USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=17 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 44 THR OG1 : rot 160:sc= -0.711 USER MOD Set 1.2: A 53 THR OG1 : rot 136:sc= -0.166 USER MOD Set 2.1: A 1 THR N :NH3+ 170:sc= 0.0899 (180deg=0.0105) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -155:sc= 1.03 (180deg=0.638) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0542 USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= -1.65 (180deg=-1.93) USER MOD Single : A 8 ASN : amide:sc= -0.522 K(o=-0.52,f=-3.2!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 41:sc= -0.194 USER MOD Single : A 25 THR OG1 : rot -160:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.2) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -40:sc= 1.02 USER MOD Single : A 51 THR OG1 : rot 105:sc= -2.99! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 13.447 6.581 3.851 1.00 0.00 N ATOM 2 CA THR A 1 12.423 6.112 4.830 1.00 0.00 C ATOM 3 C THR A 1 11.767 4.821 4.333 1.00 0.00 C ATOM 4 O THR A 1 11.750 4.541 3.149 1.00 0.00 O ATOM 5 CB THR A 1 11.397 7.244 4.901 1.00 0.00 C ATOM 6 OG1 THR A 1 12.063 8.468 5.177 1.00 0.00 O ATOM 7 CG2 THR A 1 10.385 6.949 6.010 1.00 0.00 C ATOM 0 H1 THR A 1 13.763 7.537 4.110 1.00 0.00 H new ATOM 0 H2 THR A 1 14.260 5.933 3.862 1.00 0.00 H new ATOM 0 H3 THR A 1 13.032 6.600 2.897 1.00 0.00 H new ATOM 0 HA THR A 1 12.855 5.891 5.806 1.00 0.00 H new ATOM 0 HB THR A 1 10.874 7.322 3.948 1.00 0.00 H new ATOM 0 HG1 THR A 1 11.407 9.195 5.221 1.00 0.00 H new ATOM 0 HG21 THR A 1 9.654 7.756 6.060 1.00 0.00 H new ATOM 0 HG22 THR A 1 9.874 6.010 5.796 1.00 0.00 H new ATOM 0 HG23 THR A 1 10.904 6.870 6.965 1.00 0.00 H new ATOM 17 N THR A 2 11.227 4.036 5.231 1.00 0.00 N ATOM 18 CA THR A 2 10.567 2.758 4.818 1.00 0.00 C ATOM 19 C THR A 2 9.397 3.048 3.876 1.00 0.00 C ATOM 20 O THR A 2 8.888 4.152 3.827 1.00 0.00 O ATOM 21 CB THR A 2 10.064 2.124 6.118 1.00 0.00 C ATOM 22 OG1 THR A 2 11.050 2.278 7.130 1.00 0.00 O ATOM 23 CG2 THR A 2 9.791 0.637 5.892 1.00 0.00 C ATOM 0 H THR A 2 11.214 4.224 6.233 1.00 0.00 H new ATOM 0 HA THR A 2 11.251 2.098 4.284 1.00 0.00 H new ATOM 0 HB THR A 2 9.142 2.616 6.429 1.00 0.00 H new ATOM 0 HG1 THR A 2 10.729 1.874 7.963 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.433 0.188 6.818 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.035 0.520 5.116 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.710 0.142 5.580 1.00 0.00 H new ATOM 31 N PHE A 3 8.975 2.063 3.126 1.00 0.00 N ATOM 32 CA PHE A 3 7.840 2.272 2.176 1.00 0.00 C ATOM 33 C PHE A 3 6.571 2.653 2.943 1.00 0.00 C ATOM 34 O PHE A 3 6.527 2.583 4.157 1.00 0.00 O ATOM 35 CB PHE A 3 7.666 0.930 1.454 1.00 0.00 C ATOM 36 CG PHE A 3 8.948 0.568 0.729 1.00 0.00 C ATOM 37 CD1 PHE A 3 9.581 1.510 -0.096 1.00 0.00 C ATOM 38 CD2 PHE A 3 9.503 -0.709 0.881 1.00 0.00 C ATOM 39 CE1 PHE A 3 10.764 1.174 -0.765 1.00 0.00 C ATOM 40 CE2 PHE A 3 10.686 -1.044 0.211 1.00 0.00 C ATOM 41 CZ PHE A 3 11.316 -0.103 -0.611 1.00 0.00 C ATOM 0 H PHE A 3 9.367 1.122 3.130 1.00 0.00 H new ATOM 0 HA PHE A 3 8.033 3.082 1.472 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.411 0.151 2.172 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.841 0.992 0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 3 9.155 2.495 -0.215 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.018 -1.436 1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 3 11.251 1.900 -1.400 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.112 -2.029 0.329 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.229 -0.362 -1.127 1.00 0.00 H new ATOM 51 N LYS A 4 5.545 3.069 2.244 1.00 0.00 N ATOM 52 CA LYS A 4 4.279 3.472 2.928 1.00 0.00 C ATOM 53 C LYS A 4 3.080 3.259 2.000 1.00 0.00 C ATOM 54 O LYS A 4 3.197 3.350 0.796 1.00 0.00 O ATOM 55 CB LYS A 4 4.467 4.965 3.229 1.00 0.00 C ATOM 56 CG LYS A 4 3.214 5.536 3.901 1.00 0.00 C ATOM 57 CD LYS A 4 3.120 5.034 5.340 1.00 0.00 C ATOM 58 CE LYS A 4 1.996 5.780 6.061 1.00 0.00 C ATOM 59 NZ LYS A 4 1.791 5.030 7.332 1.00 0.00 N ATOM 0 H LYS A 4 5.530 3.147 1.227 1.00 0.00 H new ATOM 0 HA LYS A 4 4.086 2.887 3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.332 5.106 3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.670 5.506 2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.249 6.625 3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.325 5.239 3.344 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.927 3.961 5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.067 5.193 5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.271 6.817 6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.086 5.798 5.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.107 5.538 7.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.426 4.080 7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.697 4.948 7.837 1.00 0.00 H new ATOM 73 N LEU A 5 1.926 2.998 2.561 1.00 0.00 N ATOM 74 CA LEU A 5 0.702 2.803 1.728 1.00 0.00 C ATOM 75 C LEU A 5 -0.539 3.162 2.544 1.00 0.00 C ATOM 76 O LEU A 5 -0.771 2.620 3.609 1.00 0.00 O ATOM 77 CB LEU A 5 0.671 1.320 1.344 1.00 0.00 C ATOM 78 CG LEU A 5 -0.114 1.148 0.030 1.00 0.00 C ATOM 79 CD1 LEU A 5 0.633 0.193 -0.908 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.505 0.583 0.336 1.00 0.00 C ATOM 0 H LEU A 5 1.779 2.911 3.567 1.00 0.00 H new ATOM 0 HA LEU A 5 0.715 3.438 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.687 0.942 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.205 0.737 2.138 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.212 2.119 -0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.070 0.078 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.619 0.600 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.742 -0.779 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.061 0.461 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.405 -0.384 0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.041 1.270 0.992 1.00 0.00 H new ATOM 92 N ILE A 6 -1.333 4.073 2.053 1.00 0.00 N ATOM 93 CA ILE A 6 -2.563 4.483 2.790 1.00 0.00 C ATOM 94 C ILE A 6 -3.774 3.713 2.246 1.00 0.00 C ATOM 95 O ILE A 6 -3.947 3.575 1.050 1.00 0.00 O ATOM 96 CB ILE A 6 -2.672 5.988 2.520 1.00 0.00 C ATOM 97 CG1 ILE A 6 -1.525 6.707 3.253 1.00 0.00 C ATOM 98 CG2 ILE A 6 -4.028 6.535 3.000 1.00 0.00 C ATOM 99 CD1 ILE A 6 -1.678 6.552 4.771 1.00 0.00 C ATOM 0 H ILE A 6 -1.182 4.555 1.167 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.526 