USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 478 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 3 HIS : no HE2:sc= -0.0884 K(o=-2,f=-3.4!) USER MOD Set 1.2: A 32 LYS NZ :NH3+ -169:sc= -1.91 (180deg=-2.16) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.578 K(o=-0.58,f=0) USER MOD Single : A 7 THR OG1 : rot -136:sc= -1.29 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 77:sc= -0.655 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.785 USER MOD Single : A 20 ASN : amide:sc= -0.659 K(o=-0.66,f=-1.4) USER MOD Single : A 23 LYS NZ :NH3+ -124:sc= -0.511 (180deg=-1.17) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0332 USER MOD Single : A 27 MET CE :methyl 170:sc= -2.7 (180deg=-2.97!) USER MOD Single : A 35 ASN : amide:sc= -2.03 K(o=-2,f=-8.9!) USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= -1.23 (180deg=-1.34) USER MOD Single : A 42 CYS SG : rot 31:sc= -1.64 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.4!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 54 LYS NZ :NH3+ -147:sc= -2.91 (180deg=-5.04!) USER MOD Single : A 55 ASN : amide:sc=-0.00305 X(o=-0.003,f=-0.015) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -43:sc= 0.157 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.197 -7.576 2.675 1.00 0.00 N ATOM 2 CA GLY A 1 15.340 -8.297 1.695 1.00 0.00 C ATOM 3 C GLY A 1 14.512 -7.356 0.843 1.00 0.00 C ATOM 4 O GLY A 1 15.055 -6.508 0.135 1.00 0.00 O ATOM 0 H1 GLY A 1 16.742 -8.265 3.232 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.851 -6.946 2.167 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.598 -7.013 3.312 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.969 -8.908 1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.676 -8.977 2.229 1.00 0.00 H new ATOM 10 N SER A 2 13.194 -7.504 0.912 1.00 0.00 N ATOM 11 CA SER A 2 12.287 -6.659 0.142 1.00 0.00 C ATOM 12 C SER A 2 11.457 -5.773 1.062 1.00 0.00 C ATOM 13 O SER A 2 11.038 -6.199 2.138 1.00 0.00 O ATOM 14 CB SER A 2 11.362 -7.521 -0.721 1.00 0.00 C ATOM 15 OG SER A 2 11.423 -7.129 -2.082 1.00 0.00 O ATOM 0 H SER A 2 12.729 -8.201 1.493 1.00 0.00 H new ATOM 0 HA SER A 2 12.888 -6.020 -0.505 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.645 -8.569 -0.628 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.337 -7.434 -0.360 1.00 0.00 H new ATOM 0 HG SER A 2 10.825 -7.696 -2.613 1.00 0.00 H new ATOM 21 N HIS A 3 11.208 -4.543 0.626 1.00 0.00 N ATOM 22 CA HIS A 3 10.408 -3.608 1.414 1.00 0.00 C ATOM 23 C HIS A 3 8.932 -3.894 1.211 1.00 0.00 C ATOM 24 O HIS A 3 8.437 -3.895 0.085 1.00 0.00 O ATOM 25 CB HIS A 3 10.711 -2.151 1.050 1.00 0.00 C ATOM 26 CG HIS A 3 11.347 -1.960 -0.294 1.00 0.00 C ATOM 27 ND1 HIS A 3 10.778 -2.410 -1.467 1.00 0.00 N ATOM 28 CD2 HIS A 3 12.508 -1.360 -0.648 1.00 0.00 C ATOM 29 CE1 HIS A 3 11.561 -2.096 -2.483 1.00 0.00 C ATOM 30 NE2 HIS A 3 12.618 -1.459 -2.014 1.00 0.00 N ATOM 0 H HIS A 3 11.545 -4.171 -0.262 1.00 0.00 H new ATOM 0 HA HIS A 3 10.670 -3.749 2.463 1.00 0.00 H new ATOM 0 HB2 HIS A 3 9.782 -1.582 1.081 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.368 -1.730 1.811 1.00 0.00 H new ATOM 0 HD1 HIS A 3 9.891 -2.908 -1.539 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.216 -0.891 0.019 1.00 0.00 H new ATOM 0 HE1 HIS A 3 11.369 -2.322 -3.522 1.00 0.00 H new ATOM 39 N VAL A 4 8.232 -4.156 2.307 1.00 0.00 N ATOM 40 CA VAL A 4 6.816 -4.467 2.243 1.00 0.00 C ATOM 41 C VAL A 4 6.018 -3.601 3.208 1.00 0.00 C ATOM 42 O VAL A 4 6.578 -2.949 4.083 1.00 0.00 O ATOM 43 CB VAL A 4 6.554 -5.956 2.561 1.00 0.00 C ATOM 44 CG1 VAL A 4 5.760 -6.612 1.442 1.00 0.00 C ATOM 45 CG2 VAL A 4 7.859 -6.706 2.794 1.00 0.00 C ATOM 0 H VAL A 4 8.624 -4.159 3.249 1.00 0.00 H new ATOM 0 HA VAL A 4 6.491 -4.259 1.224 1.00 0.00 H new ATOM 0 HB VAL A 4 5.967 -6.003 3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.586 -7.660 1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.803 -6.102 1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.321 -6.544 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.643 -7.751 3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.478 -6.645 1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.390 -6.259 3.634 1.00 0.00 H new ATOM 55 N VAL A 5 4.704 -3.609 3.043 1.00 0.00 N ATOM 56 CA VAL A 5 3.814 -2.842 3.907 1.00 0.00 C ATOM 57 C VAL A 5 2.622 -3.687 4.327 1.00 0.00 C ATOM 58 O VAL A 5 2.297 -4.688 3.692 1.00 0.00 O ATOM 59 CB VAL A 5 3.369 -1.503 3.258 1.00 0.00 C ATOM 60 CG1 VAL A 5 3.544 -1.531 1.751 1.00 0.00 C ATOM 61 CG2 VAL A 5 1.943 -1.101 3.625 1.00 0.00 C ATOM 0 H VAL A 5 4.227 -4.141 2.315 1.00 0.00 H new ATOM 0 HA VAL A 5 4.375 -2.574 4.802 1.00 0.00 H new ATOM 0 HB VAL A 5 4.028 -0.740 3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.223 -0.578 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.594 -1.699 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.941 -2.336 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.695 -0.157 3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.250 -1.874 3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.865 -0.984 4.706 1.00 0.00 H new ATOM 71 N GLN A 6 1.998 -3.302 5.424 1.00 0.00 N ATOM 72 CA GLN A 6 0.865 -4.054 5.949 1.00 0.00 C ATOM 73 C GLN A 6 -0.316 -3.147 6.264 1.00 0.00 C ATOM 74 O GLN A 6 -0.139 -2.018 6.720 1.00 0.00 O ATOM 75 CB GLN A 6 1.288 -4.816 7.206 1.00 0.00 C ATOM 76 CG GLN A 6 0.741 -6.233 7.269 1.00 0.00 C ATOM 77 CD GLN A 6 1.533 -7.122 8.208 1.00 0.00 C ATOM 78 OE1 GLN A 6 1.551 -6.905 9.419 1.00 0.00 O ATOM 79 NE2 GLN A 6 2.194 -8.130 7.653 1.00 0.00 N ATOM 0 H GLN A 6 2.252 -2.478 5.969 1.00 0.00 H new ATOM 0 HA GLN A 6 0.546 -4.759 5.181 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.376 -4.853 7.250 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.952 -4.266 8.085 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.299 -6.203 7.594 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.750 -6.667 6.269 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.152 -8.274 6.644 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.744 -8.761 8.235 1.00 0.00 H new ATOM 88 N THR A 7 -1.523 -3.654 6.024 1.00 0.00 N ATOM 89 CA THR A 7 -2.733 -2.887 6.292 1.00 0.00 C ATOM 90 C THR A 7 -3.578 -3.559 7.361 1.00 0.00 C ATOM 91 O THR A 7 -3.335 -4.704 7.740 1.00 0.00 O ATOM 92 CB THR A 7 -3.555 -2.694 5.018 1.00 0.00 C ATOM 93 OG1 THR A 7 -3.085 -3.540 3.983 1.00 0.00 O ATOM 94 CG2 THR A 7 -3.522 -1.274 4.498 1.00 0.00 C ATOM 0 H THR A 7 -1.687 -4.587 5.647 1.00 0.00 H new ATOM 0 HA THR A 7 -2.426 -1.907 6.657 1.00 0.00 H new ATOM 0 HB THR A 7 -4.580 -2.942 5.295 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.037 -3.035 3.144 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.125 -1.204 3.592 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.924 -0.600 5.254 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.493 -0.993 4.272 1.00 0.00 H new ATOM 102 N LEU A 8 -4.563 -2.823 7.853 1.00 0.00 N ATOM 103 CA LEU A 8 -5.446 -3.324 8.895 1.00 0.00 C ATOM 104 C LEU A 8 -6.917 -3.098 8.541 1.00 0.00 C ATOM 105 O LEU A 8 -7.799 -3.774 9.071 1.00 0.00 O ATOM 106 CB LEU A 8 -5.120 -2.656 10.239 1.00 0.00 C ATOM 107 CG LEU A 8 -4.221 -1.417 10.181 1.00 0.00 C ATOM 108 CD1 LEU A 8 -2.829 -1.775 9.680 1.00 0.00 