USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 426 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 9 ASN : amide:sc= 0.372 K(o=-0.97,f=1.1) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -1.34 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 52 THR OG1 : rot 98:sc= -0.0246 USER MOD Single : A 2 THR OG1 : rot 38:sc= 0.254 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 11 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0251) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -14:sc= 1.94 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 K(o=0,f=-0.76) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0729 X(o=-0.073,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.0515 K(o=-0.052,f=-0.96) USER MOD Single : A 45 THR OG1 : rot 2:sc= -0.663! USER MOD Single : A 46 TYR OH : rot 180:sc= -0.256 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -34:sc= 0.223 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -2.492 -12.058 6.459 1.00 0.00 N ATOM 21 CA THR A 2 -2.611 -11.170 5.263 1.00 0.00 C ATOM 22 C THR A 2 -1.651 -9.980 5.385 1.00 0.00 C ATOM 23 O THR A 2 -2.070 -8.845 5.518 1.00 0.00 O ATOM 24 CB THR A 2 -4.064 -10.692 5.270 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.930 -11.817 5.227 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.316 -9.804 4.051 1.00 0.00 C ATOM 0 HA THR A 2 -2.355 -11.687 4.338 1.00 0.00 H new ATOM 0 HB THR A 2 -4.255 -10.120 6.178 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.553 -12.541 5.769 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.352 -9.464 4.057 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.650 -8.941 4.085 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.126 -10.373 3.141 1.00 0.00 H new ATOM 34 N THR A 3 -0.367 -10.232 5.335 1.00 0.00 N ATOM 35 CA THR A 3 0.620 -9.118 5.441 1.00 0.00 C ATOM 36 C THR A 3 0.836 -8.473 4.071 1.00 0.00 C ATOM 37 O THR A 3 1.718 -8.860 3.326 1.00 0.00 O ATOM 38 CB THR A 3 1.915 -9.771 5.933 1.00 0.00 C ATOM 39 OG1 THR A 3 1.651 -10.497 7.125 1.00 0.00 O ATOM 40 CG2 THR A 3 2.968 -8.693 6.211 1.00 0.00 C ATOM 0 H THR A 3 0.039 -11.161 5.225 1.00 0.00 H new ATOM 0 HA THR A 3 0.280 -8.333 6.116 1.00 0.00 H new ATOM 0 HB THR A 3 2.292 -10.449 5.167 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.478 -10.918 7.442 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.887 -9.164 6.561 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.171 -8.137 5.295 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.597 -8.010 6.975 1.00 0.00 H new ATOM 48 N PHE A 4 0.038 -7.492 3.736 1.00 0.00 N ATOM 49 CA PHE A 4 0.193 -6.814 2.414 1.00 0.00 C ATOM 50 C PHE A 4 1.386 -5.856 2.460 1.00 0.00 C ATOM 51 O PHE A 4 1.585 -5.153 3.431 1.00 0.00 O ATOM 52 CB PHE A 4 -1.114 -6.048 2.199 1.00 0.00 C ATOM 53 CG PHE A 4 -2.099 -6.934 1.475 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.884 -7.262 0.134 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.222 -7.432 2.146 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.789 -8.086 -0.541 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.130 -8.256 1.469 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.913 -8.583 0.127 1.00 0.00 C ATOM 0 H PHE A 4 -0.715 -7.131 4.322 1.00 0.00 H new ATOM 0 HA PHE A 4 0.380 -7.518 1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.527 -5.734 3.158 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.928 -5.143 1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.017 -6.878 -0.382 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.388 -7.181 3.183 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.621 -8.339 -1.577 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.999 -8.639 1.984 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.613 -9.219 -0.394 1.00 0.00 H new ATOM 68 N LYS A 5 2.182 -5.832 1.421 1.00 0.00 N ATOM 69 CA LYS A 5 3.371 -4.928 1.404 1.00 0.00 C ATOM 70 C LYS A 5 3.092 -3.694 0.542 1.00 0.00 C ATOM 71 O LYS A 5 1.983 -3.480 0.090 1.00 0.00 O ATOM 72 CB LYS A 5 4.498 -5.763 0.792 1.00 0.00 C ATOM 73 CG LYS A 5 4.763 -6.990 1.667 1.00 0.00 C ATOM 74 CD LYS A 5 5.865 -7.841 1.032 1.00 0.00 C ATOM 75 CE LYS A 5 5.867 -9.233 1.667 1.00 0.00 C ATOM 76 NZ LYS A 5 6.076 -10.174 0.531 1.00 0.00 N ATOM 0 H LYS A 5 2.059 -6.400 0.583 1.00 0.00 H new ATOM 0 HA LYS A 5 3.624 -4.567 2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.226 -6.075 -0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.404 -5.163 0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.061 -6.678 2.668 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.851 -7.577 1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.703 -7.921 -0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.835 -7.364 1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.660 -9.327 2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.926 -9.435 2.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.089 -11.151 0.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.302 -10.066 -0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.982 -9.962 0.067 1.00 0.00 H new ATOM 90 N LEU A 6 4.095 -2.885 0.313 1.00 0.00 N ATOM 91 CA LEU A 6 3.904 -1.659 -0.521 1.00 0.00 C ATOM 92 C LEU A 6 5.264 -1.095 -0.939 1.00 0.00 C ATOM 93 O LEU A 6 5.977 -0.525 -0.139 1.00 0.00 O ATOM 94 CB LEU A 6 3.159 -0.673 0.388 1.00 0.00 C ATOM 95 CG LEU A 6 2.949 0.667 -0.333 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.622 0.636 -1.088 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.925 1.805 0.695 1.00 0.00 C ATOM 0 H LEU A 6 5.041 -3.021 0.669 1.00 0.00 H new ATOM 0 HA LEU A 6 3.349 -1.859 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.195 -1.092 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.726 -0.515 1.305 1.00 0.00 H new ATOM 0 HG LEU A 6 3.765 0.831 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.472 1.587 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.639 -0.172 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.807 0.471 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.776 2.755 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.110 1.641 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.872 1.828 1.234 1.00 0.00 H new ATOM 109 N ILE A 7 5.613 -1.238 -2.191 1.00 0.00 N ATOM 110 CA ILE A 7 6.916 -0.700 -2.676 1.00 0.00 C ATOM 111 C ILE A 7 6.717 0.737 -3.158 1.00 0.00 C ATOM 112 O ILE A 7 5.996 0.983 -4.110 1.00 0.00 O ATOM 113 CB ILE A 7 7.315 -1.616 -3.839 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.488 -3.047 -3.323 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.636 -1.134 -4.448 