4.269 3.858 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.600 6.165 1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.567 6.296 2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.522 7.764 2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.081 7.605 2.797 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.834 6.025 2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.131 6.363 4.071 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.859 7.066 5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.627 6.985 5.087 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.657 5.494 5.033 1.00 0.00 H new ATOM 111 N ILE A 7 -4.606 3.211 3.123 1.00 0.00 N ATOM 112 CA ILE A 7 -5.806 2.444 2.673 1.00 0.00 C ATOM 113 C ILE A 7 -6.998 3.389 2.491 1.00 0.00 C ATOM 114 O ILE A 7 -7.534 3.917 3.446 1.00 0.00 O ATOM 115 CB ILE A 7 -6.081 1.434 3.793 1.00 0.00 C ATOM 116 CG1 ILE A 7 -4.858 0.531 3.983 1.00 0.00 C ATOM 117 CG2 ILE A 7 -7.290 0.571 3.423 1.00 0.00 C ATOM 118 CD1 ILE A 7 -5.009 -0.267 5.280 1.00 0.00 C ATOM 0 H ILE A 7 -4.505 3.300 4.134 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.644 1.949 1.715 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.286 1.973 4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.759 -0.147 3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.950 1.133 4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.483 -0.146 4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.164 1.208 3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.085 0.036 2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.139 -0.910 5.415 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.087 0.420 6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.908 -0.881 5.227 1.00 0.00 H new ATOM 130 N ASN A 8 -7.414 3.598 1.268 1.00 0.00 N ATOM 131 CA ASN A 8 -8.574 4.501 1.010 1.00 0.00 C ATOM 132 C ASN A 8 -9.799 3.671 0.616 1.00 0.00 C ATOM 133 O ASN A 8 -10.409 3.896 -0.413 1.00 0.00 O ATOM 134 CB ASN A 8 -8.130 5.394 -0.151 1.00 0.00 C ATOM 135 CG ASN A 8 -7.311 6.574 0.382 1.00 0.00 C ATOM 136 OD1 ASN A 8 -6.890 6.577 1.523 1.00 0.00 O ATOM 137 ND2 ASN A 8 -7.064 7.585 -0.404 1.00 0.00 N ATOM 0 H ASN A 8 -6.998 3.181 0.435 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.852 5.087 1.886 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.534 4.817 -0.858 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.002 5.761 -0.693 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.519 8.376 -0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.416 7.585 -1.361 1.00 0.00 H new ATOM 144 N GLY A 9 -10.154 2.709 1.429 1.00 0.00 N ATOM 145 CA GLY A 9 -11.332 1.851 1.112 1.00 0.00 C ATOM 146 C GLY A 9 -12.620 2.565 1.522 1.00 0.00 C ATOM 147 O GLY A 9 -12.621 3.418 2.390 1.00 0.00 O ATOM 0 H GLY A 9 -9.676 2.481 2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.354 1.627 0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.251 0.899 1.636 1.00 0.00 H new ATOM 151 N LYS A 10 -13.715 2.222 0.894 1.00 0.00 N ATOM 152 CA LYS A 10 -15.019 2.872 1.223 1.00 0.00 C ATOM 153 C LYS A 10 -15.354 2.694 2.708 1.00 0.00 C ATOM 154 O LYS A 10 -15.956 3.554 3.323 1.00 0.00 O ATOM 155 CB LYS A 10 -16.056 2.158 0.351 1.00 0.00 C ATOM 156 CG LYS A 10 -15.712 2.363 -1.127 1.00 0.00 C ATOM 157 CD LYS A 10 -16.905 1.950 -1.991 1.00 0.00 C ATOM 158 CE LYS A 10 -16.742 2.530 -3.398 1.00 0.00 C ATOM 159 NZ LYS A 10 -18.132 2.767 -3.878 1.00 0.00 N ATOM 0 H LYS A 10 -13.762 1.514 0.161 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.995 3.945 1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.074 1.094 0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.052 2.547 0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.460 3.407 -1.311 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.835 1.772 -1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.973 0.863 -2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.832 2.308 -1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -16.167 3.456 -3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.211 1.838 -4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.104 3.165 -4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.653 1.867 -3.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.610 3.435 -3.240 1.00 0.00 H new ATOM 173 N THR A 11 -14.970 1.582 3.284 1.00 0.00 N ATOM 174 CA THR A 11 -15.265 1.340 4.728 1.00 0.00 C ATOM 175 C THR A 11 -13.966 1.114 5.506 1.00 0.00 C ATOM 176 O THR A 11 -13.794 1.617 6.600 1.00 0.00 O ATOM 177 CB THR A 11 -16.130 0.078 4.749 1.00 0.00 C ATOM 178 OG1 THR A 11 -17.140 0.183 3.756 1.00 0.00 O ATOM 179 CG2 THR A 11 -16.778 -0.076 6.126 1.00 0.00 C ATOM 0 H THR A 11 -14.464 0.831 2.815 1.00 0.00 H new ATOM 0 HA THR A 11 -15.768 2.188 5.193 1.00 0.00 H new ATOM 0 HB THR A 11 -15.508 -0.793 4.544 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.694 -0.625 3.766 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.394 -0.975 6.140 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.001 -0.156 6.887 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.401 0.794 6.334 1.00 0.00 H new ATOM 187 N LEU A 12 -13.055 0.358 4.948 1.00 0.00 N ATOM 188 CA LEU A 12 -11.763 0.092 5.649 1.00 0.00 C ATOM 189 C LEU A 12 -10.722 1.145 5.260 1.00 0.00 C ATOM 190 O LEU A 12 -10.579 1.491 4.103 1.00 0.00 O ATOM 191 CB LEU A 12 -11.330 -1.293 5.168 1.00 0.00 C ATOM 192 CG LEU A 12 -12.299 -2.346 5.707 1.00 0.00 C ATOM 193 CD1 LEU A 12 -12.289 -3.568 4.787 1.00 0.00 C ATOM 194 CD2 LEU A 12 -11.865 -2.766 7.113 1.00 0.00 C ATOM 0 H LEU A 12 -13.151 -0.087 4.035 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.866 0.134 6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.313 -1.323 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.317 -1.508 5.508 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.305 -1.927 5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.980 -4.318 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.597 -3.271 3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.283 -3.986 4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.555 -3.517 7.498 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.859 -3.184 7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.871 -1.897 7.770 1.00 0.00 H new ATOM 206 N LYS A 13 -9.995 1.655 6.223 1.00 0.00 N ATOM 207 CA LYS A 13 -8.959 2.687 5.921 1.00 0.00 C ATOM 208 C LYS A 13 -7.759 2.522 