USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 ASN : amide:sc= 0.139 K(o=-0.41,f=0.45) USER MOD Set 1.2: A 56 THR OG1 : rot -141:sc= -0.548 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 52 THR OG1 : rot 65:sc= 0.387 USER MOD Set 3.1: A 45 THR OG1 : rot -7:sc= -0.0708 USER MOD Set 3.2: A 54 THR OG1 : rot 148:sc= 0.585 USER MOD Single : A 2 THR OG1 : rot 28:sc= 0.292 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00342 USER MOD Single : A 5 LYS NZ :NH3+ -176:sc= 0.301 (180deg=0.289) USER MOD Single : A 11 LYS NZ :NH3+ -134:sc= 1.24 (180deg=0.0163) USER MOD Single : A 12 THR OG1 : rot 162:sc= -0.521! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 25:sc= 0.324 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= -0.298 X(o=-0.3,f=-0.018) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.08 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -2.471 -12.205 6.009 1.00 0.00 N ATOM 21 CA THR A 2 -2.753 -11.193 4.948 1.00 0.00 C ATOM 22 C THR A 2 -1.829 -9.983 5.110 1.00 0.00 C ATOM 23 O THR A 2 -2.262 -8.848 5.043 1.00 0.00 O ATOM 24 CB THR A 2 -4.212 -10.787 5.166 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.035 -11.944 5.127 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.643 -9.814 4.067 1.00 0.00 C ATOM 0 HA THR A 2 -2.585 -11.588 3.946 1.00 0.00 H new ATOM 0 HB THR A 2 -4.313 -10.302 6.137 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.516 -12.725 5.412 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.682 -9.526 4.223 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.011 -8.926 4.099 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.543 -10.296 3.094 1.00 0.00 H new ATOM 34 N THR A 3 -0.558 -10.220 5.320 1.00 0.00 N ATOM 35 CA THR A 3 0.404 -9.088 5.486 1.00 0.00 C ATOM 36 C THR A 3 0.721 -8.460 4.127 1.00 0.00 C ATOM 37 O THR A 3 1.638 -8.874 3.444 1.00 0.00 O ATOM 38 CB THR A 3 1.661 -9.713 6.094 1.00 0.00 C ATOM 39 OG1 THR A 3 1.286 -10.624 7.119 1.00 0.00 O ATOM 40 CG2 THR A 3 2.544 -8.613 6.686 1.00 0.00 C ATOM 0 H THR A 3 -0.145 -11.150 5.384 1.00 0.00 H new ATOM 0 HA THR A 3 0.000 -8.296 6.117 1.00 0.00 H new ATOM 0 HB THR A 3 2.215 -10.244 5.320 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.090 -11.027 7.509 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.439 -9.059 7.119 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.830 -7.914 5.900 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.992 -8.081 7.461 1.00 0.00 H new ATOM 48 N PHE A 4 -0.032 -7.464 3.736 1.00 0.00 N ATOM 49 CA PHE A 4 0.219 -6.800 2.422 1.00 0.00 C ATOM 50 C PHE A 4 1.426 -5.865 2.528 1.00 0.00 C ATOM 51 O PHE A 4 1.641 -5.234 3.547 1.00 0.00 O ATOM 52 CB PHE A 4 -1.053 -6.005 2.124 1.00 0.00 C ATOM 53 CG PHE A 4 -2.075 -6.914 1.487 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.851 -7.414 0.201 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.243 -7.255 2.177 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.792 -8.258 -0.395 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.186 -8.100 1.578 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.960 -8.601 0.292 1.00 0.00 C ATOM 0 H PHE A 4 -0.811 -7.081 4.271 1.00 0.00 H new ATOM 0 HA PHE A 4 0.440 -7.518 1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.453 -5.579 3.044 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.827 -5.172 1.459 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.950 -7.148 -0.332 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.417 -6.867 3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.617 -8.646 -1.388 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.088 -8.365 2.110 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.687 -9.252 -0.170 1.00 0.00 H new ATOM 68 N LYS A 5 2.213 -5.775 1.486 1.00 0.00 N ATOM 69 CA LYS A 5 3.411 -4.882 1.521 1.00 0.00 C ATOM 70 C LYS A 5 3.198 -3.688 0.586 1.00 0.00 C ATOM 71 O LYS A 5 2.111 -3.488 0.074 1.00 0.00 O ATOM 72 CB LYS A 5 4.573 -5.750 1.031 1.00 0.00 C ATOM 73 CG LYS A 5 4.736 -6.966 1.949 1.00 0.00 C ATOM 74 CD LYS A 5 3.941 -8.143 1.380 1.00 0.00 C ATOM 75 CE LYS A 5 4.602 -9.458 1.801 1.00 0.00 C ATOM 76 NZ LYS A 5 3.533 -10.486 1.664 1.00 0.00 N ATOM 0 H LYS A 5 2.078 -6.282 0.611 1.00 0.00 H new ATOM 0 HA LYS A 5 3.601 -4.481 2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.388 -6.077 0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.494 -5.167 1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.790 -7.232 2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.385 -6.727 2.953 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.913 -8.109 1.740 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.900 -8.076 0.293 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.457 -9.691 1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.970 -9.405 2.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.889 -11.404 1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.708 -10.206 2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.255 -10.567 0.665 1.00 0.00 H new ATOM 90 N LEU A 6 4.219 -2.891 0.356 1.00 0.00 N ATOM 91 CA LEU A 6 4.048 -1.714 -0.551 1.00 0.00 C ATOM 92 C LEU A 6 5.401 -1.186 -1.032 1.00 0.00 C ATOM 93 O LEU A 6 6.162 -0.619 -0.269 1.00 0.00 O ATOM 94 CB LEU A 6 3.329 -0.658 0.305 1.00 0.00 C ATOM 95 CG LEU A 6 3.158 0.647 -0.491 1.00 0.00 C ATOM 96 CD1 LEU A 6 2.114 0.446 -1.588 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.698 1.764 0.448 1.00 0.00 C ATOM 0 H LEU A 6 5.151 -3.005 0.753 1.00 0.00 H new ATOM 0 HA LEU A 6 3.486 -1.973 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.354 -1.034 0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.900 -0.466 1.213 1.00 0.00 H new ATOM 0 HG LEU A 6 4.112 0.920 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.995 1.372 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.441 -0.347 -2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.161 0.170 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.577 2.688 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.746 1.489 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.443 1.912 1.230 1.00 0.00 H new ATOM 109 N ILE A 7 5.681 -1.325 -2.301 1.00 0.00 N ATOM 110 CA ILE A 7 6.955 -0.788 -2.851 1.00 0.00 C ATOM 111 C ILE A 7 6.729 0.686 -3.180 1.00 0.00 C ATOM 112 O ILE A 7 6.027 1.015 -4.120 1.00 0.00 O ATOM 113 CB ILE A 7 7.235 -1.594 -4.120 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.373 -3.077 -3.766 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.537 -1.101 -4.756 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.171 -3.924 -5.023 1.00 0.00 C