USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 984 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 55 MET CE :methyl -169:sc= -0.577 (180deg=-0.845) USER MOD Set 1.2: A 89 MET CE :methyl -137:sc= -0.147 (180deg=-1.26) USER MOD Set 2.1: A 5 LYS NZ :NH3+ 175:sc= 2.44 (180deg=1.14) USER MOD Set 2.2: A 29 GLN : amide:sc= 0.291 K(o=2.7,f=-5.7) USER MOD Set 3.1: A 20 ASN : amide:sc= -0.0111 K(o=0.77,f=-1.3!) USER MOD Set 3.2: A 24 ASN : amide:sc= 0.0943 X(o=0.77,f=0.56) USER MOD Set 3.3: A 30 THR OG1 : rot -154:sc= 0.738 USER MOD Set 3.4: A 32 GLN :FLIP amide:sc= -0.0486 F(o=-2.8!,f=0.77) USER MOD Single : A 12 GLN : amide:sc= 0.752 K(o=0.75,f=-1.2) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 1.21 (180deg=1.01) USER MOD Single : A 28 TYR OH : rot 169:sc= 0.778 USER MOD Single : A 35 ASN :FLIP amide:sc= -0.312 F(o=-5.5!,f=-0.31) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.72! C(o=-2.8!,f=-1.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 139:sc= 0.447 (180deg=0.00357) USER MOD Single : A 56 LYS NZ :NH3+ -143:sc= -2.48! (180deg=-4.34!) USER MOD Single : A 60 MET CE :methyl -162:sc= -0.135 (180deg=-0.653) USER MOD Single : A 67 LYS NZ :NH3+ 170:sc= 0.514 (180deg=0.458) USER MOD Single : A 69 MET CE :methyl 150:sc= -8.58! (180deg=-11.6!) USER MOD Single : A 70 LYS NZ :NH3+ 168:sc= -2.44 (180deg=-3.43) USER MOD Single : A 75 ASN : amide:sc= 0.153 X(o=0.15,f=-0.0063) USER MOD Single : A 81 MET CE :methyl 147:sc= -4.69! (180deg=-6.52!) USER MOD Single : A 82 THR OG1 : rot -170:sc= 0.141 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.049) USER MOD Single : A 93 SER OG : rot 139:sc= -0.818 USER MOD Single : A 94 LYS NZ :NH3+ -111:sc= -1.63 (180deg=-4.09!) USER MOD Single : A 100 THR OG1 : rot -102:sc= -2.85! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 177:sc= 1.21 (180deg=1.2) USER MOD Single : A 117 LYS NZ :NH3+ 165:sc= -0.0507 (180deg=-0.278) USER MOD Single : A 118 TYR OH : rot 180:sc= -0.0373 USER MOD ----------------------------------------------------------------- ATOM 51 N GLU A 4 8.109 9.167 -3.331 1.00 0.57 N ATOM 52 CA GLU A 4 7.838 7.835 -2.788 1.00 0.38 C ATOM 53 C GLU A 4 6.901 7.916 -1.563 1.00 0.32 C ATOM 54 O GLU A 4 7.318 8.268 -0.467 1.00 0.50 O ATOM 55 CB GLU A 4 9.194 7.141 -2.505 1.00 0.52 C ATOM 56 CG GLU A 4 9.140 5.880 -1.670 1.00 0.64 C ATOM 57 CD GLU A 4 10.365 4.985 -1.831 1.00 1.56 C ATOM 58 OE1 GLU A 4 10.475 4.287 -2.859 1.00 1.85 O