USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 555 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 62 GLN : amide:sc= -1.48! C(o=-4.3!,f=-8.5!) USER MOD Set 1.2: A 65 SER OG : rot 178:sc= -2.84! USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.643 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.468 X(o=-3.1,f=-3.1) USER MOD Set 2.3: A 29 LYS NZ :NH3+ -156:sc= -2.04! (180deg=-2.47!) USER MOD Single : A 2 GLN : amide:sc= -0.0501 K(o=-0.05,f=-2.2!) USER MOD Single : A 6 LYS NZ :NH3+ 153:sc= 0.703 (180deg=-0.542) USER MOD Single : A 7 THR OG1 : rot -79:sc= 1.21 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 64:sc= 0.0463 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= -10.8! (180deg=-11.1!) USER MOD Single : A 31 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= -0.515 (180deg=-1.02!) USER MOD Single : A 40 GLN : amide:sc= -0.376 K(o=-0.38,f=-1.9!) USER MOD Single : A 41 GLN :FLIP amide:sc= -2.44 F(o=-3.4!,f=-2.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 154:sc= 0.023 USER MOD Single : A 60 ASN : amide:sc= 0.45 X(o=0.45,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 42:sc= 0.0684 USER MOD Single : A 68 HIS : no HD1:sc= -0.0471 X(o=-0.047,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 51.095 -5.680 4.369 1.00 0.00 N ATOM 21 CA GLN A 2 52.355 -6.213 3.859 1.00 0.00 C ATOM 22 C GLN A 2 52.836 -5.384 2.678 1.00 0.00 C ATOM 23 O GLN A 2 52.058 -4.640 2.082 1.00 0.00 O ATOM 24 CB GLN A 2 52.160 -7.668 3.425 1.00 0.00 C ATOM 25 CG GLN A 2 52.182 -8.579 4.655 1.00 0.00 C ATOM 26 CD GLN A 2 51.556 -9.929 4.321 1.00 0.00 C ATOM 27 OE1 GLN A 2 51.024 -10.114 3.225 1.00 0.00 O ATOM 28 NE2 GLN A 2 51.585 -10.888 5.204 1.00 0.00 N ATOM 0 HA GLN A 2 53.104 -6.168 4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 2 51.213 -7.776 2.897 1.00 0.00 H new ATOM 0 HB3 GLN A 2 52.948 -7.959 2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 2 53.208 -8.720 4.994 1.00 0.00 H new ATOM 0 HG3 GLN A 2 51.637 -8.110 5.474 1.00 0.00 H new ATOM 0 HE21 GLN A 2 52.026 -10.733 6.111 1.00 0.00 H new ATOM 0 HE22 GLN A 2 51.167 -11.793 4.988 1.00 0.00 H new ATOM 37 N ILE A 3 54.111 -5.534 2.330 1.00 0.00 N ATOM 38 CA ILE A 3 54.672 -4.810 1.196 1.00 0.00 C ATOM 39 C ILE A 3 55.198 -5.802 0.179 1.00 0.00 C ATOM 40 O ILE A 3 55.493 -6.951 0.507 1.00 0.00 O ATOM 41 CB ILE A 3 55.776 -3.837 1.640 1.00 0.00 C ATOM 42 CG1 ILE A 3 55.110 -2.527 2.114 1.00 0.00 C ATOM 43 CG2 ILE A 3 56.729 -3.555 0.461 1.00 0.00 C ATOM 44 CD1 ILE A 3 55.983 -1.320 1.773 1.00 0.00 C ATOM 0 H ILE A 3 54.770 -6.145 2.813 1.00 0.00 H new ATOM 0 HA ILE A 3 53.885 -4.210 0.739 1.00 0.00 H new ATOM 0 HB ILE A 3 56.356 -4.271 2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 3 54.133 -2.419 1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 3 54.942 -2.568 3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 3 57.510 -2.865 0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 3 57.184 -4.488 0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 3 56.168 -3.112 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 3 55.494 -0.408 2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 3 56.950 -1.420 2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 3 56.128 -1.269 0.694 1.00 0.00 H new ATOM 56 N PHE A 4 55.267 -5.357 -1.068 1.00 0.00 N ATOM 57 CA PHE A 4 55.705 -6.219 -2.155 1.00 0.00 C ATOM 58 C PHE A 4 56.658 -5.475 -3.089 1.00 0.00 C ATOM 59 O PHE A 4 56.399 -4.340 -3.486 1.00 0.00 O ATOM 60 CB PHE A 4 54.449 -6.674 -2.893 1.00 0.00 C ATOM 61 CG PHE A 4 54.770 -7.408 -4.170 1.00 0.00 C ATOM 62 CD1 PHE A 4 55.976 -8.102 -4.322 1.00 0.00 C ATOM 63 CD2 PHE A 4 53.829 -7.404 -5.206 1.00 0.00 C ATOM 64 CE1 PHE A 4 56.242 -8.785 -5.514 1.00 0.00 C ATOM 65 CE2 PHE A 4 54.095 -8.091 -6.396 1.00 0.00 C ATOM 66 CZ PHE A 4 55.302 -8.780 -6.550 1.00 0.00 C ATOM 0 H PHE A 4 55.026 -4.407 -1.351 1.00 0.00 H new ATOM 0 HA PHE A 4 56.255 -7.079 -1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 4 53.862 -7.322 -2.242 1.00 0.00 H new ATOM 0 HB3 PHE A 4 53.830 -5.806 -3.121 1.00 0.00 H new ATOM 0 HD1 PHE A 4 56.700 -8.110 -3.521 1.00 0.00 H new ATOM 0 HD2 PHE A 4 52.897 -6.871 -5.087 1.00 0.00 H new ATOM 0 HE1 PHE A 4 57.174 -9.317 -5.634 1.00 0.00 H new ATOM 0 HE2 PHE A 4 53.368 -8.089 -7.195 1.00 0.00 H new ATOM 0 HZ PHE A 4 55.509 -9.308 -7.469 1.00 0.00 H new ATOM 76 N VAL A 5 57.773 -6.125 -3.418 1.00 0.00 N ATOM 77 CA VAL A 5 58.791 -5.537 -4.286 1.00 0.00 C ATOM 78 C VAL A 5 59.148 -6.492 -5.425 1.00 0.00 C ATOM 79 O VAL A 5 59.129 -7.709 -5.253 1.00 0.00 O ATOM 80 CB VAL A 5 60.050 -5.224 -3.471 1.00 0.00 C ATOM 81 CG1 VAL A 5 60.903 -4.192 -4.215 1.00 0.00 C ATOM 82 CG2 VAL A 5 59.644 -4.661 -2.108 1.00 0.00 C ATOM 0 H VAL A 5 57.995 -7.066 -3.093 1.00 0.00 H new ATOM 0 HA VAL A 5 58.390 -4.617 -4.712 1.00 0.00 H new ATOM 0 HB VAL A 5 60.628 -6.138 -3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 5 61.798 -3.972 -3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 5 61.192 -4.592 -5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 5 60.327 -3.277 -4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 5 60.538 -4.437 -1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 5 59.065 -3.748 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 5 59.039 -5.396 -1.576 1.00 0.00 H new ATOM 92 N LYS A 6 59.472 -5.937 -6.589 1.00 0.00 N ATOM 93 CA LYS A 6 59.835 -6.765 -7.739 1.00 0.00 C ATOM 94 C LYS A 6 61.357 -6.833 -7.846 1.00 0.00 C ATOM 95 O LYS A 6 62.026 -5.810 -7.971 1.00 0.00 O ATOM 96 CB LYS A 6 59.244 -6.156 -9.019 1.00 0.00 C ATOM 97 CG LYS A 6 59.778 -6.879 -10.264 1.00 0.00 C ATOM 98 CD LYS A 6 59.172 -8.281 -10.357 1.00 0.00 C ATOM 99 CE LYS A 6 59.436 -8.853 -11.751 1.00 0.00 C ATOM 100 NZ LYS A 6 60.879 -8.687 -12.089 1.00 0.00 N ATOM 0 H LYS A 6 59.491 -4.932 -6.762 1.00 0.00 H new ATOM 0 HA LYS A 6 59.436 -7.771 -7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 6 58.157 -6.225 -8.991 1.00 0.00 H new ATOM 0 HB3 LYS A 6 59.495 -5.097 -9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 6 59.532 -6.308 -11.159 1.00 0.00 H new ATOM 0 HG3 LYS A 6 60.865 -6.946 -10.217 1.00 0.00 H new ATOM 0 HD2 LYS A 6 59.607 -8.929 -9.597 1.00 0.00 H new ATOM 0 HD3 LYS A 6 58.100 -8.240 -10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 6 59.163 -9.908 -11.781 1.00 0.00 H new ATOM 0 HE3 LYS A 6 58.817 -8.342 -12.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 61.165 -9.426 -12.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 61.030 -7.751 -12.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 61.450 -8.767 -11.223 1.00 0.00 H new ATOM 114 N THR A 7 61.895 -8.048 -7.777 1.00 0.00 N ATOM 115 CA THR A 7 63.341 -8.240 -7.844 1.00 0.00 C ATOM 116 C THR A 7 63.819 -8.360 -9.285 1.00 0.00 C ATOM 117 O THR A 7 63.036 -8.628 -10.196 1.00 0.00 O ATOM 118 CB THR A 7 63.736 -9.499 -7.071 1.00 0.00 C ATOM 119 OG1 THR A 7 63.075 -10.625 -7.632 1.00 0.00 O ATOM 120 CG2 THR A 7 63.336 -9.348 -5.603 1.00 0.00 C ATOM 0 H THR A 7 61.356 -8.908 -7.676 1.00 0.00 H new ATOM 0 HA THR A 7 63.815 -7.366 -7.396 1.00 0.00 H new ATOM 0 HB THR A 7 64.815 -9.641 -7.137 1.00 0.00 H new ATOM 0 HG1 THR A 7 62.147 -10.650 -7.317 1.00 0.00 H new ATOM 0 HG21 THR A 7 63.619 -10.247 -5.055 1.00 0.00 H new ATOM 0 HG22 THR A 7 63.846 -8.486 -5.174 1.00 0.00 H new ATOM 0 HG23 THR A 7 62.258 -9.204 -5.533 1.00 0.00 H new ATOM 128 N LEU A 8 65.118 -8.159 -9.474 1.00 0.00 N ATOM 129 CA LEU A 8 65.718 -8.242 -10.799 1.00 0.00 C ATOM 130 C LEU A 8 65.772 -9.691 -11.276 1.00 0.00 C ATOM 131 O LEU A 8 66.045 -9.958 -12.446 1.00 0.00 O ATOM 132 CB LEU A 8 67.136 -7.662 -10.765 1.00 0.00 C ATOM 133 CG LEU A 8 67.088 -6.193 -10.313 1.00 0.00 C ATOM 134 CD1 LEU A 8 67.335 -6.099 -8.801 1.00 0.00 C ATOM 135 CD2 LEU A 8 68.170 -5.395 -11.050 1.00 0.00 C ATOM 0 H LEU A 8 65.775 -7.937 -8.726 1.00 0.00 H new ATOM 0 HA LEU A 8 65.104 -7.667 -11.492 1.00 0.00 H new ATOM 0 HB2 LEU A 8 67.759 -8.241 -10.084 1.00 0.00 H new ATOM 0 HB3 LEU A 8 67.592 -7.733 -11.753 1.00 0.00 H