USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 428 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 ASN : amide:sc= -1.09 K(o=-13,f=-19!) USER MOD Set 1.2: A 26 GLN : amide:sc= -4.01! C(o=-13!,f=-12!) USER MOD Set 1.3: A 55 GLN : amide:sc= -7.41! C(o=-13!,f=-12!) USER MOD Set 2.1: A 40 GLN : amide:sc= -0.0623 K(o=0.019,f=-1.7) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.081 K(o=0.019,f=-1.7!) USER MOD Set 3.1: A 21 ASN :FLIP amide:sc= -1.45 F(o=-6.8!,f=-2.7) USER MOD Set 3.2: A 52 ASN : amide:sc= -1.2 K(o=-2.7,f=-9.9!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc=-0.00403 K(o=-0.004,f=-1.3) USER MOD Single : A 7 LYS NZ :NH3+ -155:sc= -2.19! (180deg=-2.75!) USER MOD Single : A 17 MET CE :methyl 169:sc= -9.94! (180deg=-10.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.555 X(o=-0.55,f=-0.5) USER MOD Single : A 33 SER OG : rot 63:sc= 0.241 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -83:sc= -1.15 USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= 0.224 (180deg=0.0215) USER MOD Single : A 50 LYS NZ :NH3+ 173:sc= -1.19 (180deg=-1.54) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 -0.546 -13.098 9.160 1.00 0.00 N ATOM 46 CA LYS A 4 0.578 -12.614 8.359 1.00 0.00 C ATOM 47 C LYS A 4 0.245 -11.258 7.751 1.00 0.00 C ATOM 48 O LYS A 4 1.015 -10.712 6.957 1.00 0.00 O ATOM 49 CB LYS A 4 0.913 -13.606 7.240 1.00 0.00 C ATOM 50 CG LYS A 4 1.256 -14.977 7.841 1.00 0.00 C ATOM 51 CD LYS A 4 1.713 -15.930 6.728 1.00 0.00 C ATOM 52 CE LYS A 4 1.938 -17.331 7.308 1.00 0.00 C ATOM 53 NZ LYS A 4 2.421 -18.240 6.230 1.00 0.00 N ATOM 0 HA LYS A 4 1.443 -12.515 9.014 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.067 -13.699 6.560 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.754 -13.236 6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.043 -14.871 8.588 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.386 -15.389 8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.963 -15.969 5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.633 -15.561 6.275 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.667 -17.289 8.117 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.010 -17.714 7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.574 -19.191 6.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.711 -18.288 5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.315 -17.876 5.844 1.00 0.00 H new ATOM 67 N PHE A 5 -0.917 -10.736 8.124 1.00 0.00 N ATOM 68 CA PHE A 5 -1.384 -9.460 7.613 1.00 0.00 C ATOM 69 C PHE A 5 -0.430 -8.327 7.922 1.00 0.00 C ATOM 70 O PHE A 5 0.012 -7.627 7.022 1.00 0.00 O ATOM 71 CB PHE A 5 -2.695 -9.103 8.297 1.00 0.00 C ATOM 72 CG PHE A 5 -3.869 -9.713 7.584 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.870 -11.077 7.262 1.00 0.00 C ATOM 74 CD2 PHE A 5 -4.966 -8.908 7.256 1.00 0.00 C ATOM 75 CE1 PHE A 5 -4.979 -11.629 6.604 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.067 -9.457 6.603 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.076 -10.814 6.275 1.00 0.00 C ATOM 0 H PHE A 5 -1.555 -11.183 8.783 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.481 -9.572 6.533 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.674 -9.450 9.330 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.808 -8.019 8.327 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.024 -11.698 7.518 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.959 -7.858 7.510 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.990 -12.679 6.350 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.912 -8.834 6.351 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.929 -11.239 5.767 1.00 0.00 H new ATOM 87 N ASN A 6 -0.156 -8.133 9.208 1.00 0.00 N ATOM 88 CA ASN A 6 0.703 -7.041 9.632 1.00 0.00 C ATOM 89 C ASN A 6 2.084 -7.144 9.025 1.00 0.00 C ATOM 90 O ASN A 6 2.594 -6.165 8.504 1.00 0.00 O ATOM 91 CB ASN A 6 0.828 -7.026 11.150 1.00 0.00 C ATOM 92 CG ASN A 6 -0.516 -6.700 11.807 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.457 -6.266 11.140 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.660 -6.882 13.090 1.00 0.00 N ATOM 0 H ASN A 6 -0.514 -8.714 9.966 1.00 0.00 H new ATOM 0 HA ASN A 6 0.242 -6.116 9.286 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.182 -7.996 11.499 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.572 -6.288 11.450 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.550 -6.665 13.539 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.117 -7.241 13.645 1.00 0.00 H new ATOM 101 N LYS A 7 2.674 -8.334 9.080 1.00 0.00 N ATOM 102 CA LYS A 7 4.003 -8.537 8.530 1.00 0.00 C ATOM 103 C LYS A 7 4.020 -8.203 7.047 1.00 0.00 C ATOM 104 O LYS A 7 4.959 -7.575 6.559 1.00 0.00 O ATOM 105 CB LYS A 7 4.447 -9.980 8.768 1.00 0.00 C ATOM 106 CG LYS A 7 5.877 -10.207 8.238 1.00 0.00 C ATOM 107 CD LYS A 7 6.907 -9.536 9.167 1.00 0.00 C ATOM 108 CE LYS A 7 7.367 -8.192 8.580 1.00 0.00 C ATOM 109 NZ LYS A 7 7.950 -8.405 7.224 1.00 0.00 N ATOM 0 H LYS A 7 2.254 -9.165 9.497 1.00 0.00 H new ATOM 0 HA LYS A 7 4.703 -7.870 9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.409 -10.206 9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.758 -10.664 8.273 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.081 -11.276 8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.967 -9.800 7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.468 -9.378 10.152 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.766 -10.193 9.302 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.524 -7.504 8.519 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.107 -7.733 9.