USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot 180:sc= 0.051 USER MOD Set 1.2: A 52 THR OG1 : rot 126:sc= -0.458 USER MOD Set 2.1: A 17 THR OG1 : rot 172:sc= -0.515 USER MOD Set 2.2: A 34 TYR OH : rot 30:sc= -0.656 USER MOD Set 3.1: A 9 ASN : amide:sc= -0.0239 K(o=-1.4,f=-3.1!) USER MOD Set 3.2: A 56 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 2 THR OG1 : rot 129:sc= 0.764 USER MOD Single : A 3 THR OG1 : rot -81:sc= 0.111 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -116:sc=-0.00738 (180deg=-0.122) USER MOD Single : A 12 THR OG1 : rot 170:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -130:sc= -0.112 USER MOD Single : A 26 THR OG1 : rot -160:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.125 K(o=-0.13,f=-1.3!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 38 ASN : amide:sc= 0.00192 X(o=0.0019,f=-0.41) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 46 TYR OH : rot -15:sc= -2.84 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -13.956 1.235 1.900 1.00 0.00 N ATOM 21 CA THR A 2 -13.050 0.130 1.466 1.00 0.00 C ATOM 22 C THR A 2 -11.711 0.217 2.202 1.00 0.00 C ATOM 23 O THR A 2 -10.970 1.170 2.049 1.00 0.00 O ATOM 24 CB THR A 2 -12.850 0.347 -0.034 1.00 0.00 C ATOM 25 OG1 THR A 2 -14.117 0.433 -0.671 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.060 -0.824 -0.618 1.00 0.00 C ATOM 0 HA THR A 2 -13.468 -0.853 1.685 1.00 0.00 H new ATOM 0 HB THR A 2 -12.298 1.272 -0.199 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.151 1.241 -1.225 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.917 -0.669 -1.688 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.089 -0.888 -0.128 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.610 -1.751 -0.456 1.00 0.00 H new ATOM 34 N THR A 3 -11.401 -0.771 3.001 1.00 0.00 N ATOM 35 CA THR A 3 -10.123 -0.761 3.754 1.00 0.00 C ATOM 36 C THR A 3 -9.065 -1.599 3.029 1.00 0.00 C ATOM 37 O THR A 3 -9.020 -2.807 3.166 1.00 0.00 O ATOM 38 CB THR A 3 -10.459 -1.379 5.111 1.00 0.00 C ATOM 39 OG1 THR A 3 -11.635 -0.772 5.628 1.00 0.00 O ATOM 40 CG2 THR A 3 -9.297 -1.153 6.079 1.00 0.00 C ATOM 0 H THR A 3 -11.988 -1.590 3.162 1.00 0.00 H new ATOM 0 HA THR A 3 -9.713 0.244 3.852 1.00 0.00 H new ATOM 0 HB THR A 3 -10.625 -2.450 4.992 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.404 0.081 6.051 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.538 -1.594 7.046 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.396 -1.620 5.681 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.127 -0.083 6.200 1.00 0.00 H new ATOM 48 N PHE A 4 -8.211 -0.964 2.267 1.00 0.00 N ATOM 49 CA PHE A 4 -7.146 -1.718 1.536 1.00 0.00 C ATOM 50 C PHE A 4 -6.003 -2.066 2.499 1.00 0.00 C ATOM 51 O PHE A 4 -6.015 -1.672 3.650 1.00 0.00 O ATOM 52 CB PHE A 4 -6.656 -0.764 0.444 1.00 0.00 C ATOM 53 CG PHE A 4 -7.742 -0.549 -0.582 1.00 0.00 C ATOM 54 CD1 PHE A 4 -7.899 -1.453 -1.639 1.00 0.00 C ATOM 55 CD2 PHE A 4 -8.586 0.564 -0.481 1.00 0.00 C ATOM 56 CE1 PHE A 4 -8.900 -1.243 -2.596 1.00 0.00 C ATOM 57 CE2 PHE A 4 -9.586 0.772 -1.436 1.00 0.00 C ATOM 58 CZ PHE A 4 -9.743 -0.131 -2.494 1.00 0.00 C ATOM 0 H PHE A 4 -8.205 0.045 2.119 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.513 -2.655 1.117 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.368 0.190 0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.767 -1.174 -0.036 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.249 -2.312 -1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.465 1.262 0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.021 -1.939 -3.413 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.238 1.630 -1.357 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.515 0.031 -3.232 1.00 0.00 H new ATOM 68 N LYS A 5 -5.020 -2.802 2.039 1.00 0.00 N ATOM 69 CA LYS A 5 -3.878 -3.176 2.931 1.00 0.00 C ATOM 70 C LYS A 5 -2.565 -3.211 2.141 1.00 0.00 C ATOM 71 O LYS A 5 -2.417 -3.968 1.202 1.00 0.00 O ATOM 72 CB LYS A 5 -4.227 -4.571 3.450 1.00 0.00 C ATOM 73 CG LYS A 5 -3.212 -4.991 4.514 1.00 0.00 C ATOM 74 CD LYS A 5 -3.844 -6.029 5.443 1.00 0.00 C ATOM 75 CE LYS A 5 -2.769 -7.008 5.920 1.00 0.00 C ATOM 76 NZ LYS A 5 -3.520 -8.217 6.361 1.00 0.00 N ATOM 0 H LYS A 5 -4.959 -3.159 1.086 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.737 -2.458 3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.232 -4.572 3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.225 -5.287 2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.323 -5.406 4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.891 -4.122 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.306 -5.535 6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.635 -6.567 4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.070 -7.248 5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.185 -6.586 6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.851 -8.936 6.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.173 -7.959 7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.061 -8.601 5.560 1.00 0.00 H new ATOM 90 N LEU A 6 -1.609 -2.398 2.517 1.00 0.00 N ATOM 91 CA LEU A 6 -0.303 -2.382 1.790 1.00 0.00 C ATOM 92 C LEU A 6 0.749 -3.190 2.559 1.00 0.00 C ATOM 93 O LEU A 6 0.951 -2.992 3.743 1.00 0.00 O ATOM 94 CB LEU A 6 0.099 -0.901 1.725 1.00 0.00 C ATOM 95 CG LEU A 6 1.474 -0.756 1.056 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.360 -1.085 -0.434 1.00 0.00 C ATOM 97 CD2 LEU A 6 1.977 0.680 1.228 1.00 0.00 C ATOM 0 H LEU A 6 -1.677 -1.744 3.297 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.381 -2.829 0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.648 -0.338 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.129 -0.480 2.730 1.00 0.00 H new ATOM 0 HG LEU A 6 2.177 -1.445 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.337 -0.981 -0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.006 -2.109 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.655 -0.400 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.953 0.783 0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.273 1.370 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.064 0.910 2.290 1.00 0.00 H new ATOM 109 N ILE A 7 1.439 -4.077 1.884 1.00 0.00 N ATOM 110 CA ILE A 7 2.502 -4.873 2.563 1.00 0.00 C ATOM 111 C ILE A 7 3.768 -4.006 2.658 1.00 0.00 C ATOM 112 O ILE A 7 3.844 -2.960 2.038 1.00 