ATOM 59 OE2 GLU A 4 11.223 4.978 -0.925 1.00 2.30 O ATOM 0 HA GLU A 4 7.297 7.222 -3.509 1.00 0.38 H new ATOM 0 HB2 GLU A 4 9.661 6.899 -3.460 1.00 0.52 H new ATOM 0 HB3 GLU A 4 9.846 7.856 -2.003 1.00 0.52 H new ATOM 0 HG2 GLU A 4 9.037 6.154 -0.620 1.00 0.64 H new ATOM 0 HG3 GLU A 4 8.249 5.313 -1.941 1.00 0.64 H new ATOM 66 N LYS A 5 5.609 7.605 -1.786 1.00 0.21 N ATOM 67 CA LYS A 5 4.546 7.776 -0.772 1.00 0.14 C ATOM 68 C LYS A 5 3.610 6.576 -0.760 1.00 0.11 C ATOM 69 O LYS A 5 3.249 6.050 -1.818 1.00 0.12 O ATOM 70 CB LYS A 5 3.707 9.011 -1.086 1.00 0.16 C ATOM 71 CG LYS A 5 2.873 9.461 0.100 1.00 0.16 C ATOM 72 CD LYS A 5 3.354 10.791 0.639 1.00 0.30 C ATOM 73 CE LYS A 5 3.187 11.917 -0.357 1.00 0.54 C ATOM 74 NZ LYS A 5 3.685 13.202 0.199 1.00 0.80 N ATOM 0 H LYS A 5 5.272 7.229 -2.672 1.00 0.21 H new ATOM 0 HA LYS A 5 5.035 7.880 0.197 1.00 0.14 H new ATOM 0 HB2 LYS A 5 4.364 9.824 -1.394 1.00 0.16 H new ATOM 0 HB3 LYS A 5 3.049 8.796 -1.928 1.00 0.16 H new ATOM 0 HG2 LYS A 5 1.828 9.544 -0.198 1.00 0.16 H new ATOM 0 HG3 LYS A 5 2.921 8.709 0.887 1.00 0.16 H new ATOM 0 HD2 LYS A 5 2.803 11.031 1.549 1.00 0.30 H new ATOM 0 HD3 LYS A 5 4.405 10.708 0.915 1.00 0.30 H new ATOM 0 HE2 LYS A 5 3.728 11.680 -1.273 1.00 0.54 H new ATOM 0 HE3 LYS A 5 2.135 12.017 -0.625 1.00 0.54 H new ATOM 0 HZ1 LYS A 5 3.637 13.939 -0.533 1.00 0.80 H new ATOM 0 HZ2 LYS A 5 3.096 13.481 1.010 1.00 0.80 H new ATOM 0 HZ3 LYS A 5 4.671 13.087 0.510 1.00 0.80 H new ATOM 88 N ILE A 6 3.169 6.199 0.435 1.00 0.10 N ATOM 89 CA ILE A 6 2.328 5.032 0.616 1.00 0.09 C ATOM 90 C ILE A 6 1.205 5.302 1.616 1.00 0.08 C ATOM 91 O ILE A 6 1.284 6.213 2.430 1.00 0.08 O ATOM 92 CB ILE A 6 3.178 3.815 1.056 1.00 0.10 C ATOM 93 CG1 ILE A 6 3.605 3.014 -0.163 1.00 0.14 C ATOM 94 CG2 ILE A 6 2.453 2.924 2.055 1.00 0.10 C ATOM 95 CD1 ILE A 6 4.677 2.007 0.151 1.00 0.20 C ATOM 0 H ILE A 6 3.386 6.695 1.300 1.00 0.10 H new ATOM 0 HA ILE A 6 1.864 4.802 -0.343 1.00 0.09 H new ATOM 0 HB ILE A 6 4.060 4.202 1.566 1.00 0.10 H new ATOM 0 HG12 ILE A 6 2.738 2.499 -0.576 1.00 0.14 H new ATOM 0 HG13 ILE A 6 3.967 3.696 -0.932 1.00 0.14 H new ATOM 0 HG21 ILE A 6 3.095 2.087 2.329 1.00 0.10 H new ATOM 0 HG22 ILE A 6 2.209 3.501 2.947 1.00 0.10 H new ATOM 0 HG23 ILE A 6 1.535 2.545 1.605 1.00 0.10 H new ATOM 0 HD11 ILE A 6 4.943 1.464 -0.756 1.00 0.20 H new ATOM 0 HD12 ILE A 6 5.557 2.521 0.538 1.00 0.20 H new ATOM 0 HD13 ILE A 6 4.309 1.305 0.899 1.00 0.20 H