USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 428 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 50 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 52 THR OG1 : rot -27:sc= -0.111! USER MOD Set 2.1: A 17 THR OG1 : rot -172:sc= -2.06! USER MOD Set 2.2: A 34 TYR OH : rot -130:sc= -0.178 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= 0.0715 (180deg=0.035) USER MOD Single : A 2 THR OG1 : rot 126:sc= 1.15 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.144 K(o=-0.14,f=-0.66) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 26 THR OG1 : rot -160:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0922 X(o=-0.092,f=-0.092) USER MOD Single : A 36 ASN : amide:sc= -0.61 K(o=-0.61,f=-2.5!) USER MOD Single : A 38 ASN : amide:sc= 0.695 K(o=0.7,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 46 TYR OH : rot 180:sc= -2.64 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -11:sc= -0.379! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.730 1.626 3.138 1.00 0.00 N ATOM 2 CA MET A 1 -15.666 2.107 2.209 1.00 0.00 C ATOM 3 C MET A 1 -14.818 0.929 1.722 1.00 0.00 C ATOM 4 O MET A 1 -15.110 -0.217 2.007 1.00 0.00 O ATOM 5 CB MET A 1 -14.818 3.074 3.041 1.00 0.00 C ATOM 6 CG MET A 1 -15.158 4.518 2.663 1.00 0.00 C ATOM 7 SD MET A 1 -16.630 5.049 3.572 1.00 0.00 S ATOM 8 CE MET A 1 -17.072 6.436 2.495 1.00 0.00 C ATOM 0 H1 MET A 1 -17.143 2.436 3.643 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.473 1.142 2.594 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.317 0.964 3.826 1.00 0.00 H new ATOM 0 HA MET A 1 -16.079 2.589 1.322 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.003 2.913 4.103 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.759 2.883 2.870 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.318 5.173 2.895 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.334 4.593 1.590 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.972 6.920 2.875 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.254 7.156 2.475 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.257 6.068 1.486 1.00 0.00 H new ATOM 20 N THR A 2 -13.770 1.207 0.988 1.00 0.00 N ATOM 21 CA THR A 2 -12.894 0.113 0.474 1.00 0.00 C ATOM 22 C THR A 2 -11.610 0.027 1.304 1.00 0.00 C ATOM 23 O THR A 2 -10.781 0.916 1.272 1.00 0.00 O ATOM 24 CB THR A 2 -12.577 0.509 -0.968 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.790 0.673 -1.689 1.00 0.00 O ATOM 26 CG2 THR A 2 -11.734 -0.584 -1.626 1.00 0.00 C ATOM 0 H THR A 2 -13.483 2.149 0.722 1.00 0.00 H new ATOM 0 HA THR A 2 -13.373 -0.864 0.534 1.00 0.00 H new ATOM 0 HB THR A 2 -12.020 1.446 -0.974 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.807 1.561 -2.103 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.509 -0.300 -2.654 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.804 -0.709 -1.072 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.288 -1.523 -1.622 1.00 0.00 H new ATOM 34 N THR A 3 -11.447 -1.037 2.047 1.00 0.00 N ATOM 35 CA THR A 3 -10.227 -1.191 2.884 1.00 0.00 C ATOM 36 C THR A 3 -9.115 -1.894 2.093 1.00 0.00 C ATOM 37 O THR A 3 -9.098 -3.104 1.962 1.00 0.00 O ATOM 38 CB THR A 3 -10.661 -2.031 4.095 1.00 0.00 C ATOM 39 OG1 THR A 3 -9.541 -2.236 4.945 1.00 0.00 O ATOM 40 CG2 THR A 3 -11.211 -3.389 3.642 1.00 0.00 C ATOM 0 H THR A 3 -12.112 -1.808 2.108 1.00 0.00 H new ATOM 0 HA THR A 3 -9.823 -0.227 3.194 1.00 0.00 H new ATOM 0 HB THR A 3 -11.447 -1.498 4.631 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.812 -2.770 5.720 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.513 -3.969 4.514 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.073 -3.234 2.993 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.439 -3.931 3.096 1.00 0.00 H new ATOM 48 N PHE A 4 -8.184 -1.138 1.566 1.00 0.00 N ATOM 49 CA PHE A 4 -7.067 -1.750 0.784 1.00 0.00 C ATOM 50 C PHE A 4 -5.996 -2.294 1.737 1.00 0.00 C ATOM 51 O PHE A 4 -6.092 -2.141 2.940 1.00 0.00 O ATOM 52 CB PHE A 4 -6.502 -0.609 -0.064 1.00 0.00 C ATOM 53 CG PHE A 4 -7.505 -0.210 -1.120 1.00 0.00 C ATOM 54 CD1 PHE A 4 -7.591 -0.933 -2.316 1.00 0.00 C ATOM 55 CD2 PHE A 4 -8.343 0.890 -0.904 1.00 0.00 C ATOM 56 CE1 PHE A 4 -8.518 -0.555 -3.295 1.00 0.00 C ATOM 57 CE2 PHE A 4 -9.269 1.267 -1.884 1.00 0.00 C ATOM 58 CZ PHE A 4 -9.356 0.544 -3.079 1.00 0.00 C ATOM 0 H PHE A 4 -8.150 -0.122 1.644 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.401 -2.585 0.168 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.268 0.246 0.570 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.570 -0.921 -0.535 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.943 -1.781 -2.483 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.275 1.448 0.018 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.586 -1.112 -4.218 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.916 2.116 -1.718 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.071 0.835 -3.835 1.00 0.00 H new ATOM 68 N LYS A 5 -4.978 -2.926 1.208 1.00 0.00 N ATOM 69 CA LYS A 5 -3.897 -3.483 2.080 1.00 0.00 C ATOM 70 C LYS A 5 -2.530 -3.302 1.412 1.00 0.00 C ATOM 71 O LYS A 5 -2.229 -3.937 0.420 1.00 0.00 O ATOM 72 CB LYS A 5 -4.228 -4.970 2.222 1.00 0.00 C ATOM 73 CG LYS A 5 -4.914 -5.222 3.567 1.00 0.00 C ATOM 74 CD LYS A 5 -5.143 -6.724 3.749 1.00 0.00 C ATOM 75 CE LYS A 5 -6.155 -6.955 4.874 1.00 0.00 C ATOM 76 NZ LYS A 5 -5.656 -8.157 5.599 1.00 0.00 N ATOM 0 H LYS A 5 -4.848 -3.081 0.208 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.848 -2.981 3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.878 -5.287 1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.316 -5.563 2.151 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.298 -4.836 4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.865 -4.691 3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.510 -7.162 2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.202 -7.220 3.985 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.214 -6.091 5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.156 -7.121 4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.298 -8.379 6.