8.591 -8.883 1.00 0.00 H new ATOM 0 HA CYS A 19 4.932 7.642 -10.299 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.657 5.543 -10.449 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.804 6.110 -8.797 1.00 0.00 H new ATOM 0 HG CYS A 19 0.982 7.235 -10.157 1.00 0.00 H new ATOM 256 N LYS A 20 2.991 9.186 -11.949 1.00 0.00 N ATOM 257 CA LYS A 20 2.611 9.609 -13.286 1.00 0.00 C ATOM 258 C LYS A 20 3.849 9.620 -14.180 1.00 0.00 C ATOM 259 O LYS A 20 3.759 9.617 -15.409 1.00 0.00 O ATOM 260 CB LYS A 20 1.947 10.988 -13.214 1.00 0.00 C ATOM 261 CG LYS A 20 1.614 11.603 -14.561 1.00 0.00 C ATOM 262 CD LYS A 20 0.753 12.852 -14.412 1.00 0.00 C ATOM 263 CE LYS A 20 1.395 13.896 -13.506 1.00 0.00 C ATOM 264 NZ LYS A 20 2.642 14.463 -14.087 1.00 0.00 N ATOM 0 H LYS A 20 2.972 9.931 -11.253 1.00 0.00 H new ATOM 0 HA LYS A 20 1.890 8.914 -13.717 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.030 10.904 -12.631 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.607 11.666 -12.673 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.536 11.857 -15.083 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.090 10.871 -15.176 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.576 13.288 -15.395 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.220 12.573 -14.008 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.684 14.701 -13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.620 13.445 -12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.040 15.168 -13.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.333 13.700 -14.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.425 14.918 -14.997 1.00 0.00 H new ATOM 278 N ALA A 21 5.007 9.619 -13.538 1.00 0.00 N ATOM 279 CA ALA A 21 6.275 9.466 -14.225 1.00 0.00 C ATOM 280 C ALA A 21 6.804 8.057 -13.996 1.00 0.00 C ATOM 281 O ALA A 21 6.593 7.477 -12.930 1.00 0.00 O ATOM 282 CB ALA A 21 7.273 10.502 -13.730 1.00 0.00 C ATOM 0 H ALA A 21 5.092 9.724 -12.527 1.00 0.00 H new ATOM 0 HA ALA A 21 6.130 9.623 -15.294 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.220 10.375 -14.255 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.884 11.502 -13.921 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.431 10.372 -12.659 1.00 0.00 H new ATOM 288 N GLU A 22 7.473 7.503 -14.995 1.00 0.00 N ATOM 289 CA GLU A 22 8.003 6.150 -14.894 1.00 0.00 C ATOM 290 C GLU A 22 9.199 6.118 -13.950 1.00 0.00 C ATOM 291 O GLU A 22 10.045 7.014 -13.976 1.00 0.00 O ATOM 292 CB GLU A 22 8.401 5.624 -16.272 1.00 0.00 C ATOM 293 CG GLU A 22 7.239 5.543 -17.250 1.00 0.00 C ATOM 294 CD GLU A 22 7.656 5.013 -18.603 1.00 0.00 C ATOM 295 OE1 GLU A 22 8.233 5.785 -19.398 1.00 0.00 O ATOM 296 OE2 GLU A 22 7.409 3.821 -18.884 1.00 0.00 O ATOM 0 H GLU A 22 7.662 7.967 -15.883 1.00 0.00 H new ATOM 0 HA GLU A 22 7.223 5.505 -14.491 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.173 6.271 -16.690 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.841 4.633 -16.161 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.463 4.900 -16.835 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.801 6.534 -17.371 1.00 0.00 H new ATOM 303 N GLY A 23 9.256 5.095 -13.109 1.00 0.00 N ATOM 304 CA GLY A 23 10.316 4.996 -12.130 1.00 0.00 C ATOM 305 C GLY A 23 10.038 5.862 -10.923 1.00 0.00 C ATOM 306 O GLY A 23 10.938 6.156 -10.136 1.00 0.00 O ATOM 0 H GLY A 23 8.583 4.329 -13.089 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.427 3.958 -11.816 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.261 5.295 -12.584 1.00 0.00 H new ATOM 310 N SER A 24 8.790 6.285 -10.778 1.00 0.00 N ATOM 311 CA SER A 24 8.440 7.235 -9.741 1.00 0.00 C ATOM 312 C SER A 24 7.418 6.671 -8.750 1.00 0.00 C ATOM 313 O SER A 24 6.911 7.401 -7.894 1.00 0.00 O ATOM 314 CB SER A 24 7.923 8.527 -10.376 1.00 0.00 C ATOM 315 OG SER A 24 8.919 9.112 -11.201 1.00 0.00 O ATOM 0 H SER A 24 8.010 5.985 -11.363 1.00 0.00 H new ATOM 0 HA SER A 24 9.343 7.447 -9.169 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.031 8.317 -10.967 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.630 9.230 -9.596 1.00 0.00 H new ATOM 0 HG SER A 24 8.908 10.085 -11.087 1.00 0.00 H new ATOM 321 N PHE A 25 7.103 5.382 -8.852 1.00 0.00 N ATOM 322 CA PHE A 25 6.265 4.757 -7.839 1.00 0.00 C ATOM 323 C PHE A 25 7.120 4.283 -6.684 1.00 0.00 C ATOM 324 O PHE A 25 7.700 3.196 -6.730 1.00 0.00 O ATOM 325 CB PHE A 25 5.474 3.561 -8.366 1.00 0.00 C ATOM 326 CG PHE A 25 4.267 3.246 -7.518 1.00 0.00 C ATOM 327 CD1 PHE A 25 4.399 2.544 -6.330 1.00 0.00 C ATOM 328 CD2 PHE A 25 3.006 3.670 -7.897 1.00 0.00 C ATOM 329 CE1 PHE A 25 3.296 2.272 -5.544 1.00 0.00 C ATOM 330 CE2 PHE A 25 1.900 3.402 -7.113 1.00 0.00 C ATOM 331 CZ PHE A 25 2.046 2.700 -5.935 1.00 0.00 C ATOM 0 H PHE A 25 7.407 4.766 -9.606 1.00 0.00 H new ATOM 0 HA PHE A 25 5.553 5.519 -7.522 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.153 3.764 -9.388 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.125 2.688 -8.404 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.375 2.206 -6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.884 4.219 -8.819 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.414 1.723 -4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.923 3.742 -7.422 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.184 2.486 -5.321 1.00 0.00 H new ATOM 341 N ASP A 26 7.212 5.098 -5.660 1.00 0.00 N ATOM 342 CA ASP A 26 7.852 4.674 -4.437 1.00 0.00 C ATOM 343 C ASP A 26 6.824 3.973 -3.571 1.00 0.00 C ATOM 344 O ASP A 26 6.014 4.626 -2.913 1.00 0.00 O ATOM 345 CB ASP A 26 8.452 5.860 -3.678 1.00 0.00 C ATOM 346 CG ASP A 26 9.495 6.613 -4.472 1.00 0.00 C ATOM 347 OD1 ASP A 26 10.656 6.152 -4.535 1.00 0.00 O ATOM 348 OD2 ASP A 26 9.164 7.678 -5.030 1.00 0.00 O ATOM 0 H ASP A 26 6.854 6.053 -5.648 1.00 0.00 H new ATOM 0 HA ASP A 26 8.669 3.995 -4.684 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.652 6.546 -3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.900 5.500 -2.752 1.00 0.00 H new ATOM 353 N HIS A 27 6.826 2.641 -3.624 1.00 0.00 N ATOM 354 CA HIS A 27 5.945 1.817 -2.785 1.00 0.00 C ATOM 355 C HIS A 27 5.951 2.296 -1.341 1.00 0.00 C ATOM 356 O HIS A 27 4.943 2.238 -0.639 1.00 0.00 O ATOM 357 CB HIS A 27 6.360 0.332 -2.847 1.00 0.00 C ATOM 358 CG HIS A 27 7.511 -0.059 -1.957 1.00 0.00 C ATOM 359 ND1 HIS A 27 8.824 -0.044 -2.370 1.00 0.00 N ATOM 360 CD2 HIS A 27 7.530 -0.500 -0.673 1.00 0.00 C ATOM 361 CE1 HIS A 27 9.598 -0.458 -1.383 1.00 0.00 C ATOM 362 NE2 HIS A 27 8.839 -0.740 -0.342 1.00 0.00 N ATOM 0 H HIS A 27 7.432 2.103 -4.243 1.00 0.00 H new ATOM 0 HA HIS A 27 4.933 1.918 -3.177 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.497 -0.279 -2.584 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.621 0.089 -3.877 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.672 -0.637 -0.031 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.673 -0.550 -1.422 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.171 -1.080 0.560 1.00 0.00 H new ATOM 371 N LYS A 28 7.101 2.768 -0.923 1.00 0.00 N ATOM 372 CA LYS A 28 7.300 3.239 0.422 1.00 0.00 C ATOM 373 C LYS A 28 6.613 4.577 0.617 1.00 0.00 C ATOM 374 O LYS A 28 5.851 4.758 1.564 1.00 0.00 O ATOM 375 CB LYS A 28 8.789 3.369 0.649 1.00 0.00 C ATOM 376 CG LYS A 28 9.190 3.636 2.091 1.00 0.00 C ATOM 377 CD LYS A 28 10.700 3.675 2.246 1.00 0.00 C ATOM 378 CE LYS A 28 11.108 4.033 3.665 1.00 0.00 C ATOM 379 NZ LYS A 28 10.703 5.417 4.026 1.00 0.00 N ATOM 0 H LYS A 28 7.930 2.836 -1.513 1.00 0.00 H new ATOM 0 HA LYS A 28 6.870 2.539 1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.275 2.453 0.314 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.169 4.178 0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.764 4.584 2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.776 2.860 2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.119 2.704 1.980 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.119 4.403 1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.654 3.328 4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.188 3.932 3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.183 5.701 4.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.969 6.068 3.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.673 5.452 4.167 1.00 0.00 H new ATOM 393 N ALA A 29 6.871 5.504 -0.303 1.00 0.00 N ATOM 394 CA ALA A 29 6.241 6.813 -0.260 1.00 0.00 C ATOM 395 C ALA A 29 4.729 6.668 -0.285 1.00 0.00 C ATOM 396 O ALA A 29 4.022 7.426 0.357 1.00 0.00 O ATOM 397 CB ALA A 29 6.704 7.684 -1.415 1.00 0.00 C ATOM 0 H ALA A 29 7.512 5.369 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 29 6.537 7.300 0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.216 8.657 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.785 7.817 -1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.445 7.205 -2.359 1.00 0.00 H new ATOM 403 N PHE A 30 4.249 5.670 -1.015 1.00 0.00 N ATOM 404 CA PHE A 30 2.823 5.392 -1.096 1.00 0.00 C ATOM 405 C PHE A 30 2.249 5.089 0.289 1.00 0.00 C ATOM 406 O PHE A 30 1.362 5.798 0.766 1.00 0.00 O ATOM 407 CB PHE A 30 2.570 4.215 -2.046 1.00 0.00 C ATOM 408 CG PHE A 30 1.115 3.898 -2.260 1.00 0.00 C ATOM 409 CD1 PHE A 30 0.368 4.608 -3.186 1.00 0.00 C ATOM 410 CD2 PHE A 30 0.497 2.889 -1.539 1.00 0.00 C ATOM 411 CE1 PHE A 30 -0.968 4.319 -3.390 1.00 0.00 C ATOM 412 CE2 PHE A 30 -0.839 2.596 -1.736 1.00 0.00 C ATOM 413 CZ PHE A 30 -1.572 3.312 -2.663 1.00 0.00 C ATOM 0 H PHE A 30 4.831 5.036 -1.562 1.00 0.00 H new ATOM 0 HA PHE A 30 2.321 6.277 -1.486 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.028 4.436 -3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.069 3.330 -1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.836 5.397 -3.756 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.066 2.325 -0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.538 4.879 -4.116 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.310 1.808 -1.166 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.616 3.084 -2.819 1.00 0.00 H new ATOM 423 N PHE A 31 2.783 4.058 0.946 1.00 0.00 N ATOM 424 CA PHE A 31 2.245 3.604 2.230 1.00 0.00 C ATOM 425 C PHE A 31 2.364 4.685 3.285 1.00 0.00 C ATOM 426 O PHE A 31 1.503 4.834 4.153 1.00 0.00 O ATOM 427 CB PHE A 31 2.928 2.294 2.687 1.00 0.00 C ATOM 428 CG PHE A 31 4.297 2.382 3.325 1.00 0.00 