new ATOM 107 N LEU A 7 0.155 4.515 1.513 1.00 0.09 N ATOM 108 CA LEU A 7 -0.994 4.603 2.388 1.00 0.08 C ATOM 109 C LEU A 7 -1.355 3.195 2.839 1.00 0.09 C ATOM 110 O LEU A 7 -1.677 2.363 2.011 1.00 0.17 O ATOM 111 CB LEU A 7 -2.135 5.191 1.581 1.00 0.10 C ATOM 112 CG LEU A 7 -3.170 5.960 2.363 1.00 0.10 C ATOM 113 CD1 LEU A 7 -4.129 6.632 1.401 1.00 0.12 C ATOM 114 CD2 LEU A 7 -3.926 5.058 3.321 1.00 0.12 C ATOM 0 H LEU A 7 0.075 3.784 0.807 1.00 0.09 H new ATOM 0 HA LEU A 7 -0.791 5.224 3.261 1.00 0.08 H new ATOM 0 HB2 LEU A 7 -1.715 5.853 0.824 1.00 0.10 H new ATOM 0 HB3 LEU A 7 -2.636 4.380 1.053 1.00 0.10 H new ATOM 0 HG LEU A 7 -2.661 6.716 2.960 1.00 0.10 H new ATOM 0 HD11 LEU A 7 -4.878 7.189 1.964 1.00 0.12 H new ATOM 0 HD12 LEU A 7 -3.578 7.316 0.756 1.00 0.12 H new ATOM 0 HD13 LEU A 7 -4.622 5.875 0.791 1.00 0.12 H new ATOM 0 HD21 LEU A 7 -4.664 5.645 3.868 1.00 0.12 H new ATOM 0 HD22 LEU A 7 -4.432 4.273 2.759 1.00 0.12 H new ATOM 0 HD23 LEU A 7 -3.226 4.607 4.025 1.00 0.12 H new ATOM 126 N ILE A 8 -1.290 2.912 4.122 1.00 0.09 N ATOM 127 CA ILE A 8 -1.583 1.558 4.594 1.00 0.10 C ATOM 128 C ILE A 8 -2.923 1.527 5.299 1.00 0.11 C ATOM 129 O ILE A 8 -3.062 2.110 6.359 1.00 0.13 O ATOM 130 CB ILE A 8 -0.522 1.026 5.576 1.00 0.12 C ATOM 131 CG1 ILE A 8 0.883 1.471 5.179 1.00 0.14 C ATOM 132 CG2 ILE A 8 -0.587 -0.486 5.648 1.00 0.15 C ATOM 133 CD1 ILE A 8 1.299 2.741 5.862 1.00 0.22 C ATOM 0 H ILE A 8 -1.043 3.580 4.852 1.00 0.09 H new ATOM 0 HA ILE A 8 -1.588 0.923 3.708 1.00 0.10 H new ATOM 0 HB ILE A 8 -0.740 1.443 6.559 1.00 0.12 H new ATOM 0 HG12 ILE A 8 1.593 0.681 5.424 1.00 0.14 H new ATOM 0 HG13 ILE A 8 0.924 1.613 4.099 1.00 0.14 H new ATOM 0 HG21 ILE A 8 0.168 -0.850 6.345 1.00 0.15 H new ATOM 0 HG22 ILE A 8 -1.575 -0.792 5.991 1.00 0.15 H new ATOM 0 HG23 ILE A 8 -0.400 -0.906 4.660 1.00 0.15 H new ATOM 0 HD11 ILE A 8 2.306 3.012 5.544 1.00 0.22 H new ATOM 0 HD12 ILE A 8 0.607 3.540 5.597 1.00 0.22 H new ATOM 0 HD13 ILE A 8 1.287 2.594 6.942 1.00 0.22 H new ATOM 145 N VAL A 9 -3.895 0.842 4.729 1.00 0.17 N ATOM 146 CA VAL A 9 -5.238 0.823 5.285 1.00 0.18 C ATOM 147 C VAL A 9 -5.519 -0.487 6.011 1.00 0.18 C ATOM 148 O VAL A 9 -6.114 -1.397 5.448 1.00 0.28 O ATOM 149 CB VAL A 9 -6.304 1.051 4.196 1.00 0.19 C ATOM 150 CG1 VAL A 9 -7.705 1.090 4.798 1.00 0.23 C ATOM 151 CG2 VAL A 9 -5.999 2.337 3.457 1.00 0.26 C ATOM 0 H VAL A 9 -3.782 0.289 3.879 1.00 0.17 H new ATOM 0 HA VAL A 9 -5.294 1.641 