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.617 -8.965 4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.704 -7.967 5.972 1.00 0.00 H new ATOM 90 N LEU A 6 -1.703 -2.441 1.950 1.00 0.00 N ATOM 91 CA LEU A 6 -0.355 -2.214 1.349 1.00 0.00 C ATOM 92 C LEU A 6 0.689 -3.108 2.023 1.00 0.00 C ATOM 93 O LEU A 6 1.028 -2.906 3.175 1.00 0.00 O ATOM 94 CB LEU A 6 -0.036 -0.735 1.636 1.00 0.00 C ATOM 95 CG LEU A 6 0.884 -0.084 0.560 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.879 0.850 1.258 1.00 0.00 C ATOM 97 CD2 LEU A 6 1.683 -1.122 -0.256 1.00 0.00 C ATOM 0 H LEU A 6 -1.905 -1.885 2.781 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.341 -2.446 0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.969 -0.174 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.445 -0.657 2.611 1.00 0.00 H new ATOM 0 HG LEU A 6 0.238 0.456 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.528 1.311 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.334 1.626 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.483 0.278 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.305 -0.608 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.317 -1.702 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.992 -1.790 -0.771 1.00 0.00 H new ATOM 109 N ILE A 7 1.217 -4.079 1.315 1.00 0.00 N ATOM 110 CA ILE A 7 2.258 -4.962 1.926 1.00 0.00 C ATOM 111 C ILE A 7 3.495 -4.107 2.249 1.00 0.00 C ATOM 112 O ILE A 7 3.573 -2.960 1.848 1.00 0.00 O ATOM 113 CB ILE A 7 2.534 -6.064 0.869 1.00 0.00 C ATOM 114 CG1 ILE A 7 2.925 -7.361 1.582 1.00 0.00 C ATOM 115 CG2 ILE A 7 3.659 -5.669 -0.101 1.00 0.00 C ATOM 116 CD1 ILE A 7 1.709 -7.929 2.315 1.00 0.00 C ATOM 0 H ILE A 7 0.974 -4.296 0.348 1.00 0.00 H new ATOM 0 HA ILE A 7 1.953 -5.427 2.864 1.00 0.00 H new ATOM 0 HB ILE A 7 1.622 -6.199 0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.299 -8.087 0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.732 -7.170 2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.816 -6.471 -0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.381 -4.756 -0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.579 -5.499 0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.989 -8.852 2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.355 -7.205 3.049 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.915 -8.135 1.597 1.00 0.00 H new ATOM 128 N ILE A 8 4.450 -4.642 2.965 1.00 0.00 N ATOM 129 CA ILE A 8 5.660 -3.832 3.297 1.00 0.00 C ATOM 130 C ILE A 8 6.939 -4.628 3.021 1.00 0.00 C ATOM 131 O ILE A 8 7.605 -5.080 3.934 1.00 0.00 O ATOM 132 CB ILE A 8 5.532 -3.508 4.789 1.00 0.00 C ATOM 133 CG1 ILE A 8 4.218 -2.763 5.052 1.00 0.00 C ATOM 134 CG2 ILE A 8 6.702 -2.625 5.222 1.00 0.00 C ATOM 135 CD1 ILE A 8 4.000 -2.630 6.560 1.00 0.00 C ATOM 0 H ILE A 8 4.446 -5.594 3.331 1.00 0.00 H new ATOM 0 HA ILE A 8 5.722 -2.929 2.690 1.00 0.00 H new ATOM 0 HB ILE A 8 5.541 -4.439 5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.248 -1.776 4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.385 -3.302 4.600 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.611 -2.395 6.283 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.640 -3.151 5.044 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.691 -1.699 4.647 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.066 -2.100 6.747 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.951 -3.622 7.009 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.827 -2.073 6.999 1.00 0.00 H new ATOM 147 N ASN A 9 7.299 -4.784 1.771 1.00 0.00 N ATOM 148 CA ASN A 9 8.551 -5.528 1.443 1.00 0.00 C ATOM 149 C ASN A 9 9.687 -4.520 1.256 1.00 0.00 C ATOM 150 O ASN A 9 10.411 -4.549 0.279 1.00 0.00 O ATOM 151 CB ASN A 9 8.253 -6.278 0.139 1.00 0.00 C ATOM 152 CG ASN A 9 8.177 -7.783 0.411 1.00 0.00 C ATOM 153 OD1 ASN A 9 8.969 -8.318 1.160 1.00 0.00 O ATOM 154 ND2 ASN A 9 7.249 -8.491 -0.173 1.00 0.00 N ATOM 0 H ASN A 9 6.781 -4.429 0.967 1.00 0.00 H new ATOM 0 HA ASN A 9 8.853 -6.223 2.226 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.312 -5.928 -0.285 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.031 -6.071 -0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.189 -9.494 -0.000 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.584 -8.041 -0.802 1.00 0.00 H new ATOM 161 N GLY A 10 9.830 -3.620 2.195 1.00 0.00 N ATOM 162 CA GLY A 10 10.897 -2.583 2.101 1.00 0.00 C ATOM 163 C GLY A 10 11.969 -2.842 3.157 1.00 0.00 C ATOM 164 O GLY A 10 11.736 -3.525 4.136 1.00 0.00 O ATOM 0 H GLY A 10 9.247 -3.560 3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.343 -2.597 1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.466 -1.592 2.243 1.00 0.00 H new ATOM 168 N LYS A 11 13.136 -2.282 2.970 1.00 0.00 N ATOM 169 CA LYS A 11 14.228 -2.470 3.969 1.00 0.00 C ATOM 170 C LYS A 11 14.037 -1.517 5.160 1.00 0.00 C ATOM 171 O LYS A 11 14.822 -1.519 6.089 1.00 0.00 O ATOM 172 CB LYS A 11 15.518 -2.135 3.218 1.00 0.00 C ATOM 173 CG LYS A 11 16.725 -2.527 4.073 1.00 0.00 C ATOM 174 CD LYS A 11 17.948 -2.717 3.174 1.00 0.00 C ATOM 175 CE LYS A 11 19.189 -2.951 4.039 1.00 0.00 C ATOM 176 NZ LYS A 11 19.763 -1.595 4.263 1.00 0.00 N ATOM 0 H LYS A 11 13.379 -1.702 2.167 1.00 0.00 H new ATOM 0 HA LYS A 11 14.242 -3.482 4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.545 -2.666 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.552 -1.070 2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.923 -1.755 4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.515 -3.447 4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 11 17.793 -3.564 2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.091 -1.838 2.546 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.928 -3.430 4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 11 19.903 -3.604 3.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 20.619 -1.673 4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.008 -1.166 3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 19.064 -0.998 4.749 1.00 0.00 H new ATOM 190 N THR A 12 13.000 -0.704 5.146 1.00 0.00 N ATOM 191 CA THR A 12 12.769 0.237 6.279 1.00 0.00 C ATOM 192 C THR A 12 11.667 -0.304 7.190 1.00 0.00 C ATOM 193 O THR A 12 11.678 -0.082 8.387 1.00 0.00 O ATOM 194 CB THR A 12 12.330 1.547 5.624 1.00 0.00 C ATOM 195 OG1 THR A 12 13.164 1.817 4.506 1.00 0.00 O ATOM 196 CG2 THR A 12 12.442 2.689 6.636 1.00 0.00 C ATOM 0 H THR A 12 12.309 -0.657 4.397 1.00 0.00 H new ATOM 0 HA THR A 12 13.658 0.371 6.896 1.00 0.00 H new ATOM 0 HB THR A 12 11.295 1.460 5.293 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.883 2.655 4.083 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.129 3.622 6.168 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.801 2.480 7.493 1.00 0.00 H new ATOM 0 HG23 THR A 12 13.476 2.780 6.969 1.00 0.00 H new ATOM 204 N LEU A 13 10.714 -1.012 6.633 1.00 0.00 N ATOM 205 CA LEU A 13 9.609 -1.567 7.473 1.00 0.00 C