USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=16 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= -2.59! C(o=-5.9!,f=-5.8!) USER MOD Set 1.2: A 65 SER OG : rot 174:sc= -3.36! USER MOD Set 2.1: A 25 ASN : amide:sc= -4.83! C(o=-10!,f=-3.9!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 171:sc= -5.22! (180deg=-1.08) USER MOD Single : A 2 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.19) USER MOD Single : A 6 LYS NZ :NH3+ -159:sc= -0.0236 (180deg=-0.835) USER MOD Single : A 7 THR OG1 : rot -87:sc= 1.27 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 11 LYS NZ :NH3+ -159:sc=-0.00107 (180deg=-0.52) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 112:sc= 0.165 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0749 USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= -4.16! (180deg=-4.45!) USER MOD Single : A 31 GLN : amide:sc= -4.36! C(o=-4.4!,f=-7.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.296 K(o=-0.3,f=-3.1!) USER MOD Single : A 41 GLN : amide:sc= -9.8! C(o=-9.8!,f=-9.3!) USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= -0.102 (180deg=-0.717) USER MOD Single : A 49 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.11) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -2.35 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.359 USER MOD Single : A 60 ASN : amide:sc= -0.231 K(o=-0.23,f=-1.8) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -12:sc= 0.723! USER MOD Single : A 68 HIS : no HD1:sc= -0.0292 X(o=-0.029,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 51.036 -5.163 4.453 1.00 0.00 N ATOM 21 CA GLN A 2 52.217 -5.851 3.937 1.00 0.00 C ATOM 22 C GLN A 2 52.773 -5.089 2.748 1.00 0.00 C ATOM 23 O GLN A 2 52.097 -4.222 2.205 1.00 0.00 O ATOM 24 CB GLN A 2 51.844 -7.284 3.532 1.00 0.00 C ATOM 25 CG GLN A 2 52.113 -8.241 4.697 1.00 0.00 C ATOM 26 CD GLN A 2 51.259 -7.851 5.899 1.00 0.00 C ATOM 27 OE1 GLN A 2 50.110 -8.277 6.011 1.00 0.00 O ATOM 28 NE2 GLN A 2 51.757 -7.061 6.809 1.00 0.00 N ATOM 0 HA GLN A 2 52.982 -5.895 4.712 1.00 0.00 H new ATOM 0 HB2 GLN A 2 50.793 -7.329 3.248 1.00 0.00 H new ATOM 0 HB3 GLN A 2 52.423 -7.587 2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 2 51.888 -9.265 4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 2 53.169 -8.212 4.966 1.00 0.00 H new ATOM 0 HE21 GLN A 2 52.710 -6.710 6.713 1.00 0.00 H new ATOM 0 HE22 GLN A 2 51.194 -6.794 7.617 1.00 0.00 H new ATOM 37 N ILE A 3 54.002 -5.406 2.353 1.00 0.00 N ATOM 38 CA ILE A 3 54.620 -4.734 1.215 1.00 0.00 C ATOM 39 C ILE A 3 55.185 -5.752 0.249 1.00 0.00 C ATOM 40 O ILE A 3 55.811 -6.737 0.645 1.00 0.00 O ATOM 41 CB ILE A 3 55.705 -3.757 1.675 1.00 0.00 C ATOM 42 CG1 ILE A 3 55.013 -2.494 2.231 1.00 0.00 C ATOM 43 CG2 ILE A 3 56.614 -3.388 0.488 1.00 0.00 C ATOM 44 CD1 ILE A 3 55.829 -1.242 1.911 1.00 0.00 C ATOM 0 H ILE A 3 54.584 -6.116 2.798 1.00 0.00 H new ATOM 0 HA ILE A 3 53.852 -4.157 0.700 1.00 0.00 H new ATOM 0 HB ILE A 3 56.322 -4.214 2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 3 54.015 -2.402 1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 3 54.889 -2.587 3.310 1.00 0.00 H new ATOM 0 HG21 ILE A 3 57.384 -2.692 0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 3 57.085 -4.290 0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 3 56.018 -2.920 -0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 3 55.322 -0.365 2.313 1.00 0.00 H new ATOM 0 HD12 ILE A 3 56.818 -1.327 2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 3 55.930 -1.140 0.831 1.00 0.00 H new ATOM 56 N PHE A 4 54.929 -5.504 -1.023 1.00 0.00 N ATOM 57 CA PHE A 4 55.371 -6.385 -2.087 1.00 0.00 C ATOM 58 C PHE A 4 56.471 -5.720 -2.911 1.00 0.00 C ATOM 59 O PHE A 4 56.430 -4.516 -3.164 1.00 0.00 O ATOM 60 CB PHE A 4 54.177 -6.683 -2.995 1.00 0.00 C ATOM 61 CG PHE A 4 53.359 -7.852 -2.481 1.00 0.00 C ATOM 62 CD1 PHE A 4 53.398 -8.234 -1.131 1.00 0.00 C ATOM 63 CD2 PHE A 4 52.551 -8.560 -3.380 1.00 0.00 C ATOM 64 CE1 PHE A 4 52.629 -9.318 -0.687 1.00 0.00 C ATOM 65 CE2 PHE A 4 51.784 -9.643 -2.934 1.00 0.00 C ATOM 66 CZ PHE A 4 51.824 -10.023 -1.589 1.00 0.00 C ATOM 0 H PHE A 4 54.410 -4.688 -1.346 1.00 0.00 H new ATOM 0 HA PHE A 4 55.766 -7.304 -1.654 1.00 0.00 H new ATOM 0 HB2 PHE A 4 53.544 -5.799 -3.065 1.00 0.00 H new ATOM 0 HB3 PHE A 4 54.532 -6.902 -4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 4 54.021 -7.692 -0.434 1.00 0.00 H new ATOM 0 HD2 PHE A 4 52.520 -8.270 -4.420 1.00 0.00 H new ATOM 0 HE1 PHE A 4 52.658 -9.610 0.352 1.00 0.00 H new ATOM 0 HE2 PHE A 4 51.161 -10.185 -3.630 1.00 0.00 H new ATOM 0 HZ PHE A 4 51.234 -10.860 -1.246 1.00 0.00 H new ATOM 76 N VAL A 5 57.445 -6.517 -3.336 1.00 0.00 N ATOM 77 CA VAL A 5 58.545 -6.008 -4.147 1.00 0.00 C ATOM 78 C VAL A 5 58.742 -6.911 -5.361 1.00 0.00 C ATOM 79 O VAL A 5 58.718 -8.137 -5.240 1.00 0.00 O ATOM 80 CB VAL A 5 59.836 -5.943 -3.315 1.00 0.00 C ATOM 81 CG1 VAL A 5 60.614 -4.671 -3.667 1.00 0.00 C ATOM 82 CG2 VAL A 5 59.480 -5.919 -1.826 1.00 0.00 C ATOM 0 H VAL A 5 57.496 -7.515 -3.133 1.00 0.00 H new ATOM 0 HA VAL A 5 58.304 -5.000 -4.485 1.00 0.00 H new ATOM 0 HB VAL A 5 60.450 -6.817 -3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 5 61.528 -4.628 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 5 60.868 -4.681 -4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 5 60.000 -3.797 -3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 5 60.394 -5.873 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 5 58.865 -5.044 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 5 58.927 -6.823 -1.570 1.00 0.00 H new ATOM 92 N LYS A 6 58.923 -6.306 -6.530 1.00 0.00 N ATOM 93 CA LYS A 6 59.107 -7.078 -7.757 1.00 0.00 C ATOM 94 C LYS A 6 60.582 -7.133 -8.142 1.00 0.00 C ATOM 95 O LYS A 6 61.227 -6.100 -8.321 1.00 0.00 O ATOM 96 CB LYS A 6 58.298 -6.449 -8.896 1.00 0.00 C ATOM 97 CG LYS A 6 58.029 -7.502 -9.975 1.00 0.00 C ATOM 98 CD LYS A 6 57.329 -6.845 -11.168 1.00 0.00 C ATOM 99 CE LYS A 6 56.583 -7.908 -11.979 1.00 0.00 C ATOM 100 NZ LYS A 6 57.395 -9.157 -12.030 1.00 0.00 N ATOM 0 H LYS A 6 58.946 -5.294 -6.655 1.00 0.00 H new ATOM 0 HA LYS A 6 58.755 -8.094 -7.581 1.00 0.00 H new ATOM 0 HB2 LYS A 6 57.356 -6.057 -8.513 1.00 0.00 H new ATOM 0 HB3 LYS A 6 58.844 -5.608 -9.322 1.00 0.00 H new ATOM 0 HG2 LYS A 6 58.966 -7.957 -10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 6 57.408 -8.302 -9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 6 56.631 -6.084 -10.818 1.00 0.00 H new ATOM 0 HD3 LYS A 6 58.061 -6.340 -11.798 1.00 0.00 H new ATOM 0 HE2 LYS A 6 55.613 -8.111 -11.526 1.00 0.00 H new ATOM 0 HE3 LYS A 6 56.394 -7.544 -12.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 57.091 -9.736 -12.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 58.400 -8.913 -12.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 57.261 -9.694 -11.150 1.00 0.00 H new ATOM 114 N THR A 7 61.109 -8.348 -8.266 1.00 0.00 N ATOM 115 CA THR A 7 62.510 -8.536 -8.628 1.00 0.00 C ATOM 116 C THR A 7 62.646 -8.818 -10.120 1.00 0.00 C ATOM 117 O THR A 7 61.735 -9.363 -10.745 1.00 0.00 O ATOM 118 CB THR A 7 63.099 -9.703 -7.833 1.00 0.00 C ATOM 119 OG1 THR A 7 62.419 -10.900 -8.183 1.00 0.00 O ATOM 120 CG2 THR A 7 62.933 -9.440 -6.334 1.00 0.00 C ATOM 0 H THR A 7 60.589 -9.214 -8.122 1.00 0.00 H new ATOM 0 HA THR A 7 63.053 -7.621 -8.392 1.00 0.00 H new ATOM 0 HB THR A 7 64.159 -9.803 -8.065 1.00 0.00 H new ATOM 0 HG1 THR A 7 61.627 -11.004 -7.615 1.00 0.00 H new ATOM 0 HG21 THR A 7 63.353 -10.273 -5.770 1.00 0.00 H new ATOM 0 HG22 THR A 7 63.454 -8.521 -6.066 1.00 0.00 H new ATOM 0 HG23 THR A 7 61.874 -9.339 -6.097 1.00 0.00 H new ATOM 128 N LEU A 8 63.790 -8.445 -10.685 1.00 0.00 N ATOM 129 CA LEU A 8 64.038 -8.664 -12.106 1.00 0.00 C ATOM 130 C LEU A 8 64.247 -10.149 -12.388 1.00 0.00 C ATOM 131 O LEU A 8 64.279 -10.572 -13.545 1.00 0.00 O ATOM 132 CB LEU A 8 65.277 -7.880 -12.554 1.00 0.00 C ATOM 133 CG LEU A 8 66.434 -8.122 -11.569 1.00 0.00 C ATOM 134 CD1 LEU A 8 67.744 -8.300 -12.341 1.00 0.00 C ATOM 135 CD2 LEU A 8 66.569 -6.922 -10.624 1.00 0.00 C ATOM 0 H LEU A 8 64.555 -7.993 -10.185 1.00 0.00 H new ATOM 0 HA LEU A 8 63.169 -8.314 -12.663 1.00 0.00 H new ATOM 0 HB2 LEU A 8 65.571 -8.189 -13.557 1.00 0.00 H new ATOM 0 HB3 LEU A 8 65.047 -6.816 -12.603 1.00 0.00 H new ATOM 0 HG LEU A 8 66.224 -9.022 -10.992 1.00 0.00 H new ATOM 0 HD11 LEU A 8 68.560 -8.471 -11.639 1.00 0.00 H new ATOM 0 HD12 LEU A 8 67.658 -9.155 -13.012 1.00 0.00 H new ATOM 0 HD13 LEU A 8 67.948 -7.401 -12.923 1.00 0.00 H new ATOM 0 HD21 LEU A 8 67.389 -7.097 -9.928 1.00 0.00 H new ATOM 0 HD22 LEU A 8 66.772 -6.022 -11.205 1.00 0.00 H new ATOM 0 HD23 LEU A 8 65.642 -6.792 -10.066 1.00 0.00 H new ATOM 147 N THR A 9 64.393 -10.934 -11.325 1.00 0.00 N ATOM 148 CA THR A 9 64.603 -12.372 -11.466 1.00 0.00 C ATOM 149 C THR A 9 63.269 -13.116 -11.426 1.00 0.00 C ATOM 150 O THR A 9 63.230 -14.345 -11.486 1.00 0.00 O ATOM 151 CB THR A 9 65.518 -12.874 -10.336 1.00 0.00 C ATOM 152 OG1 THR A 9 66.109 -11.760 -9.682 1.00 0.00 O ATOM 153 CG2 THR A 9 66.620 -13.768 -10.911 1.00 0.00 C ATOM 0 H THR A 9 64.370 -10.601 -10.361 1.00 0.00 H new ATOM 0 HA THR A 9 65.077 -12.565 -12.429 1.00 0.00 H new ATOM 0 HB THR A 9 64.926 -13.450 -9.625 1.00 0.00 H new ATOM 0 HG1 THR A 9 66.692 -12.076 -8.960 1.00 0.00 H new ATOM 0 HG21 THR A 9 67.263 -14.118 -10.103 1.00 0.00 H new ATOM 0 HG22 THR A 9 66.169 -14.624 -11.413 1.00 0.00 H new ATOM 0 HG23 THR A 9 67.214 -13.199 -11.626 1.00 0.00 H new ATOM 161 N GLY A 10 62.178 -12.365 -11.326 1.00 0.00 N ATOM 162 CA GLY A 10 60.851 -12.967 -11.280 1.00 0.00 C ATOM 163 C GLY A 10 60.605 -13.639 -9.932 1.00 0.00 C ATOM 164 O GLY A 10 59.675 -14.432 -9.783 1.00 0.00 O ATOM 0 H GLY A 10 62.185 -11.346 -11.276 1.00 0.00 H new ATOM 0 HA2 GLY A 10 60.094 -12.202 -11.453 1.00 0.00 H new ATOM 0 HA3 GLY A 10 60.752 -13.701 -12.080 1.00 0.00 H new ATOM 168 N LYS A 11 61.446 -13.315 -8.953 1.00 0.00 N ATOM 169 CA LYS A 11 61.317 -13.888 -7.616 1.00 0.00 C ATOM 170 C LYS A 11 60.483 -12.974 -6.723 1.00 0.00 C ATOM 171 O LYS A 11 60.763 -11.782 -6.608 1.00 0.00 O ATOM 172 CB LYS A 11 62.704 -14.082 -6.996 1.00 0.00 C ATOM 173 CG LYS A 11 62.589 -14.944 -5.735 1.00 0.00 C ATOM 174 CD LYS A 11 63.846 -14.774 -4.878 1.00 0.00 C ATOM 175 CE LYS A 11 63.933 -15.915 -3.861 1.00 0.00 C ATOM 176 NZ LYS A 11 62.586 -16.171 -3.277 1.00 0.00 N ATOM 0 H LYS A 11 62.221 -12.661 -9.060 1.00 0.00 H new ATOM 0 HA LYS A 11 60.818 -14.853 -7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 11 63.371 -14.559 -7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 11 63.141 -13.115 -6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 11 61.706 -14.655 -5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 11 62.463 -15.991 -6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 11 64.733 -14.770 -5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 11 63.819 -13.814 -4.362 1.00 0.00 H new ATOM 0 HE2 LYS A 11 64.308 -16.817 -4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 11 64.639 -15.658 -3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 62.690 -16.666 -2.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 62.096 -15.266 -3.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 62.030 -16.759 -3.930 1.00 0.00 H new ATOM 190 N THR A 12 59.456 -13.540 -6.096 1.00 0.00 N ATOM 191 CA THR A 12 58.588 -12.762 -5.217 1.00 0.00 C ATOM 192 C THR A 12 59.162 -12.714 -3.804 1.00 0.00 C ATOM 193 O THR A 12 59.273 -13.739 -3.131 1.00 0.00 O ATOM 194 CB THR A 12 57.186 -13.377 -5.182 1.00 0.00 C ATOM 195 OG1 THR A 12 56.556 -13.178 -6.439 1.00 0.00 O ATOM 196 CG2 THR A 12 56.356 -12.708 -4.084 1.00 0.00 C ATOM 0 H THR A 12 59.206 -14.525 -6.179 1.00 0.00 H new ATOM 0 HA THR A 12 58.526 -11.746 -5.607 1.00 0.00 H new ATOM 0 HB THR A 12 57.263 -14.444 -4.974 1.00 0.00 H new ATOM 0 HG1 THR A 12 55.659 -13.572 -6.421 1.00 0.00 H new ATOM 0 HG21 THR A 12 55.359 -13.148 -4.062 1.00 0.00 H new ATOM 0 HG22 THR A 12 56.840 -12.858 -3.119 1.00 0.00 H new ATOM 0 HG23 THR A 12 56.277 -11.640 -4.288 1.00 0.00 H new ATOM 204 N ILE A 13 59.519 -11.511 -3.366 1.00 0.00 N ATOM 205 CA ILE A 13 60.079 -11.315 -2.033 1.00 0.00 C ATOM 206 C ILE A 13 59.103 -10.519 -1.171 1.00 0.00 C ATOM 207 O ILE A 13 58.765 -9.380 -1.494 1.00 0.00 O ATOM 208 CB ILE A 13 61.411 -10.572 -2.146 1.00 0.00 C ATOM 209 CG1 ILE A 13 62.130 -10.593 -0.794 1.00 0.00 C ATOM 210 CG2 ILE A 13 61.162 -9.121 -2.570 1.00 0.00 C ATOM 211 CD1 ILE A 13 63.547 -10.029 -0.951 1.00 0.00 C ATOM 0 H ILE A 13 59.430 -10.656 -3.915 1.00 0.00 H new ATOM 0 HA ILE A 13 60.248 -12.284 -1.564 1.00 0.00 H new ATOM 0 HB ILE A 13 62.032 -11.065 -2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 13 61.573 -10.003 -0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 13 62.175 -11.613 -0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 13 62.114 -8.596 -2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 13 60.658 -9.106 -3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 13 60.536 -8.627 -1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 13 64.054 -10.046 0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 13 64.104 -10.637 -1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 13 63.492 -9.003 -1.314 1.00 0.00 H new ATOM 223 N THR A 14 58.639 -11.133 -0.086 1.00 0.00 N ATOM 224 CA THR A 14 57.680 -10.481 0.804 1.00 0.00 C ATOM 225 C THR A 14 58.337 -10.061 2.118 1.00 0.00 C ATOM 226 O THR A 14 59.122 -10.808 2.700 1.00 0.00 O ATOM 227 CB THR A 14 56.521 -11.442 1.100 1.00 0.00 C ATOM 228 OG1 THR A 14 56.323 -12.299 -0.016 1.00 0.00 O ATOM 229 CG2 THR A 14 55.243 -10.646 1.367 1.00 0.00 C ATOM 0 H THR A 14 58.909 -12.075 0.198 1.00 0.00 H new ATOM 0 HA THR A 14 57.309 -9.586 0.305 1.00 0.00 H new ATOM 0 HB THR A 14 56.762 -12.038 1.980 1.00 0.00 H new ATOM 0 HG1 THR A 14 55.584 -12.915 0.172 1.00 0.00 H new ATOM 0 HG21 THR A 14 54.423 -11.333 1.577 1.00 0.00 H new ATOM 0 HG22 THR A 14 55.395 -9.990 2.224 1.00 0.00 H new ATOM 0 HG23 THR A 14 54.998 -10.046 0.491 1.00 0.00 H new ATOM 237 N LEU A 15 57.987 -8.864 2.586 1.00 0.00 N ATOM 238 CA LEU A 15 58.519 -8.346 3.845 1.00 0.00 C ATOM 239 C LEU A 15 57.389 -8.182 4.836 1.00 0.00 C ATOM 240 O LEU A 15 56.275 -7.816 4.459 1.00 0.00 O ATOM 241 CB LEU A 15 59.215 -6.989 3.628 1.00 0.00 C ATOM 242 CG LEU A 15 59.115 -6.574 2.157 1.00 0.00 C ATOM 243 CD1 LEU A 15 59.565 -5.116 2.010 1.00 0.00 C ATOM 244 CD2 LEU A 15 60.011 -7.487 1.302 1.00 0.00 C ATOM 0 H LEU A 15 57.338 -8.235 2.113 1.00 0.00 H new ATOM 0 HA LEU A 15 59.253 -9.053 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 15 58.754 -6.230 4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 15 60.262 -7.057 3.924 1.00 0.00 H new ATOM 0 HG LEU A 15 58.083 -6.669 1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 15 59.495 -4.817 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 15 58.923 -4.475 2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 15 60.597 -5.018 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 15 59.939 -7.191 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 15 61.045 -7.397 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 15 59.684 -8.521 1.410 1.00 0.00 H new ATOM 256 N GLU A 16 57.676 -8.420 6.106 1.00 0.00 N ATOM 257 CA GLU A 16 56.654 -8.249 7.116 1.00 0.00 C ATOM 258 C GLU A 16 56.834 -6.871 7.703 1.00 0.00 C ATOM 259 O GLU A 16 57.822 -6.589 8.381 1.00 0.00 O ATOM 260 CB GLU A 16 56.798 -9.315 8.210 1.00 0.00 C ATOM 261 CG GLU A 16 58.255 -9.368 8.708 1.00 0.00 C ATOM 262 CD GLU A 16 58.321 -9.017 10.192 1.00 0.00 C ATOM 263 OE1 GLU A 16 57.915 -7.921 10.541 1.00 0.00 O ATOM 264 OE2 GLU A 16 58.777 -9.850 10.957 1.00 0.00 O ATOM 0 H GLU A 16 58.586 -8.725 6.453 1.00 0.00 H new ATOM 0 HA GLU A 16 55.661 -8.357 6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 16 56.130 -9.088 9.040 1.00 0.00 H new ATOM 0 HB3 GLU A 16 56.503 -10.289 7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 16 58.666 -10.364 8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 16 58.868 -8.672 8.135 1.00 0.00 H new ATOM 271 N VAL A 17 55.891 -5.997 7.399 1.00 0.00 N ATOM 272 CA VAL A 17 55.978 -4.630 7.860 1.00 0.00 C ATOM 273 C VAL A 17 