6.003 1.00 0.18 H new ATOM 0 HB VAL A 9 -6.275 0.218 3.493 1.00 0.19 H new ATOM 0 HG11 VAL A 9 -8.437 1.252 4.007 1.00 0.23 H new ATOM 0 HG12 VAL A 9 -7.913 0.143 5.296 1.00 0.23 H new ATOM 0 HG13 VAL A 9 -7.767 1.903 5.522 1.00 0.23 H new ATOM 0 HG21 VAL A 9 -6.752 2.501 2.686 1.00 0.26 H new ATOM 0 HG22 VAL A 9 -6.011 3.171 4.158 1.00 0.26 H new ATOM 0 HG23 VAL A 9 -5.015 2.266 2.994 1.00 0.26 H new ATOM 161 N ASP A 10 -5.073 -0.565 7.254 1.00 0.17 N ATOM 162 CA ASP A 10 -5.326 -1.723 8.108 1.00 0.18 C ATOM 163 C ASP A 10 -6.072 -1.289 9.362 1.00 0.17 C ATOM 164 O ASP A 10 -5.656 -0.337 10.026 1.00 0.32 O ATOM 165 CB ASP A 10 -4.030 -2.368 8.592 1.00 0.30 C ATOM 166 CG ASP A 10 -3.287 -3.150 7.546 1.00 1.02 C ATOM 167 OD1 ASP A 10 -2.539 -2.530 6.765 1.00 1.82 O ATOM 168 OD2 ASP A 10 -3.420 -4.387 7.543 1.00 1.26 O ATOM 0 H ASP A 10 -4.526 0.169 7.703 1.00 0.17 H new ATOM 0 HA ASP A 10 -5.900 -2.429 7.508 1.00 0.18 H new ATOM 0 HB2 ASP A 10 -3.374 -1.587 8.977 1.00 0.30 H new ATOM 0 HB3 ASP A 10 -4.260 -3.031 9.426 1.00 0.30 H new ATOM 173 N ASP A 11 -7.149 -1.971 9.710 1.00 0.29 N ATOM 174 CA ASP A 11 -7.733 -1.797 11.041 1.00 0.31 C ATOM 175 C ASP A 11 -6.939 -2.651 12.002 1.00 0.37 C ATOM 176 O ASP A 11 -6.763 -2.314 13.175 1.00 0.46 O ATOM 177 CB ASP A 11 -9.208 -2.194 11.097 1.00 0.36 C ATOM 178 CG ASP A 11 -9.825 -1.925 12.459 1.00 0.41 C ATOM 179 OD1 ASP A 11 -10.178 -0.760 12.740 1.00 0.44 O ATOM 180 OD2 ASP A 11 -9.962 -2.876 13.257 1.00 0.51 O ATOM 0 H ASP A 11 -7.633 -2.638 9.109 1.00 0.29 H new ATOM 0 HA ASP A 11 -7.688 -0.741 11.306 1.00 0.31 H new ATOM 0 HB2 ASP A 11 -9.760 -1.643 10.335 1.00 0.36 H new ATOM 0 HB3 ASP A 11 -9.306 -3.253 10.858 1.00 0.36 H new ATOM 185 N GLN A 12 -6.447 -3.763 11.471 1.00 0.43 N ATOM 186 CA GLN A 12 -5.456 -4.570 12.151 1.00 0.54 C ATOM 187 C GLN A 12 -4.119 -3.848 12.071 1.00 0.49 C ATOM 188 O GLN A 12 -3.229 -4.197 11.303 1.00 0.68 O ATOM 189 CB GLN A 12 -5.403 -5.978 11.544 1.00 0.79 C ATOM 190 CG GLN A 12 -5.369 -5.997 10.023 1.00 0.71 C ATOM 191 CD GLN A 12 -5.513 -7.398 9.451 1.00 1.24 C ATOM 192 OE1 GLN A 12 -5.141 -8.387 10.088 1.00 1.80 O ATOM 193 NE2 GLN A 12 -6.046 -7.498 8.245 1.00 2.07 N ATOM 0 H GLN A 12 -6.726 -4.126 10.559 1.00 0.43 H new ATOM 0 HA GLN A 12 -5.718 -4.701 13.201 1.00 0.54 H new ATOM 0 HB2 GLN A 12 -4.520 -6.493 11.923 1.00 0.79 H new ATOM 0 HB3 GLN A 12 -6.271 -6.542 11.885 1.00 0.79 H new ATOM 0 HG2 GLN A 12 -6.171 -5.367 