C ATOM 429 CD1 PHE A 31 4.504 3.049 4.518 1.00 0.00 C ATOM 430 CD2 PHE A 31 5.370 1.735 2.737 1.00 0.00 C ATOM 431 CE1 PHE A 31 5.752 3.080 5.108 1.00 0.00 C ATOM 432 CE2 PHE A 31 6.621 1.765 3.319 1.00 0.00 C ATOM 433 CZ PHE A 31 6.813 2.438 4.506 1.00 0.00 C ATOM 0 H PHE A 31 3.585 3.523 0.612 1.00 0.00 H new ATOM 0 HA PHE A 31 1.184 3.393 2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.262 1.802 3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.008 1.640 1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.677 3.553 4.996 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.226 1.199 1.810 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.897 3.606 6.040 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.450 1.261 2.844 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.791 2.462 4.963 1.00 0.00 H new ATOM 443 N THR A 32 3.425 5.441 3.185 1.00 0.00 N ATOM 444 CA THR A 32 3.777 6.405 4.191 1.00 0.00 C ATOM 445 C THR A 32 3.074 7.745 3.946 1.00 0.00 C ATOM 446 O THR A 32 2.943 8.566 4.853 1.00 0.00 O ATOM 447 CB THR A 32 5.311 6.517 4.242 1.00 0.00 C ATOM 448 OG1 THR A 32 5.746 7.039 5.506 1.00 0.00 O ATOM 449 CG2 THR A 32 5.856 7.385 3.118 1.00 0.00 C ATOM 0 H THR A 32 4.073 5.404 2.398 1.00 0.00 H new ATOM 0 HA THR A 32 3.429 6.078 5.171 1.00 0.00 H new ATOM 0 HB THR A 32 5.704 5.508 4.115 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.724 7.100 5.516 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.942 7.437 3.192 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.578 6.952 2.157 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.439 8.389 3.198 1.00 0.00 H new ATOM 457 N LYS A 33 2.614 7.953 2.717 1.00 0.00 N ATOM 458 CA LYS A 33 1.896 9.169 2.353 1.00 0.00 C ATOM 459 C LYS A 33 0.407 9.026 2.653 1.00 0.00 C ATOM 460 O LYS A 33 -0.189 9.893 3.295 1.00 0.00 O ATOM 461 CB LYS A 33 2.114 9.461 0.869 1.00 0.00 C ATOM 462 CG LYS A 33 1.633 10.825 0.404 1.00 0.00 C ATOM 463 CD LYS A 33 2.116 11.120 -1.012 1.00 0.00 C ATOM 464 CE LYS A 33 3.635 11.254 -1.064 1.00 0.00 C ATOM 465 NZ LYS A 33 4.136 11.518 -2.440 1.00 0.00 N ATOM 0 H LYS A 33 2.727 7.289 1.951 1.00 0.00 H new ATOM 0 HA LYS A 33 2.281 10.000 2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.178 9.374 0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.605 8.695 0.285 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.544 10.861 0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.997 11.595 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.796 10.321 -1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.655 12.040 -1.371 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.948 12.064 -0.405 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.091 10.340 -0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.173 11.601 -2.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.862 10.734 -3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.724 12.404 -2.795 1.00 0.00 H new ATOM 479 N VAL A 34 -0.186 7.922 2.209 1.00 0.00 N ATOM 480 CA VAL A 34 -1.603 7.685 2.387 1.00 0.00 C ATOM 481 C VAL A 34 -1.929 7.316 3.839 1.00 0.00 C ATOM 482 O VAL A 34 -3.058 7.489 4.296 1.00 0.00 O ATOM 483 CB VAL A 34 -2.077 6.563 1.444 1.00 0.00 C ATOM 484 CG1 VAL A 34 -1.708 6.881 0.003 1.00 0.00 C ATOM 485 CG2 VAL A 34 -1.511 5.212 1.856 1.00 0.00 C ATOM 0 H VAL A 34 0.305 7.174 1.719 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.129 8.608 2.144 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.163 6.505 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.052 6.076 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.182 7.816 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.626 6.979 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.866 4.444 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.422 5.250 1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.839 4.973 2.868 1.00 0.00 H new ATOM 495 N GLY A 35 -0.933 6.803 4.557 1.00 0.00 N ATOM 496 CA GLY A 35 -1.113 6.505 5.967 1.00 0.00 C ATOM 497 C GLY A 35 -1.258 5.021 6.257 1.00 0.00 C ATOM 498 O GLY A 35 -1.659 4.640 7.353 1.00 0.00 O ATOM 0 H GLY A 35 -0.006 6.589 4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.261 6.895 6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.998 7.027 6.331 1.00 0.00 H new ATOM 502 N LEU A 36 -0.910 4.180 5.288 1.00 0.00 N ATOM 503 CA LEU A 36 -1.047 2.731 5.445 1.00 0.00 C ATOM 504 C LEU A 36 -0.111 2.177 6.507 1.00 0.00 C ATOM 505 O LEU A 36 -0.392 1.142 7.110 1.00 0.00 O ATOM 506 CB LEU A 36 -0.812 2.015 4.121 1.00 0.00 C ATOM 507 CG LEU A 36 -2.052 1.885 3.247 1.00 0.00 C ATOM 508 CD1 LEU A 36 -1.661 1.487 1.836 1.00 0.00 C ATOM 509 CD2 LEU A 36 -3.007 0.855 3.824 1.00 0.00 C ATOM 0 H LEU A 36 -0.532 4.473 4.387 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.070 2.547 5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.044 2.551 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.420 1.019 4.325 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.553 2.852 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.557 1.398 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.005 2.247 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.140 0.530 1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.887 0.777 3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.509 -0.113 3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.311 1.161 4.825 1.00 0.00 H new ATOM 521 N ALA A 37 0.993 2.869 6.741 1.00 0.00 N ATOM 522 CA ALA A 37 1.940 2.457 7.766 1.00 0.00 C ATOM 523 C ALA A 37 1.298 2.524 9.148 1.00 0.00 C ATOM 524 O ALA A 37 1.720 1.833 10.076 1.00 0.00 O ATOM 525 CB ALA A 37 3.184 3.323 7.704 1.00 0.00 C ATOM 0 H ALA A 37 1.255 3.716 6.237 1.00 0.00 H new ATOM 0 HA ALA A 37 2.230 1.423 7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.886 3.007 8.475 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.650 3.220 6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.910 4.365 7.868 1.00 0.00 H new ATOM 531 N ALA A 38 0.268 3.353 9.271 1.00 0.00 N ATOM 532 CA ALA A 38 -0.478 3.472 10.513 1.00 0.00 C ATOM 533 C ALA A 38 -1.857 2.829 10.387 1.00 0.00 C ATOM 534 O ALA A 38 -2.600 2.741 11.367 1.00 0.00 O ATOM 535 CB ALA A 38 -0.607 4.934 10.913 1.00 0.00 C ATOM 0 H ALA A 38 -0.069 3.955 8.520 1.00 0.00 H new ATOM 0 HA ALA A 38 0.071 2.943 11.292 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.168 5.008 11.845 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.386 5.362 11.052 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.131 5.481 10.129 1.00 0.00 H new ATOM 541 N LYS A 39 -2.199 2.380 9.179 1.00 0.00 N ATOM 542 CA LYS A 39 -3.493 1.754 8.933 1.00 0.00 C ATOM 543 C LYS A 39 -3.660 0.459 9.712 1.00 0.00 C ATOM 544 O LYS A 39 -2.705 -0.288 9.931 1.00 0.00 O ATOM 545 CB LYS A 39 -3.687 1.485 7.445 1.00 0.00 C ATOM 546 CG LYS A 39 -4.122 2.712 6.665 1.00 0.00 C ATOM 547 CD LYS A 39 -5.497 3.170 7.104 1.00 0.00 C ATOM 548 CE LYS A 39 -6.089 4.168 6.132 1.00 0.00 C ATOM 549 NZ LYS A 39 -7.560 4.257 6.290 1.00 0.00 N ATOM 0 H LYS A 39 -1.597 2.439 8.358 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.253 2.455 9.278 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.754 1.109 7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.432 0.700 7.319 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.402 3.517 6.813 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.133 2.486 5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.158 2.308 7.189 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.432 3.621 8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.642 5.149 6.296 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.847 3.874 5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.893 5.173 5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.014 3.488 5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.807 4.172 7.297 1.00 0.00 H new ATOM 563 N SER A 40 -4.890 0.219 10.128 1.00 0.00 N ATOM 564 CA SER A 40 -5.253 -0.989 10.841 1.00 0.00 C ATOM 565 C SER A 40 -5.309 -2.165 9.868 1.00 0.00 C ATOM 566 O SER A 40 -5.628 -1.986 8.691 1.00 0.00 O ATOM 567 CB SER A 40 -6.619 -0.776 11.503 1.00 0.00 C ATOM 568 OG SER A 40 -7.040 -1.920 12.226 1.00 0.00 O ATOM 0 H SER A 40 -5.669 0.861 9.979 1.00 0.00 H new ATOM 0 HA SER A 40 -4.510 -1.212 11.606 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.567 0.080 12.176 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.359 -0.536 10.739 1.00 0.00 H new ATOM 0 HG SER A 40 -7.913 -1.745 12.635 1.00 0.00 H new ATOM 574 N PRO A 41 -4.987 -3.384 10.349 1.00 0.00 N ATOM 575 CA PRO A 41 -5.060 -4.610 9.543 1.00 0.00 C ATOM 576 C PRO A 41 -6.429 -4.812 8.893 1.00 0.00 C ATOM 577 O PRO A 41 -6.551 -5.538 7.909 1.00 0.00 O ATOM 578 CB PRO A 41 -4.787 -5.723 10.557 1.00 0.00 C ATOM 579 CG PRO A 41 -3.997 -5.070 11.634 1.00 0.00 C ATOM 580 CD PRO A 41 -4.498 -3.656 11.714 1.00 0.00 C ATOM 0 HA PRO A 41 -4.355 -4.584 8.712 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.716 -6.141 10.945 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.233 -6.545 10.103 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.132 -5.586 12.585 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.931 -5.094 11.406 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.293 -3.553 12.453 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.705 -2.965 12.001 1.00 0.00 H new ATOM 588 N ALA A 42 -7.452 -4.173 9.455 1.00 0.00 N ATOM 589 CA ALA A 42 -8.799 -4.231 8.897 1.00 0.00 C ATOM 590 C ALA A 42 -8.898 -3.379 7.636 1.00 0.00 C ATOM 591 O ALA A 42 -9.521 -3.773 6.647 1.00 0.00 O ATOM 592 CB ALA A 42 -9.816 -3.768 9.927 1.00 0.00 C ATOM 0 H ALA A 42 -7.372 -3.607 10.300 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.015 -5.265 8.630 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.817 -3.816 9.498 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.766 -4.414 10.804 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.596 -2.741 10.220 1.00 0.00 H new ATOM 598 N ASP A 43 -8.272 -2.211 7.675 1.00 0.00 N ATOM 599 CA ASP A 43 -8.238 -1.320 6.521 1.00 0.00 C ATOM 600 C ASP A 43 -7.340 -1.914 5.448 1.00 0.00 C ATOM 601 O ASP A 43 -7.705 -1.985 4.283 1.00 0.00 O ATOM 602 CB ASP A 43 -7.743 0.069 6.929 1.00 0.00 C ATOM 603 CG ASP A 43 -7.585 1.009 5.755 1.00 0.00 C ATOM 604 OD1 ASP A 43 -6.575 0.911 5.035 1.00 0.00 O ATOM 605 OD2 ASP A 43 -8.459 1.878 5.577 1.00 0.00 O ATOM 0 H ASP A 43 -7.779 -1.857 8.495 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.247 -1.214 6.122 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.443 0.503 7.643 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.785 -0.028 7.441 1.00 0.00 H new ATOM 610 N ILE A 44 -6.176 -2.387 5.858 1.00 0.00 N ATOM 611 CA ILE A 44 -5.273 -3.077 4.949 1.00 0.00 C ATOM 612 C ILE A 44 -5.946 -4.334 4.371 1.00 0.00 C ATOM 613 O ILE A 44 -5.593 -4.805 3.289 1.00 0.00 O ATOM 614 CB ILE A 44 -3.929 -3.402 5.658 1.00 0.00 C ATOM 615 CG1 ILE A 44 -2.990 -2.195 5.548 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.263 -4.653 5.091 1.00 0.00 C ATOM 617 CD1 ILE A 44 -1.712 -2.326 6.341 1.00 0.00 C ATOM 0 H ILE A 44 -5.832 -2.307 6.815 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.043 -2.420 4.110 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.143 -3.608 6.707 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.738 -2.040 4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.522 -1.304 5.883 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.328 -4.838 5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.927 -5.508 5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.058 -4.507 4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.107 -1.429 6.207 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.950 -2.448 7.398 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.155 -3.195 5.992 1.00 0.00 H new ATOM 629 N LYS A 45 -6.957 -4.842 5.071 1.00 0.00 N ATOM 630 CA LYS A 45 -7.705 -5.999 4.595 1.00 0.00 C ATOM 631 C LYS A 45 -8.637 -5.604 3.446 1.00 0.00 C ATOM 632 O LYS A 45 -8.815 -6.360 2.491 1.00 0.00 O ATOM 633 CB LYS A 45 -8.509 -6.631 5.732 1.00 0.00 C ATOM 634 CG LYS A 45 -8.880 -8.080 5.474 1.00 0.00 C ATOM 635 CD LYS A 45 -7.648 -8.972 5.452 1.00 0.00 C ATOM 636 CE LYS A 45 -8.011 -10.414 5.158 1.00 0.00 C ATOM 637 NZ LYS A 45 -6.818 -11.302 5.170 1.00 0.00 N ATOM 0 H LYS A 45 -7.275 -4.471 5.966 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.990 -6.734 4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.930 -6.570 6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.420 -6.053 5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.567 -8.425 6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.405 -8.159 4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.949 -8.611 4.697 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.138 -8.913 6.413 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.731 -10.765 5.897 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.498 -10.474 4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.110 -12.279 4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.141 -10.984 4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.367 -11.265 6.107 1.00 0.00 H new ATOM 651 N LYS A 46 -9.238 -4.420 3.521 1.00 0.00 N ATOM 652 CA LYS A 46 -10.037 -3.939 2.399 1.00 0.00 C ATOM 653 C LYS A 46 -9.108 -3.519 1.266 1.00 0.00 C ATOM 654 O LYS A 46 -9.473 -3.551 0.086 1.00 0.00 O ATOM 655 CB LYS A 46 -11.003 -2.808 2.812 1.00 0.00 C ATOM 656 CG LYS A 46 -10.353 -1.549 3.375 1.00 0.00 C ATOM 657 CD LYS A 46 -10.026 -0.518 2.299 1.00 0.00 C ATOM 658 CE LYS A 46 -11.289 0.023 1.641 1.00 0.00 C ATOM 659 NZ LYS A 46 -11.007 1.178 0.747 1.00 0.00 N ATOM 0 H LYS A 46 -9.190 -3.791 4.323 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.673 -4.751 2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.597 -2.529 1.942 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.694 -3.201 3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.020 -1.100 4.111 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.437 -1.822 3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.464 0.305 2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.386 -0.971 1.542 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.766 -0.771 1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.997 0.327 2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.904 1.587 0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.470 1.899 1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.450 0.857 -0.070 1.00 0.00 H new ATOM 673 N VAL A 47 -7.884 -3.159 1.633 1.00 0.00 N ATOM 674 CA VAL A 47 -6.847 -2.900 0.653 1.00 0.00 C ATOM 675 C VAL A 47 -6.463 -4.198 -0.052 1.00 0.00 C ATOM 676 O VAL A 47 -6.128 -4.186 -1.234 1.00 0.00 O ATOM 677 CB VAL A 47 -5.606 -2.231 1.282 1.00 0.00 C ATOM 678 CG1 VAL A 47 -4.539 -1.970 0.231 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.000 -0.930 1.965 1.00 0.00 C ATOM 0 H VAL A 47 -7.590 -3.041 2.602 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.248 -2.198 -0.079 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.192 -2.911 2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.675 -1.498 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.236 -2.914 -0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.940 -1.310 -0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.116 -0.468 2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.437 -0.252 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.729 -1.137 2.748 1.00 0.00 H new ATOM 689 N PHE A 48 -6.541 -5.321 0.669 1.00 0.00 N ATOM 690 CA PHE A 48 -6.405 -6.642 0.051 1.00 0.00 C ATOM 691 C PHE A 48 -7.390 -6.770 -1.097 1.00 0.00 C ATOM 692 O PHE A 48 -7.024 -7.176 -2.201 1.00 0.00 O ATOM 693 CB PHE A 48 -6.627 -7.764 1.086 1.00 0.00 C ATOM 694 CG PHE A 48 -7.505 -8.907 0.612 1.00 0.00 C ATOM 695 CD1 PHE A 48 -7.093 -9.759 -0.405 1.00 0.00 C ATOM 696 CD2 PHE A 48 -8.750 -9.119 1.186 1.00 0.00 C ATOM 697 CE1 PHE A 48 -7.902 -10.793 -0.835 1.00 0.00 C ATOM 698 CE2 PHE A 48 -9.562 -10.150 0.757 1.00 0.00 C ATOM 699 CZ PHE A 48 -9.137 -10.988 -0.254 1.00 0.00 C ATOM 0 H PHE A 48 -6.697 -5.341 1.677 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.391 -6.745 -0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.657 -8.167 1.377 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.073 -7.330 1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.127 -9.611 -0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -9.089 -8.469 1.979 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.567 -11.448 -1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -10.530 -10.301 1.212 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.771 -11.795 -0.590 1.00 0.00 H new ATOM 709 N GLU A 49 -8.637 -6.400 -0.828 1.00 0.00 N ATOM 710 CA GLU A 49 -9.677 -6.427 -1.847 1.00 0.00 C ATOM 711 C GLU A 49 -9.305 -5.520 -3.014 1.00 0.00 C ATOM 712 O GLU A 49 -9.799 -5.696 -4.126 1.00 0.00 O ATOM 713 CB GLU A 49 -11.015 -5.982 -1.258 1.00 0.00 C ATOM 714 CG GLU A 49 -11.472 -6.805 -0.068 1.00 0.00 C ATOM 715 CD GLU A 49 -12.758 -6.277 0.525 1.00 0.00 C ATOM 716 OE1 GLU A 49 -12.734 -5.183 1.117 1.00 0.00 O ATOM 717 OE2 GLU A 49 -13.804 -6.952 0.405 1.00 0.00 O ATOM 0 H GLU A 49 -8.951 -6.078 0.087 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.771 -7.451 -2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.937 -4.938 -0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.777 -6.033 -2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.613 -7.841 -0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.693 -6.803 0.695 1.00 0.00 H new ATOM 724 N ILE A 50 -8.452 -4.535 -2.750 1.00 0.00 N ATOM 725 CA ILE A 50 -7.995 -3.626 -3.792 1.00 0.00 C ATOM 726 C ILE A 50 -6.942 -4.271 -4.711 1.00 0.00 C ATOM 727 O ILE A 50 -7.154 -4.310 -5.924 1.00 0.00 O ATOM 728 CB ILE A 50 -7.442 -2.308 -3.219 1.00 0.00 C ATOM 729 CG1 ILE A 50 -8.423 -1.713 -2.211 1.00 0.00 C ATOM 730 CG2 ILE A 50 -7.209 -1.318 -4.344 1.00 0.00 C ATOM 731 CD1 ILE A 50 -7.906 -0.461 -1.535 1.00 0.00 C ATOM 0 H ILE A 50 -8.065 -4.347 -1.825 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.880 -3.399 -4.387 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.499 -2.515 -2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.359 -1.482 -2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.649 -2.461 -1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.818 -0.387 -3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.491 -1.733 -5.051 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.151 -1.121 -4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.653 -0.092 -0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.985 -0.691 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.707 0.303 -2.287 1.00 0.00 H new ATOM 743 N ILE A 51 -5.813 -4.783 -4.160 1.00 0.00 N ATOM 744 CA ILE A 51 -4.797 -5.429 -5.015 1.00 0.00 C ATOM 745 C ILE A 51 -5.425 -6.625 -5.698 1.00 0.00 C ATOM 746 O ILE A 51 -5.122 -6.932 -6.852 1.00 0.00 O ATOM 747 CB ILE A 51 -3.473 -5.881 -4.293 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.754 -6.486 -2.896 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.485 -4.722 -4.205 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.558 -5.508 -1.752 1.00 0.00 C ATOM 0 H ILE A 51 -5.591 -4.762 -3.165 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.482 -4.660 -5.720 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.022 -6.670 -4.896 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.778 -6.858 -2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.099 -7.344 -2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.577 -5.055 -3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.239 -4.377 -5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.933 -3.904 -3.640 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.774 -6.006 -0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.527 -5.154 -1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.232 -4.661 -1.878 1.00 0.00 H new ATOM 762 N ASP A 52 -6.330 -7.286 -4.990 1.00 0.00 N ATOM 763 CA ASP A 52 -7.077 -8.373 -5.577 1.00 0.00 C ATOM 764 C ASP A 52 -8.259 -7.801 -6.355 1.00 0.00 C ATOM 765 O ASP A 52 -9.396 -7.870 -5.890 1.00 0.00 O ATOM 766 CB ASP A 52 -7.601 -9.344 -4.510 1.00 0.00 C ATOM 767 CG ASP A 52 -7.716 -10.767 -5.038 1.00 0.00 C ATOM 768 OD1 ASP A 52 -7.698 -10.955 -6.280 1.00 0.00 O ATOM 769 OD2 ASP A 52 -7.821 -11.707 -4.230 1.00 0.00 O ATOM 0 H ASP A 52 -6.559 -7.086 -4.016 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.409 -8.926 -6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.933 -9.330 -3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.577 -9.007 -4.162 1.00 0.00 H new ATOM 774 N GLN A 53 -7.993 -7.216 -7.522 1.00 0.00 N ATOM 775 CA GLN A 53 -9.047 -6.617 -8.344 1.00 0.00 C ATOM 776 C GLN A 53 -10.166 -7.624 -8.591 1.00 0.00 C ATOM 777 O GLN A 53 -11.351 -7.312 -8.474 1.00 0.00 O ATOM 778 CB GLN A 53 -8.462 -6.138 -9.680 1.00 0.00 C ATOM 779 CG GLN A 53 -9.505 -5.718 -10.711 1.00 0.00 C ATOM 780 CD GLN A 53 -10.297 -4.487 -10.307 1.00 0.00 C ATOM 781 OE1 GLN A 53 -9.914 -3.360 -10.617 1.00 0.00 O ATOM 782 NE2 GLN A 53 -11.414 -4.692 -9.627 1.00 0.00 N ATOM 0 H GLN A 53 -7.057 -7.143 -7.921 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.462 -5.761 -7.812 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.797 -5.296 -9.490 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.852 -6.936 -10.103 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.007 -5.524 -11.661 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.195 -6.546 -10.876 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.699 -5.642 -9.388 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.990 -3.900 -9.342 1.00 0.00 H new ATOM 791 N ASP A 54 -9.759 -8.835 -8.902 1.00 0.00 N ATOM 792 CA ASP A 54 -10.694 -9.936 -9.163 1.00 0.00 C ATOM 793 C ASP A 54 -11.135 -10.616 -7.868 1.00 0.00 C ATOM 794 O ASP A 54 -12.056 -11.432 -7.884 1.00 0.00 O ATOM 795 CB ASP A 54 -10.051 -10.985 -10.073 1.00 0.00 C ATOM 796 CG ASP A 54 -9.634 -10.427 -11.412 1.00 0.00 C ATOM 797 OD1 ASP A 54 -10.486 -9.825 -12.101 1.00 0.00 O ATOM 798 OD2 ASP A 54 -8.458 -10.589 -11.793 1.00 0.00 O ATOM 0 H ASP A 54 -8.776 -9.096 -8.984 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.567 -9.504 -9.652 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.179 -11.406 -9.573 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.754 -11.803 -10.229 1.00 0.00 H new ATOM 803 N LYS A 55 -10.483 -10.254 -6.762 1.00 0.00 N ATOM 804 CA LYS A 55 -10.796 -10.761 -5.413 1.00 0.00 C ATOM 805 C LYS A 55 -11.204 -12.234 -5.392 1.00 0.00 C ATOM 806 O LYS A 55 -12.334 -12.580 -5.040 1.00 0.00 O ATOM 807 CB LYS A 55 -11.840 -9.883 -4.709 1.00 0.00 C ATOM 808 CG LYS A 55 -13.113 -9.644 -5.498 1.00 0.00 C ATOM 809 CD LYS A 55 -14.027 -8.688 -4.763 1.00 0.00 C ATOM 810 CE LYS A 55 -15.251 -8.335 -5.594 1.00 0.00 C ATOM 811 NZ LYS A 55 -16.063 -9.534 -5.935 1.00 0.00 N ATOM 0 H LYS A 55 -9.709 -9.590 -6.772 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.864 -10.700 -4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.101 -10.347 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.386 -8.919 -4.479 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.868 -9.238 -6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.627 -10.591 -5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.343 -9.137 -3.821 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.480 -7.778 -4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.868 -7.624 -5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.934 -7.840 -6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.953 -9.235 -6.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.531 -10.138 -6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.274 -10.068 -5.068 1.00 0.00 H new ATOM 825 N SER A 56 -10.274 -13.094 -5.777 1.00 0.00 N ATOM 826 CA SER A 56 -10.500 -14.530 -5.743 1.00 0.00 C ATOM 827 C SER A 56 -9.400 -15.220 -4.938 1.00 0.00 C ATOM 828 O SER A 56 -8.991 -16.340 -5.249 1.00 0.00 O ATOM 829 CB SER A 56 -10.570 -15.091 -7.163 1.00 0.00 C ATOM 830 OG SER A 56 -9.426 -14.733 -7.915 1.00 0.00 O ATOM 0 H SER A 56 -9.352 -12.821 -6.118 1.00 0.00 H new ATOM 0 HA SER A 56 -11.454 -14.724 -5.253 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.656 -16.177 -7.123 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.466 -14.718 -7.660 1.00 0.00 H new ATOM 0 HG SER A 56 -9.498 -15.107 -8.818 1.00 0.00 H new ATOM 836 N ASP A 57 -8.913 -14.506 -3.918 1.00 0.00 N ATOM 837 CA ASP A 57 -7.921 -15.014 -2.956 1.00 0.00 C ATOM 838 C ASP A 57 -6.507 -14.998 -3.530 1.00 0.00 C ATOM 839 O ASP A 57 -5.545 -15.328 -2.836 1.00 0.00 O ATOM 840 CB ASP A 57 -8.258 -16.434 -2.469 1.00 0.00 C ATOM 841 CG ASP A 57 -9.636 -16.544 -1.848 1.00 0.00 C ATOM 842 OD1 ASP A 57 -9.884 -15.909 -0.805 1.00 0.00 O ATOM 843 OD2 ASP A 57 -10.477 -17.290 -2.396 1.00 0.00 O ATOM 0 H ASP A 57 -9.199 -13.545 -3.732 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.961 -14.336 -2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.190 -17.125 -3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.512 -16.747 -1.738 1.00 0.00 H new ATOM 848 N PHE A 58 -6.373 -14.591 -4.782 1.00 0.00 N ATOM 849 CA PHE A 58 -5.061 -14.483 -5.410 1.00 0.00 C ATOM 850 C PHE A 58 -4.918 -13.124 -6.069 1.00 0.00 C ATOM 851 O PHE A 58 -5.816 -12.675 -6.775 1.00 0.00 O ATOM 852 CB PHE A 58 -4.843 -15.594 -6.439 1.00 0.00 C ATOM 853 CG PHE A 58 -4.812 -16.971 -5.839 1.00 0.00 C ATOM 854 CD1 PHE A 58 -3.681 -17.426 -5.180 1.00 0.00 C ATOM 855 CD2 PHE A 58 -5.914 -17.807 -5.928 1.00 0.00 C ATOM 856 CE1 PHE A 58 -3.648 -18.690 -4.623 1.00 0.00 C ATOM 857 CE2 PHE A 58 -5.887 -19.071 -5.372 1.00 0.00 C ATOM 858 CZ PHE A 58 -4.752 -19.513 -4.720 1.00 0.00 C ATOM 0 H PHE A 58 -7.153 -14.330 -5.385 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.302 -14.592 -4.635 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.637 -15.549 -7.184 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.904 -15.414 -6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.815 -16.785 -5.101 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.803 -17.466 -6.438 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.760 -19.033 -4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.752 -19.713 -5.447 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.728 -20.502 -4.286 1.00 0.00 H new ATOM 868 N VAL A 59 -3.800 -12.469 -5.829 1.00 0.00 N ATOM 869 CA VAL A 59 -3.580 -11.112 -6.310 1.00 0.00 C ATOM 870 C VAL A 59 -2.434 -11.065 -7.318 1.00 0.00 C ATOM 871 O VAL A 59 -1.286 -10.870 -6.941 1.00 0.00 O ATOM 872 CB VAL A 59 -3.249 -10.181 -5.134 1.00 0.00 C ATOM 873 CG1 VAL A 59 -2.981 -8.780 -5.602 1.00 0.00 C ATOM 874 CG2 VAL A 59 -4.349 -10.205 -4.089 1.00 0.00 C ATOM 0 H VAL A 59 -3.020 -12.856 -5.298 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.496 -10.781 -6.800 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.337 -10.554 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.750 -8.148 -4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.135 -8.782 -6.290 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.863 -8.392 -6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.087 -9.537 -3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.286 -9.877 -4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.466 -11.219 -3.707 1.00 0.00 H new ATOM 884 N GLU A 60 -2.748 -11.235 -8.593 1.00 0.00 N ATOM 885 CA GLU A 60 -1.719 -11.321 -9.626 1.00 0.00 C ATOM 886 C GLU A 60 -1.422 -9.957 -10.264 1.00 0.00 C ATOM 887 O GLU A 60 -2.157 -8.995 -10.037 1.00 0.00 O ATOM 888 CB GLU A 60 -2.134 -12.342 -10.683 1.00 0.00 C ATOM 889 CG GLU A 60 -2.338 -13.735 -10.107 1.00 0.00 C ATOM 890 CD GLU A 60 -2.769 -14.746 -11.146 1.00 0.00 C ATOM 891 OE1 GLU A 60 -1.892 -15.349 -11.794 1.00 0.00 O ATOM 892 OE2 GLU A 60 -3.989 -14.947 -11.319 1.00 0.00 O ATOM 0 H GLU A 60 -3.704 -11.316 -8.940 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.794 -11.651 -9.153 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.057 -12.011 -11.159 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.372 -12.383 -11.461 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.410 -14.071 -9.644 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.089 -13.690 -9.318 1.00 0.00 H new ATOM 899 N GLU A 61 -0.350 -9.881 -11.057 1.00 0.00 N ATOM 900 CA GLU A 61 0.090 -8.616 -11.664 1.00 0.00 C ATOM 901 C GLU A 61 -1.009 -7.962 -12.498 1.00 0.00 C ATOM 902 O GLU A 61 -1.248 -6.757 -12.388 1.00 0.00 O ATOM 903 CB GLU A 61 1.322 -8.840 -12.546 1.00 0.00 C ATOM 904 CG GLU A 61 1.722 -7.611 -13.354 1.00 0.00 C ATOM 905 CD GLU A 61 2.892 -7.869 -14.278 1.00 0.00 C ATOM 906 OE1 GLU A 61 2.672 -8.406 -15.385 1.00 0.00 O ATOM 907 OE2 GLU A 61 4.036 -7.532 -13.908 1.00 0.00 O ATOM 0 H GLU A 61 0.233 -10.683 -11.296 1.00 0.00 H new ATOM 0 HA GLU A 61 0.339 -7.946 -10.841 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.160 -9.140 -11.917 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.125 -9.666 -13.229 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.868 -7.276 -13.942 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.977 -6.801 -12.671 1.00 0.00 H new ATOM 914 N ASP A 62 -1.673 -8.762 -13.326 1.00 0.00 N ATOM 915 CA ASP A 62 -2.712 -8.259 -14.222 1.00 0.00 C ATOM 916 C ASP A 62 -3.813 -7.554 -13.439 1.00 0.00 C ATOM 917 O ASP A 62 -4.504 -6.683 -13.967 1.00 0.00 O ATOM 918 CB ASP A 62 -3.304 -9.396 -15.060 1.00 0.00 C ATOM 919 CG ASP A 62 -3.978 -10.462 -14.221 1.00 0.00 C ATOM 920 OD1 ASP A 62 -3.262 -11.273 -13.599 1.00 0.00 O ATOM 921 OD2 ASP A 62 -5.227 -10.506 -14.195 1.00 0.00 O ATOM 0 H ASP A 62 -1.510 -9.766 -13.396 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.251 -7.536 -14.894 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.028 -8.983 -15.763 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.511 -9.854 -15.652 1.00 0.00 H new ATOM 926 N GLU A 63 -3.955 -7.924 -12.176 1.00 0.00 N ATOM 927 CA GLU A 63 -4.896 -7.269 -11.290 1.00 0.00 C ATOM 928 C GLU A 63 -4.353 -5.941 -10.823 1.00 0.00 C ATOM 929 O GLU A 63 -5.057 -4.939 -10.840 1.00 0.00 O ATOM 930 CB GLU A 63 -5.183 -8.143 -10.087 1.00 0.00 C ATOM 931 CG GLU A 63 -5.938 -9.394 -10.443 1.00 0.00 C ATOM 932 CD GLU A 63 -6.296 -10.197 -9.234 1.00 0.00 C ATOM 933 OE1 GLU A 63 -5.506 -11.033 -8.787 1.00 0.00 O ATOM 934 OE2 GLU A 63 -7.390 -10.028 -8.689 1.00 0.00 O ATOM 0 H GLU A 63 -3.425 -8.680 -11.742 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.819 -7.101 -11.845 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.242 -8.415 -9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.758 -7.572 -9.358 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.847 -9.127 -10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.334 -10.002 -11.116 1.00 0.00 H new ATOM 941 N LEU A 64 -3.087 -5.936 -10.426 1.00 