6.859 1.00 0.00 C ATOM 209 O LYS A 13 -7.706 1.603 7.653 1.00 0.00 O ATOM 210 CB LYS A 13 -9.652 4.028 6.167 1.00 0.00 C ATOM 211 CG LYS A 13 -10.258 4.538 4.858 1.00 0.00 C ATOM 212 CD LYS A 13 -11.278 5.638 5.161 1.00 0.00 C ATOM 213 CE LYS A 13 -10.576 6.998 5.167 1.00 0.00 C ATOM 214 NZ LYS A 13 -11.554 7.937 4.550 1.00 0.00 N ATOM 0 H LYS A 13 -10.076 1.400 7.207 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.579 2.606 4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.431 3.914 6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.937 4.753 6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.473 4.925 4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.739 3.718 4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.071 5.629 4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.749 5.456 6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.319 7.305 6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.647 6.965 4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.145 8.893 4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.775 7.623 3.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.426 7.952 5.117 1.00 0.00 H new ATOM 228 N GLY A 14 -6.800 3.409 6.771 1.00 0.00 N ATOM 229 CA GLY A 14 -5.602 3.313 7.653 1.00 0.00 C ATOM 230 C GLY A 14 -4.331 3.488 6.819 1.00 0.00 C ATOM 231 O GLY A 14 -4.358 4.058 5.744 1.00 0.00 O ATOM 0 H GLY A 14 -6.797 4.197 6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.648 4.078 8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.587 2.347 8.158 1.00 0.00 H new ATOM 235 N GLU A 15 -3.219 3.004 7.311 1.00 0.00 N ATOM 236 CA GLU A 15 -1.937 3.137 6.557 1.00 0.00 C ATOM 237 C GLU A 15 -1.028 1.936 6.846 1.00 0.00 C ATOM 238 O GLU A 15 -1.331 1.114 7.691 1.00 0.00 O ATOM 239 CB GLU A 15 -1.309 4.438 7.071 1.00 0.00 C ATOM 240 CG GLU A 15 -1.054 4.343 8.580 1.00 0.00 C ATOM 241 CD GLU A 15 -1.209 5.727 9.212 1.00 0.00 C ATOM 242 OE1 GLU A 15 -2.332 6.197 9.293 1.00 0.00 O ATOM 243 OE2 GLU A 15 -0.202 6.293 9.605 1.00 0.00 O ATOM 0 H GLU A 15 -3.144 2.521 8.206 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.088 3.162 5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.372 4.630 6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.970 5.278 6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.755 3.643 9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.052 3.957 8.767 1.00 0.00 H new ATOM 250 N THR A 16 0.082 1.829 6.155 1.00 0.00 N ATOM 251 CA THR A 16 1.005 0.676 6.400 1.00 0.00 C ATOM 252 C THR A 16 2.355 0.888 5.705 1.00 0.00 C ATOM 253 O THR A 16 2.436 1.484 4.648 1.00 0.00 O ATOM 254 CB THR A 16 0.288 -0.547 5.814 1.00 0.00 C ATOM 255 OG1 THR A 16 1.103 -1.697 5.989 1.00 0.00 O ATOM 256 CG2 THR A 16 0.019 -0.335 4.320 1.00 0.00 C ATOM 0 H THR A 16 0.387 2.486 5.437 1.00 0.00 H new ATOM 0 HA THR A 16 1.221 0.558 7.462 1.00 0.00 H new ATOM 0 HB THR A 16 -0.662 -0.685 6.329 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.647 -2.481 5.617 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.490 -1.209 3.914 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.609 0.546 4.185 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.964 -0.191 3.797 1.00 0.00 H new ATOM 264 N THR A 17 3.410 0.385 6.294 1.00 0.00 N ATOM 265 CA THR A 17 4.764 0.526 5.683 1.00 0.00 C ATOM 266 C THR A 17 5.480 -0.823 5.706 1.00 0.00 C ATOM 267 O THR A 17 5.153 -1.691 6.494 1.00 0.00 O ATOM 268 CB THR A 17 5.512 1.524 6.565 1.00 0.00 C ATOM 269 OG1 THR A 17 5.555 1.033 7.898 1.00 0.00 O ATOM 270 CG2 THR A 17 4.803 2.876 6.541 1.00 0.00 C ATOM 0 H THR A 17 3.390 -0.121 7.179 1.00 0.00 H new ATOM 0 HA THR A 17 4.711 0.861 4.647 1.00 0.00 H new ATOM 0 HB THR A 17 6.526 1.648 6.186 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.036 1.670 8.466 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.343 3.581 7.173 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.773 3.253 5.519 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.786 2.760 6.915 1.00 0.00 H new ATOM 278 N THR A 18 6.455 -1.007 4.853 1.00 0.00 N ATOM 279 CA THR A 18 7.192 -2.295 4.829 1.00 0.00 C ATOM 280 C THR A 18 8.669 -2.034 4.472 1.00 0.00 C ATOM 281 O THR A 18 9.004 -1.035 3.865 1.00 0.00 O ATOM 282 CB THR A 18 6.433 -3.146 3.772 1.00 0.00 C ATOM 283 OG1 THR A 18 5.723 -4.180 4.446 1.00 0.00 O ATOM 284 CG2 THR A 18 7.390 -3.776 2.753 1.00 0.00 C ATOM 0 H THR A 18 6.769 -0.316 4.172 1.00 0.00 H new ATOM 0 HA THR A 18 7.221 -2.818 5.785 1.00 0.00 H new ATOM 0 HB THR A 18 5.751 -2.491 3.229 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.319 -3.820 5.263 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.820 -4.362 2.032 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.935 -2.989 2.231 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.097 -4.425 3.270 1.00 0.00 H new ATOM 292 N GLU A 19 9.539 -2.941 4.835 1.00 0.00 N ATOM 293 CA GLU A 19 10.986 -2.775 4.511 1.00 0.00 C ATOM 294 C GLU A 19 11.405 -3.846 3.502 1.00 0.00 C ATOM 295 O GLU A 19 11.340 -5.029 3.782 1.00 0.00 O ATOM 296 CB GLU A 19 11.719 -2.968 5.839 1.00 0.00 C ATOM 297 CG GLU A 19 13.181 -2.547 5.680 1.00 0.00 C ATOM 298 CD GLU A 19 14.063 -3.415 6.580 1.00 0.00 C ATOM 299 OE1 GLU A 19 14.036 -4.623 6.415 1.00 0.00 O ATOM 300 OE2 GLU A 19 14.751 -2.856 7.418 1.00 0.00 O ATOM 0 H GLU A 19 9.307 -3.794 5.345 1.00 0.00 H new ATOM 0 HA GLU A 19 11.210 -1.804 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.242 -2.376 6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.661 -4.011 6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.490 -2.652 4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.298 -1.496 5.943 1.00 0.00 H new ATOM 307 N ALA A 20 11.820 -3.443 2.328 1.00 0.00 N ATOM 308 CA ALA A 20 12.227 -4.441 1.294 1.00 0.00 C ATOM 309 C ALA A 20 13.274 -3.849 0.348 1.00 0.00 C ATOM 310 O ALA A 20 13.664 -2.704 0.475 1.00 0.00 O ATOM 311 CB ALA A 20 10.938 -4.753 0.534 1.00 0.00 C ATOM 0 H ALA A 20 11.894 -2.467 2.041 1.00 0.00 H new ATOM 0 HA ALA A 20 12.678 -5.330 1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.145 -5.482 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.199 -5.161 1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.550 -3.839 0.085 1.00 0.00 H new ATOM 317 N VAL A 21 13.727 -4.629 -0.601 1.00 0.00 N ATOM 318 CA VAL A 21 14.751 -4.128 -1.570 1.00 0.00 C ATOM 319 C VAL A 21 14.198 -2.935 -2.356 1.00 0.00 C ATOM 320 O VAL A 21 14.932 -2.060 -2.772 1.00 