0.00 O ATOM 113 CB ILE A 7 2.688 -6.133 1.679 1.00 0.00 C ATOM 114 CG1 ILE A 7 3.159 -7.295 2.553 1.00 0.00 C ATOM 115 CG2 ILE A 7 3.709 -5.902 0.553 1.00 0.00 C ATOM 116 CD1 ILE A 7 1.965 -7.880 3.310 1.00 0.00 C ATOM 0 H ILE A 7 1.310 -4.282 0.893 1.00 0.00 H new ATOM 0 HA ILE A 7 2.258 -5.174 3.582 1.00 0.00 H new ATOM 0 HB ILE A 7 1.727 -6.361 1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.624 -8.064 1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.916 -6.951 3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.807 -6.811 -0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.369 -5.086 -0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.676 -5.645 0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.300 -8.709 3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.520 -7.109 3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.223 -8.239 2.597 1.00 0.00 H new ATOM 128 N ILE A 8 4.750 -4.414 3.421 1.00 0.00 N ATOM 129 CA ILE A 8 5.983 -3.582 3.533 1.00 0.00 C ATOM 130 C ILE A 8 7.239 -4.425 3.286 1.00 0.00 C ATOM 131 O ILE A 8 7.972 -4.737 4.204 1.00 0.00 O ATOM 132 CB ILE A 8 5.966 -3.031 4.963 1.00 0.00 C ATOM 133 CG1 ILE A 8 4.679 -2.231 5.196 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.169 -2.111 5.171 1.00 0.00 C ATOM 135 CD1 ILE A 8 4.574 -1.850 6.674 1.00 0.00 C ATOM 0 H ILE A 8 4.751 -5.277 3.965 1.00 0.00 H new ATOM 0 HA ILE A 8 6.002 -2.784 2.790 1.00 0.00 H new ATOM 0 HB ILE A 8 6.011 -3.863 5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.679 -1.333 4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.812 -2.822 4.900 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.156 -1.720 6.188 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.089 -2.673 5.010 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.121 -1.283 4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.659 -1.281 6.839 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.554 -2.754 7.282 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.434 -1.243 6.955 1.00 0.00 H new ATOM 147 N ASN A 9 7.507 -4.774 2.051 1.00 0.00 N ATOM 148 CA ASN A 9 8.736 -5.570 1.755 1.00 0.00 C ATOM 149 C ASN A 9 9.840 -4.622 1.288 1.00 0.00 C ATOM 150 O ASN A 9 10.494 -4.849 0.289 1.00 0.00 O ATOM 151 CB ASN A 9 8.343 -6.545 0.646 1.00 0.00 C ATOM 152 CG ASN A 9 7.437 -7.635 1.223 1.00 0.00 C ATOM 153 OD1 ASN A 9 7.489 -7.924 2.402 1.00 0.00 O ATOM 154 ND2 ASN A 9 6.603 -8.258 0.435 1.00 0.00 N ATOM 0 H ASN A 9 6.931 -4.543 1.241 1.00 0.00 H new ATOM 0 HA ASN A 9 9.110 -6.108 2.626 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.827 -6.014 -0.154 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.235 -6.993 0.208 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.996 -8.987 0.809 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.559 -8.016 -0.555 1.00 0.00 H new ATOM 161 N GLY A 10 10.033 -3.552 2.013 1.00 0.00 N ATOM 162 CA GLY A 10 11.076 -2.555 1.639 1.00 0.00 C ATOM 163 C GLY A 10 12.287 -2.705 2.554 1.00 0.00 C ATOM 164 O GLY A 10 12.219 -3.341 3.590 1.00 0.00 O ATOM 0 H GLY A 10 9.507 -3.325 2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.374 -2.699 0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.672 -1.546 1.718 1.00 0.00 H new ATOM 168 N LYS A 11 13.390 -2.107 2.186 1.00 0.00 N ATOM 169 CA LYS A 11 14.610 -2.191 3.038 1.00 0.00 C ATOM 170 C LYS A 11 14.586 -1.098 4.120 1.00 0.00 C ATOM 171 O LYS A 11 15.548 -0.919 4.842 1.00 0.00 O ATOM 172 CB LYS A 11 15.781 -1.969 2.079 1.00 0.00 C ATOM 173 CG LYS A 11 17.098 -2.234 2.812 1.00 0.00 C ATOM 174 CD LYS A 11 18.216 -2.456 1.792 1.00 0.00 C ATOM 175 CE LYS A 11 19.539 -1.944 2.365 1.00 0.00 C ATOM 176 NZ LYS A 11 19.503 -0.470 2.157 1.00 0.00 N ATOM 0 H LYS A 11 13.497 -1.563 1.330 1.00 0.00 H new ATOM 0 HA LYS A 11 14.682 -3.147 3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.691 -2.632 1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.764 -0.948 1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 11 17.343 -1.391 3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.999 -3.109 3.454 1.00 0.00 H new ATOM 0 HD2 LYS A 11 18.298 -3.516 1.551 1.00 0.00 H new ATOM 0 HD3 LYS A 11 17.984 -1.935 0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 11 19.633 -2.191 3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 11 20.391 -2.394 1.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 20.263 -0.193 1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.583 -0.199 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 19.638 0.013 3.068 1.00 0.00 H new ATOM 190 N THR A 12 13.496 -0.368 4.241 1.00 0.00 N ATOM 191 CA THR A 12 13.423 0.702 5.277 1.00 0.00 C ATOM 192 C THR A 12 12.380 0.336 6.334 1.00 0.00 C ATOM 193 O THR A 12 12.516 0.682 7.494 1.00 0.00 O ATOM 194 CB THR A 12 12.999 1.962 4.520 1.00 0.00 C ATOM 195 OG1 THR A 12 13.908 2.199 3.454 1.00 0.00 O ATOM 196 CG2 THR A 12 13.003 3.157 5.473 1.00 0.00 C ATOM 0 H THR A 12 12.660 -0.472 3.666 1.00 0.00 H new ATOM 0 HA THR A 12 14.371 0.841 5.796 1.00 0.00 H new ATOM 0 HB THR A 12 11.995 1.826 4.118 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.554 2.904 2.873 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.701 4.054 4.933 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.305 2.973 6.290 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.006 3.297 5.877 1.00 0.00 H new ATOM 204 N LEU A 13 11.340 -0.360 5.943 1.00 0.00 N ATOM 205 CA LEU A 13 10.287 -0.748 6.931 1.00 0.00 C ATOM 206 C LEU A 13 9.799 -2.175 6.658 1.00 0.00 C ATOM 207 O LEU A 13 10.090 -2.750 5.625 1.00 0.00 O ATOM 208 CB LEU A 13 9.160 0.266 6.722 1.00 0.00 C ATOM 209 CG LEU A 13 8.562 0.656 8.075 1.00 0.00 C ATOM 210 CD1 LEU A 13 9.480 1.663 8.768 1.00 0.00 C ATOM 211 CD2 LEU A 13 7.185 1.288 7.860 1.00 0.00 C ATOM 0 H LEU A 13 11.176 -0.675 4.987 1.00 0.00 H new ATOM 0 HA LEU A 13 10.656 -0.739 7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.543 1.151 6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.388 -0.160 6.081 1.00 0.00 H new ATOM 0 HG LEU A 13 8.462 -0.233 8.697 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.054 1.941 9.732 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.462 1.215 8.921 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.580 2.552 8.146 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.758 1.566 8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.286 