USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 594 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 Single : A 3 THR OG1 : rot 180:sc= 0.323 USER MOD Single : A 4 GLN : amide:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : A 16 ASN : amide:sc= -11.4! C(o=-11!,f=-11!) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= -0.0186 (180deg=-0.186) USER MOD Single : A 30 LYS NZ :NH3+ 168:sc= 1.2 (180deg=1.16) USER MOD Single : A 31 SER OG : rot 180:sc= -0.622 USER MOD Single : A 33 THR OG1 : rot 58:sc= 1.22 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -165:sc= -1.81! USER MOD Single : A 43 MET CE :methyl 173:sc= -5.39! (180deg=-5.58!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 1.12 K(o=1.1,f=-0.15) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -80:sc= 1.66 USER MOD Single : A 73 THR OG1 : rot 74:sc= 0.717 USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0876) USER MOD Single : A 75 TYR OH : rot -145:sc= 0.29 USER MOD Single : A 79 HIS :FLIP no HE2:sc= 0.222 F(o=-0.78,f=0.22) USER MOD Single : A 80 GLN :FLIP amide:sc= -2.77! F(o=-3.7,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 3 10.617 -8.556 -0.499 1.00 0.54 N ATOM 24 CA THR A 3 10.125 -8.346 -1.831 1.00 0.48 C ATOM 25 C THR A 3 8.602 -8.197 -1.782 1.00 0.35 C ATOM 26 O THR A 3 8.029 -8.085 -0.698 1.00 0.35 O ATOM 27 CB THR A 3 10.570 -9.510 -2.797 1.00 0.59 C ATOM 28 OG1 THR A 3 10.187 -9.237 -4.151 1.00 0.66 O ATOM 29 CG2 THR A 3 9.991 -10.848 -2.361 1.00 0.66 C ATOM 0 HA THR A 3 10.555 -7.430 -2.235 1.00 0.48 H new ATOM 0 HB THR A 3 11.657 -9.568 -2.744 1.00 0.59 H new ATOM 0 HG1 THR A 3 10.477 -9.974 -4.728 1.00 0.66 H new ATOM 0 HG21 THR A 3 10.318 -11.628 -3.049 1.00 0.66 H new ATOM 0 HG22 THR A 3 10.337 -11.084 -1.355 1.00 0.66 H new ATOM 0 HG23 THR A 3 8.902 -10.793 -2.366 1.00 0.66 H new ATOM 37 N GLN A 4 7.977 -8.208 -2.934 1.00 0.32 N ATOM 38 CA GLN A 4 6.527 -8.073 -3.095 1.00 0.28 C ATOM 39 C GLN A 4 5.729 -9.056 -2.230 1.00 0.27 C ATOM 40 O GLN A 4 4.699 -8.681 -1.670 1.00 0.26 O ATOM 41 CB GLN A 4 6.136 -8.167 -4.586 1.00 0.33 C ATOM 42 CG GLN A 4 4.636 -8.103 -4.870 1.00 0.37 C ATOM 43 CD GLN A 4 4.014 -9.452 -5.175 1.00 0.39 C ATOM 44 OE1 GLN A 4 3.948 -9.861 -6.331 1.00 0.74 O ATOM 45 NE2 GLN A 4 3.533 -10.129 -4.173 1.00 0.48 N ATOM 0 H GLN A 4 8.468 -8.314 -3.822 1.00 0.32 H new ATOM 0 HA GLN A 4 6.257 -7.082 -2.731 1.00 0.28 H new ATOM 0 HB2 GLN A 4 6.627 -7.357 -5.126 1.00 0.33 H new ATOM 0 HB3 GLN A 4 6.527 -9.101 -4.989 1.00 0.33 H new ATOM 0 HG2 GLN A 4 4.131 -7.667 -4.008 1.00 0.37 H new ATOM 0 HG3 GLN A 4 4.463 -7.434 -5.713 1.00 0.37 H new ATOM 0 HE21 GLN A 4 3.606 -9.758 -3.225 1.00 0.48 H new ATOM 0 HE22 GLN A 4 3.084 -11.030 -4.335 1.00 0.48 H new ATOM 54 N GLU A 5 6.196 -10.290 -2.127 1.00 0.33 N ATOM 55 CA GLU A 5 5.552 -11.321 -1.288 1.00 0.40 C ATOM 56 C GLU A 5 5.501 -10.935 0.198 1.00 0.39 C ATOM 57 O GLU A 5 4.678 -11.433 0.956 1.00 0.55 O ATOM 58 CB GLU A 5 6.235 -12.663 -1.477 1.00 0.57 C ATOM 59 CG GLU A 5 5.990 -13.281 -2.837 1.00 0.85 C ATOM 60 CD GLU A 5 4.552 -13.695 -3.034 1.00 1.88 C ATOM 61 OE1 GLU A 5 4.149 -14.806 -2.594 1.00 2.37 O ATOM 62 OE2 GLU A 5 3.791 -12.901 -3.608 1.00 2.66 O ATOM 0 H GLU A 5 7.029 -10.617 -2.616 1.00 0.33 H new ATOM 0 HA GLU A 5 4.517 -11.400 -1.621 1.00 0.40 H new ATOM 0 HB2 GLU A 5 7.308 -12.539 -1.331 1.00 0.57 H new ATOM 0 HB3 GLU A 5 5.886 -13.351 -0.706 1.00 0.57 H new ATOM 0 HG2 GLU A 5 6.268 -12.567 -3.612 1.00 0.85 H new ATOM 0 HG3 GLU A 5 6.635 -14.151 -2.958 1.00 0.85 H new ATOM 69 N GLU A 6 6.385 -10.076 0.603 1.00 0.36 N ATOM 70 CA GLU A 6 6.391 -9.550 1.946 1.00 0.42 C ATOM 71 C GLU A 6 5.395 -8.405 2.034 1.00 0.32 C ATOM 72 O GLU A 6 4.630 -8.286 3.000 1.00 0.37 O ATOM 73 CB GLU A 6 7.799 -9.030 2.283 1.00 0.55 C ATOM 74 CG GLU A 6 7.893 -8.225 3.566 1.00 0.82 C ATOM 75 CD GLU A 6 9.255 -7.617 3.765 1.00 1.75 C ATOM 76 OE1 GLU A 6 9.661 -6.737 2.961 1.00 2.73 O ATOM 77 OE2 GLU A 6 9.951 -7.985 4.725 1.00 2.05 O ATOM 0 H GLU A 6 7.132 -9.713 0.011 1.00 0.36 H new ATOM 0 HA GLU A 6 6.115 -10.334 2.652 1.00 0.42 H new ATOM 0 HB2 GLU A 6 8.477 -9.880 2.354 1.00 0.55 H new ATOM 0 HB3 GLU A 6 8.149 -8.411 1.457 1.00 0.55 H new ATOM 0 HG2 GLU A 6 7.144 -7.433 3.550 1.00 0.82 H new ATOM 0 HG3 GLU A 6 7.659 -8.869 4.414 1.00 0.82 H new ATOM 84 N ILE A 7 5.375 -7.613 0.987 1.00 0.21 N ATOM 85 CA ILE A 7 4.647 -6.381 0.963 1.00 0.16 C ATOM 86 C ILE A 7 3.162 -6.612 0.780 1.00 0.14 C ATOM 87 O ILE A 7 2.405 -6.378 1.675 1.00 0.18 O ATOM 88 CB ILE A 7 5.178 -5.542 -0.199 1.00 0.13 C ATOM 89 CG1 ILE A 7 6.668 -5.313 0.004 1.00 0.18 C ATOM 90 CG2 ILE A 7 4.433 -4.218 -0.283 1.00 0.17 C ATOM 91 CD1 ILE A 7 7.371 -4.750 -1.193 1.00 0.23 C ATOM 0 H ILE A 7 5.873 -7.816 0.120 1.00 0.21 H new ATOM 0 HA ILE A 7 4.785 -5.869 1.915 1.00 0.16 H new ATOM 0 HB ILE A 7 5.018 -6.071 -1.139 1.00 0.13 H new ATOM 0 HG12 ILE A 7 6.809 -4.635 0.846 1.00 0.18 H new ATOM 0 HG13 ILE A 7 7.136 -6.259 0.275 1.00 0.18 H new ATOM 0 HG21 ILE A 7 4.824 -3.633 -1.116 1.00 0.17 H new ATOM 0 HG22 ILE A 7 3.371 -4.407 -0.439 1.00 0.17 H new ATOM 0 HG23 ILE A 7 4.570 -3.664 0.646 1.00 0.17 H new ATOM 0 HD11 ILE A 7 8.429 -4.617 -0.965 1.00 0.23 H new ATOM 0 HD12 ILE A 7 7.265 -5.436 -2.033 1.00 0.23 H new ATOM 0 HD13 ILE A 7 6.932 -3.787 -1.453 1.00 0.23 H new ATOM 103 N VAL A 8 2.769 -7.107 -0.357 1.00 0.13 N ATOM 104 CA VAL A 8 1.356 -7.316 -0.674 1.00 0.15 C ATOM 105 C VAL A 8 0.664 -8.199 0.338 1.00 0.18 C ATOM 106 O VAL A 8 -0.440 -7.876 0.768 1.00 0.25 O ATOM 107 CB VAL A 8 1.167 -7.826 -2.118 1.00 0.18 C ATOM 108 CG1 VAL A 8 -0.294 -8.030 -2.456 1.00 0.27 C ATOM 109 CG2 VAL A 8 1.791 -6.854 -3.083 1.00 0.17 C ATOM 0 H VAL A 8 3.408 -7.383 -1.103 1.00 0.13 H new ATOM 0 HA VAL A 8 0.870 -6.342 -0.612 1.00 0.15 H new ATOM 0 HB VAL A 8 1.660 -8.795 -2.200 1.00 0.18 H new ATOM 0 HG11 VAL A 8 -0.384 -8.389 -3.481 1.00 0.27 H new ATOM 0 HG12 VAL A 8 -0.726 -8.764 -1.775 1.00 0.27 H new ATOM 0 HG13 VAL A 8 -0.826 -7.084 -2.355 1.00 0.27 H new ATOM 0 HG21 VAL A 8 1.656 -7.216 -4.102 1.00 0.17 H new ATOM 0 HG22 VAL A 8 1.314 -5.880 -2.978 1.00 0.17 H new ATOM 0 HG23 VAL A 8 2.856 -6.761 -2.869 1.00 0.17 H new ATOM 119 N ALA A 9 1.323 -9.258 0.750 1.00 0.18 N ATOM 120 CA ALA A 9 0.785 -10.134 1.770 1.00 0.22 C ATOM 121 C ALA A 9 0.467 -9.363 3.058 1.00 0.21 C ATOM 122 O ALA A 9 -0.563 -9.602 3.684 1.00 0.27 O ATOM 123 CB ALA A 9 1.743 -11.274 2.054 1.00 0.26 C ATOM 0 H ALA A 9 2.237 -9.536 0.393 1.00 0.18 H new ATOM 0 HA ALA A 9 -0.149 -10.551 1.392 1.00 0.22 H new ATOM 0 HB1 ALA A 9 1.321 -11.921 2.823 1.00 0.26 H new ATOM 0 HB2 ALA A 9 1.903 -11.850 1.143 1.00 0.26 H new ATOM 0 HB3 ALA A 9 2.695 -10.872 2.401 1.00 0.26 H new ATOM 129 N GLY A 10 1.322 -8.411 3.419 1.00 0.18 N ATOM 130 CA GLY A 10 1.119 -7.678 4.600 1.00 0.18 C ATOM 131 C GLY A 10 0.207 -6.522 4.417 1.00 0.15 C ATOM 132 O GLY A 10 -0.642 -6.251 5.258 1.00 0.16 O ATOM 0 H GLY A 10 2.154 -8.151 2.890 1.00 0.18 H new ATOM 0 HA2 GLY A 10 0.710 -8.338 5.365 1.00 0.18 H new ATOM 0 HA3 GLY A 10 2.080 -7.320 4.968 1.00 0.18 H new ATOM 136 N LEU A 11 0.364 -5.858 3.303 1.00 0.14 N ATOM 137 CA LEU A 11 -0.373 -4.685 2.974 1.00 0.13 C ATOM 138 C LEU A 11 -1.838 -5.036 2.868 1.00 0.14 C ATOM 139 O LEU A 11 -2.674 -4.306 3.362 1.00 0.16 O ATOM 140 CB LEU A 11 0.145 -4.116 1.662 1.00 0.13 C ATOM 141 CG LEU A 11 0.353 -2.602 1.598 1.00 0.15 C ATOM 142 CD1 LEU A 11 0.896 -2.209 0.242 1.00 0.18 C ATOM 143 CD2 LEU A 11 -0.932 -1.859 1.889 1.00 0.20 C ATOM 0 H LEU A 11 1.031 -6.134 2.582 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.249 -3.930 3.751 1.00 0.13 H new ATOM 0 HB2 LEU A 11 1.095 -4.599 1.435 1.00 0.13 H new ATOM 0 HB3 LEU A 11 -0.552 -4.396 0.872 1.00 0.13 H new ATOM 0 HG LEU A 11 1.078 -2.326 2.364 1.00 0.15 H new ATOM 0 HD11 LEU A 11 1.040 -1.129 0.207 1.00 0.18 H new ATOM 0 HD12 LEU A 11 1.850 -2.708 0.073 1.00 0.18 H new ATOM 0 HD13 LEU A 11 0.189 -2.506 -0.533 1.00 0.18 H new ATOM 0 HD21 LEU A 11 -0.752 -0.785 1.836 1.00 0.20 H new ATOM 0 HD22 LEU A 11 -1.687 -2.137 1.154 1.00 0.20 H new ATOM 0 HD23 LEU A 11 -1.284 -2.119 2.887 1.00 0.20 H new ATOM 155 N ALA A 12 -2.128 -6.196 2.257 1.00 0.12 N ATOM 156 CA ALA A 12 -3.487 -6.703 2.147 1.00 0.13 C ATOM 157 C ALA A 12 -4.118 -6.745 3.503 1.00 0.11 C ATOM 158 