new ATOM 0 HG LEU A 8 66.104 -5.784 -10.544 1.00 0.00 H new ATOM 0 HD11 LEU A 8 67.299 -5.055 -8.491 1.00 0.00 H new ATOM 0 HD12 LEU A 8 66.566 -6.662 -8.271 1.00 0.00 H new ATOM 0 HD13 LEU A 8 68.315 -6.514 -8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 8 68.136 -4.354 -10.730 1.00 0.00 H new ATOM 0 HD22 LEU A 8 69.150 -5.813 -10.821 1.00 0.00 H new ATOM 0 HD23 LEU A 8 67.994 -5.450 -12.124 1.00 0.00 H new ATOM 147 N THR A 9 65.515 -10.623 -10.362 1.00 0.00 N ATOM 148 CA THR A 9 65.541 -12.044 -10.701 1.00 0.00 C ATOM 149 C THR A 9 64.143 -12.535 -11.065 1.00 0.00 C ATOM 150 O THR A 9 63.975 -13.645 -11.571 1.00 0.00 O ATOM 151 CB THR A 9 66.076 -12.852 -9.514 1.00 0.00 C ATOM 152 OG1 THR A 9 67.175 -12.163 -8.935 1.00 0.00 O ATOM 153 CG2 THR A 9 66.531 -14.233 -9.993 1.00 0.00 C ATOM 0 H THR A 9 65.288 -10.423 -9.388 1.00 0.00 H new ATOM 0 HA THR A 9 66.196 -12.182 -11.561 1.00 0.00 H new ATOM 0 HB THR A 9 65.287 -12.972 -8.771 1.00 0.00 H new ATOM 0 HG1 THR A 9 67.519 -12.676 -8.174 1.00 0.00 H new ATOM 0 HG21 THR A 9 66.911 -14.805 -9.146 1.00 0.00 H new ATOM 0 HG22 THR A 9 65.687 -14.760 -10.438 1.00 0.00 H new ATOM 0 HG23 THR A 9 67.320 -14.119 -10.737 1.00 0.00 H new ATOM 161 N GLY A 10 63.141 -11.701 -10.804 1.00 0.00 N ATOM 162 CA GLY A 10 61.759 -12.059 -11.108 1.00 0.00 C ATOM 163 C GLY A 10 61.110 -12.778 -9.931 1.00 0.00 C ATOM 164 O GLY A 10 59.954 -13.197 -10.006 1.00 0.00 O ATOM 0 H GLY A 10 63.258 -10.778 -10.385 1.00 0.00 H new ATOM 0 HA2 GLY A 10 61.191 -11.160 -11.348 1.00 0.00 H new ATOM 0 HA3 GLY A 10 61.731 -12.699 -11.990 1.00 0.00 H new ATOM 168 N LYS A 11 61.860 -12.918 -8.843 1.00 0.00 N ATOM 169 CA LYS A 11 61.348 -13.588 -7.653 1.00 0.00 C ATOM 170 C LYS A 11 60.488 -12.635 -6.830 1.00 0.00 C ATOM 171 O LYS A 11 60.894 -11.509 -6.545 1.00 0.00 O ATOM 172 CB LYS A 11 62.512 -14.082 -6.790 1.00 0.00 C ATOM 173 CG LYS A 11 63.267 -15.195 -7.521 1.00 0.00 C ATOM 174 CD LYS A 11 64.225 -15.891 -6.549 1.00 0.00 C ATOM 175 CE LYS A 11 65.094 -14.846 -5.845 1.00 0.00 C ATOM 176 NZ LYS A 11 66.321 -15.499 -5.307 1.00 0.00 N ATOM 0 H LYS A 11 62.818 -12.579 -8.760 1.00 0.00 H new ATOM 0 HA LYS A 11 60.740 -14.434 -7.972 1.00 0.00 H new ATOM 0 HB2 LYS A 11 63.188 -13.256 -6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 11 62.137 -14.451 -5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 11 62.562 -15.917 -7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 11 63.824 -14.780 -8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 11 63.660 -16.463 -5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 11 64.855 -16.599 -7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 11 65.367 -14.055 -6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 11 64.534 -14.378 -5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 66.911 -14.789 -4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 66.051 -16.239 -4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 66.858 -15.926 -6.089 1.00 0.00 H new ATOM 190 N THR A 12 59.304 -13.096 -6.439 1.00 0.00 N ATOM 191 CA THR A 12 58.411 -12.269 -5.637 1.00 0.00 C ATOM 192 C THR A 12 58.897 -12.237 -4.191 1.00 0.00 C ATOM 193 O THR A 12 59.041 -13.279 -3.551 1.00 0.00 O ATOM 194 CB THR A 12 56.981 -12.819 -5.697 1.00 0.00 C ATOM 195 OG1 THR A 12 56.224 -12.276 -4.623 1.00 0.00 O ATOM 196 CG2 THR A 12 57.006 -14.346 -5.588 1.00 0.00 C ATOM 0 H THR A 12 58.945 -14.025 -6.661 1.00 0.00 H new ATOM 0 HA THR A 12 58.413 -11.256 -6.038 1.00 0.00 H new ATOM 0 HB THR A 12 56.524 -12.538 -6.646 1.00 0.00 H new ATOM 0 HG1 THR A 12 56.146 -11.306 -4.735 1.00 0.00 H new ATOM 0 HG21 THR A 12 55.987 -14.731 -5.631 1.00 0.00 H new ATOM 0 HG22 THR A 12 57.586 -14.760 -6.413 1.00 0.00 H new ATOM 0 HG23 THR A 12 57.463 -14.636 -4.642 1.00 0.00 H new ATOM 204 N ILE A 13 59.169 -11.037 -3.689 1.00 0.00 N ATOM 205 CA ILE A 13 59.662 -10.876 -2.322 1.00 0.00 C ATOM 206 C ILE A 13 58.655 -10.122 -1.460 1.00 0.00 C ATOM 207 O ILE A 13 58.288 -8.988 -1.766 1.00 0.00 O ATOM 208 CB ILE A 13 60.984 -10.106 -2.343 1.00 0.00 C ATOM 209 CG1 ILE A 13 61.606 -10.124 -0.944 1.00 0.00 C ATOM 210 CG2 ILE A 13 60.725 -8.657 -2.771 1.00 0.00 C ATOM 211 CD1 ILE A 13 62.928 -9.354 -0.958 1.00 0.00 C ATOM 0 H ILE A 13 59.058 -10.164 -4.204 1.00 0.00 H new ATOM 0 HA ILE A 13 59.811 -11.867 -1.894 1.00 0.00 H new ATOM 0 HB ILE A 13 61.668 -10.575 -3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 13 60.920 -9.676 -0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 13 61.776 -11.152 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 13 61.667 -8.108 -2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 13 60.282 -8.645 -3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 13 60.042 -8.186 -2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 13 63.368 -9.369 0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 13 63.614 -9.822 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 13 62.745 -8.322 -1.259 1.00 0.00 H new ATOM 223 N THR A 14 58.227 -10.755 -0.374 1.00 0.00 N ATOM 224 CA THR A 14 57.273 -10.134 0.540 1.00 0.00 C ATOM 225 C THR A 14 57.943 -9.849 1.882 1.00 0.00 C ATOM 226 O THR A 14 58.697 -10.674 2.398 1.00 0.00 O ATOM 227 CB THR A 14 56.070 -11.057 0.749 1.00 0.00 C ATOM 228 OG1 THR A 14 55.638 -11.555 -0.510 1.00 0.00 O ATOM 229 CG2 THR A 14 54.932 -10.277 1.411 1.00 0.00 C ATOM 0 H THR A 14 58.523 -11.693 -0.105 1.00 0.00 H new ATOM 0 HA THR A 14 56.931 -9.195 0.105 1.00 0.00 H new ATOM 0 HB THR A 14 56.356 -11.889 1.393 1.00 0.00 H new ATOM 0 HG1 THR A 14 54.869 -12.148 -0.381 1.00 0.00 H new ATOM 0 HG21 THR A 14 54.077 -10.936 1.559 1.00 0.00 H new ATOM 0 HG22 THR A 14 55.266 -9.894 2.375 1.00 0.00 H new ATOM 0 HG23 THR A 14 54.642 -9.444 0.771 1.00 0.00 H new ATOM 237 N LEU A 15 57.666 -8.673 2.439 1.00 0.00 N ATOM 238 CA LEU A 15 58.247 -8.275 3.722 1.00 0.00 C ATOM 239 C LEU A 15 57.160 -8.144 4.768 1.00 0.00 C ATOM 240 O LEU A 15 56.037 -7.750 4.455 1.00 0.00 O ATOM 241 CB LEU A 15 58.989 -6.928 3.600 1.00 0.00 C ATOM 242 CG LEU A 15 59.084 -6.492 2.135 1.00 0.00 C ATOM 243 CD1 LEU A 15 59.516 -5.025 2.074 1.00 0.00 C ATOM 244 CD2 LEU A 15 60.117 -7.359 1.407 1.00 0.00 C ATOM 0 H LEU A 15 57.044 -7.979 2.024 1.00 0.00 H new ATOM 0 HA LEU A 15 58.958 -9.046 4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 15 58.466 -6.166 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 15 59.989 -7.019 4.023 1.00 0.00 H new ATOM 0 HG LEU A 15 58.112 -6.609 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 15 59.585 -4.709 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 15 58.782 -4.408 2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 15 60.489 -4.912 2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 15 60.184 -7.048 0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 15 61.090 -7.242 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 15 59.813 -8.405 1.455 1.00 0.00 H new ATOM 256 N GLU A 16 57.496 -8.441 6.017 1.00 0.00 N ATOM 257 CA GLU A 16 56.515 -8.301 7.071 1.00 0.00 C ATOM 258 C GLU A 16 56.724 -6.939 7.693 1.00 0.00 C ATOM 259 O GLU A 16 57.738 -6.679 8.338 1.00 0.00 O ATOM 260 CB GLU A 16 56.698 -9.398 8.126 1.00 0.00 C ATOM 261 CG GLU A 16 55.877 -9.054 9.371 1.00 0.00 C ATOM 262 CD GLU A 16 55.704 -10.291 10.247 1.00 0.00 C ATOM 263 OE1 GLU A 16 56.481 -11.218 10.090 1.00 0.00 O ATOM 264 OE2 GLU A 16 54.797 -10.291 11.064 1.00 0.00 O ATOM 0 H GLU A 16 58.414 -8.771 6.314 1.00 0.00 H new ATOM 0 HA GLU A 16 55.506 -8.396 6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 16 56.381 -10.360 7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 16 57.752 -9.493 8.388 1.00 0.00 H new ATOM 0 HG2 GLU A 16 56.374 -8.266 9.937 1.00 0.00 H new ATOM 0 HG3 GLU A 16 54.901 -8.669 9.077 1.00 0.00 H new ATOM 271 N VAL A 17 55.769 -6.059 7.444 1.00 0.00 N ATOM 272 CA VAL A 17 55.861 -4.699 7.929 1.00 0.00 C ATOM 273 C VAL A 17 54.493 -4.107 8.181 1.00 0.00 C ATOM 274 O VAL A 17 53.470 -4.677 7.808 1.00 0.00 O ATOM 275 CB VAL A 17 56.556 -3.853 6.864 1.00 0.00 C ATOM 276 CG1 VAL