0.00 N ATOM 942 CA LEU A 64 -2.436 -4.734 -9.942 1.00 0.00 C ATOM 943 C LEU A 64 -2.374 -3.662 -11.015 1.00 0.00 C ATOM 944 O LEU A 64 -2.091 -2.505 -10.732 1.00 0.00 O ATOM 945 CB LEU A 64 -1.054 -5.023 -9.381 1.00 0.00 C ATOM 946 CG LEU A 64 -1.065 -5.376 -7.897 1.00 0.00 C ATOM 947 CD1 LEU A 64 -1.007 -6.881 -7.692 1.00 0.00 C ATOM 948 CD2 LEU A 64 0.064 -4.663 -7.175 1.00 0.00 C ATOM 0 H LEU A 64 -2.489 -6.762 -10.432 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.047 -4.353 -9.124 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.608 -5.846 -9.939 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.418 -4.151 -9.535 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.005 -5.032 -7.465 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.016 -7.103 -6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.871 -7.346 -8.167 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.093 -7.274 -8.137 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.042 -4.925 -6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.019 -4.966 -7.605 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.058 -3.585 -7.284 1.00 0.00 H new ATOM 960 N LYS A 65 -2.591 -4.055 -12.253 1.00 0.00 N ATOM 961 CA LYS A 65 -2.715 -3.085 -13.321 1.00 0.00 C ATOM 962 C LYS A 65 -3.900 -2.153 -13.079 1.00 0.00 C ATOM 963 O LYS A 65 -3.746 -0.934 -13.064 1.00 0.00 O ATOM 964 CB LYS A 65 -2.866 -3.773 -14.676 1.00 0.00 C ATOM 965 CG LYS A 65 -1.602 -4.451 -15.166 1.00 0.00 C ATOM 966 CD LYS A 65 -0.411 -3.513 -15.084 1.00 0.00 C ATOM 967 CE LYS A 65 0.749 -3.983 -15.946 1.00 0.00 C ATOM 968 NZ LYS A 65 0.326 -4.275 -17.340 1.00 0.00 N ATOM 0 H LYS A 65 -2.684 -5.029 -12.543 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.800 -2.494 -13.331 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.662 -4.515 -14.609 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.180 -3.035 -15.414 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.409 -5.342 -14.569 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.739 -4.781 -16.196 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.714 -2.515 -15.399 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.083 -3.434 -14.047 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.526 -3.219 -15.956 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.188 -4.878 -15.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.133 -4.144 -17.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.010 -5.257 -17.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.442 -3.629 -17.612 1.00 0.00 H new ATOM 982 N LEU A 66 -5.085 -2.724 -12.915 1.00 0.00 N ATOM 983 CA LEU A 66 -6.286 -1.920 -12.717 1.00 0.00 C ATOM 984 C LEU A 66 -6.721 -1.886 -11.258 1.00 0.00 C ATOM 985 O LEU A 66 -7.759 -1.301 -10.931 1.00 0.00 O ATOM 986 CB LEU A 66 -7.432 -2.408 -13.609 1.00 0.00 C ATOM 987 CG LEU A 66 -7.168 -2.315 -15.118 1.00 0.00 C ATOM 988 CD1 LEU A 66 -6.310 -1.097 -15.441 1.00 0.00 C ATOM 989 CD2 LEU A 66 -6.519 -3.588 -15.633 1.00 0.00 C ATOM 0 H LEU A 66 -5.242 -3.732 -12.915 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.033 -0.900 -13.006 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.651 -3.446 -13.358 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.325 -1.828 -13.376 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.126 -2.198 -15.624 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.135 -1.050 -16.516 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.825 -0.193 -15.117 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.355 -1.176 -14.921 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.342 -3.498 -16.705 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.570 -3.746 -15.120 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.179 -4.435 -15.444 1.00 0.00 H new ATOM 1001 N PHE A 67 -5.928 -2.489 -10.375 1.00 0.00 N ATOM 1002 CA PHE A 67 -6.253 -2.492 -8.950 1.00 0.00 C ATOM 1003 C PHE A 67 -6.316 -1.042 -8.457 1.00 0.00 C ATOM 1004 O PHE A 67 -6.981 -0.732 -7.475 1.00 0.00 O ATOM 1005 CB PHE A 67 -5.244 -3.325 -8.135 1.00 0.00 C ATOM 1006 CG PHE A 67 -4.166 -2.553 -7.404 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -3.014 -2.146 -8.048 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -4.307 -2.252 -6.060 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -2.025 -1.459 -7.371 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -3.324 -1.565 -5.376 1.00 0.00 C ATOM 1011 CZ PHE A 67 -2.181 -1.166 -6.033 1.00 0.00 C ATOM 0 H PHE A 67 -5.065 -2.977 -10.617 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.224 -2.966 -8.805 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.799 -3.913 -7.403 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.760 -4.031 -8.810 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.884 -2.368 -9.097 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.201 -2.560 -5.538 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.129 -1.151 -7.890 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.451 -1.341 -4.327 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.411 -0.626 -5.502 1.00 0.00 H new ATOM 1021 N LEU A 68 -5.616 -0.159 -9.175 1.00 0.00 N ATOM 1022 CA LEU A 68 -5.639 1.274 -8.893 1.00 0.00 C ATOM 1023 C LEU A 68 -7.037 1.836 -9.102 1.00 0.00 C ATOM 1024 O LEU A 68 -7.524 2.630 -8.300 1.00 0.00 O ATOM 1025 CB LEU A 68 -4.671 2.048 -9.800 1.00 0.00 C ATOM 1026 CG LEU A 68 -3.188 1.671 -9.724 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -2.727 1.565 -8.280 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -2.919 0.388 -10.490 1.00 0.00 C ATOM 0 H LEU A 68 -5.022 -0.418 -9.963 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.331 1.395 -7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.000 1.921 -10.831 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.763 3.108 -9.565 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.609 2.465 -10.195 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.671 1.296 -8.254 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.870 2.524 -7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.309 0.799 -7.768 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.860 0.139 -10.423 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.510 -0.422 -10.062 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.194 0.524 -11.536 1.00 0.00 H new ATOM 1040 N GLN A 69 -7.679 1.414 -10.185 1.00 0.00 N ATOM 1041 CA GLN A 69 -9.033 1.854 -10.493 1.00 0.00 C ATOM 1042 C GLN A 69 -10.015 1.188 -9.543 1.00 0.00 C ATOM 1043 O GLN A 69 -11.191 1.543 -9.475 1.00 0.00 O ATOM 1044 CB GLN A 69 -9.390 1.527 -11.945 1.00 0.00 C ATOM 1045 CG GLN A 69 -8.473 2.191 -12.959 1.00 0.00 C ATOM 1046 CD GLN A 69 -8.933 1.979 -14.386 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -10.125 1.827 -14.652 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -7.996 1.981 -15.317 1.00 0.00 N ATOM 0 H GLN A 69 -7.282 0.766 -10.866 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.090 2.935 -10.366 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.352 0.447 -12.086 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.417 1.838 -12.137 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.422 3.260 -12.752 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.464 1.796 -12.844 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.018 2.110 -15.056 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.250 1.854 -16.297 1.00 0.00 H new ATOM 1057 N ASN A 70 -9.510 0.203 -8.818 1.00 0.00 N ATOM 1058 CA ASN A 70 -10.271 -0.450 -7.765 1.00 0.00 C ATOM 1059 C ASN A 70 -10.019 0.265 -6.437 1.00 0.00 C ATOM 1060 O ASN A 70 -10.779 0.125 -5.480 1.00 0.00 O ATOM 1061 CB ASN A 70 -9.862 -1.922 -7.672 1.00 0.00 C ATOM 1062 CG ASN A 70 -10.729 -2.731 -6.730 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -11.917 -2.458 -6.562 1.00 0.00 O ATOM 1064 ND2 ASN A 70 -10.137 -3.742 -6.119 1.00 0.00 N ATOM 0 H ASN A 70 -8.567 -0.165 -8.942 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.336 -0.400 -7.993 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.906 -2.367 -8.666 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.825 -1.983 -7.341 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.668 -4.332 -5.478 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.149 -3.932 -6.288 1.00 0.00 H new ATOM 1071 N PHE A 71 -8.941 1.041 -6.403 1.00 0.00 N ATOM 1072 CA PHE A 71 -8.573 1.818 -5.225 1.00 0.00 C ATOM 1073 C PHE A 71 -9.293 3.161 -5.257 1.00 0.00 C ATOM 1074 O PHE A 71 -9.832 3.617 -4.250 1.00 0.00 O ATOM 1075 CB PHE A 71 -7.054 2.046 -5.204 1.00 0.00 C ATOM 1076 CG PHE A 71 -6.457 2.196 -3.827 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -7.029 3.034 -2.882 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -5.317 1.486 -3.481 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -6.476 3.159 -1.622 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -4.761 1.608 -2.224 1.00 0.00 C ATOM 1081 CZ PHE A 71 -5.341 2.445 -1.293 1.00 0.00 C ATOM 0 H PHE A 71 -8.300 1.149 -7.189 1.00 0.00 H new ATOM 0 HA PHE A 71 -8.864 1.271 -4.328 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.568 1.210 -5.706 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.827 2.941 -5.783 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.917 3.595 -3.134 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.858 0.829 -4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.931 3.815 -0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.873 1.049 -1.969 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.908 2.542 -0.308 1.00 0.00 H new ATOM 1091 N SER A 72 -9.299 3.777 -6.433 1.00 0.00 N ATOM 1092 CA SER A 72 -9.913 5.082 -6.627 1.00 0.00 C ATOM 1093 C SER A 72 -10.349 5.241 -8.081 1.00 0.00 C ATOM 1094 O SER A 72 -10.072 4.370 -8.906 1.00 0.00 O ATOM 1095 CB SER A 72 -8.924 6.180 -6.236 1.00 0.00 C ATOM 1096 OG SER A 72 -7.651 5.931 -6.807 1.00 0.00 O ATOM 0 H SER A 72 -8.879 3.386 -7.276 1.00 0.00 H new ATOM 0 HA SER A 72 -10.795 5.166 -5.992 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.296 7.148 -6.571 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.838 6.230 -5.151 1.00 0.00 H new ATOM 0 HG SER A 72 -7.133 6.763 -6.828 1.00 0.00 H new ATOM 1102 N ALA A 73 -11.022 6.338 -8.401 1.00 0.00 N ATOM 1103 CA ALA A 73 -11.504 6.552 -9.759 1.00 0.00 C