0.00 O ATOM 321 CB VAL A 21 15.039 -5.309 -2.508 1.00 0.00 C ATOM 322 CG1 VAL A 21 15.600 -6.479 -1.697 1.00 0.00 C ATOM 323 CG2 VAL A 21 13.748 -5.752 -3.212 1.00 0.00 C ATOM 0 H VAL A 21 13.431 -5.594 -0.747 1.00 0.00 H new ATOM 0 HA VAL A 21 15.656 -3.785 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 21 15.766 -4.997 -3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.805 -7.318 -2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.523 -6.172 -1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.872 -6.782 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.964 -6.590 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.014 -6.059 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.348 -4.922 -3.795 1.00 0.00 H new ATOM 333 N ASP A 22 12.906 -2.901 -2.559 1.00 0.00 N ATOM 334 CA ASP A 22 12.288 -1.774 -3.316 1.00 0.00 C ATOM 335 C ASP A 22 10.779 -1.744 -3.060 1.00 0.00 C ATOM 336 O ASP A 22 10.194 -2.727 -2.646 1.00 0.00 O ATOM 337 CB ASP A 22 12.584 -2.076 -4.788 1.00 0.00 C ATOM 338 CG ASP A 22 12.000 -0.970 -5.671 1.00 0.00 C ATOM 339 OD1 ASP A 22 10.813 -1.025 -5.948 1.00 0.00 O ATOM 340 OD2 ASP A 22 12.750 -0.087 -6.053 1.00 0.00 O ATOM 0 H ASP A 22 12.250 -3.610 -2.231 1.00 0.00 H new ATOM 0 HA ASP A 22 12.682 -0.802 -3.018 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.660 -2.149 -4.945 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.156 -3.039 -5.065 1.00 0.00 H new ATOM 345 N ALA A 23 10.150 -0.623 -3.300 1.00 0.00 N ATOM 346 CA ALA A 23 8.676 -0.524 -3.068 1.00 0.00 C ATOM 347 C ALA A 23 7.931 -1.510 -3.968 1.00 0.00 C ATOM 348 O ALA A 23 6.858 -1.977 -3.632 1.00 0.00 O ATOM 349 CB ALA A 23 8.306 0.918 -3.421 1.00 0.00 C ATOM 0 H ALA A 23 10.592 0.228 -3.646 1.00 0.00 H new ATOM 0 HA ALA A 23 8.406 -0.768 -2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.236 1.065 -3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.858 1.603 -2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.560 1.114 -4.463 1.00 0.00 H new ATOM 355 N ALA A 24 8.494 -1.841 -5.105 1.00 0.00 N ATOM 356 CA ALA A 24 7.820 -2.811 -6.024 1.00 0.00 C ATOM 357 C ALA A 24 7.636 -4.152 -5.308 1.00 0.00 C ATOM 358 O ALA A 24 6.562 -4.726 -5.308 1.00 0.00 O ATOM 359 CB ALA A 24 8.765 -2.965 -7.218 1.00 0.00 C ATOM 0 H ALA A 24 9.390 -1.482 -5.436 1.00 0.00 H new ATOM 0 HA ALA A 24 6.834 -2.469 -6.338 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.334 -3.664 -7.935 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.908 -1.996 -7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.727 -3.345 -6.874 1.00 0.00 H new ATOM 365 N THR A 25 8.677 -4.640 -4.685 1.00 0.00 N ATOM 366 CA THR A 25 8.577 -5.935 -3.947 1.00 0.00 C ATOM 367 C THR A 25 7.639 -5.767 -2.746 1.00 0.00 C ATOM 368 O THR A 25 6.759 -6.580 -2.513 1.00 0.00 O ATOM 369 CB THR A 25 10.015 -6.248 -3.489 1.00 0.00 C ATOM 370 OG1 THR A 25 10.798 -6.602 -4.620 1.00 0.00 O ATOM 371 CG2 THR A 25 10.020 -7.410 -2.484 1.00 0.00 C ATOM 0 H THR A 25 9.595 -4.196 -4.655 1.00 0.00 H new ATOM 0 HA THR A 25 8.172 -6.741 -4.559 1.00 0.00 H new ATOM 0 HB THR A 25 10.432 -5.364 -3.005 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.591 -7.097 -4.327 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.044 -7.617 -2.172 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.423 -7.140 -1.613 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.597 -8.299 -2.953 1.00 0.00 H new ATOM 379 N ALA A 26 7.827 -4.720 -1.980 1.00 0.00 N ATOM 380 CA ALA A 26 6.956 -4.505 -0.788 1.00 0.00 C ATOM 381 C ALA A 26 5.493 -4.403 -1.214 1.00 0.00 C ATOM 382 O ALA A 26 4.663 -5.169 -0.778 1.00 0.00 O ATOM 383 CB ALA A 26 7.418 -3.183 -0.167 1.00 0.00 C ATOM 0 H ALA A 26 8.543 -4.009 -2.130 1.00 0.00 H new ATOM 0 HA ALA A 26 7.032 -5.331 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.817 -2.966 0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.467 -3.262 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.300 -2.379 -0.893 1.00 0.00 H new ATOM 389 N GLU A 27 5.180 -3.451 -2.062 1.00 0.00 N ATOM 390 CA GLU A 27 3.765 -3.252 -2.533 1.00 0.00 C ATOM 391 C GLU A 27 3.057 -4.585 -2.828 1.00 0.00 C ATOM 392 O GLU A 27 1.876 -4.730 -2.567 1.00 0.00 O ATOM 393 CB GLU A 27 3.890 -2.415 -3.810 1.00 0.00 C ATOM 394 CG GLU A 27 2.498 -2.064 -4.342 1.00 0.00 C ATOM 395 CD GLU A 27 2.556 -1.889 -5.862 1.00 0.00 C ATOM 396 OE1 GLU A 27 3.355 -2.567 -6.488 1.00 0.00 O ATOM 397 OE2 GLU A 27 1.799 -1.082 -6.374 1.00 0.00 O ATOM 0 H GLU A 27 5.853 -2.793 -2.455 1.00 0.00 H new ATOM 0 HA GLU A 27 3.161 -2.765 -1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.451 -1.503 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.448 -2.969 -4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.790 -2.851 -4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.140 -1.147 -3.874 1.00 0.00 H new ATOM 404 N LYS A 28 3.767 -5.562 -3.340 1.00 0.00 N ATOM 405 CA LYS A 28 3.121 -6.885 -3.612 1.00 0.00 C ATOM 406 C LYS A 28 2.655 -7.478 -2.283 1.00 0.00 C ATOM 407 O LYS A 28 1.547 -7.963 -2.158 1.00 0.00 O ATOM 408 CB LYS A 28 4.210 -7.757 -4.242 1.00 0.00 C ATOM 409 CG LYS A 28 4.708 -7.111 -5.538 1.00 0.00 C ATOM 410 CD LYS A 28 6.145 -7.561 -5.811 1.00 0.00 C ATOM 411 CE LYS A 28 6.134 -8.763 -6.758 1.00 0.00 C ATOM 412 NZ LYS A 28 7.566 -9.009 -7.084 1.00 0.00 N ATOM 0 H LYS A 28 4.757 -5.502 -3.579 1.00 0.00 H new ATOM 0 HA LYS A 28 2.257 -6.809 -4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.039 -7.880 -3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.817 -8.752 -4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.063 -7.394 -6.370 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.665 -6.025 -5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.716 -6.743 -6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.638 -7.826 -4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.682 -9.634 -6.285 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.555 -8.552 -7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.640 -9.820 -7.