ATOM 206 C LEU A 13 9.168 -2.935 6.940 1.00 0.00 C ATOM 207 O LEU A 13 9.577 -3.355 5.874 1.00 0.00 O ATOM 208 CB LEU A 13 8.476 -0.546 7.357 1.00 0.00 C ATOM 209 CG LEU A 13 7.761 -0.418 8.703 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.490 0.608 9.573 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.320 0.042 8.473 1.00 0.00 C ATOM 0 H LEU A 13 10.654 -1.228 5.638 1.00 0.00 H new ATOM 0 HA LEU A 13 9.913 -1.721 8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.875 0.422 7.052 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.770 -0.857 6.587 1.00 0.00 H new ATOM 0 HG LEU A 13 7.759 -1.385 9.206 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.980 0.699 10.532 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.517 0.282 9.737 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.493 1.575 9.070 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.810 0.133 9.432 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.323 1.009 7.970 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.800 -0.688 7.853 1.00 0.00 H new ATOM 223 N LYS A 14 8.342 -3.631 7.681 1.00 0.00 N ATOM 224 CA LYS A 14 7.871 -4.976 7.230 1.00 0.00 C ATOM 225 C LYS A 14 6.510 -5.302 7.855 1.00 0.00 C ATOM 226 O LYS A 14 6.248 -4.970 8.996 1.00 0.00 O ATOM 227 CB LYS A 14 8.937 -5.954 7.729 1.00 0.00 C ATOM 228 CG LYS A 14 8.898 -7.229 6.885 1.00 0.00 C ATOM 229 CD LYS A 14 10.291 -7.865 6.850 1.00 0.00 C ATOM 230 CE LYS A 14 10.384 -8.957 7.918 1.00 0.00 C ATOM 231 NZ LYS A 14 11.817 -9.362 7.929 1.00 0.00 N ATOM 0 H LYS A 14 7.973 -3.324 8.581 1.00 0.00 H new ATOM 0 HA LYS A 14 7.742 -5.026 6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.924 -5.495 7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.762 -6.194 8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.177 -7.932 7.303 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.568 -6.997 5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.484 -8.289 5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.053 -7.106 7.025 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.072 -8.583 8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.737 -9.801 7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.961 -10.109 8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.084 -9.720 6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.408 -8.540 8.167 1.00 0.00 H new ATOM 245 N GLY A 15 5.644 -5.949 7.113 1.00 0.00 N ATOM 246 CA GLY A 15 4.299 -6.299 7.656 1.00 0.00 C ATOM 247 C GLY A 15 3.214 -5.807 6.695 1.00 0.00 C ATOM 248 O GLY A 15 3.484 -5.488 5.553 1.00 0.00 O ATOM 0 H GLY A 15 5.813 -6.249 6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.219 -7.378 7.789 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.163 -5.845 8.638 1.00 0.00 H new ATOM 252 N GLU A 16 1.988 -5.746 7.152 1.00 0.00 N ATOM 253 CA GLU A 16 0.875 -5.276 6.271 1.00 0.00 C ATOM 254 C GLU A 16 0.213 -4.031 6.869 1.00 0.00 C ATOM 255 O GLU A 16 0.104 -3.894 8.073 1.00 0.00 O ATOM 256 CB GLU A 16 -0.115 -6.440 6.229 1.00 0.00 C ATOM 257 CG GLU A 16 -1.249 -6.114 5.254 1.00 0.00 C ATOM 258 CD GLU A 16 -1.721 -7.399 4.572 1.00 0.00 C ATOM 259 OE1 GLU A 16 -2.166 -8.290 5.277 1.00 0.00 O ATOM 260 OE2 GLU A 16 -1.630 -7.470 3.358 1.00 0.00 O ATOM 0 H GLU A 16 1.710 -6.002 8.099 1.00 0.00 H new ATOM 0 HA GLU A 16 1.226 -5.001 5.276 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.394 -7.353 5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.519 -6.623 7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.078 -5.647 5.786 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.906 -5.398 4.507 1.00 0.00 H new ATOM 267 N THR A 17 -0.228 -3.125 6.033 1.00 0.00 N ATOM 268 CA THR A 17 -0.887 -1.885 6.543 1.00 0.00 C ATOM 269 C THR A 17 -2.305 -1.768 5.977 1.00 0.00 C ATOM 270 O THR A 17 -2.569 -2.165 4.857 1.00 0.00 O ATOM 271 CB THR A 17 -0.015 -0.734 6.037 1.00 0.00 C ATOM 272 OG1 THR A 17 1.354 -1.049 6.250 1.00 0.00 O ATOM 273 CG2 THR A 17 -0.370 0.547 6.792 1.00 0.00 C ATOM 0 H THR A 17 -0.160 -3.191 5.017 1.00 0.00 H new ATOM 0 HA THR A 17 -0.976 -1.884 7.629 1.00 0.00 H new ATOM 0 HB THR A 17 -0.191 -0.585 4.972 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.906 -0.266 6.045 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.252 1.366 6.431 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.420 0.788 6.626 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.195 0.401 7.858 1.00 0.00 H new ATOM 281 N THR A 18 -3.216 -1.225 6.744 1.00 0.00 N ATOM 282 CA THR A 18 -4.621 -1.076 6.258 1.00 0.00 C ATOM 283 C THR A 18 -5.108 0.358 6.482 1.00 0.00 C ATOM 284 O THR A 18 -4.489 1.128 7.192 1.00 0.00 O ATOM 285 CB THR A 18 -5.439 -2.061 7.096 1.00 0.00 C ATOM 286 OG1 THR A 18 -5.202 -1.816 8.475 1.00 0.00 O ATOM 287 CG2 THR A 18 -5.027 -3.493 6.751 1.00 0.00 C ATOM 0 H THR A 18 -3.047 -0.878 7.688 1.00 0.00 H new ATOM 0 HA THR A 18 -4.713 -1.278 5.191 1.00 0.00 H new ATOM 0 HB THR A 18 -6.499 -1.930 6.880 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.726 -2.445 9.014 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.610 -4.193 7.349 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.210 -3.679 5.693 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.967 -3.628 6.966 1.00 0.00 H new ATOM 295 N THR A 19 -6.212 0.719 5.879 1.00 0.00 N ATOM 296 CA THR A 19 -6.748 2.104 6.049 1.00 0.00 C ATOM 297 C THR A 19 -8.185 2.186 5.524 1.00 0.00 C ATOM 298 O THR A 19 -8.740 1.209 5.057 1.00 0.00 O ATOM 299 CB THR A 19 -5.817 3.003 5.224 1.00 0.00 C ATOM 300 OG1 THR A 19 -6.270 4.347 5.304 1.00 0.00 O ATOM 301 CG2 THR A 19 -5.812 2.553 3.759 1.00 0.00 C ATOM 0 H THR A 19 -6.767 0.113 5.275 1.00 0.00 H new ATOM 0 HA THR A 19 -6.777 2.407 7.096 1.00 0.00 H new ATOM 0 HB THR A 19 -4.805 2.930 5.621 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.676 4.924 4.779 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.148 3.198 3.183 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.462 1.523 3.696 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.822 2.618 3.355 1.00 0.00 H new ATOM 309 N GLU A 20 -8.787 3.346 5.597 1.00 0.00 N ATOM 310 CA GLU A 20 -10.187 3.502 5.103 1.00 0.00 C ATOM 311 C GLU A 20 -10.214 4.404 3.866 1.00 0.00 C ATOM 312 O GLU A 20 -10.144 5.615 3.970 1.00 0.00 O ATOM 313 CB GLU A 20 -10.946 4.153 6.260 1.00 0.00 C ATOM 314 CG GLU A 20 -12.435 4.227 5.917 1.00 0.00 C ATOM 315 CD GLU A 20 -13.219 4.695 7.144 1.00 0.00 C ATOM 316 OE1 GLU A 20 -13.343 3.917 8.075 1.00 0.00 O ATOM 317 OE2 GLU A 20 -13.682 5.824 7.131 1.00 0.00 O ATOM 0 H GLU A 20 -8.367 4.194 5.979 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.630 2.550 4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.801 3.577 7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.555 5.153 6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.594 4.915 5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.794 3.250 5.594 1.00 0.00 H new ATOM 324 N ALA A 21 -10.314 3.821 2.699 1.00 0.00 N ATOM 325 CA ALA A 21 -10.347 4.636 1.448 1.00 0.00 C ATOM 326 C ALA A 21 -11.547 4.235 0.587 1.00 0.00 C ATOM 327 O ALA A 21 -11.943 3.084 0.561 1.00 0.00 O ATOM 328 CB ALA A 21 -9.038 4.310 0.728 1.00 0.00 C ATOM 0 H ALA A 21 -10.374 2.813 2.559 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.445 5.702 1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.986 4.872 -0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.195 4.583 1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.998 3.243 0.511 1.00 0.00 H new ATOM 334 N VAL A 22 -12.127 5.175 -0.116 1.00 0.00 N ATOM 335 CA VAL A 22 -13.305 4.852 -0.979 1.00 0.00 C ATOM 336 C VAL A 22 -12.864 4.007 -2.183 1.00 0.00 C ATOM 337 O VAL A 22 -13.640 3.247 -2.731 1.00 0.00 O ATOM 338 CB VAL A 22 -13.869 6.209 -1.427 1.00 0.00 C ATOM 339 CG1 VAL A 22 -12.807 6.995 -2.201 1.00 0.00 C ATOM 340 CG2 VAL A 22 -15.089 5.986 -2.326 1.00 0.00 C ATOM 0 H VAL A 22 -11.836 6.152 -0.130 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.058 4.268 -0.449 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.160 6.778 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.220 7.955 -2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.941 7.163 -1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.504 6.428 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.488 6.949 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.794 5.409 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.854 5.441 -1.773 1.00 0.00 H new ATOM 350 N ASP A 23 -11.624 4.130 -2.592 1.00 0.00 N ATOM 351 CA ASP A 23 -11.131 3.330 -3.756 1.00 0.00 C ATOM 352 C ASP A 23 -9.610 3.463 -3.892 1.00 0.00 C ATOM 353 O ASP A 23 -8.969 4.167 -3.135 1.00 0.00 O ATOM 354 CB ASP A 23 -11.841 3.902 -4.991 1.00 0.00 C ATOM 355 CG ASP A 23 -11.609 5.415 -5.094 1.00 0.00 C ATOM 356 OD1 ASP A 23 -10.491 5.845 -4.864 1.00 0.00 O ATOM 357 OD2 ASP A 23 -12.557 6.119 -5.402 1.00 0.00 O ATOM 0 H ASP A 23 -10.933 4.750 -2.170 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.345 2.268 -3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.471 3.410 -5.890 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.910 3.696 -4.931 1.00 0.00 H new ATOM 362 N ALA A 24 -9.032 2.780 -4.848 1.00 0.00 N ATOM 363 CA ALA A 24 -7.551 2.842 -5.043 1.00 0.00 C ATOM 364 C ALA A 24 -7.079 4.288 -5.239 1.00 0.00 C ATOM 365 O ALA A 24 -5.942 4.618 -4.958 1.00 0.00 O ATOM 366 CB ALA A 24 -7.275 2.018 -6.303 1.00 0.00 C ATOM 0 H ALA A 24 -9.526 2.178 -5.506 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.018 2.457 -4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.205 2.018 -6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.615 0.994 -6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.808 2.455 -7.147 1.00 0.00 H new ATOM 372 N ALA A 25 -7.940 5.150 -5.722 1.00 0.00 N ATOM 373 CA ALA A 25 -7.537 6.577 -5.941 1.00 0.00 C ATOM 374 C ALA A 25 -7.081 7.210 -4.622 1.00 0.00 C ATOM 375 O ALA A 25 -6.132 7.971 -4.586 1.00 0.00 O ATOM 376 CB ALA A 25 -8.793 7.278 -6.465 1.00 0.00 C ATOM 0 H ALA A 25 -8.903 4.929 -5.974 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.705 6.662 -6.640 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.573 8.330 -6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.112 6.806 -7.395 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.590 7.198 -5.726 1.00 0.00 H new ATOM 382 N THR A 26 -7.751 6.898 -3.542 1.00 0.00 N ATOM 383 CA THR A 26 -7.363 7.475 -2.220 1.00 0.00 C ATOM 384 C THR A 26 -6.428 6.513 -1.480 1.00 0.00 C ATOM 385 O THR A 26 -5.589 6.926 -0.703 1.00 0.00 O ATOM 386 CB THR A 26 -8.679 7.639 -1.458 1.00 0.00 C ATOM 387 OG1 THR A 26 -9.620 8.312 -2.284 1.00 0.00 O ATOM 388 CG2 THR A 26 -8.438 8.454 -0.186 1.00 0.00 C ATOM 0 H THR A 26 -8.552 6.267 -3.519 1.00 0.00 H new ATOM 0 HA THR A 26 -6.831 8.421 -2.320 1.00 0.00 H new ATOM 0 HB THR A 26 -9.068 6.657 -1.187 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.328 8.698 -1.726 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.377 8.570 0.355 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.716 7.937 0.446 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.049 9.437 -0.452 1.00 0.00 H new ATOM 396 N ALA A 27 -6.570 5.234 -1.720 1.00 0.00 N ATOM 397 CA ALA A 27 -5.692 4.235 -1.034 1.00 0.00 C ATOM 398 C ALA A 27 -4.225 4.482 -1.397 1.00 0.00 C ATOM 399 O ALA A 27 -3.386 4.664 -0.534 1.00 0.00 O ATOM 400 CB ALA A 27 -6.149 2.870 -1.554 1.00 0.00 C ATOM 0 H ALA A 27 -7.256 4.837 -2.362 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.768 4.301 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.548 2.086 -1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.199 2.718 -1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.026 2.833 -2.636 1.00 0.00 H new ATOM 406 N GLU A 28 -3.913 4.488 -2.668 1.00 0.00 N ATOM 407 CA GLU A 28 -2.498 4.722 -3.097 1.00 0.00 C ATOM 408 C GLU A 28 -2.031 6.109 -2.652 1.00 0.00 C ATOM 409 O GLU A 28 -0.896 6.289 -2.268 1.00 0.00 O ATOM 410 CB GLU A 28 -2.517 4.629 -4.625 1.00 0.00 C ATOM 411 CG GLU A 28 -1.093 4.410 -5.141 1.00 0.00 C ATOM 412 CD GLU A 28 -1.028 4.766 -6.627 1.00 0.00 C ATOM 413 OE1 GLU A 28 -1.125 5.941 -6.940 1.00 0.00 O ATOM 414 OE2 GLU A 28 -0.882 3.857 -7.428 1.00 0.00 O ATOM 0 H GLU A 28 -4.576 4.341 -3.429 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.813 3.998 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.160 3.808 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.933 5.542 -5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.392 5.026 -4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.796 3.372 -4.992 1.00 0.00 H new ATOM 421 N LYS A 29 -2.898 7.089 -2.700 1.00 0.00 N ATOM 422 CA LYS A 29 -2.496 8.470 -2.277 1.00 0.00 C ATOM 423 C LYS A 29 -2.005 8.462 -0.825 1.00 0.00 C ATOM 424 O LYS A 29 -1.022 9.096 -0.491 1.00 0.00 O ATOM 425 CB LYS A 29 -3.762 9.318 -2.410 1.00 0.00 C ATOM 426 CG LYS A 29 -3.430 10.781 -2.110 1.00 0.00 C ATOM 427 CD LYS A 29 -4.726 11.564 -1.894 1.00 0.00 C ATOM 428 CE LYS A 29 -4.429 12.828 -1.085 1.00 