2.177 7.237 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.529 0.571 7.366 1.00 0.00 H new ATOM 223 N LYS A 14 9.067 -2.749 7.580 1.00 0.00 N ATOM 224 CA LYS A 14 8.561 -4.143 7.385 1.00 0.00 C ATOM 225 C LYS A 14 7.298 -4.372 8.220 1.00 0.00 C ATOM 226 O LYS A 14 7.201 -3.920 9.346 1.00 0.00 O ATOM 227 CB LYS A 14 9.698 -5.047 7.874 1.00 0.00 C ATOM 228 CG LYS A 14 10.444 -5.641 6.674 1.00 0.00 C ATOM 229 CD LYS A 14 9.914 -7.050 6.379 1.00 0.00 C ATOM 230 CE LYS A 14 11.084 -7.989 6.071 1.00 0.00 C ATOM 231 NZ LYS A 14 10.464 -9.334 5.907 1.00 0.00 N ATOM 0 H LYS A 14 8.797 -2.312 8.461 1.00 0.00 H new ATOM 0 HA LYS A 14 8.295 -4.344 6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.387 -4.475 8.495 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.297 -5.847 8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.313 -5.003 5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.513 -5.681 6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.351 -7.424 7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.227 -7.021 5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.608 -7.683 5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.815 -7.987 6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.203 -10.033 5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.978 -9.602 6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.777 -9.307 5.126 1.00 0.00 H new ATOM 245 N GLY A 15 6.332 -5.077 7.679 1.00 0.00 N ATOM 246 CA GLY A 15 5.079 -5.342 8.442 1.00 0.00 C ATOM 247 C GLY A 15 3.866 -5.078 7.550 1.00 0.00 C ATOM 248 O GLY A 15 3.824 -5.494 6.407 1.00 0.00 O ATOM 0 H GLY A 15 6.361 -5.479 6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.067 -6.374 8.793 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.038 -4.705 9.325 1.00 0.00 H new ATOM 252 N GLU A 16 2.879 -4.391 8.067 1.00 0.00 N ATOM 253 CA GLU A 16 1.659 -4.096 7.257 1.00 0.00 C ATOM 254 C GLU A 16 0.997 -2.801 7.741 1.00 0.00 C ATOM 255 O GLU A 16 1.246 -2.340 8.839 1.00 0.00 O ATOM 256 CB GLU A 16 0.730 -5.297 7.477 1.00 0.00 C ATOM 257 CG GLU A 16 0.410 -5.451 8.971 1.00 0.00 C ATOM 258 CD GLU A 16 -0.965 -4.849 9.270 1.00 0.00 C ATOM 259 OE1 GLU A 16 -1.042 -3.639 9.407 1.00 0.00 O ATOM 260 OE2 GLU A 16 -1.916 -5.608 9.357 1.00 0.00 O ATOM 0 H GLU A 16 2.866 -4.021 9.017 1.00 0.00 H new ATOM 0 HA GLU A 16 1.892 -3.953 6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.192 -5.161 6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.202 -6.205 7.103 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.424 -6.505 9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.173 -4.953 9.569 1.00 0.00 H new ATOM 267 N THR A 17 0.156 -2.217 6.926 1.00 0.00 N ATOM 268 CA THR A 17 -0.531 -0.952 7.326 1.00 0.00 C ATOM 269 C THR A 17 -1.944 -0.913 6.738 1.00 0.00 C ATOM 270 O THR A 17 -2.206 -1.485 5.697 1.00 0.00 O ATOM 271 CB THR A 17 0.328 0.169 6.738 1.00 0.00 C ATOM 272 OG1 THR A 17 1.681 -0.017 7.130 1.00 0.00 O ATOM 273 CG2 THR A 17 -0.173 1.521 7.250 1.00 0.00 C ATOM 0 H THR A 17 -0.085 -2.563 5.997 1.00 0.00 H new ATOM 0 HA THR A 17 -0.634 -0.860 8.407 1.00 0.00 H new ATOM 0 HB THR A 17 0.259 0.147 5.650 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.250 0.624 6.656 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.440 2.319 6.830 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.210 1.663 6.947 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.106 1.546 8.338 1.00 0.00 H new ATOM 281 N THR A 18 -2.854 -0.243 7.400 1.00 0.00 N ATOM 282 CA THR A 18 -4.254 -0.165 6.885 1.00 0.00 C ATOM 283 C THR A 18 -4.738 1.288 6.881 1.00 0.00 C ATOM 284 O THR A 18 -4.231 2.122 7.607 1.00 0.00 O ATOM 285 CB THR A 18 -5.083 -1.003 7.860 1.00 0.00 C ATOM 286 OG1 THR A 18 -4.699 -0.694 9.193 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.845 -2.489 7.589 1.00 0.00 C ATOM 0 H THR A 18 -2.687 0.253 8.275 1.00 0.00 H new ATOM 0 HA THR A 18 -4.337 -0.530 5.861 1.00 0.00 H new ATOM 0 HB THR A 18 -6.141 -0.777 7.725 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.231 -1.229 9.819 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.436 -3.085 8.284 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.141 -2.724 6.567 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.788 -2.718 7.723 1.00 0.00 H new ATOM 295 N THR A 19 -5.716 1.593 6.065 1.00 0.00 N ATOM 296 CA THR A 19 -6.241 2.991 6.004 1.00 0.00 C ATOM 297 C THR A 19 -7.731 2.983 5.644 1.00 0.00 C ATOM 298 O THR A 19 -8.360 1.943 5.592 1.00 0.00 O ATOM 299 CB THR A 19 -5.418 3.682 4.910 1.00 0.00 C ATOM 300 OG1 THR A 19 -5.856 5.027 4.771 1.00 0.00 O ATOM 301 CG2 THR A 19 -5.591 2.949 3.575 1.00 0.00 C ATOM 0 H THR A 19 -6.174 0.932 5.437 1.00 0.00 H new ATOM 0 HA THR A 19 -6.152 3.507 6.960 1.00 0.00 H new ATOM 0 HB THR A 19 -4.365 3.663 5.191 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.026 5.219 3.825 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.002 3.449 2.806 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.252 1.918 3.679 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.643 2.957 3.289 1.00 0.00 H new ATOM 309 N GLU A 20 -8.297 4.138 5.396 1.00 0.00 N ATOM 310 CA GLU A 20 -9.746 4.208 5.038 1.00 0.00 C ATOM 311 C GLU A 20 -9.926 4.918 3.693 1.00 0.00 C ATOM 312 O GLU A 20 -9.829 6.127 3.602 1.00 0.00 O ATOM 313 CB GLU A 20 -10.392 5.019 6.162 1.00 0.00 C ATOM 314 CG GLU A 20 -10.420 4.183 7.442 1.00 0.00 C ATOM 315 CD GLU A 20 -11.589 3.198 7.382 1.00 0.00 C ATOM 316 OE1 GLU A 20 -12.708 3.621 7.624 1.00 0.00 O ATOM 317 OE2 GLU A 20 -11.347 2.038 7.093 1.00 0.00 O ATOM 0 H GLU A 20 -7.816 5.037 5.426 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.194 3.220 4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.833 5.940 6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.405 5.308 5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.480 3.642 7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.522 4.833 8.311 1.00 0.00 H new ATOM 324 N ALA A 21 -10.190 4.171 2.650 1.00 0.00 N ATOM 325 CA ALA A 21 -10.379 4.791 1.305 1.00 0.00 C ATOM 326 C ALA A 21 -11.684 4.295 0.675 1.00 0.00 C ATOM 327 O ALA A 21 -12.153 3.213 0.976 1.00 0.00 O ATOM 328 CB ALA A 21 -9.176 4.328 0.482 1.00 0.00 C ATOM 0 H ALA A 21 -10.283 3.156 2.674 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.443 5.878 