9.638 1.00 0.71 H new ATOM 0 HG3 GLN A 12 -4.430 -5.563 9.679 1.00 0.71 H new ATOM 0 HE21 GLN A 12 -6.342 -6.659 7.747 1.00 2.07 H new ATOM 0 HE22 GLN A 12 -6.161 -8.415 7.813 1.00 2.07 H new ATOM 202 N TYR A 13 -4.025 -2.806 12.880 1.00 0.37 N ATOM 203 CA TYR A 13 -2.959 -1.814 12.783 1.00 0.31 C ATOM 204 C TYR A 13 -1.569 -2.396 12.999 1.00 0.32 C ATOM 205 O TYR A 13 -0.577 -1.728 12.696 1.00 0.32 O ATOM 206 CB TYR A 13 -3.196 -0.676 13.780 1.00 0.35 C ATOM 207 CG TYR A 13 -2.836 -1.030 15.208 1.00 0.53 C ATOM 208 CD1 TYR A 13 -3.671 -1.838 15.970 1.00 0.86 C ATOM 209 CD2 TYR A 13 -1.673 -0.550 15.797 1.00 0.70 C ATOM 210 CE1 TYR A 13 -3.358 -2.157 17.275 1.00 1.12 C ATOM 211 CE2 TYR A 13 -1.354 -0.864 17.103 1.00 0.98 C ATOM 212 CZ TYR A 13 -2.151 -1.694 17.818 1.00 1.14 C ATOM 213 OH TYR A 13 -1.888 -1.975 19.139 1.00 1.44 O ATOM 0 H TYR A 13 -4.691 -2.620 13.630 1.00 0.37 H new ATOM 0 HA TYR A 13 -2.992 -1.435 11.762 1.00 0.31 H new ATOM 0 HB2 TYR A 13 -2.612 0.192 13.472 1.00 0.35 H new ATOM 0 HB3 TYR A 13 -4.245 -0.384 13.741 1.00 0.35 H new ATOM 0 HD1 TYR A 13 -4.581 -2.223 15.533 1.00 0.86 H new ATOM 0 HD2 TYR A 13 -1.008 0.079 15.224 1.00 0.70 H new ATOM 0 HE1 TYR A 13 -4.033 -2.755 17.870 1.00 1.12 H new ATOM 0 HE2 TYR A 13 -0.467 -0.447 17.556 1.00 0.98 H new ATOM 0 HH TYR A 13 -1.018 -1.597 19.387 1.00 1.44 H new ATOM 223 N GLY A 14 -1.486 -3.604 13.546 1.00 0.35 N ATOM 224 CA GLY A 14 -0.201 -4.262 13.646 1.00 0.38 C ATOM 225 C GLY A 14 0.458 -4.309 12.290 1.00 0.35 C ATOM 226 O GLY A 14 1.463 -3.646 12.055 1.00 0.36 O ATOM 0 H GLY A 14 -2.276 -4.132 13.917 1.00 0.35 H new ATOM 0 HA2 GLY A 14 0.436 -3.729 14.352 1.00 0.38 H new ATOM 0 HA3 GLY A 14 -0.329 -5.273 14.033 1.00 0.38 H new ATOM 230 N ILE A 15 -0.163 -5.049 11.386 1.00 0.37 N ATOM 231 CA ILE A 15 0.228 -5.094 9.988 1.00 0.40 C ATOM 232 C ILE A 15 0.450 -3.701 9.403 1.00 0.30 C ATOM 233 O ILE A 15 1.304 -3.511 8.541 1.00 0.29 O ATOM 234 CB ILE A 15 -0.863 -5.807 9.162 1.00 0.54 C ATOM 235 CG1 ILE A 15 -1.168 -7.187 9.755 1.00 0.80 C ATOM 236 CG2 ILE A 15 -0.458 -5.922 7.699 1.00 0.79 C ATOM 237 CD1 ILE A 15 -2.231 -7.188 10.830 1.00 0.75 C ATOM 0 H ILE A 15 -0.963 -5.643 11.606 1.00 0.37 H new ATOM 0 HA ILE A 15 1.170 -5.640 9.938 1.00 0.40 H new ATOM 0 HB ILE A 15 -1.770 -5.205 9.207 1.00 0.54 H new ATOM 0 HG12 ILE A 15 -1.482 -7.852 8.951 1.00 0.80 H new ATOM 0 HG13 ILE A 15 -0.249 -7.601 10.170 1.00 0.80 H new ATOM 0 HG21 ILE A 15 -1.246 -6.429 7.142 1.00 0.79 H new ATOM 0 HG22 ILE A 15 -0.304 -4.926 7.285 1.00 0.79 H new ATOM 0 HG23 ILE A 15 0.466 -6.494 7.621 1.00 0.79 H new ATOM 0 HD11 ILE A 15 -2.382 -8.205 11.192 1.00 0.75 H new ATOM 0 HD12 ILE A 15 -1.913 -6.552 11.656 1.00 0.75 H new ATOM 0 HD13 ILE A 15 -3.166 -6.808 10.418 1.00 0.75 H new ATOM 249 N ARG A 16 -0.272 -2.727 9.923 1.00 0.25 N ATOM 250 CA ARG A 16 -0.315 -1.413 9.312 1.00 0.19 C ATOM 251 C ARG A 16 0.951 -0.632 9.605 1.00 0.20 C ATOM 252 O ARG A 16 1.565 -0.085 8.701 1.00 0.22 O ATOM 253 CB ARG A 16 -1.514 -0.630 9.811 1.00 0.16 C ATOM 254 CG ARG A 16 -2.032 0.347 8.782 1.00 0.14 C ATOM 255 CD ARG A 16 -2.516 1.618 9.429 1.00 0.12 C ATOM 256 NE ARG A 16 -3.640 1.406 10.338 1.00 0.16 N ATOM 257 CZ ARG A 16 -3.801 2.051 11.496 1.00 0.25 C ATOM 258 NH1 ARG A 16 -2.878 2.905 11.916 1.00 0.38 N ATOM 259 NH2 ARG A 16 -4.876 1.821 12.240 1.00 0.31 N ATOM 0 H ARG A 16 -0.837 -2.821 10.767 1.00 0.25 H new ATOM 0 HA ARG A 16 -0.400 -1.556 8.235 1.00 0.19 H new ATOM 0 HB2 ARG A 16 -2.310 -1.323 10.083 1.00 0.16 H new ATOM 0 HB3 ARG A 16 -1.240 -0.089 10.716 1.00 0.16 H new ATOM 0 HG2 ARG A 16 -1.242 0.578 8.067 1.00 0.14 H new ATOM 0 HG3 ARG A 16 -2.846 -0.111 8.220 1.00 0.14 H new ATOM 0 HD2 ARG A 16 -1.693 2.075 9.979 1.00 0.12 H new ATOM 0 HD3 ARG A 16 -2.812 2.324 8.653 1.00 0.12 H new ATOM 0 HE ARG A 16 -4.347 0.721 10.071 1.00 0.16 H new ATOM 0 HH11 ARG A 16 -2.043 3.070 11.354 1.00 0.38 H new ATOM 0 HH12 ARG A 16 -3.003 3.397 12.801 1.00 0.38 H new ATOM 0 HH21 ARG A 16 -5.579 1.152 11.927 1.00 0.31 H new ATOM 0 HH22 ARG A 16 -4.999 2.314 13.125 1.00 0.31 H new ATOM 273 N ILE A 17 1.331 -0.576 10.875 1.00 0.22 N ATOM 274 CA ILE A 17 2.550 0.117 11.275 1.00 0.25 C ATOM 275 C ILE A 17 3.753 -0.727 10.904 1.00 0.29 C ATOM 276 O ILE A 17 4.858 -0.217 10.723 1.00 0.31 O ATOM 277 CB ILE A 17 2.570 0.419 12.789 1.00 0.31 C ATOM 278 CG1 ILE A 17 2.476 -0.879 13.597 1.00 0.35 C ATOM 279 CG2 ILE A 17 1.429 1.357 13.152 1.00 0.30 C ATOM 280 CD1 ILE A 17 2.656 -0.687 15.086 1.00 0.56 C ATOM 0 H ILE A 17 0.814 -1.001 11.645 1.00 0.22 H new ATOM 0 HA ILE A 17 2.583 1.071 10.749 1.00 0.25 H new ATOM 0 HB ILE A 17 3.513 0.907 13.034 1.00 0.31 H new ATOM 0 HG12 ILE A 17 1.505 -1.340 13.415 1.00 0.35 H new ATOM 0 HG13 ILE A 17 3.232 -1.576 13.236 1.00 0.35 H new ATOM 0 HG21 ILE A 17 1.453 1.563 14.222 1.00 0.30 H new ATOM 0 HG22 ILE A 17 1.536 2.291 12.600 1.00 0.30 H new ATOM 0 HG23 