ATOM 1104 C ALA A 73 -10.445 7.230 -10.621 1.00 0.00 C ATOM 1105 O ALA A 73 -10.188 6.813 -11.754 1.00 0.00 O ATOM 1106 CB ALA A 73 -12.783 7.374 -9.743 1.00 0.00 C ATOM 0 H ALA A 73 -11.245 7.087 -7.746 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.718 5.577 -10.198 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.131 7.526 -10.765 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.548 6.846 -9.174 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.588 8.341 -9.279 1.00 0.00 H new ATOM 1112 N GLY A 74 -9.804 8.251 -10.070 1.00 0.00 N ATOM 1113 CA GLY A 74 -8.818 8.999 -10.827 1.00 0.00 C ATOM 1114 C GLY A 74 -7.417 8.469 -10.618 1.00 0.00 C ATOM 1115 O GLY A 74 -6.507 9.214 -10.256 1.00 0.00 O ATOM 0 H GLY A 74 -9.948 8.575 -9.114 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.067 8.956 -11.887 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.856 10.048 -10.533 1.00 0.00 H new ATOM 1119 N ALA A 75 -7.242 7.181 -10.859 1.00 0.00 N ATOM 1120 CA ALA A 75 -5.970 6.527 -10.611 1.00 0.00 C ATOM 1121 C ALA A 75 -5.235 6.219 -11.909 1.00 0.00 C ATOM 1122 O ALA A 75 -5.813 6.283 -12.995 1.00 0.00 O ATOM 1123 CB ALA A 75 -6.189 5.259 -9.814 1.00 0.00 C ATOM 0 H ALA A 75 -7.968 6.566 -11.227 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.346 7.210 -10.035 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.230 4.774 -9.632 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.658 5.505 -8.861 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.836 4.584 -10.374 1.00 0.00 H new ATOM 1129 N ARG A 76 -3.958 5.884 -11.784 1.00 0.00 N ATOM 1130 CA ARG A 76 -3.119 5.597 -12.934 1.00 0.00 C ATOM 1131 C ARG A 76 -2.684 4.139 -12.915 1.00 0.00 C ATOM 1132 O ARG A 76 -2.373 3.600 -11.857 1.00 0.00 O ATOM 1133 CB ARG A 76 -1.881 6.497 -12.925 1.00 0.00 C ATOM 1134 CG ARG A 76 -2.194 7.977 -12.796 1.00 0.00 C ATOM 1135 CD ARG A 76 -3.141 8.440 -13.886 1.00 0.00 C ATOM 1136 NE ARG A 76 -2.599 8.197 -15.220 1.00 0.00 N ATOM 1137 CZ ARG A 76 -3.329 8.199 -16.331 1.00 0.00 C ATOM 1138 NH1 ARG A 76 -4.636 8.417 -16.272 1.00 0.00 N ATOM 1139 NH2 ARG A 76 -2.749 7.977 -17.501 1.00 0.00 N ATOM 0 H ARG A 76 -3.479 5.804 -10.887 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.696 5.790 -13.838 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.234 6.200 -12.099 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.319 6.334 -13.845 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.637 8.173 -11.820 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.269 8.552 -12.847 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.095 7.922 -13.782 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.341 9.504 -13.764 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.599 8.015 -15.305 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.085 8.584 -15.372 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.192 8.418 -17.127 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.745 7.805 -17.548 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.307 7.978 -18.355 1.00 0.00 H new ATOM 1153 N ALA A 77 -2.665 3.503 -14.079 1.00 0.00 N ATOM 1154 CA ALA A 77 -2.247 2.110 -14.171 1.00 0.00 C ATOM 1155 C ALA A 77 -0.735 1.997 -14.073 1.00 0.00 C ATOM 1156 O ALA A 77 -0.004 2.590 -14.870 1.00 0.00 O ATOM 1157 CB ALA A 77 -2.729 1.474 -15.467 1.00 0.00 C ATOM 0 H ALA A 77 -2.932 3.926 -14.968 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.699 1.575 -13.336 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.401 0.435 -15.506 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.817 1.513 -15.509 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.314 2.018 -16.316 1.00 0.00 H new ATOM 1163 N LEU A 78 -0.276 1.248 -13.086 1.00 0.00 N ATOM 1164 CA LEU A 78 1.143 0.986 -12.913 1.00 0.00 C ATOM 1165 C LEU A 78 1.648 0.097 -14.035 1.00 0.00 C ATOM 1166 O LEU A 78 1.249 -1.062 -14.140 1.00 0.00 O ATOM 1167 CB LEU A 78 1.402 0.310 -11.565 1.00 0.00 C ATOM 1168 CG LEU A 78 1.565 1.247 -10.361 1.00 0.00 C ATOM 1169 CD1 LEU A 78 0.400 2.220 -10.246 1.00 0.00 C ATOM 1170 CD2 LEU A 78 1.702 0.432 -9.085 1.00 0.00 C ATOM 0 H LEU A 78 -0.872 0.806 -12.386 1.00 0.00 H new ATOM 0 HA LEU A 78 1.675 1.937 -12.939 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.578 -0.373 -11.359 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.304 -0.296 -11.653 1.00 0.00 H new ATOM 0 HG LEU A 78 2.470 1.835 -10.512 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.550 2.867 -9.382 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.343 2.828 -11.149 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.529 1.663 -10.124 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.817 1.104 -8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.810 -0.179 -8.946 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.577 -0.214 -9.158 1.00 0.00 H new ATOM 1182 N SER A 79 2.516 0.634 -14.872 1.00 0.00 N ATOM 1183 CA SER A 79 3.050 -0.122 -15.986 1.00 0.00 C ATOM 1184 C SER A 79 4.561 -0.259 -15.868 1.00 0.00 C ATOM 1185 O SER A 79 5.244 0.656 -15.397 1.00 0.00 O ATOM 1186 CB SER A 79 2.682 0.550 -17.314 1.00 0.00 C ATOM 1187 OG SER A 79 3.115 -0.228 -18.420 1.00 0.00 O ATOM 0 H SER A 79 2.865 1.590 -14.801 1.00 0.00 H new ATOM 0 HA SER A 79 2.610 -1.119 -15.964 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.603 0.692 -17.366 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.136 1.540 -17.362 1.00 0.00 H new ATOM 0 HG SER A 79 4.065 -0.057 -18.588 1.00 0.00 H new ATOM 1193 N ASP A 80 5.061 -1.421 -16.276 1.00 0.00 N ATOM 1194 CA ASP A 80 6.494 -1.681 -16.359 1.00 0.00 C ATOM 1195 C ASP A 80 7.148 -1.676 -14.991 1.00 0.00 C ATOM 1196 O ASP A 80 6.874 -2.549 -14.164 1.00 0.00 O ATOM 1197 CB ASP A 80 7.182 -0.677 -17.295 1.00 0.00 C ATOM 1198 CG ASP A 80 6.665 -0.759 -18.716 1.00 0.00 C ATOM 1199 OD1 ASP A 80 7.006 -1.732 -19.420 1.00 0.00 O ATOM 1200 OD2 ASP A 80 5.905 0.147 -19.134 1.00 0.00 O ATOM 0 H ASP A 80 4.482 -2.211 -16.559 1.00 0.00 H new ATOM 0 HA ASP A 80 6.617 -2.680 -16.777 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.029 0.333 -16.914 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.257 -0.860 -17.292 1.00 0.00 H new ATOM 1205 N ALA A 81 7.985 -0.686 -14.739 1.00 0.00 N ATOM 1206 CA ALA A 81 8.803 -0.684 -13.544 1.00 0.00 C ATOM 1207 C ALA A 81 7.963 -0.480 -12.292 1.00 0.00 C ATOM 1208 O ALA A 81 8.267 -1.039 -11.240 1.00 0.00 O ATOM 1209 CB ALA A 81 9.888 0.377 -13.638 1.00 0.00 C ATOM 0 H ALA A 81 8.115 0.124 -15.345 1.00 0.00 H new ATOM 0 HA ALA A 81 9.278 -1.662 -13.469 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.491 0.362 -12.730 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.524 0.172 -14.500 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.428 1.359 -13.752 1.00 0.00 H new ATOM 1215 N GLU A 82 6.896 0.300 -12.412 1.00 0.00 N ATOM 1216 CA GLU A 82 6.054 0.611 -11.267 1.00 0.00 C ATOM 1217 C GLU A 82 5.432 -0.661 -10.744 1.00 0.00 C ATOM 1218 O GLU A 82 5.462 -0.934 -9.551 1.00 0.00 O ATOM 1219 CB GLU A 82 4.942 1.596 -11.635 1.00 0.00 C ATOM 1220 CG GLU A 82 5.338 2.614 -12.683 1.00 0.00 C ATOM 1221 CD GLU A 82 6.660 3.294 -12.384 1.00 0.00 C ATOM 1222 OE1 GLU A 82 6.761 4.024 -11.375 1.00 0.00 O ATOM 1223 OE2 GLU A 82 7.616 3.076 -13.151 1.00 0.00 O ATOM 0 H GLU A 82 6.595 0.727 -13.288 1.00 0.00 H new ATOM 0 HA GLU A 82 6.681 1.073 -10.505 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.080 1.035 -11.996 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.625 2.122 -10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.401 2.122 -13.653 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.557 3.370 -12.760 1.00 0.00 H new ATOM 1230 N THR A 83 4.883 -1.444 -11.661 1.00 0.00 N ATOM 1231 CA THR A 83 4.267 -2.708 -11.308 1.00 0.00 C ATOM 1232 C THR A 83 5.299 -3.654 -10.707 1.00 0.00 C ATOM 1233 O THR A 83 5.136 -4.118 -9.587 1.00 0.00 O ATOM 1234 CB THR A 83 3.629 -3.375 -12.536 1.00 0.00 C ATOM 1235 OG1 THR A 83 3.479 -2.409 -13.584 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.272 -3.965 -12.185 1.00 0.00 C ATOM 0 H THR A 83 4.853 -1.223 -12.656 1.00 0.00 H new ATOM 0 HA THR A 83 3.489 -2.500 -10.574 1.00 0.00 H new ATOM 0 HB THR A 83 4.281 -4.182 -12.871 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.526 -2.273 -13.770 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.839 -4.432 -13.069 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.392 -4.713 -11.401 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.611 -3.173 -11.832 1.00 0.00 H new ATOM 1244 N LYS A 84 6.377 -3.898 -11.447 1.00 0.00 N ATOM 1245 CA LYS A 84 7.399 -4.860 -11.046 1.00 0.00 C ATOM 1246 C LYS A 84 7.971 -4.550 -9.668 1.00 0.00 C ATOM 1247 O LYS A 84 7.944 -5.392 -8.771 1.00 0.00 O ATOM 1248 CB LYS A 84 8.532 -4.869 -12.068 1.00 0.00 C ATOM 1249 CG LYS A 84 8.118 -5.341 -13.450 1.00 0.00 C ATOM 1250 CD LYS A 84 7.692 -6.802 -13.439 1.00 0.00 C ATOM 1251 CE LYS A 84 7.293 -7.287 -14.824 1.00 0.00 C ATOM 1252 NZ LYS A 84 6.064 -6.615 -15.322 1.00 0.00 N ATOM 0 H LYS A 84 6.566 -3.437 -12.337 1.00 0.00 H new ATOM 0 HA LYS A 84 6.922 -5.839 -11.000 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.943 -3.862 -12.148 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.332 -5.512 -11.701 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.296 -4.725 -13.815 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.948 -5.209 -14.144 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.510 -7.416 -13.061 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.854 -6.931 -12.754 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.112 -7.106 -15.520 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.130 -8.364 -14.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.753 -7.070 -16.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.312 -6.694 -14.