O ALA A 12 -5.204 -6.211 3.689 1.00 0.13 O ATOM 159 CB ALA A 12 -3.501 -8.099 1.545 1.00 0.14 C ATOM 0 H ALA A 12 -1.424 -6.799 1.831 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.049 -6.036 1.493 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.529 -8.454 1.474 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.057 -8.071 0.550 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -2.927 -8.774 2.179 1.00 0.14 H new ATOM 165 N GLU A 13 -3.388 -7.305 4.458 1.00 0.12 N ATOM 166 CA GLU A 13 -3.857 -7.451 5.815 1.00 0.13 C ATOM 167 C GLU A 13 -4.123 -6.121 6.467 1.00 0.15 C ATOM 168 O GLU A 13 -5.153 -5.934 7.106 1.00 0.19 O ATOM 169 CB GLU A 13 -2.919 -8.316 6.629 1.00 0.18 C ATOM 170 CG GLU A 13 -2.829 -9.721 6.085 1.00 0.23 C ATOM 171 CD GLU A 13 -1.891 -10.599 6.863 1.00 0.36 C ATOM 172 OE1 GLU A 13 -0.677 -10.554 6.613 1.00 0.52 O ATOM 173 OE2 GLU A 13 -2.327 -11.346 7.751 1.00 0.68 O ATOM 0 H GLU A 13 -2.448 -7.671 4.304 1.00 0.12 H new ATOM 0 HA GLU A 13 -4.816 -7.967 5.777 1.00 0.13 H new ATOM 0 HB2 GLU A 13 -1.926 -7.866 6.637 1.00 0.18 H new ATOM 0 HB3 GLU A 13 -3.262 -8.349 7.663 1.00 0.18 H new ATOM 0 HG2 GLU A 13 -3.823 -10.169 6.089 1.00 0.23 H new ATOM 0 HG3 GLU A 13 -2.501 -9.681 5.046 1.00 0.23 H new ATOM 180 N ILE A 14 -3.236 -5.184 6.249 1.00 0.14 N ATOM 181 CA ILE A 14 -3.412 -3.826 6.768 1.00 0.17 C ATOM 182 C ILE A 14 -4.713 -3.209 6.214 1.00 0.18 C ATOM 183 O ILE A 14 -5.484 -2.579 6.941 1.00 0.22 O ATOM 184 CB ILE A 14 -2.220 -2.946 6.364 1.00 0.21 C ATOM 185 CG1 ILE A 14 -0.935 -3.568 6.883 1.00 0.21 C ATOM 186 CG2 ILE A 14 -2.389 -1.548 6.937 1.00 0.28 C ATOM 187 CD1 ILE A 14 0.297 -3.056 6.217 1.00 0.25 C ATOM 0 H ILE A 14 -2.378 -5.324 5.716 1.00 0.14 H new ATOM 0 HA ILE A 14 -3.471 -3.877 7.855 1.00 0.17 H new ATOM 0 HB ILE A 14 -2.174 -2.876 5.277 1.00 0.21 H new ATOM 0 HG12 ILE A 14 -0.860 -3.383 7.955 1.00 0.21 H new ATOM 0 HG13 ILE A 14 -0.986 -4.649 6.749 1.00 0.21 H new ATOM 0 HG21 ILE A 14 -1.539 -0.930 6.646 1.00 0.28 H new ATOM 0 HG22 ILE A 14 -3.308 -1.106 6.552 1.00 0.28 H new ATOM 0 HG23 ILE A 14 -2.441 -1.604 8.024 1.00 0.28 H new ATOM 0 HD11 ILE A 14 1.172 -3.548 6.642 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.247 -3.265 5.148 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.374 -1.980 6.373 1.00 0.25 H new ATOM 199 N VAL A 15 -4.989 -3.474 4.945 1.00 0.15 N ATOM 200 CA VAL A 15 -6.153 -2.920 4.271 1.00 0.17 C ATOM 201 C VAL A 15 -7.441 -3.558 4.844 1.00 0.18 C ATOM 202 O VAL A 15 -8.542 -2.975 4.806 1.00 0.22 O ATOM 203 CB VAL A 15 -6.097 -3.171 2.728 1.00 0.17 C ATOM 204 CG1 VAL A 15 -7.253 -2.529 2.031 1.00 0.27 C ATOM 205 CG2 VAL A 15 -4.836 -2.634 2.144 1.00 0.23 C ATOM 0 H VAL A 15 -4.414 -4.077 4.356 1.00 0.15 H new ATOM 0 HA VAL A 15 -6.157 -1.844 4.443 1.00 0.17 H new ATOM 0 HB VAL A 15 -6.139 -4.250 2.583 1.00 0.17 H new ATOM 0 HG11 VAL A 15 -7.185 -2.722 0.960 1.00 0.27 H new ATOM 0 HG12 VAL A 15 -8.185 -2.943 2.416 1.00 0.27 H new ATOM 0 HG13 VAL A 15 -7.233 -1.454 2.208 1.00 0.27 H new ATOM 0 HG21 VAL A 15 -4.823 -2.822 1.070 1.00 0.23 H new ATOM 0 HG22 VAL A 15 -4.779 -1.561 2.325 1.00 0.23 H new ATOM 0 HG23 VAL A 15 -3.981 -3.126 2.609 1.00 0.23 H new ATOM 215 N ASN A 16 -7.282 -4.741 5.410 1.00 0.16 N ATOM 216 CA ASN A 16 -8.409 -5.490 5.985 1.00 0.20 C ATOM 217 C ASN A 16 -8.739 -4.889 7.330 1.00 0.25 C ATOM 218 O ASN A 16 -9.896 -4.799 7.722 1.00 0.34 O ATOM 219 CB ASN A 16 -8.076 -6.983 6.241 1.00 0.20 C ATOM 220 CG ASN A 16 -7.368 -7.713 5.155 1.00 0.19 C ATOM 221 OD1 ASN A 16 -6.568 -8.575 5.430 1.00 0.21 O ATOM 222 ND2 ASN A 16 -7.706 -7.465 3.938 1.00 0.27 N ATOM 0 H ASN A 16 -6.382 -5.214 5.489 1.00 0.16 H new ATOM 0 HA ASN A 16 -9.229 -5.431 5.270 1.00 0.20 H new ATOM 0 HB2 ASN A 16 -7.467 -7.044 7.143 1.00 0.20 H new ATOM 0 HB3 ASN A 16 -9.009 -7.507 6.449 1.00 0.20 H new ATOM 0 HD21 ASN A 16 -7.295 -8.003 3.175 1.00 0.27 H new ATOM 0 HD22 ASN A 16 -8.385 -6.731 3.737 1.00 0.27 H new ATOM 229 N GLU A 17 -7.697 -4.499 8.032 1.00 0.26 N ATOM 230 CA GLU A 17 -7.796 -3.953 9.370 1.00 0.35 C ATOM 231 C GLU A 17 -8.332 -2.540 9.348 1.00 0.38 C ATOM 232 O GLU A 17 -9.334 -2.235 9.993 1.00 0.47 O ATOM 233 CB GLU A 17 -6.420 -3.964 10.025 1.00 0.41 C ATOM 234 CG GLU A 17 -5.782 -5.334 10.084 1.00 0.46 C ATOM 235 CD GLU A 17 -6.604 -6.310 10.865 1.00 1.22 C ATOM 236 OE1 GLU A 17 -6.533 -6.298 12.110 1.00 1.35 O ATOM 237 OE2 GLU A 17 -7.338 -7.108 10.246 1.00 2.07 O ATOM 0 H GLU A 17 -6.740 -4.553 7.683 1.00 0.26 H new ATOM 0 HA GLU A 17 -8.488 -4.571 9.941 1.00 0.35 H new ATOM 0 HB2 GLU A 17 -5.762 -3.290 9.476 1.00 0.41 H new ATOM 0 HB3 GLU A 17 -6.507 -3.570 11.038 1.00 0.41 H new ATOM 0 HG2 GLU A 17 -5.641 -5.710 9.071 1.00 0.46 H new ATOM 0 HG3 GLU A 17 -4.793 -5.253 10.535 1.00 0.46 H new ATOM 244 N ILE A 18 -7.661 -1.691 8.594 1.00 0.32 N ATOM 245 CA ILE A 18 -7.995 -0.276 8.515 1.00 0.38 C ATOM 246 C ILE A 18 -9.394 -0.078 7.909 1.00 0.39 C ATOM 247 O ILE A 18 -10.238 0.598 8.490 1.00 0.43 O ATOM 248 CB ILE A 18 -6.958 0.455 7.629 1.00 0.45 C ATOM 249 CG1 ILE A 18 -5.522 0.246 8.157 1.00 0.47 C ATOM 250 CG2 ILE A 18 -7.278 1.940 7.558 1.00 0.65 C ATOM 251 CD1 ILE A 18 -5.179 0.971 9.441 1.00 0.58 C ATOM 0 H ILE A 18 -6.865 -1.961 8.016 1.00 0.32 H new ATOM 0 HA ILE A 18 -7.983 0.134 9.525 1.00 0.38 H new ATOM 0 HB ILE A 18 -7.015 0.029 6.627 1.00 0.45 H new ATOM 0 HG12 ILE A 18 -5.364 -0.821 8.311 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -4.822 0.564 7.385 1.00 0.47 H new ATOM 0 HG21 ILE A 18 -6.540 2.442 6.932 1.00 0.65 H new ATOM 0 HG22 ILE A 18 -8.271 2.078 7.131 1.00 0.65 H new ATOM 0 HG23 ILE A 18 -7.252 2.366 8.561 1.00 0.65 H new ATOM 0 HD11 ILE A 18 -4.148 0.752 9.718 1.00 0.58 H new ATOM 0 HD12 ILE A 18 -5.296 2.045 9.295 1.00 0.58 H new ATOM 0 HD13 ILE A 18 -5.846 0.638 10.236 1.00 0.58 H new ATOM 263 N ALA A 19 -9.628 -0.660 6.749 1.00 0.39 N ATOM 264 CA ALA A 19 -10.909 -0.505 6.097 1.00 0.44 C ATOM 265 C ALA A 19 -11.748 -1.757 6.273 1.00 0.41 C ATOM 266 O ALA A 19 -12.571 -1.841 7.183 1.00 0.54 O ATOM 267 CB ALA A 19 -10.738 -0.148 4.623 1.00 0.48 C ATOM 0 H ALA A 19 -8.955 -1.238 6.245 1.00 0.39 H new ATOM 0 HA ALA A 19 -11.437 0.323 6.570 1.00 0.44 H new ATOM 0 HB1 ALA A 19 -11.718 -0.038 4.159 1.00 0.48 H new ATOM 0 HB2 ALA A 19 -10.189 0.789 4.537 1.00 0.48 H new ATOM 0 HB3 ALA A 19 -10.185 -0.940 4.119 1.00 0.48 H new ATOM 273 N GLY A 20 -11.520 -2.729 5.437 1.00 0.34 N ATOM 274 CA GLY A 20 -12.244 -3.969 5.557 1.00 0.33 C ATOM 275 C GLY A 20 -12.182 -4.780 4.309 1.00 0.32 C ATOM 276 O GLY A 20 -13.188 -5.306 3.837 1.00 0.43 O ATOM 0 H GLY A 20 -10.847 -2.692 4.672 1.00 0.34 H new ATOM 0 HA2 GLY A 20 -11.835 -4.548 6.385 1.00 0.33 H new ATOM 0 HA3 GLY A 20 -13.285 -3.758 5.800 1.00 0.33 H new ATOM 280 N ILE A 21 -11.011 -4.873 3.756 1.00 0.27 N ATOM 281 CA ILE A 21 -10.808 -5.671 2.577 1.00 0.26 C ATOM 282 C ILE A 21 -10.730 -7.160 2.955 1.00 0.25 C ATOM 283 O ILE A 21 -10.385 -7.489 4.072 1.00 0.24 O ATOM 284 CB ILE A 21 -9.573 -5.150 1.745 1.00 0.25 C ATOM 285 CG1 ILE A 21 -10.023 -4.105 0.698 1.00 0.26 C ATOM 286 CG2 ILE A 21 -8.734 -6.252 1.101 1.00 0.31 C ATOM 287 CD1 ILE A 21 -10.711 -2.879 1.271 1.00 0.29 C ATOM 0 H ILE A 21 -10.174 -4.404 4.102 1.00 0.27 H new ATOM 0 HA ILE A 21 -11.665 -5.568 1.911 1.00 0.26 H new ATOM 0 HB ILE A 21 -8.910 -4.675 2.468 1.00 0.25 H new ATOM 0 HG12 ILE A 21 -9.150 -3.782 0.131 1.00 0.26 H new ATOM 0 HG13 ILE A 21 -10.700 -4.587 -0.007 1.00 0.26 H new ATOM 0 HG21 ILE A 21 -7.907 -5.804 0.549 1.00 0.31 H new ATOM 0 HG22 ILE A 21 -8.340 -6.909 1.876 1.00 0.31 H new ATOM 0 HG23 ILE A 21 -9.356 -6.830 0.417 1.00 0.31 H new ATOM 0 HD11 ILE A 21 -10.989 -2.206 0.460 1.00 0.29 H new ATOM 0 HD12 ILE A 21 -11.606 -3.184 1.812 1.00 0.29 H new ATOM 0 HD13 ILE A 21 -10.032 -2.366 1.952 1.00 0.29 H new ATOM 299 N PRO A 22 -11.146 -8.037 2.070 1.00 0.29 N ATOM 300 CA PRO A 22 -11.133 -9.512 2.273 1.00 0.35 C ATOM 301 C PRO A 22 -9.782 -10.211 1.984 1.00 0.45 C ATOM 302 O PRO A 22 -9.761 -11.391 1.660 1.00 1.08 O ATOM 303 CB PRO A 22 -12.139 -9.996 1.242 1.00 0.37 C ATOM 304 CG PRO A 22 -12.804 -8.772 0.721 1.00 0.44 C ATOM 305 CD PRO A 22 -11.807 -7.697 0.828 1.00 0.34 C ATOM 0 HA PRO A 22 -11.343 -9.742 3.317 1.00 0.35 H new ATOM 0 HB2 PRO A 22 -11.644 -10.544 0.440 1.00 