54.612 -4.019 8.077 1.00 0.00 C ATOM 274 O VAL A 17 53.587 -4.567 7.673 1.00 0.00 O ATOM 275 CB VAL A 17 56.710 -3.800 6.812 1.00 0.00 C ATOM 276 CG1 VAL A 17 55.912 -3.820 5.506 1.00 0.00 C ATOM 277 CG2 VAL A 17 56.844 -2.356 7.296 1.00 0.00 C ATOM 0 H VAL A 17 55.065 -6.210 6.840 1.00 0.00 H new ATOM 0 HA VAL A 17 56.511 -4.633 8.811 1.00 0.00 H new ATOM 0 HB VAL A 17 57.702 -4.220 6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 17 56.432 -3.227 4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 17 55.814 -4.847 5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 17 54.921 -3.399 5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 17 57.368 -1.767 6.543 1.00 0.00 H new ATOM 0 HG22 VAL A 17 55.853 -1.934 7.461 1.00 0.00 H new ATOM 0 HG23 VAL A 17 57.407 -2.336 8.229 1.00 0.00 H new ATOM 287 N GLU A 18 54.634 -2.834 8.667 1.00 0.00 N ATOM 288 CA GLU A 18 53.435 -2.054 8.901 1.00 0.00 C ATOM 289 C GLU A 18 53.318 -1.070 7.740 1.00 0.00 C ATOM 290 O GLU A 18 54.230 -0.977 6.925 1.00 0.00 O ATOM 291 CB GLU A 18 53.565 -1.302 10.233 1.00 0.00 C ATOM 292 CG GLU A 18 55.042 -1.268 10.644 1.00 0.00 C ATOM 293 CD GLU A 18 55.255 -0.295 11.795 1.00 0.00 C ATOM 294 OE1 GLU A 18 54.361 0.496 12.048 1.00 0.00 O ATOM 295 OE2 GLU A 18 56.308 -0.354 12.408 1.00 0.00 O ATOM 0 H GLU A 18 55.489 -2.387 8.997 1.00 0.00 H new ATOM 0 HA GLU A 18 52.549 -2.686 8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 18 53.179 -0.288 10.132 1.00 0.00 H new ATOM 0 HB3 GLU A 18 52.971 -1.794 11.003 1.00 0.00 H new ATOM 0 HG2 GLU A 18 55.366 -2.266 10.939 1.00 0.00 H new ATOM 0 HG3 GLU A 18 55.655 -0.973 9.793 1.00 0.00 H new ATOM 302 N PRO A 19 52.256 -0.340 7.611 1.00 0.00 N ATOM 303 CA PRO A 19 52.113 0.607 6.508 1.00 0.00 C ATOM 304 C PRO A 19 52.960 1.835 6.734 1.00 0.00 C ATOM 305 O PRO A 19 53.086 2.663 5.835 1.00 0.00 O ATOM 306 CB PRO A 19 50.620 0.924 6.443 1.00 0.00 C ATOM 307 CG PRO A 19 49.982 0.109 7.521 1.00 0.00 C ATOM 308 CD PRO A 19 51.092 -0.288 8.472 1.00 0.00 C ATOM 0 HA PRO A 19 52.462 0.197 5.560 1.00 0.00 H new ATOM 0 HB2 PRO A 19 50.439 1.988 6.598 1.00 0.00 H new ATOM 0 HB3 PRO A 19 50.209 0.670 5.466 1.00 0.00 H new ATOM 0 HG2 PRO A 19 49.214 0.684 8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 19 49.494 -0.772 7.104 1.00 0.00 H new ATOM 0 HD2 PRO A 19 51.216 0.440 9.274 1.00 0.00 H new ATOM 0 HD3 PRO A 19 50.895 -1.251 8.943 1.00 0.00 H new ATOM 316 N SER A 20 53.570 1.977 7.923 1.00 0.00 N ATOM 317 CA SER A 20 54.385 3.154 8.097 1.00 0.00 C ATOM 318 C SER A 20 55.672 2.871 7.375 1.00 0.00 C ATOM 319 O SER A 20 56.246 3.761 6.759 1.00 0.00 O ATOM 320 CB SER A 20 54.663 3.415 9.580 1.00 0.00 C ATOM 321 OG SER A 20 53.530 3.019 10.343 1.00 0.00 O ATOM 0 H SER A 20 53.514 1.336 8.714 1.00 0.00 H new ATOM 0 HA SER A 20 53.883 4.039 7.707 1.00 0.00 H new ATOM 0 HB2 SER A 20 55.545 2.860 9.901 1.00 0.00 H new ATOM 0 HB3 SER A 20 54.875 4.472 9.742 1.00 0.00 H new ATOM 0 HG SER A 20 53.758 2.234 10.883 1.00 0.00 H new ATOM 327 N ASP A 21 56.009 1.584 7.275 1.00 0.00 N ATOM 328 CA ASP A 21 57.092 1.198 6.404 1.00 0.00 C ATOM 329 C ASP A 21 58.167 2.250 6.349 1.00 0.00 C ATOM 330 O ASP A 21 58.265 2.913 5.317 1.00 0.00 O ATOM 331 CB ASP A 21 56.597 0.862 5.008 1.00 0.00 C ATOM 332 CG ASP A 21 56.498 -0.647 4.830 1.00 0.00 C ATOM 333 OD1 ASP A 21 57.522 -1.269 4.604 1.00 0.00 O ATOM 334 OD2 ASP A 21 55.396 -1.155 4.919 1.00 0.00 O ATOM 0 H ASP A 21 55.556 0.819 7.775 1.00 0.00 H new ATOM 0 HA ASP A 21 57.531 0.296 6.830 1.00 0.00 H new ATOM 0 HB2 ASP A 21 55.622 1.319 4.841 1.00 0.00 H new ATOM 0 HB3 ASP A 21 57.276 1.279 4.264 1.00 0.00 H new ATOM 339 N THR A 22 58.932 2.526 7.376 1.00 0.00 N ATOM 340 CA THR A 22 59.835 3.628 7.162 1.00 0.00 C ATOM 341 C THR A 22 60.975 3.063 6.367 1.00 0.00 C ATOM 342 O THR A 22 61.458 1.963 6.597 1.00 0.00 O ATOM 343 CB THR A 22 60.341 4.176 8.508 1.00 0.00 C ATOM 344 OG1 THR A 22 59.678 3.499 9.563 1.00 0.00 O ATOM 345 CG2 THR A 22 60.059 5.677 8.611 1.00 0.00 C ATOM 0 H THR A 22 58.955 2.058 8.282 1.00 0.00 H new ATOM 0 HA THR A 22 59.349 4.454 6.643 1.00 0.00 H new ATOM 0 HB THR A 22 61.417 4.015 8.578 1.00 0.00 H new ATOM 0 HG1 THR A 22 59.997 3.842 10.424 1.00 0.00 H new ATOM 0 HG21 THR A 22 60.422 6.051 9.568 1.00 0.00 H new ATOM 0 HG22 THR A 22 60.568 6.199 7.801 1.00 0.00 H new ATOM 0 HG23 THR A 22 58.986 5.851 8.537 1.00 0.00 H new ATOM 353 N ILE A 23 61.300 3.813 5.333 1.00 0.00 N ATOM 354 CA ILE A 23 62.275 3.390 4.363 1.00 0.00 C ATOM 355 C ILE A 23 63.586 3.055 5.030 1.00 0.00 C ATOM 356 O ILE A 23 64.186 2.028 4.723 1.00 0.00 O ATOM 357 CB ILE A 23 62.381 4.464 3.274 1.00 0.00 C ATOM 358 CG1 ILE A 23 61.044 5.254 3.279 1.00 0.00 C ATOM 359 CG2 ILE A 23 62.590 3.795 1.905 1.00 0.00 C ATOM 360 CD1 ILE A 23 60.950 6.202 2.079 1.00 0.00 C ATOM 0 H ILE A 23 60.894 4.730 5.147 1.00 0.00 H new ATOM 0 HA ILE A 23 61.963 2.465 3.877 1.00 0.00 H new ATOM 0 HB ILE A 23 63.224 5.129 3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 23 60.207 4.556 3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 23 60.961 5.825 4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 23 62.665 4.561 1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 23 63.508 3.208 1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 23 61.745 3.141 1.687 1.00 0.00 H new ATOM 0 HD11 ILE A 23 60.002 6.739 2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 23 61.773 6.916 2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 23 61.008 5.626 1.155 1.00 0.00 H new ATOM 372 N GLU A 24 63.995 3.839 6.007 1.00 0.00 N ATOM 373 CA GLU A 24 65.189 3.469 6.728 1.00 0.00 C ATOM 374 C GLU A 24 64.890 2.106 7.348 1.00 0.00 C ATOM 375 O GLU A 24 65.776 1.271 7.536 1.00 0.00 O ATOM 376 CB GLU A 24 65.528 4.493 7.817 1.00 0.00 C ATOM 377 CG GLU A 24 64.349 4.639 8.785 1.00 0.00 C ATOM 378 CD GLU A 24 64.731 5.567 9.935 1.00 0.00 C ATOM 379 OE1 GLU A 24 65.608 5.200 10.701 1.00 0.00 O ATOM 380 OE2 GLU A 24 64.141 6.631 10.034 1.00 0.00 O ATOM 0 H GLU A 24 63.539 4.700 6.309 1.00 0.00 H new ATOM 0 HA GLU A 24 66.053 3.435 6.064 1.00 0.00 H new ATOM 0 HB2 GLU A 24 66.418 4.177 8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.758 5.457 7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 24 63.482 5.037 8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 24 64.064 3.662 9.174 1.00 0.00 H new ATOM 387 N ASN A 25 63.596 1.903 7.643 1.00 0.00 N ATOM 388 CA ASN A 25 63.112 0.653 8.224 1.00 0.00 C ATOM 389 C ASN A 25 62.987 -0.453 7.177 1.00 0.00 C ATOM 390 O ASN A 25 63.371 -1.595 7.425 1.00 0.00 O ATOM 391 CB ASN A 25 61.751 0.875 8.894 1.00 0.00 C ATOM 392 CG ASN A 25 61.562 -0.136 10.020 1.00 0.00 C ATOM 393 OD1 ASN A 25 60.771 0.091 10.936 1.00 0.00 O ATOM 394 ND2 ASN A 25 62.244 -1.249 10.002 1.00 0.00 N ATOM 0 H ASN A 25 62.866 2.598 7.485 1.00 0.00 H new ATOM 0 HA ASN A 25 63.845 0.335 8.966 1.00 0.00 H new ATOM 0 HB2 ASN A 25 61.690 1.889 9.289 1.00 0.00 H new ATOM 0 HB3 ASN A 25 60.952 0.770 8.160 1.00 0.00 H new ATOM 0 HD21 ASN A 25 62.122 -1.934 10.748 1.00 0.00 H new ATOM 0 HD22 ASN A 25 62.898 -1.434 9.242 1.00 0.00 H new ATOM 401 N VAL A 26 62.426 -0.118 6.017 1.00 0.00 N ATOM 402 CA VAL A 26 62.237 -1.109 4.965 1.00 0.00 C ATOM 403 C VAL A 26 63.564 -1.488 4.316 1.00 0.00 C ATOM 404 O VAL A 26 63.761 -2.637 3.935 1.00 0.00 O ATOM 405 CB VAL A 26 61.282 -0.584 3.889 1.00 0.00 C ATOM 406 CG1 VAL A 26 60.844 -1.747 2.993 1.00 0.00 C ATOM 407 CG2 VAL A 26 60.048 0.043 4.544 1.00 0.00 C ATOM 0 H VAL A 26 62.099 0.820 5.785 1.00 0.00 H new ATOM 0 HA VAL A 26 61.806 -1.996 5.430 1.00 0.00 H new ATOM 0 HB VAL A 26 61.793 0.172 3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 26 60.164 -1.379 2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 26 61.720 -2.191 2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 26 60.337 -2.500 3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 26 59.375 0.414 3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 26 59.534 -0.708 5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 26 60.356 0.870 5.184 1.00 0.00 H new ATOM 417 N LYS A 27 64.469 -0.521 4.181 1.00 0.00 N ATOM 418 CA LYS A 27 65.756 -0.795 3.548 1.00 0.00 C ATOM 419 C LYS A 27 66.458 -1.960 4.232 1.00 0.00 C ATOM 420 O LYS A 27 66.870 -2.914 3.573 1.00 0.00 O ATOM 421 CB LYS A 27 66.657 0.452 3.599 1.00 0.00 C ATOM 422 CG LYS A 27 67.398 0.641 2.264 1.00 0.00 C ATOM 423 CD LYS A 27 66.675 1.661 1.381 1.00 0.00 C ATOM 424 CE LYS A 27 65.177 1.377 1.318 1.00 0.00 C ATOM 425 NZ LYS A 27 64.541 2.322 0.358 1.00 0.00 N ATOM 0 H LYS A 27 64.339 0.441 4.495 1.00 0.00 H new ATOM 0 HA LYS A 27 65.568 -1.059 2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 27 66.054 1.334 3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 27 67.378 0.353 4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.418 0.975 2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 27 67.467 -0.314 1.743 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.841 2.665 1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 27 67.095 1.637 0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 27 65.002 0.348 1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 27 64.731 1.489 2.