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.266 -5.611 -15.503 1.00 0.00 H new ATOM 1266 N VAL A 85 8.472 -3.339 -9.504 1.00 0.00 N ATOM 1267 CA VAL A 85 9.179 -2.962 -8.290 1.00 0.00 C ATOM 1268 C VAL A 85 8.228 -2.856 -7.096 1.00 0.00 C ATOM 1269 O VAL A 85 8.582 -3.225 -5.971 1.00 0.00 O ATOM 1270 CB VAL A 85 9.937 -1.636 -8.498 1.00 0.00 C ATOM 1271 CG1 VAL A 85 10.705 -1.242 -7.248 1.00 0.00 C ATOM 1272 CG2 VAL A 85 10.875 -1.758 -9.692 1.00 0.00 C ATOM 0 H VAL A 85 8.403 -2.596 -10.199 1.00 0.00 H new ATOM 0 HA VAL A 85 9.901 -3.748 -8.068 1.00 0.00 H new ATOM 0 HB VAL A 85 9.210 -0.849 -8.699 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.230 -0.303 -7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.010 -1.119 -6.418 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.427 -2.021 -7.004 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.408 -0.818 -9.834 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.593 -2.558 -9.511 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.297 -1.986 -10.587 1.00 0.00 H new ATOM 1282 N PHE A 86 7.017 -2.374 -7.344 1.00 0.00 N ATOM 1283 CA PHE A 86 6.005 -2.290 -6.299 1.00 0.00 C ATOM 1284 C PHE A 86 5.524 -3.688 -5.914 1.00 0.00 C ATOM 1285 O PHE A 86 5.238 -3.955 -4.749 1.00 0.00 O ATOM 1286 CB PHE A 86 4.844 -1.401 -6.760 1.00 0.00 C ATOM 1287 CG PHE A 86 3.655 -1.385 -5.838 1.00 0.00 C ATOM 1288 CD1 PHE A 86 3.742 -0.789 -4.594 1.00 0.00 C ATOM 1289 CD2 PHE A 86 2.452 -1.951 -6.222 1.00 0.00 C ATOM 1290 CE1 PHE A 86 2.654 -0.755 -3.746 1.00 0.00 C ATOM 1291 CE2 PHE A 86 1.357 -1.919 -5.380 1.00 0.00 C ATOM 1292 CZ PHE A 86 1.459 -1.320 -4.140 1.00 0.00 C ATOM 0 H PHE A 86 6.712 -2.036 -8.257 1.00 0.00 H new ATOM 0 HA PHE A 86 6.443 -1.834 -5.411 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.210 -0.381 -6.875 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.518 -1.736 -7.745 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.675 -0.344 -4.281 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.368 -2.423 -7.190 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.738 -0.287 -2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.422 -2.362 -5.691 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.605 -1.294 -3.480 1.00 0.00 H new ATOM 1302 N LEU A 87 5.458 -4.583 -6.894 1.00 0.00 N ATOM 1303 CA LEU A 87 5.146 -5.981 -6.625 1.00 0.00 C ATOM 1304 C LEU A 87 6.242 -6.605 -5.777 1.00 0.00 C ATOM 1305 O LEU A 87 5.969 -7.173 -4.728 1.00 0.00 O ATOM 1306 CB LEU A 87 4.987 -6.783 -7.924 1.00 0.00 C ATOM 1307 CG LEU A 87 3.723 -6.491 -8.737 1.00 0.00 C ATOM 1308 CD1 LEU A 87 3.787 -7.191 -10.083 1.00 0.00 C ATOM 1309 CD2 LEU A 87 2.479 -6.928 -7.981 1.00 0.00 C ATOM 0 H LEU A 87 5.616 -4.366 -7.878 1.00 0.00 H new ATOM 0 HA LEU A 87 4.199 -6.011 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.855 -6.592 -8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.000 -7.845 -7.677 1.00 0.00 H new ATOM 0 HG LEU A 87 3.667 -5.415 -8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.881 -6.974 -10.649 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.656 -6.835 -10.637 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.870 -8.267 -9.930 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.594 -6.710 -8.579 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.530 -7.999 -7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.420 -6.389 -7.036 1.00 0.00 H new ATOM 1321 N LYS A 88 7.486 -6.459 -6.226 1.00 0.00 N ATOM 1322 CA LYS A 88 8.639 -7.062 -5.556 1.00 0.00 C ATOM 1323 C LYS A 88 8.845 -6.514 -4.148 1.00 0.00 C ATOM 1324 O LYS A 88 9.584 -7.095 -3.351 1.00 0.00 O ATOM 1325 CB LYS A 88 9.906 -6.867 -6.390 1.00 0.00 C ATOM 1326 CG LYS A 88 9.943 -7.731 -7.636 1.00 0.00 C ATOM 1327 CD LYS A 88 10.165 -9.186 -7.272 1.00 0.00 C ATOM 1328 CE LYS A 88 10.212 -10.075 -8.503 1.00 0.00 C ATOM 1329 NZ LYS A 88 8.888 -10.162 -9.172 1.00 0.00 N ATOM 0 H LYS A 88 7.724 -5.923 -7.060 1.00 0.00 H new ATOM 0 HA LYS A 88 8.431 -8.128 -5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.984 -5.819 -6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.776 -7.093 -5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.007 -7.627 -8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.740 -7.391 -8.297 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.098 -9.284 -6.717 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.365 -9.522 -6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.949 -9.685 -9.205 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.541 -11.074 -8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.925 -10.880 -9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.164 -10.428 -8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.647 -9.239 -9.586 1.00 0.00 H new ATOM 1343 N ALA A 89 8.216 -5.384 -3.853 1.00 0.00 N ATOM 1344 CA ALA A 89 8.208 -4.854 -2.498 1.00 0.00 C ATOM 1345 C ALA A 89 7.585 -5.861 -1.534 1.00 0.00 C ATOM 1346 O ALA A 89 7.920 -5.899 -0.351 1.00 0.00 O ATOM 1347 CB ALA A 89 7.453 -3.538 -2.454 1.00 0.00 C ATOM 0 H ALA A 89 7.706 -4.819 -4.532 1.00 0.00 H new ATOM 0 HA ALA A 89 9.238 -4.675 -2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.454 -3.152 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.937 -2.819 -3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.425 -3.697 -2.781 1.00 0.00 H new ATOM 1353 N GLY A 90 6.678 -6.679 -2.056 1.00 0.00 N ATOM 1354 CA GLY A 90 6.059 -7.715 -1.257 1.00 0.00 C ATOM 1355 C GLY A 90 6.323 -9.098 -1.820 1.00 0.00 C ATOM 1356 O GLY A 90 6.613 -10.031 -1.070 1.00 0.00 O ATOM 0 H GLY A 90 6.360 -6.641 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 90 6.437 -7.661 -0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.984 -7.542 -1.208 1.00 0.00 H new ATOM 1360 N ASP A 91 6.251 -9.211 -3.146 1.00 0.00 N ATOM 1361 CA ASP A 91 6.460 -10.477 -3.848 1.00 0.00 C ATOM 1362 C ASP A 91 7.845 -11.032 -3.548 1.00 0.00 C ATOM 1363 O ASP A 91 8.853 -10.565 -4.082 1.00 0.00 O ATOM 1364 CB ASP A 91 6.291 -10.279 -5.361 1.00 0.00 C ATOM 1365 CG ASP A 91 6.772 -11.468 -6.176 1.00 0.00 C ATOM 1366 OD1 ASP A 91 6.731 -12.604 -5.670 1.00 0.00 O ATOM 1367 OD2 ASP A 91 7.216 -11.258 -7.330 1.00 0.00 O ATOM 0 H ASP A 91 6.046 -8.426 -3.764 1.00 0.00 H new ATOM 0 HA ASP A 91 5.715 -11.191 -3.498 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.239 -10.096 -5.582 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.841 -9.389 -5.668 1.00 0.00 H new ATOM 1372 N SER A 92 7.877 -12.019 -2.674 1.00 0.00 N ATOM 1373 CA SER A 92 9.114 -12.637 -2.250 1.00 0.00 C ATOM 1374 C SER A 92 9.344 -13.922 -3.029 1.00 0.00 C ATOM 1375 O SER A 92 10.389 -14.564 -2.915 1.00 0.00 O ATOM 1376 CB SER A 92 9.047 -12.922 -0.752 1.00 0.00 C ATOM 1377 OG SER A 92 8.647 -11.762 -0.037 1.00 0.00 O ATOM 0 H SER A 92 7.044 -12.414 -2.238 1.00 0.00 H new ATOM 0 HA SER A 92 9.948 -11.963 -2.446 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.343 -13.733 -0.562 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.022 -13.256 -0.397 1.00 0.00 H new ATOM 0 HG SER A 92 7.844 -11.382 -0.452 1.00 0.00 H new ATOM 1383 N ASP A 93 8.353 -14.288 -3.825 1.00 0.00 N ATOM 1384 CA ASP A 93 8.393 -15.537 -4.574 1.00 0.00 C ATOM 1385 C ASP A 93 8.980 -15.305 -5.954 1.00 0.00 C ATOM 1386 O ASP A 93 9.548 -16.209 -6.565 1.00 0.00 O ATOM 1387 CB ASP A 93 6.991 -16.131 -4.719 1.00 0.00 C ATOM 1388 CG ASP A 93 6.169 -15.997 -3.458 1.00 0.00 C ATOM 1389 OD1 ASP A 93 6.211 -16.905 -2.603 1.00 0.00 O ATOM 1390 OD2 ASP A 93 5.472 -14.966 -3.313 1.00 0.00 O ATOM 0 H ASP A 93 7.507 -13.737 -3.971 1.00 0.00 H new ATOM 0 HA ASP A 93 9.020 -16.237 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.473 -15.635 -5.540 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.073 -17.185 -4.985 1.00 0.00 H new ATOM 1395 N GLY A 94 8.848 -14.075 -6.430 1.00 0.00 N ATOM 1396 CA GLY A 94 9.316 -13.725 -7.752 1.00 0.00 C ATOM 1397 C GLY A 94 8.321 -14.134 -8.811 1.00 0.00 C ATOM 1398 O GLY A 94 8.677 -14.333 -9.973 1.00 0.00 O ATOM 0 H GLY A 94 8.419 -13.306 -5.915 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.488 -12.650 -7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.273 -14.211 -7.942 1.00 0.00 H new ATOM 1402 N ASP A 95 7.063 -14.237 -8.410 1.00 0.00 N ATOM 1403 CA ASP A 95 6.016 -14.726 -9.293 1.00 0.00 C ATOM 1404 C ASP A 95 5.130 -13.586 -9.787 1.00 0.00 C ATOM 1405 O ASP A 95 4.230 -13.796 -10.602 1.00 0.00 O ATOM 1406 CB ASP A 95 5.179 -15.800 -8.589 1.00 0.00 C ATOM 1407 CG ASP A 95 4.331 -15.264 -7.450 1.00 0.00 C ATOM 1408 OD1 ASP A 95 4.745 -14.298 -6.780 1.00 0.00 O ATOM 1409 OD2 ASP A 95 3.236 -15.817 -7.228 1.00 0.00 O ATOM 0 H ASP A 95 6.742 -13.987 -7.475 1.00 0.00 H new ATOM 0 HA ASP A 95 6.493 -15.175 -10.164 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.528 -16.278 -9.321 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.845 -16.571 -8.202 1.00 0.00 H new ATOM 1414 N GLY A 96 5.382 -12.380 -9.291 1.00 0.00 N ATOM 1415 CA GLY A 96 4.708 -11.204 -9.819 1.00 0.00 C ATOM 1416 C GLY A 96 3.305 -11.008 -9.276 1.00 0.00 C ATOM 1417 O GLY A 96 2.447 -10.445 -9.954 1.00 0.00 O ATOM 0 H GLY A 96 6.040 -12.194 -8.534 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.304 -10.321 -9.588 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.660 -11.281 -10.905 1.00 0.00 H new ATOM 1421 N LYS A 97 3.058 -11.481 -8.067 1.00 0.00 N ATOM 1422 CA LYS A 97 1.769 -11.272 -7.420 1.00 0.00 C ATOM 1423 C LYS A 97 1.976 -10.735 -6.021 1.00 0.00 C ATOM 1424 O LYS A 97 3.095 -10.707 -5.509 1.00 0.00 O ATOM 1425 CB LYS A 97 0.963 -12.575 -7.359 1.00 0.00 C ATOM 1426 CG LYS A 97 1.485 -13.592 -6.357 1.00 0.00 C ATOM 1427 CD LYS A 97 0.384 -14.551 -5.915 1.00 0.00 C ATOM 1428 CE LYS A 97 -0.202 -15.333 -7.084 1.00 0.00 C ATOM 1429 NZ LYS A 97 0.735 -16.367 -7.599 1.00 0.00 N ATOM 0 H LYS A 97 3.730 -12.012 -7.512 1.00 0.00 H new ATOM 0 HA LYS A 97 1.207 -10.548 -8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.071 -12.337 -7.110 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.956 -13.030 -8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.305 -14.156 -6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.890 -13.074 -5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.785 -15.248 -5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.409 -13.989 -5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.130 -15.811 -6.770 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.456 -14.643 -7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.817 -16.277 -8.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.671 -16.235 -7.