ATOM 0 H ILE A 7 5.079 -1.789 -2.981 1.00 0.00 H new ATOM 0 HA ILE A 7 7.794 -0.867 -2.160 1.00 0.00 H new ATOM 0 HB ILE A 7 6.411 -1.464 -4.822 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.357 -3.270 -3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.638 -3.351 -3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.739 -1.674 -5.661 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.441 -0.045 -5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.359 -1.233 -4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.269 -4.980 -4.770 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.177 -3.740 -5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.923 -3.657 -5.766 1.00 0.00 H new ATOM 128 N ILE A 8 7.283 1.572 -2.397 1.00 0.00 N ATOM 129 CA ILE A 8 7.059 3.024 -2.652 1.00 0.00 C ATOM 130 C ILE A 8 8.026 3.526 -3.728 1.00 0.00 C ATOM 131 O ILE A 8 9.218 3.623 -3.506 1.00 0.00 O ATOM 132 CB ILE A 8 7.324 3.767 -1.330 1.00 0.00 C ATOM 133 CG1 ILE A 8 6.644 3.055 -0.110 1.00 0.00 C ATOM 134 CG2 ILE A 8 6.821 5.210 -1.488 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.238 3.603 0.186 1.00 0.00 C ATOM 0 H ILE A 8 7.877 1.355 -1.597 1.00 0.00 H new ATOM 0 HA ILE A 8 6.041 3.198 -3.001 1.00 0.00 H new ATOM 0 HB ILE A 8 8.394 3.764 -1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.579 1.985 -0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.271 3.177 0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.997 5.760 -0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.355 5.694 -2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.753 5.201 -1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.814 3.075 1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.303 4.667 0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.599 3.456 -0.685 1.00 0.00 H new ATOM 147 N ASN A 9 7.517 3.853 -4.889 1.00 0.00 N ATOM 148 CA ASN A 9 8.400 4.357 -5.984 1.00 0.00 C ATOM 149 C ASN A 9 8.393 5.889 -6.003 1.00 0.00 C ATOM 150 O ASN A 9 7.401 6.515 -5.678 1.00 0.00 O ATOM 151 CB ASN A 9 7.790 3.805 -7.273 1.00 0.00 C ATOM 152 CG ASN A 9 8.728 4.096 -8.445 1.00 0.00 C ATOM 153 OD1 ASN A 9 9.743 3.447 -8.602 1.00 0.00 O ATOM 154 ND2 ASN A 9 8.430 5.052 -9.281 1.00 0.00 N ATOM 0 H ASN A 9 6.527 3.793 -5.126 1.00 0.00 H new ATOM 0 HA ASN A 9 9.436 4.043 -5.856 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.628 2.731 -7.181 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.816 4.260 -7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.049 5.254 -10.066 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.578 5.597 -9.150 1.00 0.00 H new ATOM 161 N GLY A 10 9.492 6.493 -6.380 1.00 0.00 N ATOM 162 CA GLY A 10 9.555 7.985 -6.422 1.00 0.00 C ATOM 163 C GLY A 10 10.763 8.471 -5.620 1.00 0.00 C ATOM 164 O GLY A 10 11.804 7.843 -5.608 1.00 0.00 O ATOM 0 H GLY A 10 10.349 6.016 -6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.630 8.327 -7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.639 8.409 -6.011 1.00 0.00 H new ATOM 168 N LYS A 11 10.627 9.587 -4.947 1.00 0.00 N ATOM 169 CA LYS A 11 11.765 10.124 -4.140 1.00 0.00 C ATOM 170 C LYS A 11 11.371 10.231 -2.661 1.00 0.00 C ATOM 171 O LYS A 11 12.194 10.055 -1.783 1.00 0.00 O ATOM 172 CB LYS A 11 12.067 11.509 -4.729 1.00 0.00 C ATOM 173 CG LYS A 11 10.826 12.404 -4.649 1.00 0.00 C ATOM 174 CD LYS A 11 11.184 13.814 -5.121 1.00 0.00 C ATOM 175 CE LYS A 11 10.163 14.811 -4.567 1.00 0.00 C ATOM 176 NZ LYS A 11 8.905 14.526 -5.311 1.00 0.00 N ATOM 0 H LYS A 11 9.776 10.149 -4.922 1.00 0.00 H new ATOM 0 HA LYS A 11 12.638 9.473 -4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.892 11.970 -4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.385 11.409 -5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.028 11.993 -5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.452 12.435 -3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.186 14.078 -4.784 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.193 13.853 -6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.025 14.680 -3.494 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.490 15.839 -4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.482 15.420 -5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.117 13.926 -6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.236 14.032 -4.686 1.00 0.00 H new ATOM 190 N THR A 12 10.123 10.514 -2.381 1.00 0.00 N ATOM 191 CA THR A 12 9.680 10.627 -0.958 1.00 0.00 C ATOM 192 C THR A 12 9.563 9.241 -0.336 1.00 0.00 C ATOM 193 O THR A 12 8.694 8.472 -0.686 1.00 0.00 O ATOM 194 CB THR A 12 8.313 11.317 -1.004 1.00 0.00 C ATOM 195 OG1 THR A 12 8.329 12.332 -1.999 1.00 0.00 O ATOM 196 CG2 THR A 12 8.005 11.944 0.358 1.00 0.00 C ATOM 0 H THR A 12 9.393 10.671 -3.076 1.00 0.00 H new ATOM 0 HA THR A 12 10.390 11.191 -0.353 1.00 0.00 H new ATOM 0 HB THR A 12 7.545 10.581 -1.244 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.409 12.572 -2.236 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.032 12.434 0.321 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.991 11.166 1.122 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.772 12.679 0.602 1.00 0.00 H new ATOM 204 N LEU A 13 10.441 8.926 0.587 1.00 0.00 N ATOM 205 CA LEU A 13 10.414 7.590 1.258 1.00 0.00 C ATOM 206 C LEU A 13 10.578 6.469 0.208 1.00 0.00 C ATOM 207 O LEU A 13 10.336 6.667 -0.968 1.00 0.00 O ATOM 208 CB LEU A 13 9.064 7.554 2.039 1.00 0.00 C ATOM 209 CG LEU A 13 8.045 6.575 1.434 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.426 5.132 1.798 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.651 6.891 1.986 1.00 0.00 C ATOM 0 H LEU A 13 11.184 9.547 0.907 1.00 0.00 H new ATOM 0 HA LEU A 13 11.237 7.429 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.257 7.274 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.633 8.555 2.054 1.00 0.00 H new ATOM 0 HG LEU A 13 8.044 6.680 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.699 4.444 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.417 4.907 1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.432 5.020 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.925 6.199 1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.657 6.787 3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.378 7.912 1.721 1.00 0.00 H new ATOM 223 N LYS A 14 10.991 5.300 0.631 1.00 0.00 N ATOM 224 CA LYS A 14 11.174 4.170 -0.321 1.00 0.00 C ATOM 225 C LYS A 14 11.418 2.865 0.444 1.00 0.00 C ATOM 226 O LYS A 14 12.289 2.789 1.290 1.00 0.00 O ATOM 227 CB LYS A 14 12.395 4.543 -1.171 1.00 0.00 C ATOM 228 CG LYS A 14 13.623 4.737 -0.274 1.00 0.00 C ATOM 229 CD LYS A 14 14.644 5.618 -0.996 1.00 0.00 C ATOM 230 CE LYS A 14 15.217 4.857 -2.193 1.00 0.00 C ATOM 231 NZ LYS A 14 16.652 5.251 -2.245 1.00 0.00 N ATOM 0 H LYS A 14 11.210 5.082 1.603 1.00 0.00 H new ATOM 0 HA LYS A 14 10.292 4.010 -0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.590 3.760 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.194 5.458 -1.728 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.329 5.199 0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.066 3.771 -0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.171 6.541 -1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.445 5.899 -0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.107 3.780 -2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.700 5.124 -3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.116 4.769 -3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.725 6.281 -2.