C ATOM 109 CD2 LEU A 8 -4.856 -0.344 9.310 1.00 0.00 C ATOM 0 H LEU A 8 -4.771 -1.873 7.546 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.281 -4.398 8.979 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.058 -2.376 10.718 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.642 -3.396 10.882 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.116 -1.021 11.191 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.212 -0.877 9.649 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.376 -2.503 10.353 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.901 -2.201 8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.206 0.530 9.278 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.995 -0.730 8.300 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.823 -0.062 9.727 1.00 0.00 H new ATOM 121 N TYR A 9 -7.180 -2.144 7.649 1.00 0.00 N ATOM 122 CA TYR A 9 -8.546 -1.836 7.240 1.00 0.00 C ATOM 123 C TYR A 9 -8.634 -1.662 5.725 1.00 0.00 C ATOM 124 O TYR A 9 -7.621 -1.451 5.058 1.00 0.00 O ATOM 125 CB TYR A 9 -9.034 -0.567 7.941 1.00 0.00 C ATOM 126 CG TYR A 9 -8.717 -0.530 9.419 1.00 0.00 C ATOM 127 CD1 TYR A 9 -9.257 -1.470 10.288 1.00 0.00 C ATOM 128 CD2 TYR A 9 -7.879 0.444 9.945 1.00 0.00 C ATOM 129 CE1 TYR A 9 -8.969 -1.440 11.640 1.00 0.00 C ATOM 130 CE2 TYR A 9 -7.586 0.481 11.295 1.00 0.00 C ATOM 131 CZ TYR A 9 -8.134 -0.463 12.137 1.00 0.00 C ATOM 132 OH TYR A 9 -7.845 -0.429 13.482 1.00 0.00 O ATOM 0 H TYR A 9 -6.465 -1.573 7.198 1.00 0.00 H new ATOM 0 HA TYR A 9 -9.184 -2.671 7.529 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.582 0.300 7.460 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.112 -0.480 7.807 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.912 -2.236 9.901 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.449 1.185 9.288 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -9.396 -2.178 12.303 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.932 1.245 11.688 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.241 0.320 13.668 1.00 0.00 H new ATOM 142 N PRO A 10 -9.853 -1.751 5.159 1.00 0.00 N ATOM 143 CA PRO A 10 -10.067 -1.603 3.715 1.00 0.00 C ATOM 144 C PRO A 10 -9.335 -0.397 3.136 1.00 0.00 C ATOM 145 O PRO A 10 -8.752 0.401 3.870 1.00 0.00 O ATOM 146 CB PRO A 10 -11.579 -1.419 3.607 1.00 0.00 C ATOM 147 CG PRO A 10 -12.128 -2.160 4.776 1.00 0.00 C ATOM 148 CD PRO A 10 -11.116 -2.004 5.880 1.00 0.00 C ATOM 0 HA PRO A 10 -9.684 -2.455 3.154 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.854 -0.365 3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.962 -1.819 2.668 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.096 -1.756 5.074 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.282 -3.212 4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.371 -1.178 6.544 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.053 -2.901 6.496 1.00 0.00 H new ATOM 156 N PHE A 11 -9.367 -0.272 1.813 1.00 0.00 N ATOM 157 CA PHE A 11 -8.701 0.833 1.134 1.00 0.00 C ATOM 158 C PHE A 11 -9.701 1.905 0.709 1.00 0.00 C ATOM 159 O PHE A 11 -10.792 1.596 0.230 1.00 0.00 O ATOM 160 CB PHE A 11 -7.942 0.320 -0.090 1.00 0.00 C ATOM 161 CG PHE A 11 -6.848 1.240 -0.550 1.00 0.00 C ATOM 162 CD1 PHE A 11 -7.147 2.502 -1.040 1.00 0.00 C ATOM 163 CD2 PHE A 11 -5.522 0.844 -0.491 1.00 0.00 C ATOM 164 CE1 PHE A 11 -6.142 3.352 -1.462 1.00 0.00 C ATOM 165 CE2 PHE A 11 -4.513 1.690 -0.913 1.00 0.00 C ATOM 166 CZ PHE A 11 -4.824 2.946 -1.398 1.00 0.00 C ATOM 0 H PHE A 11 -9.847 -0.922 1.190 1.00 0.00 H new ATOM 0 HA PHE A 11 -7.997 1.280 1.836 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.512 -0.654 0.142 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -8.647 0.171 -0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.176 2.824 -1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.274 -0.136 -0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.388 4.333 -1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.483 1.369 -0.864 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.037 3.609 -1.726 1.00 0.00 H new ATOM 176 N SER A 12 -9.316 3.165 0.882 1.00 0.00 N ATOM 177 CA SER A 12 -10.172 4.287 0.512 1.00 0.00 C ATOM 178 C SER A 12 -9.459 5.203 -0.480 1.00 0.00 C ATOM 179 O SER A 12 -8.411 5.773 -0.170 1.00 0.00 O ATOM 180 CB SER A 12 -10.583 5.077 1.756 1.00 0.00 C ATOM 181 OG SER A 12 -11.861 4.674 2.217 1.00 0.00 O ATOM 0 H SER A 12 -8.415 3.435 1.277 1.00 0.00 H new ATOM 0 HA SER A 12 -11.069 3.890 0.036 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.845 4.929 2.545 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.595 6.142 1.526 1.00 0.00 H new ATOM 0 HG SER A 12 -12.100 5.192 3.014 1.00 0.00 H new ATOM 187 N SER A 13 -10.028 5.336 -1.672 1.00 0.00 N ATOM 188 CA SER A 13 -9.445 6.177 -2.710 1.00 0.00 C ATOM 189 C SER A 13 -10.280 7.430 -2.939 1.00 0.00 C ATOM 190 O SER A 13 -11.379 7.566 -2.401 1.00 0.00 O ATOM 191 CB SER A 13 -9.313 5.396 -4.018 1.00 0.00 C ATOM 192 OG SER A 13 -8.048 4.767 -4.113 1.00 0.00 O ATOM 0 H SER A 13 -10.894 4.871 -1.944 1.00 0.00 H new ATOM 0 HA SER A 13 -8.454 6.482 -2.373 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.101 4.645 -4.077 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.451 6.071 -4.863 1.00 0.00 H new ATOM 0 HG SER A 13 -8.036 3.969 -3.545 1.00 0.00 H new ATOM 198 N VAL A 14 -9.747 8.344 -3.741 1.00 0.00 N ATOM 199 CA VAL A 14 -10.433 9.592 -4.047 1.00 0.00 C ATOM 200 C VAL A 14 -9.759 10.314 -5.212 1.00 0.00 C ATOM 201 O VAL A 14 -10.430 10.855 -6.090 1.00 0.00 O ATOM 202 CB VAL A 14 -10.485 10.516 -2.812 1.00 0.00 C ATOM 203 CG1 VAL A 14 -9.164 10.471 -2.069 1.00 0.00 C ATOM 204 CG2 VAL A 14 -10.843 11.946 -3.201 1.00 0.00 C ATOM 0 H VAL A 14 -8.838 8.243 -4.193 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.454 9.342 -4.335 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.271 10.153 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.213 11.127 -1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.965 9.450 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.363 10.803 -2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.871 12.570 -2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.094 12.334 -3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -11.821 11.958 -3.683 1.00 0.00 H new ATOM 214 N THR A 15 -8.428 10.315 -5.215 1.00 0.00 N ATOM 215 CA THR A 15 -7.669 10.968 -6.276 1.00 0.00 C ATOM 216 C THR A 15 -7.677 10.123 -7.546 1.00 0.00 C ATOM 217 O THR A 15 -8.151 8.987 -7.546 1.00 0.00 O ATOM 218 CB THR A 15 -6.230 11.228 -5.825 1.00 0.00 C ATOM 219 OG1 THR A 15 -6.114 11.109 -4.418 1.00 0.00 O ATOM 220 CG2 THR A 15 -5.721 12.598 -6.212 1.00 0.00 C ATOM 0 H THR A 15 -7.855 9.872 -4.497 1.00 0.00 H new ATOM 0 HA THR A 15 -8.146 11.924 -6.494 1.00 0.00 H new ATOM 0 HB THR A 15 -5.628 10.476 -6.335 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.186 11.277 -4.151 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.696 12.717 -5.862 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.749 12.704 -7.296 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.351 13.362 -5.757 1.00 0.00 H new ATOM 228 N GLU A 16 -7.148 10.685 -8.629 1.00 0.00 N ATOM 229 CA GLU A 16 -7.095 9.989 -9.907 1.00 0.00 C ATOM 230 C GLU A 16 -5.876 9.069 -9.974 