A 17 55.713 -3.862 5.588 1.00 0.00 C ATOM 277 CG2 VAL A 17 56.705 -2.411 7.357 1.00 0.00 C ATOM 0 H VAL A 17 54.925 -6.264 6.910 1.00 0.00 H new ATOM 0 HA VAL A 17 56.417 -4.705 8.867 1.00 0.00 H new ATOM 0 HB VAL A 17 57.544 -4.268 6.663 1.00 0.00 H new ATOM 0 HG11 VAL A 17 56.204 -3.260 4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 17 55.606 -4.886 5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 17 54.728 -3.447 5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 17 57.202 -1.814 6.592 1.00 0.00 H new ATOM 0 HG22 VAL A 17 55.719 -1.992 7.561 1.00 0.00 H new ATOM 0 HG23 VAL A 17 57.300 -2.398 8.270 1.00 0.00 H new ATOM 287 N GLU A 18 54.495 -2.911 8.752 1.00 0.00 N ATOM 288 CA GLU A 18 53.270 -2.174 8.976 1.00 0.00 C ATOM 289 C GLU A 18 53.169 -1.160 7.844 1.00 0.00 C ATOM 290 O GLU A 18 54.080 -1.057 7.030 1.00 0.00 O ATOM 291 CB GLU A 18 53.302 -1.456 10.334 1.00 0.00 C ATOM 292 CG GLU A 18 54.060 -2.306 11.364 1.00 0.00 C ATOM 293 CD GLU A 18 55.501 -1.824 11.494 1.00 0.00 C ATOM 294 OE1 GLU A 18 56.205 -1.846 10.499 1.00 0.00 O ATOM 295 OE2 GLU A 18 55.879 -1.439 12.588 1.00 0.00 O ATOM 0 H GLU A 18 55.338 -2.432 9.068 1.00 0.00 H new ATOM 0 HA GLU A 18 52.410 -2.844 8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 18 53.784 -0.484 10.229 1.00 0.00 H new ATOM 0 HB3 GLU A 18 52.285 -1.272 10.681 1.00 0.00 H new ATOM 0 HG2 GLU A 18 53.561 -2.247 12.331 1.00 0.00 H new ATOM 0 HG3 GLU A 18 54.046 -3.353 11.062 1.00 0.00 H new ATOM 302 N PRO A 19 52.124 -0.413 7.750 1.00 0.00 N ATOM 303 CA PRO A 19 51.990 0.571 6.679 1.00 0.00 C ATOM 304 C PRO A 19 52.890 1.757 6.917 1.00 0.00 C ATOM 305 O PRO A 19 53.015 2.610 6.041 1.00 0.00 O ATOM 306 CB PRO A 19 50.516 0.962 6.670 1.00 0.00 C ATOM 307 CG PRO A 19 49.866 0.153 7.743 1.00 0.00 C ATOM 308 CD PRO A 19 50.971 -0.388 8.625 1.00 0.00 C ATOM 0 HA PRO A 19 52.293 0.168 5.713 1.00 0.00 H new ATOM 0 HB2 PRO A 19 50.395 2.029 6.859 1.00 0.00 H new ATOM 0 HB3 PRO A 19 50.064 0.757 5.699 1.00 0.00 H new ATOM 0 HG2 PRO A 19 49.176 0.766 8.323 1.00 0.00 H new ATOM 0 HG3 PRO A 19 49.284 -0.661 7.312 1.00 0.00 H new ATOM 0 HD2 PRO A 19 51.140 0.250 9.493 1.00 0.00 H new ATOM 0 HD3 PRO A 19 50.732 -1.382 9.002 1.00 0.00 H new ATOM 316 N SER A 20 53.542 1.839 8.088 1.00 0.00 N ATOM 317 CA SER A 20 54.398 2.985 8.270 1.00 0.00 C ATOM 318 C SER A 20 55.664 2.709 7.503 1.00 0.00 C ATOM 319 O SER A 20 56.224 3.612 6.893 1.00 0.00 O ATOM 320 CB SER A 20 54.720 3.187 9.754 1.00 0.00 C ATOM 321 OG SER A 20 56.123 3.077 9.957 1.00 0.00 O ATOM 0 H SER A 20 53.493 1.174 8.860 1.00 0.00 H new ATOM 0 HA SER A 20 53.908 3.891 7.913 1.00 0.00 H new ATOM 0 HB2 SER A 20 54.371 4.166 10.082 1.00 0.00 H new ATOM 0 HB3 SER A 20 54.196 2.444 10.355 1.00 0.00 H new ATOM 0 HG SER A 20 56.327 3.208 10.906 1.00 0.00 H new ATOM 327 N ASP A 21 56.003 1.429 7.358 1.00 0.00 N ATOM 328 CA ASP A 21 57.064 1.078 6.443 1.00 0.00 C ATOM 329 C ASP A 21 58.127 2.145 6.375 1.00 0.00 C ATOM 330 O ASP A 21 58.206 2.816 5.345 1.00 0.00 O ATOM 331 CB ASP A 21 56.530 0.767 5.060 1.00 0.00 C ATOM 332 CG ASP A 21 56.379 -0.736 4.869 1.00 0.00 C ATOM 333 OD1 ASP A 21 57.378 -1.386 4.609 1.00 0.00 O ATOM 334 OD2 ASP A 21 55.264 -1.214 4.981 1.00 0.00 O ATOM 0 H ASP A 21 55.569 0.647 7.849 1.00 0.00 H new ATOM 0 HA ASP A 21 57.528 0.174 6.837 1.00 0.00 H new ATOM 0 HB2 ASP A 21 55.566 1.256 4.918 1.00 0.00 H new ATOM 0 HB3 ASP A 21 57.205 1.169 4.305 1.00 0.00 H new ATOM 339 N THR A 22 58.907 2.418 7.392 1.00 0.00 N ATOM 340 CA THR A 22 59.802 3.528 7.182 1.00 0.00 C ATOM 341 C THR A 22 60.958 2.979 6.387 1.00 0.00 C ATOM 342 O THR A 22 61.441 1.877 6.610 1.00 0.00 O ATOM 343 CB THR A 22 60.287 4.084 8.534 1.00 0.00 C ATOM 344 OG1 THR A 22 59.842 3.229 9.579 1.00 0.00 O ATOM 345 CG2 THR A 22 59.729 5.490 8.767 1.00 0.00 C ATOM 0 H THR A 22 58.946 1.940 8.292 1.00 0.00 H new ATOM 0 HA THR A 22 59.313 4.348 6.656 1.00 0.00 H new ATOM 0 HB THR A 22 61.376 4.132 8.524 1.00 0.00 H new ATOM 0 HG1 THR A 22 60.150 3.578 10.441 1.00 0.00 H new ATOM 0 HG21 THR A 22 60.082 5.867 9.727 1.00 0.00 H new ATOM 0 HG22 THR A 22 60.067 6.152 7.970 1.00 0.00 H new ATOM 0 HG23 THR A 22 58.640 5.453 8.770 1.00 0.00 H new ATOM 353 N ILE A 23 61.291 3.746 5.361 1.00 0.00 N ATOM 354 CA ILE A 23 62.281 3.348 4.381 1.00 0.00 C ATOM 355 C ILE A 23 63.589 2.998 5.045 1.00 0.00 C ATOM 356 O ILE A 23 64.164 1.955 4.749 1.00 0.00 O ATOM 357 CB ILE A 23 62.397 4.456 3.323 1.00 0.00 C ATOM 358 CG1 ILE A 23 61.022 5.172 3.270 1.00 0.00 C ATOM 359 CG2 ILE A 23 62.750 3.849 1.953 1.00 0.00 C ATOM 360 CD1 ILE A 23 60.960 6.189 2.127 1.00 0.00 C ATOM 0 H ILE A 23 60.880 4.663 5.187 1.00 0.00 H new ATOM 0 HA ILE A 23 61.971 2.436 3.870 1.00 0.00 H new ATOM 0 HB ILE A 23 63.188 5.162 3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 23 60.231 4.433 3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 23 60.837 5.677 4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 23 62.829 4.645 1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 23 63.702 3.322 2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 23 61.969 3.150 1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 23 59.982 6.671 2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 23 61.735 6.943 2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 23 61.119 5.679 1.177 1.00 0.00 H new ATOM 372 N GLU A 24 64.028 3.790 6.002 1.00 0.00 N ATOM 373 CA GLU A 24 65.223 3.403 6.712 1.00 0.00 C ATOM 374 C GLU A 24 64.909 2.051 7.346 1.00 0.00 C ATOM 375 O GLU A 24 65.785 1.206 7.533 1.00 0.00 O ATOM 376 CB GLU A 24 65.603 4.437 7.784 1.00 0.00 C ATOM 377 CG GLU A 24 64.395 4.741 8.684 1.00 0.00 C ATOM 378 CD GLU A 24 64.422 3.858 9.931 1.00 0.00 C ATOM 379 OE1 GLU A 24 64.359 2.649 9.782 1.00 0.00 O ATOM 380 OE2 GLU A 24 64.501 4.406 11.018 1.00 0.00 O ATOM 0 H GLU A 24 63.597 4.667 6.295 1.00 0.00 H new ATOM 0 HA GLU A 24 66.077 3.343 6.038 1.00 0.00 H new ATOM 0 HB2 GLU A 24 66.428 4.059 8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.950 5.354 7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 24 64.406 5.791 8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 24 63.471 4.572 8.132 1.00 0.00 H new ATOM 387 N ASN A 25 63.614 1.868 7.653 1.00 0.00 N ATOM 388 CA ASN A 25 63.114 0.628 8.251 1.00 0.00 C ATOM 389 C ASN A 25 62.974 -0.487 7.214 1.00 0.00 C ATOM 390 O ASN A 25 63.347 -1.632 7.470 1.00 0.00 O ATOM 391 CB ASN A 25 61.757 0.882 8.925 1.00 0.00 C ATOM 392 CG ASN A 25 61.674 0.113 10.242 1.00 0.00 C ATOM 393 OD1 ASN A 25 60.998 0.548 11.175 1.00 0.00 O ATOM 394 ND2 ASN A 25 62.323 -1.013 10.374 1.00 0.00 N ATOM 0 H ASN A 25 62.893 2.572 7.494 1.00 0.00 H new ATOM 0 HA ASN A 25 63.841 0.303 8.995 1.00 0.00 H new ATOM 0 HB2 ASN A 25 61.627 1.949 9.109 1.00 0.00 H new ATOM 0 HB3 ASN A 25 60.949 0.572 8.262 1.00 0.00 H new ATOM 0 HD21 ASN A 25 62.270 -1.532 11.250 1.00 0.00 H new ATOM 0 HD22 ASN A 25 62.883 -1.373 9.601 1.00 0.00 H new ATOM 401 N VAL A 26 62.414 -0.155 6.054 1.00 0.00 N ATOM 402 CA VAL A 26 62.212 -1.149 5.008 1.00 0.00 C ATOM 403 C VAL A 26 63.530 -1.544 4.357 1.00 0.00 C ATOM 404 O VAL A 26 63.744 -2.715 4.048 1.00 0.00 O ATOM 405 CB VAL A 26 61.262 -0.612 3.934 1.00 0.00 C ATOM 406 CG1 VAL A 26 60.826 -1.763 3.024 1.00 0.00 C ATOM 407 CG2 VAL A 26 60.026 0.007 4.598 1.00 0.00 C ATOM 0 H VAL A 26 62.096 0.785 5.817 1.00 0.00 H new ATOM 0 HA VAL A 26 61.774 -2.030 5.477 1.00 0.00 H new ATOM 0 HB VAL A 26 61.774 0.149 3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 26 60.149 -1.385 2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 26 61.703 -2.203 2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 26 60.315 -2.522 3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 26 59.353 0.388 3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 26 59.512 -0.752 5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 26 60.334 0.825 5.249 1.00 0.00 H new ATOM 417 N LYS A 27 64.405 -0.566 4.143 1.00 0.00 N ATOM 418 CA LYS A 27 65.689 -0.839 3.506 1.00 0.00 C ATOM 419 C LYS A 27 66.434 -1.935 4.252 1.00 0.00 C ATOM 420 O LYS A 27 67.006 -2.833 3.635 1.00 0.00 O ATOM 421 CB LYS A 27 66.539 0.444 3.447 1.00 0.00 C ATOM 422 CG LYS A 27 67.051 0.676 2.012 1.00 0.00 C ATOM 423 CD LYS A 27 66.177 1.707 1.292 1.00 0.00 C ATOM 424 CE LYS A 27 64.695 1.352 1.414 1.00 0.00 C ATOM 425 NZ LYS A 27 63.932 2.021 0.322 1.00 0.00 N ATOM 0 H LYS A 27 64.252 0.410 4.397 1.00 0.00 H new ATOM 0 HA LYS A 27 65.504 -1.182 2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 27 65.945 1.298 3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 27 67.382 0.363 4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.084 1.022 2.040 1.00 0.00 H new ATOM 0 HG3 LYS A 27 67.044 -0.264 1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.353 2.696 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.457 1.755 0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 27 64.563 0.272 1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 27 64.313 1.668 2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 62.914 1.864 0.