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.968 -8.165 -7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.091 -9.214 -6.210 1.00 0.00 H new ATOM 426 N VAL A 29 3.493 -7.402 -1.281 1.00 0.00 N ATOM 427 CA VAL A 29 3.106 -7.916 0.067 1.00 0.00 C ATOM 428 C VAL A 29 2.013 -7.009 0.636 1.00 0.00 C ATOM 429 O VAL A 29 1.104 -7.464 1.304 1.00 0.00 O ATOM 430 CB VAL A 29 4.399 -7.842 0.907 1.00 0.00 C ATOM 431 CG1 VAL A 29 4.088 -7.918 2.411 1.00 0.00 C ATOM 432 CG2 VAL A 29 5.312 -9.010 0.525 1.00 0.00 C ATOM 0 H VAL A 29 4.431 -7.005 -1.339 1.00 0.00 H new ATOM 0 HA VAL A 29 2.712 -8.932 0.053 1.00 0.00 H new ATOM 0 HB VAL A 29 4.890 -6.890 0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.017 -7.864 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.443 -7.086 2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.583 -8.859 2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.228 -8.964 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.800 -9.952 0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.559 -8.947 -0.535 1.00 0.00 H new ATOM 442 N LEU A 30 2.100 -5.727 0.385 1.00 0.00 N ATOM 443 CA LEU A 30 1.066 -4.799 0.919 1.00 0.00 C ATOM 444 C LEU A 30 -0.269 -5.131 0.258 1.00 0.00 C ATOM 445 O LEU A 30 -1.315 -5.031 0.864 1.00 0.00 O ATOM 446 CB LEU A 30 1.550 -3.386 0.549 1.00 0.00 C ATOM 447 CG LEU A 30 2.688 -2.879 1.483 1.00 0.00 C ATOM 448 CD1 LEU A 30 2.105 -2.223 2.730 1.00 0.00 C ATOM 449 CD2 LEU A 30 3.634 -3.998 1.932 1.00 0.00 C ATOM 0 H LEU A 30 2.839 -5.288 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 30 0.926 -4.880 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.904 -3.386 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.709 -2.694 0.598 1.00 0.00 H new ATOM 0 HG LEU A 30 3.258 -2.160 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.915 -1.875 3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.483 -1.376 2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.499 -2.948 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.406 -3.584 2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.070 -4.755 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.100 -4.453 1.058 1.00 0.00 H new ATOM 461 N LYS A 31 -0.229 -5.579 -0.975 1.00 0.00 N ATOM 462 CA LYS A 31 -1.489 -5.979 -1.673 1.00 0.00 C ATOM 463 C LYS A 31 -2.097 -7.150 -0.912 1.00 0.00 C ATOM 464 O LYS A 31 -3.283 -7.198 -0.649 1.00 0.00 O ATOM 465 CB LYS A 31 -1.050 -6.448 -3.061 1.00 0.00 C ATOM 466 CG LYS A 31 -2.204 -6.275 -4.056 1.00 0.00 C ATOM 467 CD LYS A 31 -3.250 -7.381 -3.847 1.00 0.00 C ATOM 468 CE LYS A 31 -2.595 -8.759 -4.015 1.00 0.00 C ATOM 469 NZ LYS A 31 -3.428 -9.471 -5.025 1.00 0.00 N ATOM 0 H LYS A 31 0.623 -5.684 -1.527 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.219 -5.172 -1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.184 -5.875 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.745 -7.494 -3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.666 -5.297 -3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.823 -6.312 -5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.688 -7.296 -2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.063 -7.265 -4.564 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.563 -8.665 -4.352 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.573 -9.302 -3.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.038 -10.421 -5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.404 -9.553 -4.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.424 -8.936 -5.917 1.00 0.00 H new ATOM 483 N GLN A 32 -1.265 -8.089 -0.540 1.00 0.00 N ATOM 484 CA GLN A 32 -1.750 -9.271 0.233 1.00 0.00 C ATOM 485 C GLN A 32 -2.463 -8.789 1.502 1.00 0.00 C ATOM 486 O GLN A 32 -3.497 -9.305 1.881 1.00 0.00 O ATOM 487 CB GLN A 32 -0.497 -10.063 0.586 1.00 0.00 C ATOM 488 CG GLN A 32 -0.271 -11.159 -0.458 1.00 0.00 C ATOM 489 CD GLN A 32 0.565 -12.283 0.154 1.00 0.00 C ATOM 490 OE1 GLN A 32 0.048 -13.334 0.478 1.00 0.00 O ATOM 491 NE2 GLN A 32 1.846 -12.106 0.329 1.00 0.00 N ATOM 0 H GLN A 32 -0.265 -8.087 -0.740 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.458 -9.880 -0.329 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.367 -9.399 0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.602 -10.506 1.576 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.228 -11.550 -0.803 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.238 -10.746 -1.329 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.281 -11.224 0.057 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.412 -12.849 0.737 1.00 0.00 H new ATOM 500 N TYR A 33 -1.927 -7.772 2.135 1.00 0.00 N ATOM 501 CA TYR A 33 -2.584 -7.213 3.356 1.00 0.00 C ATOM 502 C TYR A 33 -3.947 -6.639 2.952 1.00 0.00 C ATOM 503 O TYR A 33 -4.938 -6.813 3.635 1.00 0.00 O ATOM 504 CB TYR A 33 -1.640 -6.106 3.845 1.00 0.00 C ATOM 505 CG TYR A 33 -2.265 -5.391 5.011 1.00 0.00 C ATOM 506 CD1 TYR A 33 -2.195 -5.958 6.282 1.00 0.00 C ATOM 507 CD2 TYR A 33 -2.924 -4.174 4.816 1.00 0.00 C ATOM 508 CE1 TYR A 33 -2.782 -5.311 7.368 1.00 0.00 C ATOM 509 CE2 TYR A 33 -3.513 -3.521 5.903 1.00 0.00 C ATOM 510 CZ TYR A 33 -3.443 -4.089 7.182 1.00 0.00 C ATOM 511 OH TYR A 33 -4.025 -3.448 8.256 1.00 0.00 O ATOM 0 H TYR A 33 -1.063 -7.306 1.858 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.754 -7.954 4.138 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.682 -6.534 4.139 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.440 -5.401 3.038 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.686 -6.899 6.426 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.978 -3.739 3.829 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.728 -5.751 8.353 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.022 -2.579 5.757 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.440 -2.613 7.953 1.00 0.00 H new ATOM 521 N ILE A 34 -3.990 -5.971 1.830 1.00 0.00 N ATOM 522 CA ILE A 34 -5.276 -5.389 1.339 1.00 0.00 C ATOM 523 C ILE A 34 -6.256 -6.523 1.008 1.00 0.00 C ATOM 524 O ILE A 34 -7.459 -6.351 1.059 1.00 0.00 O ATOM 525 CB ILE A 34 -4.896 -4.610 0.072 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.890 -3.493 0.438 1.00 0.00 C ATOM 527 CG2 ILE A 34 -6.155 -4.029 -0.593 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.595 -2.287 1.069 1.00 0.00 C ATOM 0 H ILE A 34 -3.184 -5.802 1.228 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.761 -4.748 2.075 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.423 -5.283 -0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.146 -3.885 1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.355 -3.176 -0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.872 -3.479 -1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.831 -4.840 -0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.656 -3.355 0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.858 -1.522 1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.321 -1.880 0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.108 -2.600 1.978 1.00 0.00 H new ATOM 540 N ASN A 35 -5.740 -7.681 0.667 1.00 0.00 N ATOM 541 CA ASN A 35 -6.627 -8.837 0.328 1.00 0.00 C ATOM 542 C ASN A 35 -7.537 -9.176 1.513 1.00 0.00 C ATOM 543 O ASN A 35 -8.631 -9.680 1.341 1.00 0.00 O ATOM 544 CB ASN A 35 -5.675 -10.000 0.035 1.00 0.00 C ATOM 545 CG ASN A 35 -6.448 -11.136 -0.637 1.00 0.00 C ATOM 546 OD1 ASN A 35 -7.350 -11.703 -0.053 1.00 0.00 O ATOM 547 ND2 ASN A 35 -6.130 -11.495 -1.851 1.00 0.00 N ATOM 0 H ASN A 35 -4.740 -7.874 0.609 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.277 -8.619 -0.519 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.864 -9.666 -0.612 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.220 -10.353 0.960 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.639 -12.251 -2.309 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.373 -11.019 -2.342 1.00 0.00 H new ATOM 554 N ASP A 36 -7.089 -8.901 2.712 1.00 0.00 N ATOM 555 CA ASP A 36 -7.923 -9.203 3.916 1.00 0.00 C ATOM 556 C ASP A 36 -9.055 -8.180 4.043 1.00 0.00 C ATOM 557 O ASP A 36 -10.197 -8.532 4.272 1.00 0.00 O ATOM 558 CB ASP A 36 -6.966 -9.095 5.105 1.00 0.00 C ATOM 559 CG ASP A 36 -7.698 -9.494 6.387 1.00 0.00 C ATOM 560 OD1 ASP A 36 -8.626 -8.794 6.758 1.00 0.00 O ATOM 561 OD2 ASP A 36 -7.318 -10.492 6.977 1.00 0.00 O ATOM 0 H ASP A 36 -6.181 -8.480 2.910 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.387 -10.187 3.859 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.102 -9.742 4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.589 -8.076 5.191 1.00 0.00 H new ATOM 566 N ASN A 37 -8.743 -6.917 3.893 1.00 0.00 N ATOM 567 CA ASN A 37 -9.798 -5.863 4.001 1.00 0.00 C ATOM 568 C ASN A 37 -10.701 -5.895 2.765 1.00 0.00 C ATOM 569 O ASN A 37 -11.882 -5.611 2.842 1.00 0.00 O ATOM 570 CB ASN A 37 -9.037 -4.538 4.075 1.00 0.00 C ATOM 571 CG ASN A 37 -8.303 -4.445 5.415 1.00 0.00 C ATOM 572 OD1 ASN A 37 -8.802 -4.897 6.426 1.00 0.00 O ATOM 573 ND2 ASN A 37 -7.131 -3.873 5.465 1.00 0.00 N ATOM 0 H ASN A 37 -7.803 -6.570 3.700 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.439 -6.010 4.870 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.325 -4.469 3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.729 -3.703 3.968 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.634 -3.805 6.353 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.712 -3.494 4.616 1.00 0.00 H new ATOM 580 N GLY A 38 -10.152 -6.243 1.629 1.00 0.00 N ATOM 581 CA GLY A 38 -10.969 -6.300 0.382 1.00 0.00 C ATOM 582 C GLY A 38 -11.010 -4.917 -0.271 1.00 0.00 C ATOM 583 O GLY A 38 -12.004 -4.531 -0.858 1.00 0.00 O ATOM 0 H GLY A 38 -9.169 -6.491 1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.544 -7.027 -0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.981 -6.634 0.613 1.00 0.00 H new ATOM 587 N ILE A 39 -9.938 -4.172 -0.174 1.00 0.00 N ATOM 588 CA ILE A 39 -9.909 -2.811 -0.790 1.00 0.00 C ATOM 589 C ILE A 39 -8.912 -2.781 -1.954 1.00 0.00 C ATOM 590 O ILE A 39 -7.821 -2.260 -1.834 1.00 0.00 O ATOM 591 CB ILE A 39 -9.469 -1.872 0.344 1.00 0.00 C ATOM 592 CG1 ILE A 39 -10.496 -1.918 1.489 1.00 0.00 C ATOM 593 CG2 ILE A 39 -9.360 -0.433 -0.174 1.00 0.00 C ATOM 594 CD1 ILE A 39 -11.893 -1.530 0.978 1.00 0.00 C ATOM 0 H ILE A 39 -9.081 -4.448 0.306 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.874 -2.516 -1.201 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.496 -2.200 0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.525 -2.919 1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.192 -1.238 2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.048 0.223 0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.625 -0.390 -0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.330 -0.108 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.605 -1.568 1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.864 -0.519 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.202 -2.227 0.199 1.00 0.00 H new ATOM 606 N ASP A 40 -9.289 -3.333 -3.078 1.00 0.00 N ATOM 607 CA ASP A 40 -8.376 -3.338 -4.260 1.00 0.00 C ATOM 608 C ASP A 40 -9.016 -2.566 -5.415 1.00 0.00 C ATOM 609 O ASP A 40 -9.895 -3.065 -6.093 1.00 0.00 O ATOM 610 CB ASP A 40 -8.211 -4.814 -4.627 1.00 0.00 C ATOM 611 CG ASP A 40 -7.115 -5.436 -3.759 1.00 0.00 C ATOM 612 OD1 ASP A 40 -5.953 -5.201 -4.048 1.00 0.00 O ATOM 613 OD2 ASP A 40 -7.456 -6.136 -2.820 1.00 0.00 O ATOM 0 H ASP A 40 -10.192 -3.782 -3.229 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.418 -2.863 -4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.152 -5.344 -4.479 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.953 -4.911 -5.682 1.00 0.00 H new ATOM 618 N GLY A 41 -8.587 -1.349 -5.638 1.00 0.00 N ATOM 619 CA GLY A 41 -9.174 -0.537 -6.743 1.00 0.00 C ATOM 620 C GLY A 41 -8.060 0.131 -7.551 1.00 0.00 C ATOM 621 O GLY A 41 -7.638 -0.376 -8.573 1.00 0.00 O ATOM 0 H GLY A 41 -7.855 -0.884 -5.101 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.775 -1.173 -7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.842 0.221 -6.333 1.00 0.00 H new ATOM 625 N GLU A 42 -7.590 1.270 -7.106 1.00 0.00 N ATOM 626 CA GLU A 42 -6.510 1.981 -7.855 1.00 0.00 C ATOM 627 C GLU A 42 -5.413 2.461 -6.903 1.00 0.00 C ATOM 628 O GLU A 42 -5.657 3.248 -6.007 1.00 0.00 O ATOM 629 CB GLU A 42 -7.208 3.180 -8.507 1.00 0.00 C ATOM 630 CG GLU A 42 -7.431 2.903 -9.996 1.00 0.00 C ATOM 631 CD GLU A 42 -8.731 3.568 -10.450 1.00 0.00 C ATOM 632 OE1 GLU A 42 -9.776 2.963 -10.273 1.00 0.00 O ATOM 633 OE2 GLU A 42 -8.661 4.671 -10.967 1.00 0.00 O ATOM 0 H GLU A 42 -7.908 1.737 -6.257 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.028 1.332 -8.586 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.163 3.368 -8.016 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.602 4.078 -8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.592 3.286 -10.577 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.478 1.829 -10.174 1.00 0.00 H new ATOM 640 N TRP A 43 -4.202 2.002 -7.103 1.00 0.00 N ATOM 641 CA TRP A 43 -3.078 2.439 -6.224 1.00 0.00 C ATOM 642 C TRP A 43 -2.282 3.539 -6.928 1.00 0.00 C ATOM 643 O TRP A 43 -2.416 3.745 -8.120 1.00 0.00 O ATOM 644 CB TRP A 43 -2.176 1.215 -6.042 1.00 0.00 C ATOM 645 CG TRP A 43 -2.818 0.164 -5.191 1.00 0.00 C ATOM 646 CD1 TRP A 43 -4.142 -0.125 -5.117 1.00 0.00 C ATOM 647 CD2 TRP A 43 -2.154 -0.757 -4.291 1.00 0.00 C ATOM 648 NE1 TRP A 43 -4.316 -1.184 -4.248 1.00 0.00 N ATOM 649 CE2 TRP A 43 -3.121 -1.600 -3.704 1.00 0.00 C ATOM 650 CE3 TRP A 43 -0.811 -0.937 -3.936 1.00 0.00 C ATOM 651 CZ2 TRP A 43 -2.768 -2.591 -2.793 1.00 0.00 C ATOM 652 CZ3 TRP A 43 -0.448 -1.931 -3.015 1.00 0.00 C ATOM 653 CH2 TRP A 43 -1.424 -2.756 -2.444 1.00 0.00 C ATOM 0 H TRP A 43 -3.945 1.343 -7.838 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.443 2.821 -5.271 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.936 0.794 -7.018 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.234 1.523 -5.588 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.929 0.388 -5.649 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.220 -1.607 -4.035 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.051 -0.307 -4.