0.00 C ATOM 429 NZ LYS A 29 -5.321 13.873 -1.662 1.00 0.00 N ATOM 0 H LYS A 29 -3.864 6.995 -3.012 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.680 8.861 -2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.170 9.226 -3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.527 8.959 -1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.800 10.848 -1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.865 11.213 -2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.168 11.829 -2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.454 10.946 -1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.634 12.676 -0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.380 13.113 -1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.175 14.771 -1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.099 14.001 -2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.313 13.577 -1.561 1.00 0.00 H new ATOM 443 N VAL A 30 -2.681 7.742 0.035 1.00 0.00 N ATOM 444 CA VAL A 30 -2.256 7.681 1.466 1.00 0.00 C ATOM 445 C VAL A 30 -1.118 6.668 1.627 1.00 0.00 C ATOM 446 O VAL A 30 -0.140 6.924 2.305 1.00 0.00 O ATOM 447 CB VAL A 30 -3.504 7.226 2.232 1.00 0.00 C ATOM 448 CG1 VAL A 30 -3.176 7.069 3.720 1.00 0.00 C ATOM 449 CG2 VAL A 30 -4.609 8.270 2.066 1.00 0.00 C ATOM 0 H VAL A 30 -3.510 7.193 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.885 8.638 1.834 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.838 6.267 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.068 6.746 4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.389 6.325 3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.838 8.025 4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.498 7.949 2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.268 9.227 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.850 8.379 1.009 1.00 0.00 H new ATOM 459 N PHE A 31 -1.243 5.521 1.009 1.00 0.00 N ATOM 460 CA PHE A 31 -0.172 4.485 1.125 1.00 0.00 C ATOM 461 C PHE A 31 1.115 4.980 0.464 1.00 0.00 C ATOM 462 O PHE A 31 2.203 4.719 0.942 1.00 0.00 O ATOM 463 CB PHE A 31 -0.718 3.252 0.399 1.00 0.00 C ATOM 464 CG PHE A 31 -1.632 2.478 1.325 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.201 2.127 2.613 1.00 0.00 C ATOM 466 CD2 PHE A 31 -2.912 2.109 0.894 1.00 0.00 C ATOM 467 CE1 PHE A 31 -2.048 1.410 3.465 1.00 0.00 C ATOM 468 CE2 PHE A 31 -3.758 1.392 1.748 1.00 0.00 C ATOM 469 CZ PHE A 31 -3.327 1.043 3.033 1.00 0.00 C ATOM 0 H PHE A 31 -2.040 5.257 0.429 1.00 0.00 H new ATOM 0 HA PHE A 31 0.072 4.261 2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.263 3.556 -0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.105 2.617 0.070 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.214 2.411 2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.246 2.378 -0.097 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.715 1.140 4.456 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.745 1.108 1.415 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.982 0.491 3.691 1.00 0.00 H new ATOM 479 N LYS A 32 1.001 5.702 -0.624 1.00 0.00 N ATOM 480 CA LYS A 32 2.225 6.225 -1.305 1.00 0.00 C ATOM 481 C LYS A 32 2.951 7.187 -0.363 1.00 0.00 C ATOM 482 O LYS A 32 4.154 7.118 -0.194 1.00 0.00 O ATOM 483 CB LYS A 32 1.724 6.961 -2.551 1.00 0.00 C ATOM 484 CG LYS A 32 2.916 7.500 -3.345 1.00 0.00 C ATOM 485 CD LYS A 32 3.286 6.509 -4.451 1.00 0.00 C ATOM 486 CE LYS A 32 4.478 7.049 -5.244 1.00 0.00 C ATOM 487 NZ LYS A 32 5.679 6.500 -4.555 1.00 0.00 N ATOM 0 H LYS A 32 0.117 5.951 -1.068 1.00 0.00 H new ATOM 0 HA LYS A 32 2.924 5.433 -1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.136 6.286 -3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.067 7.781 -2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.669 8.469 -3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.767 7.655 -2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.533 5.540 -4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.435 6.354 -5.114 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.438 6.727 -6.285 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.489 8.139 -5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.538 6.827 -5.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.694 6.829 -3.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.645 5.461 -4.573 1.00 0.00 H new ATOM 501 N GLN A 33 2.216 8.068 0.271 1.00 0.00 N ATOM 502 CA GLN A 33 2.848 9.024 1.231 1.00 0.00 C ATOM 503 C GLN A 33 3.460 8.242 2.392 1.00 0.00 C ATOM 504 O GLN A 33 4.461 8.628 2.964 1.00 0.00 O ATOM 505 CB GLN A 33 1.710 9.923 1.720 1.00 0.00 C ATOM 506 CG GLN A 33 2.289 11.097 2.511 1.00 0.00 C ATOM 507 CD GLN A 33 2.922 12.101 1.546 1.00 0.00 C ATOM 508 OE1 GLN A 33 2.232 12.737 0.774 1.00 0.00 O ATOM 509 NE2 GLN A 33 4.216 12.270 1.556 1.00 0.00 N ATOM 0 H GLN A 33 1.206 8.166 0.165 1.00 0.00 H new ATOM 0 HA GLN A 33 3.645 9.611 0.776 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.134 10.292 0.871 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.025 9.352 2.346 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.503 11.581 3.092 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.035 10.739 3.220 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.795 11.736 2.204 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.648 12.936 0.916 1.00 0.00 H new ATOM 518 N TYR A 34 2.864 7.131 2.718 1.00 0.00 N ATOM 519 CA TYR A 34 3.392 6.274 3.822 1.00 0.00 C ATOM 520 C TYR A 34 4.717 5.642 3.365 1.00 0.00 C ATOM 521 O TYR A 34 5.720 5.712 4.050 1.00 0.00 O ATOM 522 CB TYR A 34 2.276 5.224 4.057 1.00 0.00 C ATOM 523 CG TYR A 34 2.828 3.930 4.619 1.00 0.00 C ATOM 524 CD1 TYR A 34 3.072 3.814 5.989 1.00 0.00 C ATOM 525 CD2 TYR A 34 3.093 2.855 3.764 1.00 0.00 C ATOM 526 CE1 TYR A 34 3.585 2.619 6.508 1.00 0.00 C ATOM 527 CE2 TYR A 34 3.604 1.660 4.279 1.00 0.00 C ATOM 528 CZ TYR A 34 3.850 1.541 5.653 1.00 0.00 C ATOM 529 OH TYR A 34 4.355 0.362 6.164 1.00 0.00 O ATOM 0 H TYR A 34 2.024 6.773 2.263 1.00 0.00 H new ATOM 0 HA TYR A 34 3.613 6.811 4.745 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.534 5.631 4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.763 5.022 3.116 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.865 4.645 6.647 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.903 2.948 2.705 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.776 2.528 7.567 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.809 0.830 3.619 1.00 0.00 H new ATOM 0 HH TYR A 34 5.137 0.087 5.641 1.00 