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 64.130 3.042 0.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 64.220 1.625 -0.596 1.00 0.00 H new ATOM 439 N ALA A 28 66.404 -1.880 5.573 1.00 0.00 N ATOM 440 CA ALA A 28 67.063 -2.907 6.359 1.00 0.00 C ATOM 441 C ALA A 28 66.323 -4.224 6.156 1.00 0.00 C ATOM 442 O ALA A 28 66.931 -5.294 6.114 1.00 0.00 O ATOM 443 CB ALA A 28 67.079 -2.511 7.839 1.00 0.00 C ATOM 0 H ALA A 28 65.940 -1.150 6.114 1.00 0.00 H new ATOM 0 HA ALA A 28 68.097 -3.021 6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 28 67.576 -3.289 8.418 1.00 0.00 H new ATOM 0 HB2 ALA A 28 67.617 -1.570 7.958 1.00 0.00 H new ATOM 0 HB3 ALA A 28 66.056 -2.391 8.195 1.00 0.00 H new ATOM 449 N LYS A 29 65.003 -4.127 6.001 1.00 0.00 N ATOM 450 CA LYS A 29 64.178 -5.305 5.765 1.00 0.00 C ATOM 451 C LYS A 29 64.516 -5.884 4.391 1.00 0.00 C ATOM 452 O LYS A 29 64.529 -7.099 4.205 1.00 0.00 O ATOM 453 CB LYS A 29 62.680 -4.946 5.855 1.00 0.00 C ATOM 454 CG LYS A 29 61.957 -5.928 6.787 1.00 0.00 C ATOM 455 CD LYS A 29 60.532 -5.433 7.061 1.00 0.00 C ATOM 456 CE LYS A 29 60.573 -4.079 7.787 1.00 0.00 C ATOM 457 NZ LYS A 29 61.827 -3.969 8.586 1.00 0.00 N ATOM 0 H LYS A 29 64.487 -3.248 6.035 1.00 0.00 H new ATOM 0 HA LYS A 29 64.385 -6.052 6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 29 62.564 -3.928 6.226 1.00 0.00 H new ATOM 0 HB3 LYS A 29 62.231 -4.977 4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.926 -6.918 6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.505 -6.024 7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 29 59.986 -5.335 6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 29 59.995 -6.163 7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 29 60.521 -3.266 7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 29 59.706 -3.980 8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 61.686 -3.291 9.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 62.070 -4.900 8.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 62.601 -3.639 7.974 1.00 0.00 H new ATOM 471 N ILE A 30 64.797 -4.999 3.432 1.00 0.00 N ATOM 472 CA ILE A 30 65.141 -5.438 2.081 1.00 0.00 C ATOM 473 C ILE A 30 66.423 -6.277 2.112 1.00 0.00 C ATOM 474 O ILE A 30 66.528 -7.291 1.423 1.00 0.00 O ATOM 475 CB ILE A 30 65.341 -4.229 1.154 1.00 0.00 C ATOM 476 CG1 ILE A 30 64.070 -3.365 1.105 1.00 0.00 C ATOM 477 CG2 ILE A 30 65.673 -4.718 -0.257 1.00 0.00 C ATOM 478 CD1 ILE A 30 62.829 -4.239 0.904 1.00 0.00 C ATOM 0 H ILE A 30 64.793 -3.988 3.564 1.00 0.00 H new ATOM 0 HA ILE A 30 64.320 -6.044 1.698 1.00 0.00 H new ATOM 0 HB ILE A 30 66.161 -3.625 1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 30 63.975 -2.797 2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 30 64.147 -2.642 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 30 65.815 -3.861 -0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 30 66.587 -5.311 -0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 30 64.854 -5.331 -0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 30 61.941 -3.608 0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 30 62.918 -4.787 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 30 62.743 -4.945 1.730 1.00 0.00 H new ATOM 490 N GLN A 31 67.383 -5.849 2.924 1.00 0.00 N ATOM 491 CA GLN A 31 68.657 -6.559 3.063 1.00 0.00 C ATOM 492 C GLN A 31 68.467 -7.905 3.771 1.00 0.00 C ATOM 493 O GLN A 31 69.212 -8.857 3.530 1.00 0.00 O ATOM 494 CB GLN A 31 69.634 -5.697 3.870 1.00 0.00 C ATOM 495 CG GLN A 31 71.045 -6.300 3.811 1.00 0.00 C ATOM 496 CD GLN A 31 71.834 -5.898 5.052 1.00 0.00 C ATOM 497 OE1 GLN A 31 71.765 -4.669 5.486 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 72.530 -6.725 5.642 1.00 0.00 N flip ATOM 0 H GLN A 31 67.306 -5.011 3.500 1.00 0.00 H new ATOM 0 HA GLN A 31 69.054 -6.747 2.066 1.00 0.00 H new ATOM 0 HB2 GLN A 31 69.647 -4.682 3.474 1.00 0.00 H new ATOM 0 HB3 GLN A 31 69.302 -5.631 4.906 1.00 0.00 H new ATOM 0 HG2 GLN A 31 70.983 -7.386 3.745 1.00 0.00 H new ATOM 0 HG3 GLN A 31 71.560 -5.955 2.914 1.00 0.00 H new ATOM 0 HE21 GLN A 31 72.582 -7.685 5.300 1.00 0.00 H new ATOM 0 HE22 GLN A 31 73.055 -6.450 6.472 1.00 0.00 H new ATOM 507 N ASP A 32 67.498 -7.961 4.679 1.00 0.00 N ATOM 508 CA ASP A 32 67.245 -9.172 5.462 1.00 0.00 C ATOM 509 C ASP A 32 66.930 -10.395 4.594 1.00 0.00 C ATOM 510 O ASP A 32 67.447 -11.482 4.849 1.00 0.00 O ATOM 511 CB ASP A 32 66.080 -8.922 6.416 1.00 0.00 C ATOM 512 CG ASP A 32 65.806 -10.174 7.240 1.00 0.00 C ATOM 513 OD1 ASP A 32 66.732 -10.662 7.868 1.00 0.00 O ATOM 514 OD2 ASP A 32 64.675 -10.629 7.229 1.00 0.00 O ATOM 0 H ASP A 32 66.873 -7.184 4.893 1.00 0.00 H new ATOM 0 HA ASP A 32 68.161 -9.394 6.010 1.00 0.00 H new ATOM 0 HB2 ASP A 32 66.312 -8.086 7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 32 65.189 -8.646 5.852 1.00 0.00 H new ATOM 519 N LYS A 33 66.082 -10.233 3.584 1.00 0.00 N ATOM 520 CA LYS A 33 65.730 -11.366 2.726 1.00 0.00 C ATOM 521 C LYS A 33 66.979 -11.904 2.037 1.00 0.00 C ATOM 522 O LYS A 33 67.296 -13.091 2.132 1.00 0.00 O ATOM 523 CB LYS A 33 64.703 -10.933 1.673 1.00 0.00 C ATOM 524 CG LYS A 33 63.293 -10.899 2.290 1.00 0.00 C ATOM 525 CD LYS A 33 63.044 -9.540 2.958 1.00 0.00 C ATOM 526 CE LYS A 33 62.046 -9.704 4.107 1.00 0.00 C ATOM 527 NZ LYS A 33 61.081 -10.790 3.773 1.00 0.00 N ATOM 0 H LYS A 33 65.633 -9.350 3.340 1.00 0.00 H new ATOM 0 HA LYS A 33 65.294 -12.152 3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 33 64.962 -9.948 1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 33 64.723 -11.623 0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 33 62.545 -11.076 1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 33 63.189 -11.698 3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 33 63.982 -9.132 3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 33 62.658 -8.830 2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 33 62.574 -9.943 5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 33 61.513 -8.768 4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 60.256 -10.727 4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 60.771 -10.687 2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 61.542 -11.714 3.897 1.00 0.00 H new ATOM 541 N GLU A 34 67.694 -11.012 1.369 1.00 0.00 N ATOM 542 CA GLU A 34 68.932 -11.367 0.682 1.00 0.00 C ATOM 543 C GLU A 34 69.960 -10.289 0.985 1.00 0.00 C ATOM 544 O GLU A 34 69.586 -9.163 1.304 1.00 0.00 O ATOM 545 CB GLU A 34 68.695 -11.459 -0.832 1.00 0.00 C ATOM 546 CG GLU A 34 68.362 -12.904 -1.219 1.00 0.00 C ATOM 547 CD GLU A 34 67.713 -12.939 -2.600 1.00 0.00 C ATOM 548 OE1 GLU A 34 68.440 -12.873 -3.576 1.00 0.00 O ATOM 549 OE2 GLU A 34 66.498 -13.031 -2.658 1.00 0.00 O ATOM 0 H GLU A 34 67.438 -10.028 1.286 1.00 0.00 H new ATOM 0 HA GLU A 34 69.287 -12.338 1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 34 67.878 -10.798 -1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 34 69.582 -11.124 -1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 34 69.270 -13.507 -1.220 1.00 0.00 H new ATOM 0 HG3 GLU A 34 67.689 -13.341 -0.481 1.00 0.00 H new ATOM 556 N GLY A 35 71.246 -10.606 0.905 1.00 0.00 N ATOM 557 CA GLY A 35 72.233 -9.584 1.210 1.00 0.00 C ATOM 558 C GLY A 35 72.391 -8.634 0.053 1.00 0.00 C ATOM 559 O GLY A 35 72.933 -8.967 -1.001 1.00 0.00 O ATOM 0 H GLY A 35 71.617 -11.520 0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 35 71.930 -9.033 2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 35 73.191 -10.052 1.436 1.00 0.00 H new ATOM 563 N ILE A 36 71.960 -7.427 0.312 1.00 0.00 N ATOM 564 CA ILE A 36 72.074 -6.343 -0.622 1.00 0.00 C ATOM 565 C ILE A 36 72.124 -5.094 0.224 1.00 0.00 C ATOM 566 O ILE A 36 71.189 -4.823 0.977 1.00 0.00 O ATOM 567 CB ILE A 36 70.876 -6.304 -1.581 1.00 0.00 C ATOM 568 CG1 ILE A 36 69.576 -6.546 -0.801 1.00 0.00 C ATOM 569 CG2 ILE A 36 71.045 -7.393 -2.646 1.00 0.00 C ATOM 570 CD1 ILE A 36 68.421 -6.784 -1.780 1.00 0.00 C ATOM 0 H ILE A 36 71.514 -7.168 1.192 1.00 0.00 H new ATOM 0 HA ILE A 36 72.959 -6.448 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 36 70.828 -5.326 -2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 36 69.691 -7.407 -0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 36 69.356 -5.687 -0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 36 70.196 -7.369 -3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.965 -7.217 -3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 36 71.095 -8.369 -2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 36 67.500 -6.955 -1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 36 68.300 -5.910 -2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 36 68.640 -7.657 -2.396 1.00 0.00 H new ATOM 582 N PRO A 37 73.167 -4.343 0.161 1.00 0.00 N ATOM 583 CA PRO A 37 73.257 -3.141 1.001 1.00 0.00 C ATOM 584 C PRO A 37 72.063 -2.215 0.751 1.00 0.00 C ATOM 585 O PRO A 37 71.752 -1.895 -0.395 1.00 0.00 O ATOM 586 CB PRO A 37 74.583 -2.492 0.612 1.00 0.00 C ATOM 587 CG PRO A 37 75.229 -3.341 -0.442 1.00 0.00 C ATOM 588 CD PRO A 37 74.339 -4.556 -0.689 1.00 0.00 C ATOM 0 HA PRO A 37 73.227 -3.369 2.067 1.00 0.00 H new ATOM 0 HB2 PRO A 37 74.416 -1.482 0.237 1.00 0.00 H new ATOM 0 HB3 PRO A 37 75.234 -2.406 1.482 1.00 0.00 H new ATOM 0 HG2 PRO A 37 75.358 -2.771 -1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 37 76.222 -3.656 -0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 37 74.057 -4.632 -1.739 1.00 0.00 H new ATOM 0 HD3 PRO A 37 74.853 -5.482 -0.429 1.00 0.00 H new ATOM 596 N PRO A 38 71.385 -1.794 1.793 1.00 0.00 N ATOM 597 CA PRO A 38 70.199 -0.906 1.654 1.00 0.00 C ATOM 598 C PRO A 38 70.544 0.420 0.978 1.00 0.00 C ATOM 599 O PRO A 38 69.735 0.969 0.229 1.00 0.00 O ATOM 600 CB PRO A 38 69.688 -0.679 3.083 1.00 0.00 C ATOM 601 CG PRO A 38 70.579 -1.443 4.012 1.00 0.00 C ATOM 602 CD PRO A 38 71.677 -2.125 3.194 1.00 0.00 C ATOM 0 HA PRO A 38 69.443 -1.365 1.016 1.00 0.00 H new ATOM 0 HB2 PRO A 38 69.700 0.383 3.329 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.656 -1.017 3.178 1.00 0.00 H new ATOM 0 HG2 PRO A 38 71.020 -0.772 4.749 1.00 0.00 H new ATOM 0 HG3 PRO A 38 70.002 -2.186 4.562 1.00 0.00 H new ATOM 0 HD2 PRO A 38 72.664 -1.765 3.485 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.672 -3.203 3.352 1.00 0.00 H new ATOM 610 N ASP A 39 71.741 0.931 1.242 1.00 0.00 N ATOM 611 CA ASP A 39 72.164 2.193 0.644 1.00 0.00 C ATOM 612 C ASP A 39 72.153 2.084 -0.878 1.00 0.00 C ATOM 613 O ASP A 39 72.329 3.077 -1.583 1.00 0.00 O ATOM 614 CB ASP A 39 73.571 2.562 1.126 1.00 0.00 C ATOM 615 CG ASP A 39 74.600 1.631 0.495 1.00 0.00 C ATOM 616 OD1 ASP A 39 75.025 1.913 -0.614 1.00 0.00 O ATOM 617 OD2 ASP A 39 74.950 0.651 1.131 1.00 0.00 O ATOM 0 H ASP A 39 72.429 0.498 1.858 1.00 0.00 H new ATOM 0 HA ASP A 39 71.467 2.973 0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 39 73.795 3.596 0.863 1.00 0.00 H new ATOM 0 HB3 ASP A 39 73.622 2.491 2.212 1.00 0.00 H new ATOM 622 N GLN A 40 71.942 0.869 -1.374 1.00 0.00 N ATOM 623 CA GLN A 40 71.905 0.630 -2.815 1.00 0.00 C ATOM 624 C GLN A 40 70.488 0.300 -3.266 1.00 0.00 C ATOM 625 O GLN A 40 70.194 0.286 -4.461 1.00 0.00 O ATOM 626 CB GLN A 40 72.828 -0.537 -3.176 1.00 0.00 C ATOM 627 CG GLN A 40 74.288 -0.110 -3.014 1.00 0.00 C ATOM 628 CD GLN A 40 75.209 -1.210 -3.530 1.00 0.00 C ATOM 629 OE1 GLN A 40 74.744 -2.188 -4.116 1.00 0.00 O ATOM 630 NE2 GLN A 40 76.497 -1.109 -3.345 1.00 0.00 N ATOM 0 H GLN A 40 71.794 0.037 -0.803 1.00 0.00 H new ATOM 0 HA GLN A 40 72.241 1.536 -3.320 1.00 0.00 H new ATOM 0 HB2 GLN A 40 72.616 -1.392 -2.535 1.00 0.00 H new ATOM 0 HB3 GLN A 40 72.644 -0.855 -4.202 1.00 0.00 H new ATOM 0 HG2 GLN A 40 74.469 0.815 -3.562 1.00 0.00 H new ATOM 0 HG3 GLN A 40 74.502 0.094 -1.965 1.00 0.00 H new ATOM 0 HE21 GLN A 40 76.880 -0.298 -2.859 1.00 0.00 H new ATOM 0 HE22 GLN A 40 77.120 -1.841 -3.686 1.00 0.00 H new ATOM 639 N GLN A 41 69.613 0.021 -2.304 1.00 0.00 N ATOM 640 CA GLN A 41 68.234 -0.322 -2.626 1.00 0.00 C ATOM 641 C GLN A 41 67.383 0.930 -2.826 1.00 0.00 C ATOM 642 O GLN A 41 67.323 1.803 -1.959 1.00 0.00 O ATOM 643 CB GLN A 41 67.639 -1.173 -1.506 1.00 0.00 C ATOM 644 CG GLN A 41 68.298 -2.552 -1.514 1.00 0.00 C ATOM 645 CD GLN A 41 67.860 -3.331 -2.750 1.00 0.00 C ATOM 646 OE1 GLN A 41 66.591 -3.409 -3.042 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 68.695 -3.879 -3.469 1.00 0.00 N flip ATOM 0 H GLN A 41 69.831 0.026 -1.308 1.00 0.00 H new ATOM 0 HA GLN A 41 68.235 -0.886 -3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 41 67.796 -0.688 -0.543 1.00 0.00 H new ATOM 0 HB3 GLN A 41 66.562 -1.271 -1.642 1.00 0.00 H new ATOM 0 HG2 GLN A 41 69.383 -2.446 -1.506 1.00 0.00 H new ATOM 0 HG3 GLN A 41 68.025 -3.100 -0.612 1.00 0.00 H new ATOM 0 HE21 GLN A 41 69.687 -3.816 -3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 41 68.396 -4.396 -4.296 1.00 0.00 H new ATOM 656 N ARG A 42 66.720 0.997 -3.978 1.00 0.00 N ATOM 657 CA ARG A 42 65.859 2.130 -4.309 1.00 0.00 C ATOM 658 C ARG A 42 64.489 1.626 -4.761 1.00 0.00 C ATOM 659 O ARG A 42 64.402 0.769 -5.641 1.00 0.00 O ATOM 660 CB ARG A 42 66.499 2.958 -5.426 1.00 0.00 C ATOM 661 CG ARG A 42 67.953 3.280 -5.051 1.00 0.00 C ATOM 662 CD ARG A 42 68.680 3.922 -6.242 1.00 0.00 C ATOM 663 NE ARG A 42 69.983 3.293 -6.427 1.00 0.00 N ATOM 664 CZ ARG A 42 70.672 3.451 -7.553 1.00 0.00 C ATOM 665 NH1 ARG A 42 70.541 4.549 -8.249 1.00 0.00 N ATOM 666 NH2 ARG A 42 71.478 2.509 -7.964 1.00 0.00 N ATOM 0 H ARG A 42 66.763 0.278 -4.700 1.00 0.00 H new ATOM 0 HA ARG A 42 65.736 2.755 -3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 42 66.467 2.407 -6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 42 65.938 3.880 -5.578 1.00 0.00 H new ATOM 0 HG2 ARG A 42 67.974 3.956 -4.196 1.00 0.00 H new ATOM 0 HG3 ARG A 42 68.469 2.368 -4.750 1.00 0.00 H new ATOM 0 HD2 ARG A 42 68.082 3.812 -7.146 1.00 0.00 H new ATOM 0 HD3 ARG A 42 68.804 4.991 -6.070 1.00 0.00 H new ATOM 0 HE ARG A 42 70.373 2.721 -5.678 1.00 0.00 H new ATOM 0 HH11 ARG A 42 69.911 5.284 -7.928 1.00 0.00 H new ATOM 0 HH12 ARG A 42 71.069 4.671 -9.113 1.00 0.00 H new ATOM 0 HH21 ARG A 42 71.579 1.651 -7.421 1.00 0.00 H new ATOM 0 HH22 ARG A 42 72.006 2.631 -8.828 1.00 0.00 H new ATOM 680 N LEU A 43 63.421 2.148 -4.158 1.00 0.00 N ATOM 681 CA LEU A 43 62.069 1.716 -4.523 1.00 0.00 C ATOM 682 C LEU A 43 61.145 2.913 -4.765 1.00 0.00 C ATOM 683 O LEU A 43 61.303 3.973 -4.159 1.00 0.00 O ATOM 684 CB LEU A 43 61.483 0.820 -3.419 1.00 0.00 C ATOM 685 CG LEU A 43 62.294 0.980 -2.126 1.00 0.00 C ATOM 686 CD1 LEU A 43 61.502 0.389 -0.956 1.00 0.00 C ATOM 687 CD2 LEU A 43 63.646 0.253 -2.256 1.00 0.00 C ATOM 0 H LEU A 43 63.461 2.858 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 43 62.140 1.149 -5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 43 60.441 1.085 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 43 61.496 -0.222 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 43 62.479 2.039 -1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 43 62.075 0.501 -0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 43 60.552 0.914 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 43 61.315 -0.669 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 43 64.214 0.373 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 43 63.473 -0.807 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 43 64.210 0.678 -3.086 1.00 0.00 H new ATOM 699 N ILE A 44 60.170 2.717 -5.656 1.00 0.00 N ATOM 700 CA ILE A 44 59.201 3.760 -5.989 1.00 0.00 C ATOM 701 C ILE A 44 57.786 3.184 -5.928 1.00 0.00 C ATOM 702 O ILE A 44 57.571 2.030 -6.287 1.00 0.00 O ATOM 703 CB ILE A 44 59.475 4.293 -7.399 1.00 0.00 C ATOM 704 CG1 ILE A 44 60.828 5.014 -7.423 1.00 0.00 C ATOM 705 CG2 ILE A 44 58.369 5.270 -7.803 1.00 0.00 C ATOM 706 CD1 ILE A 44 61.310 5.143 -8.870 1.00 0.00 C ATOM 0 H ILE A 44 60.032 1.841 -6.161 1.00 0.00 H new ATOM 0 HA ILE A 44 59.293 4.576 -5.272 1.00 0.00 H new ATOM 0 HB ILE A 44 59.496 3.459 -8.101 1.00 0.00 H new ATOM 0 HG12 ILE A 44 60.735 6.001 -6.970 1.00 0.00 H new ATOM 0 HG13 ILE A 44 61.558 4.460 -6.833 1.00 0.00 H new ATOM 0 HG21 ILE A 44 58.566 5.648 -8.806 1.00 0.00 H new ATOM 0 HG22 ILE A 44 57.408 4.756 -7.791 1.00 0.00 H new ATOM 0 HG23 ILE A 44 58.344 6.103 -7.100 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.272 5.655 -8.889 1.00 0.00 H new ATOM 0 HD12 ILE A 44 61.419 4.150 -9.307 1.00 0.00 H new ATOM 0 HD13 ILE A 44 60.583 5.715 -9.446 1.00 0.00 H new ATOM 718 N PHE A 45 56.825 3.982 -5.461 1.00 0.00 N ATOM 719 CA PHE A 45 55.440 3.513 -5.353 1.00 0.00 C ATOM 720 C PHE A 45 54.492 4.377 -6.186 1.00 0.00 C ATOM 721 O PHE A 45 54.299 5.555 -5.902 1.00 0.00 O ATOM 722 CB PHE A 45 54.998 3.546 -3.883 1.00 0.00 C ATOM 723 CG PHE A 45 53.491 3.435 -3.797 1.00 0.00 C ATOM 724 CD1 PHE A 45 52.869 2.188 -3.938 1.00 0.00 C ATOM 725 CD2 PHE A 45 52.717 4.581 -3.577 1.00 0.00 C ATOM 726 CE1 PHE A 45 51.474 2.089 -3.859 1.00 0.00 C ATOM 727 CE2 PHE A 45 51.322 4.480 -3.499 1.00 0.00 C ATOM 728 CZ PHE A 45 50.701 3.234 -3.640 1.00 0.00 C ATOM 0 H PHE A 45 56.975 4.943 -5.155 1.00 0.00 H new ATOM 0 HA PHE A 45 55.399 2.493 -5.735 1.00 0.00 H new ATOM 0 HB2 PHE A 45 55.464 2.727 -3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 45 55.331 4.472 -3.415 1.00 0.00 H new ATOM 0 HD1 PHE A 45 53.465 1.303 -4.108 1.00 0.00 H new ATOM 0 HD2 PHE A 45 53.196 5.543 -3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 45 50.995 1.127 -3.967 1.00 0.00 H new ATOM 0 HE2 PHE A 45 50.725 5.364 -3.330 1.00 0.00 H new ATOM 0 HZ PHE A 45 49.625 3.156 -3.580 1.00 0.00 H new ATOM 738 N ALA A 46 53.884 3.773 -7.201 1.00 0.00 N ATOM 739 CA ALA A 46 52.938 4.492 -8.050 1.00 0.00 C ATOM 740 C ALA A 46 53.492 5.849 -8.475 1.00 0.00 C ATOM 741 O ALA A 46 52.758 6.835 -8.535 1.00 0.00 O ATOM 742 CB ALA A 46 51.619 4.691 -7.300 1.00 0.00 C ATOM 0 H ALA A 46 54.027 2.796 -7.456 1.00 0.00 H new ATOM 0 HA ALA A 46 52.770 3.896 -8.947 1.00 0.00 H new ATOM 0 HB1 ALA A 46 50.916 5.228 -7.937 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.201 3.720 -7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.800 5.267 -6.393 1.00 0.00 H new ATOM 748 N GLY A 47 54.785 5.895 -8.775 1.00 0.00 N ATOM 749 CA GLY A 47 55.418 7.140 -9.197 1.00 0.00 C ATOM 750 C GLY A 47 55.965 7.917 -8.004 1.00 0.00 C ATOM 751 O GLY A 47 56.852 8.756 -8.156 1.00 0.00 O ATOM 0 H GLY A 47 55.412 5.091 -8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 47 56.228 6.921 -9.893 1.00 0.00 H new ATOM 0 HA3 GLY A 47 54.695 7.755 -9.733 1.00 0.00 H new ATOM 755 N LYS A 48 55.445 7.625 -6.814 1.00 0.00 N ATOM 756 CA LYS A 48 55.914 8.303 -5.609 1.00 0.00 C ATOM 757 C LYS A 48 57.228 7.684 -5.154 1.00 0.00 C ATOM 758 O LYS A 48 57.286 6.500 -4.824 1.00 0.00 O ATOM 759 CB LYS A 48 54.880 8.191 -4.485 1.00 0.00 C ATOM 760 CG LYS A 48 53.828 9.291 -4.636 1.00 0.00 C ATOM 761 CD LYS A 48 52.663 9.022 -3.674 1.00 0.00 C ATOM 762 CE LYS A 48 52.051 10.349 -3.216 1.00 0.00 C ATOM 763 NZ LYS A 48 52.870 10.915 -2.107 1.00 0.00 N ATOM 0 H LYS A 48 54.710 6.935 -6.659 1.00 0.00 H new ATOM 0 HA LYS A 48 56.063 9.358 -5.841 1.00 0.00 H new ATOM 0 HB2 LYS A 48 54.402 7.212 -4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 48 55.372 8.276 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 48 54.271 10.264 -4.424 1.00 0.00 H new ATOM 0 HG3 LYS A 48 53.465 9.323 -5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 48 51.906 8.413 -4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 48 53.015 8.456 -2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 48 52.012 11.051 -4.049 1.00 0.00 H new ATOM 0 HE3 LYS A 48 51.025 10.193 -2.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 52.456 11.816 -1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 52.885 10.246 -1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 53.841 11.078 -2.441 1.00 0.00 H new ATOM 777 N GLN A 49 58.282 8.487 -5.152 1.00 0.00 N ATOM 778 CA GLN A 49 59.593 7.999 -4.751 1.00 0.00 C ATOM 779 C GLN A 49 59.696 7.870 -3.236 1.00 0.00 C ATOM 780 O GLN A 49 59.552 8.853 -2.509 1.00 0.00 O ATOM 781 CB GLN A 49 60.681 8.952 -5.262 1.00 0.00 C ATOM 782 CG GLN A 49 60.634 10.270 -4.477 1.00 0.00 C ATOM 783 CD GLN A 49 61.311 11.381 -5.276 1.00 0.00 C ATOM 784 OE1 GLN A 49 60.698 11.967 -6.169 1.00 0.00 O ATOM 785 NE2 GLN A 49 62.544 11.710 -5.004 1.00 0.00 N ATOM 0 H GLN A 49 58.256 9.471 -5.421 1.00 0.00 H new ATOM 0 HA GLN A 49 59.734 7.010 -5.188 1.00 0.00 H new ATOM 0 HB2 GLN A 49 61.662 8.489 -5.154 1.00 0.00 H new ATOM 0 HB3 GLN A 49 60.536 9.147 -6.325 1.00 0.00 H new ATOM 0 HG2 GLN A 49 59.599 10.541 -4.268 1.00 0.00 H new ATOM 0 HG3 GLN A 49 61.132 10.148 -3.515 1.00 0.00 H new ATOM 0 HE21 GLN A 49 63.050 11.224 -4.264 1.00 0.00 H new ATOM 0 HE22 GLN A 49 63.002 12.454 -5.531 1.00 0.00 H new ATOM 794 N LEU A 50 59.980 6.657 -2.762 1.00 0.00 N ATOM 795 CA LEU A 50 60.139 6.434 -1.331 1.00 0.00 C ATOM 796 C LEU A 50 61.523 6.966 -0.934 1.00 0.00 C ATOM 797 O LEU A 50 62.524 6.677 -1.589 1.00 0.00 O ATOM 798 CB LEU A 50 59.957 4.943 -1.001 1.00 0.00 C ATOM 799 CG LEU A 50 58.529 4.502 -1.384 1.00 0.00 C ATOM 800 CD1 LEU A 50 58.439 2.972 -1.345 1.00 0.00 C ATOM 801 CD2 LEU A 50 57.501 5.097 -0.415 1.00 0.00 C ATOM 0 H LEU A 50 60.103 5.826 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 50 59.379 6.964 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 50 60.691 4.347 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 50 60.130 4.771 0.061 1.00 0.00 H new ATOM 0 HG LEU A 50 58.311 4.862 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 50 57.430 2.660 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 50 59.152 2.547 -2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 50 58.671 2.619 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 50 56.500 4.774 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 50 57.715 4.756 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 50 57.555 6.185 -0.450 1.00 0.00 H new ATOM 813 N GLU A 51 61.539 7.833 0.078 1.00 0.00 N ATOM 814 CA GLU A 51 62.761 8.530 0.507 1.00 0.00 C ATOM 815 C GLU A 51 63.609 7.844 1.593 1.00 0.00 C ATOM 816 O GLU A 51 63.438 6.684 1.953 1.00 0.00 O ATOM 817 CB GLU A 51 62.378 9.927 0.994 1.00 0.00 C ATOM 818 CG GLU A 51 61.427 10.570 -0.016 1.00 0.00 C ATOM 819 CD GLU A 51 61.094 11.995 0.411 1.00 0.00 C ATOM 820 OE1 GLU A 51 61.866 12.884 0.090 1.00 0.00 O ATOM 821 OE2 GLU A 51 60.072 12.178 1.052 1.00 0.00 O ATOM 0 H GLU A 51 60.712 8.074 0.624 1.00 0.00 H new ATOM 0 HA GLU A 51 63.400 8.537 -0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 51 61.901 9.866 1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.271 10.541 1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 51 61.885 10.576 -1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 51 60.513 9.982 -0.092 1.00 0.00 H new ATOM 828 N ASP A 52 64.553 8.652 2.066 1.00 0.00 N ATOM 829 CA ASP A 52 65.542 8.321 3.098 1.00 0.00 C ATOM 830 C ASP A 52 64.962 7.648 4.337 1.00 0.00 C ATOM 831 O ASP A 52 65.676 7.475 5.325 1.00 0.00 O ATOM 832 CB ASP A 52 66.268 9.595 3.526 1.00 0.00 C ATOM 833 