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.525 -3.227 -2.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.590 -2.060 -2.745 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.139 -3.519 -1.735 1.00 0.00 H new ATOM 664 N THR A 44 -1.435 4.223 -6.207 1.00 0.00 N ATOM 665 CA THR A 44 -0.599 5.289 -6.832 1.00 0.00 C ATOM 666 C THR A 44 0.702 5.436 -6.048 1.00 0.00 C ATOM 667 O THR A 44 0.697 5.541 -4.835 1.00 0.00 O ATOM 668 CB THR A 44 -1.421 6.576 -6.760 1.00 0.00 C ATOM 669 OG1 THR A 44 -1.751 6.855 -5.408 1.00 0.00 O ATOM 670 CG2 THR A 44 -2.702 6.421 -7.582 1.00 0.00 C ATOM 0 H THR A 44 -1.285 4.089 -5.207 1.00 0.00 H new ATOM 0 HA THR A 44 -0.340 5.053 -7.864 1.00 0.00 H new ATOM 0 HB THR A 44 -0.834 7.400 -7.166 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.983 7.803 -5.317 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.283 7.341 -7.527 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.445 6.216 -8.621 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.292 5.595 -7.184 1.00 0.00 H new ATOM 678 N TYR A 45 1.815 5.437 -6.731 1.00 0.00 N ATOM 679 CA TYR A 45 3.125 5.569 -6.030 1.00 0.00 C ATOM 680 C TYR A 45 3.571 7.039 -6.028 1.00 0.00 C ATOM 681 O TYR A 45 3.035 7.862 -6.745 1.00 0.00 O ATOM 682 CB TYR A 45 4.100 4.705 -6.846 1.00 0.00 C ATOM 683 CG TYR A 45 5.506 4.846 -6.299 1.00 0.00 C ATOM 684 CD1 TYR A 45 5.817 4.362 -5.023 1.00 0.00 C ATOM 685 CD2 TYR A 45 6.495 5.470 -7.070 1.00 0.00 C ATOM 686 CE1 TYR A 45 7.116 4.499 -4.518 1.00 0.00 C ATOM 687 CE2 TYR A 45 7.794 5.607 -6.566 1.00 0.00 C ATOM 688 CZ TYR A 45 8.104 5.122 -5.290 1.00 0.00 C ATOM 689 OH TYR A 45 9.385 5.257 -4.794 1.00 0.00 O ATOM 0 H TYR A 45 1.874 5.352 -7.746 1.00 0.00 H new ATOM 0 HA TYR A 45 3.077 5.250 -4.989 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.790 3.661 -6.809 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.077 5.007 -7.893 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.054 3.882 -4.427 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.255 5.846 -8.054 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.355 4.124 -3.534 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.557 6.087 -7.162 1.00 0.00 H new ATOM 0 HH TYR A 45 9.946 5.710 -5.457 1.00 0.00 H new ATOM 699 N ASP A 46 4.562 7.362 -5.236 1.00 0.00 N ATOM 700 CA ASP A 46 5.070 8.766 -5.186 1.00 0.00 C ATOM 701 C ASP A 46 6.554 8.763 -4.799 1.00 0.00 C ATOM 702 O ASP A 46 6.946 8.147 -3.825 1.00 0.00 O ATOM 703 CB ASP A 46 4.218 9.479 -4.126 1.00 0.00 C ATOM 704 CG ASP A 46 4.409 8.819 -2.756 1.00 0.00 C ATOM 705 OD1 ASP A 46 4.385 7.604 -2.698 1.00 0.00 O ATOM 706 OD2 ASP A 46 4.574 9.545 -1.790 1.00 0.00 O ATOM 0 H ASP A 46 5.044 6.709 -4.618 1.00 0.00 H new ATOM 0 HA ASP A 46 4.993 9.271 -6.149 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.498 10.531 -4.072 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.166 9.443 -4.411 1.00 0.00 H new ATOM 711 N ASP A 47 7.378 9.436 -5.561 1.00 0.00 N ATOM 712 CA ASP A 47 8.842 9.465 -5.250 1.00 0.00 C ATOM 713 C ASP A 47 9.159 10.460 -4.120 1.00 0.00 C ATOM 714 O ASP A 47 10.306 10.625 -3.748 1.00 0.00 O ATOM 715 CB ASP A 47 9.515 9.904 -6.556 1.00 0.00 C ATOM 716 CG ASP A 47 10.155 8.694 -7.242 1.00 0.00 C ATOM 717 OD1 ASP A 47 11.071 8.128 -6.669 1.00 0.00 O ATOM 718 OD2 ASP A 47 9.716 8.353 -8.328 1.00 0.00 O ATOM 0 H ASP A 47 7.101 9.968 -6.386 1.00 0.00 H new ATOM 0 HA ASP A 47 9.196 8.494 -4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.780 10.363 -7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.273 10.659 -6.349 1.00 0.00 H new ATOM 723 N ALA A 48 8.165 11.117 -3.565 1.00 0.00 N ATOM 724 CA ALA A 48 8.435 12.088 -2.457 1.00 0.00 C ATOM 725 C ALA A 48 9.067 11.357 -1.268 1.00 0.00 C ATOM 726 O ALA A 48 10.082 11.771 -0.740 1.00 0.00 O ATOM 727 CB ALA A 48 7.067 12.656 -2.071 1.00 0.00 C ATOM 0 H ALA A 48 7.185 11.023 -3.830 1.00 0.00 H new ATOM 0 HA ALA A 48 9.126 12.876 -2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.187 13.377 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.622 13.150 -2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.417 11.846 -1.741 1.00 0.00 H new ATOM 733 N THR A 49 8.473 10.268 -0.855 1.00 0.00 N ATOM 734 CA THR A 49 9.027 9.487 0.292 1.00 0.00 C ATOM 735 C THR A 49 8.687 8.002 0.118 1.00 0.00 C ATOM 736 O THR A 49 8.523 7.273 1.077 1.00 0.00 O ATOM 737 CB THR A 49 8.349 10.063 1.541 1.00 0.00 C ATOM 738 OG1 THR A 49 8.794 9.350 2.687 1.00 0.00 O ATOM 739 CG2 THR A 49 6.827 9.939 1.423 1.00 0.00 C ATOM 0 H THR A 49 7.622 9.883 -1.265 1.00 0.00 H new ATOM 0 HA THR A 49 10.112 9.561 0.362 1.00 0.00 H new ATOM 0 HB THR A 49 8.611 11.117 1.635 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.853 8.395 2.476 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.358 10.352 2.316 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.484 10.488 0.546 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.554 8.888 1.322 1.00 0.00 H new ATOM 747 N LYS A 50 8.586 7.556 -1.109 1.00 0.00 N ATOM 748 CA LYS A 50 8.261 6.120 -1.390 1.00 0.00 C ATOM 749 C LYS A 50 6.965 5.698 -0.683 1.00 0.00 C ATOM 750 O LYS A 50 6.959 4.798 0.136 1.00 0.00 O ATOM 751 CB LYS A 50 9.453 5.305 -0.865 1.00 0.00 C ATOM 752 CG LYS A 50 10.756 5.798 -1.514 1.00 0.00 C ATOM 753 CD LYS A 50 11.817 6.035 -0.434 1.00 0.00 C ATOM 754 CE LYS A 50 12.609 4.746 -0.203 1.00 0.00 C ATOM 755 NZ LYS A 50 13.502 5.047 0.950 1.00 0.00 N ATOM 0 H LYS A 50 8.716 8.132 -1.940 1.00 0.00 H new ATOM 0 HA LYS A 50 8.101 5.956 -2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.519 5.399 0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.306 4.248 -1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.115 5.063 -2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.572 6.720 -2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.489 6.837 -0.739 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.342 6.353 0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.946 3.909 0.018 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.184 4.472 -1.