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.694 -3.997 -4.505 1.00 0.00 C ATOM 0 H ILE A 7 5.049 -1.706 -2.900 1.00 0.00 H new ATOM 0 HA ILE A 7 7.684 -0.681 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 7 6.535 -1.591 -4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.342 -3.100 -2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.610 -3.347 -2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.916 -1.788 -5.274 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.517 -0.115 -4.816 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.417 -1.156 -3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.817 -5.015 -4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.827 -3.952 -5.164 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.585 -3.701 -5.058 1.00 0.00 H new ATOM 128 N ILE A 8 7.336 1.690 -2.506 1.00 0.00 N ATOM 129 CA ILE A 8 7.156 3.103 -2.941 1.00 0.00 C ATOM 130 C ILE A 8 8.338 3.520 -3.831 1.00 0.00 C ATOM 131 O ILE A 8 9.478 3.495 -3.407 1.00 0.00 O ATOM 132 CB ILE A 8 7.105 3.969 -1.664 1.00 0.00 C ATOM 133 CG1 ILE A 8 5.851 3.653 -0.845 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.038 5.447 -2.060 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.992 2.294 -0.182 1.00 0.00 C ATOM 0 H ILE A 8 7.949 1.551 -1.703 1.00 0.00 H new ATOM 0 HA ILE A 8 6.240 3.228 -3.519 1.00 0.00 H new ATOM 0 HB ILE A 8 7.996 3.757 -1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.698 4.422 -0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.973 3.662 -1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.002 6.063 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.921 5.708 -2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.143 5.623 -2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.095 2.078 0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.123 1.528 -0.946 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.859 2.300 0.478 1.00 0.00 H new ATOM 147 N ASN A 9 8.072 3.909 -5.051 1.00 0.00 N ATOM 148 CA ASN A 9 9.177 4.338 -5.963 1.00 0.00 C ATOM 149 C ASN A 9 9.105 5.857 -6.184 1.00 0.00 C ATOM 150 O ASN A 9 8.343 6.339 -7.002 1.00 0.00 O ATOM 151 CB ASN A 9 8.932 3.564 -7.268 1.00 0.00 C ATOM 152 CG ASN A 9 9.898 4.041 -8.361 1.00 0.00 C ATOM 153 OD1 ASN A 9 11.078 3.756 -8.311 1.00 0.00 O ATOM 154 ND2 ASN A 9 9.441 4.760 -9.354 1.00 0.00 N ATOM 0 H ASN A 9 7.137 3.949 -5.456 1.00 0.00 H new ATOM 0 HA ASN A 9 10.169 4.130 -5.561 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.066 2.496 -7.096 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.902 3.707 -7.596 1.00 0.00 H new ATOM 0 HD21 ASN A 9 10.075 5.081 -10.086 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.450 5.000 -9.397 1.00 0.00 H new ATOM 161 N GLY A 10 9.895 6.608 -5.456 1.00 0.00 N ATOM 162 CA GLY A 10 9.883 8.095 -5.611 1.00 0.00 C ATOM 163 C GLY A 10 10.990 8.708 -4.748 1.00 0.00 C ATOM 164 O GLY A 10 12.107 8.227 -4.727 1.00 0.00 O ATOM 0 H GLY A 10 10.550 6.253 -4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.032 8.363 -6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.913 8.494 -5.315 1.00 0.00 H new ATOM 168 N LYS A 11 10.684 9.762 -4.033 1.00 0.00 N ATOM 169 CA LYS A 11 11.715 10.409 -3.164 1.00 0.00 C ATOM 170 C LYS A 11 11.300 10.322 -1.690 1.00 0.00 C ATOM 171 O LYS A 11 12.130 10.205 -0.809 1.00 0.00 O ATOM 172 CB LYS A 11 11.793 11.870 -3.632 1.00 0.00 C ATOM 173 CG LYS A 11 10.432 12.559 -3.465 1.00 0.00 C ATOM 174 CD LYS A 11 10.560 14.042 -3.829 1.00 0.00 C ATOM 175 CE LYS A 11 10.735 14.877 -2.554 1.00 0.00 C ATOM 176 NZ LYS A 11 12.167 15.290 -2.555 1.00 0.00 N ATOM 0 H LYS A 11 9.764 10.203 -4.014 1.00 0.00 H new ATOM 0 HA LYS A 11 12.684 9.917 -3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.550 12.403 -3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.101 11.908 -4.677 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.690 12.080 -4.103 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.084 12.455 -2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.412 14.191 -4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.673 14.371 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.074 15.744 -2.557 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.493 14.295 -1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.332 15.974 -1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.769 14.455 -2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.401 15.730 -3.468 1.00 0.00 H new ATOM 190 N THR A 12 10.018 10.370 -1.421 1.00 0.00 N ATOM 191 CA THR A 12 9.538 10.280 -0.009 1.00 0.00 C ATOM 192 C THR A 12 9.358 8.819 0.384 1.00 0.00 C ATOM 193 O THR A 12 8.444 8.163 -0.061 1.00 0.00 O ATOM 194 CB THR A 12 8.196 11.020 0.011 1.00 0.00 C ATOM 195 OG1 THR A 12 7.479 10.738 -1.182 1.00 0.00 O ATOM 196 CG2 THR A 12 8.446 12.526 0.114 1.00 0.00 C ATOM 0 H THR A 12 9.283 10.468 -2.121 1.00 0.00 H new ATOM 0 HA THR A 12 10.243 10.716 0.698 1.00 0.00 H new ATOM 0 HB THR A 12 7.612 10.689 0.870 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.620 11.210 -1.167 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.492 13.053 0.128 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.994 12.742 1.031 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.031 12.857 -0.744 1.00 0.00 H new ATOM 204 N LEU A 13 10.238 8.313 1.216 1.00 0.00 N ATOM 205 CA LEU A 13 10.156 6.884 1.656 1.00 0.00 C ATOM 206 C LEU A 13 10.285 5.957 0.428 1.00 0.00 C ATOM 207 O LEU A 13 9.891 6.306 -0.668 1.00 0.00 O ATOM 208 CB LEU A 13 8.800 6.766 2.420 1.00 0.00 C ATOM 209 CG LEU A 13 7.756 5.932 1.664 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.063 4.439 1.832 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.366 6.230 2.232 1.00 0.00 C ATOM 0 H LEU A 13 11.018 8.836 1.613 1.00 0.00 H new ATOM 0 HA LEU A 13 10.964 6.576 2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.978 6.317 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.401 7.765 2.596 1.00 0.00 H new ATOM 0 HG LEU A 13 7.786 6.189 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.319 3.852 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.054 4.224 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.034 4.178 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.621 5.640 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.343 5.972 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.143 7.290 2.112 1.00 0.00 H new ATOM 223 N LYS A 14 10.842 4.786 0.608 1.00 0.00 N ATOM 224 CA LYS A 14 11.001 3.850 -0.536 1.00 0.00 C ATOM 225 C LYS A 14 11.270 2.429 -0.037 1.00 0.00 C ATOM 226 O LYS A 14 