1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.242 4.743 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.257 4.671 0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.171 3.239 0.425 1.00 0.00 H new ATOM 334 N VAL A 22 -12.270 5.078 -0.196 1.00 0.00 N ATOM 335 CA VAL A 22 -13.545 4.654 -0.849 1.00 0.00 C ATOM 336 C VAL A 22 -13.270 3.594 -1.926 1.00 0.00 C ATOM 337 O VAL A 22 -14.146 2.832 -2.290 1.00 0.00 O ATOM 338 CB VAL A 22 -14.134 5.934 -1.462 1.00 0.00 C ATOM 339 CG1 VAL A 22 -13.153 6.541 -2.471 1.00 0.00 C ATOM 340 CG2 VAL A 22 -15.453 5.605 -2.169 1.00 0.00 C ATOM 0 H VAL A 22 -11.920 5.992 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.238 4.199 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.314 6.655 -0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.584 7.447 -2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.218 6.786 -1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.959 5.822 -3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.870 6.514 -2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.271 4.876 -2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.158 5.191 -1.449 1.00 0.00 H new ATOM 350 N ASP A 23 -12.061 3.537 -2.435 1.00 0.00 N ATOM 351 CA ASP A 23 -11.727 2.524 -3.485 1.00 0.00 C ATOM 352 C ASP A 23 -10.223 2.537 -3.773 1.00 0.00 C ATOM 353 O ASP A 23 -9.470 3.264 -3.153 1.00 0.00 O ATOM 354 CB ASP A 23 -12.518 2.944 -4.733 1.00 0.00 C ATOM 355 CG ASP A 23 -12.175 4.388 -5.135 1.00 0.00 C ATOM 356 OD1 ASP A 23 -11.241 4.945 -4.577 1.00 0.00 O ATOM 357 OD2 ASP A 23 -12.856 4.913 -6.001 1.00 0.00 O ATOM 0 H ASP A 23 -11.291 4.150 -2.167 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.984 1.513 -3.170 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.291 2.268 -5.558 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.587 2.860 -4.537 1.00 0.00 H new ATOM 362 N ALA A 24 -9.782 1.729 -4.705 1.00 0.00 N ATOM 363 CA ALA A 24 -8.325 1.674 -5.041 1.00 0.00 C ATOM 364 C ALA A 24 -7.785 3.069 -5.384 1.00 0.00 C ATOM 365 O ALA A 24 -6.603 3.331 -5.258 1.00 0.00 O ATOM 366 CB ALA A 24 -8.228 0.753 -6.259 1.00 0.00 C ATOM 0 H ALA A 24 -10.372 1.101 -5.251 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.734 1.310 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.186 0.663 -6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.617 -0.232 -6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.812 1.171 -7.079 1.00 0.00 H new ATOM 372 N ALA A 25 -8.640 3.960 -5.821 1.00 0.00 N ATOM 373 CA ALA A 25 -8.177 5.339 -6.179 1.00 0.00 C ATOM 374 C ALA A 25 -7.536 6.021 -4.966 1.00 0.00 C ATOM 375 O ALA A 25 -6.430 6.523 -5.040 1.00 0.00 O ATOM 376 CB ALA A 25 -9.440 6.090 -6.608 1.00 0.00 C ATOM 0 H ALA A 25 -9.639 3.793 -5.946 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.425 5.323 -6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.179 7.111 -6.886 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.891 5.585 -7.462 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.150 6.109 -5.782 1.00 0.00 H new ATOM 382 N THR A 26 -8.226 6.044 -3.854 1.00 0.00 N ATOM 383 CA THR A 26 -7.666 6.695 -2.631 1.00 0.00 C ATOM 384 C THR A 26 -6.686 5.753 -1.922 1.00 0.00 C ATOM 385 O THR A 26 -5.787 6.189 -1.228 1.00 0.00 O ATOM 386 CB THR A 26 -8.878 6.977 -1.741 1.00 0.00 C ATOM 387 OG1 THR A 26 -9.850 7.700 -2.484 1.00 0.00 O ATOM 388 CG2 THR A 26 -8.444 7.801 -0.528 1.00 0.00 C ATOM 0 H THR A 26 -9.155 5.639 -3.740 1.00 0.00 H new ATOM 0 HA THR A 26 -7.112 7.603 -2.868 1.00 0.00 H new ATOM 0 HB THR A 26 -9.306 6.034 -1.401 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.464 8.151 -1.868 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.309 8.001 0.105 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.699 7.246 0.041 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.015 8.745 -0.864 1.00 0.00 H new ATOM 396 N ALA A 27 -6.858 4.465 -2.090 1.00 0.00 N ATOM 397 CA ALA A 27 -5.940 3.487 -1.424 1.00 0.00 C ATOM 398 C ALA A 27 -4.495 3.710 -1.882 1.00 0.00 C ATOM 399 O ALA A 27 -3.636 4.063 -1.097 1.00 0.00 O ATOM 400 CB ALA A 27 -6.433 2.109 -1.865 1.00 0.00 C ATOM 0 H ALA A 27 -7.594 4.048 -2.659 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.948 3.595 -0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.807 1.338 -1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.465 1.972 -1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.378 2.033 -2.951 1.00 0.00 H new ATOM 406 N GLU A 28 -4.225 3.508 -3.148 1.00 0.00 N ATOM 407 CA GLU A 28 -2.835 3.708 -3.665 1.00 0.00 C ATOM 408 C GLU A 28 -2.392 5.154 -3.437 1.00 0.00 C ATOM 409 O GLU A 28 -1.263 5.410 -3.075 1.00 0.00 O ATOM 410 CB GLU A 28 -2.913 3.396 -5.162 1.00 0.00 C ATOM 411 CG GLU A 28 -1.577 2.820 -5.635 1.00 0.00 C ATOM 412 CD GLU A 28 -1.634 2.568 -7.143 1.00 0.00 C ATOM 413 OE1 GLU A 28 -2.654 2.083 -7.604 1.00 0.00 O ATOM 414 OE2 GLU A 28 -0.657 2.864 -7.810 1.00 0.00 O ATOM 0 H GLU A 28 -4.907 3.213 -3.846 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.111 3.070 -3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.716 2.685 -5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.149 4.302 -5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.768 3.512 -5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.363 1.890 -5.108 1.00 0.00 H new ATOM 421 N LYS A 29 -3.276 6.099 -3.638 1.00 0.00 N ATOM 422 CA LYS A 29 -2.906 7.536 -3.425 1.00 0.00 C ATOM 423 C LYS A 29 -2.401 7.749 -1.993 1.00 0.00 C ATOM 424 O LYS A 29 -1.470 8.497 -1.757 1.00 0.00 O ATOM 425 CB LYS A 29 -4.196 8.323 -3.663 1.00 0.00 C ATOM 426 CG LYS A 29 -3.877 9.816 -3.751 1.00 0.00 C ATOM 427 CD LYS A 29 -5.180 10.618 -3.787 1.00 0.00 C ATOM 428 CE LYS A 29 -4.996 11.852 -4.673 1.00 0.00 C ATOM 429 NZ LYS A 29 -6.352 12.459 -4.776 1.00 0.00 N ATOM 0 H LYS A 29 -4.237 5.940 -3.940 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.107 7.857 -4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.674 7.988 -4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.901 8.139 -2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.274 10.120 -2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.288 10.020 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.990 9.999 -4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.461 10.920 -2.778 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.283 12.550 -4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.610 11.579 -5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.306 13.312 -5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.007 11.774 -5.