1.00 0.00 C ATOM 231 O GLU A 16 -5.903 8.035 -10.641 1.00 0.00 O ATOM 232 CB GLU A 16 -7.077 11.014 -11.052 1.00 0.00 C ATOM 233 CG GLU A 16 -6.206 10.623 -12.237 1.00 0.00 C ATOM 234 CD GLU A 16 -6.674 9.349 -12.913 1.00 0.00 C ATOM 235 OE1 GLU A 16 -7.582 8.685 -12.369 1.00 0.00 O ATOM 236 OE2 GLU A 16 -6.132 9.014 -13.988 1.00 0.00 O ATOM 0 H GLU A 16 -6.749 11.624 -8.645 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.983 9.365 -10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.098 11.166 -11.402 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.729 11.970 -10.661 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.203 11.435 -12.964 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.178 10.494 -11.900 1.00 0.00 H new ATOM 243 N GLU A 17 -4.810 9.453 -9.279 1.00 0.00 N ATOM 244 CA GLU A 17 -3.583 8.664 -9.262 1.00 0.00 C ATOM 245 C GLU A 17 -3.532 7.751 -8.038 1.00 0.00 C ATOM 246 O GLU A 17 -2.460 7.480 -7.500 1.00 0.00 O ATOM 247 CB GLU A 17 -2.361 9.585 -9.276 1.00 0.00 C ATOM 248 CG GLU A 17 -2.303 10.536 -8.092 1.00 0.00 C ATOM 249 CD GLU A 17 -2.269 11.993 -8.513 1.00 0.00 C ATOM 250 OE1 GLU A 17 -1.437 12.341 -9.377 1.00 0.00 O ATOM 251 OE2 GLU A 17 -3.073 12.784 -7.978 1.00 0.00 O ATOM 0 H GLU A 17 -4.771 10.305 -8.720 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.573 8.040 -10.156 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.457 8.976 -9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.365 10.166 -10.198 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.169 10.367 -7.453 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.418 10.314 -7.495 1.00 0.00 H new ATOM 258 N GLU A 18 -4.697 7.277 -7.610 1.00 0.00 N ATOM 259 CA GLU A 18 -4.793 6.392 -6.457 1.00 0.00 C ATOM 260 C GLU A 18 -5.360 5.044 -6.872 1.00 0.00 C ATOM 261 O GLU A 18 -5.509 4.770 -8.063 1.00 0.00 O ATOM 262 CB GLU A 18 -5.687 7.004 -5.387 1.00 0.00 C ATOM 263 CG GLU A 18 -5.018 8.107 -4.585 1.00 0.00 C ATOM 264 CD GLU A 18 -5.262 7.976 -3.095 1.00 0.00 C ATOM 265 OE1 GLU A 18 -5.060 6.867 -2.555 1.00 0.00 O ATOM 266 OE2 GLU A 18 -5.657 8.981 -2.466 1.00 0.00 O ATOM 0 H GLU A 18 -5.592 7.493 -8.048 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.791 6.254 -6.051 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.583 7.405 -5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.012 6.218 -4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.945 8.090 -4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.388 9.074 -4.926 1.00 0.00 H new ATOM 273 N LEU A 19 -5.683 4.202 -5.893 1.00 0.00 N ATOM 274 CA LEU A 19 -6.230 2.890 -6.195 1.00 0.00 C ATOM 275 C LEU A 19 -7.205 2.399 -5.132 1.00 0.00 C ATOM 276 O LEU A 19 -6.987 2.575 -3.933 1.00 0.00 O ATOM 277 CB LEU A 19 -5.100 1.883 -6.358 1.00 0.00 C ATOM 278 CG LEU A 19 -4.938 1.357 -7.775 1.00 0.00 C ATOM 279 CD1 LEU A 19 -4.105 2.305 -8.611 1.00 0.00 C ATOM 280 CD2 LEU A 19 -4.347 -0.045 -7.759 1.00 0.00 C ATOM 0 H LEU A 19 -5.576 4.404 -4.899 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.788 2.984 -7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.165 2.348 -6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.277 1.042 -5.688 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.923 1.297 -8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.003 1.907 -9.620 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.593 3.279 -8.653 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.117 2.413 -8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.238 -0.406 -8.782 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.370 -0.023 -7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.009 -0.713 -7.207 1.00 0.00 H new ATOM 292 N ASN A 20 -8.269 1.751 -5.594 1.00 0.00 N ATOM 293 CA ASN A 20 -9.284 1.188 -4.711 1.00 0.00 C ATOM 294 C ASN A 20 -9.255 -0.334 -4.806 1.00 0.00 C ATOM 295 O ASN A 20 -9.742 -0.914 -5.776 1.00 0.00 O ATOM 296 CB ASN A 20 -10.673 1.712 -5.079 1.00 0.00 C ATOM 297 CG ASN A 20 -10.973 1.565 -6.558 1.00 0.00 C ATOM 298 OD1 ASN A 20 -11.492 0.538 -6.998 1.00 0.00 O ATOM 299 ND2 ASN A 20 -10.650 2.593 -7.333 1.00 0.00 N ATOM 0 H ASN A 20 -8.452 1.602 -6.586 1.00 0.00 H new ATOM 0 HA ASN A 20 -9.066 1.492 -3.687 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.426 1.174 -4.503 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -10.748 2.763 -4.798 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -10.830 2.552 -8.336 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.222 3.424 -6.925 1.00 0.00 H new ATOM 306 N PHE A 21 -8.654 -0.971 -3.808 1.00 0.00 N ATOM 307 CA PHE A 21 -8.524 -2.425 -3.789 1.00 0.00 C ATOM 308 C PHE A 21 -9.274 -3.053 -2.617 1.00 0.00 C ATOM 309 O PHE A 21 -9.643 -2.375 -1.658 1.00 0.00 O ATOM 310 CB PHE A 21 -7.046 -2.808 -3.730 1.00 0.00 C ATOM 311 CG PHE A 21 -6.336 -2.745 -5.059 1.00 0.00 C ATOM 312 CD1 PHE A 21 -7.016 -2.450 -6.237 1.00 0.00 C ATOM 313 CD2 PHE A 21 -4.977 -2.997 -5.129 1.00 0.00 C ATOM 314 CE1 PHE A 21 -6.351 -2.416 -7.443 1.00 0.00 C ATOM 315 CE2 PHE A 21 -4.315 -2.959 -6.332 1.00 0.00 C ATOM 316 CZ PHE A 21 -4.999 -2.673 -7.487 1.00 0.00 C ATOM 0 H PHE A 21 -8.247 -0.503 -2.998 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.971 -2.811 -4.705 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.539 -2.146 -3.028 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.960 -3.819 -3.333 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.076 -2.246 -6.205 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.430 -3.226 -4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.889 -2.188 -8.352 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.254 -3.155 -6.369 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.476 -2.649 -8.432 1.00 0.00 H new ATOM 326 N GLU A 22 -9.494 -4.359 -2.718 1.00 0.00 N ATOM 327 CA GLU A 22 -10.199 -5.118 -1.691 1.00 0.00 C ATOM 328 C GLU A 22 -9.423 -5.119 -0.372 1.00 0.00 C ATOM 329 O GLU A 22 -8.623 -4.220 -0.113 1.00 0.00 O ATOM 330 CB GLU A 22 -10.435 -6.552 -2.174 1.00 0.00 C ATOM 331 CG GLU A 22 -11.873 -7.016 -2.016 1.00 0.00 C ATOM 332 CD GLU A 22 -11.994 -8.525 -1.937 1.00 0.00 C ATOM 333 OE1 GLU A 22 -11.092 -9.221 -2.448 1.00 0.00 O ATOM 334 OE2 GLU A 22 -12.991 -9.011 -1.363 1.00 0.00 O ATOM 0 H GLU A 22 -9.189 -4.921 -3.513 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.161 -4.639 -1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.152 -6.625 -3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.781 -7.226 -1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.296 -6.574 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.463 -6.652 -2.857 1.00 0.00 H new ATOM 341 N LYS A 23 -9.679 -6.124 0.468 1.00 0.00 N ATOM 342 CA LYS A 23 -9.025 -6.232 1.765 1.00 0.00 C ATOM 343 C LYS A 23 -7.510 -6.132 1.637 1.00 0.00 C ATOM 344 O LYS A 23 -6.897 -6.780 0.788 1.00 0.00 O ATOM 345 CB LYS A 23 -9.429 -7.557 2.433 1.00 0.00 C ATOM 346 CG LYS A 23 -8.290 -8.565 2.612 1.00 0.00 C ATOM 347 CD LYS A 23 -7.260 -8.143 3.667 1.00 0.00 C ATOM 348 CE LYS A 23 -7.803 -7.123 4.663 1.00 0.00 C ATOM 349 NZ LYS A 23 -8.817 -7.722 5.577 1.00 0.00 N ATOM 0 H LYS A 23 -10.339 -6.876 0.268 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.351 -5.399 2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.857 -7.338 3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.215 -8.022 1.838 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.711 -9.531 2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.784 -8.703 1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.922 -9.026 4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.388 -7.723 3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.980 -6.716 5.251 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.250 -6.290 4.