0.37 H new ATOM 0 HB3 PRO A 22 -12.864 -10.674 1.691 1.00 0.37 H new ATOM 0 HG2 PRO A 22 -13.121 -8.909 -0.313 1.00 0.44 H new ATOM 0 HG3 PRO A 22 -13.697 -8.536 1.300 1.00 0.44 H new ATOM 0 HD2 PRO A 22 -11.117 -7.692 -0.016 1.00 0.34 H new ATOM 0 HD3 PRO A 22 -12.270 -6.711 0.867 1.00 0.34 H new ATOM 313 N VAL A 23 -8.696 -9.474 2.081 1.00 0.39 N ATOM 314 CA VAL A 23 -7.290 -9.969 1.924 1.00 0.32 C ATOM 315 C VAL A 23 -7.016 -10.769 0.607 1.00 0.42 C ATOM 316 O VAL A 23 -6.035 -11.488 0.497 1.00 0.81 O ATOM 317 CB VAL A 23 -6.769 -10.751 3.216 1.00 0.31 C ATOM 318 CG1 VAL A 23 -7.357 -12.151 3.386 1.00 0.41 C ATOM 319 CG2 VAL A 23 -5.250 -10.769 3.317 1.00 0.33 C ATOM 0 H VAL A 23 -8.739 -8.474 2.278 1.00 0.39 H new ATOM 0 HA VAL A 23 -6.697 -9.059 1.826 1.00 0.32 H new ATOM 0 HB VAL A 23 -7.150 -10.168 4.055 1.00 0.31 H new ATOM 0 HG11 VAL A 23 -6.950 -12.610 4.287 1.00 0.41 H new ATOM 0 HG12 VAL A 23 -8.441 -12.082 3.472 1.00 0.41 H new ATOM 0 HG13 VAL A 23 -7.100 -12.761 2.520 1.00 0.41 H new ATOM 0 HG21 VAL A 23 -4.951 -11.313 4.213 1.00 0.33 H new ATOM 0 HG22 VAL A 23 -4.833 -11.260 2.438 1.00 0.33 H new ATOM 0 HG23 VAL A 23 -4.877 -9.746 3.372 1.00 0.33 H new ATOM 329 N GLU A 24 -7.825 -10.574 -0.406 1.00 0.33 N ATOM 330 CA GLU A 24 -7.596 -11.291 -1.660 1.00 0.40 C ATOM 331 C GLU A 24 -7.608 -10.345 -2.850 1.00 0.34 C ATOM 332 O GLU A 24 -7.186 -10.693 -3.949 1.00 0.44 O ATOM 333 CB GLU A 24 -8.671 -12.359 -1.842 1.00 0.57 C ATOM 334 CG GLU A 24 -10.075 -11.792 -1.864 1.00 1.36 C ATOM 335 CD GLU A 24 -11.118 -12.786 -2.255 1.00 1.86 C ATOM 336 OE1 GLU A 24 -11.601 -13.519 -1.373 1.00 2.31 O ATOM 337 OE2 GLU A 24 -11.443 -12.890 -3.450 1.00 2.20 O ATOM 0 H GLU A 24 -8.629 -9.946 -0.401 1.00 0.33 H new ATOM 0 HA GLU A 24 -6.613 -11.758 -1.610 1.00 0.40 H new ATOM 0 HB2 GLU A 24 -8.488 -12.895 -2.773 1.00 0.57 H new ATOM 0 HB3 GLU A 24 -8.592 -13.087 -1.034 1.00 0.57 H new ATOM 0 HG2 GLU A 24 -10.314 -11.398 -0.876 1.00 1.36 H new ATOM 0 HG3 GLU A 24 -10.107 -10.952 -2.558 1.00 1.36 H new ATOM 344 N ASP A 25 -8.074 -9.148 -2.608 1.00 0.28 N ATOM 345 CA ASP A 25 -8.308 -8.167 -3.661 1.00 0.29 C ATOM 346 C ASP A 25 -7.116 -7.291 -3.823 1.00 0.25 C ATOM 347 O ASP A 25 -6.879 -6.735 -4.880 1.00 0.28 O ATOM 348 CB ASP A 25 -9.505 -7.300 -3.282 1.00 0.35 C ATOM 349 CG ASP A 25 -10.692 -8.123 -2.892 1.00 0.94 C ATOM 350 OD1 ASP A 25 -10.738 -8.652 -1.762 1.00 1.59 O ATOM 351 OD2 ASP A 25 -11.615 -8.235 -3.706 1.00 1.57 O ATOM 0 H ASP A 25 -8.307 -8.814 -1.673 1.00 0.28 H new ATOM 0 HA ASP A 25 -8.500 -8.692 -4.596 1.00 0.29 H new ATOM 0 HB2 ASP A 25 -9.231 -6.645 -2.455 1.00 0.35 H new ATOM 0 HB3 ASP A 25 -9.769 -6.659 -4.123 1.00 0.35 H new ATOM 356 N VAL A 26 -6.369 -7.161 -2.753 1.00 0.23 N ATOM 357 CA VAL A 26 -5.175 -6.309 -2.745 1.00 0.22 C ATOM 358 C VAL A 26 -4.084 -6.961 -3.584 1.00 0.25 C ATOM 359 O VAL A 26 -3.363 -7.828 -3.112 1.00 0.30 O ATOM 360 CB VAL A 26 -4.652 -6.066 -1.300 1.00 0.23 C ATOM 361 CG1 VAL A 26 -3.489 -5.081 -1.288 1.00 0.24 C ATOM 362 CG2 VAL A 26 -5.758 -5.562 -0.407 1.00 0.27 C ATOM 0 H VAL A 26 -6.557 -7.631 -1.867 1.00 0.23 H new ATOM 0 HA VAL A 26 -5.446 -5.341 -3.168 1.00 0.22 H new ATOM 0 HB VAL A 26 -4.296 -7.023 -0.918 1.00 0.23 H new ATOM 0 HG11 VAL A 26 -3.148 -4.934 -0.263 1.00 0.24 H new ATOM 0 HG12 VAL A 26 -2.671 -5.477 -1.890 1.00 0.24 H new ATOM 0 HG13 VAL A 26 -3.816 -4.127 -1.702 1.00 0.24 H new ATOM 0 HG21 VAL A 26 -5.369 -5.399 0.598 1.00 0.27 H new ATOM 0 HG22 VAL A 26 -6.146 -4.623 -0.802 1.00 0.27 H new ATOM 0 HG23 VAL A 26 -6.560 -6.299 -0.370 1.00 0.27 H new ATOM 372 N LYS A 27 -4.060 -6.619 -4.845 1.00 0.28 N ATOM 373 CA LYS A 27 -3.110 -7.142 -5.783 1.00 0.35 C ATOM 374 C LYS A 27 -2.524 -5.981 -6.515 1.00 0.37 C ATOM 375 O LYS A 27 -3.030 -4.862 -6.403 1.00 0.72 O ATOM 376 CB LYS A 27 -3.823 -8.051 -6.791 1.00 0.40 C ATOM 377 CG LYS A 27 -4.496 -9.267 -6.190 1.00 0.83 C ATOM 378 CD LYS A 27 -3.499 -10.270 -5.631 1.00 1.13 C ATOM 379 CE LYS A 27 -4.212 -11.458 -4.992 1.00 1.15 C ATOM 380 NZ LYS A 27 -5.079 -12.187 -5.949 1.00 1.58 N ATOM 0 H LYS A 27 -4.716 -5.954 -5.255 1.00 0.28 H new ATOM 0 HA LYS A 27 -2.341 -7.717 -5.267 1.00 0.35 H new ATOM 0 HB2 LYS A 27 -4.573 -7.463 -7.320 1.00 0.40 H new ATOM 0 HB3 LYS A 27 -3.098 -8.385 -7.533 1.00 0.40 H new ATOM 0 HG2 LYS A 27 -5.170 -8.949 -5.395 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -5.107 -9.753 -6.951 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -2.846 -10.621 -6.430 1.00 1.13 H new ATOM 0 HD3 LYS A 27 -2.864 -9.782 -4.891 1.00 1.13 H new ATOM 0 HE2 LYS A 27 -3.471 -12.145 -4.584 1.00 1.15 H new ATOM 0 HE3 LYS A 27 -4.816 -11.107 -4.155 1.00 1.15 H new ATOM 0 HZ1 LYS A 27 -5.391 -13.083 -5.522 1.00 1.58 H new ATOM 0 HZ2 LYS A 27 -5.910 -11.605 -6.178 1.00 1.58 H new ATOM 0 HZ3 LYS A 27 -4.545 -12.385 -6.819 1.00 1.58 H new ATOM 394 N LEU A 28 -1.503 -6.213 -7.268 1.00 0.24 N ATOM 395 CA LEU A 28 -0.909 -5.168 -8.046 1.00 0.22 C ATOM 396 C LEU A 28 -1.914 -4.698 -9.084 1.00 0.23 C ATOM 397 O LEU A 28 -2.791 -5.478 -9.495 1.00 0.31 O ATOM 398 CB LEU A 28 0.427 -5.604 -8.696 1.00 0.27 C ATOM 399 CG LEU A 28 1.682 -5.700 -7.779 1.00 0.43 C ATOM 400 CD1 LEU A 28 1.502 -6.668 -6.638 1.00 1.05 C ATOM 401 CD2 LEU A 28 2.905 -6.066 -8.593 1.00 1.05 C ATOM 0 H LEU A 28 -1.055 -7.124 -7.365 1.00 0.24 H new ATOM 0 HA LEU A 28 -0.657 -4.339 -7.385 1.00 0.22 H new ATOM 0 HB2 LEU A 28 0.273 -6.580 -9.156 1.00 0.27 H new ATOM 0 HB3 LEU A 28 0.652 -4.904 -9.501 1.00 0.27 H new ATOM 0 HG LEU A 28 1.823 -4.714 -7.336 1.00 0.43 H new ATOM 0 HD11 LEU A 28 2.409 -6.692 -6.034 1.00 1.05 H new ATOM 0 HD12 LEU A 28 0.663 -6.349 -6.020 1.00 1.05 H new ATOM 0 HD13 LEU A 28 1.303 -7.664 -7.034 1.00 1.05 H new ATOM 0 HD21 LEU A 28 3.773 -6.129 -7.937 1.00 1.05 H new ATOM 0 HD22 LEU A 28 2.745 -7.030 -9.077 1.00 1.05 H new ATOM 0 HD23 LEU A 28 3.078 -5.303 -9.352 1.00 1.05 H new ATOM 413 N ASP A 29 -1.832 -3.406 -9.418 1.00 0.24 N ATOM 414 CA ASP A 29 -2.741 -2.717 -10.376 1.00 0.31 C ATOM 415 C ASP A 29 -4.042 -2.312 -9.691 1.00 0.28 C ATOM 416 O ASP A 29 -4.873 -1.615 -10.255 1.00 0.38 O ATOM 417 CB ASP A 29 -3.025 -3.581 -11.627 1.00 0.42 C ATOM 418 CG ASP A 29 -3.906 -2.915 -12.679 1.00 0.60 C ATOM 419 OD1 ASP A 29 -3.381 -2.147 -13.519 1.00 0.72 O ATOM 420 OD2 ASP A 29 -5.132 -3.183 -12.710 1.00 0.70 O ATOM 0 H ASP A 29 -1.122 -2.786 -9.029 1.00 0.24 H new ATOM 0 HA ASP A 29 -2.232 -1.815 -10.715 1.00 0.31 H new ATOM 0 HB2 ASP A 29 -2.075 -3.851 -12.088 1.00 0.42 H new ATOM 0 HB3 ASP A 29 -3.501 -4.509 -11.310 1.00 0.42 H new ATOM 425 N LYS A 30 -4.190 -2.679 -8.441 1.00 0.19 N ATOM 426 CA LYS A 30 -5.416 -2.396 -7.759 1.00 0.20 C ATOM 427 C LYS A 30 -5.292 -1.196 -6.948 1.00 0.20 C ATOM 428 O LYS A 30 -4.436 -1.107 -6.099 1.00 0.24 O ATOM 429 CB LYS A 30 -5.861 -3.480 -6.850 1.00 0.28 C ATOM 430 CG LYS A 30 -6.133 -4.847 -7.464 1.00 0.36 C ATOM 431 CD LYS A 30 -7.318 -4.828 -8.407 1.00 0.45 C ATOM 432 CE LYS A 30 -7.004 -4.252 -9.771 1.00 0.79 C ATOM 433 NZ LYS A 30 -8.224 -4.097 -10.565 1.00 1.48 N ATOM 0 H LYS A 30 -3.485 -3.166 -7.888 1.00 0.19 H new ATOM 0 HA LYS A 30 -6.152 -2.278 -8.555 1.00 0.20 H new ATOM 0 HB2 LYS A 30 -5.102 -3.604 -6.077 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -6.772 -3.148 -6.352 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -5.248 -5.183 -8.003 1.00 0.36 H new ATOM 0 HG3 LYS A 30 -6.316 -5.570 -6.669 1.00 0.36 H new ATOM 0 HD2 LYS A 30 -7.689 -5.845 -8.529 1.00 0.45 H new ATOM 0 HD3 LYS A 30 -8.122 -4.248 -7.954 1.00 0.45 H new ATOM 0 HE2 LYS A 30 -6.513 -3.285 -9.658 1.00 0.79 H new ATOM 0 HE3 LYS A 30 -6.305 -4.905 -10.294 1.00 0.79 H new ATOM 0 HZ1 LYS A 30 -8.020 -3.520 -11.406 1.00 1.48 H new ATOM 0 HZ2 LYS A 30 -8.566 -5.033 -10.862 1.00 1.48 H new ATOM 0 HZ3 LYS A 30 -8.954 -3.628 -9.992 1.00 1.48 H new ATOM 447 N SER A 31 -6.126 -0.316 -7.192 1.00 0.20 N ATOM 448 CA SER A 31 -6.190 0.917 -6.483 1.00 0.34 C ATOM 449 C SER A 31 -6.906 0.665 -5.164 1.00 0.53 C ATOM 450 O SER A 31 -8.064 0.286 -5.160 1.00 1.25 O ATOM 451 CB SER A 31 -6.958 1.922 -7.320 1.00 0.36 C ATOM 452 OG SER A 31 -6.406 2.030 -8.628 1.00 0.86 O ATOM 0 H SER A 31 -6.834 -0.406 -7.921 1.00 0.20 H new ATOM 0 HA SER A 31 -5.193 1.312 -6.287 1.00 0.34 H new ATOM 0 HB2 SER A 31 -8.003 1.620 -7.387 