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.617 -7.637 7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.451 -9.316 7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.188 -8.411 6.516 1.00 0.00 H new ATOM 123 N GLU A 8 2.965 -8.602 6.345 1.00 0.00 N ATOM 124 CA GLU A 8 2.859 -8.318 4.923 1.00 0.00 C ATOM 125 C GLU A 8 2.557 -6.837 4.716 1.00 0.00 C ATOM 126 O GLU A 8 3.067 -6.198 3.794 1.00 0.00 O ATOM 127 CB GLU A 8 1.750 -9.192 4.336 1.00 0.00 C ATOM 128 CG GLU A 8 1.650 -8.974 2.827 1.00 0.00 C ATOM 129 CD GLU A 8 2.999 -9.239 2.150 1.00 0.00 C ATOM 130 OE1 GLU A 8 3.384 -10.393 2.069 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.625 -8.280 1.724 1.00 0.00 O ATOM 0 H GLU A 8 2.178 -9.119 6.736 1.00 0.00 H new ATOM 0 HA GLU A 8 3.798 -8.543 4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.954 -10.242 4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.798 -8.951 4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.892 -9.636 2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.330 -7.952 2.623 1.00 0.00 H new ATOM 138 N ARG A 9 1.727 -6.316 5.607 1.00 0.00 N ATOM 139 CA ARG A 9 1.318 -4.930 5.598 1.00 0.00 C ATOM 140 C ARG A 9 2.475 -4.002 5.926 1.00 0.00 C ATOM 141 O ARG A 9 2.507 -2.902 5.424 1.00 0.00 O ATOM 142 CB ARG A 9 0.147 -4.719 6.566 1.00 0.00 C ATOM 143 CG ARG A 9 -1.132 -5.260 5.906 1.00 0.00 C ATOM 144 CD ARG A 9 -2.194 -5.618 6.952 1.00 0.00 C ATOM 145 NE ARG A 9 -3.278 -4.638 6.939 1.00 0.00 N ATOM 146 CZ ARG A 9 -3.102 -3.404 7.397 1.00 0.00 C ATOM 147 NH1 ARG A 9 -2.732 -3.212 8.632 1.00 0.00 N ATOM 148 NH2 ARG A 9 -3.303 -2.385 6.613 1.00 0.00 N ATOM 0 H ARG A 9 1.315 -6.858 6.367 1.00 0.00 H new ATOM 0 HA ARG A 9 0.986 -4.681 4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.335 -5.235 7.507 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.034 -3.660 6.800 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.532 -4.514 5.220 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.892 -6.142 5.313 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.592 -6.612 6.749 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.740 -5.653 7.942 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.190 -4.908 6.570 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.577 -4.010 9.248 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.597 -2.264 8.982 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.596 -2.534 5.647 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.168 -1.437 6.964 1.00 0.00 H new ATOM 162 N VAL A 10 3.413 -4.441 6.772 1.00 0.00 N ATOM 163 CA VAL A 10 4.557 -3.589 7.135 1.00 0.00 C ATOM 164 C VAL A 10 5.357 -3.312 5.891 1.00 0.00 C ATOM 165 O VAL A 10 5.745 -2.183 5.585 1.00 0.00 O ATOM 166 CB VAL A 10 5.535 -4.263 8.113 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.590 -3.228 8.555 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.815 -4.833 9.336 1.00 0.00 C ATOM 0 H VAL A 10 3.407 -5.361 7.212 1.00 0.00 H new ATOM 0 HA VAL A 10 4.140 -2.698 7.603 1.00 0.00 H new ATOM 0 HB VAL A 10 6.014 -5.098 7.602 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.289 -3.695 9.249 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.133 -2.866 7.682 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.095 -2.391 9.047 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.541 -5.300 10.001 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.304 -4.029 9.865 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.086 -5.577 9.015 1.00 0.00 H new ATOM 178 N ILE A 11 5.606 -4.395 5.196 1.00 0.00 N ATOM 179 CA ILE A 11 6.361 -4.366 3.982 1.00 0.00 C ATOM 180 C ILE A 11 5.650 -3.486 2.975 1.00 0.00 C ATOM 181 O ILE A 11 6.249 -2.621 2.341 1.00 0.00 O ATOM 182 CB ILE A 11 6.448 -5.796 3.453 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.137 -6.694 4.498 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.227 -5.821 2.138 1.00 0.00 C ATOM 185 CD1 ILE A 11 6.932 -8.165 4.117 1.00 0.00 C ATOM 0 H ILE A 11 5.285 -5.325 5.465 1.00 0.00 H new ATOM 0 HA ILE A 11 7.361 -3.967 4.154 1.00 0.00 H new ATOM 0 HB ILE A 11 5.442 -6.173 3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.201 -6.464 4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.724 -6.502 5.488 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.284 -6.845 1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.719 -5.197 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.234 -5.439 2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.419 -8.803 4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.866 -8.389 4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.366 -8.350 3.134 1.00 0.00 H new ATOM 197 N ALA A 12 4.360 -3.747 2.845 1.00 0.00 N ATOM 198 CA ALA A 12 3.513 -3.035 1.914 1.00 0.00 C ATOM 199 C ALA A 12 3.250 -1.597 2.322 1.00 0.00 C ATOM 200 O ALA A 12 3.439 -0.701 1.520 1.00 0.00 O ATOM 201 CB ALA A 12 2.204 -3.781 1.857 1.00 0.00 C ATOM 0 H ALA A 12 3.873 -4.462 3.386 1.00 0.00 H new ATOM 0 HA ALA A 12 4.016 -2.991 0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.529 -3.279 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.381 -4.801 1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.754 -3.803 2.850 1.00 0.00 H new ATOM 207 N ILE A 13 2.856 -1.366 3.569 1.00 0.00 N ATOM 208 CA ILE A 13 2.599 -0.014 4.024 1.00 0.00 C ATOM 209 C ILE A 13 3.870 0.789 3.868 1.00 0.00 C ATOM 210 O ILE A 13 3.845 1.943 3.477 1.00 0.00 O ATOM 211 CB ILE A 13 2.138 -0.014 5.494 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.614 1.390 5.851 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.307 -0.411 6.417 1.00 0.00 C ATOM 214 CD1 ILE A 13 2.058 1.801 7.256 1.00 0.00 C ATOM 0 H ILE A 13 2.710 -2.091 4.272 1.00 0.00 H new ATOM 0 HA ILE A 13 1.802 0.431 3.429 1.00 0.00 H new ATOM 0 HB ILE A 13 1.339 -0.742 5.632 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.980 2.114 5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.526 1.402 5.792 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.970 -0.408 7.453 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.657 -1.409 6.152 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.123 0.302 6.299 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.674 2.796 7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.670 1.088 7.983 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.147 1.812 7.305 1.00 0.00 H new ATOM 226 N GLY A 14 4.983 0.131 4.138 1.00 0.00 N ATOM 227 CA GLY A 14 6.272 0.743 4.005 1.00 0.00 C ATOM 228 C GLY A 14 6.501 1.097 2.538 1.00 0.00 C ATOM 229 O GLY A 14 7.050 2.155 2.226 1.00 0.00 O ATOM 0 H GLY A 14 5.008 -0.839 4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.329 1.639 4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.050 0.064 4.355 1.00 0.00 H new ATOM 233 N GLU A 15 6.044 0.207 1.636 1.00 0.00 N ATOM 234 CA GLU A 15 6.179 0.446 0.202 1.00 0.00 C ATOM 235 C GLU A 15 5.234 1.556 -0.257 1.00 0.00 C ATOM 236 O GLU A 15 5.600 2.424 -1.050 1.00 0.00 O ATOM 237 CB GLU A 15 5.780 -0.812 -0.579 1.00 0.00 C ATOM 238 CG GLU A 15 6.757 -1.967 -0.337 1.00 0.00 C ATOM 239 CD GLU A 15 7.515 -2.286 -1.628 1.00 0.00 C ATOM 240 OE1 GLU A 15 8.479 -1.593 -1.914 1.00 0.00 O ATOM 241 OE2 GLU A 15 7.113 -3.207 -2.321 1.00 0.00 O ATOM 0 H GLU A 15 5.585 -0.671 1.879 1.00 0.00 H new ATOM 0 HA GLU A 15 7.217 0.722 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.776 -1.118 -0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.745 -0.583 -1.644 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.460 -1.701 0.452 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.214 -2.849 0.004 1.00 0.00 H new ATOM 248 N ILE A 16 3.999 1.467 0.227 1.00 0.00 N ATOM 249 CA ILE A 16 2.936 2.392 -0.130 1.00 0.00 C ATOM 250 C ILE A 16 3.202 3.793 0.429 1.00 0.00 C ATOM 251 O ILE A 16 3.015 4.801 -0.250 1.00 0.00 O ATOM 252 CB ILE A 16 1.607 1.860 0.425 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.477 0.350 0.062 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.437 2.709 -0.092 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.316 -0.011 -0.864 1.00 0.00 C ATOM 0 H ILE A 16 3.708 0.743 0.884 1.00 0.00 H new ATOM 0 HA ILE A 16 2.892 2.468 -1.216 1.00 0.00 H new ATOM 0 HB ILE A 16 1.584 1.941 1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.406 0.027 -0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.372 -0.219 0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.499 2.321 0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.568 3.743 0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.410 2.667 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.320 -1.085 -1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.626 0.272 -0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.425 0.522 -1.809 1.00 0.00 H new ATOM 267 N MET A 17 3.614 3.828 1.689 1.00 0.00 N ATOM 268 CA MET A 17 3.897 5.077 2.390 1.00 0.00 C ATOM 269 C MET A 17 5.130 5.782 1.810 1.00 0.00 C ATOM 270 O MET A 17 5.278 6.998 1.950 1.00 0.00 O ATOM 271 CB MET A 17 4.093 4.786 3.887 1.00 0.00 C ATOM 272 CG MET A 17 2.756 4.348 4.512 1.00 0.00 C ATOM 273 SD MET A 17 1.589 5.726 4.588 1.00 0.00 S ATOM 274 CE MET A 17 0.073 4.722 4.578 1.00 0.00 C ATOM 0 H MET A 17 3.762 2.993 2.255 1.00 0.00 H new ATOM 0 HA MET A 17 3.050 5.750 2.257 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.841 4.004 4.020 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.468 5.675 4.394 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.326 3.536 3.926 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.930 3.960 5.515 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.783 5.353 4.815 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.064 4.280 3.591 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.156 3.930 5.322 1.00 0.00 H new ATOM 284 N ARG A 18 6.006 5.012 1.152 1.00 0.00 N ATOM 285 CA ARG A 18 7.220 5.561 0.545 1.00 0.00 C ATOM 286 C ARG A 18 6.861 6.519 -0.585 1.00 0.00 C ATOM 287 O ARG A 18 7.565 7.497 -0.843 1.00 0.00 O ATOM 288 CB ARG A 18 8.067 4.406 -0.006 1.00 0.00 C ATOM 289 CG ARG A 18 9.362 4.939 -0.634 1.00 0.00 C ATOM 290 CD ARG A 18 10.110 3.785 -1.301 1.00 0.00 C ATOM 291 NE ARG A 18 11.399 4.243 -1.815 1.00 0.00 N ATOM 292 CZ ARG A 18 11.492 4.884 -2.974 1.00 0.00 C ATOM 293 NH1 ARG A 18 11.196 6.151 -3.044 1.00 0.00 N ATOM 294 NH2 ARG A 18 11.879 4.246 -4.041 1.00 0.00 N ATOM 0 H ARG A 18 5.894 4.006 1.028 1.00 0.00 H new ATOM 0 HA ARG A 18 7.784 6.110 1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.306 3.708 0.796 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.496 3.852 -0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.133 5.712 -1.368 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.988 5.400 0.130 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.263 2.979 -0.583 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.511 3.377 -2.115 1.00 0.00 H new ATOM 0 HE ARG A 18 12.244 4.067 -1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.893 6.651 -2.208 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.268 6.643 -3.935 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.111 3.254 -3.986 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.951 4.738 -4.932 1.00 0.00 H new ATOM 308 N LEU A 19 5.771 6.188 -1.263 1.00 0.00 N ATOM 309 CA LEU A 19 5.275 6.948 -2.400 1.00 0.00 C ATOM 310 C LEU A 19 5.174 8.450 -2.095 1.00 0.00 C ATOM 311 O LEU A 19 4.321 8.876 -1.314 1.00 0.00 O ATOM 312 CB LEU A 19 3.920 6.367 -2.794 1.00 0.00 C ATOM 313 CG LEU A 19 4.072 4.840 -2.941 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.734 4.183 -3.256 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.090 4.541 -4.043 1.00 0.00 C ATOM 0 H LEU A 19 5.200 5.374 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 19 5.978 6.862 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.171 6.603 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.576 6.806 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 19 4.426 4.427 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.872 3.106 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.030 4.387 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.342 4.585 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.202 3.462 -4.152 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.743 4.967 -4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.052 4.981 -3.779 1.00 0.00 H new ATOM 327 N PRO A 20 6.053 9.248 -2.682 1.00 0.00 N ATOM 328 CA PRO A 20 6.092 10.725 -2.457 1.00 0.00 C ATOM 329 C PRO A 20 4.998 11.500 -3.194 1.00 0.00 C ATOM 330 O PRO A 20 4.808 12.688 -2.923 1.00 0.00 O ATOM 331 CB PRO A 20 7.465 11.165 -3.001 1.00 0.00 C ATOM 332 CG PRO A 20 8.143 9.946 -3.542 1.00 0.00 C ATOM 333 CD PRO A 20 7.106 8.832 -3.622 1.00 0.00 C ATOM 0 HA PRO A 20 5.931 10.936 -1.400 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.346 11.916 -3.782 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.064 11.618 -2.211 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.563 10.148 -4.527 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.971 9.651 -2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.716 8.724 -4.634 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.533 7.870 -3.340 1.00 0.00 H new ATOM 341 N ASN A 21 4.308 10.861 -4.148 1.00 0.00 N ATOM 342 CA ASN A 21 3.283 11.584 -4.915 1.00 0.00 C ATOM 343 C ASN A 21 1.909 11.469 -4.272 1.00 0.00 C ATOM 344 O ASN A 21 1.347 12.470 -3.822 1.00 0.00 O ATOM 345 CB ASN A 21 3.245 11.090 -6.373 1.00 0.00 C ATOM 346 CG ASN A 21 4.638 11.223 -6.990 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.117 10.258 -7.714 1.00 0.00 O flip ATOM 348 ND2 ASN A 21 5.305 12.242 -6.811 1.00 0.00 N flip ATOM 0 H ASN A 21 4.432 9.881 -4.402 1.00 0.00 H new ATOM 0 HA ASN A 21 3.557 12.639 -4.912 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.917 10.051 -6.408 