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.119 4.979 -1.357 1.00 0.00 H new ATOM 245 N GLY A 15 10.656 1.837 0.150 1.00 0.00 N ATOM 246 CA GLY A 15 10.847 0.538 0.861 1.00 0.00 C ATOM 247 C GLY A 15 9.616 -0.353 0.676 1.00 0.00 C ATOM 248 O GLY A 15 8.652 0.023 0.036 1.00 0.00 O ATOM 0 H GLY A 15 9.914 1.844 -0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.732 0.032 0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.018 0.718 1.922 1.00 0.00 H new ATOM 252 N GLU A 16 9.652 -1.536 1.234 1.00 0.00 N ATOM 253 CA GLU A 16 8.500 -2.479 1.107 1.00 0.00 C ATOM 254 C GLU A 16 8.025 -2.913 2.496 1.00 0.00 C ATOM 255 O GLU A 16 8.183 -4.054 2.890 1.00 0.00 O ATOM 256 CB GLU A 16 9.061 -3.670 0.327 1.00 0.00 C ATOM 257 CG GLU A 16 7.946 -4.682 0.051 1.00 0.00 C ATOM 258 CD GLU A 16 8.547 -5.950 -0.557 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.266 -5.832 -1.535 1.00 0.00 O ATOM 260 OE2 GLU A 16 8.279 -7.019 -0.034 1.00 0.00 O ATOM 0 H GLU A 16 10.438 -1.892 1.778 1.00 0.00 H new ATOM 0 HA GLU A 16 7.641 -2.032 0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.495 -3.329 -0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.862 -4.144 0.895 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.422 -4.923 0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.211 -4.253 -0.630 1.00 0.00 H new ATOM 267 N ILE A 17 7.437 -2.007 3.239 1.00 0.00 N ATOM 268 CA ILE A 17 6.942 -2.361 4.605 1.00 0.00 C ATOM 269 C ILE A 17 5.871 -3.450 4.496 1.00 0.00 C ATOM 270 O ILE A 17 5.517 -3.865 3.409 1.00 0.00 O ATOM 271 CB ILE A 17 6.351 -1.067 5.178 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.227 -0.553 4.269 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.449 -0.007 5.273 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.423 0.517 5.009 1.00 0.00 C ATOM 0 H ILE A 17 7.279 -1.039 2.959 1.00 0.00 H new ATOM 0 HA ILE A 17 7.733 -2.749 5.246 1.00 0.00 H new ATOM 0 HB ILE A 17 5.945 -1.269 6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.647 -0.139 3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.575 -1.376 3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.031 0.914 5.680 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.245 -0.365 5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.855 0.186 4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.624 0.883 4.364 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.991 0.088 5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.080 1.344 5.278 1.00 0.00 H new ATOM 286 N THR A 18 5.360 -3.916 5.605 1.00 0.00 N ATOM 287 CA THR A 18 4.316 -4.984 5.559 1.00 0.00 C ATOM 288 C THR A 18 3.225 -4.713 6.599 1.00 0.00 C ATOM 289 O THR A 18 3.511 -4.421 7.746 1.00 0.00 O ATOM 290 CB THR A 18 5.060 -6.281 5.889 1.00 0.00 C ATOM 291 OG1 THR A 18 5.655 -6.168 7.174 1.00 0.00 O ATOM 292 CG2 THR A 18 6.148 -6.538 4.843 1.00 0.00 C ATOM 0 H THR A 18 5.620 -3.604 6.541 1.00 0.00 H new ATOM 0 HA THR A 18 3.821 -5.031 4.589 1.00 0.00 H new ATOM 0 HB THR A 18 4.355 -7.112 5.883 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.159 -5.512 7.708 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.673 -7.462 5.084 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.691 -6.627 3.857 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.855 -5.708 4.842 1.00 0.00 H new ATOM 300 N ILE A 19 1.978 -4.815 6.208 1.00 0.00 N ATOM 301 CA ILE A 19 0.864 -4.574 7.177 1.00 0.00 C ATOM 302 C ILE A 19 -0.289 -5.553 6.925 1.00 0.00 C ATOM 303 O ILE A 19 -0.736 -5.725 5.807 1.00 0.00 O ATOM 304 CB ILE A 19 0.412 -3.126 6.940 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.080 -2.953 5.497 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.585 -2.177 7.195 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.607 -3.077 5.457 1.00 0.00 C ATOM 0 H ILE A 19 1.684 -5.054 5.261 1.00 0.00 H new ATOM 0 HA ILE A 19 1.186 -4.727 8.207 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.405 -2.894 7.623 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.226 -1.981 5.112 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.373 -3.708 4.854 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.264 -1.149 7.027 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.925 -2.287 8.225 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.402 -2.418 6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.955 -2.954 4.432 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.902 -4.060 5.825 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.051 -2.306 6.086 1.00 0.00 H new ATOM 319 N GLU A 20 -0.769 -6.189 7.962 1.00 0.00 N ATOM 320 CA GLU A 20 -1.896 -7.160 7.800 1.00 0.00 C ATOM 321 C GLU A 20 -3.221 -6.409 7.630 1.00 0.00 C ATOM 322 O GLU A 20 -3.358 -5.275 8.047 1.00 0.00 O ATOM 323 CB GLU A 20 -1.901 -7.996 9.087 1.00 0.00 C ATOM 324 CG GLU A 20 -2.107 -7.088 10.310 1.00 0.00 C ATOM 325 CD GLU A 20 -3.513 -7.293 10.879 1.00 0.00 C ATOM 326 OE1 GLU A 20 -4.423 -7.509 10.095 1.00 0.00 O ATOM 327 OE2 GLU A 20 -3.656 -7.231 12.089 1.00 0.00 O ATOM 0 H GLU A 20 -0.429 -6.078 8.917 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.775 -7.788 6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.694 -8.742 9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.960 -8.537 9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.360 -7.314 11.071 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.968 -6.045 10.027 1.00 0.00 H new ATOM 334 N ALA A 21 -4.193 -7.038 7.016 1.00 0.00 N ATOM 335 CA ALA A 21 -5.512 -6.368 6.810 1.00 0.00 C ATOM 336 C ALA A 21 -6.556 -7.387 6.347 1.00 0.00 C ATOM 337 O ALA A 21 -6.225 -8.475 5.916 1.00 0.00 O ATOM 338 CB ALA A 21 -5.258 -5.329 