0.00 H new ATOM 539 N ALA A 35 4.717 5.029 2.209 1.00 0.00 N ATOM 540 CA ALA A 35 5.965 4.391 1.693 1.00 0.00 C ATOM 541 C ALA A 35 6.988 5.468 1.319 1.00 0.00 C ATOM 542 O ALA A 35 8.167 5.333 1.585 1.00 0.00 O ATOM 543 CB ALA A 35 5.532 3.607 0.452 1.00 0.00 C ATOM 0 H ALA A 35 3.904 4.943 1.599 1.00 0.00 H new ATOM 0 HA ALA A 35 6.436 3.745 2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.398 3.109 0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.788 2.861 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.101 4.291 -0.279 1.00 0.00 H new ATOM 549 N ASN A 36 6.543 6.535 0.703 1.00 0.00 N ATOM 550 CA ASN A 36 7.481 7.628 0.306 1.00 0.00 C ATOM 551 C ASN A 36 8.209 8.181 1.536 1.00 0.00 C ATOM 552 O ASN A 36 9.406 8.398 1.514 1.00 0.00 O ATOM 553 CB ASN A 36 6.600 8.711 -0.324 1.00 0.00 C ATOM 554 CG ASN A 36 7.482 9.801 -0.939 1.00 0.00 C ATOM 555 OD1 ASN A 36 8.637 9.938 -0.588 1.00 0.00 O ATOM 556 ND2 ASN A 36 6.981 10.590 -1.851 1.00 0.00 N ATOM 0 H ASN A 36 5.566 6.696 0.457 1.00 0.00 H new ATOM 0 HA ASN A 36 8.246 7.274 -0.385 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.960 8.273 -1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.943 9.144 0.431 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.559 11.320 -2.267 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.012 10.476 -2.147 1.00 0.00 H new ATOM 563 N ASP A 37 7.490 8.410 2.606 1.00 0.00 N ATOM 564 CA ASP A 37 8.131 8.951 3.845 1.00 0.00 C ATOM 565 C ASP A 37 9.128 7.936 4.411 1.00 0.00 C ATOM 566 O ASP A 37 10.241 8.279 4.763 1.00 0.00 O ATOM 567 CB ASP A 37 6.982 9.179 4.830 1.00 0.00 C ATOM 568 CG ASP A 37 7.472 10.035 5.999 1.00 0.00 C ATOM 569 OD1 ASP A 37 7.942 9.464 6.969 1.00 0.00 O ATOM 570 OD2 ASP A 37 7.368 11.247 5.905 1.00 0.00 O ATOM 0 H ASP A 37 6.486 8.246 2.676 1.00 0.00 H new ATOM 0 HA ASP A 37 8.685 9.869 3.651 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.151 9.673 4.327 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.609 8.223 5.197 1.00 0.00 H new ATOM 575 N ASN A 38 8.736 6.690 4.498 1.00 0.00 N ATOM 576 CA ASN A 38 9.658 5.645 5.040 1.00 0.00 C ATOM 577 C ASN A 38 10.786 5.370 4.041 1.00 0.00 C ATOM 578 O ASN A 38 11.951 5.379 4.391 1.00 0.00 O ATOM 579 CB ASN A 38 8.791 4.398 5.228 1.00 0.00 C ATOM 580 CG ASN A 38 8.061 4.480 6.570 1.00 0.00 C ATOM 581 OD1 ASN A 38 8.531 3.961 7.562 1.00 0.00 O ATOM 582 ND2 ASN A 38 6.923 5.114 6.642 1.00 0.00 N ATOM 0 H ASN A 38 7.816 6.351 4.217 1.00 0.00 H new ATOM 0 HA ASN A 38 10.126 5.955 5.974 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.070 4.318 4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.411 3.502 5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.428 5.174 7.532 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.528 5.550 5.809 1.00 0.00 H new ATOM 589 N GLY A 39 10.444 5.131 2.801 1.00 0.00 N ATOM 590 CA GLY A 39 11.487 4.858 1.770 1.00 0.00 C ATOM 591 C GLY A 39 11.216 3.508 1.103 1.00 0.00 C ATOM 592 O GLY A 39 12.051 2.623 1.120 1.00 0.00 O ATOM 0 H GLY A 39 9.484 5.113 2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.487 5.650 1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.475 4.854 2.231 1.00 0.00 H new ATOM 596 N ILE A 40 10.057 3.346 0.513 1.00 0.00 N ATOM 597 CA ILE A 40 9.733 2.052 -0.160 1.00 0.00 C ATOM 598 C ILE A 40 9.551 2.269 -1.667 1.00 0.00 C ATOM 599 O ILE A 40 8.507 1.982 -2.222 1.00 0.00 O ATOM 600 CB ILE A 40 8.431 1.570 0.494 1.00 0.00 C ATOM 601 CG1 ILE A 40 8.689 1.325 1.986 1.00 0.00 C ATOM 602 CG2 ILE A 40 7.964 0.264 -0.170 1.00 0.00 C ATOM 603 CD1 ILE A 40 7.388 0.925 2.687 1.00 0.00 C ATOM 0 H ILE A 40 9.323 4.053 0.469 1.00 0.00 H new ATOM 0 HA ILE A 40 10.529 1.316 -0.047 1.00 0.00 H new ATOM 0 HB ILE A 40 7.656 2.326 0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.434 0.539 2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.096 2.226 2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.039 -0.072 0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.790 0.438 -1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.731 -0.501 -0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.583 0.754 3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.655 1.724 2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.998 0.012 2.237 1.00 0.00 H new ATOM 615 N ASP A 41 10.569 2.753 -2.332 1.00 0.00 N ATOM 616 CA ASP A 41 10.470 2.966 -3.807 1.00 0.00 C ATOM 617 C ASP A 41 10.659 1.620 -4.513 1.00 0.00 C ATOM 618 O ASP A 41 11.607 1.417 -5.248 1.00 0.00 O ATOM 619 CB ASP A 41 11.608 3.928 -4.154 1.00 0.00 C ATOM 620 CG ASP A 41 11.065 5.355 -4.238 1.00 0.00 C ATOM 621 OD1 ASP A 41 10.187 5.681 -3.457 1.00 0.00 O ATOM 622 OD2 ASP A 41 11.537 6.098 -5.083 1.00 0.00 O ATOM 0 H ASP A 41 11.465 3.010 -1.917 1.00 0.00 H new ATOM 0 HA ASP A 41 9.507 3.371 -4.116 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.391 3.870 -3.397 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.061 3.644 -5.104 1.00 0.00 H new ATOM 627 N GLY A 42 9.767 0.695 -4.269 1.00 0.00 N ATOM 628 CA GLY A 42 9.882 -0.654 -4.889 1.00 0.00 C ATOM 629 C GLY A 42 9.008 -0.739 -6.136 1.00 0.00 C ATOM 630 O GLY A 42 8.881 0.208 -6.888 1.00 0.00 O ATOM 0 H GLY A 42 8.958 0.820 -3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.921 -0.854 -5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.581 -1.418 -4.172 1.00 0.00 H new ATOM 634 N GLU A 43 8.393 -1.874 -6.343 1.00 0.00 N ATOM 635 CA GLU A 43 7.506 -2.048 -7.518 1.00 0.00 C ATOM 636 C GLU A 43 6.072 -2.250 -7.034 1.00 0.00 C ATOM 637 O GLU A 43 5.749 -3.242 -6.406 1.00 0.00 O ATOM 638 CB GLU A 43 8.039 -3.276 -8.277 1.00 0.00 C ATOM 639 CG GLU A 43 7.912 -4.545 -7.420 1.00 0.00 C ATOM 640 CD GLU A 43 9.189 -5.381 -7.539 1.00 0.00 C ATOM 641 OE1 GLU A 43 10.149 -5.062 -6.857 1.00 0.00 O ATOM 642 OE2 GLU A 43 9.184 -6.327 -8.310 1.00 0.00 O ATOM 0 H GLU A 43 8.472 -2.692 -5.739 1.00 0.00 H new ATOM 0 HA GLU A 43 7.500 -1.179 -8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.485 -3.403 -9.207 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.083 -3.117 -8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.739 -4.275 -6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.052 -5.130 -7.745 1.00 0.00 H new ATOM 649 N TRP A 44 5.222 -1.293 -7.285 1.00 0.00 N ATOM 650 CA TRP A 44 3.823 -1.395 -6.806 1.00 0.00 C ATOM 651 C TRP A 44 2.966 -2.275 -7.709 1.00 0.00 C ATOM 652 O TRP A 44 3.090 -2.272 -8.919 1.00 0.00 O ATOM 653 CB TRP A 44 3.301 0.036 -6.792 1.00 0.00 C ATOM 654 CG TRP A 44 3.908 0.743 -5.630 1.00 0.00 C ATOM 655 CD1 TRP A 44 5.178 1.205 -5.580 1.00 0.00 C ATOM 656 CD2 TRP A 44 3.304 1.056 -4.344 1.00 0.00 C ATOM 657 NE1 TRP A 44 5.391 1.788 -4.345 1.00 0.00 N ATOM 658 CE2 TRP A 44 4.264 1.721 -3.548 1.00 0.00 C ATOM 659 CE3 TRP A 44 2.027 0.833 -3.798 1.00 0.00 C ATOM 660 CZ2 TRP A 44 3.969 2.147 -2.255 1.00 0.00 C ATOM 661 CZ3 TRP A 44 1.727 1.263 -2.496 1.00 0.00 C ATOM 662 CH2 TRP A 44 2.697 1.918 -1.726 1.00 0.00 C ATOM 0 H TRP A 44 5.441 -0.443 -7.804 1.00 0.00 H new ATOM 0 HA TRP A 44 3.781 -1.863 -5.822 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.558 0.543 -7.722 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.214 0.043 -6.715 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.906 1.131 -6.374 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.271 2.215 -4.057 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.273 0.328 -4.