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 63.509 2.191 0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 64.770 3.299 0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 64.899 2.137 -0.601 1.00 0.00 H new ATOM 439 N ALA A 28 66.587 -1.891 5.549 1.00 0.00 N ATOM 440 CA ALA A 28 67.237 -2.969 6.277 1.00 0.00 C ATOM 441 C ALA A 28 66.483 -4.272 6.044 1.00 0.00 C ATOM 442 O ALA A 28 67.087 -5.337 5.918 1.00 0.00 O ATOM 443 CB ALA A 28 67.285 -2.648 7.770 1.00 0.00 C ATOM 0 H ALA A 28 66.258 -1.116 6.125 1.00 0.00 H new ATOM 0 HA ALA A 28 68.259 -3.077 5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 28 67.774 -3.464 8.302 1.00 0.00 H new ATOM 0 HB2 ALA A 28 67.845 -1.726 7.926 1.00 0.00 H new ATOM 0 HB3 ALA A 28 66.270 -2.525 8.149 1.00 0.00 H new ATOM 449 N LYS A 29 65.159 -4.177 5.961 1.00 0.00 N ATOM 450 CA LYS A 29 64.338 -5.354 5.713 1.00 0.00 C ATOM 451 C LYS A 29 64.655 -5.912 4.328 1.00 0.00 C ATOM 452 O LYS A 29 64.659 -7.126 4.124 1.00 0.00 O ATOM 453 CB LYS A 29 62.839 -5.014 5.805 1.00 0.00 C ATOM 454 CG LYS A 29 62.456 -4.730 7.263 1.00 0.00 C ATOM 455 CD LYS A 29 60.953 -4.423 7.348 1.00 0.00 C ATOM 456 CE LYS A 29 60.635 -3.686 8.660 1.00 0.00 C ATOM 457 NZ LYS A 29 60.433 -2.239 8.374 1.00 0.00 N ATOM 0 H LYS A 29 64.638 -3.306 6.061 1.00 0.00 H new ATOM 0 HA LYS A 29 64.565 -6.100 6.475 1.00 0.00 H new ATOM 0 HB2 LYS A 29 62.616 -4.145 5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 29 62.245 -5.842 5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 29 62.698 -5.590 7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 29 63.032 -3.887 7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 29 60.650 -3.813 6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 29 60.382 -5.350 7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 29 59.740 -4.106 9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 29 61.450 -3.818 9.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 60.070 -1.764 9.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 61.339 -1.810 8.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 59.748 -2.131 7.599 1.00 0.00 H new ATOM 471 N ILE A 30 64.912 -5.014 3.372 1.00 0.00 N ATOM 472 CA ILE A 30 65.215 -5.434 2.005 1.00 0.00 C ATOM 473 C ILE A 30 66.510 -6.252 1.939 1.00 0.00 C ATOM 474 O ILE A 30 66.560 -7.286 1.274 1.00 0.00 O ATOM 475 CB ILE A 30 65.341 -4.217 1.077 1.00 0.00 C ATOM 476 CG1 ILE A 30 64.043 -3.386 1.074 1.00 0.00 C ATOM 477 CG2 ILE A 30 65.634 -4.699 -0.345 1.00 0.00 C ATOM 478 CD1 ILE A 30 62.814 -4.296 1.007 1.00 0.00 C ATOM 0 H ILE A 30 64.916 -4.005 3.518 1.00 0.00 H new ATOM 0 HA ILE A 30 64.388 -6.062 1.674 1.00 0.00 H new ATOM 0 HB ILE A 30 66.153 -3.587 1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 30 63.997 -2.772 1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 30 64.044 -2.705 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 30 65.725 -3.839 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 30 66.566 -5.264 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 30 64.820 -5.338 -0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 30 61.910 -3.687 1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 30 62.851 -4.891 0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 30 62.804 -4.959 1.872 1.00 0.00 H new ATOM 490 N GLN A 31 67.556 -5.782 2.610 1.00 0.00 N ATOM 491 CA GLN A 31 68.841 -6.483 2.592 1.00 0.00 C ATOM 492 C GLN A 31 68.783 -7.806 3.366 1.00 0.00 C ATOM 493 O GLN A 31 69.476 -8.763 3.022 1.00 0.00 O ATOM 494 CB GLN A 31 69.955 -5.560 3.137 1.00 0.00 C ATOM 495 CG GLN A 31 70.392 -5.973 4.545 1.00 0.00 C ATOM 496 CD GLN A 31 71.313 -7.188 4.478 1.00 0.00 C ATOM 497 OE1 GLN A 31 71.540 -7.736 3.400 1.00 0.00 O ATOM 498 NE2 GLN A 31 71.865 -7.638 5.571 1.00 0.00 N ATOM 0 H GLN A 31 67.544 -4.928 3.168 1.00 0.00 H new ATOM 0 HA GLN A 31 69.073 -6.737 1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 31 70.813 -5.590 2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 31 69.599 -4.530 3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 31 70.907 -5.144 5.031 1.00 0.00 H new ATOM 0 HG3 GLN A 31 69.517 -6.205 5.152 1.00 0.00 H new ATOM 0 HE21 GLN A 31 71.675 -7.182 6.463 1.00 0.00 H new ATOM 0 HE22 GLN A 31 72.486 -8.446 5.533 1.00 0.00 H new ATOM 507 N ASP A 32 67.981 -7.846 4.427 1.00 0.00 N ATOM 508 CA ASP A 32 67.879 -9.049 5.259 1.00 0.00 C ATOM 509 C ASP A 32 67.406 -10.276 4.469 1.00 0.00 C ATOM 510 O ASP A 32 67.959 -11.364 4.629 1.00 0.00 O ATOM 511 CB ASP A 32 66.913 -8.796 6.419 1.00 0.00 C ATOM 512 CG ASP A 32 67.559 -7.870 7.443 1.00 0.00 C ATOM 513 OD1 ASP A 32 68.649 -8.185 7.893 1.00 0.00 O ATOM 514 OD2 ASP A 32 66.953 -6.862 7.766 1.00 0.00 O ATOM 0 H ASP A 32 67.396 -7.068 4.732 1.00 0.00 H new ATOM 0 HA ASP A 32 68.880 -9.263 5.633 1.00 0.00 H new ATOM 0 HB2 ASP A 32 65.991 -8.351 6.045 1.00 0.00 H new ATOM 0 HB3 ASP A 32 66.643 -9.741 6.890 1.00 0.00 H new ATOM 519 N LYS A 33 66.383 -10.114 3.635 1.00 0.00 N ATOM 520 CA LYS A 33 65.866 -11.246 2.861 1.00 0.00 C ATOM 521 C LYS A 33 66.879 -11.690 1.809 1.00 0.00 C ATOM 522 O LYS A 33 67.281 -12.852 1.768 1.00 0.00 O ATOM 523 CB LYS A 33 64.554 -10.854 2.178 1.00 0.00 C ATOM 524 CG LYS A 33 63.531 -10.390 3.235 1.00 0.00 C ATOM 525 CD LYS A 33 62.260 -11.247 3.157 1.00 0.00 C ATOM 526 CE LYS A 33 62.519 -12.611 3.800 1.00 0.00 C ATOM 527 NZ LYS A 33 61.237 -13.364 3.903 1.00 0.00 N ATOM 0 H LYS A 33 65.901 -9.229 3.477 1.00 0.00 H new ATOM 0 HA LYS A 33 65.687 -12.076 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 33 64.733 -10.056 1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 33 64.156 -11.702 1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 33 63.968 -10.464 4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 33 63.281 -9.341 3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 33 61.438 -10.744 3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 33 61.959 -11.375 2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 33 63.237 -13.175 3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 33 62.957 -12.481 4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 61.413 -14.291 4.