USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 475 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 2 THR OG1 : rot 100:sc= 0.689 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 174:sc= 0.783 (180deg=0) USER MOD Single : A 1 THR N :NH3+ -164:sc= -0.0703 (180deg=-0.617) USER MOD Single : A 1 THR OG1 : rot -164:sc= 0.904 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0.0352 K(o=0.035,f=-9.3!) USER MOD Single : A 10 LYS NZ :NH3+ -160:sc= 1.19 (180deg=0.916) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= 0.93 (180deg=0.926) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0246 K(o=-0.025,f=-1.2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.428 USER MOD Single : A 44 THR OG1 : rot 73:sc= 0.253 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= 1.3 (180deg=0.916) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 178:sc= 0.772 USER MOD Single : A 55 THR OG1 : rot -7:sc= 0.462 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -8.179 -1.139 5.139 1.00 0.00 N ATOM 2 CA THR A 1 -6.992 -0.296 5.067 1.00 0.00 C ATOM 3 C THR A 1 -7.076 0.675 3.897 1.00 0.00 C ATOM 4 O THR A 1 -6.504 1.765 3.939 1.00 0.00 O ATOM 5 CB THR A 1 -5.709 -1.137 4.932 1.00 0.00 C ATOM 6 OG1 THR A 1 -5.783 -1.939 3.745 1.00 0.00 O ATOM 7 CG2 THR A 1 -5.534 -2.043 6.140 1.00 0.00 C ATOM 0 H1 THR A 1 -8.228 -1.591 6.075 1.00 0.00 H new ATOM 0 H2 THR A 1 -9.028 -0.557 4.991 1.00 0.00 H new ATOM 0 H3 THR A 1 -8.129 -1.872 4.403 1.00 0.00 H new ATOM 0 HA THR A 1 -6.950 0.267 6.000 1.00 0.00 H new ATOM 0 HB THR A 1 -4.856 -0.462 4.871 1.00 0.00 H new ATOM 0 HG1 THR A 1 -5.102 -2.642 3.782 1.00 0.00 H new ATOM 0 HG21 THR A 1 -4.622 -2.629 6.026 1.00 0.00 H new ATOM 0 HG22 THR A 1 -5.465 -1.436 7.043 1.00 0.00 H new ATOM 0 HG23 THR A 1 -6.389 -2.714 6.218 1.00 0.00 H new ATOM 17 N THR A 2 -7.793 0.276 2.852 1.00 0.00 N ATOM 18 CA THR A 2 -8.000 1.132 1.691 1.00 0.00 C ATOM 19 C THR A 2 -9.248 1.992 1.857 1.00 0.00 C ATOM 20 O THR A 2 -9.468 2.936 1.099 1.00 0.00 O ATOM 21 CB THR A 2 -8.125 0.309 0.396 1.00 0.00 C ATOM 22 OG1 THR A 2 -9.263 -0.558 0.484 1.00 0.00 O ATOM 23 CG2 THR A 2 -6.873 -0.525 0.172 1.00 0.00 C ATOM 0 H THR A 2 -8.242 -0.638 2.786 1.00 0.00 H new ATOM 0 HA THR A 2 -7.124 1.777 1.617 1.00 0.00 H new ATOM 0 HB THR A 2 -8.248 0.995 -0.442 1.00 0.00 H new ATOM 0 HG1 THR A 2 -10.015 -0.162 -0.004 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.979 -1.100 -0.748 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.007 0.133 0.091 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.734 -1.206 1.012 1.00 0.00 H new ATOM 31 N TYR A 3 -10.062 1.656 2.851 1.00 0.00 N ATOM 32 CA TYR A 3 -11.258 2.435 3.156 1.00 0.00 C ATOM 33 C TYR A 3 -10.908 3.707 3.917 1.00 0.00 C ATOM 34 O TYR A 3 -11.601 4.718 3.805 1.00 0.00 O ATOM 35 CB TYR A 3 -12.250 1.595 3.966 1.00 0.00 C ATOM 36 CG TYR A 3 -12.963 0.536 3.154 1.00 0.00 C ATOM 37 CD1 TYR A 3 -14.010 0.874 2.309 1.00 0.00 C ATOM 38 CD2 TYR A 3 -12.589 -0.796 3.236 1.00 0.00 C ATOM 39 CE1 TYR A 3 -14.664 -0.087 1.564 1.00 0.00 C ATOM 40 CE2 TYR A 3 -13.237 -1.767 2.496 1.00 0.00 C ATOM 41 CZ TYR A 3 -14.276 -1.409 1.661 1.00 0.00 C ATOM 42 OH TYR A 3 -14.925 -2.371 0.923 1.00 0.00 O ATOM 0 H TYR A 3 -9.917 0.850 3.459 1.00 0.00 H new ATOM 0 HA TYR A 3 -11.721 2.720 2.211 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -11.718 1.113 4.786 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -12.992 2.257 4.413 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -14.319 1.906 2.233 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -11.777 -1.080 3.889 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -15.475 0.194 0.908 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.932 -2.800 2.571 1.00 0.00 H new ATOM 0 HH TYR A 3 -14.528 -3.248 1.107 1.00 0.00 H new ATOM 52 N LYS A 4 -9.830 3.651 4.689 1.00 0.00 N ATOM 53 CA LYS A 4 -9.346 4.818 5.417 1.00 0.00 C ATOM 54 C LYS A 4 -8.035 5.328 4.833 1.00 0.00 C ATOM 55 O LYS A 4 -6.955 4.907 5.248 1.00 0.00 O ATOM 56 CB LYS A 4 -9.169 4.489 6.901 1.00 0.00 C ATOM 57 CG LYS A 4 -10.464 4.173 7.635 1.00 0.00 C ATOM 58 CD LYS A 4 -10.209 3.874 9.104 1.00 0.00 C ATOM 59 CE LYS A 4 -11.503 3.548 9.837 1.00 0.00 C ATOM 60 NZ LYS A 4 -11.302 3.463 11.308 1.00 0.00 N ATOM 0 H LYS A 4 -9.273 2.808 4.828 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.092 5.606 5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.496 3.637 6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.684 5.333 7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.149 5.016 7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.950 3.317 7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.518 3.035 9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.729 4.733 9.574 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.248 4.313 9.616 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.900 2.601 9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.207 3.239 11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.611 2.716 11.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.948 4.374 11.663 1.00 0.00 H new ATOM 74 N LEU A 5 -8.136 6.237 3.868 1.00 0.00 N ATOM 75 CA LEU A 5 -6.961 6.761 3.183 1.00 0.00 C ATOM 76 C LEU A 5 -6.275 7.839 4.011 1.00 0.00 C ATOM 77 O LEU A 5 -6.935 8.642 4.671 1.00 0.00 O ATOM 78 CB LEU A 5 -7.353 7.312 1.807 1.00 0.00 C ATOM 79 CG LEU A 5 -7.973 6.290 0.846 1.00 0.00 C ATOM 80 CD1 LEU A 5 -8.389 6.975 -0.448 1.00 0.00 C ATOM 81 CD2 LEU A 5 -6.971 5.178 0.569 1.00 0.00 C ATOM 0 H LEU A 5 -9.021 6.626 3.543 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.254 5.942 3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.060 8.129 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.466 7.737 1.337 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.862 5.855 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.828 6.241 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.122 7.751 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.515 7.424 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.412 4.452 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.073 5.601 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.709 4.683 1.504 1.00 0.00 H new ATOM 93 N ILE A 6 -4.947 7.854 3.972 1.00 0.00 N ATOM 94 CA ILE A 6 -4.168 8.782 4.782 1.00 0.00 C ATOM 95 C ILE A 6 -3.719 9.985 3.962 1.00 0.00 C ATOM 96 O ILE A 6 -3.099 9.834 2.910 1.00 0.00 O ATOM 97 CB ILE A 6 -2.931 8.098 5.392 1.00 0.00 C ATOM 98 CG1 ILE A 6 -3.354 6.957 6.321 1.00 0.00 C ATOM 99 CG2 ILE A 6 -2.078 9.109 6.142 1.00 0.00 C ATOM 100 CD1 ILE A 6 -2.206 6.097 6.795 1.00 0.00 C ATOM 0 H ILE A 6 -4.388 7.233 3.387 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.819 9.119 5.588 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.334 7.679 4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.863 7.377 7.189 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.077 6.328 