12.150 2.200 0.771 1.00 0.00 O ATOM 227 CB LYS A 14 12.196 4.387 -1.336 1.00 0.00 C ATOM 228 CG LYS A 14 13.448 4.425 -0.452 1.00 0.00 C ATOM 229 CD LYS A 14 14.473 5.387 -1.057 1.00 0.00 C ATOM 230 CE LYS A 14 15.117 4.742 -2.287 1.00 0.00 C ATOM 231 NZ LYS A 14 15.895 5.837 -2.932 1.00 0.00 N ATOM 0 H LYS A 14 11.193 4.441 1.501 1.00 0.00 H new ATOM 0 HA LYS A 14 10.100 3.796 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.375 3.755 -2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.974 5.387 -1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.184 4.745 0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.877 3.426 -0.368 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.989 6.323 -1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.237 5.631 -0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.764 3.911 -2.004 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.362 4.342 -2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.367 5.472 -3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.252 6.611 -3.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.610 6.193 -2.266 1.00 0.00 H new ATOM 245 N GLY A 15 10.512 1.477 -0.515 1.00 0.00 N ATOM 246 CA GLY A 15 10.709 0.063 -0.078 1.00 0.00 C ATOM 247 C GLY A 15 9.375 -0.518 0.391 1.00 0.00 C ATOM 248 O GLY A 15 8.341 0.113 0.275 1.00 0.00 O ATOM 0 H GLY A 15 9.762 1.619 -1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.107 -0.531 -0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.440 0.019 0.729 1.00 0.00 H new ATOM 252 N GLU A 16 9.392 -1.722 0.909 1.00 0.00 N ATOM 253 CA GLU A 16 8.133 -2.363 1.383 1.00 0.00 C ATOM 254 C GLU A 16 7.955 -2.165 2.897 1.00 0.00 C ATOM 255 O GLU A 16 8.916 -2.112 3.642 1.00 0.00 O ATOM 256 CB GLU A 16 8.305 -3.843 1.015 1.00 0.00 C ATOM 257 CG GLU A 16 9.384 -4.499 1.889 1.00 0.00 C ATOM 258 CD GLU A 16 10.172 -5.514 1.057 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.543 -6.353 0.432 1.00 0.00 O ATOM 260 OE2 GLU A 16 11.388 -5.435 1.059 1.00 0.00 O ATOM 0 H GLU A 16 10.232 -2.289 1.023 1.00 0.00 H new ATOM 0 HA GLU A 16 7.240 -1.933 0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.358 -4.367 1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.578 -3.932 -0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.057 -3.739 2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.923 -4.994 2.744 1.00 0.00 H new ATOM 267 N ILE A 17 6.730 -2.063 3.351 1.00 0.00 N ATOM 268 CA ILE A 17 6.477 -1.875 4.813 1.00 0.00 C ATOM 269 C ILE A 17 5.780 -3.113 5.395 1.00 0.00 C ATOM 270 O ILE A 17 5.912 -3.407 6.563 1.00 0.00 O ATOM 271 CB ILE A 17 5.574 -0.639 4.907 1.00 0.00 C ATOM 272 CG1 ILE A 17 6.300 0.580 4.312 1.00 0.00 C ATOM 273 CG2 ILE A 17 5.218 -0.362 6.372 1.00 0.00 C ATOM 274 CD1 ILE A 17 7.602 0.855 5.077 1.00 0.00 C ATOM 0 H ILE A 17 5.892 -2.102 2.770 1.00 0.00 H new ATOM 0 HA ILE A 17 7.399 -1.742 5.380 1.00 0.00 H new ATOM 0 HB ILE A 17 4.658 -0.824 4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.520 0.402 3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.652 1.455 4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.577 0.517 6.431 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.693 -1.222 6.788 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.131 -0.184 6.941 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.103 1.720 4.643 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.374 1.055 6.124 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.255 -0.015 5.008 1.00 0.00 H new ATOM 286 N THR A 18 5.050 -3.835 4.578 1.00 0.00 N ATOM 287 CA THR A 18 4.333 -5.074 5.048 1.00 0.00 C ATOM 288 C THR A 18 3.391 -4.760 6.219 1.00 0.00 C ATOM 289 O THR A 18 3.823 -4.442 7.311 1.00 0.00 O ATOM 290 CB THR A 18 5.410 -6.100 5.483 1.00 0.00 C ATOM 291 OG1 THR A 18 5.840 -5.825 6.810 1.00 0.00 O ATOM 292 CG2 THR A 18 6.617 -6.080 4.531 1.00 0.00 C ATOM 0 H THR A 18 4.916 -3.619 3.590 1.00 0.00 H new ATOM 0 HA THR A 18 3.719 -5.476 4.242 1.00 0.00 H new ATOM 0 HB THR A 18 4.961 -7.093 5.445 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.538 -4.931 7.073 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.355 -6.811 4.863 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.289 -6.329 3.522 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.065 -5.086 4.532 1.00 0.00 H new ATOM 300 N ILE A 19 2.103 -4.869 5.998 1.00 0.00 N ATOM 301 CA ILE A 19 1.122 -4.597 7.096 1.00 0.00 C ATOM 302 C ILE A 19 -0.048 -5.580 7.019 1.00 0.00 C ATOM 303 O ILE A 19 -0.582 -5.842 5.958 1.00 0.00 O ATOM 304 CB ILE A 19 0.642 -3.157 6.877 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.003 -3.015 5.491 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.833 -2.205 6.982 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.520 -3.194 5.602 1.00 0.00 C ATOM 0 H ILE A 19 1.689 -5.135 5.105 1.00 0.00 H new ATOM 0 HA ILE A 19 1.571 -4.719 8.081 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.098 -2.911 7.638 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.227 -2.035 5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.411 -3.758 4.810 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.495 -1.181 6.827 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.283 -2.293 7.971 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.572 -2.462 6.223 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.972 -3.092 4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.741 -4.184 6.002 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.928 -2.434 6.268 1.00 0.00 H new ATOM 319 N GLU A 20 -0.448 -6.124 8.142 1.00 0.00 N ATOM 320 CA GLU A 20 -1.585 -7.094 8.148 1.00 0.00 C ATOM 321 C GLU A 20 -2.900 -6.367 7.854 1.00 0.00 C ATOM 322 O GLU A 20 -3.064 -5.207 8.185 1.00 0.00 O ATOM 323 CB GLU A 20 -1.603 -7.684 9.560 1.00 0.00 C ATOM 324 CG GLU A 20 -2.566 -8.872 9.605 1.00 0.00 C ATOM 325 CD GLU A 20 -2.693 -9.373 11.046 1.00 0.00 C ATOM 326 OE1 GLU A 20 -1.792 -10.062 11.495 1.00 0.00 O ATOM 327 OE2 GLU A 20 -3.690 -9.058 11.675 1.00 0.00 O ATOM 0 H GLU A 20 -0.035 -5.937 9.056 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.470 -7.867 7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.601 -8.004 9.845 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.911 -6.925 10.279 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.544 -8.576 9.224 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.202 -9.673 8.961 1.00 0.00 H new ATOM 334 N ALA A 21 -3.835 -7.041 7.233 1.00 0.00 N ATOM 335 CA ALA A 21 -5.143 -6.396 6.911 1.00 0.00 C ATOM 336 C ALA A 21 -6.163 -7.451 6.472 1.00 0.00 C ATOM 337 O