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.690 12.716 -3.827 1.00 0.00 H new ATOM 443 N VAL A 30 -3.008 7.088 -1.041 1.00 0.00 N ATOM 444 CA VAL A 30 -2.572 7.235 0.379 1.00 0.00 C ATOM 445 C VAL A 30 -1.380 6.314 0.657 1.00 0.00 C ATOM 446 O VAL A 30 -0.383 6.729 1.219 1.00 0.00 O ATOM 447 CB VAL A 30 -3.789 6.812 1.210 1.00 0.00 C ATOM 448 CG1 VAL A 30 -3.445 6.854 2.703 1.00 0.00 C ATOM 449 CG2 VAL A 30 -4.951 7.768 0.931 1.00 0.00 C ATOM 0 H VAL A 30 -3.790 6.450 -1.188 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.252 8.250 0.616 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.073 5.796 0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.315 6.552 3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.619 6.173 2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.156 7.867 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.818 7.469 1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.660 8.783 1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.204 7.734 -0.129 1.00 0.00 H new ATOM 459 N PHE A 31 -1.482 5.068 0.273 1.00 0.00 N ATOM 460 CA PHE A 31 -0.360 4.113 0.519 1.00 0.00 C ATOM 461 C PHE A 31 0.884 4.552 -0.256 1.00 0.00 C ATOM 462 O PHE A 31 1.998 4.384 0.205 1.00 0.00 O ATOM 463 CB PHE A 31 -0.863 2.754 0.026 1.00 0.00 C ATOM 464 CG PHE A 31 -1.636 2.069 1.132 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.055 1.899 2.396 1.00 0.00 C ATOM 466 CD2 PHE A 31 -2.933 1.602 0.892 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.771 1.262 3.417 1.00 0.00 C ATOM 468 CE2 PHE A 31 -3.649 0.966 1.913 1.00 0.00 C ATOM 469 CZ PHE A 31 -3.068 0.796 3.176 1.00 0.00 C ATOM 0 H PHE A 31 -2.293 4.670 -0.200 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.078 4.072 1.571 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.499 2.886 -0.849 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.022 2.133 -0.282 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.054 2.260 2.583 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.382 1.732 -0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.322 1.130 4.390 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.650 0.606 1.727 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.621 0.305 3.963 1.00 0.00 H new ATOM 479 N LYS A 32 0.705 5.126 -1.421 1.00 0.00 N ATOM 480 CA LYS A 32 1.885 5.591 -2.212 1.00 0.00 C ATOM 481 C LYS A 32 2.596 6.705 -1.442 1.00 0.00 C ATOM 482 O LYS A 32 3.805 6.704 -1.302 1.00 0.00 O ATOM 483 CB LYS A 32 1.321 6.123 -3.531 1.00 0.00 C ATOM 484 CG LYS A 32 2.470 6.583 -4.431 1.00 0.00 C ATOM 485 CD LYS A 32 2.089 6.366 -5.897 1.00 0.00 C ATOM 486 CE LYS A 32 3.309 6.618 -6.784 1.00 0.00 C ATOM 487 NZ LYS A 32 2.751 6.883 -8.139 1.00 0.00 N ATOM 0 H LYS A 32 -0.203 5.292 -1.856 1.00 0.00 H new ATOM 0 HA LYS A 32 2.607 4.794 -2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.743 5.346 -4.031 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.641 6.953 -3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.686 7.636 -4.253 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.377 6.027 -4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.724 5.349 -6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.278 7.038 -6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.891 7.466 -6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.975 5.756 -6.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.529 7.065 -8.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.208 6.056 -8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.126 7.713 -8.101 1.00 0.00 H new ATOM 501 N GLN A 33 1.844 7.647 -0.926 1.00 0.00 N ATOM 502 CA GLN A 33 2.462 8.760 -0.141 1.00 0.00 C ATOM 503 C GLN A 33 3.159 8.191 1.095 1.00 0.00 C ATOM 504 O GLN A 33 4.136 8.728 1.579 1.00 0.00 O ATOM 505 CB GLN A 33 1.298 9.669 0.260 1.00 0.00 C ATOM 506 CG GLN A 33 1.842 10.933 0.929 1.00 0.00 C ATOM 507 CD GLN A 33 2.523 11.812 -0.121 1.00 0.00 C ATOM 508 OE1 GLN A 33 2.093 11.868 -1.256 1.00 0.00 O ATOM 509 NE2 GLN A 33 3.576 12.508 0.212 1.00 0.00 N ATOM 0 H GLN A 33 0.829 7.693 -1.015 1.00 0.00 H new ATOM 0 HA GLN A 33 3.213 9.306 -0.712 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.711 9.934 -0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.630 9.143 0.942 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.031 11.482 1.408 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.552 10.666 1.712 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.938 12.462 1.165 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.037 13.098 -0.480 1.00 0.00 H new ATOM 518 N TYR A 34 2.662 7.093 1.589 1.00 0.00 N ATOM 519 CA TYR A 34 3.278 6.443 2.784 1.00 0.00 C ATOM 520 C TYR A 34 4.614 5.803 2.370 1.00 0.00 C ATOM 521 O TYR A 34 5.648 6.066 2.956 1.00 0.00 O ATOM 522 CB TYR A 34 2.232 5.392 3.229 1.00 0.00 C ATOM 523 CG TYR A 34 2.867 4.270 4.025 1.00 0.00 C ATOM 524 CD1 TYR A 34 3.098 4.429 5.393 1.00 0.00 C ATOM 525 CD2 TYR A 34 3.223 3.077 3.386 1.00 0.00 C ATOM 526 CE1 TYR A 34 3.687 3.392 6.127 1.00 0.00 C ATOM 527 CE2 TYR A 34 3.811 2.040 4.116 1.00 0.00 C ATOM 528 CZ TYR A 34 4.043 2.197 5.489 1.00 0.00 C ATOM 529 OH TYR A 34 4.623 1.175 6.212 1.00 0.00 O ATOM 0 H TYR A 34 1.846 6.611 1.213 1.00 0.00 H new ATOM 0 HA TYR A 34 3.507 7.130 3.599 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.464 5.876 3.832 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.735 4.979 2.351 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.823 5.351 5.884 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.043 2.957 2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.867 3.514 7.185 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.086 1.119 3.623 1.00 0.00 H new ATOM 0 HH TYR A 34 4.302 1.206 7.137 1.00 0.00 H new ATOM 539 N ALA A 35 4.588 4.967 1.365 1.00 0.00 N ATOM 540 CA ALA A 35 5.845 4.301 0.902 1.00 0.00 C ATOM 541 C ALA A 35 6.864 5.348 0.448 1.00 0.00 C ATOM 542 O ALA A 35 8.048 5.212 0.682 1.00 0.00 O ATOM 543 CB ALA A 35 5.423 3.421 -0.276 1.00 0.00 C ATOM 0 H ALA A 35 3.749 4.715 0.843 1.00 0.00 H new ATOM 0 HA ALA A 35 6.316 3.721 1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.295 2.899 