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.720 2.652 -1.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.743 1.088 -2.086 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.461 2.246 -0.724 1.00 0.00 H new ATOM 673 N THR A 45 2.081 -3.009 -7.103 1.00 0.00 N ATOM 674 CA THR A 45 1.161 -3.897 -7.861 1.00 0.00 C ATOM 675 C THR A 45 -0.119 -4.056 -7.048 1.00 0.00 C ATOM 676 O THR A 45 -0.077 -4.272 -5.851 1.00 0.00 O ATOM 677 CB THR A 45 1.883 -5.238 -8.008 1.00 0.00 C ATOM 678 OG1 THR A 45 2.656 -5.499 -6.844 1.00 0.00 O ATOM 679 CG2 THR A 45 2.798 -5.195 -9.233 1.00 0.00 C ATOM 0 H THR A 45 1.953 -3.032 -6.091 1.00 0.00 H new ATOM 0 HA THR A 45 0.901 -3.500 -8.842 1.00 0.00 H new ATOM 0 HB THR A 45 1.146 -6.031 -8.134 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.115 -6.359 -6.942 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.312 -6.151 -9.337 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.202 -5.004 -10.126 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.533 -4.399 -9.111 1.00 0.00 H new ATOM 687 N TYR A 46 -1.249 -3.925 -7.680 1.00 0.00 N ATOM 688 CA TYR A 46 -2.537 -4.038 -6.940 1.00 0.00 C ATOM 689 C TYR A 46 -3.193 -5.398 -7.222 1.00 0.00 C ATOM 690 O TYR A 46 -3.181 -5.886 -8.337 1.00 0.00 O ATOM 691 CB TYR A 46 -3.374 -2.866 -7.486 1.00 0.00 C ATOM 692 CG TYR A 46 -4.835 -2.994 -7.100 1.00 0.00 C ATOM 693 CD1 TYR A 46 -5.290 -2.499 -5.871 1.00 0.00 C ATOM 694 CD2 TYR A 46 -5.735 -3.596 -7.987 1.00 0.00 C ATOM 695 CE1 TYR A 46 -6.640 -2.605 -5.533 1.00 0.00 C ATOM 696 CE2 TYR A 46 -7.087 -3.705 -7.646 1.00 0.00 C ATOM 697 CZ TYR A 46 -7.540 -3.209 -6.420 1.00 0.00 C ATOM 698 OH TYR A 46 -8.875 -3.312 -6.089 1.00 0.00 O ATOM 0 H TYR A 46 -1.338 -3.744 -8.680 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.426 -3.987 -5.857 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.977 -1.926 -7.103 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.286 -2.830 -8.572 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.596 -2.035 -5.185 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.385 -3.977 -8.935 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.991 -2.221 -4.587 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.781 -4.172 -8.329 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.359 -3.756 -6.816 1.00 0.00 H new ATOM 708 N ASP A 47 -3.767 -6.003 -6.214 1.00 0.00 N ATOM 709 CA ASP A 47 -4.433 -7.324 -6.401 1.00 0.00 C ATOM 710 C ASP A 47 -5.951 -7.164 -6.287 1.00 0.00 C ATOM 711 O ASP A 47 -6.478 -6.929 -5.215 1.00 0.00 O ATOM 712 CB ASP A 47 -3.898 -8.202 -5.269 1.00 0.00 C ATOM 713 CG ASP A 47 -2.521 -8.747 -5.652 1.00 0.00 C ATOM 714 OD1 ASP A 47 -1.558 -8.009 -5.529 1.00 0.00 O ATOM 715 OD2 ASP A 47 -2.453 -9.894 -6.062 1.00 0.00 O ATOM 0 H ASP A 47 -3.802 -5.635 -5.263 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.230 -7.758 -7.380 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.828 -7.623 -4.348 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.586 -9.025 -5.077 1.00 0.00 H new ATOM 720 N ASP A 48 -6.651 -7.286 -7.385 1.00 0.00 N ATOM 721 CA ASP A 48 -8.139 -7.140 -7.355 1.00 0.00 C ATOM 722 C ASP A 48 -8.784 -8.299 -6.582 1.00 0.00 C ATOM 723 O ASP A 48 -9.904 -8.194 -6.118 1.00 0.00 O ATOM 724 CB ASP A 48 -8.573 -7.159 -8.826 1.00 0.00 C ATOM 725 CG ASP A 48 -8.146 -8.477 -9.482 1.00 0.00 C ATOM 726 OD1 ASP A 48 -8.724 -9.498 -9.146 1.00 0.00 O ATOM 727 OD2 ASP A 48 -7.249 -8.442 -10.308 1.00 0.00 O ATOM 0 H ASP A 48 -6.256 -7.481 -8.305 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.448 -6.224 -6.851 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.654 -7.042 -8.896 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.126 -6.318 -9.356 1.00 0.00 H new ATOM 732 N ALA A 49 -8.090 -9.404 -6.444 1.00 0.00 N ATOM 733 CA ALA A 49 -8.660 -10.574 -5.708 1.00 0.00 C ATOM 734 C ALA A 49 -9.101 -10.166 -4.298 1.00 0.00 C ATOM 735 O ALA A 49 -10.145 -10.573 -3.825 1.00 0.00 O ATOM 736 CB ALA A 49 -7.525 -11.598 -5.635 1.00 0.00 C ATOM 0 H ALA A 49 -7.149 -9.545 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.541 -10.974 -6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.870 -12.487 -5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.217 -11.872 -6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.678 -11.165 -5.102 1.00 0.00 H new ATOM 742 N THR A 50 -8.310 -9.366 -3.628 1.00 0.00 N ATOM 743 CA THR A 50 -8.677 -8.929 -2.247 1.00 0.00 C ATOM 744 C THR A 50 -8.175 -7.505 -1.980 1.00 0.00 C ATOM 745 O THR A 50 -8.014 -7.103 -0.844 1.00 0.00 O ATOM 746 CB THR A 50 -7.978 -9.925 -1.319 1.00 0.00 C ATOM 747 OG1 THR A 50 -6.576 -9.874 -1.544 1.00 0.00 O ATOM 748 CG2 THR A 50 -8.490 -11.339 -1.600 1.00 0.00 C ATOM 0 H THR A 50 -7.426 -8.997 -3.978 1.00 0.00 H new ATOM 0 HA THR A 50 -9.756 -8.914 -2.096 1.00 0.00 H new ATOM 0 HB THR A 50 -8.191 -9.665 -0.282 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.126 -10.510 -0.949 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.990 -12.045 -0.937 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.565 -11.378 -1.427 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.280 -11.603 -2.637 1.00 0.00 H new ATOM 756 N LYS A 51 -7.929 -6.735 -3.017 1.00 0.00 N ATOM 757 CA LYS A 51 -7.439 -5.327 -2.831 1.00 0.00 C ATOM 758 C LYS A 51 -6.209 -5.296 -1.914 1.00 0.00 C ATOM 759 O LYS A 51 -6.333 -5.274 -0.703 1.00 0.00 O ATOM 760 CB LYS A 51 -8.610 -4.574 -2.183 1.00 0.00 C ATOM 761 CG LYS A 51 -9.214 -3.595 -3.191 1.00 0.00 C ATOM 762 CD LYS A 51 -10.377 -4.269 -3.925 1.00 0.00 C ATOM 763 CE LYS A 51 -11.582 -4.390 -2.985 1.00 0.00 C ATOM 764 NZ LYS A 51 -12.068 -5.788 -3.155 1.00 0.00 N ATOM 0 H LYS A 51 -8.047 -7.022 -3.989 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.136 -4.877 -3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.369 -5.281 -1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.265 -4.036 -1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.564 -2.699 -2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.454 -3.277 -3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.648 -3.688 -4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.076 -5.257 -4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.297 -4.195 -1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.357 -3.669 -3.