5.718 1.00 0.00 C ATOM 0 H ALA A 21 -4.129 -7.987 6.649 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.894 -5.916 7.725 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.182 -4.790 5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.497 -4.625 6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.914 -5.829 4.813 1.00 0.00 H new ATOM 344 N VAL A 22 -7.817 -7.041 6.434 1.00 0.00 N ATOM 345 CA VAL A 22 -8.901 -7.980 6.002 1.00 0.00 C ATOM 346 C VAL A 22 -8.656 -8.460 4.563 1.00 0.00 C ATOM 347 O VAL A 22 -8.872 -9.612 4.235 1.00 0.00 O ATOM 348 CB VAL A 22 -10.199 -7.164 6.093 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.115 -5.944 5.169 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.388 -8.038 5.677 1.00 0.00 C ATOM 0 H VAL A 22 -8.145 -6.142 6.788 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.941 -8.874 6.624 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.336 -6.828 7.121 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.039 -5.370 5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.275 -5.317 5.469 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.971 -6.276 4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.308 -7.456 5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.247 -8.380 4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.456 -8.900 6.341 1.00 0.00 H new ATOM 360 N ASP A 23 -8.205 -7.576 3.712 1.00 0.00 N ATOM 361 CA ASP A 23 -7.937 -7.954 2.295 1.00 0.00 C ATOM 362 C ASP A 23 -7.031 -6.904 1.653 1.00 0.00 C ATOM 363 O ASP A 23 -6.719 -5.897 2.260 1.00 0.00 O ATOM 364 CB ASP A 23 -9.308 -7.967 1.619 1.00 0.00 C ATOM 365 CG ASP A 23 -9.875 -9.388 1.643 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.467 -10.181 0.810 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.706 -9.659 2.494 1.00 0.00 O ATOM 0 H ASP A 23 -8.010 -6.601 3.941 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.437 -8.918 2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.985 -7.285 2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.222 -7.616 0.591 1.00 0.00 H new ATOM 372 N ALA A 24 -6.606 -7.127 0.434 1.00 0.00 N ATOM 373 CA ALA A 24 -5.717 -6.131 -0.239 1.00 0.00 C ATOM 374 C ALA A 24 -6.426 -4.775 -0.335 1.00 0.00 C ATOM 375 O ALA A 24 -5.796 -3.735 -0.356 1.00 0.00 O ATOM 376 CB ALA A 24 -5.441 -6.696 -1.633 1.00 0.00 C ATOM 0 H ALA A 24 -6.835 -7.951 -0.122 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.792 -5.971 0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.793 -6.012 -2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.951 -7.666 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.382 -6.814 -2.171 1.00 0.00 H new ATOM 382 N ALA A 25 -7.740 -4.783 -0.383 1.00 0.00 N ATOM 383 CA ALA A 25 -8.504 -3.501 -0.466 1.00 0.00 C ATOM 384 C ALA A 25 -8.144 -2.598 0.717 1.00 0.00 C ATOM 385 O ALA A 25 -7.755 -1.458 0.544 1.00 0.00 O ATOM 386 CB ALA A 25 -9.980 -3.901 -0.405 1.00 0.00 C ATOM 0 H ALA A 25 -8.314 -5.626 -0.368 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.275 -2.946 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.602 -3.007 -0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.214 -4.559 -1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.177 -4.422 0.532 1.00 0.00 H new ATOM 392 N GLU A 26 -8.256 -3.110 1.918 1.00 0.00 N ATOM 393 CA GLU A 26 -7.905 -2.295 3.120 1.00 0.00 C ATOM 394 C GLU A 26 -6.417 -1.955 3.075 1.00 0.00 C ATOM 395 O GLU A 26 -6.017 -0.836 3.337 1.00 0.00 O ATOM 396 CB GLU A 26 -8.218 -3.186 4.325 1.00 0.00 C ATOM 397 CG GLU A 26 -9.526 -2.729 4.976 1.00 0.00 C ATOM 398 CD GLU A 26 -9.282 -1.444 5.769 1.00 0.00 C ATOM 399 OE1 GLU A 26 -8.919 -0.453 5.156 1.00 0.00 O ATOM 400 OE2 GLU A 26 -9.460 -1.472 6.975 1.00 0.00 O ATOM 0 H GLU A 26 -8.576 -4.058 2.117 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.459 -1.358 3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.301 -4.226 4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.404 -3.137 5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.284 -2.558 4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.908 -3.508 5.635 1.00 0.00 H new ATOM 407 N ALA A 27 -5.595 -2.914 2.722 1.00 0.00 N ATOM 408 CA ALA A 27 -4.122 -2.654 2.632 1.00 0.00 C ATOM 409 C ALA A 27 -3.865 -1.474 1.692 1.00 0.00 C ATOM 410 O ALA A 27 -3.160 -0.544 2.031 1.00 0.00 O ATOM 411 CB ALA A 27 -3.512 -3.932 2.051 1.00 0.00 C ATOM 0 H ALA A 27 -5.880 -3.866 2.492 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.689 -2.407 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.433 -3.810 1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.727 -4.771 2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.941 -4.126 1.068 1.00 0.00 H new ATOM 417 N GLU A 28 -4.457 -1.501 0.521 1.00 0.00 N ATOM 418 CA GLU A 28 -4.270 -0.372 -0.442 1.00 0.00 C ATOM 419 C GLU A 28 -4.726 0.935 0.208 1.00 0.00 C ATOM 420 O GLU A 28 -4.130 1.969 0.006 1.00 0.00 O ATOM 421 CB GLU A 28 -5.143 -0.706 -1.653 1.00 0.00 C ATOM 422 CG GLU A 28 -4.652 0.088 -2.869 1.00 0.00 C ATOM 423 CD GLU A 28 -5.830 0.374 -3.801 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.473 1.395 -3.617 1.00 0.00 O ATOM 425 OE2 GLU A 28 -6.070 -0.432 -4.685 1.00 0.00 O ATOM 0 H GLU A 28 -5.060 -2.255 0.192 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.227 -0.248 -0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.101 -1.775 -1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.185 -0.463 -1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.195 1.023 -2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.884 -0.476 -3.399 1.00 0.00 H new ATOM 432 N LYS A 29 -5.767 0.886 1.007 1.00 0.00 N ATOM 433 CA LYS A 29 -6.245 2.125 1.692 1.00 0.00 C ATOM 434 C LYS A 29 -5.222 2.538 2.751 1.00 0.00 C ATOM 435 O LYS A 29 -4.726 3.652 2.755 1.00 0.00 O ATOM 436 CB LYS A 29 -7.577 1.746 2.343 1.00 0.00 C ATOM 437 CG LYS A 29 -8.653 1.553 1.263 1.00 0.00 C ATOM 438 CD LYS A 29 -9.713 2.655 1.377 1.00 0.00 C ATOM 439 CE LYS A 29 -9.073 4.014 1.081 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.218 4.929 0.820 1.00 0.00 N ATOM 0 H LYS A 29 -6.303 0.043 1.212 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.368 2.964 1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.461 0.829 2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.885 2.525 3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.196 1.578 0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.120 0.574 1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.527 2.465 0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.146 2.655 2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.475 4.361 1.924 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.408 3.958 0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.860 5.882 0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.765 4.577 0.