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.702 -7.180 5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.995 -8.708 5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.462 -7.697 6.554 1.00 0.00 H new ATOM 363 N GLY A 24 -6.919 -5.321 2.506 1.00 0.00 N ATOM 364 CA GLY A 24 -5.485 -5.143 2.508 1.00 0.00 C ATOM 365 C GLY A 24 -4.845 -5.761 3.733 1.00 0.00 C ATOM 366 O GLY A 24 -4.737 -5.122 4.778 1.00 0.00 O ATOM 0 H GLY A 24 -7.415 -4.780 3.214 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.061 -5.593 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.250 -4.079 2.473 1.00 0.00 H new ATOM 370 N GLU A 25 -4.422 -7.009 3.603 1.00 0.00 N ATOM 371 CA GLU A 25 -3.785 -7.719 4.701 1.00 0.00 C ATOM 372 C GLU A 25 -2.280 -7.590 4.596 1.00 0.00 C ATOM 373 O GLU A 25 -1.548 -7.767 5.570 1.00 0.00 O ATOM 374 CB GLU A 25 -4.192 -9.192 4.691 1.00 0.00 C ATOM 375 CG GLU A 25 -4.843 -9.638 5.982 1.00 0.00 C ATOM 376 CD GLU A 25 -5.382 -11.052 5.908 1.00 0.00 C ATOM 377 OE1 GLU A 25 -4.594 -11.974 5.608 1.00 0.00 O ATOM 378 OE2 GLU A 25 -6.594 -11.239 6.147 1.00 0.00 O ATOM 0 H GLU A 25 -4.509 -7.553 2.744 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.113 -7.277 5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.881 -9.367 3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.310 -9.805 4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.116 -9.573 6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.657 -8.956 6.228 1.00 0.00 H new ATOM 385 N THR A 26 -1.837 -7.277 3.396 1.00 0.00 N ATOM 386 CA THR A 26 -0.427 -7.110 3.119 1.00 0.00 C ATOM 387 C THR A 26 -0.208 -6.473 1.752 1.00 0.00 C ATOM 388 O THR A 26 -0.772 -6.907 0.747 1.00 0.00 O ATOM 389 CB THR A 26 0.291 -8.450 3.181 1.00 0.00 C ATOM 390 OG1 THR A 26 -0.626 -9.521 3.033 1.00 0.00 O ATOM 391 CG2 THR A 26 1.053 -8.667 4.470 1.00 0.00 C ATOM 0 H THR A 26 -2.443 -7.132 2.588 1.00 0.00 H new ATOM 0 HA THR A 26 -0.016 -6.448 3.881 1.00 0.00 H new ATOM 0 HB THR A 26 1.006 -8.429 2.359 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.143 -10.373 3.074 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.540 -9.642 4.445 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.807 -7.888 4.583 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.362 -8.628 5.312 1.00 0.00 H new ATOM 399 N MET A 27 0.624 -5.446 1.733 1.00 0.00 N ATOM 400 CA MET A 27 0.955 -4.725 0.511 1.00 0.00 C ATOM 401 C MET A 27 2.441 -4.404 0.488 1.00 0.00 C ATOM 402 O MET A 27 3.105 -4.497 1.511 1.00 0.00 O ATOM 403 CB MET A 27 0.134 -3.440 0.405 1.00 0.00 C ATOM 404 CG MET A 27 -1.258 -3.654 -0.171 1.00 0.00 C ATOM 405 SD MET A 27 -2.521 -2.689 0.680 1.00 0.00 S ATOM 406 CE MET A 27 -4.004 -3.562 0.182 1.00 0.00 C ATOM 0 H MET A 27 1.091 -5.086 2.565 1.00 0.00 H new ATOM 0 HA MET A 27 0.713 -5.356 -0.344 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.044 -2.993 1.395 1.00 0.00 H new ATOM 0 HB3 MET A 27 0.671 -2.726 -0.219 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.254 -3.387 -1.228 1.00 0.00 H new ATOM 0 HG3 MET A 27 -1.513 -4.712 -0.110 1.00 0.00 H new ATOM 0 HE1 MET A 27 -4.852 -3.200 0.763 1.00 0.00 H new ATOM 0 HE2 MET A 27 -4.190 -3.388 -0.878 1.00 0.00 H new ATOM 0 HE3 MET A 27 -3.874 -4.630 0.357 1.00 0.00 H new ATOM 416 N GLU A 28 2.969 -4.037 -0.671 1.00 0.00 N ATOM 417 CA GLU A 28 4.389 -3.706 -0.782 1.00 0.00 C ATOM 418 C GLU A 28 4.583 -2.325 -1.391 1.00 0.00 C ATOM 419 O GLU A 28 4.249 -2.095 -2.551 1.00 0.00 O ATOM 420 CB GLU A 28 5.127 -4.737 -1.623 1.00 0.00 C ATOM 421 CG GLU A 28 4.460 -6.105 -1.663 1.00 0.00 C ATOM 422 CD GLU A 28 5.157 -7.066 -2.604 1.00 0.00 C ATOM 423 OE1 GLU A 28 4.958 -6.945 -3.831 1.00 0.00 O ATOM 424 OE2 GLU A 28 5.903 -7.940 -2.115 1.00 0.00 O ATOM 0 H GLU A 28 2.444 -3.960 -1.542 1.00 0.00 H new ATOM 0 HA GLU A 28 4.801 -3.710 0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.218 -4.360 -2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.139 -4.850 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.449 -6.529 -0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.421 -5.990 -1.972 1.00 0.00 H new ATOM 431 N VAL A 29 5.135 -1.416 -0.604 1.00 0.00 N ATOM 432 CA VAL A 29 5.373 -0.052 -1.050 1.00 0.00 C ATOM 433 C VAL A 29 6.776 0.111 -1.628 1.00 0.00 C ATOM 434 O VAL A 29 7.764 -0.311 -1.029 1.00 0.00 O ATOM 435 CB VAL A 29 5.147 0.937 0.117 1.00 0.00 C ATOM 436 CG1 VAL A 29 5.806 2.287 -0.137 1.00 0.00 C ATOM 437 CG2 VAL A 29 3.657 1.107 0.372 1.00 0.00 C ATOM 0 H VAL A 29 5.429 -1.600 0.355 1.00 0.00 H new ATOM 0 HA VAL A 29 4.662 0.171 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 29 5.619 0.515 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.620 2.948 0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.880 2.150 -0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.390 2.730 -1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.506 1.805 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.176 1.495 -0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.220 0.142 0.629 1.00 0.00 H new ATOM 447 N ILE A 30 6.844 0.731 -2.800 1.00 0.00 N ATOM 448 CA ILE A 30 8.118 0.964 -3.475 1.00 0.00 C ATOM 449 C ILE A 30 8.705 2.312 -3.069 1.00 0.00 C ATOM 450 O ILE A 30 9.725 2.372 -2.382 1.00 0.00 O ATOM 451 CB ILE A 30 7.992 0.904 -5.019 1.00 0.00 C ATOM 452 CG1 ILE A 30 6.574 1.273 -5.484 1.00 0.00 C ATOM 453 CG2 ILE A 30 8.375 -0.479 -5.522 1.00 0.00 C ATOM 454 CD1 ILE A 30 5.664 0.077 -5.703 1.00 0.00 C ATOM 0 H ILE A 30 6.030 1.083 -3.305 1.00 0.00 H new ATOM 0 HA ILE A 30 8.785 0.161 -3.161 1.00 0.00 H new ATOM 0 HB ILE A 30 8.678 1.638 -5.441 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.120 1.931 -4.743 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.643 1.839 -6.413 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.283 -0.510 -6.608 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.405 -0.697 -5.239 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.712 -1.223 -5.080 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.683 0.421 -6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.093 -0.572 -6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.562 -0.478 -4.770 1.00 0.00 H new ATOM 466 N GLU A 31 8.050 3.393 -3.483 1.00 0.00 N ATOM 467 CA GLU A 31 8.506 4.735 -3.142 1.00 0.00 C ATOM 468 C GLU A 31 8.485 4.923 -1.630 1.00 0.00 C ATOM 469 O GLU A 31 7.476 4.656 -0.979 1.00 0.00 O ATOM 470 CB GLU A 31 7.623 5.786 -3.818 1.00 0.00 C ATOM 471 CG GLU A 31 8.182 7.197 -3.730 1.00 0.00 C ATOM 472 CD GLU A 31 7.408 8.076 -2.768 1.00 0.00 C ATOM 473 OE1 GLU A 31 7.091 7.603 -1.656 1.00 0.00 O ATOM 474 OE2 GLU A 31 7.117 9.236 -3.126 1.00 0.00 O ATOM 0 H GLU A 31 7.205 3.365 -4.053 1.00 0.00 H new ATOM 0 HA GLU A 31 9.528 4.860 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.494 