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.524 11.672 -6.947 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.932 13.002 -6.243 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.231 12.326 -7.231 1.00 0.00 H new ATOM 355 N LEU A 22 1.380 10.252 -4.245 1.00 0.00 N ATOM 356 CA LEU A 22 0.053 9.975 -3.678 1.00 0.00 C ATOM 357 C LEU A 22 -0.259 10.821 -2.459 1.00 0.00 C ATOM 358 O LEU A 22 0.622 11.116 -1.647 1.00 0.00 O ATOM 359 CB LEU A 22 -0.011 8.518 -3.247 1.00 0.00 C ATOM 360 CG LEU A 22 0.148 7.621 -4.462 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.702 6.280 -4.011 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.210 7.423 -5.120 1.00 0.00 C ATOM 0 H LEU A 22 1.852 9.426 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.674 10.210 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.775 8.308 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.962 8.315 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 22 0.831 8.077 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.821 5.626 -4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.670 6.429 -3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.013 5.822 -3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.101 6.780 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.894 6.958 -4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.609 8.389 -5.429 1.00 0.00 H new ATOM 374 N ASN A 23 -1.539 11.143 -2.301 1.00 0.00 N ATOM 375 CA ASN A 23 -1.972 11.889 -1.135 1.00 0.00 C ATOM 376 C ASN A 23 -2.195 10.880 -0.035 1.00 0.00 C ATOM 377 O ASN A 23 -2.319 9.684 -0.313 1.00 0.00 O ATOM 378 CB ASN A 23 -3.248 12.696 -1.421 1.00 0.00 C ATOM 379 CG ASN A 23 -4.234 11.877 -2.246 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.725 10.850 -1.785 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.550 12.273 -3.448 1.00 0.00 N ATOM 0 H ASN A 23 -2.281 10.901 -2.957 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.217 12.620 -0.845 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.713 12.994 -0.481 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.993 13.611 -1.955 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.207 11.729 -4.008 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.140 13.126 -3.828 1.00 0.00 H new ATOM 388 N SER A 24 -2.215 11.334 1.202 1.00 0.00 N ATOM 389 CA SER A 24 -2.384 10.416 2.312 1.00 0.00 C ATOM 390 C SER A 24 -3.579 9.505 2.101 1.00 0.00 C ATOM 391 O SER A 24 -3.534 8.355 2.468 1.00 0.00 O ATOM 392 CB SER A 24 -2.559 11.170 3.616 1.00 0.00 C ATOM 393 OG SER A 24 -3.690 12.029 3.527 1.00 0.00 O ATOM 0 H SER A 24 -2.118 12.315 1.462 1.00 0.00 H new ATOM 0 HA SER A 24 -1.481 9.808 2.363 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.688 10.467 4.439 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.664 11.753 3.833 1.00 0.00 H new ATOM 0 HG SER A 24 -3.801 12.513 4.372 1.00 0.00 H new ATOM 399 N LEU A 25 -4.639 10.018 1.504 1.00 0.00 N ATOM 400 CA LEU A 25 -5.827 9.210 1.277 1.00 0.00 C ATOM 401 C LEU A 25 -5.530 8.045 0.377 1.00 0.00 C ATOM 402 O LEU A 25 -5.884 6.928 0.706 1.00 0.00 O ATOM 403 CB LEU A 25 -6.907 10.044 0.619 1.00 0.00 C ATOM 404 CG LEU A 25 -7.177 11.325 1.417 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.171 12.429 1.046 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.574 11.804 1.061 1.00 0.00 C ATOM 0 H LEU A 25 -4.704 10.980 1.170 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.161 8.844 2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.605 10.301 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.824 9.461 0.540 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.081 11.114 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.385 13.326 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.159 12.088 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.255 12.656 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.798 12.716 1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.628 12.005 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.300 11.034 1.322 1.00 0.00 H new ATOM 418 N GLN A 26 -4.867 8.304 -0.742 1.00 0.00 N ATOM 419 CA GLN A 26 -4.516 7.243 -1.655 1.00 0.00 C ATOM 420 C GLN A 26 -3.554 6.311 -0.978 1.00 0.00 C ATOM 421 O GLN A 26 -3.710 5.101 -1.007 1.00 0.00 O ATOM 422 CB GLN A 26 -3.867 7.825 -2.873 1.00 0.00 C ATOM 423 CG GLN A 26 -4.948 8.504 -3.709 1.00 0.00 C ATOM 424 CD GLN A 26 -4.358 9.504 -4.682 1.00 0.00 C ATOM 425 OE1 GLN A 26 -3.266 10.033 -4.471 1.00 0.00 O ATOM 426 NE2 GLN A 26 -5.034 9.796 -5.749 1.00 0.00 N ATOM 0 H GLN A 26 -4.567 9.235 -1.031 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.414 6.699 -1.948 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.099 8.544 -2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.374 7.044 -3.451 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.510 7.749 -4.259 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.654 9.010 -3.050 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.938 9.354 -5.917 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.662 10.468 -6.420 1.00 0.00 H new ATOM 435 N VAL A 27 -2.588 6.925 -0.320 1.00 0.00 N ATOM 436 CA VAL A 27 -1.580 6.209 0.423 1.00 0.00 C ATOM 437 C VAL A 27 -2.269 5.329 1.455 1.00 0.00 C ATOM 438 O VAL A 27 -1.925 4.164 1.640 1.00 0.00 O ATOM 439 CB VAL A 27 -0.690 7.270 1.105 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.120 6.688 2.252 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.271 7.881 0.081 1.00 0.00 C ATOM 0 H VAL A 27 -2.484 7.939 -0.289 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.972 5.569 -0.217 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.354 8.034 1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.730 7.472 2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.555 6.279 3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.767 5.895 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.896 8.629 0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.903 7.098 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.301 8.352 -0.719 1.00 0.00 H new ATOM 451 N VAL A 28 -3.261 5.915 2.095 1.00 0.00 N ATOM 452 CA VAL A 28 -4.060 5.221 3.096 1.00 0.00 C ATOM 453 C VAL A 28 -4.998 4.220 2.454 1.00 0.00 C ATOM 454 O VAL A 28 -5.274 3.155 3.005 1.00 0.00 O ATOM 455 CB VAL A 28 -4.771 6.206 4.002 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.554 5.434 5.069 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.691 7.040 4.691 1.00 0.00 C ATOM 0 H VAL A 28 -3.539 6.884 1.939 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.390 4.643 3.733 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.458 6.834 3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.068 6.138 5.724 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.286 4.787 4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.866 4.827 5.657 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.160 7.765 5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.040 6.385 5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.102 7.565 3.939 1.00 0.00 H new ATOM 467 N ALA A 29 -5.480 4.591 1.281 1.00 0.00 N ATOM 468 CA ALA A 29 -6.387 3.766 0.514 1.00 0.00 C ATOM 469 C ALA A 29 -5.756 2.424 0.333 1.00 0.00 C ATOM 470 O ALA A 29 -6.401 1.379 0.416 1.00 0.00 O ATOM 471 CB ALA A 29 -6.550 4.391 -0.860 1.00 0.00 C ATOM 0 H ALA A 29 -5.250 5.479 0.834 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.349 3.680 1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.231 3.785 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.956 5.397 -0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.580 4.441 -1.355 1.00 0.00 H new ATOM 477 N PHE A 30 -4.464 2.487 0.107 1.00 0.00 N ATOM 478 CA PHE A 30 -3.681 1.329 -0.062 1.00 0.00 C ATOM 479 C PHE A 30 -3.570 0.591 1.230 1.00 0.00 C ATOM 480 O PHE A 30 -3.665 -0.630 1.228 1.00 0.00 O ATOM 481 CB PHE A 30 -2.329 1.746 -0.526 1.00 0.00 C ATOM 482 CG PHE A 30 -2.379 1.914 -2.001 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.526 0.804 -2.823 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.308 3.186 -2.539 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.617 0.976 -4.196 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.397 3.370 -3.895 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.561 2.264 -4.742 1.00 0.00 C ATOM 0 H PHE A 30 -3.942 3.360 0.038 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.144 0.668 -0.795 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.033 2.679 -0.046 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.585 0.997 -0.253 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.569 -0.187 -2.395 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.182 4.039 -1.888 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.731 0.118 -4.843 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.341 4.365 -4.310 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.644 2.405 -5.810 1.00 0.00 H new ATOM 497 N ILE A 31 -3.413 1.330 2.345 1.00 0.00 N ATOM 498 CA ILE A 31 -3.333 0.650 3.634 1.00 0.00 C ATOM 499 C ILE A 31 -4.591 -0.190 3.758 1.00 0.00 C ATOM 500 O ILE A 31 -4.575 -1.315 4.264 1.00 0.00 O ATOM 501 CB ILE A 31 -3.327 1.618 4.826 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.167 2.600 4.748 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.189 0.815 6.131 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.341 3.630 5.873 1.00 0.00 C ATOM 0 H ILE A 31 -3.343 2.347 2.375 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.406 0.078 3.661 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.262 2.177 4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.217 2.077 4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.151 3.095 3.777 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.184 1.499 6.980 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.028 0.126 6.225 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.256 0.251 6.114 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.521 4.347 5.840 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.287 4.155 5.743 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.338 3.120 6.837 1.00 0.00 H new ATOM 516 N ASN A 32 -5.684 0.397 3.264 1.00 0.00 N ATOM 517 CA ASN A 32 -6.981 -0.253 3.286 1.00 0.00 C ATOM 518 C ASN A 32 -7.000 -1.478 2.384 1.00 0.00 C ATOM 519 O ASN A 32 -7.581 -2.501 2.733 1.00 0.00 O ATOM 520 CB ASN A 32 -8.050 0.736 2.817 1.00 0.00 C ATOM 521 CG ASN A 32 -9.368 0.472 3.537 1.00 0.00 C ATOM 522 OD1 ASN A 32 -10.123 -0.417 3.150 1.00 0.00 O ATOM 523 ND2 ASN A 32 -9.688 1.196 4.574 1.00 0.00 N ATOM 0 H ASN A 32 -5.688 1.326 2.843 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.185 -0.576 4.307 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.720 1.757 3.010 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.192 0.645 1.740 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.566 1.024 5.065 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.060 1.934 4.894 1.00 0.00 H new ATOM 530 N SER A 33 -6.370 -1.369 1.222 1.00 0.00 N ATOM 531 CA SER A 33 -6.336 -2.475 0.289 1.00 0.00 C ATOM 532 C SER A 33 -5.567 -3.657 0.878 1.00 0.00 C ATOM 533 O SER A 33 -5.912 -4.813 0.632 1.00 0.00 O ATOM 534 CB SER A 33 -5.695 -2.022 -1.011 1.00 0.00 C ATOM 535 OG SER A 33 -6.300 -0.810 -1.442 1.00 0.00 O ATOM 0 H SER A 33 -5.881 -0.531 0.909 1.00 0.00 H new ATOM 0 HA SER A 33 -7.357 -2.802 0.092 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.624 -1.876 -0.869 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.813 -2.791 -1.774 1.00 0.00 H new ATOM 0 HG SER A 33 -6.129 -0.106 -0.782 1.00 0.00 H new ATOM 541 N LEU A 34 -4.513 -3.356 1.646 1.00 0.00 N ATOM 542 CA LEU A 34 -3.690 -4.422 2.258 1.00 0.00 C ATOM 543 C LEU A 34 -4.542 -5.312 3.159 1.00 0.00 C ATOM 544 O LEU A 34 -4.466 -6.533 3.090 1.00 0.00 O ATOM 545 CB LEU A 34 -2.556 -3.862 3.143 1.00 0.00 C ATOM 546 CG LEU A 34 -1.906 -2.608 2.552 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.651 -2.248 3.352 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.516 -2.832 1.094 1.00 0.00 C ATOM 0 H LEU A 34 -4.209 -2.406 1.859 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.267 -4.979 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.954 -3.628 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.795 -4.630 3.280 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.630 -1.795 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.192 -1.355 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.923 -2.057 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.058 -3.075 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.056 -1.927 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.807 -3.657 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.406 -3.072 0.512 1.00 0.00 H new ATOM 560 N ARG A 35 -5.354 -4.686 4.005 1.00 0.00 N ATOM 561 CA ARG A 35 -6.225 -5.434 4.913 1.00 0.00 C ATOM 562 C ARG A 35 -7.363 -6.073 4.143 1.00 0.00 C ATOM 563 O ARG A 35 -7.786 -7.189 