CG ASP A 52 67.592 9.248 4.201 1.00 0.00 C ATOM 834 OD1 ASP A 52 68.260 8.346 3.722 1.00 0.00 O ATOM 835 OD2 ASP A 52 67.918 9.891 5.185 1.00 0.00 O ATOM 0 H ASP A 52 64.658 9.607 1.724 1.00 0.00 H new ATOM 0 HA ASP A 52 66.219 7.598 2.643 1.00 0.00 H new ATOM 0 HB2 ASP A 52 66.450 10.228 2.657 1.00 0.00 H new ATOM 0 HB3 ASP A 52 65.641 10.166 4.211 1.00 0.00 H new ATOM 840 N GLY A 53 63.682 7.330 4.333 1.00 0.00 N ATOM 841 CA GLY A 53 63.063 6.754 5.522 1.00 0.00 C ATOM 842 C GLY A 53 61.978 7.643 6.096 1.00 0.00 C ATOM 843 O GLY A 53 61.815 7.761 7.311 1.00 0.00 O ATOM 0 H GLY A 53 63.056 7.456 3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 53 62.638 5.782 5.272 1.00 0.00 H new ATOM 0 HA3 GLY A 53 63.828 6.583 6.280 1.00 0.00 H new ATOM 847 N ARG A 54 61.152 8.150 5.184 1.00 0.00 N ATOM 848 CA ARG A 54 59.975 8.895 5.572 1.00 0.00 C ATOM 849 C ARG A 54 58.981 7.805 5.896 1.00 0.00 C ATOM 850 O ARG A 54 59.190 6.671 5.464 1.00 0.00 O ATOM 851 CB ARG A 54 59.439 9.741 4.403 1.00 0.00 C ATOM 852 CG ARG A 54 59.717 11.225 4.662 1.00 0.00 C ATOM 853 CD ARG A 54 61.226 11.464 4.767 1.00 0.00 C ATOM 854 NE ARG A 54 61.548 12.821 4.337 1.00 0.00 N ATOM 855 CZ ARG A 54 62.803 13.186 4.092 1.00 0.00 C ATOM 856 NH1 ARG A 54 63.445 12.678 3.075 1.00 0.00 N ATOM 857 NH2 ARG A 54 63.392 14.057 4.866 1.00 0.00 N ATOM 0 H ARG A 54 61.282 8.055 4.177 1.00 0.00 H new ATOM 0 HA ARG A 54 60.169 9.587 6.391 1.00 0.00 H new ATOM 0 HB2 ARG A 54 59.912 9.431 3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 54 58.368 9.578 4.286 1.00 0.00 H new ATOM 0 HG2 ARG A 54 59.300 11.828 3.855 1.00 0.00 H new ATOM 0 HG3 ARG A 54 59.225 11.540 5.582 1.00 0.00 H new ATOM 0 HD2 ARG A 54 61.556 11.311 5.795 1.00 0.00 H new ATOM 0 HD3 ARG A 54 61.761 10.742 4.150 1.00 0.00 H new ATOM 0 HE ARG A 54 60.797 13.502 4.222 1.00 0.00 H new ATOM 0 HH11 ARG A 54 62.984 12.001 2.468 1.00 0.00 H new ATOM 0 HH12 ARG A 54 64.408 12.959 2.888 1.00 0.00 H new ATOM 0 HH21 ARG A 54 62.890 14.457 5.658 1.00 0.00 H new ATOM 0 HH22 ARG A 54 64.355 14.337 4.678 1.00 0.00 H new ATOM 871 N THR A 55 57.922 8.059 6.642 1.00 0.00 N ATOM 872 CA THR A 55 57.044 6.936 6.914 1.00 0.00 C ATOM 873 C THR A 55 56.143 6.670 5.722 1.00 0.00 C ATOM 874 O THR A 55 55.638 7.590 5.085 1.00 0.00 O ATOM 875 CB THR A 55 56.199 7.234 8.143 1.00 0.00 C ATOM 876 OG1 THR A 55 57.030 7.231 9.295 1.00 0.00 O ATOM 877 CG2 THR A 55 55.107 6.179 8.301 1.00 0.00 C ATOM 0 H THR A 55 57.660 8.959 7.044 1.00 0.00 H new ATOM 0 HA THR A 55 57.651 6.050 7.098 1.00 0.00 H new ATOM 0 HB THR A 55 55.731 8.212 8.026 1.00 0.00 H new ATOM 0 HG1 THR A 55 56.489 7.424 10.089 1.00 0.00 H new ATOM 0 HG21 THR A 55 54.509 6.404 9.184 1.00 0.00 H new ATOM 0 HG22 THR A 55 54.467 6.183 7.419 1.00 0.00 H new ATOM 0 HG23 THR A 55 55.564 5.196 8.413 1.00 0.00 H new ATOM 885 N LEU A 56 55.945 5.390 5.456 1.00 0.00 N ATOM 886 CA LEU A 56 55.100 4.942 4.364 1.00 0.00 C ATOM 887 C LEU A 56 53.609 5.039 4.684 1.00 0.00 C ATOM 888 O LEU A 56 52.793 5.237 3.786 1.00 0.00 O ATOM 889 CB LEU A 56 55.516 3.546 3.918 1.00 0.00 C ATOM 890 CG LEU A 56 56.261 3.647 2.571 1.00 0.00 C ATOM 891 CD1 LEU A 56 57.466 4.591 2.714 1.00 0.00 C ATOM 892 CD2 LEU A 56 56.755 2.264 2.125 1.00 0.00 C ATOM 0 H LEU A 56 56.367 4.632 5.992 1.00 0.00 H new ATOM 0 HA LEU A 56 55.251 5.623 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 56 56.159 3.087 4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 56 54.639 2.907 3.816 1.00 0.00 H new ATOM 0 HG LEU A 56 55.571 4.037 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 56 57.990 4.660 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 56 57.119 5.581 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 56 58.145 4.202 3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 56 57.278 2.354 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 56 57.435 1.861 2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 56 55.903 1.593 2.009 1.00 0.00 H new ATOM 904 N SER A 57 53.241 4.891 5.949 1.00 0.00 N ATOM 905 CA SER A 57 51.829 4.970 6.292 1.00 0.00 C ATOM 906 C SER A 57 51.318 6.288 5.768 1.00 0.00 C ATOM 907 O SER A 57 50.167 6.408 5.347 1.00 0.00 O ATOM 908 CB SER A 57 51.614 4.896 7.805 1.00 0.00 C ATOM 909 OG SER A 57 50.330 5.419 8.121 1.00 0.00 O ATOM 0 H SER A 57 53.875 4.721 6.730 1.00 0.00 H new ATOM 0 HA SER A 57 51.294 4.129 5.850 1.00 0.00 H new ATOM 0 HB2 SER A 57 51.693 3.864 8.146 1.00 0.00 H new ATOM 0 HB3 SER A 57 52.388 5.463 8.323 1.00 0.00 H new ATOM 0 HG SER A 57 50.187 5.372 9.089 1.00 0.00 H new ATOM 915 N ASP A 58 52.223 7.265 5.739 1.00 0.00 N ATOM 916 CA ASP A 58 51.910 8.577 5.197 1.00 0.00 C ATOM 917 C ASP A 58 51.808 8.455 3.680 1.00 0.00 C ATOM 918 O ASP A 58 51.081 9.203 3.025 1.00 0.00 O ATOM 919 CB ASP A 58 53.005 9.581 5.569 1.00 0.00 C ATOM 920 CG ASP A 58 52.584 10.988 5.160 1.00 0.00 C ATOM 921 OD1 ASP A 58 52.856 11.363 4.033 1.00 0.00 O ATOM 922 OD2 ASP A 58 51.995 11.671 5.983 1.00 0.00 O ATOM 0 H ASP A 58 53.177 7.168 6.086 1.00 0.00 H new ATOM 0 HA ASP A 58 50.967 8.934 5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 58 53.192 9.546 6.642 1.00 0.00 H new ATOM 0 HB3 ASP A 58 53.938 9.314 5.074 1.00 0.00 H new ATOM 927 N TYR A 59 52.538 7.477 3.140 1.00 0.00 N ATOM 928 CA TYR A 59 52.533 7.215 1.705 1.00 0.00 C ATOM 929 C TYR A 59 51.279 6.430 1.350 1.00 0.00 C ATOM 930 O TYR A 59 50.996 6.178 0.179 1.00 0.00 O ATOM 931 CB TYR A 59 53.769 6.408 1.312 1.00 0.00 C ATOM 932 CG TYR A 59 54.885 7.349 1.000 1.00 0.00 C ATOM 933 CD1 TYR A 59 55.482 8.069 2.028 1.00 0.00 C ATOM 934 CD2 TYR A 59 55.319 7.501 -0.317 1.00 0.00 C ATOM 935 CE1 TYR A 59 56.527 8.956 1.743 1.00 0.00 C ATOM 936 CE2 TYR A 59 56.364 8.386 -0.606 1.00 0.00 C ATOM 937 CZ TYR A 59 56.970 9.114 0.425 1.00 0.00 C ATOM 938 OH TYR A 59 58.001 9.985 0.141 1.00 0.00 O ATOM 0 H TYR A 59 53.140 6.854 3.678 1.00 0.00 H new ATOM 0 HA TYR A 59 52.546 8.162 1.165 1.00 0.00 H new ATOM 0 HB2 TYR A 59 54.056 5.740 2.124 1.00 0.00 H new ATOM 0 HB3 TYR A 59 53.551 5.783 0.446 1.00 0.00 H new ATOM 0 HD1 TYR A 59 55.140 7.944 3.045 1.00 0.00 H new ATOM 0 HD2 TYR A 59 54.850 6.938 -1.111 1.00 0.00 H new ATOM 0 HE1 TYR A 59 56.991 9.518 2.540 1.00 0.00 H new ATOM 0 HE2 TYR A 59 56.703 8.507 -1.624 1.00 0.00 H new ATOM 0 HH TYR A 59 58.456 9.697 -0.678 1.00 0.00 H new ATOM 948 N ASN A 60 50.532 6.055 2.381 1.00 0.00 N ATOM 949 CA ASN A 60 49.304 5.303 2.187 1.00 0.00 C ATOM 950 C ASN A 60 49.591 3.975 1.496 1.00 0.00 C ATOM 951 O ASN A 60 48.889 3.593 0.560 1.00 0.00 O ATOM 952 CB ASN A 60 48.320 6.128 1.348 1.00 0.00 C ATOM 953 CG ASN A 60 46.885 5.827 1.772 1.00 0.00 C ATOM 954 OD1 ASN A 60 46.188 6.709 2.274 1.00 0.00 O ATOM 955 ND2 ASN A 60 46.401 4.627 1.598 1.00 0.00 N ATOM 0 H ASN A 60 50.756 6.259 3.355 1.00 0.00 H new ATOM 0 HA ASN A 60 48.863 5.096 3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 60 48.528 7.191 1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 60 48.450 5.898 0.291 1.00 0.00 H new ATOM 0 HD21 ASN A 60 45.443 4.418 1.878 1.00 0.00 H new ATOM 0 HD22 ASN A 60 46.981 3.899 1.182 1.00 0.00 H new ATOM 962 N ILE A 61 50.627 3.271 1.949 1.00 0.00 N ATOM 963 CA ILE A 61 50.960 1.998 1.332 1.00 0.00 C ATOM 964 C ILE A 61 49.830 1.002 1.552 1.00 0.00 C ATOM 965 O ILE A 61 49.213 0.936 2.615 1.00 0.00 O ATOM 966 CB ILE A 61 52.274 1.436 1.858 1.00 0.00 C ATOM 967 CG1 ILE A 61 53.417 2.396 1.511 1.00 0.00 C ATOM 968 CG2 ILE A 61 52.539 0.073 1.217 1.00 0.00 C ATOM 969 CD1 ILE A 61 53.450 2.681 0.004 1.00 0.00 C ATOM 0 H ILE A 61 51.233 3.554 2.720 1.00 0.00 H new ATOM 0 HA ILE A 61 51.087 2.170 0.263 1.00 0.00 H new ATOM 0 HB ILE A 61 52.213 1.322 2.940 1.00 0.00 H new ATOM 0 HG12 ILE A 61 53.293 3.330 2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 61 54.368 1.965 1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 61 53.479 -0.329 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 61 51.727 -0.610 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 61 52.600 0.186 0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 