ILE A 17 0.478 0.890 12.894 1.00 0.30 H new ATOM 0 HD11 ILE A 17 2.576 -1.651 15.589 1.00 0.56 H new ATOM 0 HD12 ILE A 17 3.638 -0.256 15.281 1.00 0.56 H new ATOM 0 HD13 ILE A 17 1.884 -0.016 15.462 1.00 0.56 H new ATOM 292 N LEU A 18 3.513 -2.023 10.794 1.00 0.32 N ATOM 293 CA LEU A 18 4.491 -2.947 10.263 1.00 0.37 C ATOM 294 C LEU A 18 4.849 -2.549 8.831 1.00 0.33 C ATOM 295 O LEU A 18 5.977 -2.137 8.564 1.00 0.32 O ATOM 296 CB LEU A 18 3.928 -4.367 10.342 1.00 0.44 C ATOM 297 CG LEU A 18 4.483 -5.381 9.347 1.00 0.49 C ATOM 298 CD1 LEU A 18 5.991 -5.524 9.497 1.00 0.53 C ATOM 299 CD2 LEU A 18 3.804 -6.726 9.544 1.00 0.58 C ATOM 0 H LEU A 18 2.634 -2.460 11.071 1.00 0.32 H new ATOM 0 HA LEU A 18 5.409 -2.914 10.850 1.00 0.37 H new ATOM 0 HB2 LEU A 18 4.104 -4.747 11.348 1.00 0.44 H new ATOM 0 HB3 LEU A 18 2.848 -4.313 10.206 1.00 0.44 H new ATOM 0 HG LEU A 18 4.277 -5.021 8.339 1.00 0.49 H new ATOM 0 HD11 LEU A 18 6.361 -6.253 8.776 1.00 0.53 H new ATOM 0 HD12 LEU A 18 6.468 -4.561 9.316 1.00 0.53 H new ATOM 0 HD13 LEU A 18 6.226 -5.861 10.507 1.00 0.53 H new ATOM 0 HD21 LEU A 18 4.206 -7.445 8.830 1.00 0.58 H new ATOM 0 HD22 LEU A 18 3.987 -7.081 10.558 1.00 0.58 H new ATOM 0 HD23 LEU A 18 2.731 -6.619 9.386 1.00 0.58 H new ATOM 311 N LEU A 19 3.876 -2.644 7.928 1.00 0.30 N ATOM 312 CA LEU A 19 4.045 -2.178 6.549 1.00 0.27 C ATOM 313 C LEU A 19 4.499 -0.723 6.524 1.00 0.22 C ATOM 314 O LEU A 19 5.353 -0.346 5.721 1.00 0.22 O ATOM 315 CB LEU A 19 2.726 -2.280 5.778 1.00 0.31 C ATOM 316 CG LEU A 19 2.151 -3.683 5.608 1.00 0.57 C ATOM 317 CD1 LEU A 19 0.724 -3.585 5.097 1.00 1.23 C ATOM 318 CD2 LEU A 19 3.006 -4.506 4.652 1.00 1.15 C ATOM 0 H LEU A 19 2.957 -3.041 8.125 1.00 0.30 H new ATOM 0 HA LEU A 19 4.799 -2.811 6.081 1.00 0.27 H new ATOM 0 HB2 LEU A 19 1.984 -1.665 6.287 1.00 0.31 H new ATOM 0 HB3 LEU A 19 2.874 -1.848 4.788 1.00 0.31 H new ATOM 0 HG LEU A 19 2.153 -4.187 6.575 1.00 0.57 H new ATOM 0 HD11 LEU A 19 0.312 -4.587 4.975 1.00 1.23 H new ATOM 0 HD12 LEU A 19 0.119 -3.028 5.812 1.00 1.23 H new ATOM 0 HD13 LEU A 19 0.716 -3.070 4.136 1.00 1.23 H new ATOM 0 HD21 LEU A 19 2.577 -5.502 4.546 1.00 1.15 H new ATOM 0 HD22 LEU A 19 3.035 -4.018 3.678 1.00 1.15 H new ATOM 0 HD23 LEU A 19 4.019 -4.587 5.047 1.00 1.15 H new ATOM 330 N ASN A 20 3.917 0.079 7.418 1.00 0.20 N ATOM 331 CA ASN A 20 4.229 1.498 7.520 1.00 0.19 C ATOM 332 C ASN A 20 5.729 1.687 7.613 1.00 0.21 C ATOM 333 O ASN A 20 6.347 