1.00 0.36 H new ATOM 0 HB3 SER A 31 -6.938 2.897 -6.832 1.00 0.36 H new ATOM 0 HG SER A 31 -6.920 2.683 -9.147 1.00 0.86 H new ATOM 458 N PHE A 32 -6.210 0.835 -4.075 1.00 0.29 N ATOM 459 CA PHE A 32 -6.733 0.585 -2.751 1.00 0.28 C ATOM 460 C PHE A 32 -8.073 1.308 -2.507 1.00 0.26 C ATOM 461 O PHE A 32 -9.042 0.720 -2.085 1.00 0.40 O ATOM 462 CB PHE A 32 -5.741 1.033 -1.706 1.00 0.40 C ATOM 463 CG PHE A 32 -4.377 0.421 -1.733 1.00 0.35 C ATOM 464 CD1 PHE A 32 -3.364 0.998 -2.470 1.00 0.35 C ATOM 465 CD2 PHE A 32 -4.093 -0.699 -0.983 1.00 0.38 C ATOM 466 CE1 PHE A 32 -2.100 0.470 -2.462 1.00 0.34 C ATOM 467 CE2 PHE A 32 -2.833 -1.238 -0.977 1.00 0.40 C ATOM 468 CZ PHE A 32 -1.832 -0.652 -1.716 1.00 0.36 C ATOM 0 H PHE A 32 -5.242 1.158 -4.078 1.00 0.29 H new ATOM 0 HA PHE A 32 -6.905 -0.489 -2.676 1.00 0.28 H new ATOM 0 HB2 PHE A 32 -5.625 2.113 -1.795 1.00 0.40 H new ATOM 0 HB3 PHE A 32 -6.176 0.839 -0.726 1.00 0.40 H new ATOM 0 HD1 PHE A 32 -3.570 1.878 -3.061 1.00 0.35 H new ATOM 0 HD2 PHE A 32 -4.872 -1.158 -0.393 1.00 0.38 H new ATOM 0 HE1 PHE A 32 -1.316 0.935 -3.041 1.00 0.34 H new ATOM 0 HE2 PHE A 32 -2.626 -2.122 -0.392 1.00 0.40 H new ATOM 0 HZ PHE A 32 -0.837 -1.073 -1.710 1.00 0.36 H new ATOM 478 N THR A 33 -8.127 2.555 -2.803 1.00 0.28 N ATOM 479 CA THR A 33 -9.339 3.300 -2.559 1.00 0.36 C ATOM 480 C THR A 33 -10.368 3.082 -3.688 1.00 0.45 C ATOM 481 O THR A 33 -11.528 2.807 -3.418 1.00 1.06 O ATOM 482 CB THR A 33 -9.053 4.817 -2.306 1.00 0.61 C ATOM 483 OG1 THR A 33 -10.261 5.520 -1.988 1.00 1.01 O ATOM 484 CG2 THR A 33 -8.390 5.470 -3.501 1.00 0.78 C ATOM 0 H THR A 33 -7.361 3.091 -3.212 1.00 0.28 H new ATOM 0 HA THR A 33 -9.781 2.912 -1.641 1.00 0.36 H new ATOM 0 HB THR A 33 -8.370 4.873 -1.459 1.00 0.61 H new ATOM 0 HG1 THR A 33 -10.681 5.110 -1.203 1.00 1.01 H new ATOM 0 HG21 THR A 33 -8.208 6.523 -3.286 1.00 0.78 H new ATOM 0 HG22 THR A 33 -7.442 4.973 -3.708 1.00 0.78 H new ATOM 0 HG23 THR A 33 -9.042 5.385 -4.370 1.00 0.78 H new ATOM 492 N ASP A 34 -9.910 3.130 -4.929 1.00 0.32 N ATOM 493 CA ASP A 34 -10.788 3.042 -6.102 1.00 0.34 C ATOM 494 C ASP A 34 -11.311 1.637 -6.349 1.00 0.35 C ATOM 495 O ASP A 34 -12.508 1.431 -6.480 1.00 0.50 O ATOM 496 CB ASP A 34 -10.057 3.550 -7.340 1.00 0.38 C ATOM 497 CG ASP A 34 -10.860 3.391 -8.613 1.00 0.96 C ATOM 498 OD1 ASP A 34 -11.773 4.195 -8.851 1.00 1.04 O ATOM 499 OD2 ASP A 34 -10.613 2.429 -9.365 1.00 1.74 O ATOM 0 H ASP A 34 -8.921 3.231 -5.159 1.00 0.32 H new ATOM 0 HA ASP A 34 -11.654 3.670 -5.895 1.00 0.34 H new ATOM 0 HB2 ASP A 34 -9.811 4.603 -7.202 1.00 0.38 H new ATOM 0 HB3 ASP A 34 -9.114 3.013 -7.443 1.00 0.38 H new ATOM 504 N ASP A 35 -10.420 0.678 -6.380 1.00 0.30 N ATOM 505 CA ASP A 35 -10.786 -0.701 -6.694 1.00 0.32 C ATOM 506 C ASP A 35 -11.276 -1.374 -5.463 1.00 0.35 C ATOM 507 O ASP A 35 -12.407 -1.841 -5.383 1.00 0.52 O ATOM 508 CB ASP A 35 -9.566 -1.513 -7.146 1.00 0.31 C ATOM 509 CG ASP A 35 -9.955 -2.836 -7.771 1.00 0.81 C ATOM 510 OD1 ASP A 35 -10.206 -3.802 -7.027 1.00 1.29 O ATOM 511 OD2 ASP A 35 -10.046 -2.932 -8.996 1.00 1.10 O ATOM 0 H ASP A 35 -9.427 0.817 -6.192 1.00 0.30 H new ATOM 0 HA ASP A 35 -11.539 -0.661 -7.481 1.00 0.32 H new ATOM 0 HB2 ASP A 35 -8.990 -0.930 -7.865 1.00 0.31 H new ATOM 0 HB3 ASP A 35 -8.916 -1.695 -6.290 1.00 0.31 H new ATOM 516 N LEU A 36 -10.406 -1.376 -4.490 1.00 0.30 N ATOM 517 CA LEU A 36 -10.564 -2.148 -3.288 1.00 0.33 C ATOM 518 C LEU A 36 -11.620 -1.581 -2.378 1.00 0.39 C ATOM 519 O LEU A 36 -12.266 -2.335 -1.626 1.00 0.81 O ATOM 520 CB LEU A 36 -9.250 -2.192 -2.574 1.00 0.33 C ATOM 521 CG LEU A 36 -8.057 -2.620 -3.368 1.00 0.33 C ATOM 522 CD1 LEU A 36 -6.926 -2.787 -2.422 1.00 0.36 C ATOM 523 CD2 LEU A 36 -8.323 -3.895 -4.110 1.00 0.36 C ATOM 0 H LEU A 36 -9.546 -0.827 -4.512 1.00 0.30 H new ATOM 0 HA LEU A 36 -10.889 -3.151 -3.566 1.00 0.33 H new ATOM 0 HB2 LEU A 36 -9.050 -1.199 -2.172 1.00 0.33 H new ATOM 0 HB3 LEU A 36 -9.350 -2.866 -1.723 1.00 0.33 H new ATOM 0 HG LEU A 36 -7.820 -1.866 -4.118 1.00 0.33 H new ATOM 0 HD11 LEU A 36 -6.037 -3.100 -2.969 1.00 0.36 H new ATOM 0 HD12 LEU A 36 -6.729 -1.840 -1.920 1.00 0.36 H new ATOM 0 HD13 LEU A 36 -7.181 -3.544 -1.681 1.00 0.36 H new ATOM 0 HD21 LEU A 36 -7.436 -4.178 -4.677 1.00 0.36 H new ATOM 0 HD22 LEU A 36 -8.567 -4.685 -3.400 1.00 0.36 H new ATOM 0 HD23 LEU A 36 -9.160 -3.750 -4.794 1.00 0.36 H new ATOM 535 N ASP A 37 -11.743 -0.253 -2.404 1.00 0.35 N ATOM 536 CA ASP A 37 -12.753 0.478 -1.679 1.00 0.45 C ATOM 537 C ASP A 37 -12.330 0.704 -0.258 1.00 0.39 C ATOM 538 O ASP A 37 -12.772 0.052 0.689 1.00 0.87 O ATOM 539 CB ASP A 37 -14.134 -0.148 -1.804 1.00 0.79 C ATOM 540 CG ASP A 37 -15.225 0.561 -1.024 1.00 0.90 C ATOM 541 OD1 ASP A 37 -15.811 1.533 -1.553 1.00 1.12 O ATOM 542 OD2 ASP A 37 -15.539 0.140 0.118 1.00 0.99 O ATOM 0 H ASP A 37 -11.122 0.348 -2.946 1.00 0.35 H new ATOM 0 HA ASP A 37 -12.848 1.460 -2.143 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -14.414 -0.169 -2.857 1.00 0.79 H new ATOM 0 HB3 ASP A 37 -14.080 -1.183 -1.468 1.00 0.79 H new ATOM 547 N VAL A 38 -11.318 1.483 -0.160 1.00 0.38 N ATOM 548 CA VAL A 38 -10.864 1.987 1.104 1.00 0.37 C ATOM 549 C VAL A 38 -11.268 3.455 1.197 1.00 0.48 C ATOM 550 O VAL A 38 -11.195 4.181 0.203 1.00 0.79 O ATOM 551 CB VAL A 38 -9.336 1.843 1.249 1.00 0.40 C ATOM 552 CG1 VAL A 38 -8.861 2.324 2.620 1.00 0.50 C ATOM 553 CG2 VAL A 38 -8.935 0.405 1.040 1.00 0.43 C ATOM 0 H VAL A 38 -10.767 1.799 -0.958 1.00 0.38 H new ATOM 0 HA VAL A 38 -11.319 1.412 1.910 1.00 0.37 H new ATOM 0 HB VAL A 38 -8.863 2.466 0.490 1.00 0.40 H new ATOM 0 HG11 VAL A 38 -7.779 2.210 2.691 1.00 0.50 H new ATOM 0 HG12 VAL A 38 -9.124 3.374 2.748 1.00 0.50 H new ATOM 0 HG13 VAL A 38 -9.340 1.732 3.400 1.00 0.50 H new ATOM 0 HG21 VAL A 38 -7.854 0.310 1.144 1.00 0.43 H new ATOM 0 HG22 VAL A 38 -9.427 -0.222 1.783 1.00 0.43 H new ATOM 0 HG23 VAL A 38 -9.233 0.086 0.041 1.00 0.43 H new ATOM 563 N ASP A 39 -11.684 3.867 2.388 1.00 0.39 N ATOM 564 CA ASP A 39 -12.227 5.229 2.726 1.00 0.55 C ATOM 565 C ASP A 39 -11.321 6.439 2.393 1.00 0.67 C ATOM 566 O ASP A 39 -11.652 7.560 2.792 1.00 1.53 O ATOM 567 CB ASP A 39 -12.513 5.302 4.222 1.00 0.64 C ATOM 568 CG ASP A 39 -13.546 4.333 4.703 1.00 1.28 C ATOM 569 OD1 ASP A 39 -13.225 3.148 4.869 1.00 2.00 O ATOM 570 OD2 ASP A 39 -14.725 4.732 4.865 1.00 1.51 O ATOM 0 H ASP A 39 -11.662 3.251 3.201 1.00 0.39 H new ATOM 0 HA ASP A 39 -13.111 5.317 2.095 1.00 0.55 H new ATOM 0 HB2 ASP A 39 -11.585 5.124 4.766 1.00 0.64 H new ATOM 0 HB3 ASP A 39 -12.838 6.313 4.468 1.00 0.64 H new ATOM 575 N SER A 40 -10.207 6.227 1.693 1.00 0.45 N ATOM 576 CA SER A 40 -9.236 7.272 1.337 1.00 0.37 C ATOM 577 C SER A 40 -8.491 7.873 2.528 1.00 0.34 C ATOM 578 O SER A 40 -7.278 7.809 2.584 1.00 0.46 O ATOM 579 CB SER A 40 -9.840 8.343 0.476 1.00 0.51 C ATOM 580 OG SER A 40 -8.882 9.385 0.295 1.00 0.78 O ATOM 0 H SER A 40 -9.945 5.304 1.348 1.00 0.45 H new ATOM 0 HA SER A 40 -8.480 6.752 0.748 1.00 0.37 H new ATOM 0 HB2 SER A 40 -10.134 7.930 -0.489 1.00 0.51 H new ATOM 0 HB3 SER A 40 -10.743 8.738 0.943 1.00 0.51 H new ATOM 0 HG SER A 40 -9.267 10.089 -0.268 1.00 0.78 H new ATOM 585 N LEU A 41 -9.210 8.416 3.482 1.00 0.32 N ATOM 586 CA LEU A 41 -8.597 9.033 4.646 1.00 0.36 C ATOM 587 C LEU A 41 -7.825 7.976 5.447 1.00 0.33 C ATOM 588 O LEU A 41 -6.798 8.247 6.056 1.00 0.41 O ATOM 589 CB LEU A 41 -9.679 9.762 5.501 1.00 0.51 C ATOM 590 CG LEU A 41 -10.827 8.916 6.117 1.00 0.65 C ATOM 591 CD1 LEU A 41 -10.424 8.262 7.436 1.00 1.15 C ATOM 592 CD2 LEU A 41 -12.074 9.753 6.302 1.00 1.18 C ATOM 0 H LEU A 41 -10.230 8.445 3.479 1.00 0.32 H new ATOM 0 HA LEU A 41 -7.879 9.790 4.331 1.00 0.36 H new ATOM 0 HB2 LEU A 41 -9.168 10.273 6.317 1.00 0.51 H new ATOM 0 HB3 LEU A 41 -10.132 10.532 4.877 1.00 0.51 H new ATOM 0 HG LEU A 41 -11.041 8.114 5.410 1.00 0.65 H new ATOM 0 HD11 LEU A 41 -11.261 7.682 7.825 1.00 1.15 H new ATOM 0 HD12 LEU A 41 -9.572 7.603 7.270 1.00 1.15 H new ATOM 0 HD13 LEU A 41 -10.151 9.033 8.156 1.00 1.15 H new ATOM 0 HD21 LEU A 41 -12.864 9.139 6.735 1.00 1.18 H new ATOM 0 HD22 LEU A 41 -11.857 10.587 6.969 1.00 1.18 H new ATOM 0 HD23 LEU A 41 -12.401 10.137 5.336 1.00 1.18 H new ATOM 604 N SER A 42 -8.323 6.764 5.380 1.00 0.31 N ATOM 605 CA SER A 42 -7.758 5.629 6.046 1.00 0.33 C ATOM 