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 60.565 -12.827 4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 60.837 -13.500 2.953 1.00 0.00 H new ATOM 541 N GLU A 34 67.304 -10.746 0.983 1.00 0.00 N ATOM 542 CA GLU A 34 68.295 -11.018 -0.054 1.00 0.00 C ATOM 543 C GLU A 34 69.454 -10.058 0.148 1.00 0.00 C ATOM 544 O GLU A 34 69.257 -8.967 0.682 1.00 0.00 O ATOM 545 CB GLU A 34 67.684 -10.823 -1.446 1.00 0.00 C ATOM 546 CG GLU A 34 66.888 -12.071 -1.841 1.00 0.00 C ATOM 547 CD GLU A 34 67.830 -13.148 -2.369 1.00 0.00 C ATOM 548 OE1 GLU A 34 68.283 -13.012 -3.493 1.00 0.00 O ATOM 549 OE2 GLU A 34 68.085 -14.093 -1.641 1.00 0.00 O ATOM 0 H GLU A 34 66.978 -9.780 1.009 1.00 0.00 H new ATOM 0 HA GLU A 34 68.638 -12.050 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 34 67.033 -9.949 -1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 34 68.471 -10.636 -2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 34 66.338 -12.449 -0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 34 66.151 -11.816 -2.603 1.00 0.00 H new ATOM 556 N GLY A 35 70.664 -10.441 -0.242 1.00 0.00 N ATOM 557 CA GLY A 35 71.777 -9.535 -0.023 1.00 0.00 C ATOM 558 C GLY A 35 71.799 -8.442 -1.060 1.00 0.00 C ATOM 559 O GLY A 35 72.136 -8.650 -2.224 1.00 0.00 O ATOM 0 H GLY A 35 70.891 -11.329 -0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 35 71.702 -9.095 0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 35 72.714 -10.091 -0.056 1.00 0.00 H new ATOM 563 N ILE A 36 71.511 -7.261 -0.574 1.00 0.00 N ATOM 564 CA ILE A 36 71.554 -6.060 -1.361 1.00 0.00 C ATOM 565 C ILE A 36 71.805 -4.949 -0.368 1.00 0.00 C ATOM 566 O ILE A 36 70.988 -4.725 0.521 1.00 0.00 O ATOM 567 CB ILE A 36 70.233 -5.841 -2.112 1.00 0.00 C ATOM 568 CG1 ILE A 36 70.152 -4.391 -2.612 1.00 0.00 C ATOM 569 CG2 ILE A 36 69.049 -6.126 -1.185 1.00 0.00 C ATOM 570 CD1 ILE A 36 69.215 -4.311 -3.821 1.00 0.00 C ATOM 0 H ILE A 36 71.236 -7.107 0.396 1.00 0.00 H new ATOM 0 HA ILE A 36 72.329 -6.105 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 36 70.195 -6.521 -2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 36 69.789 -3.742 -1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 36 71.145 -4.035 -2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 36 68.116 -5.968 -1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 36 69.098 -7.159 -0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.089 -5.455 -0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 36 69.161 -3.280 -4.172 1.00 0.00 H new ATOM 0 HD12 ILE A 36 69.597 -4.947 -4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 36 68.220 -4.649 -3.533 1.00 0.00 H new ATOM 582 N PRO A 37 72.891 -4.262 -0.458 1.00 0.00 N ATOM 583 CA PRO A 37 73.172 -3.195 0.515 1.00 0.00 C ATOM 584 C PRO A 37 72.075 -2.124 0.494 1.00 0.00 C ATOM 585 O PRO A 37 71.710 -1.626 -0.571 1.00 0.00 O ATOM 586 CB PRO A 37 74.536 -2.639 0.109 1.00 0.00 C ATOM 587 CG PRO A 37 75.011 -3.405 -1.091 1.00 0.00 C ATOM 588 CD PRO A 37 73.942 -4.431 -1.461 1.00 0.00 C ATOM 0 HA PRO A 37 73.187 -3.563 1.541 1.00 0.00 H new ATOM 0 HB2 PRO A 37 74.461 -1.577 -0.123 1.00 0.00 H new ATOM 0 HB3 PRO A 37 75.247 -2.737 0.929 1.00 0.00 H new ATOM 0 HG2 PRO A 37 75.192 -2.728 -1.926 1.00 0.00 H new ATOM 0 HG3 PRO A 37 75.956 -3.903 -0.874 1.00 0.00 H new ATOM 0 HD2 PRO A 37 73.559 -4.257 -2.467 1.00 0.00 H new ATOM 0 HD3 PRO A 37 74.344 -5.444 -1.444 1.00 0.00 H new ATOM 596 N PRO A 38 71.541 -1.770 1.639 1.00 0.00 N ATOM 597 CA PRO A 38 70.462 -0.750 1.726 1.00 0.00 C ATOM 598 C PRO A 38 70.887 0.590 1.122 1.00 0.00 C ATOM 599 O PRO A 38 70.049 1.360 0.655 1.00 0.00 O ATOM 600 CB PRO A 38 70.153 -0.605 3.223 1.00 0.00 C ATOM 601 CG PRO A 38 71.054 -1.541 3.965 1.00 0.00 C ATOM 602 CD PRO A 38 71.910 -2.309 2.955 1.00 0.00 C ATOM 0 HA PRO A 38 69.586 -1.061 1.156 1.00 0.00 H new ATOM 0 HB2 PRO A 38 70.316 0.422 3.550 1.00 0.00 H new ATOM 0 HB3 PRO A 38 69.108 -0.841 3.423 1.00 0.00 H new ATOM 0 HG2 PRO A 38 71.691 -0.985 4.653 1.00 0.00 H new ATOM 0 HG3 PRO A 38 70.465 -2.235 4.565 1.00 0.00 H new ATOM 0 HD2 PRO A 38 72.972 -2.168 3.153 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.715 -3.380 3.009 1.00 0.00 H new ATOM 610 N ASP A 39 72.187 0.864 1.141 1.00 0.00 N ATOM 611 CA ASP A 39 72.697 2.118 0.597 1.00 0.00 C ATOM 612 C ASP A 39 72.458 2.199 -0.911 1.00 0.00 C ATOM 613 O ASP A 39 72.340 3.290 -1.468 1.00 0.00 O ATOM 614 CB ASP A 39 74.196 2.241 0.887 1.00 0.00 C ATOM 615 CG ASP A 39 74.503 1.694 2.277 1.00 0.00 C ATOM 616 OD1 ASP A 39 74.012 2.262 3.239 1.00 0.00 O ATOM 617 OD2 ASP A 39 75.226 0.714 2.360 1.00 0.00 O ATOM 0 H ASP A 39 72.900 0.243 1.523 1.00 0.00 H new ATOM 0 HA ASP A 39 72.163 2.939 1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 39 74.766 1.693 0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 39 74.503 3.285 0.821 1.00 0.00 H new ATOM 622 N GLN A 40 72.393 1.042 -1.566 1.00 0.00 N ATOM 623 CA GLN A 40 72.171 1.002 -3.011 1.00 0.00 C ATOM 624 C GLN A 40 70.761 0.521 -3.334 1.00 0.00 C ATOM 625 O GLN A 40 70.434 0.278 -4.494 1.00 0.00 O ATOM 626 CB GLN A 40 73.182 0.062 -3.672 1.00 0.00 C ATOM 627 CG GLN A 40 74.604 0.544 -3.381 1.00 0.00 C ATOM 628 CD GLN A 40 74.936 1.753 -4.247 1.00 0.00 C ATOM 629 OE1 GLN A 40 74.080 2.249 -4.978 1.00 0.00 O ATOM 630 NE2 GLN A 40 76.139 2.258 -4.208 1.00 0.00 N ATOM 0 H GLN A 40 72.490 0.127 -1.125 1.00 0.00 H new ATOM 0 HA GLN A 40 72.297 2.014 -3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 40 73.048 -0.953 -3.297 1.00 0.00 H new ATOM 0 HB3 GLN A 40 73.012 0.029 -4.748 1.00 0.00 H new ATOM 0 HG2 GLN A 40 74.699 0.805 -2.327 1.00 0.00 H new ATOM 0 HG3 GLN A 40 75.315 -0.259 -3.576 1.00 0.00 H new ATOM 0 HE21 GLN A 40 76.846 1.844 -3.601 1.00 0.00 H new ATOM 0 HE22 GLN A 40 76.372 3.066 -4.785 1.00 0.00 H new ATOM 639 N GLN A 41 69.930 0.376 -2.304 1.00 0.00 N ATOM 640 CA GLN A 41 68.560 -0.086 -2.510 1.00 0.00 C ATOM 641 C GLN A 41 67.620 1.091 -2.765 1.00 0.00 C ATOM 642 O GLN A 41 67.567 2.040 -1.984 1.00 0.00 O ATOM 643 CB GLN A 41 68.083 -0.870 -1.286 1.00 0.00 C ATOM 644 CG GLN A 41 66.632 -1.319 -1.492 1.00 0.00 C ATOM 645 CD GLN A 41 66.518 -2.164 -2.757 1.00 0.00 C ATOM 646 OE1 GLN A 41 66.854 -3.348 -2.744 1.00 0.00 O ATOM 647 NE2 GLN A 41 66.059 -1.626 -3.854 1.00 0.00 N ATOM 0 H GLN A 41 70.176 0.568 -1.333 1.00 0.00 H new ATOM 0 HA GLN A 41 68.548 -0.735 -3.385 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.723 -1.738 -1.126 1.00 0.00 H new ATOM 0 HB3 GLN A 41 68.158 -0.250 -0.393 1.00 0.00 H new ATOM 0 HG2 GLN A 41 66.296 -1.895 -0.630 1.00 0.00 H new ATOM 0 HG3 GLN A 41 65.981 -0.448 -1.568 1.00 0.00 H new ATOM 0 HE21 GLN A 41 65.781 -0.645 -3.863 1.00 0.00 H new ATOM 0 HE22 GLN A 41 65.978 -2.187 -4.702 1.00 0.00 H new ATOM 656 N ARG A 42 66.873 1.009 -3.866 1.00 0.00 N ATOM 657 CA ARG A 42 65.924 2.059 -4.232 1.00 0.00 C ATOM 658 C ARG A 42 64.547 1.452 -4.502 1.00 0.00 C ATOM 659 O ARG A 42 64.433 0.450 -5.210 1.00 0.00 O ATOM 660 CB ARG A 42 66.427 2.800 -5.473 1.00 0.00 C ATOM 661 CG ARG A 42 67.852 3.298 -5.215 1.00 0.00 C ATOM 662 CD ARG A 42 68.421 3.921 -6.492 1.00 0.00 C ATOM 663 NE ARG A 42 67.751 5.185 -6.779 1.00 0.00 N ATOM 664 CZ ARG A 42 67.425 5.527 -8.021 1.00 0.00 C ATOM 665 NH1 ARG A 42 66.533 4.834 -8.673 1.00 0.00 N ATOM 666 NH2 ARG A 42 67.998 6.551 -8.590 1.00 0.00 N ATOM 0 H ARG A 42 66.907 0.226 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 42 65.838 2.766 -3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 42 66.411 2.138 -6.339 1.00 0.00 H new ATOM 0 HB3 ARG A 42 65.771 3.640 -5.702 1.00 0.00 H new ATOM 0 HG2 ARG A 42 67.850 4.033 -4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 42 68.483 2.471 -4.890 1.00 0.00 H new ATOM 0 HD2 ARG A 42 69.492 4.087 -6.378 1.00 0.00 H new ATOM 0 HD3 ARG A 42 68.292 3.235 -7.329 1.00 0.00 H new ATOM 0 HE ARG A 42 67.528 5.819 -6.011 1.00 0.00 H new ATOM 0 HH11 ARG A 42 66.087 4.031 -8.229 1.00 0.00 H new ATOM 0 HH12 ARG A 42 66.281 5.095 -9.626 1.00 0.00 H new ATOM 0 HH21 ARG A 42 68.698 7.091 -8.082 1.00 0.00 H new ATOM 0 HH22 ARG A 42 67.746 6.812 -9.543 1.00 0.00 H new ATOM 680 N LEU A 43 63.505 2.056 -3.929 1.00 0.00 N ATOM 681 CA LEU A 43 62.139 1.554 -4.107 1.00 0.00 C ATOM 682 C LEU A 43 61.227 2.649 -4.668 1.00 0.00 C ATOM 683 O LEU A 43 61.448 3.836 -4.428 1.00 0.00 O ATOM 684 CB LEU A 43 61.569 1.071 -2.763 1.00 0.00 C ATOM 685 CG LEU A 43 62.683 0.487 -1.879 1.00 0.00 C ATOM 686 CD1 LEU A 43 62.131 0.247 -0.472 1.00 0.00 C ATOM 687 CD2 LEU A 43 63.177 -0.846 -2.459 1.00 0.00 C ATOM 0 H LEU A 43 63.578 2.887 -3.342 1.00 0.00 H new ATOM 0 HA LEU A 43 62.178 0.723 -4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 43 61.086 1.901 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 43 60.803 0.316 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 43 63.515 1.190 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 43 62.916 -0.167 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 