4.451 1.00 0.00 O ATOM 564 CB ARG A 35 -6.749 -4.540 6.039 1.00 0.00 C ATOM 565 CG ARG A 35 -7.535 -3.349 5.481 1.00 0.00 C ATOM 566 CD ARG A 35 -7.985 -2.441 6.629 1.00 0.00 C ATOM 567 NE ARG A 35 -8.841 -1.372 6.120 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.164 -1.444 6.205 1.00 0.00 C ATOM 569 NH1 ARG A 35 -10.839 -2.108 5.313 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.786 -0.846 7.180 1.00 0.00 N ATOM 0 H ARG A 35 -5.429 -3.672 4.083 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.638 -6.227 5.376 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.389 -5.123 6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.914 -4.179 6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.915 -2.787 4.783 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.402 -3.703 4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.525 -3.025 7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.115 -2.014 7.127 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.413 -0.552 5.690 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.352 -2.574 4.547 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.855 -2.163 5.379 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.257 -0.323 7.878 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.802 -0.901 7.246 1.00 0.00 H new ATOM 584 N ASP A 36 -7.821 -5.371 3.111 1.00 0.00 N ATOM 585 CA ASP A 36 -8.874 -5.881 2.256 1.00 0.00 C ATOM 586 C ASP A 36 -8.336 -7.091 1.510 1.00 0.00 C ATOM 587 O ASP A 36 -9.099 -7.925 1.018 1.00 0.00 O ATOM 588 CB ASP A 36 -9.312 -4.799 1.252 1.00 0.00 C ATOM 589 CG ASP A 36 -9.988 -3.612 1.954 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.383 -3.748 3.103 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.094 -2.572 1.325 1.00 0.00 O ATOM 0 H ASP A 36 -7.476 -4.447 2.851 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.739 -6.162 2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.444 -4.446 0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.000 -5.233 0.527 1.00 0.00 H new ATOM 596 N ASP A 37 -7.000 -7.162 1.436 1.00 0.00 N ATOM 597 CA ASP A 37 -6.327 -8.257 0.743 1.00 0.00 C ATOM 598 C ASP A 37 -4.801 -8.187 0.940 1.00 0.00 C ATOM 599 O ASP A 37 -4.107 -7.484 0.197 1.00 0.00 O ATOM 600 CB ASP A 37 -6.653 -8.185 -0.756 1.00 0.00 C ATOM 601 CG ASP A 37 -6.350 -9.522 -1.443 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.328 -10.117 -1.132 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.143 -9.930 -2.273 1.00 0.00 O ATOM 0 H ASP A 37 -6.370 -6.474 1.848 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.682 -9.199 1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.704 -7.931 -0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.070 -7.391 -1.222 1.00 0.00 H new ATOM 608 N PRO A 38 -4.264 -8.905 1.909 1.00 0.00 N ATOM 609 CA PRO A 38 -2.794 -8.922 2.169 1.00 0.00 C ATOM 610 C PRO A 38 -2.043 -9.654 1.062 1.00 0.00 C ATOM 611 O PRO A 38 -0.894 -9.335 0.763 1.00 0.00 O ATOM 612 CB PRO A 38 -2.630 -9.644 3.512 1.00 0.00 C ATOM 613 CG PRO A 38 -4.000 -10.008 3.986 1.00 0.00 C ATOM 614 CD PRO A 38 -4.989 -9.773 2.843 1.00 0.00 C ATOM 0 HA PRO A 38 -2.381 -7.914 2.195 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.013 -10.535 3.397 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.130 -9.001 4.236 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.027 -11.051 4.301 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.273 -9.406 4.853 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.280 -10.711 2.370 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.903 -9.298 3.199 1.00 0.00 H new ATOM 622 N SER A 39 -2.717 -10.624 0.442 1.00 0.00 N ATOM 623 CA SER A 39 -2.126 -11.384 -0.651 1.00 0.00 C ATOM 624 C SER A 39 -1.835 -10.439 -1.805 1.00 0.00 C ATOM 625 O SER A 39 -0.878 -10.629 -2.559 1.00 0.00 O ATOM 626 CB SER A 39 -3.078 -12.493 -1.111 1.00 0.00 C ATOM 627 OG SER A 39 -3.569 -13.193 0.025 1.00 0.00 O ATOM 0 H SER A 39 -3.670 -10.898 0.680 1.00 0.00 H new ATOM 0 HA SER A 39 -1.201 -11.849 -0.309 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.907 -12.065 -1.675 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.558 -13.180 -1.779 1.00 0.00 H new ATOM 0 HG SER A 39 -4.180 -13.902 -0.266 1.00 0.00 H new ATOM 633 N GLN A 40 -2.679 -9.411 -1.921 1.00 0.00 N ATOM 634 CA GLN A 40 -2.530 -8.417 -2.967 1.00 0.00 C ATOM 635 C GLN A 40 -1.732 -7.217 -2.472 1.00 0.00 C ATOM 636 O GLN A 40 -1.553 -6.256 -3.209 1.00 0.00 O ATOM 637 CB GLN A 40 -3.906 -7.960 -3.469 1.00 0.00 C ATOM 638 CG GLN A 40 -4.613 -9.124 -4.175 1.00 0.00 C ATOM 639 CD GLN A 40 -3.884 -9.482 -5.469 1.00 0.00 C ATOM 640 OE1 GLN A 40 -3.757 -8.648 -6.365 1.00 0.00 O ATOM 641 NE2 GLN A 40 -3.388 -10.679 -5.616 1.00 0.00 N ATOM 0 H GLN A 40 -3.471 -9.252 -1.299 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.984 -8.876 -3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.510 -7.609 -2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.793 -7.121 -4.155 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.646 -9.992 -3.516 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.645 -8.852 -4.395 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.494 -11.370 -4.873 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.894 -10.925 -6.474 1.00 0.00 H new ATOM 650 N SER A 41 -1.218 -7.291 -1.238 1.00 0.00 N ATOM 651 CA SER A 41 -0.411 -6.201 -0.689 1.00 0.00 C ATOM 652 C SER A 41 0.719 -5.926 -1.663 1.00 0.00 C ATOM 653 O SER A 41 1.110 -4.790 -1.860 1.00 0.00 O ATOM 654 CB SER A 41 0.179 -6.606 0.674 1.00 0.00 C ATOM 655 OG SER A 41 1.189 -7.581 0.452 1.00 0.00 O ATOM 0 H SER A 41 -1.346 -8.084 -0.610 1.00 0.00 H new ATOM 0 HA SER A 41 -1.029 -5.315 -0.548 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.596 -5.736 1.181 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.601 -7.008 1.321 1.00 0.00 H new ATOM 0 HG SER A 41 0.776 -8.465 0.363 1.00 0.00 H new ATOM 661 N ALA A 42 1.201 -7.006 -2.278 1.00 0.00 N ATOM 662 CA ALA A 42 2.274 -6.942 -3.259 1.00 0.00 C ATOM 663 C ALA A 42 1.829 -6.209 -4.526 1.00 0.00 C ATOM 664 O ALA A 42 2.592 -5.460 -5.136 1.00 0.00 O ATOM 665 CB ALA A 42 2.693 -8.360 -3.629 1.00 0.00 C ATOM 0 H ALA A 42 0.855 -7.950 -2.107 1.00 0.00 H new ATOM 0 HA ALA A 42 3.108 -6.394 -2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.497 -8.322 -4.364 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.041 -8.881 -2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.841 -8.893 -4.051 1.00 0.00 