ALA A 21 -5.805 -8.517 6.011 1.00 0.00 O ATOM 338 CB ALA A 21 -4.835 -5.438 5.759 1.00 0.00 C ATOM 0 H ALA A 21 -3.748 -8.013 6.935 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.572 -5.881 7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.748 -4.922 5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.094 -4.707 6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.444 -6.001 4.912 1.00 0.00 H new ATOM 344 N VAL A 22 -7.432 -7.158 6.617 1.00 0.00 N ATOM 345 CA VAL A 22 -8.492 -8.137 6.214 1.00 0.00 C ATOM 346 C VAL A 22 -8.290 -8.594 4.759 1.00 0.00 C ATOM 347 O VAL A 22 -8.451 -9.756 4.439 1.00 0.00 O ATOM 348 CB VAL A 22 -9.821 -7.381 6.374 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.829 -6.142 5.475 1.00 0.00 C ATOM 350 CG2 VAL A 22 -10.985 -8.299 5.987 1.00 0.00 C ATOM 0 H VAL A 22 -7.782 -6.279 6.999 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.465 -9.040 6.824 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.931 -7.071 7.413 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.774 -5.612 5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.006 -5.484 5.755 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.713 -6.446 4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.926 -7.761 6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.871 -8.614 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.988 -9.176 6.634 1.00 0.00 H new ATOM 360 N ASP A 23 -7.933 -7.686 3.887 1.00 0.00 N ATOM 361 CA ASP A 23 -7.712 -8.057 2.457 1.00 0.00 C ATOM 362 C ASP A 23 -6.850 -6.990 1.781 1.00 0.00 C ATOM 363 O ASP A 23 -6.450 -6.025 2.405 1.00 0.00 O ATOM 364 CB ASP A 23 -9.111 -8.106 1.828 1.00 0.00 C ATOM 365 CG ASP A 23 -9.479 -9.555 1.496 1.00 0.00 C ATOM 366 OD1 ASP A 23 -8.633 -10.253 0.961 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.599 -9.942 1.783 1.00 0.00 O ATOM 0 H ASP A 23 -7.785 -6.701 4.105 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.195 -9.010 2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.844 -7.683 2.515 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.135 -7.499 0.923 1.00 0.00 H new ATOM 372 N ALA A 24 -6.559 -7.155 0.514 1.00 0.00 N ATOM 373 CA ALA A 24 -5.718 -6.143 -0.190 1.00 0.00 C ATOM 374 C ALA A 24 -6.464 -4.809 -0.249 1.00 0.00 C ATOM 375 O ALA A 24 -5.865 -3.752 -0.202 1.00 0.00 O ATOM 376 CB ALA A 24 -5.484 -6.696 -1.596 1.00 0.00 C ATOM 0 H ALA A 24 -6.866 -7.942 -0.058 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.772 -5.966 0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.871 -5.997 -2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.972 -7.656 -1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.442 -6.830 -2.098 1.00 0.00 H new ATOM 382 N ALA A 25 -7.773 -4.853 -0.340 1.00 0.00 N ATOM 383 CA ALA A 25 -8.575 -3.592 -0.389 1.00 0.00 C ATOM 384 C ALA A 25 -8.247 -2.720 0.827 1.00 0.00 C ATOM 385 O ALA A 25 -7.996 -1.536 0.706 1.00 0.00 O ATOM 386 CB ALA A 25 -10.038 -4.038 -0.351 1.00 0.00 C ATOM 0 H ALA A 25 -8.321 -5.712 -0.382 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.360 -3.001 -1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.686 -3.162 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.246 -4.676 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.225 -4.594 0.568 1.00 0.00 H new ATOM 392 N GLU A 26 -8.228 -3.312 1.993 1.00 0.00 N ATOM 393 CA GLU A 26 -7.893 -2.540 3.226 1.00 0.00 C ATOM 394 C GLU A 26 -6.419 -2.141 3.174 1.00 0.00 C ATOM 395 O GLU A 26 -6.066 -1.008 3.433 1.00 0.00 O ATOM 396 CB GLU A 26 -8.159 -3.499 4.392 1.00 0.00 C ATOM 397 CG GLU A 26 -8.973 -2.783 5.474 1.00 0.00 C ATOM 398 CD GLU A 26 -8.708 -3.439 6.831 1.00 0.00 C ATOM 399 OE1 GLU A 26 -7.583 -3.852 7.058 1.00 0.00 O ATOM 400 OE2 GLU A 26 -9.636 -3.518 7.619 1.00 0.00 O ATOM 0 H GLU A 26 -8.431 -4.300 2.144 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.480 -1.627 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.700 -4.377 4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.215 -3.852 4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.702 -1.728 5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.036 -2.831 5.236 1.00 0.00 H new ATOM 407 N ALA A 27 -5.556 -3.063 2.817 1.00 0.00 N ATOM 408 CA ALA A 27 -4.097 -2.735 2.724 1.00 0.00 C ATOM 409 C ALA A 27 -3.895 -1.559 1.766 1.00 0.00 C ATOM 410 O ALA A 27 -3.127 -0.654 2.030 1.00 0.00 O ATOM 411 CB ALA A 27 -3.425 -3.991 2.169 1.00 0.00 C ATOM 0 H ALA A 27 -5.798 -4.027 2.586 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.678 -2.452 3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.353 -3.819 2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.601 -4.827 2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.842 -4.224 1.189 1.00 0.00 H new ATOM 417 N GLU A 28 -4.599 -1.566 0.659 1.00 0.00 N ATOM 418 CA GLU A 28 -4.473 -0.443 -0.317 1.00 0.00 C ATOM 419 C GLU A 28 -4.907 0.862 0.350 1.00 0.00 C ATOM 420 O GLU A 28 -4.280 1.886 0.179 1.00 0.00 O ATOM 421 CB GLU A 28 -5.413 -0.795 -1.474 1.00 0.00 C ATOM 422 CG GLU A 28 -5.037 0.028 -2.712 1.00 0.00 C ATOM 423 CD GLU A 28 -6.210 0.033 -3.693 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.283 -0.876 -4.504 1.00 0.00 O ATOM 425 OE2 GLU A 28 -7.017 0.945 -3.616 1.00 0.00 O ATOM 0 H GLU A 28 -5.254 -2.301 0.392 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.449 -0.309 -0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.346 -1.859 -1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.446 -0.593 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.787 1.048 -2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.152 -0.394 -3.188 1.00 0.00 H new ATOM 432 N LYS A 29 -5.967 0.826 1.122 1.00 0.00 N ATOM 433 CA LYS A 29 -6.433 2.065 1.812 1.00 0.00 C ATOM 434 C LYS A 29 -5.416 2.448 2.901 1.00 0.00 C ATOM 435 O LYS A 29 -5.030 3.599 3.023 1.00 0.00 O ATOM 436 CB LYS A 29 -7.859 1.718 2.333 1.00 0.00 C ATOM 437 CG LYS A 29 -7.930 1.467 3.864 1.00 0.00 C ATOM 438 CD LYS A 29 -7.865 2.780 4.684 1.00 0.00 C ATOM 439 CE LYS A 29 -8.764 3.868 4.081 1.00 0.00 C ATOM 440 NZ LYS A 29 -8.734 4.982 5.068 1.00 0.00 N ATOM 0 H LYS A 29 -6.527 -0.007 1.302 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.496 2.947 1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.536 2.533 2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.218 0.830 1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.855 0.940 4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.108 0.816 4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.170 2.583 5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.836 3.137 4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.394 4.192 3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.779 3.502 3.