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.830 4.968 1.660 1.00 0.00 H new ATOM 454 N ILE A 30 -4.876 1.630 3.637 1.00 0.00 N ATOM 455 CA ILE A 30 -3.858 1.943 4.690 1.00 0.00 C ATOM 456 C ILE A 30 -2.567 2.398 4.005 1.00 0.00 C ATOM 457 O ILE A 30 -1.875 3.283 4.470 1.00 0.00 O ATOM 458 CB ILE A 30 -3.631 0.624 5.444 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.932 0.184 6.120 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.551 0.817 6.513 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.907 -1.333 6.333 1.00 0.00 C ATOM 0 H ILE A 30 -5.257 0.684 3.674 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.178 2.734 5.368 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.311 -0.139 4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.049 0.695 7.076 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.787 0.462 5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.394 -0.121 7.045 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.620 1.125 6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.870 1.585 7.218 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.833 -1.648 6.814 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.810 -1.834 5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.060 -1.598 6.967 1.00 0.00 H new ATOM 473 N PHE A 31 -2.265 1.799 2.884 1.00 0.00 N ATOM 474 CA PHE A 31 -1.044 2.187 2.127 1.00 0.00 C ATOM 475 C PHE A 31 -1.301 3.518 1.419 1.00 0.00 C ATOM 476 O PHE A 31 -0.422 4.349 1.296 1.00 0.00 O ATOM 477 CB PHE A 31 -0.829 1.060 1.109 1.00 0.00 C ATOM 478 CG PHE A 31 -0.067 -0.079 1.750 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.111 0.172 2.468 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.541 -1.388 1.626 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.813 -0.885 3.056 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.161 -2.446 2.215 1.00 0.00 C ATOM 483 CZ PHE A 31 1.338 -2.194 2.930 1.00 0.00 C ATOM 0 H PHE A 31 -2.816 1.053 2.459 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.169 2.316 2.764 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.791 0.703 0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.278 1.437 0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.477 1.183 2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.449 -1.583 1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.721 -0.690 3.607 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.205 -3.457 2.118 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.879 -3.011 3.384 1.00 0.00 H new ATOM 493 N LYS A 32 -2.511 3.721 0.956 1.00 0.00 N ATOM 494 CA LYS A 32 -2.854 4.990 0.257 1.00 0.00 C ATOM 495 C LYS A 32 -3.141 6.120 1.256 1.00 0.00 C ATOM 496 O LYS A 32 -3.482 7.220 0.862 1.00 0.00 O ATOM 497 CB LYS A 32 -4.100 4.684 -0.567 1.00 0.00 C ATOM 498 CG LYS A 32 -3.693 3.938 -1.840 1.00 0.00 C ATOM 499 CD LYS A 32 -4.946 3.409 -2.545 1.00 0.00 C ATOM 500 CE LYS A 32 -5.776 4.583 -3.074 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.502 4.621 -4.538 1.00 0.00 N ATOM 0 H LYS A 32 -3.279 3.054 1.035 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.025 5.330 -0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.796 4.080 0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.617 5.609 -0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.143 4.604 -2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.026 3.112 -1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.662 2.752 -3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.541 2.814 -1.852 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.838 4.437 -2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.487 5.518 -2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.036 5.401 -4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.485 4.768 -4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.793 3.721 -4.969 1.00 0.00 H new ATOM 515 N GLN A 33 -2.968 5.880 2.535 1.00 0.00 N ATOM 516 CA GLN A 33 -3.188 6.968 3.538 1.00 0.00 C ATOM 517 C GLN A 33 -1.810 7.316 4.069 1.00 0.00 C ATOM 518 O GLN A 33 -1.402 8.458 4.143 1.00 0.00 O ATOM 519 CB GLN A 33 -4.067 6.354 4.630 1.00 0.00 C ATOM 520 CG GLN A 33 -4.299 7.382 5.739 1.00 0.00 C ATOM 521 CD GLN A 33 -5.496 6.954 6.590 1.00 0.00 C ATOM 522 OE1 GLN A 33 -5.400 6.872 7.799 1.00 0.00 O ATOM 523 NE2 GLN A 33 -6.630 6.674 6.006 1.00 0.00 N ATOM 0 H GLN A 33 -2.685 4.981 2.925 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.668 7.865 3.146 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.021 6.037 4.208 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.588 5.464 5.039 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.409 7.468 6.362 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.481 8.365 5.306 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.712 6.742 4.992 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.434 6.387 6.564 1.00 0.00 H new ATOM 532 N TYR A 34 -1.077 6.286 4.365 1.00 0.00 N ATOM 533 CA TYR A 34 0.330 6.411 4.828 1.00 0.00 C ATOM 534 C TYR A 34 1.123 7.262 3.811 1.00 0.00 C ATOM 535 O TYR A 34 1.893 8.131 4.170 1.00 0.00 O ATOM 536 CB TYR A 34 0.768 4.935 4.823 1.00 0.00 C ATOM 537 CG TYR A 34 2.275 4.786 4.737 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.907 4.755 3.487 1.00 0.00 C ATOM 539 CD2 TYR A 34 3.034 4.680 5.907 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.298 4.616 3.410 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.425 4.543 5.831 1.00 0.00 C ATOM 542 CZ TYR A 34 5.057 4.510 4.582 1.00 0.00 C ATOM 543 OH TYR A 34 6.428 4.372 4.506 1.00 0.00 O ATOM 0 H TYR A 34 -1.408 5.323 4.303 1.00 0.00 H new ATOM 0 HA TYR A 34 0.477 6.898 5.792 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.407 4.447 5.729 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.305 4.423 3.979 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.321 4.838 2.583 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.546 4.704 6.870 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.786 4.591 2.447 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.010 4.463 6.735 1.00 0.00 H new ATOM 0 HH TYR A 34 6.801 4.313 5.410 1.00 0.00 H new ATOM 553 N ALA A 35 0.913 7.006 2.544 1.00 0.00 N ATOM 554 CA ALA A 35 1.619 7.781 1.474 1.00 0.00 C ATOM 555 C ALA A 35 1.280 9.269 1.589 1.00 0.00 C ATOM 556 O ALA A 35 2.152 10.117 1.578 1.00 