H new ATOM 671 N ASN A 43 0.586 -6.442 -4.910 1.00 0.00 N ATOM 672 CA ASN A 43 -0.001 -5.814 -6.077 1.00 0.00 C ATOM 673 C ASN A 43 -0.295 -4.366 -5.801 1.00 0.00 C ATOM 674 O ASN A 43 -0.294 -3.520 -6.684 1.00 0.00 O ATOM 675 CB ASN A 43 -1.326 -6.475 -6.332 1.00 0.00 C ATOM 676 CG ASN A 43 -1.849 -6.172 -7.735 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.089 -5.795 -8.630 1.00 0.00 O ATOM 678 ND2 ASN A 43 -3.118 -6.317 -7.975 1.00 0.00 N ATOM 0 H ASN A 43 -0.045 -7.075 -4.418 1.00 0.00 H new ATOM 0 HA ASN A 43 0.688 -5.906 -6.916 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.225 -7.553 -6.207 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.051 -6.135 -5.592 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.487 -6.119 -8.905 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.745 -6.629 -7.233 1.00 0.00 H new ATOM 685 N LEU A 44 -0.668 -4.139 -4.562 1.00 0.00 N ATOM 686 CA LEU A 44 -1.099 -2.839 -4.121 1.00 0.00 C ATOM 687 C LEU A 44 -0.006 -1.815 -4.172 1.00 0.00 C ATOM 688 O LEU A 44 -0.246 -0.725 -4.663 1.00 0.00 O ATOM 689 CB LEU A 44 -1.720 -2.981 -2.752 1.00 0.00 C ATOM 690 CG LEU A 44 -3.035 -3.743 -2.949 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.532 -4.346 -1.638 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.069 -2.784 -3.525 1.00 0.00 C ATOM 0 H LEU A 44 -0.680 -4.853 -3.834 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.851 -2.456 -4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.055 -3.522 -2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.901 -2.004 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.869 -4.571 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.466 -4.879 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.786 -5.040 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.699 -3.550 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.012 -3.311 -3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.220 -1.954 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.716 -2.400 -4.482 1.00 0.00 H new ATOM 704 N LEU A 45 1.205 -2.154 -3.755 1.00 0.00 N ATOM 705 CA LEU A 45 2.276 -1.166 -3.911 1.00 0.00 C ATOM 706 C LEU A 45 2.515 -1.061 -5.393 1.00 0.00 C ATOM 707 O LEU A 45 2.870 -0.026 -5.896 1.00 0.00 O ATOM 708 CB LEU A 45 3.640 -1.394 -3.210 1.00 0.00 C ATOM 709 CG LEU A 45 3.710 -2.629 -2.336 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.628 -2.592 -1.262 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.613 -3.853 -3.228 1.00 0.00 C ATOM 0 H LEU A 45 1.467 -3.044 -3.332 1.00 0.00 H new ATOM 0 HA LEU A 45 1.910 -0.273 -3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.417 -1.462 -3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.868 -0.521 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 45 4.660 -2.667 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.696 -3.488 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.766 -1.710 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.647 -2.551 -1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.662 -4.754 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.668 -3.834 -3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.440 -3.852 -3.938 1.00 0.00 H new ATOM 723 N ALA A 46 2.296 -2.176 -6.085 1.00 0.00 N ATOM 724 CA ALA A 46 2.465 -2.213 -7.530 1.00 0.00 C ATOM 725 C ALA A 46 1.513 -1.202 -8.134 1.00 0.00 C ATOM 726 O ALA A 46 1.876 -0.412 -9.002 1.00 0.00 O ATOM 727 CB ALA A 46 2.107 -3.600 -8.057 1.00 0.00 C ATOM 0 H ALA A 46 2.003 -3.060 -5.669 1.00 0.00 H new ATOM 0 HA ALA A 46 3.498 -1.985 -7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.235 -3.622 -9.139 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.760 -4.343 -7.599 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.070 -3.827 -7.810 1.00 0.00 H new ATOM 733 N GLU A 47 0.299 -1.224 -7.598 1.00 0.00 N ATOM 734 CA GLU A 47 -0.748 -0.318 -7.988 1.00 0.00 C ATOM 735 C GLU A 47 -0.370 1.077 -7.542 1.00 0.00 C ATOM 736 O GLU A 47 -0.411 2.025 -8.302 1.00 0.00 O ATOM 737 CB GLU A 47 -2.013 -0.750 -7.254 1.00 0.00 C ATOM 738 CG GLU A 47 -2.829 -1.715 -8.112 1.00 0.00 C ATOM 739 CD GLU A 47 -3.727 -2.573 -7.220 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.264 -3.607 -6.765 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.861 -2.181 -6.999 1.00 0.00 O ATOM 0 H GLU A 47 0.021 -1.884 -6.872 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.901 -0.327 -9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.748 -1.228 -6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.615 0.125 -7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.436 -1.157 -8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.162 -2.353 -8.692 1.00 0.00 H new ATOM 748 N ALA A 48 0.007 1.146 -6.281 1.00 0.00 N ATOM 749 CA ALA A 48 0.409 2.383 -5.635 1.00 0.00 C ATOM 750 C ALA A 48 1.571 3.018 -6.368 1.00 0.00 C ATOM 751 O ALA A 48 1.545 4.200 -6.678 1.00 0.00 O ATOM 752 CB ALA A 48 0.811 2.086 -4.200 1.00 0.00 C ATOM 0 H ALA A 48 0.044 0.333 -5.666 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.429 3.079 -5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.114 3.010 -3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.035 1.652 -3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.643 1.382 -4.194 1.00 0.00 H new ATOM 758 N LYS A 49 2.567 2.209 -6.675 1.00 0.00 N ATOM 759 CA LYS A 49 3.719 2.681 -7.422 1.00 0.00 C ATOM 760 C LYS A 49 3.231 3.161 -8.782 1.00 0.00 C ATOM 761 O LYS A 49 3.722 4.157 -9.314 1.00 0.00 O ATOM 762 CB LYS A 49 4.763 1.561 -7.563 1.00 0.00 C ATOM 763 CG LYS A 49 5.451 1.327 -6.203 1.00 0.00 C ATOM 764 CD LYS A 49 6.383 0.108 -6.278 1.00 0.00 C ATOM 765 CE LYS A 49 6.900 -0.235 -4.872 1.00 0.00 C ATOM 766 NZ LYS A 49 7.787 -1.431 -4.942 1.00 0.00 N ATOM 0 H LYS A 49 2.602 1.222 -6.419 1.00 0.00 H new ATOM 0 HA LYS A 49 4.204 3.504 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.284 0.643 -7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.503 1.832 -8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.021 2.212 -5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.699 1.171 -5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.849 -0.745 -6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.221 0.319 -6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.447 0.612 -4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.062 -0.430 -4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.268 -1.560 -4.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.217 -2.274 -5.