606 C SER A 42 -6.532 5.112 5.281 1.00 0.27 C ATOM 607 O SER A 42 -5.726 4.376 5.817 1.00 0.26 O ATOM 608 CB SER A 42 -8.824 4.560 6.042 1.00 0.45 C ATOM 609 OG SER A 42 -10.092 5.156 6.247 1.00 0.60 O ATOM 0 H SER A 42 -9.160 6.540 4.841 1.00 0.31 H new ATOM 0 HA SER A 42 -7.443 5.893 7.055 1.00 0.33 H new ATOM 0 HB2 SER A 42 -8.812 4.023 5.093 1.00 0.45 H new ATOM 0 HB3 SER A 42 -8.623 3.829 6.825 1.00 0.45 H new ATOM 0 HG SER A 42 -10.745 4.464 6.481 1.00 0.60 H new ATOM 615 N MET A 43 -6.391 5.544 4.040 1.00 0.27 N ATOM 616 CA MET A 43 -5.354 5.054 3.153 1.00 0.31 C ATOM 617 C MET A 43 -4.007 5.453 3.605 1.00 0.25 C ATOM 618 O MET A 43 -3.100 4.649 3.559 1.00 0.28 O ATOM 619 CB MET A 43 -5.578 5.510 1.719 1.00 0.46 C ATOM 620 CG MET A 43 -6.765 4.894 1.046 1.00 0.73 C ATOM 621 SD MET A 43 -6.440 3.327 0.240 1.00 0.86 S ATOM 622 CE MET A 43 -5.384 2.427 1.393 1.00 0.40 C ATOM 0 H MET A 43 -6.997 6.248 3.618 1.00 0.27 H new ATOM 0 HA MET A 43 -5.414 3.966 3.182 1.00 0.31 H new ATOM 0 HB2 MET A 43 -5.694 6.594 1.710 1.00 0.46 H new ATOM 0 HB3 MET A 43 -4.686 5.280 1.135 1.00 0.46 H new ATOM 0 HG2 MET A 43 -7.551 4.750 1.787 1.00 0.73 H new ATOM 0 HG3 MET A 43 -7.150 5.595 0.305 1.00 0.73 H new ATOM 0 HE1 MET A 43 -5.239 1.408 1.034 1.00 0.40 H new ATOM 0 HE2 MET A 43 -4.418 2.927 1.468 1.00 0.40 H new ATOM 0 HE3 MET A 43 -5.856 2.402 2.375 1.00 0.40 H new ATOM 632 N VAL A 44 -3.887 6.683 4.071 1.00 0.22 N ATOM 633 CA VAL A 44 -2.614 7.206 4.562 1.00 0.22 C ATOM 634 C VAL A 44 -2.057 6.276 5.665 1.00 0.21 C ATOM 635 O VAL A 44 -0.860 5.955 5.688 1.00 0.26 O ATOM 636 CB VAL A 44 -2.783 8.644 5.120 1.00 0.25 C ATOM 637 CG1 VAL A 44 -1.446 9.218 5.585 1.00 0.31 C ATOM 638 CG2 VAL A 44 -3.408 9.545 4.069 1.00 0.30 C ATOM 0 H VAL A 44 -4.659 7.347 4.122 1.00 0.22 H new ATOM 0 HA VAL A 44 -1.913 7.243 3.728 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.445 8.595 5.984 1.00 0.25 H new ATOM 0 HG11 VAL A 44 -1.597 10.226 5.971 1.00 0.31 H new ATOM 0 HG12 VAL A 44 -1.033 8.587 6.372 1.00 0.31 H new ATOM 0 HG13 VAL A 44 -0.752 9.251 4.745 1.00 0.31 H new ATOM 0 HG21 VAL A 44 -3.521 10.551 4.473 1.00 0.30 H new ATOM 0 HG22 VAL A 44 -2.766 9.577 3.189 1.00 0.30 H new ATOM 0 HG23 VAL A 44 -4.386 9.154 3.790 1.00 0.30 H new ATOM 648 N GLU A 45 -2.957 5.805 6.530 1.00 0.19 N ATOM 649 CA GLU A 45 -2.612 4.890 7.623 1.00 0.18 C ATOM 650 C GLU A 45 -2.041 3.617 7.053 1.00 0.20 C ATOM 651 O GLU A 45 -0.993 3.171 7.455 1.00 0.25 O ATOM 652 CB GLU A 45 -3.850 4.501 8.414 1.00 0.17 C ATOM 653 CG GLU A 45 -4.727 5.641 8.829 1.00 0.29 C ATOM 654 CD GLU A 45 -4.026 6.657 9.682 1.00 0.46 C ATOM 655 OE1 GLU A 45 -3.276 7.499 9.132 1.00 0.58 O ATOM 656 OE2 GLU A 45 -4.168 6.616 10.911 1.00 0.68 O ATOM 0 H GLU A 45 -3.947 6.047 6.494 1.00 0.19 H new ATOM 0 HA GLU A 45 -1.895 5.399 8.267 1.00 0.18 H new ATOM 0 HB2 GLU A 45 -4.441 3.808 7.815 1.00 0.17 H new ATOM 0 HB3 GLU A 45 -3.536 3.962 9.308 1.00 0.17 H new ATOM 0 HG2 GLU A 45 -5.116 6.133 7.937 1.00 0.29 H new ATOM 0 HG3 GLU A 45 -5.584 5.249 9.376 1.00 0.29 H new ATOM 663 N VAL A 46 -2.738 3.077 6.060 1.00 0.19 N ATOM 664 CA VAL A 46 -2.388 1.819 5.407 1.00 0.22 C ATOM 665 C VAL A 46 -0.991 1.909 4.747 1.00 0.20 C ATOM 666 O VAL A 46 -0.302 0.918 4.589 1.00 0.23 O ATOM 667 CB VAL A 46 -3.459 1.411 4.337 1.00 0.31 C ATOM 668 CG1 VAL A 46 -3.270 -0.006 3.858 1.00 0.53 C ATOM 669 CG2 VAL A 46 -4.866 1.595 4.852 1.00 0.63 C ATOM 0 H VAL A 46 -3.579 3.509 5.678 1.00 0.19 H new ATOM 0 HA VAL A 46 -2.364 1.050 6.179 1.00 0.22 H new ATOM 0 HB VAL A 46 -3.311 2.080 3.490 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -4.034 -0.245 3.118 1.00 0.53 H new ATOM 0 HG12 VAL A 46 -2.283 -0.109 3.407 1.00 0.53 H new ATOM 0 HG13 VAL A 46 -3.356 -0.690 4.702 1.00 0.53 H new ATOM 0 HG21 VAL A 46 -5.577 1.301 4.080 1.00 0.63 H new ATOM 0 HG22 VAL A 46 -5.014 0.975 5.736 1.00 0.63 H new ATOM 0 HG23 VAL A 46 -5.024 2.642 5.112 1.00 0.63 H new ATOM 679 N VAL A 47 -0.578 3.124 4.435 1.00 0.17 N ATOM 680 CA VAL A 47 0.705 3.380 3.772 1.00 0.18 C ATOM 681 C VAL A 47 1.778 3.302 4.805 1.00 0.19 C ATOM 682 O VAL A 47 2.743 2.556 4.661 1.00 0.21 O ATOM 683 CB VAL A 47 0.776 4.796 3.153 1.00 0.22 C ATOM 684 CG1 VAL A 47 2.056 4.969 2.364 1.00 0.55 C ATOM 685 CG2 VAL A 47 -0.408 5.085 2.286 1.00 0.54 C ATOM 0 H VAL A 47 -1.117 3.967 4.631 1.00 0.17 H new ATOM 0 HA VAL A 47 0.822 2.644 2.976 1.00 0.18 H new ATOM 0 HB VAL A 47 0.766 5.510 3.976 1.00 0.22 H new ATOM 0 HG11 VAL A 47 2.087 5.971 1.937 1.00 0.55 H new ATOM 0 HG12 VAL A 47 2.912 4.829 3.024 1.00 0.55 H new ATOM 0 HG13 VAL A 47 2.092 4.231 1.562 1.00 0.55 H new ATOM 0 HG21 VAL A 47 -0.319 6.089 1.871 1.00 0.54 H new ATOM 0 HG22 VAL A 47 -0.450 4.359 1.474 1.00 0.54 H new ATOM 0 HG23 VAL A 47 -1.319 5.018 2.880 1.00 0.54 H new ATOM 695 N VAL A 48 1.603 4.090 5.847 1.00 0.19 N ATOM 696 CA VAL A 48 2.541 4.129 6.939 1.00 0.23 C ATOM 697 C VAL A 48 2.620 2.749 7.569 1.00 0.23 C ATOM 698 O VAL A 48 3.692 2.273 7.899 1.00 0.35 O ATOM 699 CB VAL A 48 2.124 5.182 8.003 1.00 0.31 C ATOM 700 CG1 VAL A 48 3.128 5.235 9.150 1.00 0.42 C ATOM 701 CG2 VAL A 48 1.984 6.557 7.360 1.00 0.33 C ATOM 0 H VAL A 48 0.807 4.718 5.956 1.00 0.19 H new ATOM 0 HA VAL A 48 3.519 4.420 6.555 1.00 0.23 H new ATOM 0 HB VAL A 48 1.159 4.883 8.413 1.00 0.31 H new ATOM 0 HG11 VAL A 48 2.809 5.981 9.878 1.00 0.42 H new ATOM 0 HG12 VAL A 48 3.183 4.258 9.631 1.00 0.42 H new ATOM 0 HG13 VAL A 48 4.110 5.504 8.762 1.00 0.42 H new ATOM 0 HG21 VAL A 48 1.691 7.285 8.117 1.00 0.33 H new ATOM 0 HG22 VAL A 48 2.937 6.853 6.922 1.00 0.33 H new ATOM 0 HG23 VAL A 48 1.223 6.518 6.581 1.00 0.33 H new ATOM 711 N ALA A 49 1.479 2.068 7.635 1.00 0.18 N ATOM 712 CA ALA A 49 1.420 0.784 8.236 1.00 0.18 C ATOM 713 C ALA A 49 2.140 -0.223 7.376 1.00 0.17 C ATOM 714 O ALA A 49 2.729 -1.185 7.879 1.00 0.21 O ATOM 715 CB ALA A 49 -0.006 0.371 8.488 1.00 0.20 C ATOM 0 H ALA A 49 0.589 2.407 7.270 1.00 0.18 H new ATOM 0 HA ALA A 49 1.920 0.828 9.203 1.00 0.18 H new ATOM 0 HB1 ALA A 49 -0.023 -0.617 8.949 1.00 0.20 H new ATOM 0 HB2 ALA A 49 -0.481 1.091 9.155 1.00 0.20 H new ATOM 0 HB3 ALA A 49 -0.548 0.339 7.543 1.00 0.20 H new ATOM 721 N ALA A 50 2.102 0.013 6.074 1.00 0.16 N ATOM 722 CA ALA A 50 2.786 -0.809 5.132 1.00 0.18 C ATOM 723 C ALA A 50 4.284 -0.679 5.348 1.00 0.18 C ATOM 724 O ALA A 50 4.945 -1.645 5.672 1.00 0.21 O ATOM 725 CB ALA A 50 2.390 -0.445 3.683 1.00 0.18 C ATOM 0 H ALA A 50 1.588 0.788 5.655 1.00 0.16 H new ATOM 0 HA ALA A 50 2.497 -1.848 5.287 1.00 0.18 H new ATOM 0 HB1 ALA A 50 2.927 -1.088 2.986 1.00 0.18 H new ATOM 0 HB2 ALA A 50 1.317 -0.586 3.553 1.00 0.18 H new ATOM 0 HB3 ALA A 50 2.646 0.596 3.486 1.00 0.18 H new ATOM 731 N GLU A 51 4.799 0.517 5.255 1.00 0.18 N ATOM 732 CA GLU A 51 6.226 0.727 5.351 1.00 0.23 C ATOM 733 C GLU A 51 6.831 0.419 6.719 1.00 0.23 C ATOM 734 O GLU A 51 7.958 -0.069 6.795 1.00 0.30 O ATOM 735 CB GLU A 51 6.637 2.049 4.747 1.00 0.29 C ATOM 736 CG GLU A 51 5.912 3.266 5.240 1.00 0.31 C ATOM 737 CD GLU A 51 6.642 4.050 6.281 1.00 0.36 C ATOM 738 OE1 GLU A 51 6.747 3.614 7.428 1.00 0.51 O ATOM 739 OE2 GLU A 51 7.107 5.146 5.950 1.00 0.64 O ATOM 0 H GLU A 51 4.253 1.367 5.112 1.00 0.18 H new ATOM 0 HA GLU A 51 6.688 -0.039 4.728 1.00 0.23 H new ATOM 0 HB2 GLU A 51 7.702 2.190 4.929 1.00 0.29 H new ATOM 0 HB3 GLU A 51 6.503 1.987 3.667 1.00 0.29 H new ATOM 0 HG2 GLU A 51 5.707 3.918 4.391 1.00 0.31 H new ATOM 0 HG3 GLU A 51 4.948 2.958 5.646 1.00 0.31 H new ATOM 746 N GLU A 52 6.064 0.632 7.777 1.00 0.22 N ATOM 747 CA GLU A 52 6.467 0.220 9.134 1.00 0.26 C ATOM 748 C GLU A 52 6.697 -1.294 9.172 1.00 0.24 C ATOM 749 O GLU A 52 7.557 -1.805 9.894 1.00 0.35 O ATOM 750 CB GLU A 52 5.366 0.578 10.143 1.00 0.33 C ATOM 751 CG GLU A 52 5.291 2.044 10.537 1.00 0.46 C ATOM 752 CD GLU A 52 6.306 2.424 11.583 1.00 1.20 C ATOM 753 OE1 GLU A 52 6.039 2.191 12.786 1.00 1.50 O ATOM 754 OE2 GLU A 52 7.373 2.986 11.248 1.00 2.07 O ATOM 0 H GLU A 52 5.153 1.089 7.733 1.00 0.22 H new ATOM 0 HA GLU A 52 7.388 0.741 9.396 1.00 0.26 H new ATOM 0 HB2 GLU A 52 4.404 0.283 9.724 1.00 0.33 H new ATOM 0 HB3 GLU A 52 5.517 -0.015 11.045 1.00 0.33 H new ATOM 0 HG2 GLU A 52 5.442 2.661 9.651 1.00 0.46 H new ATOM 0 HG3 GLU A 52 4.291 2.263 10.912 1.00 0.46 H new ATOM 761 N ARG A 53 5.922 -1.993 