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.327 5.765 4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.099 4.646 5.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.756 5.315 5.187 1.00 0.00 H new ATOM 454 N ILE A 30 -4.952 1.487 3.669 1.00 0.00 N ATOM 455 CA ILE A 30 -3.939 1.800 4.722 1.00 0.00 C ATOM 456 C ILE A 30 -2.670 2.311 4.042 1.00 0.00 C ATOM 457 O ILE A 30 -2.062 3.268 4.479 1.00 0.00 O ATOM 458 CB ILE A 30 -3.665 0.478 5.447 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.954 -0.032 6.097 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.610 0.699 6.536 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.763 -1.486 6.542 1.00 0.00 C ATOM 0 H ILE A 30 -5.231 0.508 3.610 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.282 2.562 5.421 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.303 -0.255 4.726 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.213 0.590 6.954 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.782 0.037 5.391 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.416 -0.242 7.051 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.688 1.061 6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.975 1.436 7.252 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.681 -1.848 7.005 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.525 -2.103 5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.947 -1.542 7.263 1.00 0.00 H new ATOM 473 N PHE A 31 -2.287 1.681 2.962 1.00 0.00 N ATOM 474 CA PHE A 31 -1.070 2.123 2.224 1.00 0.00 C ATOM 475 C PHE A 31 -1.350 3.461 1.539 1.00 0.00 C ATOM 476 O PHE A 31 -0.518 4.348 1.531 1.00 0.00 O ATOM 477 CB PHE A 31 -0.800 1.026 1.189 1.00 0.00 C ATOM 478 CG PHE A 31 -0.001 -0.092 1.820 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.169 0.193 2.535 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.430 -1.416 1.680 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.910 -0.846 3.110 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.311 -2.456 2.256 1.00 0.00 C ATOM 483 CZ PHE A 31 1.481 -2.170 2.970 1.00 0.00 C ATOM 0 H PHE A 31 -2.768 0.877 2.559 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.211 2.266 2.879 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.743 0.638 0.803 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.255 1.440 0.341 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.500 1.215 2.643 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.332 -1.636 1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.812 -0.626 3.661 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.020 -3.478 2.149 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.053 -2.972 3.413 1.00 0.00 H new ATOM 493 N LYS A 32 -2.527 3.619 0.976 1.00 0.00 N ATOM 494 CA LYS A 32 -2.873 4.904 0.304 1.00 0.00 C ATOM 495 C LYS A 32 -3.088 6.022 1.334 1.00 0.00 C ATOM 496 O LYS A 32 -3.237 7.174 0.971 1.00 0.00 O ATOM 497 CB LYS A 32 -4.158 4.643 -0.478 1.00 0.00 C ATOM 498 CG LYS A 32 -3.813 3.952 -1.797 1.00 0.00 C ATOM 499 CD LYS A 32 -5.052 3.909 -2.693 1.00 0.00 C ATOM 500 CE LYS A 32 -5.172 5.228 -3.460 1.00 0.00 C ATOM 501 NZ LYS A 32 -6.437 5.107 -4.236 1.00 0.00 N ATOM 0 H LYS A 32 -3.260 2.910 0.956 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.066 5.232 -0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.833 4.019 0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.678 5.582 -0.671 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.007 4.487 -2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.454 2.941 -1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.980 3.075 -3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.945 3.744 -2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.206 6.079 -2.780 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.317 5.381 -4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.589 5.974 -4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.373 4.293 -4.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.234 4.969 -3.582 1.00 0.00 H new ATOM 515 N GLN A 33 -3.030 5.714 2.610 1.00 0.00 N ATOM 516 CA GLN A 33 -3.147 6.784 3.643 1.00 0.00 C ATOM 517 C GLN A 33 -1.709 7.076 4.023 1.00 0.00 C ATOM 518 O GLN A 33 -1.251 8.195 4.055 1.00 0.00 O ATOM 519 CB GLN A 33 -3.924 6.165 4.806 1.00 0.00 C ATOM 520 CG GLN A 33 -4.301 7.259 5.808 1.00 0.00 C ATOM 521 CD GLN A 33 -4.717 6.616 7.134 1.00 0.00 C ATOM 522 OE1 GLN A 33 -5.129 5.474 7.169 1.00 0.00 O ATOM 523 NE2 GLN A 33 -4.625 7.309 8.237 1.00 0.00 N ATOM 0 H GLN A 33 -2.907 4.770 2.975 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.656 7.696 3.330 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.822 5.671 4.435 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.320 5.401 5.296 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.456 7.929 5.966 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.118 7.863 5.413 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.279 8.268 8.209 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.899 6.891 9.126 1.00 0.00 H new ATOM 532 N TYR A 34 -0.991 6.008 4.221 1.00 0.00 N ATOM 533 CA TYR A 34 0.468 6.046 4.509 1.00 0.00 C ATOM 534 C TYR A 34 1.184 7.036 3.573 1.00 0.00 C ATOM 535 O TYR A 34 1.885 7.931 4.002 1.00 0.00 O ATOM 536 CB TYR A 34 0.880 4.622 4.142 1.00 0.00 C ATOM 537 CG TYR A 34 2.080 4.204 4.952 1.00 0.00 C ATOM 538 CD1 TYR A 34 1.919 3.729 6.259 1.00 0.00 C ATOM 539 CD2 TYR A 34 3.359 4.295 4.391 1.00 0.00 C ATOM 540 CE1 TYR A 34 3.039 3.344 7.005 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.480 3.910 5.137 1.00 0.00 C ATOM 542 CZ TYR A 34 4.319 3.435 6.444 1.00 0.00 C ATOM 543 OH TYR A 34 5.424 3.056 7.181 1.00 0.00 O ATOM 0 H TYR A 34 -1.377 5.064 4.193 1.00 0.00 H new ATOM 0 HA TYR A 34 0.708 6.353 5.527 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.052 3.937 4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.112 4.565 3.078 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.932 3.660 6.691 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.481 4.662 3.383 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.916 2.977 8.013 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.467 3.979 4.705 1.00 0.00 H new ATOM 0 HH TYR A 34 6.234 3.181 6.644 1.00 0.00 H new ATOM 553 N ALA A 35 0.994 6.856 2.292 1.00 0.00 N ATOM 554 CA ALA A 35 1.634 7.752 1.284 1.00 0.00 C ATOM 555 C ALA A 35 1.141 9.194 1.473 1.00 0.00 C ATOM 556 O ALA A 35 1.920 10.124 1.552 1.00 0.00 O ATOM 557 