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.373 -17.313 -7.361 1.00 0.00 H new ATOM 1443 N ILE A 98 0.893 -10.308 -5.414 1.00 0.00 N ATOM 1444 CA ILE A 98 0.932 -9.776 -4.076 1.00 0.00 C ATOM 1445 C ILE A 98 0.134 -10.649 -3.129 1.00 0.00 C ATOM 1446 O ILE A 98 -1.096 -10.661 -3.158 1.00 0.00 O ATOM 1447 CB ILE A 98 0.378 -8.335 -4.021 1.00 0.00 C ATOM 1448 CG1 ILE A 98 1.330 -7.358 -4.707 1.00 0.00 C ATOM 1449 CG2 ILE A 98 0.123 -7.901 -2.586 1.00 0.00 C ATOM 1450 CD1 ILE A 98 2.706 -7.311 -4.078 1.00 0.00 C ATOM 0 H ILE A 98 -0.036 -10.320 -5.834 1.00 0.00 H new ATOM 0 HA ILE A 98 1.978 -9.761 -3.769 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.572 -8.326 -4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.429 -7.636 -5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.893 -6.360 -4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.266 -6.883 -2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.604 -8.571 -2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.056 -7.937 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.328 -6.596 -4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.619 -7.003 -3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.163 -8.299 -4.128 1.00 0.00 H new ATOM 1462 N GLY A 99 0.832 -11.413 -2.319 1.00 0.00 N ATOM 1463 CA GLY A 99 0.198 -11.983 -1.168 1.00 0.00 C ATOM 1464 C GLY A 99 -0.129 -10.869 -0.214 1.00 0.00 C ATOM 1465 O GLY A 99 0.665 -9.949 -0.052 1.00 0.00 O ATOM 0 H GLY A 99 1.818 -11.646 -2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.709 -12.515 -1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.856 -12.710 -0.692 1.00 0.00 H new ATOM 1469 N VAL A 100 -1.292 -10.906 0.386 1.00 0.00 N ATOM 1470 CA VAL A 100 -1.714 -9.831 1.265 1.00 0.00 C ATOM 1471 C VAL A 100 -0.748 -9.672 2.434 1.00 0.00 C ATOM 1472 O VAL A 100 -0.444 -8.559 2.859 1.00 0.00 O ATOM 1473 CB VAL A 100 -3.131 -10.084 1.770 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -3.546 -9.041 2.792 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -4.087 -10.116 0.595 1.00 0.00 C ATOM 0 H VAL A 100 -1.966 -11.665 0.286 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.709 -8.902 0.695 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.160 -11.050 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.560 -9.249 3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.864 -9.073 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.512 -8.051 2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.100 -10.297 0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.053 -9.160 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.797 -10.914 -0.088 1.00 0.00 H new ATOM 1485 N ASP A 101 -0.254 -10.796 2.929 1.00 0.00 N ATOM 1486 CA ASP A 101 0.790 -10.792 3.948 1.00 0.00 C ATOM 1487 C ASP A 101 2.052 -10.116 3.408 1.00 0.00 C ATOM 1488 O ASP A 101 2.722 -9.366 4.116 1.00 0.00 O ATOM 1489 CB ASP A 101 1.101 -12.223 4.387 1.00 0.00 C ATOM 1490 CG ASP A 101 2.065 -12.282 5.558 1.00 0.00 C ATOM 1491 OD1 ASP A 101 3.293 -12.245 5.334 1.00 0.00 O ATOM 1492 OD2 ASP A 101 1.599 -12.385 6.712 1.00 0.00 O ATOM 0 H ASP A 101 -0.559 -11.726 2.642 1.00 0.00 H new ATOM 0 HA ASP A 101 0.436 -10.230 4.812 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.173 -12.724 4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.524 -12.773 3.546 1.00 0.00 H new ATOM 1497 N GLU A 102 2.351 -10.375 2.134 1.00 0.00 N ATOM 1498 CA GLU A 102 3.476 -9.735 1.453 1.00 0.00 C ATOM 1499 C GLU A 102 3.234 -8.228 1.336 1.00 0.00 C ATOM 1500 O GLU A 102 4.160 -7.425 1.451 1.00 0.00 O ATOM 1501 CB GLU A 102 3.679 -10.340 0.052 1.00 0.00 C ATOM 1502 CG GLU A 102 3.992 -11.834 0.058 1.00 0.00 C ATOM 1503 CD GLU A 102 4.204 -12.409 -1.336 1.00 0.00 C ATOM 1504 OE1 GLU A 102 3.228 -12.603 -2.075 1.00 0.00 O ATOM 1505 OE2 GLU A 102 5.344 -12.716 -1.718 1.00 0.00 O ATOM 0 H GLU A 102 1.826 -11.027 1.551 1.00 0.00 H new ATOM 0 HA GLU A 102 4.376 -9.909 2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.779 -10.171 -0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.492 -9.811 -0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.887 -12.009 0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.175 -12.368 0.544 1.00 0.00 H new ATOM 1512 N PHE A 103 1.977 -7.859 1.117 1.00 0.00 N ATOM 1513 CA PHE A 103 1.592 -6.461 0.980 1.00 0.00 C ATOM 1514 C PHE A 103 1.720 -5.740 2.316 1.00 0.00 C ATOM 1515 O PHE A 103 2.283 -4.648 2.393 1.00 0.00 O ATOM 1516 CB PHE A 103 0.155 -6.355 0.465 1.00 0.00 C ATOM 1517 CG PHE A 103 -0.204 -4.993 -0.053 1.00 0.00 C ATOM 1518 CD1 PHE A 103 0.193 -4.599 -1.320 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -0.937 -4.109 0.718 1.00 0.00 C ATOM 1520 CE1 PHE A 103 -0.135 -3.351 -1.808 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -1.267 -2.859 0.234 1.00 0.00 C ATOM 1522 CZ PHE A 103 -0.866 -2.479 -1.030 1.00 0.00 C ATOM 0 H PHE A 103 1.202 -8.516 1.030 1.00 0.00 H new ATOM 0 HA PHE A 103 2.261 -5.988 0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 103 0.009 -7.086 -0.330 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.530 -6.619 1.270 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.767 -5.277 -1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.254 -4.400 1.709 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.181 -3.058 -2.798 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.840 -2.178 0.846 1.00 0.00 H new ATOM 0 HZ PHE A 103 -1.124 -1.501 -1.409 1.00 0.00 H new ATOM 1532 N GLY A 104 1.200 -6.361 3.367 1.00 0.00 N ATOM 1533 CA GLY A 104 1.319 -5.797 4.698 1.00 0.00 C ATOM 1534 C GLY A 104 2.767 -5.598 5.097 1.00 0.00 C ATOM 1535 O GLY A 104 3.106 -4.628 5.778 1.00 0.00 O ATOM 0 H GLY A 104 0.697 -7.247 3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.797 -4.841 4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.831 -6.455 5.417 1.00 0.00 H new ATOM 1539 N ALA A 105 3.620 -6.510 4.647 1.00 0.00 N ATOM 1540 CA ALA A 105 5.048 -6.440 4.922 1.00 0.00 C ATOM 1541 C ALA A 105 5.704 -5.264 4.200 1.00 0.00 C ATOM 1542 O ALA A 105 6.599 -4.627 4.746 1.00 0.00 O ATOM 1543 CB ALA A 105 5.720 -7.743 4.524 1.00 0.00 C ATOM 0 H ALA A 105 3.343 -7.314 4.084 1.00 0.00 H new ATOM 0 HA ALA A 105 5.175 -6.282 5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.788 -7.681 4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.286 -8.565 5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.569 -7.920 3.459 1.00 0.00 H new ATOM 1549 N MET A 106 5.256 -4.966 2.980 1.00 0.00 N ATOM 1550 CA MET A 106 5.849 -3.869 2.210 1.00 0.00 C ATOM 1551 C MET A 106 5.429 -2.523 2.794 1.00 0.00 C ATOM 1552 O MET A 106 6.117 -1.518 2.629 1.00 0.00 O ATOM 1553 CB MET A 106 5.462 -3.931 0.724 1.00 0.00 C ATOM 1554 CG MET A 106 4.102 -3.324 0.405 1.00 0.00 C ATOM 1555 SD MET A 106 3.846 -3.040 -1.360 1.00 0.00 S ATOM 1556 CE MET A 106 3.671 -4.713 -1.975 1.00 0.00 C ATOM 0 H MET A 106 4.497 -5.459 2.509 1.00 0.00 H new ATOM 0 HA MET A 106 6.931 -3.977 2.278 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.224 -3.414 0.140 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.467 -4.972 0.402 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.320 -3.986 0.777 1.00 0.00 H new ATOM 0 HG3 MET A 106 4.000 -2.378 0.937 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.501 -4.944 -2.643 1.00 0.00 H new ATOM 0 HE2 MET A 106 3.674 -5.411 -1.138 1.00 0.00 H new ATOM 0 HE3 MET A 106 2.731 -4.804 -2.519 1.00 0.00 H new ATOM 1566 N ILE A 107 4.291 -2.520 3.473 1.00 0.00 N ATOM 1567 CA ILE A 107 3.782 -1.327 4.129 1.00 0.00 C ATOM 1568 C ILE A 107 4.488 -1.132 5.461 1.00 0.00 C ATOM 1569 O ILE A 107 4.745 -0.013 5.909 1.00 0.00 O ATOM 1570 CB ILE A 107 2.256 -1.445 4.356 1.00 0.00 C ATOM 1571 CG1 ILE A 107 1.519 -1.386 3.019 1.00 0.00 C ATOM 1572 CG2 ILE A 107 1.758 -0.362 5.298 1.00 0.00 C ATOM 1573 CD1 ILE A 107 0.036 -1.647 3.137 1.00 0.00 C ATOM 0 H ILE A 107 3.697 -3.342 3.584 1.00 0.00 H new ATOM 0 HA ILE A 107 3.974 -0.466 3.489 1.00 0.00 H new ATOM 0 HB ILE A 107 2.051 -2.408 4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.673 -0.404 2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.956 -2.118 2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.683 -0.469 5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.262 -0.457 6.260 1.00 0.00 H new ATOM 0 HG23 ILE A 107 1.972 0.618 4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.423 -1.589 2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.126 -2.640 3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.414 -0.900 3.791 1.00 0.00 H new ATOM 1585 N LYS A 108 4.824 -2.248 6.068 1.00 0.00 N ATOM 1586 CA LYS A 108 5.440 -2.268 7.378 1.00 0.00 C ATOM 1587 C LYS A 108 6.966 -2.360 7.247 1.00 0.00 C ATOM 1588 O LYS A 108 7.691 -2.510 8.230 1.00 0.00 O ATOM 1589 CB LYS A 108 4.831 -3.442 8.158 1.00 0.00 C ATOM 1590 CG LYS A 108 5.467 -3.740 9.502 1.00 0.00 C ATOM 1591 CD LYS A 108 6.233 -5.048 9.448 1.00 0.00 C ATOM 1592 CE LYS A 108 6.927 -5.345 10.762 1.00 0.00 C ATOM 1593 NZ LYS A 108 5.966 -5.452 11.891 1.00 0.00 N ATOM 0 H LYS A 108 4.677 -3.174 5.665 1.00 0.00 H new ATOM 0 HA LYS A 108 5.244 -1.346 7.926 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.772 -3.239 8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.896 -4.337 7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 108 6.140 -2.929 9.781 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.697 -3.794 10.272 1.00 0.00 H new ATOM 0 HD2 LYS A 108 5.548 -5.861 9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 108 6.972 -5.004 8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 108 7.486 -6.276 10.673 1.00 0.00 H new ATOM 0 HE3 LYS A 108 7.650 -4.558 10.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.453 -5.836 12.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 5.586 -4.510 12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 5.186 -6.085 11.624 1.00 0.00 H new ATOM 1607 N ALA A 109 7.441 -2.241 6.012 1.00 0.00 N ATOM 1608 CA ALA A 109 8.868 -2.252 5.720 1.00 0.00 C ATOM 1609 C ALA A 109 9.598 -1.154 6.488 1.00 0.00 C ATOM 1610 O ALA A 109 10.371 -1.485 7.411 1.00 0.00 O ATOM 1611 CB ALA A 109 9.098 -2.093 4.227 1.00 0.00 C ATOM 1612 OXT ALA A 109 9.384 0.038 6.176 1.00 0.00 O ATOM 0 H ALA A 109 6.849 -2.135 5.188 1.00 0.00 H new ATOM 0 HA ALA A 109 9.272 -3.212 6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.168 -2.103 4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.619 -2.915 3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.672 -1.147 3.892 1.00 0.00 H new