8.384 1.00 0.18 N ATOM 762 CA ARG A 53 5.961 -3.427 8.314 1.00 0.21 C ATOM 763 C ARG A 53 6.991 -3.929 7.269 1.00 0.24 C ATOM 764 O ARG A 53 7.608 -4.980 7.454 1.00 0.37 O ATOM 765 CB ARG A 53 4.552 -3.928 7.981 1.00 0.25 C ATOM 766 CG ARG A 53 4.371 -5.430 7.946 1.00 0.41 C ATOM 767 CD ARG A 53 2.940 -5.770 7.586 1.00 0.49 C ATOM 768 NE ARG A 53 2.702 -7.197 7.522 1.00 1.36 N ATOM 769 CZ ARG A 53 1.553 -7.782 7.873 1.00 1.55 C ATOM 770 NH1 ARG A 53 0.614 -7.090 8.516 1.00 1.19 N ATOM 771 NH2 ARG A 53 1.365 -9.066 7.607 1.00 2.48 N ATOM 0 H ARG A 53 5.233 -1.571 7.761 1.00 0.18 H new ATOM 0 HA ARG A 53 6.284 -3.824 9.276 1.00 0.21 H new ATOM 0 HB2 ARG A 53 3.859 -3.516 8.714 1.00 0.25 H new ATOM 0 HB3 ARG A 53 4.265 -3.525 7.010 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.052 -5.870 7.218 1.00 0.41 H new ATOM 0 HG3 ARG A 53 4.622 -5.858 8.917 1.00 0.41 H new ATOM 0 HD2 ARG A 53 2.270 -5.327 8.323 1.00 0.49 H new ATOM 0 HD3 ARG A 53 2.696 -5.322 6.623 1.00 0.49 H new ATOM 0 HE ARG A 53 3.459 -7.793 7.188 1.00 1.36 H new ATOM 0 HH11 ARG A 53 0.770 -6.108 8.743 1.00 1.19 H new ATOM 0 HH12 ARG A 53 -0.261 -7.542 8.781 1.00 1.19 H new ATOM 0 HH21 ARG A 53 2.095 -9.602 7.137 1.00 2.48 H new ATOM 0 HH22 ARG A 53 0.490 -9.519 7.872 1.00 2.48 H new ATOM 785 N PHE A 54 7.192 -3.173 6.186 1.00 0.20 N ATOM 786 CA PHE A 54 8.038 -3.651 5.058 1.00 0.26 C ATOM 787 C PHE A 54 9.359 -2.947 4.997 1.00 0.37 C ATOM 788 O PHE A 54 9.992 -2.912 3.954 1.00 0.81 O ATOM 789 CB PHE A 54 7.333 -3.469 3.717 1.00 0.18 C ATOM 790 CG PHE A 54 5.941 -3.934 3.726 1.00 0.14 C ATOM 791 CD1 PHE A 54 5.593 -5.092 4.371 1.00 0.27 C ATOM 792 CD2 PHE A 54 4.967 -3.176 3.153 1.00 0.19 C ATOM 793 CE1 PHE A 54 4.301 -5.481 4.438 1.00 0.36 C ATOM 794 CE2 PHE A 54 3.668 -3.558 3.222 1.00 0.29 C ATOM 795 CZ PHE A 54 3.327 -4.708 3.868 1.00 0.33 C ATOM 0 H PHE A 54 6.795 -2.243 6.055 1.00 0.20 H new ATOM 0 HA PHE A 54 8.211 -4.711 5.246 1.00 0.26 H new ATOM 0 HB2 PHE A 54 7.355 -2.414 3.443 1.00 0.18 H new ATOM 0 HB3 PHE A 54 7.885 -4.010 2.948 1.00 0.18 H new ATOM 0 HD1 PHE A 54 6.359 -5.699 4.830 1.00 0.27 H new ATOM 0 HD2 PHE A 54 5.231 -2.263 2.639 1.00 0.19 H new ATOM 0 HE1 PHE A 54 4.038 -6.400 4.940 1.00 0.36 H new ATOM 0 HE2 PHE A 54 2.902 -2.950 2.764 1.00 0.29 H new ATOM 0 HZ PHE A 54 2.291 -5.008 3.930 1.00 0.33 H new ATOM 805 N ASP A 55 9.728 -2.339 6.082 1.00 0.23 N ATOM 806 CA ASP A 55 11.084 -1.699 6.271 1.00 0.30 C ATOM 807 C ASP A 55 11.265 -0.358 5.532 1.00 0.21 C ATOM 808 O ASP A 55 12.056 0.500 5.968 1.00 0.44 O ATOM 809 CB ASP A 55 12.231 -2.677 5.865 1.00 0.60 C ATOM 810 CG ASP A 55 13.622 -2.099 6.039 1.00 1.22 C ATOM 811 OD1 ASP A 55 14.154 -2.129 7.169 1.00 1.56 O ATOM 812 OD2 ASP A 55 14.219 -1.632 5.047 1.00 1.99 O ATOM 0 H ASP A 55 9.121 -2.248 6.897 1.00 0.23 H new ATOM 0 HA ASP A 55 11.140 -1.477 7.337 1.00 0.30 H new ATOM 0 HB2 ASP A 55 12.149 -3.586 6.462 1.00 0.60 H new ATOM 0 HB3 ASP A 55 12.096 -2.967 4.823 1.00 0.60 H new ATOM 817 N VAL A 56 10.529 -0.157 4.454 1.00 0.17 N ATOM 818 CA VAL A 56 10.720 0.994 3.606 1.00 0.21 C ATOM 819 C VAL A 56 10.202 2.277 4.311 1.00 0.20 C ATOM 820 O VAL A 56 9.591 2.197 5.367 1.00 0.21 O ATOM 821 CB VAL A 56 10.003 0.755 2.239 1.00 0.27 C ATOM 822 CG1 VAL A 56 8.516 0.763 2.391 1.00 0.29 C ATOM 823 CG2 VAL A 56 10.425 1.713 1.170 1.00 0.37 C ATOM 0 H VAL A 56 9.787 -0.786 4.147 1.00 0.17 H new ATOM 0 HA VAL A 56 11.783 1.137 3.414 1.00 0.21 H new ATOM 0 HB VAL A 56 10.318 -0.236 1.913 1.00 0.27 H new ATOM 0 HG11 VAL A 56 8.050 0.594 1.420 1.00 0.29 H new ATOM 0 HG12 VAL A 56 8.216 -0.027 3.080 1.00 0.29 H new ATOM 0 HG13 VAL A 56 8.196 1.728 2.784 1.00 0.29 H new ATOM 0 HG21 VAL A 56 9.888 1.489 0.248 1.00 0.37 H new ATOM 0 HG22 VAL A 56 10.198 2.732 1.484 1.00 0.37 H new ATOM 0 HG23 VAL A 56 11.497 1.617 0.998 1.00 0.37 H new ATOM 833 N LYS A 57 10.471 3.421 3.750 1.00 0.25 N ATOM 834 CA LYS A 57 9.955 4.665 4.267 1.00 0.25 C ATOM 835 C LYS A 57 9.200 5.363 3.159 1.00 0.22 C ATOM 836 O LYS A 57 9.729 5.535 2.044 1.00 0.28 O ATOM 837 CB LYS A 57 11.097 5.544 4.814 1.00 0.33 C ATOM 838 CG LYS A 57 10.651 6.875 5.433 1.00 0.44 C ATOM 839 CD LYS A 57 9.597 6.681 6.529 1.00 0.89 C ATOM 840 CE LYS A 57 10.083 5.809 7.685 1.00 1.46 C ATOM 841 NZ LYS A 57 11.127 6.471 8.483 1.00 2.12 N ATOM 0 H LYS A 57 11.055 3.522 2.920 1.00 0.25 H new ATOM 0 HA LYS A 57 9.278 4.473 5.099 1.00 0.25 H new ATOM 0 HB2 LYS A 57 11.644 4.976 5.566 1.00 0.33 H new ATOM 0 HB3 LYS A 57 11.795 5.753 4.003 1.00 0.33 H new ATOM 0 HG2 LYS A 57 11.517 7.387 5.851 1.00 0.44 H new ATOM 0 HG3 LYS A 57 10.246 7.519 4.652 1.00 0.44 H new ATOM 0 HD2 LYS A 57 9.302 7.656 6.917 1.00 0.89 H new ATOM 0 HD3 LYS A 57 8.706 6.230 6.092 1.00 0.89 H new ATOM 0 HE2 LYS A 57 9.240 5.560 8.329 1.00 1.46 H new ATOM 0 HE3 LYS A 57 10.471 4.870 7.291 1.00 1.46 H new ATOM 0 HZ1 LYS A 57 11.425 5.841 9.255 1.00 2.12 H new ATOM 0 HZ2 LYS A 57 11.944 6.686 7.876 1.00 2.12 H new ATOM 0 HZ3 LYS A 57 10.751 7.354 8.882 1.00 2.12 H new ATOM 855 N ILE A 58 7.978 5.724 3.422 1.00 0.20 N ATOM 856 CA ILE A 58 7.161 6.337 2.408 1.00 0.19 C ATOM 857 C ILE A 58 6.721 7.739 2.849 1.00 0.21 C ATOM 858 O ILE A 58 5.875 7.874 3.726 1.00 0.25 O ATOM 859 CB ILE A 58 5.907 5.469 2.084 1.00 0.19 C ATOM 860 CG1 ILE A 58 6.317 4.005 1.811 1.00 0.22 C ATOM 861 CG2 ILE A 58 5.182 6.043 0.871 1.00 0.20 C ATOM 862 CD1 ILE A 58 5.169 3.064 1.523 1.00 0.24 C ATOM 0 H ILE A 58 7.523 5.606 4.327 1.00 0.20 H new ATOM 0 HA ILE A 58 7.765 6.416 1.504 1.00 0.19 H new ATOM 0 HB ILE A 58 5.238 5.486 2.944 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.003 3.987 0.964 1.00 0.22 H new ATOM 0 HG13 ILE A 58 6.867 3.630 2.674 1.00 0.22 H new ATOM 0 HG21 ILE A 58 4.306 5.433 0.648 1.00 0.20 H new ATOM 0 HG22 ILE A 58 4.868 7.065 1.085 1.00 0.20 H new ATOM 0 HG23 ILE A 58 5.853 6.042 0.012 1.00 0.20 H new ATOM 0 HD11 ILE A 58 5.557 2.061 1.344 1.00 0.24 H new ATOM 0 HD12 ILE A 58 4.492 3.045 2.377 1.00 0.24 H new ATOM 0 HD13 ILE A 58 4.630 3.407 0.640 1.00 0.24 H new ATOM 874 N PRO A 59 7.322 8.796 2.283 1.00 0.23 N ATOM 875 CA PRO A 59 6.942 10.192 2.576 1.00 0.28 C ATOM 876 C PRO A 59 5.623 10.546 1.917 1.00 0.24 C ATOM 877 O PRO A 59 5.183 9.838 1.012 1.00 0.21 O ATOM 878 CB PRO A 59 8.044 10.989 1.899 1.00 0.33 C ATOM 879 CG PRO A 59 8.438 10.131 0.771 1.00 0.30 C ATOM 880 CD PRO A 59 8.423 8.738 1.313 1.00 0.25 C ATOM 0 HA PRO A 59 6.830 10.378 3.644 1.00 0.28 H new ATOM 0 HB2 PRO A 59 7.687 11.961 1.559 1.00 0.33 H new ATOM 0 HB3 PRO A 59 8.879 11.174 2.574 1.00 0.33 H new ATOM 0 HG2 PRO A 59 7.745 10.236 -0.064 1.00 0.30 H new ATOM 0 HG3 PRO A 59 9.427 10.398 0.400 1.00 0.30 H new ATOM 0 HD2 PRO A 59 8.240 7.999 0.533 1.00 0.25 H new ATOM 0 HD3 PRO A 59 9.369 8.475 1.786 1.00 0.25 H new ATOM 888 N ASP A 60 5.042 11.670 2.326 1.00 0.30 N ATOM 889 CA ASP A 60 3.745 12.173 1.821 1.00 0.34 C ATOM 890 C ASP A 60 3.694 12.154 0.310 1.00 0.31 C ATOM 891 O ASP A 60 2.735 11.655 -0.278 1.00 0.36 O ATOM 892 CB ASP A 60 3.491 13.613 2.290 1.00 0.51 C ATOM 893 CG ASP A 60 3.451 13.766 3.784 1.00 1.25 C ATOM 894 OD1 ASP A 60 4.520 13.741 4.416 1.00 1.98 O ATOM 895 OD2 ASP A 60 2.360 13.950 4.358 1.00 1.92 O ATOM 0 H ASP A 60 5.459 12.277 3.032 1.00 0.30 H new ATOM 0 HA ASP A 60 2.978 11.510 2.221 1.00 0.34 H new ATOM 0 HB2 ASP A 60 4.272 14.259 1.889 1.00 0.51 H new ATOM 0 HB3 ASP A 60 2.545 13.959 1.873 1.00 0.51 H new ATOM 900 N ASP A 61 4.756 12.657 -0.313 1.00 0.30 N ATOM 901 CA ASP A 61 4.847 12.731 -1.774 1.00 0.37 C ATOM 902 C ASP A 61 4.783 11.357 -2.419 1.00 0.33 C ATOM 903 O ASP A 61 4.199 11.186 -3.470 1.00 0.46 O ATOM 904 CB ASP A 61 6.118 13.453 -2.220 1.00 0.50 C ATOM 905 CG ASP A 61 6.205 13.605 -3.737 1.00 1.16 C ATOM 906 OD1 ASP A 61 5.600 14.558 -4.288 1.00 1.16 O ATOM 907 OD2 ASP A 61 6.895 12.802 -4.402 1.00 2.06 O ATOM 0 H ASP A 61 5.574 13.023 0.174 1.00 0.30 H new ATOM 0 HA ASP A 61 3.982 13.305 -2.107 1.00 0.37 H new ATOM 0 HB2 ASP A 61 6.153 14.439 -1.757 1.00 0.50 H new ATOM 0 HB3 ASP A 61 6.988 12.903 -1.863 1.00 0.50 H new ATOM 912 N ASP A 62 5.346 10.376 -1.781 1.00 0.25 N ATOM 913 CA ASP A 62 5.329 9.037 -2.337 1.00 0.25 C ATOM 914 C ASP A 62 4.059 8.301 -1.957 1.00 0.23 C ATOM 915 O ASP A 62 3.553 7.504 -2.734 1.00 0.28 O ATOM 916 CB ASP A 62 6.595 8.247 -2.006 1.00 0.26 C ATOM 917 CG ASP A 62 7.813 8.798 -2.735 1.00 0.36 C ATOM 918 OD1 ASP A 62 8.071 8.408 -3.876 1.00 0.52 O ATOM 919 OD2 ASP A 62 8.556 9.610 -2.156 1.00 0.44 O ATOM 0 H ASP A 62 5.821 10.465 -0.883 1.00 0.25 H new ATOM 0 HA ASP A 62 5.326 9.137 -3.422 1.00 0.25 H new ATOM 0 HB2 ASP A 62 6.771 8.277 -0.931 1.00 0.26 H new ATOM 0 HB3 ASP A 62 6.452 7.201 -2.277 1.00 0.26 H new ATOM 924 N VAL A 63 3.522 8.614 -0.767 1.00 0.22 N ATOM 925 CA VAL A 63 2.227 8.091 -0.295 1.00 0.26 C ATOM 926 C VAL A 63 1.165 8.366 -1.361 1.00 0.29 C ATOM 927 O VAL A 63 0.460 7.468 -1.800 1.00 0.38 O ATOM 928 CB VAL A 63 1.795 8.794 1.051 1.00 0.27 C ATOM 929 CG1 VAL A 63 0.394 8.400 1.463 1.00 0.31 C ATOM 930 CG2 VAL A 63 2.746 8.459 2.181 1.00 0.27 C ATOM 0 H VAL A 63 3.975 9.240 -0.101 1.00 0.22 H new ATOM 0 HA VAL A 63 2.325 7.020 -0.115 1.00 0.26 H new ATOM 0 HB VAL A 63 1.824 9.867 0.859 1.00 0.27 H new ATOM 0 HG11 VAL A 63 0.133 8.904 2.394 1.00 0.31 H new ATOM 0 HG12 VAL A 63 -0.310 8.691 0.683 1.00 0.31 H new ATOM 0 HG13 VAL A 63 0.348 7.321 1.610 1.00 0.31 H new ATOM 0 HG21 VAL A 63 2.419 8.959 3.092 1.00 0.27 H new ATOM 0 HG22 VAL A 63 2.754 7.381 2.342 1.00 0.27 H new ATOM 0 HG23 VAL A 63 3.750 8.795 1.923 1.00 0.27 H new ATOM 940 N LYS A 64 1.115 9.610 -1.796 1.00 0.27 N ATOM 941 CA LYS A 64 0.134 10.068 -2.791 1.00 0.34 C ATOM 942 C LYS A 64 0.426 9.548 -4.219 1.00 0.32 C ATOM 943 O LYS A 64 -0.391 9.722 -5.125 1.00 0.38 O ATOM 944 CB LYS A 64 0.060 11.593 -2.781 1.00 0.44 C ATOM 945 CG LYS A 64 1.395 12.233 -3.057 1.00 0.83 C ATOM 946 CD LYS A 64 1.379 13.730 -2.937 1.00 0.73 C ATOM 947 CE LYS A 64 0.537 14.379 -4.011 1.00 1.59 C ATOM 948 NZ LYS A 64 0.670 15.841 -3.976 1.00 2.16 N ATOM 0 H LYS A 64 1.750 10.342 -1.476 1.00 0.27 H new ATOM 0 HA LYS A 64 -0.830 9.648 -2.505 1.00 0.34 H new ATOM 0 HB2 LYS A 64 -0.661 11.924 -3.529 1.00 0.44 H new ATOM 0 HB3 LYS A 64 -0.308 11.930 -1.812 1.00 0.44 H new ATOM 0 HG2 LYS A 64 2.133 11.829 -2.364 1.00 0.83 H new ATOM 0 HG3 LYS A 64 1.719 11.961 -4.062 1.00 0.83 H new ATOM 0 HD2 LYS A 64 0.994 14.010 -1.957 1.00 0.73 H new ATOM 0 HD3 LYS A 64 2.399 14.109 -2.999 1.00 0.73 H new ATOM 0 HE2 LYS A 64 0.840 14.007 -4.990 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -0.508 14.103 -3.874 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 0.082 16.261 -4.724 1.00 2.16 H new ATOM 0 HZ2 LYS A 64 0.358 16.196 -3.049 1.00 2.16 H new ATOM 0 HZ3 LYS A 64 1.665 16.103 -4.130 1.00 2.16 H new ATOM 962 N ASN A 65 1.579 8.936 -4.417 1.00 0.26 N ATOM 963 CA ASN A 65 1.935 8.371 -5.728 1.00 0.29 C ATOM 964 C ASN A 65 1.465 6.968 -5.822 1.00 0.28 C ATOM 965 O ASN A 65 1.223 6.438 -6.917 1.00 0.42 O ATOM 966 CB ASN A 65 3.428 8.367 -5.954 1.00 0.36 C ATOM 967 CG ASN A 65 3.940 9.558 -6.744 1.00 0.90 C ATOM 968 OD1 ASN A 65 4.029 9.499 -7.973 1.00 1.59 O ATOM 969 ND2 ASN A 65 4.281 10.623 -6.083 1.00 1.43 N ATOM 0 H ASN A 65 2.290 8.812 -3.696 1.00 0.26 H new ATOM 0 HA ASN A 65 1.458 8.998 -6.481 1.00 0.29 H new ATOM 0 HB2 ASN A 65 3.931 8.343 -4.987 1.00 0.36 H new ATOM 0 HB3 ASN A 65 3.703 7.452 -6.479 1.00 0.36 H new ATOM 0 HD21 ASN A 65 4.634 11.441 -6.580 1.00 1.43 H new ATOM 0 HD22 ASN A 65 4.196 10.642 -5.067 1.00 1.43 H new ATOM 976 N LEU A 66 1.344 6.353 -4.688 1.00 0.21 N ATOM 977 CA LEU A 66 0.917 5.021 -4.622 1.00 0.23 C ATOM 978 C LEU A 66 -0.573 5.060 -4.704 1.00 0.25 C ATOM 979 O LEU A 66 -1.233 5.610 -3.847 1.00 0.31 O ATOM 980 CB LEU A 66 1.377 4.356 -3.314 1.00 0.22 C ATOM 981 CG LEU A 66 2.856 4.534 -2.920 1.00 0.21 C ATOM 982 CD1 LEU A 66 3.203 3.686 -1.709 1.00 0.22 C ATOM 983 CD2 LEU A 66 3.794 4.239 -4.081 1.00 0.23 C ATOM 0 H LEU A 66 1.544 6.779 -3.783 1.00 0.21 H new ATOM 0 HA LEU A 66 1.344 4.431 -5.433 1.00 0.23 H new ATOM 0 HB2 LEU A 66 0.761 4.744 -2.502 1.00 0.22 H new ATOM 0 HB3 LEU A 66 1.172 3.288 -3.387 1.00 0.22 H new ATOM 0 HG LEU A 66 2.995 5.582 -2.653 1.00 0.21 H new ATOM 0 HD11 LEU A 66 4.252 3.830 -1.452 1.00 0.22 H new ATOM 0 HD12 LEU A 66 2.579 3.983 -0.866 1.00 0.22 H new ATOM 0 HD13 LEU A 66 3.027 2.635 -1.938 1.00 0.22 H new ATOM 0 HD21 LEU A 66 4.826 4.377 -3.759 1.00 0.23 H new ATOM 0 HD22 LEU A 66 3.651 3.210 -4.412 1.00 0.23 H new ATOM 0 HD23 LEU A 66 3.577 4.918 -4.905 1.00 0.23 H new ATOM 995 N LYS A 67 -1.085 4.597 -5.771 1.00 0.28 N ATOM 996 CA LYS A 67 -2.514 4.588 -5.943 1.00 0.34 C ATOM 997 C LYS A 67 -2.963 3.166 -5.936 1.00 0.30 C ATOM 998 O LYS A 67 -3.960 2.797 -5.300 1.00 0.38 O ATOM 999 CB LYS A 67 -2.893 5.229 -7.261 1.00 0.46 C ATOM 1000 CG LYS A 67 -2.285 6.593 -7.477 1.00 1.05 C ATOM 1001 CD LYS A 67 -2.674 7.135 -8.819 1.00 1.26 C ATOM 1002 CE LYS A 67 -4.131 7.554 -8.858 1.00 1.83 C ATOM 1003 NZ LYS A 67 -4.520 8.082 -10.176 1.00 2.55 N ATOM 0 H LYS A 67 -0.553 4.214 -6.552 1.00 0.28 H new ATOM 0 HA LYS A 67 -2.989 5.152 -5.140 1.00 0.34 H new ATOM 0 HB2 LYS A 67 -2.585 4.572 -8.075 1.00 0.46 H new ATOM 0 HB3 LYS A 67 -3.978 5.314 -7.313 1.00 0.46 H new ATOM 0 HG2 LYS A 67 -2.617 7.274 -6.693 1.00 1.05 H new ATOM 0 HG3 LYS A 67 -1.199 6.529 -7.405 1.00 1.05 H new ATOM 0 HD2 LYS A 67 -2.043 7.990 -9.062 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -2.493 6.379 -9.583 1.00 1.26 H new ATOM 0 HE2 LYS A 67 -4.760 6.699 -8.610 1.00 1.83 H new ATOM 0 HE3 LYS A 67 -4.310 8.313 -8.097 1.00 1.83 H new ATOM 0 HZ1 LYS A 67 -5.523 8.356 -10.158 1.00 2.55 H new ATOM 0 HZ2 LYS A 67 -3.938 8.914 -10.402 1.00 2.55 H new ATOM 0 HZ3 LYS A 67 -4.374 7.350 -10.900 1.00 2.55 H new ATOM 1017 N THR A 68 -2.222 2.351 -6.640 1.00 0.23 N ATOM 1018 CA THR A 68 -2.509 1.001 -6.686 1.00 0.19 C ATOM 1019 C THR A 68 -1.552 0.264 -5.785 1.00 0.18 C ATOM 1020 O THR A 68 -0.575 0.849 -5.274 1.00 0.20 O ATOM 1021 CB THR A 68 -2.384 0.417 -8.105 1.00 0.18 C ATOM 1022 OG1 THR A 68 -1.021 0.501 -8.541 1.00 0.21 O ATOM 1023 CG2 THR A 68 -3.267 1.161 -9.094 1.00 0.22 C ATOM 0 H THR A 68 -1.409 2.636 -7.187 1.00 0.23 H new ATOM 0 HA THR A 68 -3.542 0.879 -6.361 1.00 0.19 H new ATOM 0 HB THR A 68 -2.708 -0.623 -8.068 1.00 0.18 H new ATOM 0 HG1 THR A 68 -0.835 1.409 -8.861 1.00 0.21 H new ATOM 0 HG21 THR A 68 -3.153 0.722 -10.085 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.308 1.085 -8.781 1.00 0.22 H new ATOM 0 HG23 THR A 68 -2.973 2.210 -9.126 1.00 0.22 H new ATOM 1031 N VAL A 69 -1.768 -1.024 -5.639 1.00 0.19 N ATOM 1032 CA VAL A 69 -0.867 -1.851 -4.890 1.00 0.18 C ATOM 1033 C VAL A 69 0.332 -2.119 -5.751 1.00 0.15 C ATOM 1034 O VAL A 69 1.380 -2.527 -5.278 1.00 0.17 O ATOM 1035 CB VAL A 69 -1.507 -3.177 -4.482 1.00 0.34 C ATOM 1036 CG1 VAL A 69 -0.671 -3.911 -3.440 1.00 1.05 C ATOM 1037 CG2 VAL A 69 -2.926 -2.951 -4.023 1.00 1.21 C ATOM 0 H VAL A 69 -2.568 -1.518 -6.035 1.00 0.19 H new ATOM 0 HA VAL A 69 -0.593 -1.331 -3.972 1.00 0.18 H new ATOM 0 HB VAL A 69 -1.539 -3.827 -5.356 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -1.160 -4.849 -3.176 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.318 -4.120 -3.848 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.572 -3.290 -2.549 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -3.371 -3.903 -3.735 1.00 1.21 H new ATOM 0 HG22 VAL A 69 -2.928 -2.276 -3.167 1.00 1.21 H new ATOM 0 HG23 VAL A 69 -3.505 -2.510 -4.835 1.00 1.21 H new ATOM 1047 N GLY A 70 0.175 -1.827 -7.029 1.00 0.14 N ATOM 1048 CA GLY A 70 1.271 -1.956 -7.934 1.00 0.16 C ATOM 1049 C GLY A 70 2.284 -0.920 -7.630 1.00 0.19 C ATOM 1050 O GLY A 70 3.448 -1.229 -7.380 1.00 0.33 O ATOM 0 H GLY A 70 -0.697 -1.503 -7.448 1.00 0.14 H new ATOM 0 HA2 GLY A 70 1.713 -2.949 -7.848 1.00 0.16 H new ATOM 0 HA3 GLY A 70 0.923 -1.850 -8.961 1.00 0.16 H new ATOM 1054 N ASP A 71 1.802 0.300 -7.551 1.00 0.17 N ATOM 1055 CA ASP A 71 2.627 1.461 -7.271 1.00 0.20 C ATOM 1056 C ASP A 71 3.280 1.295 -5.937 1.00 0.17 C ATOM 1057 O ASP A 71 4.499 1.418 -5.815 1.00 0.20 O ATOM 1058 CB ASP A 71 1.798 2.754 -7.217 1.00 0.32 C ATOM 1059 CG ASP A 71 1.017 3.069 -8.459 1.00 0.87 C ATOM 1060 OD1 ASP A 71 1.609 3.405 -9.504 1.00 1.28 O ATOM 1061 OD2 ASP A 71 -0.226 2.985 -8.412 1.00 1.39 O ATOM 0 H ASP A 71 0.814 0.520 -7.680 1.00 0.17 H new ATOM 0 HA ASP A 71 3.360 1.537 -8.074 1.00 0.20 H new ATOM 0 HB2 ASP A 71 1.104 2.686 -6.379 1.00 0.32 H new ATOM 0 HB3 ASP A 71 2.469 3.587 -7.009 1.00 0.32 H new ATOM 1066 N ALA A 72 2.446 0.983 -4.938 1.00 