43 61.786 1.191 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 43 61.298 -0.454 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 43 63.966 -1.249 -1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 43 62.349 -1.553 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 43 63.568 -0.683 -3.463 1.00 0.00 H new ATOM 699 N ILE A 44 60.194 2.238 -5.408 1.00 0.00 N ATOM 700 CA ILE A 44 59.244 3.190 -5.989 1.00 0.00 C ATOM 701 C ILE A 44 57.807 2.705 -5.791 1.00 0.00 C ATOM 702 O ILE A 44 57.522 1.514 -5.917 1.00 0.00 O ATOM 703 CB ILE A 44 59.522 3.372 -7.485 1.00 0.00 C ATOM 704 CG1 ILE A 44 60.943 3.911 -7.679 1.00 0.00 C ATOM 705 CG2 ILE A 44 58.516 4.367 -8.070 1.00 0.00 C ATOM 706 CD1 ILE A 44 61.297 3.908 -9.168 1.00 0.00 C ATOM 0 H ILE A 44 59.995 1.260 -5.618 1.00 0.00 H new ATOM 0 HA ILE A 44 59.368 4.147 -5.481 1.00 0.00 H new ATOM 0 HB ILE A 44 59.425 2.413 -7.993 1.00 0.00 H new ATOM 0 HG12 ILE A 44 61.016 4.923 -7.280 1.00 0.00 H new ATOM 0 HG13 ILE A 44 61.654 3.298 -7.125 1.00 0.00 H new ATOM 0 HG21 ILE A 44 58.711 4.499 -9.134 1.00 0.00 H new ATOM 0 HG22 ILE A 44 57.504 3.986 -7.931 1.00 0.00 H new ATOM 0 HG23 ILE A 44 58.615 5.326 -7.562 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.308 4.292 -9.302 1.00 0.00 H new ATOM 0 HD12 ILE A 44 61.241 2.890 -9.553 1.00 0.00 H new ATOM 0 HD13 ILE A 44 60.594 4.540 -9.710 1.00 0.00 H new ATOM 718 N PHE A 45 56.907 3.637 -5.477 1.00 0.00 N ATOM 719 CA PHE A 45 55.496 3.303 -5.257 1.00 0.00 C ATOM 720 C PHE A 45 54.603 4.084 -6.219 1.00 0.00 C ATOM 721 O PHE A 45 54.547 5.313 -6.169 1.00 0.00 O ATOM 722 CB PHE A 45 55.105 3.636 -3.811 1.00 0.00 C ATOM 723 CG PHE A 45 53.606 3.517 -3.640 1.00 0.00 C ATOM 724 CD1 PHE A 45 53.007 2.254 -3.541 1.00 0.00 C ATOM 725 CD2 PHE A 45 52.813 4.670 -3.579 1.00 0.00 C ATOM 726 CE1 PHE A 45 51.621 2.147 -3.380 1.00 0.00 C ATOM 727 CE2 PHE A 45 51.427 4.563 -3.417 1.00 0.00 C ATOM 728 CZ PHE A 45 50.830 3.301 -3.319 1.00 0.00 C ATOM 0 H PHE A 45 57.127 4.627 -5.369 1.00 0.00 H new ATOM 0 HA PHE A 45 55.359 2.237 -5.438 1.00 0.00 H new ATOM 0 HB2 PHE A 45 55.613 2.960 -3.123 1.00 0.00 H new ATOM 0 HB3 PHE A 45 55.429 4.646 -3.561 1.00 0.00 H new ATOM 0 HD1 PHE A 45 53.615 1.363 -3.589 1.00 0.00 H new ATOM 0 HD2 PHE A 45 53.272 5.644 -3.657 1.00 0.00 H new ATOM 0 HE1 PHE A 45 51.161 1.173 -3.303 1.00 0.00 H new ATOM 0 HE2 PHE A 45 50.818 5.454 -3.368 1.00 0.00 H new ATOM 0 HZ PHE A 45 49.760 3.217 -3.196 1.00 0.00 H new ATOM 738 N ALA A 46 53.906 3.363 -7.093 1.00 0.00 N ATOM 739 CA ALA A 46 53.018 4.001 -8.061 1.00 0.00 C ATOM 740 C ALA A 46 53.732 5.155 -8.757 1.00 0.00 C ATOM 741 O ALA A 46 53.115 6.164 -9.100 1.00 0.00 O ATOM 742 CB ALA A 46 51.765 4.526 -7.358 1.00 0.00 C ATOM 0 H ALA A 46 53.938 2.345 -7.151 1.00 0.00 H new ATOM 0 HA ALA A 46 52.730 3.259 -8.806 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.109 5.000 -8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.240 3.697 -6.883 1.00 0.00 H new ATOM 0 HB3 ALA A 46 52.051 5.256 -6.601 1.00 0.00 H new ATOM 748 N GLY A 47 55.036 5.001 -8.957 1.00 0.00 N ATOM 749 CA GLY A 47 55.831 6.036 -9.607 1.00 0.00 C ATOM 750 C GLY A 47 56.471 6.954 -8.571 1.00 0.00 C ATOM 751 O GLY A 47 57.452 7.638 -8.857 1.00 0.00 O ATOM 0 H GLY A 47 55.563 4.173 -8.680 1.00 0.00 H new ATOM 0 HA2 GLY A 47 56.606 5.575 -10.220 1.00 0.00 H new ATOM 0 HA3 GLY A 47 55.200 6.620 -10.277 1.00 0.00 H new ATOM 755 N LYS A 48 55.908 6.958 -7.365 1.00 0.00 N ATOM 756 CA LYS A 48 56.435 7.790 -6.289 1.00 0.00 C ATOM 757 C LYS A 48 57.676 7.148 -5.682 1.00 0.00 C ATOM 758 O LYS A 48 57.624 6.030 -5.174 1.00 0.00 O ATOM 759 CB LYS A 48 55.382 7.976 -5.199 1.00 0.00 C ATOM 760 CG LYS A 48 54.066 8.437 -5.824 1.00 0.00 C ATOM 761 CD LYS A 48 53.086 8.816 -4.712 1.00 0.00 C ATOM 762 CE LYS A 48 51.818 9.406 -5.329 1.00 0.00 C ATOM 763 NZ LYS A 48 52.154 10.673 -6.035 1.00 0.00 N ATOM 0 H LYS A 48 55.094 6.399 -7.111 1.00 0.00 H new ATOM 0 HA LYS A 48 56.699 8.761 -6.707 1.00 0.00 H new ATOM 0 HB2 LYS A 48 55.232 7.039 -4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 48 55.726 8.710 -4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 48 54.240 9.291 -6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 48 53.645 7.643 -6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 48 52.838 7.938 -4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 48 53.546 9.539 -4.038 1.00 0.00 H new ATOM 0 HE2 LYS A 48 51.375 8.695 -6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 48 51.077 9.595 -4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 51.310 11.278 -6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 52.907 11.170 -5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 52.480 10.457 -6.999 1.00 0.00 H new ATOM 777 N GLN A 49 58.789 7.863 -5.741 1.00 0.00 N ATOM 778 CA GLN A 49 60.041 7.355 -5.196 1.00 0.00 C ATOM 779 C GLN A 49 60.035 7.428 -3.674 1.00 0.00 C ATOM 780 O GLN A 49 59.857 8.501 -3.098 1.00 0.00 O ATOM 781 CB GLN A 49 61.212 8.180 -5.736 1.00 0.00 C ATOM 782 CG GLN A 49 61.132 8.260 -7.264 1.00 0.00 C ATOM 783 CD GLN A 49 61.849 9.513 -7.760 1.00 0.00 C ATOM 784 OE1 GLN A 49 62.650 9.443 -8.693 1.00 0.00 O ATOM 785 NE2 GLN A 49 61.611 10.659 -7.185 1.00 0.00 N ATOM 0 H GLN A 49 58.852 8.792 -6.158 1.00 0.00 H new ATOM 0 HA GLN A 49 60.150 6.314 -5.499 1.00 0.00 H new ATOM 0 HB2 GLN A 49 61.189 9.183 -5.309 1.00 0.00 H new ATOM 0 HB3 GLN A 49 62.157 7.727 -5.436 1.00 0.00 H new ATOM 0 HG2 GLN A 49 61.585 7.373 -7.707 1.00 0.00 H new ATOM 0 HG3 GLN A 49 60.089 8.278 -7.581 1.00 0.00 H new ATOM 0 HE21 GLN A 49 60.947 10.714 -6.413 1.00 0.00 H new ATOM 0 HE22 GLN A 49 62.089 11.500 -7.508 1.00 0.00 H new ATOM 794 N LEU A 50 60.248 6.288 -3.022 1.00 0.00 N ATOM 795 CA LEU A 50 60.281 6.262 -1.567 1.00 0.00 C ATOM 796 C LEU A 50 61.629 6.826 -1.101 1.00 0.00 C ATOM 797 O LEU A 50 62.675 6.535 -1.680 1.00 0.00 O ATOM 798 CB LEU A 50 60.018 4.835 -1.066 1.00 0.00 C ATOM 799 CG LEU A 50 58.543 4.468 -1.345 1.00 0.00 C ATOM 800 CD1 LEU A 50 58.282 3.008 -0.954 1.00 0.00 C ATOM 801 CD2 LEU A 50 57.611 5.393 -0.545 1.00 0.00 C ATOM 0 H LEU A 50 60.398 5.385 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 50 59.495 6.887 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 50 60.682 4.131 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 50 60.228 4.766 0.001 1.00 0.00 H new ATOM 0 HG LEU A 50 58.345 4.594 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 50 57.240 2.758 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 50 58.930 2.354 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 50 58.490 2.873 0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 50 56.573 5.127 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 50 57.813 5.280 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 50 57.785 6.428 -0.840 1.00 0.00 H new ATOM 813 N GLU A 51 61.560 7.730 -0.126 1.00 0.00 N ATOM 814 CA GLU A 51 62.737 8.470 0.354 1.00 0.00 C ATOM 815 C GLU A 51 63.581 7.810 1.460 1.00 0.00 C ATOM 816 O GLU A 51 63.436 6.646 1.819 1.00 0.00 O ATOM 817 CB GLU A 51 62.279 9.844 0.844 1.00 0.00 C ATOM 818 CG GLU A 51 61.159 10.360 -0.063 1.00 0.00 C ATOM 819 CD GLU A 51 60.858 11.819 0.259 1.00 0.00 C ATOM 820 OE1 GLU A 51 61.579 12.390 1.058 1.00 0.00 O ATOM 821 OE2 GLU A 51 59.908 12.344 -0.300 1.00 0.00 O ATOM 0 H GLU A 51 60.694 7.973 0.355 1.00 0.00 H new ATOM 0 HA GLU A 51 63.404 8.510 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 51 61.926 9.776 1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.116 10.542 0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 51 61.452 10.263 -1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 51 60.262 9.756 0.074 1.00 0.00 H new ATOM 828 N ASP A 52 64.489 8.649 1.949 1.00 0.00 N ATOM 829 CA ASP A 52 65.471 8.358 3.003 1.00 0.00 C ATOM 830 C ASP A 52 64.893 7.703 4.251 1.00 0.00 C ATOM 831 O ASP A 52 65.599 7.579 5.252 1.00 0.00 O ATOM 832 CB ASP A 52 66.174 9.648 3.413 1.00 0.00 C ATOM 833 CG ASP A 52 65.164 10.630 3.996 1.00 0.00 C ATOM 834 OD1 ASP A 52 64.070 10.200 4.323 1.00 