0.00 O ATOM 557 CB ALA A 35 1.078 7.224 0.154 1.00 0.00 C ATOM 0 H ALA A 35 0.277 6.287 2.201 1.00 0.00 H new ATOM 0 HA ALA A 35 2.702 7.687 1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.549 7.743 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.300 6.159 0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.001 7.373 0.111 1.00 0.00 H new ATOM 563 N ASN A 36 0.014 9.589 1.694 1.00 0.00 N ATOM 564 CA ASN A 36 -0.402 11.023 1.804 1.00 0.00 C ATOM 565 C ASN A 36 0.273 11.691 3.004 1.00 0.00 C ATOM 566 O ASN A 36 0.817 12.773 2.898 1.00 0.00 O ATOM 567 CB ASN A 36 -1.914 10.989 2.006 1.00 0.00 C ATOM 568 CG ASN A 36 -2.613 10.958 0.644 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.418 11.817 0.342 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.339 9.999 -0.197 1.00 0.00 N ATOM 0 H ASN A 36 -0.753 8.917 1.708 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.117 11.593 0.920 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.194 10.112 2.590 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.235 11.864 2.571 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.800 9.971 -1.106 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.664 9.277 0.055 1.00 0.00 H new ATOM 577 N ASP A 37 0.236 11.050 4.144 1.00 0.00 N ATOM 578 CA ASP A 37 0.872 11.642 5.365 1.00 0.00 C ATOM 579 C ASP A 37 2.354 11.939 5.122 1.00 0.00 C ATOM 580 O ASP A 37 2.949 12.763 5.791 1.00 0.00 O ATOM 581 CB ASP A 37 0.709 10.584 6.460 1.00 0.00 C ATOM 582 CG ASP A 37 0.550 11.275 7.815 1.00 0.00 C ATOM 583 OD1 ASP A 37 1.495 11.913 8.248 1.00 0.00 O ATOM 584 OD2 ASP A 37 -0.516 11.155 8.397 1.00 0.00 O ATOM 0 H ASP A 37 -0.207 10.142 4.285 1.00 0.00 H new ATOM 0 HA ASP A 37 0.408 12.589 5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.161 9.961 6.253 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.577 9.924 6.475 1.00 0.00 H new ATOM 589 N ASN A 38 2.949 11.273 4.171 1.00 0.00 N ATOM 590 CA ASN A 38 4.386 11.502 3.872 1.00 0.00 C ATOM 591 C ASN A 38 4.542 12.363 2.613 1.00 0.00 C ATOM 592 O ASN A 38 5.526 13.060 2.449 1.00 0.00 O ATOM 593 CB ASN A 38 4.975 10.108 3.646 1.00 0.00 C ATOM 594 CG ASN A 38 5.654 9.625 4.930 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.742 9.086 4.889 1.00 0.00 O ATOM 596 ND2 ASN A 38 5.054 9.796 6.076 1.00 0.00 N ATOM 0 H ASN A 38 2.494 10.574 3.584 1.00 0.00 H new ATOM 0 HA ASN A 38 4.892 12.032 4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.188 9.412 3.355 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.696 10.135 2.829 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.498 9.477 6.937 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.141 10.249 6.111 1.00 0.00 H new ATOM 603 N GLY A 39 3.579 12.318 1.727 1.00 0.00 N ATOM 604 CA GLY A 39 3.666 13.129 0.476 1.00 0.00 C ATOM 605 C GLY A 39 3.869 12.201 -0.724 1.00 0.00 C ATOM 606 O GLY A 39 4.474 12.572 -1.713 1.00 0.00 O ATOM 0 H GLY A 39 2.735 11.753 1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.756 13.714 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.493 13.836 0.546 1.00 0.00 H new ATOM 610 N ILE A 40 3.368 10.995 -0.640 1.00 0.00 N ATOM 611 CA ILE A 40 3.522 10.026 -1.762 1.00 0.00 C ATOM 612 C ILE A 40 2.259 10.074 -2.630 1.00 0.00 C ATOM 613 O ILE A 40 1.212 9.580 -2.257 1.00 0.00 O ATOM 614 CB ILE A 40 3.733 8.674 -1.043 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.219 8.512 -0.733 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.274 7.469 -1.875 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.615 9.544 0.314 1.00 0.00 C ATOM 0 H ILE A 40 2.854 10.639 0.166 1.00 0.00 H new ATOM 0 HA ILE A 40 4.348 10.228 -2.443 1.00 0.00 H new ATOM 0 HB ILE A 40 3.127 8.693 -0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.421 7.505 -0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.811 8.646 -1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.449 6.551 -1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.210 7.562 -2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.836 7.436 -2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.675 9.440 0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.425 10.545 -0.072 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.029 9.387 1.220 1.00 0.00 H new ATOM 629 N ASP A 41 2.359 10.690 -3.775 1.00 0.00 N ATOM 630 CA ASP A 41 1.171 10.803 -4.678 1.00 0.00 C ATOM 631 C ASP A 41 1.577 10.667 -6.150 1.00 0.00 C ATOM 632 O ASP A 41 2.148 11.569 -6.732 1.00 0.00 O ATOM 633 CB ASP A 41 0.608 12.200 -4.412 1.00 0.00 C ATOM 634 CG ASP A 41 -0.727 12.362 -5.142 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.722 11.876 -4.631 1.00 0.00 O ATOM 636 OD2 ASP A 41 -0.730 12.970 -6.200 1.00 0.00 O ATOM 0 H ASP A 41 3.213 11.122 -4.128 1.00 0.00 H new ATOM 0 HA ASP A 41 0.444 10.014 -4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.469 12.349 -3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.314 12.958 -4.751 1.00 0.00 H new ATOM 641 N GLY A 42 1.272 9.546 -6.755 1.00 0.00 N ATOM 642 CA GLY A 42 1.621 9.338 -8.193 1.00 0.00 C ATOM 643 C GLY A 42 0.790 8.182 -8.755 1.00 0.00 C ATOM 644 O GLY A 42 -0.382 8.335 -9.045 1.00 0.00 O ATOM 0 H GLY A 42 0.794 8.762 -6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.429 10.248 -8.761 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.684 9.119 -8.293 1.00 0.00 H new ATOM 648 N GLU A 43 1.387 7.026 -8.911 1.00 0.00 N ATOM 649 CA GLU A 43 0.631 5.853 -9.461 1.00 0.00 C ATOM 650 C GLU A 43 0.347 4.826 -8.355 1.00 0.00 C ATOM 651 O GLU A 43 0.780 4.980 -7.236 1.00 0.00 O ATOM 652 CB GLU A 43 1.552 5.254 -10.525 1.00 0.00 C ATOM 653 CG GLU A 43 0.727 4.821 -11.739 1.00 0.00 C ATOM 654 CD GLU A 43 1.550 3.860 -12.598 1.00 0.00 C ATOM 655 OE1 GLU A 43 2.006 2.861 -12.065 1.00 0.00 O ATOM 656 OE2 GLU A 43 1.711 4.137 -13.775 1.00 0.00 O ATOM 0 H GLU A 43 2.364 6.842 -8.682 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.336 6.145 -9.871 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.301 5.987 -10.825 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.089 4.399 -10.115 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.193 4.337 -11.413 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.438 5.693 -12.325 1.00 0.00 H new ATOM 663 N TRP A 44 -0.375 3.779 -8.677 1.00 0.00 N ATOM 664 CA TRP A 44 -0.700 2.716 -7.669 1.00 0.00 C ATOM 665 C TRP A 44 -1.019 1.413 -8.394 1.00 0.00 C ATOM 666 O TRP A 44 -1.835 1.383 -9.298 1.00 0.00 O ATOM 667 CB TRP A 44 -1.949 3.208 -6.930 1.00 0.00 C ATOM 668 CG TRP A 44 -1.555 4.065 -5.781 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.472 5.415 -5.790 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.199 3.640 -4.445 1.00 0.00 C ATOM 671 NE1 TRP A 44 -1.068 5.843 -4.538 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.886 4.781 -3.673 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.112 2.377 -3.840 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.499 4.674 -2.340 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.723 2.263 -2.496 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.414 3.411 -1.748 1.00 0.00 C ATOM 0 H TRP A 44 -0.758 3.613 -9.607 1.00 0.00 H new ATOM 0 HA TRP A 44 0.130 2.536 -6.986 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.587 3.770 -7.612 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.532 2.357 -6.577 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.686 6.053 -6.635 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.923 6.820 -4.285 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.345 1.490 -4.