5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.208 8.608 6.566 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.748 9.888 5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.665 9.557 6.943 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.586 5.311 7.448 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.710 5.646 5.935 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.493 6.712 7.344 1.00 0.00 H new ATOM 112 N LEU A 7 -4.035 11.179 4.451 1.00 0.00 N ATOM 113 CA LEU A 7 -3.720 12.409 3.736 1.00 0.00 C ATOM 114 C LEU A 7 -2.218 12.669 3.722 1.00 0.00 C ATOM 115 O LEU A 7 -1.686 13.239 2.770 1.00 0.00 O ATOM 116 CB LEU A 7 -4.461 13.595 4.365 1.00 0.00 C ATOM 117 CG LEU A 7 -5.987 13.571 4.206 1.00 0.00 C ATOM 118 CD1 LEU A 7 -6.615 14.700 5.013 1.00 0.00 C ATOM 119 CD2 LEU A 7 -6.346 13.696 2.733 1.00 0.00 C ATOM 0 H LEU A 7 -4.510 11.321 5.342 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.051 12.293 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.223 13.629 5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.080 14.516 3.924 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.377 12.626 4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.698 14.674 4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.363 14.578 6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.234 15.657 4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.430 13.679 2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.955 14.635 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.910 12.863 2.180 1.00 0.00 H new ATOM 131 N ASN A 8 -1.541 12.248 4.784 1.00 0.00 N ATOM 132 CA ASN A 8 -0.091 12.384 4.872 1.00 0.00 C ATOM 133 C ASN A 8 0.608 11.429 3.913 1.00 0.00 C ATOM 134 O ASN A 8 0.441 10.212 4.000 1.00 0.00 O ATOM 135 CB ASN A 8 0.402 12.161 6.290 1.00 0.00 C ATOM 136 CG ASN A 8 1.875 12.408 6.464 1.00 0.00 C ATOM 137 OD1 ASN A 8 2.715 11.708 5.887 1.00 0.00 O ATOM 138 ND2 ASN A 8 2.192 13.347 7.318 1.00 0.00 N ATOM 0 H ASN A 8 -1.973 11.809 5.597 1.00 0.00 H new ATOM 0 HA ASN A 8 0.157 13.406 4.584 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.149 12.816 6.964 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.177 11.137 6.587 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.172 13.530 7.535 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.459 13.897 7.767 1.00 0.00 H new ATOM 145 N LEU A 9 1.395 11.988 3.000 1.00 0.00 N ATOM 146 CA LEU A 9 2.066 11.194 1.977 1.00 0.00 C ATOM 147 C LEU A 9 2.968 10.139 2.604 1.00 0.00 C ATOM 148 O LEU A 9 2.917 8.966 2.236 1.00 0.00 O ATOM 149 CB LEU A 9 2.876 12.104 1.046 1.00 0.00 C ATOM 150 CG LEU A 9 3.668 11.379 -0.049 1.00 0.00 C ATOM 151 CD1 LEU A 9 2.717 10.617 -0.963 1.00 0.00 C ATOM 152 CD2 LEU A 9 4.483 12.390 -0.843 1.00 0.00 C ATOM 0 H LEU A 9 1.584 12.989 2.947 1.00 0.00 H new ATOM 0 HA LEU A 9 1.303 10.680 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.195 12.811 0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.571 12.687 1.649 1.00 0.00 H new ATOM 0 HG LEU A 9 4.349 10.662 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.288 10.105 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.160 9.884 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.021 11.315 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.045 11.874 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.813 13.117 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.175 12.904 -0.176 1.00 0.00 H new ATOM 164 N LYS A 10 3.796 10.563 3.554 1.00 0.00 N ATOM 165 CA LYS A 10 4.756 9.669 4.189 1.00 0.00 C ATOM 166 C LYS A 10 4.052 8.509 4.882 1.00 0.00 C ATOM 167 O LYS A 10 4.378 7.345 4.647 1.00 0.00 O ATOM 168 CB LYS A 10 5.618 10.435 5.193 1.00 0.00 C ATOM 169 CG LYS A 10 6.677 9.589 5.887 1.00 0.00 C ATOM 170 CD LYS A 10 7.536 10.433 6.817 1.00 0.00 C ATOM 171 CE LYS A 10 8.670 9.614 7.418 1.00 0.00 C ATOM 172 NZ LYS A 10 8.189 8.697 8.487 1.00 0.00 N ATOM 0 H LYS A 10 3.821 11.522 3.901 1.00 0.00 H new ATOM 0 HA LYS A 10 5.399 9.261 3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.110 11.259 4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.969 10.875 5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.195 8.794 6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.309 9.109 5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.948 11.279 6.267 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.917 10.842 7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.154 9.033 6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.424 10.285 7.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.989 8.417 9.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.473 9.182 9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.769 7.850 8.054 1.00 0.00 H new ATOM 186 N GLN A 11 3.088 8.833 5.736 1.00 0.00 N ATOM 187 CA GLN A 11 2.357 7.819 6.489 1.00 0.00 C ATOM 188 C GLN A 11 1.536 6.931 5.563 1.00 0.00 C ATOM 189 O GLN A 11 1.383 5.735 5.809 1.00 0.00 O ATOM 190 CB GLN A 11 1.441 8.477 7.522 1.00 0.00 C ATOM 191 CG GLN A 11 2.177 9.136 8.676 1.00 0.00 C ATOM 192 CD GLN A 11 1.235 9.835 9.639 1.00 0.00 C ATOM 193 OE1 GLN A 11 0.022 9.881 9.420 1.00 0.00 O ATOM 194 NE2 GLN A 11 1.790 10.387 10.713 1.00 0.00 N ATOM 0 H GLN A 11 2.794 9.791 5.925 1.00 0.00 H new ATOM 0 HA GLN A 11 3.089 7.196 7.004 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.827 9.226 7.022 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.762 7.724 7.921 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.750 8.382 9.216 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.892 9.859 8.282 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.798 10.325 10.855 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.208 10.872 11.395 1.00 0.00 H new ATOM 203 N ALA A 12 1.007 7.524 4.498 1.00 0.00 N ATOM 204 CA ALA A 12 0.255 6.776 3.498 1.00 0.00 C ATOM 205 C ALA A 12 1.145 5.773 2.774 1.00 0.00 C ATOM 206 O ALA A 12 0.744 4.636 2.528 1.00 0.00 O ATOM 207 CB ALA A 12 -0.398 7.725 2.505 1.00 0.00 C ATOM 0 H ALA A 12 1.086 8.523 4.305 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.527 6.218 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.955 7.150 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.078 8.393 3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.371 8.313 2.004 1.00 0.00 H new ATOM 213 N LYS A 13 2.355 6.204 2.436 1.00 0.00 N ATOM 214 CA LYS A 13 3.325 5.330 1.786 1.00 0.00 C ATOM 215 C LYS A 13 3.709 4.165 2.690 1.00 0.00 C ATOM 216 O LYS A 13 3.862 3.032 2.231 1.00 0.00 O ATOM 217 CB LYS A 13 4.573 6.117 1.385 1.00 0.00 C ATOM 218 CG LYS A 13 4.373 7.053 0.201 1.00 0.00 C ATOM 219 CD LYS A 13 5.581 7.956 -0.001 1.00 0.00 C ATOM 220 CE LYS A 13 6.791 7.166 -0.476 1.00 0.00 C ATOM 221 NZ LYS A 13 7.978 8.038 -0.688 1.00 0.00 N ATOM 0 H LYS A 13 2.688 7.154 2.601 1.00 0.00 H new ATOM 0 HA LYS A 13 2.859 4.926 0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.910 6.701 2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.370 5.413 1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.199 6.468 -0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.484 7.662 0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.341 8.730 -0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.819 8.462 0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.033 6.397 0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.547 6.653 -1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.780 7.460 -1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.757 8.756 -1.