5.520 -4.867 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.634 5.767 -3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.224 7.151 -3.415 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.168 7.651 -4.721 1.00 0.00 H new ATOM 481 N LYS A 32 9.606 5.363 -1.071 1.00 0.00 N ATOM 482 CA LYS A 32 9.703 5.556 0.370 1.00 0.00 C ATOM 483 C LYS A 32 9.727 7.034 0.746 1.00 0.00 C ATOM 484 O LYS A 32 10.039 7.895 -0.078 1.00 0.00 O ATOM 485 CB LYS A 32 10.939 4.840 0.916 1.00 0.00 C ATOM 486 CG LYS A 32 10.629 3.479 1.518 1.00 0.00 C ATOM 487 CD LYS A 32 9.737 2.651 0.603 1.00 0.00 C ATOM 488 CE LYS A 32 9.075 1.508 1.352 1.00 0.00 C ATOM 489 NZ LYS A 32 10.076 0.613 1.993 1.00 0.00 N ATOM 0 H LYS A 32 10.454 5.591 -1.589 1.00 0.00 H new ATOM 0 HA LYS A 32 8.812 5.123 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.664 4.717 0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.408 5.467 1.675 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.559 2.942 1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.139 3.610 2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.971 3.291 0.164 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.330 2.252 -0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.408 1.911 2.114 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.460 0.930 0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.604 -0.249 2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.807 0.357 1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.518 1.105 2.796 1.00 0.00 H new ATOM 503 N PRO A 33 9.379 7.341 2.008 1.00 0.00 N ATOM 504 CA PRO A 33 9.335 8.702 2.517 1.00 0.00 C ATOM 505 C PRO A 33 10.633 9.129 3.197 1.00 0.00 C ATOM 506 O PRO A 33 10.681 10.166 3.859 1.00 0.00 O ATOM 507 CB PRO A 33 8.195 8.631 3.531 1.00 0.00 C ATOM 508 CG PRO A 33 8.151 7.203 3.998 1.00 0.00 C ATOM 509 CD PRO A 33 8.984 6.381 3.045 1.00 0.00 C ATOM 0 HA PRO A 33 9.195 9.436 1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.371 9.310 4.365 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.248 8.923 3.076 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.539 7.121 5.013 1.00 0.00 H new ATOM 0 HG3 PRO A 33 7.124 6.839 4.019 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.853 5.950 3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.412 5.553 2.626 1.00 0.00 H new ATOM 517 N GLU A 34 11.682 8.332 3.032 1.00 0.00 N ATOM 518 CA GLU A 34 12.972 8.648 3.635 1.00 0.00 C ATOM 519 C GLU A 34 13.591 9.872 2.970 1.00 0.00 C ATOM 520 O GLU A 34 14.336 10.623 3.599 1.00 0.00 O ATOM 521 CB GLU A 34 13.922 7.453 3.525 1.00 0.00 C ATOM 522 CG GLU A 34 14.141 6.976 2.099 1.00 0.00 C ATOM 523 CD GLU A 34 15.108 5.810 2.017 1.00 0.00 C ATOM 524 OE1 GLU A 34 16.131 5.837 2.732 1.00 0.00 O ATOM 525 OE2 GLU A 34 14.840 4.871 1.240 1.00 0.00 O ATOM 0 H GLU A 34 11.666 7.468 2.490 1.00 0.00 H new ATOM 0 HA GLU A 34 12.809 8.870 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.884 7.724 3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.525 6.629 4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.185 6.681 1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.521 7.802 1.498 1.00 0.00 H new ATOM 532 N ASN A 35 13.274 10.066 1.695 1.00 0.00 N ATOM 533 CA ASN A 35 13.791 11.199 0.940 1.00 0.00 C ATOM 534 C ASN A 35 12.655 12.108 0.485 1.00 0.00 C ATOM 535 O ASN A 35 12.782 13.333 0.496 1.00 0.00 O ATOM 536 CB ASN A 35 14.590 10.713 -0.272 1.00 0.00 C ATOM 537 CG ASN A 35 13.903 9.574 -1.002 1.00 0.00 C ATOM 538 OD1 ASN A 35 12.710 9.641 -1.298 1.00 0.00 O ATOM 539 ND2 ASN A 35 14.656 8.520 -1.296 1.00 0.00 N ATOM 0 H ASN A 35 12.659 9.451 1.162 1.00 0.00 H new ATOM 0 HA ASN A 35 14.452 11.769 1.593 1.00 0.00 H new ATOM 0 HB2 ASN A 35 14.740 11.544 -0.961 1.00 0.00 H new ATOM 0 HB3 ASN A 35 15.578 10.388 0.055 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.249 7.723 -1.786 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.641 8.507 -1.031 1.00 0.00 H new ATOM 546 N ASP A 36 11.541 11.500 0.086 1.00 0.00 N ATOM 547 CA ASP A 36 10.379 12.254 -0.374 1.00 0.00 C ATOM 548 C ASP A 36 9.132 11.889 0.433 1.00 0.00 C ATOM 549 O ASP A 36 8.509 10.857 0.187 1.00 0.00 O ATOM 550 CB ASP A 36 10.130 11.987 -1.859 1.00 0.00 C ATOM 551 CG ASP A 36 11.348 12.281 -2.713 1.00 0.00 C ATOM 552 OD1 ASP A 36 12.468 11.913 -2.299 1.00 0.00 O ATOM 553 OD2 ASP A 36 11.182 12.880 -3.797 1.00 0.00 O ATOM 0 H ASP A 36 11.419 10.487 0.072 1.00 0.00 H new ATOM 0 HA ASP A 36 10.586 13.314 -0.228 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.838 10.945 -1.994 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.295 12.599 -2.200 1.00 0.00 H new ATOM 558 N PRO A 37 8.747 12.734 1.407 1.00 0.00 N ATOM 559 CA PRO A 37 7.569 12.492 2.241 1.00 0.00 C ATOM 560 C PRO A 37 6.275 12.932 1.562 1.00 0.00 C ATOM 561 O PRO A 37 5.498 13.702 2.127 1.00 0.00 O ATOM 562 CB PRO A 37 7.848 13.353 3.468 1.00 0.00 C ATOM 563 CG PRO A 37 8.620 14.513 2.937 1.00 0.00 C ATOM 564 CD PRO A 37 9.427 13.992 1.773 1.00 0.00 C ATOM 0 HA PRO A 37 7.424 11.434 2.459 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.923 13.676 3.946 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.419 12.805 4.217 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.950 15.312 2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.271 14.930 3.705 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.434 14.699 0.943 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.466 13.818 2.053 1.00 0.00 H new ATOM 572 N GLU A 38 6.053 12.449 0.344 1.00 0.00 N ATOM 573 CA GLU A 38 4.856 12.805 -0.409 1.00 0.00 C ATOM 574 C GLU A 38 3.827 11.673 -0.398 1.00 0.00 C ATOM 575 O GLU A 38 2.898 11.680 0.408 1.00 0.00 O ATOM 576 CB GLU A 38 5.221 13.185 -1.849 1.00 0.00 C ATOM 577 CG GLU A 38 6.428 12.446 -2.410 1.00 0.00 C ATOM 578 CD GLU A 38 6.336 12.235 -3.909 1.00 0.00 C ATOM 579 OE1 GLU A 38 5.392 11.551 -4.355 1.00 0.00 O ATOM 580 OE2 GLU A 38 7.210 12.754 -4.635 1.00 0.00 O ATOM 0 H GLU A 38 6.684 11.812 -0.142 1.00 0.00 H new ATOM 0 HA GLU A 38 4.403 13.668 0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.362 12.992 -2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.415 14.257 -1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.333 13.009 -2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.520 11.479 -1.915 1.00 0.00 H new ATOM 587 N TRP A 39 3.987 10.709 -1.303 1.00 0.00 N ATOM 588 CA TRP A 39 3.056 9.585 -1.393 1.00 0.00 C ATOM 589 C TRP A 39 3.757 8.345 -1.931 1.00 0.00 C ATOM 590 O TRP A 39 4.714 8.450 -2.699 1.00 0.00 O ATOM 591 CB TRP A 39 1.882 9.931 -2.320 1.00 0.00 C ATOM 592 CG TRP A 39 1.731 11.398 -2.600 1.00 0.00 C ATOM 593 CD1 TRP A 39 2.300 12.094 -3.629 1.00 0.00 C ATOM 594 CD2 TRP A 39 0.967 12.345 -1.847 1.00 0.00 C ATOM 595 NE1 TRP A 39 1.935 13.416 -3.562 1.00 0.00 N ATOM 596 CE2 TRP A 39 1.116 13.596 -2.478 1.00 0.00 C ATOM 597 CE3 TRP A 39 0.168 12.261 -0.704 1.00 0.00 C ATOM 598 CZ2 TRP A 39 0.498 14.750 -2.002 1.00 0.00 C ATOM 599 CZ3 TRP A 39 -0.445 13.408 -0.232 1.00 0.00 C ATOM 600 CH2 TRP A 39 -0.277 14.636 -0.881 1.00 0.00 C ATOM 0 H TRP A 39 4.748 10.683 -1.981 1.00 0.00 H new ATOM 0 HA TRP A 39 2.683 9.384 -0.389 1.00 0.00 H new ATOM 0 HB2 TRP A 39 2.012 9.404 -3.265 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.959 9.561 -1.873 1.00 0.00 H new ATOM 0 HD1 TRP A 39 2.943 11.667 -4.384 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.226 14.145 -4.213 1.00 0.00 H new ATOM 0 HE3 TRP A 39 0.031 11.317 -0.