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.685 2.693 0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.989 4.044 -1.058 1.00 0.00 H new ATOM 549 N ASN A 36 6.411 6.389 -0.205 1.00 0.00 N ATOM 550 CA ASN A 36 7.348 7.448 -0.685 1.00 0.00 C ATOM 551 C ASN A 36 8.131 8.050 0.488 1.00 0.00 C ATOM 552 O ASN A 36 9.305 8.348 0.372 1.00 0.00 O ATOM 553 CB ASN A 36 6.460 8.512 -1.335 1.00 0.00 C ATOM 554 CG ASN A 36 7.228 9.195 -2.468 1.00 0.00 C ATOM 555 OD1 ASN A 36 8.365 9.585 -2.298 1.00 0.00 O ATOM 556 ND2 ASN A 36 6.649 9.356 -3.627 1.00 0.00 N ATOM 0 H ASN A 36 5.429 6.551 -0.427 1.00 0.00 H new ATOM 0 HA ASN A 36 8.083 7.049 -1.383 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.550 8.054 -1.723 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.155 9.249 -0.592 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.152 9.809 -4.390 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.694 9.028 -3.770 1.00 0.00 H new ATOM 563 N ASP A 37 7.486 8.230 1.613 1.00 0.00 N ATOM 564 CA ASP A 37 8.187 8.815 2.799 1.00 0.00 C ATOM 565 C ASP A 37 9.234 7.833 3.334 1.00 0.00 C ATOM 566 O ASP A 37 10.313 8.225 3.736 1.00 0.00 O ATOM 567 CB ASP A 37 7.091 9.052 3.840 1.00 0.00 C ATOM 568 CG ASP A 37 7.469 10.247 4.718 1.00 0.00 C ATOM 569 OD1 ASP A 37 7.650 11.323 4.173 1.00 0.00 O ATOM 570 OD2 ASP A 37 7.572 10.065 5.920 1.00 0.00 O ATOM 0 H ASP A 37 6.504 7.997 1.762 1.00 0.00 H new ATOM 0 HA ASP A 37 8.714 9.736 2.550 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.138 9.239 3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.961 8.162 4.456 1.00 0.00 H new ATOM 575 N ASN A 38 8.921 6.562 3.338 1.00 0.00 N ATOM 576 CA ASN A 38 9.895 5.548 3.844 1.00 0.00 C ATOM 577 C ASN A 38 10.909 5.201 2.751 1.00 0.00 C ATOM 578 O ASN A 38 12.057 4.910 3.027 1.00 0.00 O ATOM 579 CB ASN A 38 9.048 4.324 4.197 1.00 0.00 C ATOM 580 CG ASN A 38 8.075 4.681 5.322 1.00 0.00 C ATOM 581 OD1 ASN A 38 8.439 5.359 6.263 1.00 0.00 O ATOM 582 ND2 ASN A 38 6.845 4.250 5.266 1.00 0.00 N ATOM 0 H ASN A 38 8.032 6.182 3.012 1.00 0.00 H new ATOM 0 HA ASN A 38 10.462 5.911 4.701 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.497 3.985 3.320 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.692 3.501 4.507 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.189 4.482 6.012 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.539 3.681 4.476 1.00 0.00 H new ATOM 589 N GLY A 39 10.487 5.230 1.513 1.00 0.00 N ATOM 590 CA GLY A 39 11.414 4.904 0.391 1.00 0.00 C ATOM 591 C GLY A 39 11.131 3.486 -0.109 1.00 0.00 C ATOM 592 O GLY A 39 12.035 2.689 -0.279 1.00 0.00 O ATOM 0 H GLY A 39 9.536 5.467 1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.285 5.620 -0.421 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.448 4.984 0.725 1.00 0.00 H new ATOM 596 N ILE A 40 9.882 3.168 -0.346 1.00 0.00 N ATOM 597 CA ILE A 40 9.535 1.801 -0.837 1.00 0.00 C ATOM 598 C ILE A 40 9.201 1.844 -2.332 1.00 0.00 C ATOM 599 O ILE A 40 8.099 1.525 -2.740 1.00 0.00 O ATOM 600 CB ILE A 40 8.320 1.369 -0.003 1.00 0.00 C ATOM 601 CG1 ILE A 40 8.748 1.263 1.466 1.00 0.00 C ATOM 602 CG2 ILE A 40 7.804 0.003 -0.489 1.00 0.00 C ATOM 603 CD1 ILE A 40 7.541 0.925 2.344 1.00 0.00 C ATOM 0 H ILE A 40 9.089 3.797 -0.220 1.00 0.00 H new ATOM 0 HA ILE A 40 10.360 1.098 -0.727 1.00 0.00 H new ATOM 0 HB ILE A 40 7.521 2.103 -0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.513 0.494 1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.192 2.203 1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.942 -0.294 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.511 0.076 -1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.593 -0.742 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.857 0.852 3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.790 1.709 2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.115 -0.027 2.027 1.00 0.00 H new ATOM 615 N ASP A 41 10.153 2.213 -3.150 1.00 0.00 N ATOM 616 CA ASP A 41 9.906 2.250 -4.621 1.00 0.00 C ATOM 617 C ASP A 41 10.096 0.841 -5.188 1.00 0.00 C ATOM 618 O ASP A 41 10.942 0.604 -6.030 1.00 0.00 O ATOM 619 CB ASP A 41 10.959 3.208 -5.180 1.00 0.00 C ATOM 620 CG ASP A 41 10.590 4.646 -4.810 1.00 0.00 C ATOM 621 OD1 ASP A 41 9.566 5.114 -5.281 1.00 0.00 O ATOM 622 OD2 ASP A 41 11.337 5.254 -4.063 1.00 0.00 O ATOM 0 H ASP A 41 11.091 2.490 -2.862 1.00 0.00 H new ATOM 0 HA ASP A 41 8.899 2.578 -4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.942 2.959 -4.779 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.021 3.105 -6.263 1.00 0.00 H new ATOM 627 N GLY A 42 9.321 -0.097 -4.709 1.00 0.00 N ATOM 628 CA GLY A 42 9.448 -1.503 -5.181 1.00 0.00 C ATOM 629 C GLY A 42 8.500 -1.753 -6.348 1.00 0.00 C ATOM 630 O GLY A 42 8.301 -0.905 -7.197 1.00 0.00 O ATOM 0 H GLY A 42 8.599 0.055 -4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.475 -1.700 -5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.222 -2.190 -4.366 1.00 0.00 H new ATOM 634 N GLU A 43 7.908 -2.917 -6.383 1.00 0.00 N ATOM 635 CA GLU A 43 6.961 -3.251 -7.472 1.00 0.00 C ATOM 636 C GLU A 43 5.561 -3.397 -6.886 1.00 0.00 C ATOM 637 O GLU A 43 5.280 -4.324 -6.149 1.00 0.00 O ATOM 638 CB GLU A 43 7.456 -4.577 -8.051 1.00 0.00 C ATOM 639 CG GLU A 43 8.712 -4.331 -8.890 1.00 0.00 C ATOM 640 CD GLU A 43 8.313 -4.068 -10.343 1.00 0.00 C ATOM 641 OE1 GLU A 43 7.750 -4.962 -10.954 1.00 0.00 O ATOM 642 OE2 GLU A 43 8.577 -2.977 -10.821 1.00 0.00 O ATOM 0 H GLU A 43 8.046 -3.655 -5.693 1.00 0.00 H new ATOM 0 HA GLU A 43 6.914 -2.483 -8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.675 -5.278 -7.246 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.678 -5.030 -8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.265 -3.479 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.374 -5.195 -8.834 1.00 0.00 H new ATOM 649 N TRP A 44 4.695 -2.467 -7.181 1.00 0.00 N ATOM 650 CA TRP A 44 3.325 -2.518 -6.617 1.00 0.00 C ATOM 651 C TRP A 44 2.437 -3.515 -7.352 1.00 0.00 C ATOM 652 O TRP A 44 2.501 -3.671 -8.556 1.00 0.00 O ATOM 653 CB TRP A 44 2.781 -1.102 -6.755 1.00 0.00 C ATOM 654 CG TRP A 44 3.395 -0.267 -5.687 1.00 0.00 C ATOM 655 CD1 TRP A 44 4.690 0.120 -5.657 1.00 0.00 C ATOM 656 CD2 TRP A 44 2.776 0.267 -4.485 1.00 0.00 C ATOM 657 NE1 TRP A 44 4.904 0.863 -4.511 1.00 0.00 N ATOM 658 CE2 TRP A 44 3.754 0.980 -3.755 1.00 0.00 C ATOM 659 CE3 TRP A 44 1.472 0.203 -3.963 1.00 0.00 C ATOM 660 CZ2 TRP A 44 3.450 1.605 -2.548 1.00 0.00 C ATOM 661 CZ3 TRP A 44 1.162 0.834 -2.748 1.00 0.00 C ATOM 662 CH2 TRP A 44 2.150 1.533 -2.041 1.00 0.00 C ATOM 0 H TRP A 44 4.882 -1.672 -7.792 1.00 0.00 H new ATOM 0 HA TRP A 44 3.342 -2.855 -5.581 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.018 -0.697 -7.739 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.695 -1.100 -6.663 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.434 -0.113 -6.404 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.802 1.275 -4.255 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.705 -0.335 -4.