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.228 8.508 0.206 1.00 0.00 H new ATOM 235 N GLU A 14 3.864 4.449 3.980 1.00 0.00 N ATOM 236 CA GLU A 14 4.260 3.432 4.946 1.00 0.00 C ATOM 237 C GLU A 14 3.188 2.359 5.088 1.00 0.00 C ATOM 238 O GLU A 14 3.492 1.167 5.137 1.00 0.00 O ATOM 239 CB GLU A 14 4.549 4.071 6.306 1.00 0.00 C ATOM 240 CG GLU A 14 5.814 4.915 6.348 1.00 0.00 C ATOM 241 CD GLU A 14 5.917 5.679 7.640 1.00 0.00 C ATOM 242 OE1 GLU A 14 5.009 5.598 8.430 1.00 0.00 O ATOM 243 OE2 GLU A 14 6.952 6.256 7.885 1.00 0.00 O ATOM 0 H GLU A 14 3.721 5.376 4.380 1.00 0.00 H new ATOM 0 HA GLU A 14 5.169 2.957 4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.701 4.695 6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.628 3.283 7.055 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.687 4.272 6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.817 5.612 5.510 1.00 0.00 H new ATOM 250 N GLU A 15 1.933 2.789 5.154 1.00 0.00 N ATOM 251 CA GLU A 15 0.812 1.865 5.279 1.00 0.00 C ATOM 252 C GLU A 15 0.548 1.139 3.967 1.00 0.00 C ATOM 253 O GLU A 15 0.125 -0.017 3.960 1.00 0.00 O ATOM 254 CB GLU A 15 -0.446 2.607 5.732 1.00 0.00 C ATOM 255 CG GLU A 15 -0.399 3.107 7.169 1.00 0.00 C ATOM 256 CD GLU A 15 -0.202 1.973 8.136 1.00 0.00 C ATOM 257 OE1 GLU A 15 -0.964 1.037 8.087 1.00 0.00 O ATOM 258 OE2 GLU A 15 0.774 1.987 8.849 1.00 0.00 O ATOM 0 H GLU A 15 1.666 3.773 5.123 1.00 0.00 H new ATOM 0 HA GLU A 15 1.075 1.122 6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.610 3.457 5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.304 1.945 5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.412 3.827 7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.325 3.632 7.404 1.00 0.00 H new ATOM 265 N ALA A 16 0.800 1.824 2.856 1.00 0.00 N ATOM 266 CA ALA A 16 0.677 1.216 1.536 1.00 0.00 C ATOM 267 C ALA A 16 1.634 0.041 1.381 1.00 0.00 C ATOM 268 O ALA A 16 1.260 -1.011 0.862 1.00 0.00 O ATOM 269 CB ALA A 16 0.927 2.254 0.451 1.00 0.00 C ATOM 0 H ALA A 16 1.091 2.802 2.844 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.339 0.836 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.832 1.786 -0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.197 3.058 0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.932 2.662 0.562 1.00 0.00 H new ATOM 275 N ILE A 17 2.870 0.226 1.834 1.00 0.00 N ATOM 276 CA ILE A 17 3.888 -0.812 1.726 1.00 0.00 C ATOM 277 C ILE A 17 3.834 -1.764 2.914 1.00 0.00 C ATOM 278 O ILE A 17 4.471 -2.817 2.907 1.00 0.00 O ATOM 279 CB ILE A 17 5.301 -0.207 1.628 1.00 0.00 C ATOM 280 CG1 ILE A 17 5.660 0.523 2.924 1.00 0.00 C ATOM 281 CG2 ILE A 17 5.396 0.736 0.438 1.00 0.00 C ATOM 282 CD1 ILE A 17 7.064 1.084 2.941 1.00 0.00 C ATOM 0 H ILE A 17 3.190 1.086 2.280 1.00 0.00 H new ATOM 0 HA ILE A 17 3.676 -1.367 0.812 1.00 0.00 H new ATOM 0 HB ILE A 17 6.015 -1.017 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.952 1.337 3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.544 -0.165 3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.401 1.154 0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.182 0.187 -0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.673 1.543 0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.244 1.586 3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.781 0.273 2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.180 1.798 2.126 1.00 0.00 H new ATOM 294 N LYS A 18 3.070 -1.386 3.934 1.00 0.00 N ATOM 295 CA LYS A 18 2.749 -2.295 5.028 1.00 0.00 C ATOM 296 C LYS A 18 1.949 -3.493 4.533 1.00 0.00 C ATOM 297 O LYS A 18 2.151 -4.617 4.989 1.00 0.00 O ATOM 298 CB LYS A 18 1.974 -1.562 6.124 1.00 0.00 C ATOM 299 CG LYS A 18 1.643 -2.416 7.339 1.00 0.00 C ATOM 300 CD LYS A 18 0.925 -1.604 8.408 1.00 0.00 C ATOM 301 CE LYS A 18 0.574 -2.462 9.614 1.00 0.00 C ATOM 302 NZ LYS A 18 -0.157 -1.688 10.654 1.00 0.00 N ATOM 0 H LYS A 18 2.662 -0.456 4.025 1.00 0.00 H new ATOM 0 HA LYS A 18 3.688 -2.661 5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.556 -0.700 6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.046 -1.178 5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.018 -3.256 7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.560 -2.835 7.753 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.557 -0.773 8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.016 -1.172 7.990 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.037 -3.306 9.293 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.487 -2.875 10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.377 -2.309 11.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.436 -0.898 10.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.041 -1.315 10.252 1.00 0.00 H new ATOM 316 N GLU A 19 1.040 -3.244 3.596 1.00 0.00 N ATOM 317 CA GLU A 19 0.325 -4.318 2.918 1.00 0.00 C ATOM 318 C GLU A 19 1.281 -5.202 2.126 1.00 0.00 C ATOM 319 O GLU A 19 1.082 -6.411 2.021 1.00 0.00 O ATOM 320 CB GLU A 19 -0.750 -3.747 1.994 1.00 0.00 C ATOM 321 CG GLU A 19 -1.957 -3.165 2.717 1.00 0.00 C ATOM 322 CD GLU A 19 -2.874 -4.249 3.210 1.00 0.00 C ATOM 323 OE1 GLU A 19 -2.619 -5.394 2.921 1.00 0.00 O ATOM 324 OE2 GLU A 19 -3.764 -3.947 3.969 1.00 0.00 O ATOM 0 H GLU A 19 0.781 -2.306 3.289 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.154 -4.932 3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.303 -2.969 1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.090 -4.535 1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.622 -2.559 3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.502 -2.503 2.044 1.00 0.00 H new ATOM 331 N LEU A 20 2.320 -4.588 1.569 1.00 0.00 N ATOM 332 CA LEU A 20 3.353 -5.328 0.852 1.00 0.00 C ATOM 333 C LEU A 20 4.180 -6.179 1.805 1.00 0.00 C ATOM 334 O LEU A 20 4.658 -7.253 1.437 1.00 0.00 O ATOM 335 CB LEU A 20 4.257 -4.360 0.079 1.00 0.00 C ATOM 336 CG LEU A 20 3.597 -3.665 -1.119 1.00 0.00 C ATOM 337 CD1 LEU A 20 4.508 -2.569 -1.654 1.00 0.00 C ATOM 338 CD2 LEU A 20 3.297 -4.692 -2.201 1.00 0.00 C ATOM 0 H LEU A 20 2.469 -3.579 1.600 1.00 0.00 H new ATOM 0 HA LEU A 20 2.863 -5.996 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.618 -3.596 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.130 -4.908 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 20 2.661 -3.206 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.031 -2.082 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.692 -1.834 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.455 -3.006 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.828 -4.198 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.226 -5.164 -2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.622 -5.451 -1.805 1.00 0.00 H new ATOM 350 N VAL A 21 4.348 -5.696 3.031 1.00 0.00 N ATOM 351 CA VAL A 21 4.999 -6.473 4.079 1.00 0.00 C ATOM 352 C VAL A 21 4.194 -7.720 4.420 1.00 0.00 C ATOM 353 O VAL A 21 4.752 -8.805 4.583 1.00 0.00 O ATOM 354 CB VAL A 21 5.201 -5.638 5.359 1.00 0.00 C ATOM 355 CG1 VAL A 21 5.676 -6.522 6.502 1.00 0.00 C ATOM 356 CG2 VAL A 21 6.192 -4.512 5.110 1.00 0.00 C ATOM 0 H VAL A 21 4.042 -4.768 3.324 1.00 0.00 H new ATOM 0 HA VAL A 21 5.974 -6.768 3.691 1.00 0.00 H new ATOM 0 HB VAL A 21 4.243 -5.198 5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.813 -5.916 7.398 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.933 -7.295 6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.623 -6.989 6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.322 -3.933 6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.151 -4.932 4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.814 -3.863 4.320 1.00 0.00 H new ATOM 366 N ASP A 22 2.880 -7.559 4.527 1.00 0.00 N ATOM 367 CA ASP A 22 1.983 -8.691 4.729 1.00 0.00 C ATOM 368 C ASP A 22 1.971 -9.609 3.514 1.00 0.00 C ATOM 369 O ASP A 22 1.861 -10.828 3.645 1.00 0.00 O ATOM 370 CB ASP A 22 0.564 -8.205 5.034 1.00 0.00 C ATOM 371 CG ASP A 22 0.388 -7.608 6.424 1.00 0.00 C ATOM 372 OD1 ASP A 22 1.269 -7.773 7.235 1.00 0.00 O ATOM 373 OD2 ASP A 22 -0.543 -6.864 6.617 1.00 0.00 O ATOM 0 H ASP A 22 2.412 -6.654 4.477 1.00 0.00 H new ATOM 0 HA ASP A 22 2.353 -9.259 5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.282 -7.457 4.293 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.125 -9.042 4.921 1.00 0.00 H new ATOM 378 N ALA A 23 2.085 -9.016 2.329 1.00 0.00 N ATOM 379 CA ALA A 23 2.138 -9.783 1.091 1.00 0.00 C ATOM 380 C ALA A 23 3.466 -10.518 0.956 1.00 0.00 C ATOM 381 O ALA A 23 3.538 -11.578 0.333 1.00 0.00 O ATOM 382 CB ALA A 23 1.909 -8.872 -0.106 1.00 0.00 C ATOM 0 H ALA A 23 2.142 -8.006 2.201 1.00 0.00 H new ATOM 0 HA ALA A 23 1.344 -10.529 1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.951 -9.459 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.930 -8.400 -0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.681 -8.103 -0.131 1.00 0.00 H new ATOM 388 N GLY A 24 4.514 -9.950 1.542 1.00 0.00 N ATOM 389 CA GLY A 24 5.851 -10.526 1.446 1.00 0.00 C ATOM 390 C GLY A 24 6.538 -10.108 0.154 1.00 0.00 C ATOM 391 O GLY A 24 7.394 -10.825 -0.366 1.00 0.00 O ATOM 0 H GLY A 24 4.464 -9.091 2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.450 -10.207 2.299 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.786 -11.613 1.491 1.00 0.00 H new ATOM 395 N ILE A 25 6.160 -8.943 -0.361 1.00 0.00 N ATOM 396 CA ILE A 25 6.677 -8.466 -1.639 1.00 0.00 C ATOM 397 C ILE A 25 7.757 -7.412 -1.437 1.00 0.00 C ATOM 398 O ILE A 25 7.492 -6.329 -0.914 1.00 0.00 O ATOM 399 CB ILE A 25 5.557 -7.880 -2.519 1.00 0.00 C ATOM 400 CG1 ILE A 25 4.499 -8.946 -2.815 1.00 0.00 C ATOM 401 CG2 ILE A 25 6.132 -7.323 -3.811 1.00 0.00 C ATOM 402 CD1 ILE A 25 3.260 -8.404 -3.489 1.00 0.00 C ATOM 0 H ILE A 25 5.497 -8.311 0.087 1.00 0.00 H new ATOM 0 HA ILE A 25 7.108 -9.330 -2.145 1.00 0.00 H new ATOM 0 HB ILE A 25 5.081 -7.063 -1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.939 -9.715 -3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.212 -9.429 -1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.327 -6.913 -4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.849 -6.536 -3.580 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.633 -8.120 -4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.557 -9.218 -3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.795 -7.656 -2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.534 -7.947 -4.440 1.00 0.00 H new ATOM 414 N ALA A 26 8.976 -7.731 -1.856 1.00 0.00 N ATOM 415 CA ALA A 26 10.114 -6.843 -1.654 1.00 0.00 C ATOM 416 C ALA A 26 10.299 -5.906 -2.839 1.00 0.00 C ATOM 417 O ALA A 26 11.030 -4.920 -2.756 1.00 0.00 O ATOM 418 CB ALA A 26 11.381 -7.651 -1.411 1.00 0.00 C ATOM 0 H ALA A 26 9.202 -8.601 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 26 9.913 -6.233 -0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.222 -6.973 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.253 -8.271 -0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.577 -8.288 -2.273 1.00 0.00 H new ATOM 424 N GLU A 27 9.632 -6.220 -3.946 1.00 0.00 N ATOM 425 CA GLU A 27 9.822 -5.484 -5.190 1.00 0.00 C ATOM 426 C GLU A 27 9.118 -4.133 -5.144 1.00 0.00 C ATOM 427 O GLU A 27 9.695 -3.110 -5.509 1.00 0.00 O ATOM 428 CB GLU A 27 9.312 -6.302 -6.379 1.00 0.00 C ATOM 429 CG GLU A 27 9.498 -5.629 -7.731 1.00 0.00 C ATOM 430 CD GLU A 27 8.953 -6.480 -8.844 1.00 0.00 C ATOM 431 OE1 GLU A 27 9.419 -7.583 -9.006 1.00 0.00 O ATOM 432 OE2 GLU A 27 7.998 -6.075 -9.462 1.00 0.00 O ATOM 0 H GLU A 27 8.955 -6.980 -4.006 1.00 0.00 H new ATOM 0 HA GLU A 27 10.891 -5.308 -5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.827 -7.263 -6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.252 -6.510 -6.233 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.996 -4.662 -7.730 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.557 -5.438 -7.902 1.00 0.00 H new ATOM 439 N LYS A 28 7.867 -4.139 -4.694 1.00 0.00 N ATOM 440 CA LYS A 28 6.965 -3.018 -4.930 1.00 0.00 C ATOM 441 C LYS A 28 7.241 -1.876 -3.959 1.00 0.00 C ATOM 442 O LYS A 28 7.116 -0.704 -4.316 1.00 0.00 O ATOM 443 CB LYS A 28 5.508 -3.470 -4.809 1.00 0.00 C ATOM 444 CG LYS A 28 5.086 -4.516 -5.832 1.00 0.00 C ATOM 445 CD LYS A 28 5.160 -3.966 -7.249 1.00 0.00 C ATOM 446 CE LYS A 28 4.522 -4.919 -8.248 1.00 0.00 C ATOM 447 NZ LYS A 28 5.319 -6.166 -8.413 1.00 0.00 N ATOM 0 H LYS A 28 7.455 -4.907 -4.164 1.00 0.00 H new ATOM 0 HA LYS A 28 7.141 -2.655 -5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.347 -3.872 -3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.861 -2.599 -4.910 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.729 -5.392 -5.746 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.069 -4.845 -5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.657 -3.000 -7.293 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.202 -3.795 -7.521 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.515 -5.173 -7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.423 -4.421 -9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.833 -6.803 -9.