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.626 15.700 -2.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.063 13.355 0.652 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.770 15.513 -0.488 1.00 0.00 H new ATOM 611 N TRP A 40 3.263 7.167 -1.557 1.00 0.00 N ATOM 612 CA TRP A 40 3.843 5.926 -2.046 1.00 0.00 C ATOM 613 C TRP A 40 2.809 5.124 -2.818 1.00 0.00 C ATOM 614 O TRP A 40 1.630 5.473 -2.849 1.00 0.00 O ATOM 615 CB TRP A 40 4.434 5.079 -0.916 1.00 0.00 C ATOM 616 CG TRP A 40 3.634 5.068 0.351 1.00 0.00 C ATOM 617 CD1 TRP A 40 2.507 4.340 0.616 1.00 0.00 C ATOM 618 CD2 TRP A 40 3.918 5.809 1.539 1.00 0.00 C ATOM 619 NE1 TRP A 40 2.091 4.573 1.899 1.00 0.00 N ATOM 620 CE2 TRP A 40 2.934 5.480 2.486 1.00 0.00 C ATOM 621 CE3 TRP A 40 4.911 6.719 1.892 1.00 0.00 C ATOM 622 CZ2 TRP A 40 2.920 6.032 3.766 1.00 0.00 C ATOM 623 CZ3 TRP A 40 4.896 7.268 3.160 1.00 0.00 C ATOM 624 CH2 TRP A 40 3.905 6.923 4.083 1.00 0.00 C ATOM 0 H TRP A 40 2.472 7.049 -0.924 1.00 0.00 H new ATOM 0 HA TRP A 40 4.661 6.195 -2.714 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.542 4.053 -1.269 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.436 5.446 -0.693 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.018 3.679 -0.084 1.00 0.00 H new ATOM 0 HE1 TRP A 40 1.283 4.141 2.347 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.681 6.992 1.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 2.157 5.764 4.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.662 7.975 3.442 1.00 0.00 H new ATOM 0 HH2 TRP A 40 3.918 7.370 5.066 1.00 0.00 H new ATOM 635 N LYS A 41 3.266 4.054 -3.447 1.00 0.00 N ATOM 636 CA LYS A 41 2.400 3.198 -4.238 1.00 0.00 C ATOM 637 C LYS A 41 2.863 1.754 -4.153 1.00 0.00 C ATOM 638 O LYS A 41 4.058 1.477 -4.182 1.00 0.00 O ATOM 639 CB LYS A 41 2.336 3.667 -5.691 1.00 0.00 C ATOM 640 CG LYS A 41 3.672 4.088 -6.262 1.00 0.00 C ATOM 641 CD LYS A 41 4.462 2.900 -6.777 1.00 0.00 C ATOM 642 CE LYS A 41 4.066 2.490 -8.195 1.00 0.00 C ATOM 643 NZ LYS A 41 3.037 3.387 -8.799 1.00 0.00 N ATOM 0 H LYS A 41 4.241 3.756 -3.424 1.00 0.00 H new ATOM 0 HA LYS A 41 1.392 3.262 -3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.928 2.863 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.642 4.505 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.513 4.799 -7.073 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.249 4.604 -5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.525 3.141 -6.758 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.315 2.054 -6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.954 2.488 -8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.684 1.469 -8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.723 2.992 -9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.223 3.464 -8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.447 4.330 -8.954 1.00 0.00 H new ATOM 657 N CYS A 42 1.919 0.836 -4.013 1.00 0.00 N ATOM 658 CA CYS A 42 2.253 -0.573 -3.900 1.00 0.00 C ATOM 659 C CYS A 42 1.437 -1.399 -4.881 1.00 0.00 C ATOM 660 O CYS A 42 0.336 -1.006 -5.267 1.00 0.00 O ATOM 661 CB CYS A 42 1.999 -1.072 -2.476 1.00 0.00 C ATOM 662 SG CYS A 42 0.396 -0.588 -1.797 1.00 0.00 S ATOM 0 H CYS A 42 0.921 1.041 -3.975 1.00 0.00 H new ATOM 0 HA CYS A 42 3.311 -0.687 -4.135 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.072 -2.159 -2.466 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.786 -0.693 -1.824 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.471 -0.490 -2.760 1.00 0.00 H new ATOM 668 N LYS A 43 1.978 -2.549 -5.277 1.00 0.00 N ATOM 669 CA LYS A 43 1.296 -3.431 -6.220 1.00 0.00 C ATOM 670 C LYS A 43 0.471 -4.472 -5.486 1.00 0.00 C ATOM 671 O LYS A 43 0.872 -4.971 -4.435 1.00 0.00 O ATOM 672 CB LYS A 43 2.308 -4.125 -7.136 1.00 0.00 C ATOM 673 CG LYS A 43 3.492 -3.250 -7.522 1.00 0.00 C ATOM 674 CD LYS A 43 4.273 -3.851 -8.681 1.00 0.00 C ATOM 675 CE LYS A 43 5.143 -5.011 -8.223 1.00 0.00 C ATOM 676 NZ LYS A 43 4.519 -6.328 -8.525 1.00 0.00 N ATOM 0 H LYS A 43 2.885 -2.891 -4.960 1.00 0.00 H new ATOM 0 HA LYS A 43 0.628 -2.820 -6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.678 -5.022 -6.639 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.799 -4.451 -8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.138 -2.256 -7.797 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.151 -3.127 -6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.580 -4.195 -9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.898 -3.083 -9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.116 -4.950 -8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.319 -4.931 -7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.144 -7.092 -8.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.602 -6.398 -8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.374 -6.416 -9.551 1.00 0.00 H new ATOM 690 N ASN A 44 -0.688 -4.795 -6.049 1.00 0.00 N ATOM 691 CA ASN A 44 -1.572 -5.778 -5.440 1.00 0.00 C ATOM 692 C ASN A 44 -1.834 -6.914 -6.399 1.00 0.00 C ATOM 693 O ASN A 44 -1.436 -6.861 -7.563 1.00 0.00 O ATOM 694 CB ASN A 44 -2.899 -5.135 -5.025 1.00 0.00 C ATOM 695 CG ASN A 44 -3.532 -5.839 -3.840 1.00 0.00 C ATOM 696 OD1 ASN A 44 -2.839 -6.450 -3.025 1.00 0.00 O ATOM 697 ND2 ASN A 44 -4.852 -5.761 -3.735 1.00 0.00 N ATOM 0 H ASN A 44 -1.034 -4.393 -6.920 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.080 -6.168 -4.549 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.731 -4.087 -4.775 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.589 -5.155 -5.868 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.330 -6.217 -2.958 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.389 -5.245 -4.432 1.00 0.00 H new ATOM 704 N ALA A 45 -2.534 -7.929 -5.921 1.00 0.00 N ATOM 705 CA ALA A 45 -2.873 -9.056 -6.764 1.00 0.00 C ATOM 706 C ALA A 45 -3.825 -8.610 -7.870 1.00 0.00 C ATOM 707 O ALA A 45 -4.232 -9.402 -8.721 1.00 0.00 O ATOM 708 CB ALA A 45 -3.480 -10.172 -5.934 1.00 0.00 C ATOM 0 H ALA A 45 -2.875 -7.993 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.966 -9.441 -7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.730 -11.012 -6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.763 -10.496 -5.180 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.384 -9.811 -5.444 1.00 0.00 H new ATOM 714 N ARG A 46 -4.155 -7.321 -7.850 1.00 0.00 N ATOM 715 CA ARG A 46 -5.031 -6.715 -8.830 1.00 0.00 C ATOM 716 C ARG A 46 -4.232 -6.354 -10.083 1.00 0.00 C ATOM 717 O ARG A 46 -4.798 -5.941 -11.096 1.00 0.00 O ATOM 718 CB ARG A 46 -5.597 -5.429 -8.231 1.00 0.00 C ATOM 719 CG ARG A 46 -6.976 -5.530 -7.602 1.00 0.00 C ATOM 720 CD ARG A 46 -7.049 -6.526 -6.452 1.00 0.00 C ATOM 721 NE ARG A 46 -6.633 -7.871 -6.839 1.00 0.00 N ATOM 722 CZ ARG A 46 -7.351 -8.670 -7.624 1.00 0.00 C ATOM 723 NH1 ARG A 46 -8.515 -8.261 -8.113 1.00 0.00 N ATOM 724 NH2 ARG A 46 -6.906 -9.885 -7.918 1.00 0.00 N ATOM 0 H ARG A 46 -3.815 -6.668 -7.144 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.829 -7.410 -9.093 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.901 -5.069 -7.473 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.633 -4.673 -9.015 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.274 -4.546 -7.239 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.696 -5.819 -8.368 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.418 -6.177 -5.635 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.070 -6.562 -6.073 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.741 -8.218 -6.487 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.864 -7.329 -7.888 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.061 -8.878 -8.714 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.014 -10.206 -7.542 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.456 -10.498 -8.520 1.00 0.00 H new ATOM 738 N GLY A 47 -2.905 -6.494 -9.994 1.00 0.00 N ATOM 739 CA GLY A 47 -2.039 -6.159 -11.109 1.00 0.00 C ATOM 740 C GLY A 47 -1.829 -4.659 -11.244 1.00 0.00 C ATOM 741 O GLY A 47 -1.046 -4.209 -12.081 1.00 0.00 O ATOM 0 H GLY A 47 -2.419 -6.835 -9.165 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.074 -6.649 -10.977 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.470 -6.548 -12.031 1.00 0.00 H new ATOM 745 N GLN A 48 -2.538 -3.885 -10.422 1.00 0.00 N ATOM 746 CA GLN A 48 -2.439 -2.431 -10.451 1.00 0.00 C ATOM 747 C GLN A 48 -1.950 -1.864 -9.130 1.00 0.00 C ATOM 748 O GLN A 48 -2.377 -2.289 -8.063 1.00 0.00 O ATOM 749 CB GLN A 48 -3.778 -1.780 -10.809 1.00 0.00 C ATOM 750 CG GLN A 48 -5.012 -2.639 -10.573 1.00 0.00 C ATOM 751 CD GLN A 48 -5.762 -2.950 -11.855 1.00 0.00 C ATOM 752 OE1 GLN A 48 -5.165 -3.343 -12.857 1.00 0.00 O ATOM 753 NE2 GLN A 48 -7.076 -2.773 -11.827 1.00 0.00 N ATOM 0 H GLN A 48 -3.190 -4.246 -9.725 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.708 -2.196 -11.224 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.881 -0.862 -10.231 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.753 -1.494 -11.860 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.714 -3.572 -10.095 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.680 -2.126 -9.881 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.528 -2.445 -10.974 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.634 -2.964 -12.659 1.00 0.00 H new ATOM 762 N VAL A 49 -1.074 -0.876 -9.207 1.00 0.00 N ATOM 763 CA VAL A 49 -0.568 -0.227 -8.010 1.00 0.00 C ATOM 764 C VAL A 49 -0.831 1.269 -8.072 1.00 0.00 C ATOM 765 O VAL A 49 -0.454 1.939 -9.035 1.00 0.00 O ATOM 766 CB VAL A 49 0.939 -0.472 -7.794 1.00 0.00 C ATOM 767 CG1 VAL A 49 1.640 -0.753 -9.098 1.00 0.00 C ATOM 768 CG2 VAL A 49 1.580 0.704 -7.072 1.00 0.00 C ATOM 0 H VAL A 49 -0.700 -0.507 -10.082 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.099 -0.668 -7.166 1.00 0.00 H new ATOM 0 HB VAL A 49 1.047 -1.355 -7.165 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.701 -0.921 -8.912 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.207 -1.640 -9.560 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.520 0.099 -9.767 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.643 0.509 -6.931 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.453 1.609 -7.666 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.104 0.838 -6.101 1.00 0.00 H new ATOM 778 N GLY A 50 -1.472 1.786 -7.037 1.00 0.00 N ATOM 779 CA GLY A 50 -1.765 3.199 -6.985 1.00 0.00 C ATOM 780 C GLY A 50 -1.115 3.864 -5.805 1.00 0.00 C ATOM 781 O GLY A 50 -0.271 3.273 -5.135 1.00 0.00 O ATOM 0 H GLY A 50 -1.795 1.250 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.422 3.675 -7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.844 3.344 -6.934 1.00 0.00 H new ATOM 785 N LEU A 51 -1.519 5.090 -5.540 1.00 0.00 N ATOM 786 CA LEU A 51 -0.977 5.833 -4.415 1.00 0.00 C ATOM 787 C LEU A 51 -1.782 5.536 -3.162 1.00 0.00 C ATOM 788 O LEU A 51 -3.012 5.592 -3.174 1.00 0.00 O ATOM 789 CB LEU A 51 -0.959 7.333 -4.712 1.00 0.00 C ATOM 790 CG LEU A 51 0.402 7.902 -5.143 1.00 0.00 C ATOM 791 CD1 LEU A 51 1.274 6.841 -5.793 1.00 0.00 C ATOM 792 CD2 LEU A 51 0.208 9.069 -6.092 1.00 0.00 C ATOM 0 H LEU A 51 -2.219 5.594 -6.085 1.00 0.00 H new ATOM 0 HA LEU A 51 0.053 5.516 -4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.686 7.540 -5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.292 7.867 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 51 0.913 8.249 -4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.227 7.282 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.450 6.031 -5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.771 6.448 -6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.180 9.462 -6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.333 8.733 -6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.363 9.852 -5.594 1.00 0.00 H new ATOM 804 N VAL A 52 -1.084 5.178 -2.095 1.00 0.00 N ATOM 805 CA VAL A 52 -1.744 4.825 -0.849 1.00 0.00 C ATOM 806 C VAL A 52 -1.105 5.476 0.375 1.00 0.00 C ATOM 807 O VAL A 52 0.102 5.396 0.573 1.00 0.00 O ATOM 808 CB VAL A 52 -1.706 3.301 -0.639 1.00 0.00 C ATOM 809 CG1 VAL A 52 -0.273 2.806 -0.734 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.325 2.921 0.704 1.00 0.00 C ATOM 0 H VAL A 52 -0.066 5.125 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.767 5.191 -0.941 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.296 2.823 -1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.250 1.727 -0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.130 3.045 -1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.331 3.291 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.286 1.839 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.768 3.400 1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.363 3.253 0.733 1.00 0.00 H new ATOM 820 N PRO A 53 -1.930 6.087 1.237 1.00 0.00 N ATOM 821 CA PRO A 53 -1.476 6.707 2.487 1.00 0.00 C ATOM 822 C PRO A 53 -1.383 5.658 3.596 1.00 0.00 C ATOM 823 O PRO A 53 -2.367 5.375 4.273 1.00 0.00 O ATOM 824 CB PRO A 53 -2.620 7.661 2.779 1.00 0.00 C ATOM 825 CG PRO A 53 -3.795 6.849 2.383 1.00 0.00 C ATOM 826 CD PRO A 53 -3.395 6.194 1.095 1.00 0.00 C ATOM 0 HA PRO A 53 -0.495 7.177 2.423 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.656 7.948 3.830 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.544 8.581 2.200 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.038 6.108 3.144 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.680 7.472 2.251 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.864 5.218 0.973 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.677 6.794 0.229 1.00 0.00 H new ATOM 834 N LYS A 54 -0.217 5.064 3.760 1.00 0.00 N ATOM 835 CA LYS A 54 -0.029 4.021 4.766 1.00 0.00 C ATOM 836 C LYS A 54 -0.138 4.560 6.188 1.00 0.00 C ATOM 837 O LYS A 54 -0.176 3.788 7.141 1.00 0.00 O ATOM 838 CB LYS A 54 1.301 3.293 4.567 1.00 0.00 C ATOM 839 CG LYS A 54 1.234 2.079 3.642 1.00 0.00 C ATOM 840 CD LYS A 54 -0.002 2.073 2.746 1.00 0.00 C ATOM 841 CE LYS A 54 -0.013 0.866 1.821 1.00 0.00 C ATOM 842 NZ LYS A 54 -0.587 -0.337 2.485 1.00 0.00 N ATOM 0 H LYS A 54 0.617 5.281 3.214 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.839 3.305 4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.029 3.998 4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.672 2.971 5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.127 2.056 3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.243 1.171 4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.900 2.068 3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.028 2.987 2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.592 1.099 0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.004 0.650 1.