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.215 2.142 -2.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.157 0.781 -2.356 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.907 2.015 -1.106 1.00 0.00 H new ATOM 673 N THR A 45 1.594 -4.171 -6.610 1.00 0.00 N ATOM 674 CA THR A 45 0.653 -5.158 -7.197 1.00 0.00 C ATOM 675 C THR A 45 -0.552 -5.277 -6.270 1.00 0.00 C ATOM 676 O THR A 45 -0.407 -5.386 -5.066 1.00 0.00 O ATOM 677 CB THR A 45 1.419 -6.477 -7.265 1.00 0.00 C ATOM 678 OG1 THR A 45 2.141 -6.667 -6.056 1.00 0.00 O ATOM 679 CG2 THR A 45 2.392 -6.444 -8.444 1.00 0.00 C ATOM 0 H THR A 45 1.517 -4.061 -5.599 1.00 0.00 H new ATOM 0 HA THR A 45 0.297 -4.872 -8.187 1.00 0.00 H new ATOM 0 HB THR A 45 0.716 -7.299 -7.401 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.632 -7.514 -6.098 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.938 -7.386 -8.491 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.836 -6.300 -9.370 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.096 -5.623 -8.312 1.00 0.00 H new ATOM 687 N TYR A 46 -1.733 -5.230 -6.814 1.00 0.00 N ATOM 688 CA TYR A 46 -2.953 -5.310 -5.962 1.00 0.00 C ATOM 689 C TYR A 46 -3.570 -6.714 -6.051 1.00 0.00 C ATOM 690 O TYR A 46 -3.337 -7.449 -6.992 1.00 0.00 O ATOM 691 CB TYR A 46 -3.881 -4.227 -6.546 1.00 0.00 C ATOM 692 CG TYR A 46 -5.303 -4.380 -6.042 1.00 0.00 C ATOM 693 CD1 TYR A 46 -6.155 -5.316 -6.640 1.00 0.00 C ATOM 694 CD2 TYR A 46 -5.770 -3.579 -4.993 1.00 0.00 C ATOM 695 CE1 TYR A 46 -7.473 -5.451 -6.190 1.00 0.00 C ATOM 696 CE2 TYR A 46 -7.085 -3.716 -4.542 1.00 0.00 C ATOM 697 CZ TYR A 46 -7.938 -4.651 -5.142 1.00 0.00 C ATOM 698 OH TYR A 46 -9.239 -4.784 -4.702 1.00 0.00 O ATOM 0 H TYR A 46 -1.909 -5.139 -7.815 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.759 -5.144 -4.902 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.503 -3.240 -6.278 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.872 -4.287 -7.634 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.795 -5.934 -7.449 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.114 -2.855 -4.533 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.131 -6.173 -6.652 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.444 -3.101 -3.730 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.757 -5.292 -5.361 1.00 0.00 H new ATOM 708 N ASP A 47 -4.358 -7.075 -5.073 1.00 0.00 N ATOM 709 CA ASP A 47 -5.007 -8.418 -5.077 1.00 0.00 C ATOM 710 C ASP A 47 -6.503 -8.268 -4.788 1.00 0.00 C ATOM 711 O ASP A 47 -6.898 -7.900 -3.697 1.00 0.00 O ATOM 712 CB ASP A 47 -4.314 -9.200 -3.958 1.00 0.00 C ATOM 713 CG ASP A 47 -4.035 -10.631 -4.426 1.00 0.00 C ATOM 714 OD1 ASP A 47 -4.983 -11.390 -4.545 1.00 0.00 O ATOM 715 OD2 ASP A 47 -2.878 -10.943 -4.656 1.00 0.00 O ATOM 0 H ASP A 47 -4.581 -6.492 -4.266 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.914 -8.926 -6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.381 -8.709 -3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.943 -9.214 -3.068 1.00 0.00 H new ATOM 720 N ASP A 48 -7.332 -8.544 -5.762 1.00 0.00 N ATOM 721 CA ASP A 48 -8.809 -8.414 -5.558 1.00 0.00 C ATOM 722 C ASP A 48 -9.318 -9.472 -4.572 1.00 0.00 C ATOM 723 O ASP A 48 -10.381 -9.329 -3.997 1.00 0.00 O ATOM 724 CB ASP A 48 -9.426 -8.635 -6.941 1.00 0.00 C ATOM 725 CG ASP A 48 -10.670 -7.757 -7.092 1.00 0.00 C ATOM 726 OD1 ASP A 48 -10.508 -6.565 -7.290 1.00 0.00 O ATOM 727 OD2 ASP A 48 -11.762 -8.293 -7.006 1.00 0.00 O ATOM 0 H ASP A 48 -7.051 -8.854 -6.692 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.074 -7.443 -5.140 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.700 -8.392 -7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.691 -9.685 -7.069 1.00 0.00 H new ATOM 732 N ALA A 49 -8.573 -10.535 -4.374 1.00 0.00 N ATOM 733 CA ALA A 49 -9.016 -11.607 -3.430 1.00 0.00 C ATOM 734 C ALA A 49 -9.318 -11.021 -2.046 1.00 0.00 C ATOM 735 O ALA A 49 -10.281 -11.394 -1.402 1.00 0.00 O ATOM 736 CB ALA A 49 -7.842 -12.585 -3.350 1.00 0.00 C ATOM 0 H ALA A 49 -7.675 -10.705 -4.828 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.930 -12.092 -3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.094 -13.401 -2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.635 -12.987 -4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.960 -12.065 -2.978 1.00 0.00 H new ATOM 742 N THR A 50 -8.498 -10.109 -1.587 1.00 0.00 N ATOM 743 CA THR A 50 -8.730 -9.495 -0.244 1.00 0.00 C ATOM 744 C THR A 50 -8.253 -8.037 -0.223 1.00 0.00 C ATOM 745 O THR A 50 -8.004 -7.477 0.827 1.00 0.00 O ATOM 746 CB THR A 50 -7.898 -10.341 0.724 1.00 0.00 C ATOM 747 OG1 THR A 50 -6.533 -10.295 0.336 1.00 0.00 O ATOM 748 CG2 THR A 50 -8.390 -11.790 0.697 1.00 0.00 C ATOM 0 H THR A 50 -7.678 -9.763 -2.085 1.00 0.00 H new ATOM 0 HA THR A 50 -9.787 -9.482 0.021 1.00 0.00 H new ATOM 0 HB THR A 50 -8.004 -9.945 1.734 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.998 -10.835 0.955 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.796 -12.389 1.387 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.438 -11.824 0.996 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.288 -12.190 -0.312 1.00 0.00 H new ATOM 756 N LYS A 51 -8.126 -7.414 -1.375 1.00 0.00 N ATOM 757 CA LYS A 51 -7.666 -5.984 -1.428 1.00 0.00 C ATOM 758 C LYS A 51 -6.370 -5.801 -0.629 1.00 0.00 C ATOM 759 O LYS A 51 -6.403 -5.510 0.554 1.00 0.00 O ATOM 760 CB LYS A 51 -8.804 -5.167 -0.794 1.00 0.00 C ATOM 761 CG LYS A 51 -9.425 -4.240 -1.843 1.00 0.00 C ATOM 762 CD LYS A 51 -10.704 -4.874 -2.394 1.00 0.00 C ATOM 763 CE LYS A 51 -11.829 -4.731 -1.367 1.00 0.00 C ATOM 764 NZ LYS A 51 -13.045 -4.426 -2.171 1.00 0.00 N ATOM 0 H LYS A 51 -8.322 -7.835 -2.283 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.454 -5.667 -2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.564 -5.837 -0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.421 -4.581 0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.650 -3.270 -1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.717 -4.063 -2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.988 -4.391 -3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.533 -5.927 -2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.956 -5.647 -0.790 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.615 -3.933 -0.