CB ALA A 35 1.171 7.222 -0.081 1.00 0.00 C ATOM 0 H ALA A 35 0.414 6.116 1.896 1.00 0.00 H new ATOM 0 HA ALA A 35 2.720 7.758 1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.603 7.833 -0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.498 6.189 -0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.084 7.268 -0.139 1.00 0.00 H new ATOM 563 N ASN A 36 -0.155 9.377 1.524 1.00 0.00 N ATOM 564 CA ASN A 36 -0.729 10.753 1.683 1.00 0.00 C ATOM 565 C ASN A 36 -0.345 11.365 3.033 1.00 0.00 C ATOM 566 O ASN A 36 0.068 12.506 3.108 1.00 0.00 O ATOM 567 CB ASN A 36 -2.242 10.565 1.607 1.00 0.00 C ATOM 568 CG ASN A 36 -2.678 10.505 0.141 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.260 11.442 -0.370 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.423 9.437 -0.562 1.00 0.00 N ATOM 0 H ASN A 36 -0.846 8.629 1.462 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.352 11.430 0.917 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.531 9.648 2.121 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.747 11.387 2.114 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.712 9.389 -1.539 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.935 8.650 -0.135 1.00 0.00 H new ATOM 577 N ASP A 37 -0.495 10.619 4.102 1.00 0.00 N ATOM 578 CA ASP A 37 -0.157 11.149 5.467 1.00 0.00 C ATOM 579 C ASP A 37 1.224 11.801 5.474 1.00 0.00 C ATOM 580 O ASP A 37 1.478 12.742 6.203 1.00 0.00 O ATOM 581 CB ASP A 37 -0.175 9.928 6.390 1.00 0.00 C ATOM 582 CG ASP A 37 -0.565 10.364 7.804 1.00 0.00 C ATOM 583 OD1 ASP A 37 0.318 10.777 8.539 1.00 0.00 O ATOM 584 OD2 ASP A 37 -1.737 10.279 8.128 1.00 0.00 O ATOM 0 H ASP A 37 -0.839 9.659 4.090 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.864 11.915 5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.883 9.188 6.018 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.806 9.453 6.402 1.00 0.00 H new ATOM 589 N ASN A 38 2.100 11.312 4.650 1.00 0.00 N ATOM 590 CA ASN A 38 3.463 11.890 4.569 1.00 0.00 C ATOM 591 C ASN A 38 3.524 12.899 3.420 1.00 0.00 C ATOM 592 O ASN A 38 4.048 13.987 3.556 1.00 0.00 O ATOM 593 CB ASN A 38 4.387 10.703 4.297 1.00 0.00 C ATOM 594 CG ASN A 38 5.720 10.917 5.017 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.123 12.038 5.253 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.426 9.880 5.379 1.00 0.00 N ATOM 0 H ASN A 38 1.928 10.527 4.022 1.00 0.00 H new ATOM 0 HA ASN A 38 3.749 12.418 5.479 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.921 9.780 4.640 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.554 10.597 3.225 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.316 10.012 5.860 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.088 8.938 5.181 1.00 0.00 H new ATOM 603 N GLY A 39 2.998 12.525 2.286 1.00 0.00 N ATOM 604 CA GLY A 39 3.015 13.425 1.096 1.00 0.00 C ATOM 605 C GLY A 39 3.641 12.641 -0.045 1.00 0.00 C ATOM 606 O GLY A 39 4.714 12.962 -0.523 1.00 0.00 O ATOM 0 H GLY A 39 2.551 11.622 2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.005 13.742 0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.589 14.328 1.304 1.00 0.00 H new ATOM 610 N ILE A 40 3.003 11.572 -0.439 1.00 0.00 N ATOM 611 CA ILE A 40 3.570 10.701 -1.496 1.00 0.00 C ATOM 612 C ILE A 40 2.634 10.649 -2.707 1.00 0.00 C ATOM 613 O ILE A 40 1.428 10.574 -2.566 1.00 0.00 O ATOM 614 CB ILE A 40 3.627 9.353 -0.789 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.522 9.484 0.489 1.00 0.00 C ATOM 616 CG2 ILE A 40 4.107 8.254 -1.755 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.800 8.660 0.391 1.00 0.00 C ATOM 0 H ILE A 40 2.104 11.266 -0.067 1.00 0.00 H new ATOM 0 HA ILE A 40 4.532 11.034 -1.885 1.00 0.00 H new ATOM 0 HB ILE A 40 2.631 9.053 -0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.780 10.532 0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.953 9.164 1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.141 7.299 -1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.417 8.182 -2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.103 8.502 -2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.385 8.786 1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.546 7.608 0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.385 8.996 -0.465 1.00 0.00 H new ATOM 629 N ASP A 41 3.186 10.677 -3.888 1.00 0.00 N ATOM 630 CA ASP A 41 2.344 10.615 -5.117 1.00 0.00 C ATOM 631 C ASP A 41 2.866 9.503 -6.024 1.00 0.00 C ATOM 632 O ASP A 41 3.817 8.822 -5.683 1.00 0.00 O ATOM 633 CB ASP A 41 2.508 11.980 -5.785 1.00 0.00 C ATOM 634 CG ASP A 41 1.171 12.419 -6.388 1.00 0.00 C ATOM 635 OD1 ASP A 41 0.672 11.712 -7.248 1.00 0.00 O ATOM 636 OD2 ASP A 41 0.670 13.452 -5.977 1.00 0.00 O ATOM 0 H ASP A 41 4.190 10.741 -4.056 1.00 0.00 H new ATOM 0 HA ASP A 41 1.297 10.402 -4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.849 12.715 -5.056 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.270 11.927 -6.563 1.00 0.00 H new ATOM 641 N GLY A 42 2.272 9.318 -7.176 1.00 0.00 N ATOM 642 CA GLY A 42 2.765 8.255 -8.094 1.00 0.00 C ATOM 643 C GLY A 42 1.628 7.362 -8.587 1.00 0.00 C ATOM 644 O GLY A 42 0.474 7.556 -8.256 1.00 0.00 O ATOM 0 H GLY A 42 1.473 9.854 -7.516 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.264 8.714 -8.948 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.509 7.646 -7.580 1.00 0.00 H new ATOM 648 N GLU A 43 1.966 6.376 -9.384 1.00 0.00 N ATOM 649 CA GLU A 43 0.933 5.441 -9.922 1.00 0.00 C ATOM 650 C GLU A 43 0.694 4.290 -8.940 1.00 0.00 C ATOM 651 O GLU A 43 1.610 3.575 -8.592 1.00 0.00 O ATOM 652 CB GLU A 43 1.543 4.903 -11.212 1.00 0.00 C ATOM 653 CG GLU A 43 1.443 5.964 -12.309 1.00 0.00 C ATOM 654 CD GLU A 43 2.619 6.934 -12.190 1.00 0.00 C ATOM 655 OE1 GLU A 43 3.660 6.644 -12.754 1.00 0.00 O ATOM 656 OE2 GLU A 43 2.458 7.951 -11.536 1.00 0.00 O ATOM 0 H GLU A 43 2.920 6.180 -9.685 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.027 5.932 -10.081 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.586 4.633 -11.048 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.024 3.996 -11.521 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.447 5.489 -13.290 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.501 6.505 -12.221 1.00 0.00 H new ATOM 663 N TRP A 44 -0.527 4.102 -8.505 1.00 0.00 N ATOM 664 CA TRP A 44 -0.827 2.988 -7.551 1.00 0.00 C ATOM 665 C TRP A 44 -1.158 1.710 -8.312 1.00 0.00 C ATOM 666 O TRP A 44 -2.004 1.695 -9.188 1.00 0.00 O ATOM 667 CB TRP A 44 -2.039 3.460 -6.750 1.00 0.00 C ATOM 668 CG TRP A 44 -1.560 4.257 -5.593 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.341 5.591 -5.590 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.222 3.779 -4.270 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.883 5.961 -4.338 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.794 4.875 -3.489 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.247 2.504 -3.682 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.399 4.713 -2.164 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.851 2.336 -2.347 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.427 3.439 -1.591 1.00 0.00 C ATOM 0 H TRP A 44 -1.330 4.672 -8.769 1.00 0.00 H new ATOM 0 HA TRP A 44 0.024 2.763 -6.908 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.696 4.062 -7.378 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.621 2.605 -6.406 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.497 6.257 -6.426 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.641 6.916 -4.075 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.572 1.651 -4.