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.260 -5.929 -8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.421 -6.637 -7.492 1.00 0.00 H new ATOM 461 N TYR A 29 7.618 -2.224 -2.734 1.00 0.00 N ATOM 462 CA TYR A 29 7.897 -1.229 -1.707 1.00 0.00 C ATOM 463 C TYR A 29 9.133 -0.412 -2.054 1.00 0.00 C ATOM 464 O TYR A 29 9.353 0.667 -1.502 1.00 0.00 O ATOM 465 CB TYR A 29 8.077 -1.902 -0.344 1.00 0.00 C ATOM 466 CG TYR A 29 9.503 -2.314 -0.049 1.00 0.00 C ATOM 467 CD1 TYR A 29 10.436 -1.387 0.392 1.00 0.00 C ATOM 468 CD2 TYR A 29 9.909 -3.630 -0.209 1.00 0.00 C ATOM 469 CE1 TYR A 29 11.738 -1.758 0.663 1.00 0.00 C ATOM 470 CE2 TYR A 29 11.210 -4.014 0.059 1.00 0.00 C ATOM 471 CZ TYR A 29 12.121 -3.074 0.496 1.00 0.00 C ATOM 472 OH TYR A 29 13.417 -3.450 0.766 1.00 0.00 O ATOM 0 H TYR A 29 7.737 -3.190 -2.428 1.00 0.00 H new ATOM 0 HA TYR A 29 7.044 -0.552 -1.658 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.737 -1.220 0.435 1.00 0.00 H new ATOM 0 HB3 TYR A 29 7.437 -2.783 -0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 29 10.139 -0.357 0.526 1.00 0.00 H new ATOM 0 HD2 TYR A 29 9.197 -4.368 -0.549 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.453 -1.023 1.004 1.00 0.00 H new ATOM 0 HE2 TYR A 29 11.511 -5.043 -0.073 1.00 0.00 H new ATOM 0 HH TYR A 29 13.521 -4.410 0.598 1.00 0.00 H new ATOM 482 N PHE A 30 9.942 -0.932 -2.972 1.00 0.00 N ATOM 483 CA PHE A 30 11.115 -0.214 -3.455 1.00 0.00 C ATOM 484 C PHE A 30 10.823 0.501 -4.768 1.00 0.00 C ATOM 485 O PHE A 30 11.213 1.654 -4.959 1.00 0.00 O ATOM 486 CB PHE A 30 12.294 -1.173 -3.629 1.00 0.00 C ATOM 487 CG PHE A 30 13.533 -0.519 -4.174 1.00 0.00 C ATOM 488 CD1 PHE A 30 14.335 0.267 -3.359 1.00 0.00 C ATOM 489 CD2 PHE A 30 13.897 -0.687 -5.501 1.00 0.00 C ATOM 490 CE1 PHE A 30 15.473 0.869 -3.859 1.00 0.00 C ATOM 491 CE2 PHE A 30 15.035 -0.088 -6.003 1.00 0.00 C ATOM 492 CZ PHE A 30 15.824 0.692 -5.181 1.00 0.00 C ATOM 0 H PHE A 30 9.806 -1.849 -3.396 1.00 0.00 H new ATOM 0 HA PHE A 30 11.376 0.538 -2.710 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.527 -1.626 -2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.997 -1.981 -4.297 1.00 0.00 H new ATOM 0 HD1 PHE A 30 14.067 0.410 -2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 30 13.283 -1.294 -6.150 1.00 0.00 H new ATOM 0 HE1 PHE A 30 16.089 1.479 -3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 30 15.308 -0.229 -7.038 1.00 0.00 H new ATOM 0 HZ PHE A 30 16.714 1.162 -5.572 1.00 0.00 H new ATOM 502 N LYS A 31 10.134 -0.190 -5.670 1.00 0.00 N ATOM 503 CA LYS A 31 9.905 0.324 -7.015 1.00 0.00 C ATOM 504 C LYS A 31 8.560 1.033 -7.113 1.00 0.00 C ATOM 505 O LYS A 31 8.494 2.220 -7.430 1.00 0.00 O ATOM 506 CB LYS A 31 9.977 -0.809 -8.040 1.00 0.00 C ATOM 507 CG LYS A 31 11.321 -1.525 -8.092 1.00 0.00 C ATOM 508 CD LYS A 31 11.353 -2.559 -9.208 1.00 0.00 C ATOM 509 CE LYS A 31 12.661 -3.338 -9.203 1.00 0.00 C ATOM 510 NZ LYS A 31 12.687 -4.388 -10.258 1.00 0.00 N ATOM 0 H LYS A 31 9.725 -1.107 -5.494 1.00 0.00 H new ATOM 0 HA LYS A 31 10.689 1.049 -7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.199 -1.538 -7.813 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.756 -0.404 -9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.118 -0.797 -8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.513 -2.012 -7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.516 -3.248 -9.092 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.226 -2.063 -10.170 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.493 -2.651 -9.355 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.804 -3.801 -8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.594 -4.895 -10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.908 -5.059 -10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.577 -3.944 -11.192 1.00 0.00 H new ATOM 524 N LEU A 32 7.488 0.297 -6.837 1.00 0.00 N ATOM 525 CA LEU A 32 6.137 0.807 -7.039 1.00 0.00 C ATOM 526 C LEU A 32 5.915 2.103 -6.270 1.00 0.00 C ATOM 527 O LEU A 32 5.594 3.137 -6.858 1.00 0.00 O ATOM 528 CB LEU A 32 5.105 -0.247 -6.617 1.00 0.00 C ATOM 529 CG LEU A 32 3.639 0.193 -6.731 1.00 0.00 C ATOM 530 CD1 LEU A 32 3.286 0.460 -8.188 1.00 0.00 C ATOM 531 CD2 LEU A 32 2.738 -0.885 -6.147 1.00 0.00 C ATOM 0 H LEU A 32 7.529 -0.655 -6.473 1.00 0.00 H new ATOM 0 HA LEU A 32 6.012 1.022 -8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.249 -1.138 -7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.303 -0.533 -5.584 1.00 0.00 H new ATOM 0 HG LEU A 32 3.491 1.116 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.244 0.772 -8.259 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.928 1.249 -8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.433 -0.449 -8.771 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.697 -0.572 -6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.881 -1.816 -6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.990 -1.040 -5.098 1.00 0.00 H new ATOM 543 N ILE A 33 6.090 2.043 -4.955 1.00 0.00 N ATOM 544 CA ILE A 33 5.800 3.180 -4.091 1.00 0.00 C ATOM 545 C ILE A 33 6.715 4.357 -4.404 1.00 0.00 C ATOM 546 O ILE A 33 6.360 5.512 -4.169 1.00 0.00 O ATOM 547 CB ILE A 33 5.944 2.810 -2.603 1.00 0.00 C ATOM 548 CG1 ILE A 33 5.186 3.813 -1.728 1.00 0.00 C ATOM 549 CG2 ILE A 33 7.412 2.759 -2.207 1.00 0.00 C ATOM 550 CD1 ILE A 33 3.687 3.781 -1.924 1.00 0.00 C ATOM 0 H ILE A 33 6.432 1.217 -4.464 1.00 0.00 H new ATOM 0 HA ILE A 33 4.766 3.467 -4.285 1.00 0.00 H new ATOM 0 HB ILE A 33 5.512 1.821 -2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.411 3.610 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.550 4.817 -1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.495 2.496 -1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.926 2.010 -2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.868 3.735 -2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.219 4.518 -1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.451 4.014 -2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.309 2.788 -1.680 1.00 0.00 H new ATOM 562 N ALA A 34 7.896 4.057 -4.934 1.00 0.00 N ATOM 563 CA ALA A 34 8.843 5.092 -5.331 1.00 0.00 C ATOM 564 C ALA A 34 8.385 5.801 -6.601 1.00 0.00 C ATOM 565 O ALA A 34 8.733 6.957 -6.838 1.00 0.00 O ATOM 566 CB ALA A 34 10.229 4.497 -5.522 1.00 0.00 C ATOM 0 H ALA A 34 8.220 3.104 -5.099 1.00 0.00 H new ATOM 0 HA ALA A 34 8.888 5.833 -4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.924 5.282 -5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.565 4.049 -4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.193 3.733 -6.298 1.00 0.00 H new ATOM 572 N ASN A 35 7.604 5.099 -7.413 1.00 0.00 N ATOM 573 CA ASN A 35 7.078 5.666 -8.650 1.00 0.00 C ATOM 574 C ASN A 35 5.944 6.642 -8.368 1.00 0.00 C ATOM 575 O ASN A 35 5.544 7.412 -9.242 1.00 0.00 O ATOM 576 CB ASN A 35 6.613 4.581 -9.604 1.00 0.00 C ATOM 577 CG ASN A 35 7.737 3.803 -10.230 1.00 0.00 C ATOM 578 OD1 ASN A 35 8.879 4.269 -10.299 1.00 0.00 O ATOM 579 ND2 ASN A 35 7.402 2.654 -10.758 1.00 0.00 N ATOM 0 H ASN A 35 7.320 4.135 -7.237 1.00 0.00 H new ATOM 0 HA ASN A 35 7.892 6.211 -9.127 