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.337 4.428 0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.805 6.041 0.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.988 4.883 1.839 1.00 0.00 H new ATOM 769 N THR A 51 5.867 6.330 -1.012 1.00 0.00 N ATOM 770 CA THR A 51 4.562 5.957 -0.382 1.00 0.00 C ATOM 771 C THR A 51 3.667 5.291 -1.432 1.00 0.00 C ATOM 772 O THR A 51 4.079 5.084 -2.560 1.00 0.00 O ATOM 773 CB THR A 51 3.938 7.273 0.104 1.00 0.00 C ATOM 774 OG1 THR A 51 4.961 8.142 0.567 1.00 0.00 O ATOM 775 CG2 THR A 51 2.952 6.999 1.247 1.00 0.00 C ATOM 0 H THR A 51 5.817 7.090 -1.691 1.00 0.00 H new ATOM 0 HA THR A 51 4.686 5.255 0.443 1.00 0.00 H new ATOM 0 HB THR A 51 3.406 7.739 -0.725 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.114 8.849 -0.094 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.515 7.939 1.584 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.161 6.337 0.894 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.478 6.526 2.076 1.00 0.00 H new ATOM 783 N TRP A 52 2.455 4.950 -1.075 1.00 0.00 N ATOM 784 CA TRP A 52 1.545 4.288 -2.053 1.00 0.00 C ATOM 785 C TRP A 52 0.085 4.664 -1.785 1.00 0.00 C ATOM 786 O TRP A 52 -0.212 5.514 -0.966 1.00 0.00 O ATOM 787 CB TRP A 52 1.728 2.798 -1.805 1.00 0.00 C ATOM 788 CG TRP A 52 2.975 2.303 -2.456 1.00 0.00 C ATOM 789 CD1 TRP A 52 4.161 2.105 -1.840 1.00 0.00 C ATOM 790 CD2 TRP A 52 3.162 1.921 -3.838 1.00 0.00 C ATOM 791 NE1 TRP A 52 5.071 1.632 -2.770 1.00 0.00 N ATOM 792 CE2 TRP A 52 4.498 1.502 -4.021 1.00 0.00 C ATOM 793 CE3 TRP A 52 2.301 1.906 -4.938 1.00 0.00 C ATOM 794 CZ2 TRP A 52 4.964 1.078 -5.267 1.00 0.00 C ATOM 795 CZ3 TRP A 52 2.760 1.481 -6.195 1.00 0.00 C ATOM 796 CH2 TRP A 52 4.091 1.068 -6.360 1.00 0.00 C ATOM 0 H TRP A 52 2.058 5.102 -0.148 1.00 0.00 H new ATOM 0 HA TRP A 52 1.774 4.586 -3.076 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.771 2.606 -0.733 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.868 2.252 -2.193 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.365 2.286 -0.795 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.043 1.407 -2.558 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.275 2.223 -4.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.989 0.761 -5.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.086 1.472 -7.039 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.441 0.743 -7.329 1.00 0.00 H new ATOM 807 N THR A 53 -0.828 4.015 -2.467 1.00 0.00 N ATOM 808 CA THR A 53 -2.278 4.301 -2.261 1.00 0.00 C ATOM 809 C THR A 53 -3.121 3.095 -2.692 1.00 0.00 C ATOM 810 O THR A 53 -2.617 2.146 -3.262 1.00 0.00 O ATOM 811 CB THR A 53 -2.580 5.512 -3.146 1.00 0.00 C ATOM 812 OG1 THR A 53 -1.574 6.497 -2.959 1.00 0.00 O ATOM 813 CG2 THR A 53 -3.943 6.096 -2.769 1.00 0.00 C ATOM 0 H THR A 53 -0.627 3.295 -3.161 1.00 0.00 H new ATOM 0 HA THR A 53 -2.513 4.497 -1.215 1.00 0.00 H new ATOM 0 HB THR A 53 -2.596 5.202 -4.191 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.298 6.852 -3.830 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.156 6.959 -3.400 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.715 5.340 -2.914 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.930 6.406 -1.724 1.00 0.00 H new ATOM 821 N VAL A 54 -4.400 3.123 -2.411 1.00 0.00 N ATOM 822 CA VAL A 54 -5.296 1.977 -2.786 1.00 0.00 C ATOM 823 C VAL A 54 -6.757 2.355 -2.498 1.00 0.00 C ATOM 824 O VAL A 54 -7.307 2.010 -1.470 1.00 0.00 O ATOM 825 CB VAL A 54 -4.831 0.782 -1.915 1.00 0.00 C ATOM 826 CG1 VAL A 54 -4.703 1.211 -0.457 1.00 0.00 C ATOM 827 CG2 VAL A 54 -5.831 -0.379 -1.994 1.00 0.00 C ATOM 0 H VAL A 54 -4.868 3.894 -1.935 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.238 1.725 -3.845 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.864 0.453 -2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.376 0.363 0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.972 2.016 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.669 1.561 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.480 -1.204 -1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.805 -0.045 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.919 -0.714 -3.028 1.00 0.00 H new ATOM 837 N THR A 55 -7.381 3.062 -3.406 1.00 0.00 N ATOM 838 CA THR A 55 -8.803 3.472 -3.203 1.00 0.00 C ATOM 839 C THR A 55 -9.748 2.403 -3.759 1.00 0.00 C ATOM 840 O THR A 55 -9.432 1.724 -4.716 1.00 0.00 O ATOM 841 CB THR A 55 -8.952 4.775 -3.990 1.00 0.00 C ATOM 842 OG1 THR A 55 -7.810 5.592 -3.770 1.00 0.00 O ATOM 843 CG2 THR A 55 -10.207 5.514 -3.525 1.00 0.00 C ATOM 0 H THR A 55 -6.964 3.374 -4.283 1.00 0.00 H new ATOM 0 HA THR A 55 -9.050 3.597 -2.149 1.00 0.00 H new ATOM 0 HB THR A 55 -9.039 4.550 -5.053 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.903 6.427 -4.275 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.312 6.442 -4.087 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.082 4.887 -3.694 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.123 5.741 -2.462 1.00 0.00 H new ATOM 851 N GLU A 56 -10.906 2.253 -3.166 1.00 0.00 N ATOM 852 CA GLU A 56 -11.880 1.231 -3.657 1.00 0.00 C ATOM 853 C GLU A 56 -13.116 1.918 -4.243 1.00 0.00 C ATOM 854 O GLU A 56 -13.218 1.976 -5.457 1.00 0.00 O ATOM 855 CB GLU A 56 -12.256 0.414 -2.420 1.00 0.00 C ATOM 856 CG GLU A 56 -13.110 -0.788 -2.833 1.00 0.00 C ATOM 857 CD GLU A 56 -12.283 -1.738 -3.701 1.00 0.00 C ATOM 858 OE1 GLU A 56 -12.144 -1.463 -4.881 1.00 0.00 O ATOM 859 OE2 GLU A 56 -11.806 -2.728 -3.171 1.00 0.00 O ATOM 860 OXT GLU A 56 -13.940 2.375 -3.467 1.00 0.00 O ATOM 0 H GLU A 56 -11.219 2.796 -2.361 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.460 0.606 -4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.355 0.074 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.806 1.037 -1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.470 -1.311 -1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.988 -0.450 -3.383 1.00 0.00 H new TER 867 GLU A 56