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.496 -1.294 -5.690 1.00 0.00 H new ATOM 780 N LYS A 50 2.210 2.466 -9.312 1.00 0.00 N ATOM 781 CA LYS A 50 1.607 2.853 -10.580 1.00 0.00 C ATOM 782 C LYS A 50 0.830 4.150 -10.388 1.00 0.00 C ATOM 783 O LYS A 50 0.845 5.015 -11.245 1.00 0.00 O ATOM 784 CB LYS A 50 0.660 1.751 -11.093 1.00 0.00 C ATOM 785 CG LYS A 50 1.199 1.147 -12.401 1.00 0.00 C ATOM 786 CD LYS A 50 2.161 -0.014 -12.095 1.00 0.00 C ATOM 787 CE LYS A 50 1.366 -1.304 -11.846 1.00 0.00 C ATOM 788 NZ LYS A 50 2.213 -2.270 -11.089 1.00 0.00 N ATOM 0 H LYS A 50 1.794 1.641 -8.879 1.00 0.00 H new ATOM 0 HA LYS A 50 2.396 2.997 -11.318 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.558 0.970 -10.339 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.334 2.165 -11.259 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.371 0.791 -13.014 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.715 1.914 -12.978 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.849 -0.156 -12.928 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.766 0.225 -11.220 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.458 -1.082 -11.285 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.055 -1.742 -12.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.641 -3.094 -10.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.005 -2.581 -11.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.585 -1.809 -10.234 1.00 0.00 H new ATOM 802 N LEU A 51 0.161 4.255 -9.236 1.00 0.00 N ATOM 803 CA LEU A 51 -0.635 5.427 -8.884 1.00 0.00 C ATOM 804 C LEU A 51 0.272 6.625 -8.678 1.00 0.00 C ATOM 805 O LEU A 51 0.003 7.729 -9.150 1.00 0.00 O ATOM 806 CB LEU A 51 -1.337 5.172 -7.549 1.00 0.00 C ATOM 807 CG LEU A 51 -2.752 4.596 -7.687 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.722 5.707 -8.124 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.781 3.396 -8.659 1.00 0.00 C ATOM 0 H LEU A 51 0.158 3.526 -8.522 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.350 5.615 -9.685 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.732 4.484 -6.958 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.390 6.108 -6.993 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.074 4.218 -6.717 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.727 5.295 -8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.726 6.501 -7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.402 6.113 -9.084 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.799 3.012 -8.733 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.442 3.717 -9.644 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.123 2.610 -8.287 1.00 0.00 H new ATOM 821 N ASN A 52 1.345 6.366 -7.944 1.00 0.00 N ATOM 822 CA ASN A 52 2.330 7.369 -7.616 1.00 0.00 C ATOM 823 C ASN A 52 2.923 7.920 -8.894 1.00 0.00 C ATOM 824 O ASN A 52 3.017 9.134 -9.088 1.00 0.00 O ATOM 825 CB ASN A 52 3.415 6.699 -6.758 1.00 0.00 C ATOM 826 CG ASN A 52 4.441 7.708 -6.263 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.179 8.452 -5.322 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.609 7.766 -6.839 1.00 0.00 N ATOM 0 H ASN A 52 1.552 5.444 -7.560 1.00 0.00 H new ATOM 0 HA ASN A 52 1.882 8.195 -7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.951 6.203 -5.905 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.916 5.927 -7.342 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.308 8.431 -6.508 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.824 7.147 -7.620 1.00 0.00 H new ATOM 835 N ASP A 53 3.297 6.996 -9.765 1.00 0.00 N ATOM 836 CA ASP A 53 3.865 7.335 -11.044 1.00 0.00 C ATOM 837 C ASP A 53 2.821 7.925 -11.991 1.00 0.00 C ATOM 838 O ASP A 53 3.124 8.811 -12.793 1.00 0.00 O ATOM 839 CB ASP A 53 4.475 6.082 -11.681 1.00 0.00 C ATOM 840 CG ASP A 53 5.237 6.451 -12.954 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.388 6.840 -12.842 1.00 0.00 O ATOM 842 OD2 ASP A 53 4.655 6.343 -14.021 1.00 0.00 O ATOM 0 H ASP A 53 3.212 5.993 -9.598 1.00 0.00 H new ATOM 0 HA ASP A 53 4.634 8.090 -10.877 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.148 5.597 -10.974 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.688 5.365 -11.915 1.00 0.00 H new ATOM 847 N ALA A 54 1.606 7.376 -11.927 1.00 0.00 N ATOM 848 CA ALA A 54 0.525 7.792 -12.824 1.00 0.00 C ATOM 849 C ALA A 54 -0.059 9.152 -12.501 1.00 0.00 C ATOM 850 O ALA A 54 -0.390 9.916 -13.412 1.00 0.00 O ATOM 851 CB ALA A 54 -0.607 6.789 -12.722 1.00 0.00 C ATOM 0 H ALA A 54 1.346 6.644 -11.265 1.00 0.00 H new ATOM 0 HA ALA A 54 0.965 7.845 -13.820 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.419 7.088 -13.385 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.246 5.802 -13.012 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.972 6.755 -11.695 1.00 0.00 H new ATOM 857 N GLN A 55 -0.222 9.446 -11.218 1.00 0.00 N ATOM 858 CA GLN A 55 -0.813 10.707 -10.830 1.00 0.00 C ATOM 859 C GLN A 55 0.234 11.783 -10.744 1.00 0.00 C ATOM 860 O GLN A 55 0.033 12.907 -11.207 1.00 0.00 O ATOM 861 CB GLN A 55 -1.444 10.551 -9.466 1.00 0.00 C ATOM 862 CG GLN A 55 -2.590 9.548 -9.507 1.00 0.00 C ATOM 863 CD GLN A 55 -3.127 9.370 -8.098 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.050 8.592 -7.881 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.605 10.068 -7.121 1.00 0.00 N ATOM 0 H GLN A 55 0.043 8.836 -10.444 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.556 10.988 -11.577 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.692 10.221 -8.749 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.813 11.516 -9.119 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.379 9.902 -10.171 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.244 8.594 -9.903 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.838 10.713 -7.309 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.966 9.967 -6.172 1.00 0.00 H new ATOM 874 N ALA A 56 1.336 11.417 -10.100 1.00 0.00 N ATOM 875 CA ALA A 56 2.442 12.345 -9.871 1.00 0.00 C ATOM 876 C ALA A 56 1.901 13.735 -9.457 1.00 0.00 C ATOM 877 O ALA A 56 2.323 14.751 -10.009 1.00 0.00 O ATOM 878 CB ALA A 56 3.298 12.450 -11.141 1.00 0.00 C ATOM 0 H ALA A 56 1.490 10.481 -9.725 1.00 0.00 H new ATOM 0 HA ALA A 56 3.064 11.969 -9.059 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.122 13.142 -10.968 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.697 11.467 -11.393 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.684 12.815 -11.964 1.00 0.00 H new