61 54.269 3.365 -0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 61 53.598 1.748 -0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 61 52.507 3.133 -0.301 1.00 0.00 H new ATOM 981 N GLN A 62 49.540 0.293 0.473 1.00 0.00 N ATOM 982 CA GLN A 62 48.445 -0.663 0.408 1.00 0.00 C ATOM 983 C GLN A 62 48.863 -2.112 0.636 1.00 0.00 C ATOM 984 O GLN A 62 50.001 -2.423 0.981 1.00 0.00 O ATOM 985 CB GLN A 62 47.755 -0.549 -0.953 1.00 0.00 C ATOM 986 CG GLN A 62 48.793 -0.628 -2.073 1.00 0.00 C ATOM 987 CD GLN A 62 48.132 -0.314 -3.410 1.00 0.00 C ATOM 988 OE1 GLN A 62 48.612 0.539 -4.155 1.00 0.00 O ATOM 989 NE2 GLN A 62 47.049 -0.952 -3.758 1.00 0.00 N ATOM 0 H GLN A 62 50.067 0.366 -0.397 1.00 0.00 H new ATOM 0 HA GLN A 62 47.769 -0.407 1.224 1.00 0.00 H new ATOM 0 HB2 GLN A 62 47.023 -1.349 -1.067 1.00 0.00 H new ATOM 0 HB3 GLN A 62 47.210 0.393 -1.016 1.00 0.00 H new ATOM 0 HG2 GLN A 62 49.602 0.077 -1.882 1.00 0.00 H new ATOM 0 HG3 GLN A 62 49.237 -1.623 -2.101 1.00 0.00 H new ATOM 0 HE21 GLN A 62 46.652 -1.659 -3.139 1.00 0.00 H new ATOM 0 HE22 GLN A 62 46.599 -0.744 -4.649 1.00 0.00 H new ATOM 998 N LYS A 63 47.860 -2.959 0.437 1.00 0.00 N ATOM 999 CA LYS A 63 47.914 -4.411 0.579 1.00 0.00 C ATOM 1000 C LYS A 63 49.179 -5.076 0.024 1.00 0.00 C ATOM 1001 O LYS A 63 49.114 -6.234 -0.366 1.00 0.00 O ATOM 1002 CB LYS A 63 46.691 -5.039 -0.093 1.00 0.00 C ATOM 1003 CG LYS A 63 46.601 -4.577 -1.553 1.00 0.00 C ATOM 1004 CD LYS A 63 45.957 -5.682 -2.401 1.00 0.00 C ATOM 1005 CE LYS A 63 45.376 -5.087 -3.692 1.00 0.00 C ATOM 1006 NZ LYS A 63 43.894 -5.002 -3.569 1.00 0.00 N ATOM 0 H LYS A 63 46.935 -2.634 0.156 1.00 0.00 H new ATOM 0 HA LYS A 63 47.927 -4.591 1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 63 46.760 -6.126 -0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 63 45.785 -4.756 0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 63 46.012 -3.662 -1.620 1.00 0.00 H new ATOM 0 HG3 LYS A 63 47.595 -4.345 -1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 63 46.698 -6.443 -2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 63 45.169 -6.175 -1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 63 45.795 -4.097 -3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 63 45.647 -5.707 -4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 43.496 -4.599 -4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 43.503 -5.954 -3.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 43.647 -4.393 -2.763 1.00 0.00 H new ATOM 1020 N GLU A 64 50.302 -4.359 -0.040 1.00 0.00 N ATOM 1021 CA GLU A 64 51.548 -4.918 -0.593 1.00 0.00 C ATOM 1022 C GLU A 64 51.699 -4.677 -2.093 1.00 0.00 C ATOM 1023 O GLU A 64 51.939 -5.578 -2.892 1.00 0.00 O ATOM 1024 CB GLU A 64 51.656 -6.425 -0.267 1.00 0.00 C ATOM 1025 CG GLU A 64 51.007 -7.300 -1.366 1.00 0.00 C ATOM 1026 CD GLU A 64 50.313 -8.505 -0.736 1.00 0.00 C ATOM 1027 OE1 GLU A 64 51.000 -9.314 -0.135 1.00 0.00 O ATOM 1028 OE2 GLU A 64 49.103 -8.603 -0.867 1.00 0.00 O ATOM 0 H GLU A 64 50.380 -3.394 0.281 1.00 0.00 H new ATOM 0 HA GLU A 64 52.369 -4.387 -0.112 1.00 0.00 H new ATOM 0 HB2 GLU A 64 52.705 -6.699 -0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 64 51.173 -6.625 0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 64 50.286 -6.711 -1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 64 51.768 -7.636 -2.071 1.00 0.00 H new ATOM 1035 N SER A 65 51.597 -3.399 -2.423 1.00 0.00 N ATOM 1036 CA SER A 65 51.760 -2.899 -3.781 1.00 0.00 C ATOM 1037 C SER A 65 53.169 -3.167 -4.319 1.00 0.00 C ATOM 1038 O SER A 65 54.122 -3.320 -3.555 1.00 0.00 O ATOM 1039 CB SER A 65 51.531 -1.398 -3.784 1.00 0.00 C ATOM 1040 OG SER A 65 50.346 -1.108 -4.513 1.00 0.00 O ATOM 0 H SER A 65 51.395 -2.666 -1.743 1.00 0.00 H new ATOM 0 HA SER A 65 51.040 -3.415 -4.416 1.00 0.00 H new ATOM 0 HB2 SER A 65 51.443 -1.029 -2.762 1.00 0.00 H new ATOM 0 HB3 SER A 65 52.383 -0.889 -4.234 1.00 0.00 H new ATOM 0 HG SER A 65 50.173 -0.144 -4.486 1.00 0.00 H new ATOM 1046 N THR A 66 53.288 -3.196 -5.646 1.00 0.00 N ATOM 1047 CA THR A 66 54.579 -3.413 -6.297 1.00 0.00 C ATOM 1048 C THR A 66 55.332 -2.087 -6.406 1.00 0.00 C ATOM 1049 O THR A 66 54.768 -1.082 -6.837 1.00 0.00 O ATOM 1050 CB THR A 66 54.370 -3.978 -7.708 1.00 0.00 C ATOM 1051 OG1 THR A 66 53.230 -3.368 -8.294 1.00 0.00 O ATOM 1052 CG2 THR A 66 54.162 -5.487 -7.638 1.00 0.00 C ATOM 0 H THR A 66 52.507 -3.072 -6.290 1.00 0.00 H new ATOM 0 HA THR A 66 55.155 -4.121 -5.701 1.00 0.00 H new ATOM 0 HB THR A 66 55.251 -3.768 -8.314 1.00 0.00 H new ATOM 0 HG1 THR A 66 53.229 -2.410 -8.087 1.00 0.00 H new ATOM 0 HG21 THR A 66 54.014 -5.881 -8.644 1.00 0.00 H new ATOM 0 HG22 THR A 66 55.039 -5.955 -7.190 1.00 0.00 H new ATOM 0 HG23 THR A 66 53.284 -5.705 -7.030 1.00 0.00 H new ATOM 1060 N LEU A 67 56.604 -2.085 -6.008 1.00 0.00 N ATOM 1061 CA LEU A 67 57.408 -0.865 -6.067 1.00 0.00 C ATOM 1062 C LEU A 67 58.254 -0.842 -7.341 1.00 0.00 C ATOM 1063 O LEU A 67 58.738 -1.879 -7.795 1.00 0.00 O ATOM 1064 CB LEU A 67 58.316 -0.771 -4.833 1.00 0.00 C ATOM 1065 CG LEU A 67 57.510 -1.115 -3.577 1.00 0.00 C ATOM 1066 CD1 LEU A 67 58.416 -1.043 -2.346 1.00 0.00 C ATOM 1067 CD2 LEU A 67 56.360 -0.117 -3.419 1.00 0.00 C ATOM 0 H LEU A 67 57.095 -2.903 -5.646 1.00 0.00 H new ATOM 0 HA LEU A 67 56.735 -0.008 -6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 67 59.159 -1.455 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 67 58.730 0.234 -4.749 1.00 0.00 H new ATOM 0 HG LEU A 67 57.109 -2.124 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 67 57.839 -1.288 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 67 59.235 -1.754 -2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 67 58.820 -0.035 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 67 55.786 -0.362 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 67 56.763 0.891 -3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 67 55.710 -0.169 -4.293 1.00 0.00 H new ATOM 1079 N HIS A 68 58.406 0.348 -7.925 1.00 0.00 N ATOM 1080 CA HIS A 68 59.171 0.503 -9.164 1.00 0.00 C ATOM 1081 C HIS A 68 60.655 0.739 -8.880 1.00 0.00 C ATOM 1082 O HIS A 68 61.017 1.546 -8.024 1.00 0.00 O ATOM 1083 CB HIS A 68 58.609 1.687 -9.972 1.00 0.00 C ATOM 1084 CG HIS A 68 57.877 1.185 -11.191 1.00 0.00 C ATOM 1085 ND1 HIS A 68 56.962 0.146 -11.130 1.00 0.00 N ATOM 1086 CD2 HIS A 68 57.913 1.577 -12.507 1.00 0.00 C ATOM 1087 CE1 HIS A 68 56.489 -0.051 -12.375 1.00 0.00 C ATOM 1088 NE2 HIS A 68 57.036 0.794 -13.252 1.00 0.00 N ATOM 0 H HIS A 68 58.011 1.216 -7.562 1.00 0.00 H new ATOM 0 HA HIS A 68 59.077 -0.420 -9.736 1.00 0.00 H new ATOM 0 HB2 HIS A 68 57.934 2.274 -9.349 1.00 0.00 H new ATOM 0 HB3 HIS A 68 59.421 2.349 -10.273 1.00 0.00 H new ATOM 0 HD2 HIS A 68 58.528 2.372 -12.903 1.00 0.00 H new ATOM 0 HE1 HIS A 68 55.756 -0.801 -12.633 1.00 0.00 H new ATOM 0 HE2 HIS A 68 56.851 0.853 -14.253 1.00 0.00 H new ATOM 1096 N LEU A 69 61.505 0.035 -9.627 1.00 0.00 N ATOM 1097 CA LEU A 69 62.954 0.171 -9.481 1.00 0.00 C ATOM 1098 C LEU A 69 63.575 0.588 -10.812 1.00 0.00 C ATOM 1099 O LEU A 69 62.917 0.544 -11.851 1.00 0.00 O ATOM 1100 CB LEU A 69 63.574 -1.152 -9.026 1.00 0.00 C ATOM 1101 CG LEU A 69 63.013 -1.549 -7.649 1.00 0.00 C ATOM 1102 CD1 LEU A 69 61.990 -2.674 -7.816 1.00 0.00 C ATOM 1103 CD2 LEU A 69 64.152 -2.035 -6.747 1.00 0.00 C ATOM 0 H LEU A 69 61.215 -0.635 -10.339 1.00 0.00 H new ATOM 0 HA LEU A 69 63.153 0.934 -8.729 1.00 0.00 H new ATOM 0 HB2 LEU A 69 63.359 -1.934 -9.755 1.00 0.00 H new ATOM 0 HB3 LEU A 69 64.658 -1.056 -8.972 1.00 0.00 H new ATOM 0 HG LEU A 69 62.533 -0.681 -7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 69 61.594 -2.954 -6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 69 61.175 -2.333 -8.454 1.00 0.00 H new ATOM 0 HD13 LEU A 69 62.471 -3.538 -8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 69 63.751 -2.315 -5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 69 64.634 -2.900 -7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 69 64.883 -1.236 -6.622 1.00 0.00 H new