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.861 -4.314 -1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.897 -3.545 -2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.227 -5.206 -2.835 1.00 0.00 H new ATOM 778 N THR A 52 -5.233 -5.970 -1.258 1.00 0.00 N ATOM 779 CA THR A 52 -3.948 -5.806 -0.516 1.00 0.00 C ATOM 780 C THR A 52 -2.820 -5.338 -1.442 1.00 0.00 C ATOM 781 O THR A 52 -2.251 -6.119 -2.182 1.00 0.00 O ATOM 782 CB THR A 52 -3.633 -7.197 0.036 1.00 0.00 C ATOM 783 OG1 THR A 52 -4.810 -7.759 0.600 1.00 0.00 O ATOM 784 CG2 THR A 52 -2.550 -7.087 1.112 1.00 0.00 C ATOM 0 H THR A 52 -5.140 -6.212 -2.244 1.00 0.00 H new ATOM 0 HA THR A 52 -4.034 -5.052 0.266 1.00 0.00 H new ATOM 0 HB THR A 52 -3.276 -7.837 -0.771 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.980 -8.636 0.196 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.326 -8.079 1.505 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.648 -6.656 0.678 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.904 -6.448 1.921 1.00 0.00 H new ATOM 792 N PHE A 53 -2.475 -4.074 -1.384 1.00 0.00 N ATOM 793 CA PHE A 53 -1.358 -3.559 -2.237 1.00 0.00 C ATOM 794 C PHE A 53 -0.058 -4.244 -1.811 1.00 0.00 C ATOM 795 O PHE A 53 0.219 -4.366 -0.632 1.00 0.00 O ATOM 796 CB PHE A 53 -1.287 -2.057 -1.951 1.00 0.00 C ATOM 797 CG PHE A 53 -2.450 -1.354 -2.608 1.00 0.00 C ATOM 798 CD1 PHE A 53 -2.348 -0.926 -3.936 1.00 0.00 C ATOM 799 CD2 PHE A 53 -3.628 -1.125 -1.886 1.00 0.00 C ATOM 800 CE1 PHE A 53 -3.423 -0.267 -4.544 1.00 0.00 C ATOM 801 CE2 PHE A 53 -4.704 -0.467 -2.494 1.00 0.00 C ATOM 802 CZ PHE A 53 -4.601 -0.038 -3.823 1.00 0.00 C ATOM 0 H PHE A 53 -2.918 -3.378 -0.784 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.512 -3.753 -3.298 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.305 -1.881 -0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.347 -1.651 -2.325 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.440 -1.104 -4.492 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.706 -1.456 -0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.344 0.065 -5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.613 -0.290 -1.938 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.431 0.470 -4.292 1.00 0.00 H new ATOM 812 N THR A 54 0.727 -4.719 -2.746 1.00 0.00 N ATOM 813 CA THR A 54 1.990 -5.426 -2.355 1.00 0.00 C ATOM 814 C THR A 54 3.239 -4.834 -3.034 1.00 0.00 C ATOM 815 O THR A 54 3.542 -5.154 -4.168 1.00 0.00 O ATOM 816 CB THR A 54 1.770 -6.873 -2.810 1.00 0.00 C ATOM 817 OG1 THR A 54 0.590 -7.381 -2.204 1.00 0.00 O ATOM 818 CG2 THR A 54 2.964 -7.742 -2.402 1.00 0.00 C ATOM 0 H THR A 54 0.554 -4.651 -3.749 1.00 0.00 H new ATOM 0 HA THR A 54 2.177 -5.332 -1.285 1.00 0.00 H new ATOM 0 HB THR A 54 1.669 -6.894 -3.895 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.445 -8.306 -2.494 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.797 -8.768 -2.730 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.871 -7.356 -2.867 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.075 -7.722 -1.318 1.00 0.00 H new ATOM 826 N VAL A 55 3.992 -4.015 -2.328 1.00 0.00 N ATOM 827 CA VAL A 55 5.245 -3.457 -2.913 1.00 0.00 C ATOM 828 C VAL A 55 6.452 -4.203 -2.325 1.00 0.00 C ATOM 829 O VAL A 55 6.333 -4.923 -1.349 1.00 0.00 O ATOM 830 CB VAL A 55 5.299 -1.957 -2.552 1.00 0.00 C ATOM 831 CG1 VAL A 55 5.467 -1.767 -1.047 1.00 0.00 C ATOM 832 CG2 VAL A 55 6.491 -1.311 -3.261 1.00 0.00 C ATOM 0 H VAL A 55 3.788 -3.714 -1.375 1.00 0.00 H new ATOM 0 HA VAL A 55 5.266 -3.577 -3.996 1.00 0.00 H new ATOM 0 HB VAL A 55 4.365 -1.492 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.503 -0.702 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.625 -2.223 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.394 -2.240 -0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.533 -0.251 -3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.412 -1.797 -2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.378 -1.423 -4.339 1.00 0.00 H new ATOM 842 N THR A 56 7.603 -4.029 -2.910 1.00 0.00 N ATOM 843 CA THR A 56 8.825 -4.718 -2.409 1.00 0.00 C ATOM 844 C THR A 56 10.075 -3.996 -2.923 1.00 0.00 C ATOM 845 O THR A 56 10.376 -4.026 -4.103 1.00 0.00 O ATOM 846 CB THR A 56 8.729 -6.123 -3.001 1.00 0.00 C ATOM 847 OG1 THR A 56 7.557 -6.760 -2.512 1.00 0.00 O ATOM 848 CG2 THR A 56 9.960 -6.947 -2.607 1.00 0.00 C ATOM 0 H THR A 56 7.751 -3.432 -3.724 1.00 0.00 H new ATOM 0 HA THR A 56 8.894 -4.732 -1.321 1.00 0.00 H new ATOM 0 HB THR A 56 8.684 -6.050 -4.088 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.492 -7.661 -2.891 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.881 -7.947 -3.034 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.859 -6.461 -2.985 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.016 -7.020 -1.521 1.00 0.00 H new ATOM 856 N GLU A 57 10.800 -3.350 -2.045 1.00 0.00 N ATOM 857 CA GLU A 57 12.032 -2.622 -2.471 1.00 0.00 C ATOM 858 C GLU A 57 13.278 -3.332 -1.933 1.00 0.00 C ATOM 859 O GLU A 57 13.514 -3.248 -0.739 1.00 0.00 O ATOM 860 CB GLU A 57 11.902 -1.228 -1.855 1.00 0.00 C ATOM 861 CG GLU A 57 13.058 -0.347 -2.334 1.00 0.00 C ATOM 862 CD GLU A 57 14.218 -0.444 -1.342 1.00 0.00 C ATOM 863 OE1 GLU A 57 14.092 0.102 -0.258 1.00 0.00 O ATOM 864 OE2 GLU A 57 15.213 -1.062 -1.683 1.00 0.00 O ATOM 865 OXT GLU A 57 13.973 -3.947 -2.725 1.00 0.00 O ATOM 0 H GLU A 57 10.590 -3.296 -1.048 1.00 0.00 H new ATOM 0 HA GLU A 57 12.133 -2.581 -3.556 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.949 -0.781 -2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.911 -1.297 -0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.385 -0.664 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.728 0.688 -2.424 1.00 0.00 H new