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.961 3.892 -9.067 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.014 5.036 -10.393 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.099 2.099 -11.255 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.444 2.313 -10.673 1.00 0.00 H new ATOM 586 N ALA A 36 5.429 6.606 -7.145 1.00 0.00 N ATOM 587 CA ALA A 36 4.370 7.521 -6.732 1.00 0.00 C ATOM 588 C ALA A 36 4.861 8.963 -6.724 1.00 0.00 C ATOM 589 O ALA A 36 5.963 9.251 -6.257 1.00 0.00 O ATOM 590 CB ALA A 36 3.839 7.131 -5.360 1.00 0.00 C ATOM 0 H ALA A 36 5.727 5.953 -6.421 1.00 0.00 H new ATOM 0 HA ALA A 36 3.558 7.448 -7.456 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.050 7.823 -5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.438 6.118 -5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.649 7.173 -4.631 1.00 0.00 H new ATOM 596 N LYS A 37 4.036 9.866 -7.244 1.00 0.00 N ATOM 597 CA LYS A 37 4.365 11.285 -7.258 1.00 0.00 C ATOM 598 C LYS A 37 3.415 12.081 -6.373 1.00 0.00 C ATOM 599 O LYS A 37 3.727 13.194 -5.952 1.00 0.00 O ATOM 600 CB LYS A 37 4.331 11.828 -8.686 1.00 0.00 C ATOM 601 CG LYS A 37 5.341 11.186 -9.628 1.00 0.00 C ATOM 602 CD LYS A 37 5.241 11.771 -11.030 1.00 0.00 C ATOM 603 CE LYS A 37 6.236 11.118 -11.976 1.00 0.00 C ATOM 604 NZ LYS A 37 6.103 11.630 -13.366 1.00 0.00 N ATOM 0 H LYS A 37 3.134 9.639 -7.662 1.00 0.00 H new ATOM 0 HA LYS A 37 5.374 11.396 -6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.330 11.683 -9.093 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.511 12.903 -8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.349 11.336 -9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.171 10.110 -9.668 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.229 11.633 -11.412 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.424 12.845 -10.992 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.249 11.300 -11.618 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.086 10.038 -11.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.800 11.159 -13.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.144 11.434 -13.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.272 12.656 -13.376 1.00 0.00 H new ATOM 618 N THR A 38 2.251 11.501 -6.093 1.00 0.00 N ATOM 619 CA THR A 38 1.272 12.133 -5.216 1.00 0.00 C ATOM 620 C THR A 38 0.733 11.144 -4.190 1.00 0.00 C ATOM 621 O THR A 38 0.903 9.934 -4.333 1.00 0.00 O ATOM 622 CB THR A 38 0.095 12.723 -6.015 1.00 0.00 C ATOM 623 OG1 THR A 38 -0.650 11.661 -6.625 1.00 0.00 O ATOM 624 CG2 THR A 38 0.602 13.668 -7.093 1.00 0.00 C ATOM 0 H THR A 38 1.963 10.594 -6.461 1.00 0.00 H new ATOM 0 HA THR A 38 1.789 12.942 -4.699 1.00 0.00 H new ATOM 0 HB THR A 38 -0.546 13.280 -5.332 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.400 12.037 -7.132 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.244 14.075 -7.647 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.159 14.483 -6.630 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.255 13.124 -7.776 1.00 0.00 H new ATOM 632 N VAL A 39 0.082 11.668 -3.158 1.00 0.00 N ATOM 633 CA VAL A 39 -0.587 10.830 -2.168 1.00 0.00 C ATOM 634 C VAL A 39 -1.764 10.085 -2.785 1.00 0.00 C ATOM 635 O VAL A 39 -2.180 9.041 -2.285 1.00 0.00 O ATOM 636 CB VAL A 39 -1.086 11.658 -0.971 1.00 0.00 C ATOM 637 CG1 VAL A 39 -2.327 12.452 -1.352 1.00 0.00 C ATOM 638 CG2 VAL A 39 -1.378 10.755 0.218 1.00 0.00 C ATOM 0 H VAL A 39 0.003 12.670 -2.984 1.00 0.00 H new ATOM 0 HA VAL A 39 0.151 10.110 -1.815 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.301 12.359 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.666 13.032 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.089 13.127 -2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.116 11.767 -1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.730 11.358 1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.145 10.031 -0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.468 10.229 0.507 1.00 0.00 H new ATOM 648 N GLU A 40 -2.297 10.629 -3.874 1.00 0.00 N ATOM 649 CA GLU A 40 -3.361 9.966 -4.618 1.00 0.00 C ATOM 650 C GLU A 40 -2.823 8.783 -5.412 1.00 0.00 C ATOM 651 O GLU A 40 -3.491 7.758 -5.546 1.00 0.00 O ATOM 652 CB GLU A 40 -4.056 10.957 -5.554 1.00 0.00 C ATOM 653 CG GLU A 40 -4.872 12.028 -4.845 1.00 0.00 C ATOM 654 CD GLU A 40 -5.452 13.010 -5.824 1.00 0.00 C ATOM 655 OE1 GLU A 40 -5.182 12.885 -6.994 1.00 0.00 O ATOM 656 OE2 GLU A 40 -6.255 13.818 -5.419 1.00 0.00 O ATOM 0 H GLU A 40 -2.009 11.528 -4.261 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.088 9.590 -3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.302 11.443 -6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.712 10.404 -6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.676 11.559 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.241 12.555 -4.129 1.00 0.00 H new ATOM 663 N GLY A 41 -1.611 8.932 -5.938 1.00 0.00 N ATOM 664 CA GLY A 41 -0.912 7.824 -6.579 1.00 0.00 C ATOM 665 C GLY A 41 -0.604 6.716 -5.580 1.00 0.00 C ATOM 666 O GLY A 41 -0.687 5.532 -5.906 1.00 0.00 O ATOM 0 H GLY A 41 -1.092 9.810 -5.933 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.522 7.427 -7.390 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.015 8.184 -7.024 1.00 0.00 H new ATOM 670 N VAL A 42 -0.248 7.108 -4.361 1.00 0.00 N ATOM 671 CA VAL A 42 -0.030 6.152 -3.282 1.00 0.00 C ATOM 672 C VAL A 42 -1.320 5.424 -2.923 1.00 0.00 C ATOM 673 O VAL A 42 -1.320 4.213 -2.706 1.00 0.00 O ATOM 674 CB VAL A 42 0.528 6.839 -2.022 1.00 0.00 C ATOM 675 CG1 VAL A 42 0.548 5.868 -0.850 1.00 0.00 C ATOM 676 CG2 VAL A 42 1.923 7.382 -2.285 1.00 0.00 C ATOM 0 H VAL A 42 -0.104 8.082 -4.096 1.00 0.00 H new ATOM 0 HA VAL A 42 0.702 5.431 -3.645 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.125 7.674 -1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.945 6.370 0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.466 5.523 -0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.179 5.014 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.302 7.864 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.586 6.563 -2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.883 8.109 -3.096 1.00 0.00 H new ATOM 686 N TRP A 43 -2.417 6.170 -2.864 1.00 0.00 N ATOM 687 CA TRP A 43 -3.727 5.585 -2.604 1.00 0.00 C ATOM 688 C TRP A 43 -4.092 4.557 -3.666 1.00 0.00 C ATOM 689 O TRP A 43 -4.567 3.467 -3.351 1.00 0.00 O ATOM 690 CB TRP A 43 -4.795 6.679 -2.542 1.00 0.00 C ATOM 691 CG TRP A 43 -4.630 7.614 -1.382 1.00 0.00 C ATOM 692 CD1 TRP A 43 -3.893 7.394 -0.259 1.00 0.00 C ATOM 693 CD2 TRP A 43 -5.212 8.915 -1.235 1.00 0.00 C ATOM 694 NE1 TRP A 43 -3.979 8.476 0.582 1.00 0.00 N ATOM 695 CE2 TRP A 43 -4.785 9.424 0.004 1.00 0.00 C ATOM 696 CE3 TRP A 43 -6.057 9.698 -2.033 1.00 0.00 C ATOM 697 CZ2 TRP A 43 -5.169 10.673 0.465 1.00 0.00 C ATOM 698 CZ3 TRP A 43 -6.440 10.950 -1.570 1.00 0.00 C ATOM 699 CH2 TRP A 43 -6.008 11.425 -0.357 1.00 0.00 C ATOM 0 H TRP A 43 -2.425 7.182 -2.993 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.682 5.077 -1.641 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.768 7.254 -3.468 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.778 6.212 -2.485 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -3.323 6.499 -0.059 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.519 8.561 1.488 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.404 9.335 -2.