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.893 -5.946 -2.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.339 -5.943 -4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.311 -6.453 -2.895 1.00 0.00 H new ATOM 778 N THR A 52 -5.029 -5.295 -2.482 1.00 0.00 N ATOM 779 CA THR A 52 -3.798 -5.269 -1.636 1.00 0.00 C ATOM 780 C THR A 52 -2.614 -4.663 -2.398 1.00 0.00 C ATOM 781 O THR A 52 -1.996 -5.316 -3.217 1.00 0.00 O ATOM 782 CB THR A 52 -3.523 -6.737 -1.304 1.00 0.00 C ATOM 783 OG1 THR A 52 -4.701 -7.329 -0.775 1.00 0.00 O ATOM 784 CG2 THR A 52 -2.396 -6.829 -0.274 1.00 0.00 C ATOM 0 H THR A 52 -4.866 -5.311 -3.489 1.00 0.00 H new ATOM 0 HA THR A 52 -3.933 -4.656 -0.745 1.00 0.00 H new ATOM 0 HB THR A 52 -3.225 -7.265 -2.210 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.248 -6.640 -0.344 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.202 -7.876 -0.039 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.493 -6.375 -0.682 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.689 -6.302 0.634 1.00 0.00 H new ATOM 792 N PHE A 53 -2.279 -3.426 -2.113 1.00 0.00 N ATOM 793 CA PHE A 53 -1.114 -2.784 -2.800 1.00 0.00 C ATOM 794 C PHE A 53 0.161 -3.538 -2.421 1.00 0.00 C ATOM 795 O PHE A 53 0.414 -3.779 -1.255 1.00 0.00 O ATOM 796 CB PHE A 53 -1.060 -1.351 -2.266 1.00 0.00 C ATOM 797 CG PHE A 53 -2.175 -0.538 -2.871 1.00 0.00 C ATOM 798 CD1 PHE A 53 -1.988 0.094 -4.103 1.00 0.00 C ATOM 799 CD2 PHE A 53 -3.393 -0.415 -2.196 1.00 0.00 C ATOM 800 CE1 PHE A 53 -3.023 0.851 -4.664 1.00 0.00 C ATOM 801 CE2 PHE A 53 -4.429 0.342 -2.754 1.00 0.00 C ATOM 802 CZ PHE A 53 -4.244 0.975 -3.990 1.00 0.00 C ATOM 0 H PHE A 53 -2.761 -2.835 -1.436 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.208 -2.799 -3.886 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.148 -1.355 -1.180 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.097 -0.900 -2.506 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.046 -0.002 -4.622 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.534 -0.904 -1.244 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.880 1.339 -5.617 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.370 0.438 -2.233 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.043 1.559 -4.423 1.00 0.00 H new ATOM 812 N THR A 54 0.951 -3.938 -3.385 1.00 0.00 N ATOM 813 CA THR A 54 2.191 -4.707 -3.045 1.00 0.00 C ATOM 814 C THR A 54 3.469 -4.034 -3.578 1.00 0.00 C ATOM 815 O THR A 54 3.761 -4.090 -4.757 1.00 0.00 O ATOM 816 CB THR A 54 1.988 -6.071 -3.711 1.00 0.00 C ATOM 817 OG1 THR A 54 0.773 -6.643 -3.247 1.00 0.00 O ATOM 818 CG2 THR A 54 3.154 -7.001 -3.366 1.00 0.00 C ATOM 0 H THR A 54 0.797 -3.770 -4.379 1.00 0.00 H new ATOM 0 HA THR A 54 2.330 -4.771 -1.966 1.00 0.00 H new ATOM 0 HB THR A 54 1.945 -5.940 -4.792 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.639 -7.516 -3.672 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.001 -7.969 -3.844 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.086 -6.563 -3.723 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.206 -7.134 -2.285 1.00 0.00 H new ATOM 826 N VAL A 55 4.255 -3.441 -2.703 1.00 0.00 N ATOM 827 CA VAL A 55 5.535 -2.818 -3.137 1.00 0.00 C ATOM 828 C VAL A 55 6.708 -3.640 -2.584 1.00 0.00 C ATOM 829 O VAL A 55 6.531 -4.483 -1.724 1.00 0.00 O ATOM 830 CB VAL A 55 5.557 -1.381 -2.578 1.00 0.00 C ATOM 831 CG1 VAL A 55 5.648 -1.395 -1.053 1.00 0.00 C ATOM 832 CG2 VAL A 55 6.773 -0.644 -3.142 1.00 0.00 C ATOM 0 H VAL A 55 4.057 -3.366 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 55 5.623 -2.794 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 55 4.636 -0.877 -2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.662 -0.371 -0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.785 -1.919 -0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.562 -1.905 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.795 0.373 -2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.684 -1.166 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.708 -0.613 -4.230 1.00 0.00 H new ATOM 842 N THR A 56 7.894 -3.394 -3.067 1.00 0.00 N ATOM 843 CA THR A 56 9.084 -4.152 -2.586 1.00 0.00 C ATOM 844 C THR A 56 10.366 -3.388 -2.941 1.00 0.00 C ATOM 845 O THR A 56 10.724 -3.273 -4.099 1.00 0.00 O ATOM 846 CB THR A 56 9.016 -5.476 -3.349 1.00 0.00 C ATOM 847 OG1 THR A 56 7.830 -6.170 -2.988 1.00 0.00 O ATOM 848 CG2 THR A 56 10.234 -6.345 -3.017 1.00 0.00 C ATOM 0 H THR A 56 8.092 -2.693 -3.781 1.00 0.00 H new ATOM 0 HA THR A 56 9.091 -4.297 -1.506 1.00 0.00 H new ATOM 0 HB THR A 56 9.011 -5.266 -4.419 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.419 -5.733 -2.213 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.172 -7.284 -3.567 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.145 -5.818 -3.300 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.252 -6.552 -1.947 1.00 0.00 H new ATOM 856 N GLU A 57 11.054 -2.870 -1.955 1.00 0.00 N ATOM 857 CA GLU A 57 12.314 -2.115 -2.231 1.00 0.00 C ATOM 858 C GLU A 57 13.471 -3.089 -2.467 1.00 0.00 C ATOM 859 O GLU A 57 14.588 -2.624 -2.621 1.00 0.00 O ATOM 860 CB GLU A 57 12.563 -1.280 -0.974 1.00 0.00 C ATOM 861 CG GLU A 57 13.128 0.087 -1.369 1.00 0.00 C ATOM 862 CD GLU A 57 14.145 0.544 -0.321 1.00 0.00 C ATOM 863 OE1 GLU A 57 14.938 -0.280 0.105 1.00 0.00 O ATOM 864 OE2 GLU A 57 14.113 1.709 0.038 1.00 0.00 O ATOM 865 OXT GLU A 57 13.220 -4.282 -2.488 1.00 0.00 O ATOM 0 H GLU A 57 10.797 -2.937 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 57 12.235 -1.492 -3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.633 -1.154 -0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.261 -1.796 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.602 0.027 -2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.321 0.816 -1.450 1.00 0.00 H new TER 872 GLU A 57