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.074 5.564 -1.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.873 1.353 -1.899 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.122 3.303 -0.564 1.00 0.00 H new ATOM 687 N THR A 45 -0.495 0.637 -7.977 1.00 0.00 N ATOM 688 CA THR A 45 -0.759 -0.658 -8.669 1.00 0.00 C ATOM 689 C THR A 45 -0.706 -1.784 -7.651 1.00 0.00 C ATOM 690 O THR A 45 0.209 -1.862 -6.855 1.00 0.00 O ATOM 691 CB THR A 45 0.358 -0.841 -9.708 1.00 0.00 C ATOM 692 OG1 THR A 45 1.560 -1.220 -9.053 1.00 0.00 O ATOM 693 CG2 THR A 45 0.589 0.460 -10.476 1.00 0.00 C ATOM 0 H THR A 45 0.221 0.601 -7.251 1.00 0.00 H new ATOM 0 HA THR A 45 -1.739 -0.666 -9.147 1.00 0.00 H new ATOM 0 HB THR A 45 0.059 -1.619 -10.410 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.394 -1.310 -8.091 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.383 0.314 -11.208 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.329 0.748 -10.989 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.878 1.247 -9.780 1.00 0.00 H new ATOM 701 N TYR A 46 -1.671 -2.654 -7.676 1.00 0.00 N ATOM 702 CA TYR A 46 -1.681 -3.789 -6.711 1.00 0.00 C ATOM 703 C TYR A 46 -1.082 -5.035 -7.378 1.00 0.00 C ATOM 704 O TYR A 46 -1.290 -5.283 -8.551 1.00 0.00 O ATOM 705 CB TYR A 46 -3.161 -3.998 -6.351 1.00 0.00 C ATOM 706 CG TYR A 46 -3.321 -5.285 -5.570 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.594 -5.477 -4.393 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.176 -6.289 -6.039 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.722 -6.671 -3.678 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.303 -7.487 -5.326 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.577 -7.678 -4.144 1.00 0.00 C ATOM 712 OH TYR A 46 -3.703 -8.860 -3.445 1.00 0.00 O ATOM 0 H TYR A 46 -2.458 -2.630 -8.325 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.086 -3.594 -5.819 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.524 -3.156 -5.761 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.764 -4.035 -7.258 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.932 -4.702 -4.035 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.737 -6.140 -6.950 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.162 -6.817 -2.766 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.961 -8.264 -5.687 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.337 -9.447 -3.907 1.00 0.00 H new ATOM 722 N ASP A 47 -0.355 -5.822 -6.628 1.00 0.00 N ATOM 723 CA ASP A 47 0.247 -7.061 -7.199 1.00 0.00 C ATOM 724 C ASP A 47 -0.392 -8.286 -6.542 1.00 0.00 C ATOM 725 O ASP A 47 -0.029 -8.675 -5.447 1.00 0.00 O ATOM 726 CB ASP A 47 1.738 -6.981 -6.865 1.00 0.00 C ATOM 727 CG ASP A 47 2.344 -5.737 -7.517 1.00 0.00 C ATOM 728 OD1 ASP A 47 1.921 -5.400 -8.611 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.221 -5.142 -6.912 1.00 0.00 O ATOM 0 H ASP A 47 -0.152 -5.658 -5.642 1.00 0.00 H new ATOM 0 HA ASP A 47 0.087 -7.147 -8.274 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.877 -6.942 -5.785 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.249 -7.876 -7.220 1.00 0.00 H new ATOM 734 N ASP A 48 -1.345 -8.893 -7.206 1.00 0.00 N ATOM 735 CA ASP A 48 -2.027 -10.096 -6.627 1.00 0.00 C ATOM 736 C ASP A 48 -1.096 -11.320 -6.608 1.00 0.00 C ATOM 737 O ASP A 48 -1.459 -12.367 -6.104 1.00 0.00 O ATOM 738 CB ASP A 48 -3.225 -10.354 -7.543 1.00 0.00 C ATOM 739 CG ASP A 48 -4.114 -11.437 -6.928 1.00 0.00 C ATOM 740 OD1 ASP A 48 -4.975 -11.089 -6.138 1.00 0.00 O ATOM 741 OD2 ASP A 48 -3.917 -12.594 -7.257 1.00 0.00 O ATOM 0 H ASP A 48 -1.682 -8.608 -8.126 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.322 -9.924 -5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.795 -9.435 -7.681 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.882 -10.667 -8.529 1.00 0.00 H new ATOM 746 N ALA A 49 0.095 -11.202 -7.144 1.00 0.00 N ATOM 747 CA ALA A 49 1.041 -12.354 -7.147 1.00 0.00 C ATOM 748 C ALA A 49 1.918 -12.305 -5.896 1.00 0.00 C ATOM 749 O ALA A 49 2.384 -13.321 -5.416 1.00 0.00 O ATOM 750 CB ALA A 49 1.890 -12.170 -8.405 1.00 0.00 C ATOM 0 H ALA A 49 0.451 -10.352 -7.581 1.00 0.00 H new ATOM 0 HA ALA A 49 0.527 -13.315 -7.144 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.613 -12.982 -8.478 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.245 -12.178 -9.284 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.418 -11.218 -8.352 1.00 0.00 H new ATOM 756 N THR A 50 2.133 -11.129 -5.358 1.00 0.00 N ATOM 757 CA THR A 50 2.966 -11.006 -4.130 1.00 0.00 C ATOM 758 C THR A 50 2.235 -10.163 -3.079 1.00 0.00 C ATOM 759 O THR A 50 2.804 -9.797 -2.068 1.00 0.00 O ATOM 760 CB THR A 50 4.245 -10.306 -4.586 1.00 0.00 C ATOM 761 OG1 THR A 50 3.916 -9.053 -5.170 1.00 0.00 O ATOM 762 CG2 THR A 50 4.961 -11.180 -5.614 1.00 0.00 C ATOM 0 H THR A 50 1.765 -10.249 -5.720 1.00 0.00 H new ATOM 0 HA THR A 50 3.174 -11.973 -3.673 1.00 0.00 H new ATOM 0 HB THR A 50 4.899 -10.144 -3.729 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.736 -8.602 -5.461 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.874 -10.683 -5.941 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.212 -12.140 -5.163 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.308 -11.341 -6.472 1.00 0.00 H new ATOM 770 N LYS A 51 0.975 -9.840 -3.309 1.00 0.00 N ATOM 771 CA LYS A 51 0.206 -9.010 -2.326 1.00 0.00 C ATOM 772 C LYS A 51 0.965 -7.715 -2.021 1.00 0.00 C ATOM 773 O LYS A 51 1.091 -7.312 -0.881 1.00 0.00 O ATOM 774 CB LYS A 51 0.082 -9.873 -1.062 1.00 0.00 C ATOM 775 CG LYS A 51 -0.643 -11.184 -1.396 1.00 0.00 C ATOM 776 CD LYS A 51 -2.087 -11.122 -0.888 1.00 0.00 C ATOM 777 CE LYS A 51 -2.631 -12.544 -0.711 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.334 -12.528 0.603 1.00 0.00 N ATOM 0 H LYS A 51 0.450 -10.119 -4.138 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.773 -8.725 -2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.072 -10.087 -0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.466 -9.330 -0.292 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.634 -11.351 -2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.122 -12.025 -0.938 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.127 -10.586 0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.708 -10.569 -1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.312 -12.809 -1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.826 -13.278 -0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.734 -13.469 0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.660 -12.279 1.