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.266 5.560 -1.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.661 1.288 -2.035 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.111 3.318 -0.716 1.00 0.00 H new ATOM 687 N THR A 45 -0.387 0.337 -8.008 1.00 0.00 N ATOM 688 CA THR A 45 -0.658 -0.971 -8.680 1.00 0.00 C ATOM 689 C THR A 45 -0.584 -2.092 -7.659 1.00 0.00 C ATOM 690 O THR A 45 0.347 -2.169 -6.887 1.00 0.00 O ATOM 691 CB THR A 45 0.437 -1.161 -9.743 1.00 0.00 C ATOM 692 OG1 THR A 45 1.652 -1.542 -9.112 1.00 0.00 O ATOM 693 CG2 THR A 45 0.656 0.135 -10.522 1.00 0.00 C ATOM 0 H THR A 45 0.304 0.305 -7.258 1.00 0.00 H new ATOM 0 HA THR A 45 -1.649 -0.984 -9.133 1.00 0.00 H new ATOM 0 HB THR A 45 0.120 -1.940 -10.436 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.544 -1.495 -8.139 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.434 -0.017 -11.270 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.272 0.423 -11.017 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.962 0.925 -9.836 1.00 0.00 H new ATOM 701 N TYR A 46 -1.553 -2.962 -7.661 1.00 0.00 N ATOM 702 CA TYR A 46 -1.543 -4.095 -6.695 1.00 0.00 C ATOM 703 C TYR A 46 -0.944 -5.340 -7.364 1.00 0.00 C ATOM 704 O TYR A 46 -1.176 -5.603 -8.530 1.00 0.00 O ATOM 705 CB TYR A 46 -3.016 -4.310 -6.311 1.00 0.00 C ATOM 706 CG TYR A 46 -3.155 -5.594 -5.520 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.443 -5.753 -4.327 1.00 0.00 C ATOM 708 CD2 TYR A 46 -3.970 -6.627 -5.994 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.550 -6.943 -3.602 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.076 -7.820 -5.270 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.367 -7.979 -4.075 1.00 0.00 C ATOM 712 OH TYR A 46 -3.473 -9.157 -3.366 1.00 0.00 O ATOM 0 H TYR A 46 -2.354 -2.938 -8.292 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.936 -3.894 -5.813 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.375 -3.467 -5.720 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.633 -4.356 -7.208 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.810 -4.956 -3.966 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.517 -6.504 -6.917 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.004 -7.064 -2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.706 -8.618 -5.634 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.081 -9.767 -3.834 1.00 0.00 H new ATOM 722 N ASP A 47 -0.184 -6.106 -6.625 1.00 0.00 N ATOM 723 CA ASP A 47 0.429 -7.339 -7.197 1.00 0.00 C ATOM 724 C ASP A 47 -0.184 -8.576 -6.537 1.00 0.00 C ATOM 725 O ASP A 47 0.193 -8.960 -5.444 1.00 0.00 O ATOM 726 CB ASP A 47 1.918 -7.234 -6.871 1.00 0.00 C ATOM 727 CG ASP A 47 2.710 -8.149 -7.807 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.373 -9.319 -7.885 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.640 -7.663 -8.431 1.00 0.00 O ATOM 0 H ASP A 47 0.039 -5.929 -5.646 1.00 0.00 H new ATOM 0 HA ASP A 47 0.259 -7.430 -8.270 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.254 -6.203 -6.983 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.095 -7.516 -5.833 1.00 0.00 H new ATOM 734 N ASP A 48 -1.126 -9.203 -7.198 1.00 0.00 N ATOM 735 CA ASP A 48 -1.777 -10.422 -6.623 1.00 0.00 C ATOM 736 C ASP A 48 -0.814 -11.623 -6.613 1.00 0.00 C ATOM 737 O ASP A 48 -1.140 -12.676 -6.098 1.00 0.00 O ATOM 738 CB ASP A 48 -2.973 -10.705 -7.535 1.00 0.00 C ATOM 739 CG ASP A 48 -3.771 -11.890 -6.986 1.00 0.00 C ATOM 740 OD1 ASP A 48 -3.953 -11.949 -5.781 1.00 0.00 O ATOM 741 OD2 ASP A 48 -4.185 -12.719 -7.779 1.00 0.00 O ATOM 0 H ASP A 48 -1.474 -8.922 -8.115 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.074 -10.262 -5.587 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.611 -9.823 -7.599 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.628 -10.923 -8.546 1.00 0.00 H new ATOM 746 N ALA A 49 0.365 -11.475 -7.166 1.00 0.00 N ATOM 747 CA ALA A 49 1.343 -12.602 -7.178 1.00 0.00 C ATOM 748 C ALA A 49 2.224 -12.529 -5.931 1.00 0.00 C ATOM 749 O ALA A 49 2.708 -13.534 -5.442 1.00 0.00 O ATOM 750 CB ALA A 49 2.179 -12.391 -8.440 1.00 0.00 C ATOM 0 H ALA A 49 0.691 -10.617 -7.611 1.00 0.00 H new ATOM 0 HA ALA A 49 0.858 -13.578 -7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.924 -13.183 -8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.529 -12.414 -9.315 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.681 -11.425 -8.387 1.00 0.00 H new ATOM 756 N THR A 50 2.421 -11.346 -5.403 1.00 0.00 N ATOM 757 CA THR A 50 3.254 -11.197 -4.177 1.00 0.00 C ATOM 758 C THR A 50 2.489 -10.404 -3.111 1.00 0.00 C ATOM 759 O THR A 50 3.039 -10.044 -2.088 1.00 0.00 O ATOM 760 CB THR A 50 4.496 -10.428 -4.630 1.00 0.00 C ATOM 761 OG1 THR A 50 4.102 -9.182 -5.188 1.00 0.00 O ATOM 762 CG2 THR A 50 5.247 -11.245 -5.680 1.00 0.00 C ATOM 0 H THR A 50 2.038 -10.476 -5.772 1.00 0.00 H new ATOM 0 HA THR A 50 3.511 -12.159 -3.734 1.00 0.00 H new ATOM 0 HB THR A 50 5.148 -10.253 -3.775 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.897 -8.687 -5.477 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.132 -10.697 -6.003 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.548 -12.200 -5.250 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.597 -11.421 -6.537 1.00 0.00 H new ATOM 770 N LYS A 51 1.220 -10.120 -3.341 1.00 0.00 N ATOM 771 CA LYS A 51 0.416 -9.344 -2.343 1.00 0.00 C ATOM 772 C LYS A 51 1.117 -8.022 -2.012 1.00 0.00 C ATOM 773 O LYS A 51 1.160 -7.598 -0.872 1.00 0.00 O ATOM 774 CB LYS A 51 0.322 -10.236 -1.098 1.00 0.00 C ATOM 775 CG LYS A 51 -0.352 -11.562 -1.465 1.00 0.00 C ATOM 776 CD LYS A 51 -1.855 -11.340 -1.644 1.00 0.00 C ATOM 777 CE LYS A 51 -2.432 -12.438 -2.540 1.00 0.00 C ATOM 778 NZ LYS A 51 -2.904 -13.493 -1.601 1.00 0.00 N ATOM 0 H LYS A 51 0.711 -10.395 -4.181 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.573 -9.093 -2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.318 -10.422 -0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.248 -9.730 -0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.079 -11.959 -2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.174 -12.301 -0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.352 -11.349 -0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.038 -10.361 -2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.251 -12.059 -3.151 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.677 -12.827 -3.