0.00 O ATOM 835 OD2 ASP A 52 65.500 11.798 4.106 1.00 0.00 O ATOM 0 H ASP A 52 64.569 9.606 1.605 1.00 0.00 H new ATOM 0 HA ASP A 52 66.161 7.636 2.567 1.00 0.00 H new ATOM 0 HB2 ASP A 52 66.949 9.432 4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 52 66.669 10.092 2.549 1.00 0.00 H new ATOM 840 N GLY A 53 63.622 7.356 4.244 1.00 0.00 N ATOM 841 CA GLY A 53 63.006 6.806 5.447 1.00 0.00 C ATOM 842 C GLY A 53 61.902 7.698 5.973 1.00 0.00 C ATOM 843 O GLY A 53 61.722 7.859 7.181 1.00 0.00 O ATOM 0 H GLY A 53 63.001 7.440 3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 53 62.601 5.818 5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 53 63.766 6.676 6.217 1.00 0.00 H new ATOM 847 N ARG A 54 61.081 8.166 5.033 1.00 0.00 N ATOM 848 CA ARG A 54 59.893 8.917 5.384 1.00 0.00 C ATOM 849 C ARG A 54 58.897 7.833 5.721 1.00 0.00 C ATOM 850 O ARG A 54 59.102 6.694 5.302 1.00 0.00 O ATOM 851 CB ARG A 54 59.371 9.733 4.182 1.00 0.00 C ATOM 852 CG ARG A 54 59.309 11.222 4.540 1.00 0.00 C ATOM 853 CD ARG A 54 60.718 11.813 4.528 1.00 0.00 C ATOM 854 NE ARG A 54 60.662 13.245 4.794 1.00 0.00 N ATOM 855 CZ ARG A 54 60.569 13.710 6.035 1.00 0.00 C ATOM 856 NH1 ARG A 54 59.465 13.543 6.715 1.00 0.00 N ATOM 857 NH2 ARG A 54 61.581 14.333 6.574 1.00 0.00 N ATOM 0 H ARG A 54 61.222 8.036 4.031 1.00 0.00 H new ATOM 0 HA ARG A 54 60.072 9.630 6.188 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.024 9.585 3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 54 58.381 9.379 3.895 1.00 0.00 H new ATOM 0 HG2 ARG A 54 58.676 11.751 3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 54 58.858 11.351 5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 54 61.334 11.319 5.279 1.00 0.00 H new ATOM 0 HD3 ARG A 54 61.188 11.633 3.561 1.00 0.00 H new ATOM 0 HE ARG A 54 60.695 13.901 4.014 1.00 0.00 H new ATOM 0 HH11 ARG A 54 58.675 13.056 6.293 1.00 0.00 H new ATOM 0 HH12 ARG A 54 59.394 13.900 7.668 1.00 0.00 H new ATOM 0 HH21 ARG A 54 62.442 14.462 6.043 1.00 0.00 H new ATOM 0 HH22 ARG A 54 61.511 14.691 7.527 1.00 0.00 H new ATOM 871 N THR A 55 57.837 8.099 6.465 1.00 0.00 N ATOM 872 CA THR A 55 56.957 6.983 6.746 1.00 0.00 C ATOM 873 C THR A 55 56.086 6.713 5.530 1.00 0.00 C ATOM 874 O THR A 55 55.613 7.630 4.859 1.00 0.00 O ATOM 875 CB THR A 55 56.106 7.291 7.982 1.00 0.00 C ATOM 876 OG1 THR A 55 56.495 6.431 9.043 1.00 0.00 O ATOM 877 CG2 THR A 55 54.618 7.087 7.689 1.00 0.00 C ATOM 0 H THR A 55 57.578 9.004 6.858 1.00 0.00 H new ATOM 0 HA THR A 55 57.544 6.089 6.957 1.00 0.00 H new ATOM 0 HB THR A 55 56.264 8.333 8.260 1.00 0.00 H new ATOM 0 HG1 THR A 55 55.954 6.626 9.837 1.00 0.00 H new ATOM 0 HG21 THR A 55 54.037 7.312 8.583 1.00 0.00 H new ATOM 0 HG22 THR A 55 54.312 7.751 6.880 1.00 0.00 H new ATOM 0 HG23 THR A 55 54.444 6.052 7.394 1.00 0.00 H new ATOM 885 N LEU A 56 55.890 5.435 5.269 1.00 0.00 N ATOM 886 CA LEU A 56 55.088 4.980 4.151 1.00 0.00 C ATOM 887 C LEU A 56 53.588 5.089 4.399 1.00 0.00 C ATOM 888 O LEU A 56 52.815 5.289 3.463 1.00 0.00 O ATOM 889 CB LEU A 56 55.506 3.573 3.752 1.00 0.00 C ATOM 890 CG LEU A 56 56.290 3.641 2.429 1.00 0.00 C ATOM 891 CD1 LEU A 56 57.538 4.518 2.619 1.00 0.00 C ATOM 892 CD2 LEU A 56 56.715 2.233 1.992 1.00 0.00 C ATOM 0 H LEU A 56 56.285 4.680 5.830 1.00 0.00 H new ATOM 0 HA LEU A 56 55.282 5.652 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 56 56.122 3.127 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 56 54.628 2.937 3.637 1.00 0.00 H new ATOM 0 HG LEU A 56 55.651 4.073 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 56 58.094 4.567 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 56 57.235 5.523 2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 56 58.171 4.087 3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 56 57.269 2.294 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 56 57.349 1.790 2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 56 55.830 1.613 1.850 1.00 0.00 H new ATOM 904 N SER A 57 53.163 4.946 5.642 1.00 0.00 N ATOM 905 CA SER A 57 51.740 5.029 5.913 1.00 0.00 C ATOM 906 C SER A 57 51.246 6.345 5.368 1.00 0.00 C ATOM 907 O SER A 57 50.111 6.461 4.907 1.00 0.00 O ATOM 908 CB SER A 57 51.456 4.951 7.415 1.00 0.00 C ATOM 909 OG SER A 57 52.232 5.928 8.092 1.00 0.00 O ATOM 0 H SER A 57 53.758 4.778 6.453 1.00 0.00 H new ATOM 0 HA SER A 57 51.228 4.192 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 57 50.396 5.117 7.605 1.00 0.00 H new ATOM 0 HB3 SER A 57 51.695 3.956 7.791 1.00 0.00 H new ATOM 0 HG SER A 57 52.050 5.881 9.054 1.00 0.00 H new ATOM 915 N ASP A 58 52.144 7.331 5.376 1.00 0.00 N ATOM 916 CA ASP A 58 51.841 8.646 4.827 1.00 0.00 C ATOM 917 C ASP A 58 51.780 8.543 3.307 1.00 0.00 C ATOM 918 O ASP A 58 51.097 9.321 2.640 1.00 0.00 O ATOM 919 CB ASP A 58 52.922 9.651 5.236 1.00 0.00 C ATOM 920 CG ASP A 58 52.485 11.067 4.878 1.00 0.00 C ATOM 921 OD1 ASP A 58 51.865 11.231 3.841 1.00 0.00 O ATOM 922 OD2 ASP A 58 52.777 11.967 5.647 1.00 0.00 O ATOM 0 H ASP A 58 53.086 7.240 5.757 1.00 0.00 H new ATOM 0 HA ASP A 58 50.882 8.991 5.214 1.00 0.00 H new ATOM 0 HB2 ASP A 58 53.109 9.580 6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 58 53.859 9.413 4.733 1.00 0.00 H new ATOM 927 N TYR A 59 52.503 7.557 2.774 1.00 0.00 N ATOM 928 CA TYR A 59 52.539 7.317 1.335 1.00 0.00 C ATOM 929 C TYR A 59 51.284 6.569 0.913 1.00 0.00 C ATOM 930 O TYR A 59 51.134 6.187 -0.247 1.00 0.00 O ATOM 931 CB TYR A 59 53.768 6.476 0.976 1.00 0.00 C ATOM 932 CG TYR A 59 54.884 7.373 0.560 1.00 0.00 C ATOM 933 CD1 TYR A 59 55.726 7.927 1.521 1.00 0.00 C ATOM 934 CD2 TYR A 59 55.072 7.650 -0.792 1.00 0.00 C ATOM 935 CE1 TYR A 59 56.773 8.770 1.126 1.00 0.00 C ATOM 936 CE2 TYR A 59 56.117 8.492 -1.191 1.00 0.00 C ATOM 937 CZ TYR A 59 56.968 9.053 -0.232 1.00 0.00 C ATOM 938 OH TYR A 59 58.000 9.881 -0.624 1.00 0.00 O ATOM 0 H TYR A 59 53.072 6.911 3.321 1.00 0.00 H new ATOM 0 HA TYR A 59 52.591 8.275 0.817 1.00 0.00 H new ATOM 0 HB2 TYR A 59 54.072 5.874 1.832 1.00 0.00 H new ATOM 0 HB3 TYR A 59 53.525 5.784 0.170 1.00 0.00 H new ATOM 0 HD1 TYR A 59 55.572 7.708 2.567 1.00 0.00 H new ATOM 0 HD2 TYR A 59 54.414 7.217 -1.530 1.00 0.00 H new ATOM 0 HE1 TYR A 59 57.429 9.201 1.868 1.00 0.00 H new ATOM 0 HE2 TYR A 59 56.266 8.709 -2.238 1.00 0.00 H new ATOM 0 HH TYR A 59 57.994 9.971 -1.600 1.00 0.00 H new ATOM 948 N ASN A 60 50.393 6.357 1.871 1.00 0.00 N ATOM 949 CA ASN A 60 49.158 5.644 1.599 1.00 0.00 C ATOM 950 C ASN A 60 49.456 4.240 1.090 1.00 0.00 C ATOM 951 O ASN A 60 48.788 3.754 0.177 1.00 0.00 O ATOM 952 CB ASN A 60 48.335 6.397 0.551 1.00 0.00 C ATOM 953 CG ASN A 60 48.285 7.884 0.887 1.00 0.00 C ATOM 954 OD1 ASN A 60 49.192 8.634 0.523 1.00 0.00 O ATOM 955 ND2 ASN A 60 47.273 8.356 1.560 1.00 0.00 N ATOM 0 H ASN A 60 50.503 6.667 2.837 1.00 0.00 H new ATOM 0 HA ASN A 60 48.590 5.576 2.527 1.00 0.00 H new ATOM 0 HB2 ASN A 60 48.773 6.255 -0.437 1.00 0.00 H new ATOM 0 HB3 ASN A 60 47.324 5.992 0.512 1.00 0.00 H new ATOM 0 HD21 ASN A 60 47.230 9.350 1.787 1.00 0.00 H new ATOM 0 HD22 ASN A 60 46.524 7.732 1.860 1.00 0.00 H new ATOM 962 N ILE A 61 50.455 3.578 1.679 1.00 0.00 N ATOM 963 CA ILE A 61 50.785 2.229 1.242 1.00 0.00 C ATOM 964 C ILE A 61 49.613 1.306 1.552 1.00 0.00 C ATOM 965 O ILE A 61 49.010 1.354 2.624 1.00 0.00 O ATOM 966 CB ILE A 61 52.077 1.723 1.889 1.00 0.00 C ATOM 967 CG1 ILE A 61 53.282 2.498 1.333 1.00 0.00 C ATOM 968 CG2 ILE A 61 52.261 0.234 1.591 1.00 0.00 C ATOM 969 CD1 ILE A 61 53.325 2.414 -0.199 1.00 0.00 C ATOM 0 H ILE A 61 51.031 3.944 2.437 1.00 0.00 H new ATOM 0 HA ILE A 61 50.961 2.240 0.166 1.00 0.00 H new ATOM 0 HB ILE A 61 52.010 1.876 2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 61 53.223 3.541 1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 61 54.204 2.093 1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 61 53.182 -0.119 2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 61 51.416 -0.325 1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 61 52.316 0.083 0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 61 54.186 2.970 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 