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.100 -11.825 0.578 1.00 0.00 H new ATOM 792 N THR A 52 1.484 -7.075 -3.038 1.00 0.00 N ATOM 793 CA THR A 52 2.250 -5.810 -2.812 1.00 0.00 C ATOM 794 C THR A 52 1.759 -4.693 -3.742 1.00 0.00 C ATOM 795 O THR A 52 1.659 -4.869 -4.940 1.00 0.00 O ATOM 796 CB THR A 52 3.701 -6.168 -3.136 1.00 0.00 C ATOM 797 OG1 THR A 52 4.097 -7.287 -2.356 1.00 0.00 O ATOM 798 CG2 THR A 52 4.605 -4.976 -2.816 1.00 0.00 C ATOM 0 H THR A 52 1.412 -7.371 -4.011 1.00 0.00 H new ATOM 0 HA THR A 52 2.127 -5.441 -1.794 1.00 0.00 H new ATOM 0 HB THR A 52 3.787 -6.414 -4.194 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.014 -8.104 -2.891 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.639 -5.231 -3.047 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.301 -4.118 -3.415 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.520 -4.729 -1.758 1.00 0.00 H new ATOM 806 N PHE A 53 1.474 -3.538 -3.192 1.00 0.00 N ATOM 807 CA PHE A 53 1.012 -2.391 -4.033 1.00 0.00 C ATOM 808 C PHE A 53 2.242 -1.593 -4.494 1.00 0.00 C ATOM 809 O PHE A 53 3.358 -1.981 -4.199 1.00 0.00 O ATOM 810 CB PHE A 53 0.122 -1.559 -3.111 1.00 0.00 C ATOM 811 CG PHE A 53 -1.131 -2.335 -2.769 1.00 0.00 C ATOM 812 CD1 PHE A 53 -1.093 -3.334 -1.785 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.334 -2.051 -3.428 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.255 -4.045 -1.459 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.494 -2.765 -3.103 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.456 -3.760 -2.118 1.00 0.00 C ATOM 0 H PHE A 53 1.542 -3.340 -2.194 1.00 0.00 H new ATOM 0 HA PHE A 53 0.468 -2.697 -4.927 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.664 -1.305 -2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.142 -0.620 -3.597 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.166 -3.555 -1.278 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.367 -1.282 -4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.224 -4.812 -0.700 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.421 -2.548 -3.613 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.353 -4.307 -1.867 1.00 0.00 H new ATOM 826 N THR A 54 2.074 -0.486 -5.201 1.00 0.00 N ATOM 827 CA THR A 54 3.268 0.288 -5.648 1.00 0.00 C ATOM 828 C THR A 54 2.848 1.694 -6.041 1.00 0.00 C ATOM 829 O THR A 54 1.998 1.877 -6.884 1.00 0.00 O ATOM 830 CB THR A 54 3.813 -0.455 -6.873 1.00 0.00 C ATOM 831 OG1 THR A 54 4.032 -1.822 -6.554 1.00 0.00 O ATOM 832 CG2 THR A 54 5.133 0.185 -7.308 1.00 0.00 C ATOM 0 H THR A 54 1.172 -0.099 -5.479 1.00 0.00 H new ATOM 0 HA THR A 54 4.017 0.369 -4.861 1.00 0.00 H new ATOM 0 HB THR A 54 3.088 -0.390 -7.684 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.322 -1.898 -5.621 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.523 -0.341 -8.179 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.964 1.231 -7.562 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.854 0.122 -6.493 1.00 0.00 H new ATOM 840 N VAL A 55 3.452 2.683 -5.448 1.00 0.00 N ATOM 841 CA VAL A 55 3.112 4.098 -5.793 1.00 0.00 C ATOM 842 C VAL A 55 4.372 4.766 -6.359 1.00 0.00 C ATOM 843 O VAL A 55 5.214 5.261 -5.635 1.00 0.00 O ATOM 844 CB VAL A 55 2.587 4.755 -4.478 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.406 4.314 -3.260 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.624 6.285 -4.573 1.00 0.00 C ATOM 0 H VAL A 55 4.172 2.576 -4.734 1.00 0.00 H new ATOM 0 HA VAL A 55 2.340 4.195 -6.556 1.00 0.00 H new ATOM 0 HB VAL A 55 1.557 4.422 -4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.011 4.792 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.343 3.231 -3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.447 4.605 -3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.253 6.716 -3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.649 6.614 -4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.996 6.613 -5.401 1.00 0.00 H new ATOM 856 N THR A 56 4.511 4.740 -7.666 1.00 0.00 N ATOM 857 CA THR A 56 5.719 5.326 -8.321 1.00 0.00 C ATOM 858 C THR A 56 5.545 6.853 -8.491 1.00 0.00 C ATOM 859 O THR A 56 4.925 7.331 -9.419 1.00 0.00 O ATOM 860 CB THR A 56 5.846 4.511 -9.653 1.00 0.00 C ATOM 861 OG1 THR A 56 7.068 3.793 -9.637 1.00 0.00 O ATOM 862 CG2 THR A 56 5.816 5.384 -10.914 1.00 0.00 C ATOM 0 H THR A 56 3.831 4.334 -8.309 1.00 0.00 H new ATOM 0 HA THR A 56 6.642 5.243 -7.748 1.00 0.00 H new ATOM 0 HB THR A 56 4.981 3.849 -9.698 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.156 3.279 -10.467 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.909 4.751 -11.797 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.874 5.930 -10.956 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.644 6.092 -10.886 1.00 0.00 H new ATOM 870 N GLU A 57 6.078 7.618 -7.571 1.00 0.00 N ATOM 871 CA GLU A 57 5.941 9.110 -7.651 1.00 0.00 C ATOM 872 C GLU A 57 6.524 9.631 -8.968 1.00 0.00 C ATOM 873 O GLU A 57 5.809 10.318 -9.679 1.00 0.00 O ATOM 874 CB GLU A 57 6.743 9.648 -6.464 1.00 0.00 C ATOM 875 CG GLU A 57 6.296 11.076 -6.146 1.00 0.00 C ATOM 876 CD GLU A 57 7.475 11.864 -5.574 1.00 0.00 C ATOM 877 OE1 GLU A 57 8.459 12.014 -6.280 1.00 0.00 O ATOM 878 OE2 GLU A 57 7.376 12.304 -4.440 1.00 0.00 O ATOM 879 OXT GLU A 57 7.674 9.332 -9.243 1.00 0.00 O ATOM 0 H GLU A 57 6.603 7.276 -6.766 1.00 0.00 H new ATOM 0 HA GLU A 57 4.899 9.427 -7.619 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.597 9.008 -5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.808 9.633 -6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.924 11.561 -7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.474 11.060 -5.430 1.00 0.00 H new