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.113 -1.191 2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.444 -0.268 3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.605 -0.394 2.280 1.00 0.00 H new ATOM 856 N ASN A 55 -0.186 5.879 6.337 1.00 0.00 N ATOM 857 CA ASN A 55 -0.299 6.492 7.661 1.00 0.00 C ATOM 858 C ASN A 55 -1.384 5.812 8.509 1.00 0.00 C ATOM 859 O ASN A 55 -1.372 5.910 9.735 1.00 0.00 O ATOM 860 CB ASN A 55 -0.609 7.984 7.523 1.00 0.00 C ATOM 861 CG ASN A 55 -0.624 8.699 8.860 1.00 0.00 C ATOM 862 OD1 ASN A 55 -1.673 8.844 9.488 1.00 0.00 O ATOM 863 ND2 ASN A 55 0.543 9.151 9.303 1.00 0.00 N ATOM 0 H ASN A 55 -0.149 6.544 5.564 1.00 0.00 H new ATOM 0 HA ASN A 55 0.656 6.362 8.169 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.134 8.448 6.875 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.577 8.107 7.037 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.594 9.640 10.196 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.388 9.009 8.750 1.00 0.00 H new ATOM 870 N TYR A 56 -2.318 5.120 7.851 1.00 0.00 N ATOM 871 CA TYR A 56 -3.399 4.426 8.550 1.00 0.00 C ATOM 872 C TYR A 56 -3.134 2.926 8.623 1.00 0.00 C ATOM 873 O TYR A 56 -4.026 2.147 8.943 1.00 0.00 O ATOM 874 CB TYR A 56 -4.733 4.682 7.841 1.00 0.00 C ATOM 875 CG TYR A 56 -4.942 3.871 6.577 1.00 0.00 C ATOM 876 CD1 TYR A 56 -5.431 2.570 6.630 1.00 0.00 C ATOM 877 CD2 TYR A 56 -4.660 4.412 5.329 1.00 0.00 C ATOM 878 CE1 TYR A 56 -5.630 1.834 5.477 1.00 0.00 C ATOM 879 CE2 TYR A 56 -4.856 3.682 4.172 1.00 0.00 C ATOM 880 CZ TYR A 56 -5.341 2.394 4.252 1.00 0.00 C ATOM 881 OH TYR A 56 -5.541 1.665 3.102 1.00 0.00 O ATOM 0 H TYR A 56 -2.346 5.026 6.836 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.447 4.816 9.567 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -5.545 4.465 8.535 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -4.800 5.741 7.593 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.659 2.127 7.588 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.281 5.421 5.262 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.010 0.825 5.536 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.630 4.118 3.210 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.289 2.205 2.324 1.00 0.00 H new ATOM 891 N VAL A 57 -1.912 2.534 8.306 1.00 0.00 N ATOM 892 CA VAL A 57 -1.523 1.133 8.305 1.00 0.00 C ATOM 893 C VAL A 57 -0.181 0.940 9.001 1.00 0.00 C ATOM 894 O VAL A 57 0.483 1.906 9.375 1.00 0.00 O ATOM 895 CB VAL A 57 -1.400 0.607 6.852 1.00 0.00 C ATOM 896 CG1 VAL A 57 -2.355 1.333 5.919 1.00 0.00 C ATOM 897 CG2 VAL A 57 0.020 0.740 6.328 1.00 0.00 C ATOM 0 H VAL A 57 -1.163 3.175 8.043 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.294 0.579 8.840 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.665 -0.450 6.877 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.244 0.941 4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.380 1.181 6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.127 2.399 5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.068 0.361 5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.316 1.789 6.340 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.697 0.165 6.960 1.00 0.00 H new ATOM 907 N VAL A 58 0.234 -0.314 9.118 1.00 0.00 N ATOM 908 CA VAL A 58 1.523 -0.634 9.706 1.00 0.00 C ATOM 909 C VAL A 58 2.465 -1.088 8.597 1.00 0.00 C ATOM 910 O VAL A 58 2.250 -2.131 7.979 1.00 0.00 O ATOM 911 CB VAL A 58 1.408 -1.735 10.780 1.00 0.00 C ATOM 912 CG1 VAL A 58 0.850 -3.018 10.183 1.00 0.00 C ATOM 913 CG2 VAL A 58 2.758 -1.987 11.436 1.00 0.00 C ATOM 0 H VAL A 58 -0.305 -1.125 8.813 1.00 0.00 H new ATOM 0 HA VAL A 58 1.911 0.258 10.198 1.00 0.00 H new ATOM 0 HB VAL A 58 0.714 -1.391 11.547 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.778 -3.780 10.960 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.140 -2.826 9.770 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.512 -3.369 9.391 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.656 -2.767 12.191 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.476 -2.305 10.680 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.110 -1.070 11.908 1.00 0.00 H new ATOM 923 N VAL A 59 3.488 -0.287 8.324 1.00 0.00 N ATOM 924 CA VAL A 59 4.432 -0.601 7.259 1.00 0.00 C ATOM 925 C VAL A 59 5.364 -1.738 7.632 1.00 0.00 C ATOM 926 O VAL A 59 5.757 -1.896 8.788 1.00 0.00 O ATOM 927 CB VAL A 59 5.280 0.615 6.852 1.00 0.00 C ATOM 928 CG1 VAL A 59 6.111 0.284 5.618 1.00 0.00 C ATOM 929 CG2 VAL A 59 4.391 1.823 6.600 1.00 0.00 C ATOM 0 H VAL A 59 3.684 0.581 8.823 1.00 0.00 H new ATOM 0 HA VAL A 59 3.816 -0.906 6.413 1.00 0.00 H new ATOM 0 HB VAL A 59 5.959 0.861 7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.708 1.152 5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.771 -0.555 5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.449 0.018 4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.007 2.675 6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.688 1.597 5.798 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.839 2.064 7.508 1.00 0.00 H new ATOM 939 N LEU A 60 5.723 -2.515 6.624 1.00 0.00 N ATOM 940 CA LEU A 60 6.612 -3.627 6.782 1.00 0.00 C ATOM 941 C LEU A 60 8.015 -3.209 6.365 1.00 0.00 C ATOM 942 O LEU A 60 8.207 -2.217 5.663 1.00 0.00 O ATOM 943 CB LEU A 60 6.121 -4.809 5.939 1.00 0.00 C ATOM 944 CG LEU A 60 5.618 -6.022 6.727 1.00 0.00 C ATOM 945 CD1 LEU A 60 4.778 -5.583 7.917 1.00 0.00 C ATOM 946 CD2 LEU A 60 4.816 -6.946 5.820 1.00 0.00 C ATOM 0 H LEU A 60 5.396 -2.380 5.667 1.00 0.00 H new ATOM 0 HA LEU A 60 6.634 -3.940 7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.317 -4.460 5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.935 -5.132 5.290 1.00 0.00 H new ATOM 0 HG LEU A 60 6.482 -6.568 7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.432 -6.461 8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.381 -4.960 8.578 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.919 -5.012 7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.465 -7.804 6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.961 -6.406 5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.448 -7.291 5.002 1.00 0.00 H new ATOM 958 N SER A 61 8.979 -3.969 6.812 1.00 0.00 N ATOM 959 CA SER A 61 10.382 -3.706 6.512 1.00 0.00 C ATOM 960 C SER A 61 10.801 -2.332 7.022 1.00 0.00 C ATOM 961 O SER A 61 9.957 -1.649 7.642 1.00 0.00 O ATOM 962 CB SER A 61 10.630 -3.801 5.006 1.00 0.00 C ATOM 963 OG SER A 61 12.003 -4.009 4.726 1.00 0.00 O ATOM 964 OXT SER A 61 11.968 -1.948 6.798 1.00 0.00 O ATOM 0 H SER A 61 8.825 -4.791 7.396 1.00 0.00 H new ATOM 0 HA SER A 61 10.983 -4.460 7.021 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.043 -4.619 4.589 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.291 -2.886 4.520 1.00 0.00 H new ATOM 0 HG SER A 61 12.546 -3.429 5.301 1.00 0.00 H new TER 970 SER A 61