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.314 -14.281 -2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.102 -13.840 -1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.627 -13.096 -0.967 1.00 0.00 H new ATOM 792 N THR A 52 1.669 -7.375 -3.007 1.00 0.00 N ATOM 793 CA THR A 52 2.374 -6.077 -2.762 1.00 0.00 C ATOM 794 C THR A 52 1.877 -5.008 -3.741 1.00 0.00 C ATOM 795 O THR A 52 1.657 -5.278 -4.907 1.00 0.00 O ATOM 796 CB THR A 52 3.854 -6.378 -3.000 1.00 0.00 C ATOM 797 OG1 THR A 52 4.252 -7.464 -2.174 1.00 0.00 O ATOM 798 CG2 THR A 52 4.688 -5.142 -2.662 1.00 0.00 C ATOM 0 H THR A 52 1.663 -7.688 -3.978 1.00 0.00 H new ATOM 0 HA THR A 52 2.193 -5.693 -1.758 1.00 0.00 H new ATOM 0 HB THR A 52 4.010 -6.641 -4.046 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.777 -8.276 -2.450 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.743 -5.357 -2.832 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.380 -4.311 -3.297 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.536 -4.875 -1.616 1.00 0.00 H new ATOM 806 N PHE A 53 1.701 -3.794 -3.274 1.00 0.00 N ATOM 807 CA PHE A 53 1.219 -2.705 -4.176 1.00 0.00 C ATOM 808 C PHE A 53 2.420 -1.940 -4.762 1.00 0.00 C ATOM 809 O PHE A 53 3.548 -2.379 -4.637 1.00 0.00 O ATOM 810 CB PHE A 53 0.362 -1.801 -3.286 1.00 0.00 C ATOM 811 CG PHE A 53 -0.923 -2.513 -2.916 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.921 -3.484 -1.903 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.118 -2.201 -3.578 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.111 -4.138 -1.555 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.305 -2.857 -3.227 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.301 -3.823 -2.217 1.00 0.00 C ATOM 0 H PHE A 53 1.871 -3.513 -2.308 1.00 0.00 H new ATOM 0 HA PHE A 53 0.647 -3.083 -5.024 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.914 -1.535 -2.384 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.136 -0.871 -3.807 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.002 -3.728 -1.391 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.124 -1.455 -4.359 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.108 -4.885 -0.775 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.225 -2.616 -3.738 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.218 -4.326 -1.948 1.00 0.00 H new ATOM 826 N THR A 54 2.200 -0.802 -5.395 1.00 0.00 N ATOM 827 CA THR A 54 3.339 -0.031 -5.970 1.00 0.00 C ATOM 828 C THR A 54 2.889 1.410 -6.127 1.00 0.00 C ATOM 829 O THR A 54 2.198 1.753 -7.068 1.00 0.00 O ATOM 830 CB THR A 54 3.642 -0.654 -7.341 1.00 0.00 C ATOM 831 OG1 THR A 54 3.320 -2.039 -7.333 1.00 0.00 O ATOM 832 CG2 THR A 54 5.127 -0.481 -7.662 1.00 0.00 C ATOM 0 H THR A 54 1.280 -0.383 -5.533 1.00 0.00 H new ATOM 0 HA THR A 54 4.229 -0.058 -5.341 1.00 0.00 H new ATOM 0 HB THR A 54 3.039 -0.153 -8.099 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.021 -2.310 -8.226 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.343 -0.923 -8.635 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.373 0.581 -7.683 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.725 -0.977 -6.897 1.00 0.00 H new ATOM 840 N VAL A 55 3.250 2.247 -5.198 1.00 0.00 N ATOM 841 CA VAL A 55 2.811 3.667 -5.275 1.00 0.00 C ATOM 842 C VAL A 55 3.947 4.567 -5.770 1.00 0.00 C ATOM 843 O VAL A 55 4.991 4.681 -5.160 1.00 0.00 O ATOM 844 CB VAL A 55 2.330 4.053 -3.858 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.390 3.723 -2.806 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.019 5.553 -3.802 1.00 0.00 C ATOM 0 H VAL A 55 3.828 2.011 -4.391 1.00 0.00 H new ATOM 0 HA VAL A 55 2.002 3.797 -5.994 1.00 0.00 H new ATOM 0 HB VAL A 55 1.430 3.477 -3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.024 4.006 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.599 2.653 -2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.304 4.275 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.681 5.817 -2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.918 6.120 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.237 5.790 -4.523 1.00 0.00 H new ATOM 856 N THR A 56 3.718 5.214 -6.879 1.00 0.00 N ATOM 857 CA THR A 56 4.733 6.134 -7.454 1.00 0.00 C ATOM 858 C THR A 56 4.338 7.574 -7.085 1.00 0.00 C ATOM 859 O THR A 56 3.254 7.812 -6.588 1.00 0.00 O ATOM 860 CB THR A 56 4.660 5.853 -8.975 1.00 0.00 C ATOM 861 OG1 THR A 56 5.559 4.801 -9.292 1.00 0.00 O ATOM 862 CG2 THR A 56 5.026 7.090 -9.808 1.00 0.00 C ATOM 0 H THR A 56 2.855 5.141 -7.418 1.00 0.00 H new ATOM 0 HA THR A 56 5.750 5.994 -7.088 1.00 0.00 H new ATOM 0 HB THR A 56 3.633 5.578 -9.217 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.996 4.991 -10.148 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.961 6.847 -10.869 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.334 7.901 -9.579 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.043 7.402 -9.569 1.00 0.00 H new ATOM 870 N GLU A 57 5.207 8.524 -7.321 1.00 0.00 N ATOM 871 CA GLU A 57 4.878 9.940 -6.980 1.00 0.00 C ATOM 872 C GLU A 57 4.809 10.791 -8.251 1.00 0.00 C ATOM 873 O GLU A 57 5.385 10.383 -9.246 1.00 0.00 O ATOM 874 CB GLU A 57 6.020 10.410 -6.081 1.00 0.00 C ATOM 875 CG GLU A 57 5.668 11.773 -5.482 1.00 0.00 C ATOM 876 CD GLU A 57 6.418 11.962 -4.162 1.00 0.00 C ATOM 877 OE1 GLU A 57 6.416 11.039 -3.365 1.00 0.00 O ATOM 878 OE2 GLU A 57 6.982 13.027 -3.972 1.00 0.00 O ATOM 879 OXT GLU A 57 4.182 11.836 -8.207 1.00 0.00 O ATOM 0 H GLU A 57 6.128 8.380 -7.734 1.00 0.00 H new ATOM 0 HA GLU A 57 3.910 10.029 -6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.193 9.685 -5.286 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.944 10.480 -6.655 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.933 12.568 -6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.593 11.841 -5.314 1.00 0.00 H new