0.15 N ATOM 1067 CA ALA A 72 2.881 0.858 -3.559 1.00 0.13 C ATOM 1068 C ALA A 72 4.008 -0.099 -3.428 1.00 0.12 C ATOM 1069 O ALA A 72 5.116 0.277 -3.081 1.00 0.14 O ATOM 1070 CB ALA A 72 1.736 0.340 -2.703 1.00 0.13 C ATOM 0 H ALA A 72 1.450 0.811 -5.073 1.00 0.15 H new ATOM 0 HA ALA A 72 3.203 1.846 -3.231 1.00 0.13 H new ATOM 0 HB1 ALA A 72 2.068 0.248 -1.669 1.00 0.13 H new ATOM 0 HB2 ALA A 72 0.899 1.036 -2.755 1.00 0.13 H new ATOM 0 HB3 ALA A 72 1.419 -0.636 -3.071 1.00 0.13 H new ATOM 1076 N THR A 73 3.730 -1.300 -3.789 1.00 0.11 N ATOM 1077 CA THR A 73 4.627 -2.388 -3.640 1.00 0.13 C ATOM 1078 C THR A 73 5.962 -2.189 -4.351 1.00 0.16 C ATOM 1079 O THR A 73 7.021 -2.456 -3.757 1.00 0.24 O ATOM 1080 CB THR A 73 3.963 -3.665 -4.090 1.00 0.14 C ATOM 1081 OG1 THR A 73 2.728 -3.802 -3.389 1.00 0.15 O ATOM 1082 CG2 THR A 73 4.834 -4.832 -3.783 1.00 0.17 C ATOM 0 H THR A 73 2.839 -1.561 -4.212 1.00 0.11 H new ATOM 0 HA THR A 73 4.868 -2.450 -2.579 1.00 0.13 H new ATOM 0 HB THR A 73 3.790 -3.629 -5.166 1.00 0.14 H new ATOM 0 HG1 THR A 73 2.074 -3.168 -3.751 1.00 0.15 H new ATOM 0 HG21 THR A 73 4.344 -5.748 -4.112 1.00 0.17 H new ATOM 0 HG22 THR A 73 5.786 -4.722 -4.303 1.00 0.17 H new ATOM 0 HG23 THR A 73 5.011 -4.881 -2.709 1.00 0.17 H new ATOM 1090 N LYS A 74 5.908 -1.733 -5.587 1.00 0.17 N ATOM 1091 CA LYS A 74 7.086 -1.479 -6.361 1.00 0.20 C ATOM 1092 C LYS A 74 7.949 -0.497 -5.635 1.00 0.23 C ATOM 1093 O LYS A 74 9.104 -0.771 -5.378 1.00 0.45 O ATOM 1094 CB LYS A 74 6.699 -0.940 -7.725 1.00 0.25 C ATOM 1095 CG LYS A 74 6.679 -1.971 -8.861 1.00 0.98 C ATOM 1096 CD LYS A 74 5.757 -3.151 -8.591 1.00 2.21 C ATOM 1097 CE LYS A 74 5.808 -4.163 -9.733 1.00 2.92 C ATOM 1098 NZ LYS A 74 5.295 -3.614 -11.009 1.00 3.63 N ATOM 0 H LYS A 74 5.036 -1.530 -6.076 1.00 0.17 H new ATOM 0 HA LYS A 74 7.642 -2.406 -6.502 1.00 0.20 H new ATOM 0 HB2 LYS A 74 5.710 -0.488 -7.651 1.00 0.25 H new ATOM 0 HB3 LYS A 74 7.394 -0.144 -7.992 1.00 0.25 H new ATOM 0 HG2 LYS A 74 6.367 -1.479 -9.782 1.00 0.98 H new ATOM 0 HG3 LYS A 74 7.691 -2.341 -9.024 1.00 0.98 H new ATOM 0 HD2 LYS A 74 6.046 -3.636 -7.659 1.00 2.21 H new ATOM 0 HD3 LYS A 74 4.735 -2.795 -8.462 1.00 2.21 H new ATOM 0 HE2 LYS A 74 6.837 -4.495 -9.873 1.00 2.92 H new ATOM 0 HE3 LYS A 74 5.224 -5.042 -9.460 1.00 2.92 H new ATOM 0 HZ1 LYS A 74 5.209 -4.380 -11.707 1.00 3.63 H new ATOM 0 HZ2 LYS A 74 4.362 -3.183 -10.851 1.00 3.63 H new ATOM 0 HZ3 LYS A 74 5.953 -2.892 -11.366 1.00 3.63 H new ATOM 1112 N TYR A 75 7.339 0.605 -5.228 1.00 0.16 N ATOM 1113 CA TYR A 75 8.012 1.651 -4.492 1.00 0.16 C ATOM 1114 C TYR A 75 8.688 1.104 -3.255 1.00 0.16 C ATOM 1115 O TYR A 75 9.871 1.367 -3.007 1.00 0.19 O ATOM 1116 CB TYR A 75 7.016 2.702 -4.054 1.00 0.16 C ATOM 1117 CG TYR A 75 7.668 3.776 -3.209 1.00 0.18 C ATOM 1118 CD1 TYR A 75 8.692 4.576 -3.702 1.00 0.26 C ATOM 1119 CD2 TYR A 75 7.305 3.925 -1.890 1.00 0.21 C ATOM 1120 CE1 TYR A 75 9.331 5.486 -2.883 1.00 0.32 C ATOM 1121 CE2 TYR A 75 7.922 4.837 -1.085 1.00 0.26 C ATOM 1122 CZ TYR A 75 8.934 5.608 -1.569 1.00 0.28 C ATOM 1123 OH TYR A 75 9.573 6.491 -0.725 1.00 0.40 O ATOM 0 H TYR A 75 6.352 0.796 -5.404 1.00 0.16 H new ATOM 0 HA TYR A 75 8.762 2.084 -5.155 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.559 3.158 -4.932 1.00 0.16 H new ATOM 0 HB3 TYR A 75 6.215 2.229 -3.486 1.00 0.16 H new ATOM 0 HD1 TYR A 75 8.991 4.485 -4.736 1.00 0.26 H new ATOM 0 HD2 TYR A 75 6.517 3.308 -1.485 1.00 0.21 H new ATOM 0 HE1 TYR A 75 10.134 6.096 -3.269 1.00 0.32 H new ATOM 0 HE2 TYR A 75 7.606 4.948 -0.058 1.00 0.26 H new ATOM 0 HH TYR A 75 9.608 6.113 0.178 1.00 0.40 H new ATOM 1133 N ILE A 76 7.917 0.375 -2.488 1.00 0.14 N ATOM 1134 CA ILE A 76 8.348 -0.209 -1.250 1.00 0.16 C ATOM 1135 C ILE A 76 9.589 -1.063 -1.464 1.00 0.17 C ATOM 1136 O ILE A 76 10.645 -0.678 -1.051 1.00 0.21 O ATOM 1137 CB ILE A 76 7.189 -1.042 -0.665 1.00 0.15 C ATOM 1138 CG1 ILE A 76 6.063 -0.109 -0.277 1.00 0.13 C ATOM 1139 CG2 ILE A 76 7.629 -1.841 0.544 1.00 0.19 C ATOM 1140 CD1 ILE A 76 4.753 -0.804 -0.098 1.00 0.13 C ATOM 0 H ILE A 76 6.945 0.168 -2.717 1.00 0.14 H new ATOM 0 HA ILE A 76 8.615 0.577 -0.544 1.00 0.16 H new ATOM 0 HB ILE A 76 6.855 -1.749 -1.424 1.00 0.15 H new ATOM 0 HG12 ILE A 76 6.326 0.400 0.650 1.00 0.13 H new ATOM 0 HG13 ILE A 76 5.957 0.659 -1.043 1.00 0.13 H new ATOM 0 HG21 ILE A 76 6.785 -2.415 0.928 1.00 0.19 H new ATOM 0 HG22 ILE A 76 8.431 -2.522 0.258 1.00 0.19 H new ATOM 0 HG23 ILE A 76 7.988 -1.162 1.318 1.00 0.19 H new ATOM 0 HD11 ILE A 76 3.990 -0.077 0.179 1.00 0.13 H new ATOM 0 HD12 ILE A 76 4.469 -1.290 -1.031 1.00 0.13 H new ATOM 0 HD13 ILE A 76 4.843 -1.553 0.689 1.00 0.13 H new ATOM 1152 N LEU A 77 9.447 -2.147 -2.197 1.00 0.17 N ATOM 1153 CA LEU A 77 10.491 -3.135 -2.476 1.00 0.20 C ATOM 1154 C LEU A 77 11.741 -2.457 -3.023 1.00 0.22 C ATOM 1155 O LEU A 77 12.874 -2.741 -2.596 1.00 0.29 O ATOM 1156 CB LEU A 77 9.888 -4.088 -3.533 1.00 0.23 C ATOM 1157 CG LEU A 77 10.668 -5.297 -4.091 1.00 0.78 C ATOM 1158 CD1 LEU A 77 9.706 -6.076 -4.929 1.00 1.08 C ATOM 1159 CD2 LEU A 77 11.834 -4.893 -4.990 1.00 1.44 C ATOM 0 H LEU A 77 8.559 -2.383 -2.641 1.00 0.17 H new ATOM 0 HA LEU A 77 10.790 -3.668 -1.573 1.00 0.20 H new ATOM 0 HB2 LEU A 77 8.963 -4.480 -3.110 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.611 -3.472 -4.389 1.00 0.23 H new ATOM 0 HG LEU A 77 11.078 -5.858 -3.252 1.00 0.78 H new ATOM 0 HD11 LEU A 77 10.211 -6.946 -5.349 1.00 1.08 H new ATOM 0 HD12 LEU A 77 8.869 -6.405 -4.312 1.00 1.08 H new ATOM 0 HD13 LEU A 77 9.335 -5.446 -5.738 1.00 1.08 H new ATOM 0 HD21 LEU A 77 12.342 -5.787 -5.350 1.00 1.44 H new ATOM 0 HD22 LEU A 77 11.458 -4.322 -5.839 1.00 1.44 H new ATOM 0 HD23 LEU A 77 12.535 -4.281 -4.423 1.00 1.44 H new ATOM 1171 N ASP A 78 11.504 -1.543 -3.919 1.00 0.22 N ATOM 1172 CA ASP A 78 12.538 -0.855 -4.671 1.00 0.29 C ATOM 1173 C ASP A 78 13.308 0.106 -3.782 1.00 0.30 C ATOM 1174 O ASP A 78 14.473 0.404 -4.021 1.00 0.36 O ATOM 1175 CB ASP A 78 11.878 -0.169 -5.890 1.00 0.45 C ATOM 1176 CG ASP A 78 12.736 0.804 -6.648 1.00 0.49 C ATOM 1177 OD1 ASP A 78 13.459 0.395 -7.563 1.00 0.63 O ATOM 1178 OD2 ASP A 78 12.644 2.015 -6.398 1.00 0.59 O ATOM 0 H ASP A 78 10.561 -1.240 -4.161 1.00 0.22 H new ATOM 0 HA ASP A 78 13.280 -1.562 -5.041 1.00 0.29 H new ATOM 0 HB2 ASP A 78 11.546 -0.944 -6.581 1.00 0.45 H new ATOM 0 HB3 ASP A 78 10.986 0.355 -5.547 1.00 0.45 H new ATOM 1183 N HIS A 79 12.657 0.567 -2.742 1.00 0.29 N ATOM 1184 CA HIS A 79 13.287 1.438 -1.775 1.00 0.36 C ATOM 1185 C HIS A 79 13.668 0.726 -0.472 1.00 0.42 C ATOM 1186 O HIS A 79 14.322 1.337 0.387 1.00 0.58 O ATOM 1187 CB HIS A 79 12.455 2.688 -1.500 1.00 0.38 C ATOM 1188 CG HIS A 79 12.580 3.764 -2.539 1.00 0.61 C ATOM 1189 ND1 HIS A 79 12.537 3.706 -3.884 1.00 0.99 N flip ATOM 1190 CD2 HIS A 79 12.760 5.097 -2.229 1.00 0.87 C flip ATOM 1191 CE1 HIS A 79 12.692 4.981 -4.356 1.00 1.25 C flip ATOM 1192 NE2 HIS A 79 12.827 5.801 -3.341 1.00 1.18 N flip ATOM 0 H HIS A 79 11.681 0.352 -2.541 1.00 0.29 H new ATOM 0 HA HIS A 79 14.222 1.755 -2.237 1.00 0.36 H new ATOM 0 HB2 HIS A 79 11.407 2.400 -1.419 1.00 0.38 H new ATOM 0 HB3 HIS A 79 12.749 3.098 -0.534 1.00 0.38 H new ATOM 0 HD1 HIS A 79 12.412 2.865 -4.448 1.00 0.99 H new ATOM 0 HD2 HIS A 79 12.834 5.500 -1.230 1.00 0.87 H new ATOM 0 HE1 HIS A 79 12.702 5.267 -5.398 1.00 1.25 H new ATOM 1201 N GLN A 80 13.247 -0.548 -0.298 1.00 0.39 N ATOM 1202 CA GLN A 80 13.633 -1.306 0.895 1.00 0.49 C ATOM 1203 C GLN A 80 15.038 -1.633 0.771 1.00 0.58 C ATOM 1204 O GLN A 80 15.890 -1.244 1.571 1.00 0.83 O ATOM 1205 CB GLN A 80 12.939 -2.631 1.006 1.00 0.67 C ATOM 1206 CG GLN A 80 11.479 -2.615 0.958 1.00 0.52 C ATOM 1207 CD GLN A 80 10.914 -4.012 0.984 1.00 0.57 C ATOM 1208 OE1 GLN A 80 9.730 -4.126 1.424 1.00 0.87 O flip ATOM 1209 NE2 GLN A 80 11.546 -4.966 0.546 1.00 0.56 N flip ATOM 0 H GLN A 80 12.655 -1.055 -0.956 1.00 0.39 H new ATOM 0 HA GLN A 80 13.378 -0.689 1.756 1.00 0.49 H new ATOM 0 HB2 GLN A 80 13.299 -3.272 0.201 1.00 0.67 H new ATOM 0 HB3 GLN A 80 13.243 -3.097 1.943 1.00 0.67 H new ATOM 0 HG2 GLN A 80 11.092 -2.048 1.805 1.00 0.52 H new ATOM 0 HG3 GLN A 80 11.148 -2.104 0.054 1.00 0.52 H new ATOM 0 HE21 GLN A 80 12.497 -4.833 0.201 1.00 0.56 H new ATOM 0 HE22 GLN A 80 11.121 -5.893 0.526 1.00 0.56 H new