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.833 11.048 1.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.091 11.562 -2.177 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.325 12.405 -0.031 1.00 0.00 H new ATOM 710 N THR A 44 -3.868 4.912 -4.927 1.00 0.00 N ATOM 711 CA THR A 44 -4.156 4.013 -6.039 1.00 0.00 C ATOM 712 C THR A 44 -3.301 2.756 -5.967 1.00 0.00 C ATOM 713 O THR A 44 -3.784 1.648 -6.205 1.00 0.00 O ATOM 714 CB THR A 44 -3.926 4.702 -7.396 1.00 0.00 C ATOM 715 OG1 THR A 44 -4.823 5.812 -7.531 1.00 0.00 O ATOM 716 CG2 THR A 44 -4.159 3.723 -8.538 1.00 0.00 C ATOM 0 H THR A 44 -3.488 5.817 -5.205 1.00 0.00 H new ATOM 0 HA THR A 44 -5.207 3.738 -5.956 1.00 0.00 H new ATOM 0 HB THR A 44 -2.895 5.054 -7.437 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.532 6.541 -6.944 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.992 4.228 -9.490 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.468 2.885 -8.445 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.184 3.354 -8.498 1.00 0.00 H new ATOM 724 N TYR A 45 -2.027 2.931 -5.637 1.00 0.00 N ATOM 725 CA TYR A 45 -1.109 1.806 -5.492 1.00 0.00 C ATOM 726 C TYR A 45 -1.567 0.863 -4.386 1.00 0.00 C ATOM 727 O TYR A 45 -1.563 -0.356 -4.557 1.00 0.00 O ATOM 728 CB TYR A 45 0.309 2.304 -5.202 1.00 0.00 C ATOM 729 CG TYR A 45 0.963 3.002 -6.374 1.00 0.00 C ATOM 730 CD1 TYR A 45 0.355 3.026 -7.620 1.00 0.00 C ATOM 731 CD2 TYR A 45 2.189 3.635 -6.230 1.00 0.00 C ATOM 732 CE1 TYR A 45 0.948 3.660 -8.694 1.00 0.00 C ATOM 733 CE2 TYR A 45 2.792 4.273 -7.296 1.00 0.00 C ATOM 734 CZ TYR A 45 2.169 4.285 -8.527 1.00 0.00 C ATOM 735 OH TYR A 45 2.765 4.920 -9.592 1.00 0.00 O ATOM 0 H TYR A 45 -1.605 3.843 -5.464 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.105 1.255 -6.433 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.277 2.989 -4.355 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.928 1.457 -4.904 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.600 2.540 -7.753 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.680 3.629 -5.268 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.461 3.667 -9.658 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.747 4.760 -7.167 1.00 0.00 H new ATOM 0 HH TYR A 45 3.618 5.309 -9.306 1.00 0.00 H new ATOM 745 N LYS A 46 -1.962 1.434 -3.254 1.00 0.00 N ATOM 746 CA LYS A 46 -2.391 0.643 -2.105 1.00 0.00 C ATOM 747 C LYS A 46 -3.597 -0.221 -2.454 1.00 0.00 C ATOM 748 O LYS A 46 -3.716 -1.353 -1.986 1.00 0.00 O ATOM 749 CB LYS A 46 -2.721 1.553 -0.922 1.00 0.00 C ATOM 750 CG LYS A 46 -2.997 0.814 0.381 1.00 0.00 C ATOM 751 CD LYS A 46 -3.266 1.785 1.522 1.00 0.00 C ATOM 752 CE LYS A 46 -3.254 1.077 2.868 1.00 0.00 C ATOM 753 NZ LYS A 46 -3.731 1.960 3.966 1.00 0.00 N ATOM 0 H LYS A 46 -1.994 2.443 -3.106 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.568 -0.015 -1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.891 2.242 -0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.593 2.156 -1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.855 0.154 0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.144 0.183 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.512 2.573 1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.232 2.267 1.371 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.885 0.189 2.816 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.242 0.737 3.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.359 1.616 4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.398 2.931 3.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.771 1.951 3.992 1.00 0.00 H new ATOM 767 N ASP A 47 -4.489 0.320 -3.275 1.00 0.00 N ATOM 768 CA ASP A 47 -5.642 -0.431 -3.757 1.00 0.00 C ATOM 769 C ASP A 47 -5.210 -1.697 -4.485 1.00 0.00 C ATOM 770 O ASP A 47 -5.768 -2.772 -4.266 1.00 0.00 O ATOM 771 CB ASP A 47 -6.503 0.437 -4.677 1.00 0.00 C ATOM 772 CG ASP A 47 -7.291 1.525 -3.958 1.00 0.00 C ATOM 773 OD1 ASP A 47 -7.358 1.485 -2.753 1.00 0.00 O ATOM 774 OD2 ASP A 47 -7.684 2.468 -4.603 1.00 0.00 O ATOM 0 H ASP A 47 -4.436 1.278 -3.622 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.235 -0.722 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.860 0.904 -5.423 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.201 -0.205 -5.215 1.00 0.00 H new ATOM 779 N GLU A 48 -4.214 -1.562 -5.354 1.00 0.00 N ATOM 780 CA GLU A 48 -3.668 -2.706 -6.076 1.00 0.00 C ATOM 781 C GLU A 48 -2.855 -3.605 -5.152 1.00 0.00 C ATOM 782 O GLU A 48 -2.843 -4.825 -5.312 1.00 0.00 O ATOM 783 CB GLU A 48 -2.802 -2.236 -7.247 1.00 0.00 C ATOM 784 CG GLU A 48 -3.576 -1.569 -8.375 1.00 0.00 C ATOM 785 CD GLU A 48 -2.652 -1.065 -9.449 1.00 0.00 C ATOM 786 OE1 GLU A 48 -1.462 -1.190 -9.288 1.00 0.00 O ATOM 787 OE2 GLU A 48 -3.137 -0.659 -10.479 1.00 0.00 O ATOM 0 H GLU A 48 -3.768 -0.672 -5.576 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.506 -3.285 -6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.055 -1.536 -6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.262 -3.093 -7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.282 -2.280 -8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.161 -0.740 -7.977 1.00 0.00 H new ATOM 794 N ILE A 49 -2.179 -2.994 -4.186 1.00 0.00 N ATOM 795 CA ILE A 49 -1.367 -3.738 -3.230 1.00 0.00 C ATOM 796 C ILE A 49 -2.231 -4.635 -2.354 1.00 0.00 C ATOM 797 O ILE A 49 -1.838 -5.752 -2.013 1.00 0.00 O ATOM 798 CB ILE A 49 -0.543 -2.797 -2.334 1.00 0.00 C ATOM 799 CG1 ILE A 49 0.546 -2.098 -3.152 1.00 0.00 C ATOM 800 CG2 ILE A 49 0.069 -3.567 -1.174 1.00 0.00 C ATOM 801 CD1 ILE A 49 1.210 -0.949 -2.428 1.00 0.00 C ATOM 0 H ILE A 49 -2.177 -1.984 -4.044 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.684 -4.356 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.208 -2.036 -1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.306 -2.829 -3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.109 -1.727 -4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.648 -2.886 -0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.724 -4.018 -0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.722 -4.349 -1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.970 -0.504 -3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.462 -0.197 -2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.678 -1.316 -1.514 1.00 0.00 H new ATOM 813 N LYS A 50 -3.408 -4.140 -1.989 1.00 0.00 N ATOM 814 CA LYS A 50 -4.393 -4.949 -1.280 1.00 0.00 C ATOM 815 C LYS A 50 -4.670 -6.251 -2.018 1.00 0.00 C ATOM 816 O LYS A 50 -4.676 -7.327 -1.418 1.00 0.00 O ATOM 817 CB LYS A 50 -5.694 -4.165 -1.092 1.00 0.00 C ATOM 818 CG LYS A 50 -6.779 -4.920 -0.337 1.00 0.00 C ATOM 819 CD LYS A 50 -8.014 -4.055 -0.129 1.00 0.00 C ATOM 820 CE LYS A 50 -8.636 -3.649 -1.457 1.00 0.00 C ATOM 821 NZ LYS A 50 -9.879 -2.852 -1.267 1.00 0.00 N ATOM 0 H LYS A 50 -3.704 -3.181 -2.172 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.981 -5.193 -0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.473 -3.241 -0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.079 -3.883 -2.072 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.051 -5.819 -0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.393 -5.245 0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.746 -4.600 0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.745 -3.163 0.436 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.916 -3.067 -2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.863 -4.542 -2.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.216 -2.509 -2.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.611 -3.449 -0.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.680 -2.040 -0.648 1.00 0.00 H new ATOM 835 N THR A 51 -4.897 -6.150 -3.323 1.00 0.00 N ATOM 836 CA THR A 51 -5.058 -7.329 -4.166 1.00 0.00 C ATOM 837 C THR A 51 -3.835 -8.234 -4.087 1.00 0.00 C ATOM 838 O THR A 51 -3.960 -9.457 -4.031 1.00 0.00 O ATOM 839 CB THR A 51 -5.303 -6.942 -5.637 1.00 0.00 C ATOM 840 OG1 THR A 51 -6.519 -6.190 -5.740 1.00 0.00 O ATOM 841 CG2 THR A 51 -5.404 -8.186 -6.505 1.00 0.00 C ATOM 0 H THR A 51 -4.974 -5.263 -3.820 1.00 0.00 H new ATOM 0 HA THR A 51 -5.929 -7.867 -3.791 1.00 0.00 H new ATOM 0 HB THR A 51 -4.465 -6.338 -5.983 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.673 -5.943 -6.676 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.577 -7.894 -7.541 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.475 -8.753 -6.438 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.232 -8.805 -6.159 1.00 0.00 H new ATOM 849 N PHE A 52 -2.654 -7.626 -4.083 1.00 0.00 N ATOM 850 CA PHE A 52 -1.409 -8.374 -3.959 1.00 0.00 C ATOM 851 C PHE A 52 -1.370 -9.170 -2.661 1.00 0.00 C ATOM 852 O PHE A 52 -0.960 -10.330 -2.646 1.00 0.00 O ATOM 853 CB PHE A 52 -0.209 -7.426 -4.030 1.00 0.00 C ATOM 854 CG PHE A 52 -0.127 -6.646 -5.312 1.00 0.00 C ATOM 855 CD1 PHE A 52 -0.945 -6.962 -6.386 1.00 0.00 C ATOM 856 CD2 PHE A 52 0.766 -5.594 -5.445 1.00 0.00 C ATOM 857 CE1 PHE A 52 -0.872 -6.244 -7.564 1.00 0.00 C ATOM 858 CE2 PHE A 52 0.842 -4.875 -6.622 1.00 0.00 C ATOM 859 CZ PHE A 52 0.021 -5.201 -7.682 1.00 0.00 C ATOM 0 H PHE A 52 -2.533 -6.616 -4.164 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.358 -9.077 -4.790 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.259 -6.729 -3.194 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.707 -8.004 -3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.647 -7.778 -6.301 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.410 -5.333 -4.618 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.515 -6.500 -8.393 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.543 -4.059 -6.712 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.078 -4.640 -8.603 1.00 0.00 H new ATOM 869 N THR A 53 -1.802 -8.541 -1.574 1.00 0.00 N ATOM 870 CA THR A 53 -1.885 -9.213 -0.282 1.00 0.00 C ATOM 871 C THR A 53 -2.813 -10.419 -0.348 1.00 0.00 C ATOM 872 O THR A 53 -2.503 -11.482 0.194 1.00 0.00 O ATOM 873 CB THR A 53 -2.379 -8.258 0.820 1.00 0.00 C ATOM 874 OG1 THR A 53 -1.474 -7.154 0.940 1.00 0.00 O ATOM 875 CG2 THR A 53 -2.468 -8.983 2.153 1.00 0.00 C ATOM 0 H THR A 53 -2.101 -7.566 -1.561 1.00 0.00 H new ATOM 0 HA THR A 53 -0.877 -9.547 -0.036 1.00 0.00 H new ATOM 0 HB THR A 53 -3.371 -7.896 0.548 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.809 -6.528 1.615 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.819 -8.293 2.920 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.166 -9.816 2.068 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.483 -9.361 2.428 1.00 0.00 H new ATOM 883 N VAL A 54 -3.951 -10.250 -1.013 1.00 0.00 N ATOM 884 CA VAL A 54 -4.934 -11.319 -1.133 1.00 0.00 C ATOM 885 C VAL A 54 -4.382 -12.488 -1.939 1.00 0.00 C ATOM 886 O VAL A 54 -4.599 -13.649 -1.596 1.00 0.00 O ATOM 887 CB VAL A 54 -6.233 -10.822 -1.792 1.00 0.00 C ATOM 888 CG1 VAL A 54 -7.162 -11.989 -2.089 1.00 0.00 C ATOM 889 CG2 VAL A 54 -6.928 -9.804 -0.900 1.00 0.00 C ATOM 0 H VAL A 54 -4.215 -9.381 -1.478 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.157 -11.654 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.976 -10.338 -2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.075 -11.618 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.667 -12.685 -2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.411 -12.501 -1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.844 -9.464 -1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.171 -10.265 0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.267 -8.953 -0.735 1.00 0.00 H new ATOM 899 N THR A 55 -3.669 -12.172 -3.014 1.00 0.00 N ATOM 900 CA THR A 55 -3.140 -13.194 -3.911 1.00 0.00 C ATOM 901 C THR A 55 -1.899 -13.854 -3.323 1.00 0.00 C ATOM 902 O THR A 55 -1.525 -14.958 -3.719 1.00 0.00 O ATOM 903 CB THR A 55 -2.793 -12.610 -5.293 1.00 0.00 C ATOM 904 OG1 THR A 55 -1.823 -11.564 -5.142 1.00 0.00 O ATOM 905 CG2 THR A 55 -4.037 -12.051 -5.963 1.00 0.00 C ATOM 0 H THR A 55 -3.443 -11.215 -3.286 1.00 0.00 H new ATOM 0 HA THR A 55 -3.924 -13.942 -4.030 1.00 0.00 H new ATOM 0 HB THR A 55 -2.385 -13.406 -5.916 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.682 -11.384 -4.189 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.773 -11.643 -6.938 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.771 -12.847 -6.090 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.461 -11.262 -5.342 1.00 0.00 H new ATOM 913 N GLU A 56 -1.263 -13.170 -2.377 1.00 0.00 N ATOM 914 CA GLU A 56 -0.103 -13.718 -1.684 1.00 0.00 C ATOM 915 C GLU A 56 -0.518 -14.477 -0.430 1.00 0.00 C ATOM 916 O GLU A 56 -0.934 -15.600 -0.519 1.00 0.00 O ATOM 917 CB GLU A 56 0.880 -12.604 -1.322 1.00 0.00 C ATOM 918 CG GLU A 56 1.646 -12.032 -2.507 1.00 0.00 C ATOM 919 CD GLU A 56 2.502 -13.079 -3.162 1.00 0.00 C ATOM 920 OE1 GLU A 56 3.241 -13.735 -2.468 1.00 0.00 O ATOM 921 OE2 GLU A 56 2.336 -13.303 -4.338 1.00 0.00 O ATOM 922 OXT GLU A 56 -0.429 -13.954 0.646 1.00 0.00 O ATOM 0 H GLU A 56 -1.532 -12.234 -2.073 1.00 0.00 H new ATOM 0 HA GLU A 56 0.388 -14.418 -2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.333 -11.797 -0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.595 -12.989 -0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.943 -11.626 -3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.272 -11.205 -2.173 1.00 0.00 H new TER 929 GLU A 56