61 53.408 1.371 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 61 52.412 2.842 -0.613 1.00 0.00 H new ATOM 981 N GLN A 62 49.263 0.532 0.537 1.00 0.00 N ATOM 982 CA GLN A 62 48.116 -0.363 0.569 1.00 0.00 C ATOM 983 C GLN A 62 48.458 -1.805 0.922 1.00 0.00 C ATOM 984 O GLN A 62 49.577 -2.145 1.299 1.00 0.00 O ATOM 985 CB GLN A 62 47.411 -0.342 -0.790 1.00 0.00 C ATOM 986 CG GLN A 62 48.370 -0.825 -1.884 1.00 0.00 C ATOM 987 CD GLN A 62 47.576 -1.331 -3.086 1.00 0.00 C ATOM 988 OE1 GLN A 62 46.915 -0.548 -3.768 1.00 0.00 O ATOM 989 NE2 GLN A 62 47.599 -2.602 -3.385 1.00 0.00 N ATOM 0 H GLN A 62 49.775 0.507 -0.345 1.00 0.00 H new ATOM 0 HA GLN A 62 47.469 0.009 1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 62 46.528 -0.980 -0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 62 47.067 0.668 -1.015 1.00 0.00 H new ATOM 0 HG2 GLN A 62 49.028 -0.011 -2.188 1.00 0.00 H new ATOM 0 HG3 GLN A 62 49.006 -1.621 -1.496 1.00 0.00 H new ATOM 0 HE21 GLN A 62 48.147 -3.249 -2.819 1.00 0.00 H new ATOM 0 HE22 GLN A 62 47.069 -2.947 -4.185 1.00 0.00 H new ATOM 998 N LYS A 63 47.414 -2.609 0.781 1.00 0.00 N ATOM 999 CA LYS A 63 47.388 -4.048 1.033 1.00 0.00 C ATOM 1000 C LYS A 63 48.631 -4.801 0.545 1.00 0.00 C ATOM 1001 O LYS A 63 48.524 -5.979 0.234 1.00 0.00 O ATOM 1002 CB LYS A 63 46.147 -4.653 0.363 1.00 0.00 C ATOM 1003 CG LYS A 63 44.909 -4.424 1.241 1.00 0.00 C ATOM 1004 CD LYS A 63 44.777 -5.569 2.254 1.00 0.00 C ATOM 1005 CE LYS A 63 43.614 -5.287 3.214 1.00 0.00 C ATOM 1006 NZ LYS A 63 44.117 -5.317 4.616 1.00 0.00 N ATOM 0 H LYS A 63 46.509 -2.257 0.470 1.00 0.00 H new ATOM 0 HA LYS A 63 47.365 -4.164 2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 63 45.996 -4.200 -0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 63 46.295 -5.721 0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 63 44.992 -3.471 1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 63 44.015 -4.370 0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 63 44.608 -6.511 1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 63 45.705 -5.678 2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 63 43.173 -4.315 2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 63 42.828 -6.031 3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 43.332 -5.126 5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 44.519 -6.254 4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 44.852 -4.591 4.737 1.00 0.00 H new ATOM 1020 N GLU A 64 49.783 -4.133 0.452 1.00 0.00 N ATOM 1021 CA GLU A 64 51.016 -4.769 -0.043 1.00 0.00 C ATOM 1022 C GLU A 64 51.203 -4.627 -1.544 1.00 0.00 C ATOM 1023 O GLU A 64 51.483 -5.580 -2.266 1.00 0.00 O ATOM 1024 CB GLU A 64 51.044 -6.262 0.345 1.00 0.00 C ATOM 1025 CG GLU A 64 50.333 -7.133 -0.719 1.00 0.00 C ATOM 1026 CD GLU A 64 49.600 -8.294 -0.049 1.00 0.00 C ATOM 1027 OE1 GLU A 64 50.081 -8.766 0.968 1.00 0.00 O ATOM 1028 OE2 GLU A 64 48.568 -8.694 -0.564 1.00 0.00 O ATOM 0 H GLU A 64 49.892 -3.153 0.712 1.00 0.00 H new ATOM 0 HA GLU A 64 51.843 -4.243 0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 64 52.077 -6.592 0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 64 50.560 -6.398 1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 64 49.626 -6.525 -1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 64 51.063 -7.517 -1.431 1.00 0.00 H new ATOM 1035 N SER A 65 51.114 -3.382 -1.976 1.00 0.00 N ATOM 1036 CA SER A 65 51.335 -3.028 -3.360 1.00 0.00 C ATOM 1037 C SER A 65 52.767 -3.383 -3.766 1.00 0.00 C ATOM 1038 O SER A 65 53.668 -3.399 -2.928 1.00 0.00 O ATOM 1039 CB SER A 65 51.134 -1.529 -3.519 1.00 0.00 C ATOM 1040 OG SER A 65 49.912 -1.292 -4.206 1.00 0.00 O ATOM 0 H SER A 65 50.886 -2.590 -1.375 1.00 0.00 H new ATOM 0 HA SER A 65 50.635 -3.575 -3.992 1.00 0.00 H new ATOM 0 HB2 SER A 65 51.115 -1.047 -2.542 1.00 0.00 H new ATOM 0 HB3 SER A 65 51.967 -1.095 -4.073 1.00 0.00 H new ATOM 0 HG SER A 65 49.729 -0.329 -4.226 1.00 0.00 H new ATOM 1046 N THR A 66 52.976 -3.653 -5.051 1.00 0.00 N ATOM 1047 CA THR A 66 54.312 -3.992 -5.537 1.00 0.00 C ATOM 1048 C THR A 66 55.098 -2.727 -5.873 1.00 0.00 C ATOM 1049 O THR A 66 54.613 -1.859 -6.601 1.00 0.00 O ATOM 1050 CB THR A 66 54.215 -4.872 -6.786 1.00 0.00 C ATOM 1051 OG1 THR A 66 54.101 -4.046 -7.937 1.00 0.00 O ATOM 1052 CG2 THR A 66 52.990 -5.781 -6.686 1.00 0.00 C ATOM 0 H THR A 66 52.250 -3.645 -5.767 1.00 0.00 H new ATOM 0 HA THR A 66 54.831 -4.537 -4.748 1.00 0.00 H new ATOM 0 HB THR A 66 55.111 -5.487 -6.864 1.00 0.00 H new ATOM 0 HG1 THR A 66 53.923 -3.123 -7.661 1.00 0.00 H new ATOM 0 HG21 THR A 66 52.926 -6.405 -7.578 1.00 0.00 H new ATOM 0 HG22 THR A 66 53.079 -6.416 -5.804 1.00 0.00 H new ATOM 0 HG23 THR A 66 52.090 -5.171 -6.605 1.00 0.00 H new ATOM 1060 N LEU A 67 56.315 -2.627 -5.338 1.00 0.00 N ATOM 1061 CA LEU A 67 57.165 -1.462 -5.588 1.00 0.00 C ATOM 1062 C LEU A 67 58.177 -1.773 -6.688 1.00 0.00 C ATOM 1063 O LEU A 67 58.828 -2.817 -6.667 1.00 0.00 O ATOM 1064 CB LEU A 67 57.909 -1.072 -4.306 1.00 0.00 C ATOM 1065 CG LEU A 67 56.943 -1.108 -3.119 1.00 0.00 C ATOM 1066 CD1 LEU A 67 57.688 -0.703 -1.846 1.00 0.00 C ATOM 1067 CD2 LEU A 67 55.789 -0.133 -3.371 1.00 0.00 C ATOM 0 H LEU A 67 56.733 -3.334 -4.732 1.00 0.00 H new ATOM 0 HA LEU A 67 56.534 -0.633 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 67 58.739 -1.757 -4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 67 58.335 -0.074 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 67 56.546 -2.116 -3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 67 57.002 -0.728 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 67 58.509 -1.398 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 67 58.085 0.306 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 67 55.101 -0.158 -2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 67 56.184 0.876 -3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 67 55.260 -0.422 -4.279 1.00 0.00 H new ATOM 1079 N HIS A 68 58.300 -0.862 -7.648 1.00 0.00 N ATOM 1080 CA HIS A 68 59.232 -1.052 -8.755 1.00 0.00 C ATOM 1081 C HIS A 68 60.613 -0.506 -8.395 1.00 0.00 C ATOM 1082 O HIS A 68 60.728 0.527 -7.738 1.00 0.00 O ATOM 1083 CB HIS A 68 58.702 -0.344 -10.008 1.00 0.00 C ATOM 1084 CG HIS A 68 59.124 -1.101 -11.240 1.00 0.00 C ATOM 1085 ND1 HIS A 68 58.254 -1.924 -11.941 1.00 0.00 N ATOM 1086 CD2 HIS A 68 60.321 -1.167 -11.909 1.00 0.00 C ATOM 1087 CE1 HIS A 68 58.934 -2.444 -12.978 1.00 0.00 C ATOM 1088 NE2 HIS A 68 60.199 -2.015 -13.006 1.00 0.00 N ATOM 0 H HIS A 68 57.771 0.009 -7.683 1.00 0.00 H new ATOM 0 HA HIS A 68 59.322 -2.120 -8.954 1.00 0.00 H new ATOM 0 HB2 HIS A 68 57.615 -0.277 -9.966 1.00 0.00 H new ATOM 0 HB3 HIS A 68 59.083 0.676 -10.049 1.00 0.00 H new ATOM 0 HD2 HIS A 68 61.221 -0.641 -11.627 1.00 0.00 H new ATOM 0 HE1 HIS A 68 58.509 -3.125 -13.700 1.00 0.00 H new ATOM 0 HE2 HIS A 68 60.920 -2.257 -13.685 1.00 0.00 H new ATOM 1096 N LEU A 69 61.657 -1.209 -8.826 1.00 0.00 N ATOM 1097 CA LEU A 69 63.028 -0.789 -8.544 1.00 0.00 C ATOM 1098 C LEU A 69 63.804 -0.574 -9.841 1.00 0.00 C ATOM 1099 O LEU A 69 63.408 -1.059 -10.901 1.00 0.00 O ATOM 1100 CB LEU A 69 63.738 -1.850 -7.695 1.00 0.00 C ATOM 1101 CG LEU A 69 62.746 -2.481 -6.706 1.00 0.00 C ATOM 1102 CD1 LEU A 69 62.037 -3.673 -7.364 1.00 0.00 C ATOM 1103 CD2 LEU A 69 63.507 -2.966 -5.466 1.00 0.00 C ATOM 0 H LEU A 69 61.581 -2.069 -9.370 1.00 0.00 H new ATOM 0 HA LEU A 69 62.991 0.152 -7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 69 64.161 -2.620 -8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 69 64.568 -1.398 -7.152 1.00 0.00 H new ATOM 0 HG LEU A 69 62.004 -1.737 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 69 61.335 -4.115 -6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 69 61.496 -3.332 -8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 69 62.776 -4.419 -7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 69 62.807 -3.414 -4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 69 64.249 -3.708 -5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 69 64.007 -2.121 -4.992 1.00 0.00 H new