2.192 6.684 1.00 0.22 O ATOM 334 CB ASN A 20 3.553 2.107 8.754 1.00 0.23 C ATOM 335 CG ASN A 20 3.595 3.623 8.784 1.00 0.32 C ATOM 336 OD1 ASN A 20 2.660 4.287 8.339 1.00 0.94 O ATOM 337 ND2 ASN A 20 4.660 4.180 9.328 1.00 0.50 N ATOM 0 H ASN A 20 3.218 -0.240 8.089 1.00 0.20 H new ATOM 0 HA ASN A 20 3.854 2.004 6.630 1.00 0.19 H new ATOM 0 HB2 ASN A 20 2.514 1.780 8.787 1.00 0.23 H new ATOM 0 HB3 ASN A 20 4.037 1.721 9.651 1.00 0.23 H new ATOM 0 HD21 ASN A 20 4.728 5.196 9.391 1.00 0.50 H new ATOM 0 HD22 ASN A 20 5.415 3.595 9.686 1.00 0.50 H new ATOM 344 N GLU A 21 6.301 1.241 8.725 1.00 0.24 N ATOM 345 CA GLU A 21 7.740 1.336 8.952 1.00 0.29 C ATOM 346 C GLU A 21 8.542 0.639 7.849 1.00 0.29 C ATOM 347 O GLU A 21 9.568 1.163 7.411 1.00 0.31 O ATOM 348 CB GLU A 21 8.096 0.725 10.310 1.00 0.35 C ATOM 349 CG GLU A 21 9.580 0.782 10.637 1.00 0.92 C ATOM 350 CD GLU A 21 9.925 0.043 11.912 1.00 1.79 C ATOM 351 OE1 GLU A 21 9.697 0.595 13.008 1.00 2.46 O ATOM 352 OE2 GLU A 21 10.416 -1.101 11.830 1.00 2.40 O ATOM 0 H GLU A 21 5.786 0.806 9.490 1.00 0.24 H new ATOM 0 HA GLU A 21 8.004 2.393 8.939 1.00 0.29 H new ATOM 0 HB2 GLU A 21 7.541 1.247 11.090 1.00 0.35 H new ATOM 0 HB3 GLU A 21 7.769 -0.315 10.327 1.00 0.35 H new ATOM 0 HG2 GLU A 21 10.147 0.355 9.810 1.00 0.92 H new ATOM 0 HG3 GLU A 21 9.888 1.823 10.731 1.00 0.92 H new ATOM 359 N VAL A 22 8.067 -0.525 7.390 1.00 0.28 N ATOM 360 CA VAL A 22 8.793 -1.303 6.383 1.00 0.30 C ATOM 361 C VAL A 22 9.105 -0.462 5.142 1.00 0.28 C ATOM 362 O VAL A 22 10.265 -0.346 4.752 1.00 0.34 O ATOM 363 CB VAL A 22 8.031 -2.593 5.964 1.00 0.32 C ATOM 364 CG1 VAL A 22 8.619 -3.178 4.687 1.00 0.36 C ATOM 365 CG2 VAL A 22 8.087 -3.637 7.073 1.00 0.37 C ATOM 0 H VAL A 22 7.190 -0.945 7.698 1.00 0.28 H new ATOM 0 HA VAL A 22 9.729 -1.604 6.853 1.00 0.30 H new ATOM 0 HB VAL A 22 6.991 -2.320 5.784 1.00 0.32 H new ATOM 0 HG11 VAL A 22 8.070 -4.079 4.413 1.00 0.36 H new ATOM 0 HG12 VAL A 22 8.541 -2.447 3.882 1.00 0.36 H new ATOM 0 HG13 VAL A 22 9.668 -3.427 4.850 1.00 0.36 H new ATOM 0 HG21 VAL A 22 7.548 -4.531 6.759 1.00 0.37 H new ATOM 0 HG22 VAL A 22 9.126 -3.894 7.279 1.00 0.37 H new ATOM 0 HG23 VAL A 22 7.627 -3.234 7.975 1.00 0.37 H new ATOM 375 N PHE A 23 8.087 0.144 4.539 1.00 0.23 N ATOM 376 CA PHE A 23 8.307 0.942 3.338 1.00 0.22 C ATOM 377 C PHE A 23 8.808 2.315 3.709 1.00 0.21 C ATOM 378 O PHE A 23 9.625 2.894 3.000 1.00 0.23 O ATOM 379 CB PHE A 23 7.034 1.111 2.519 1.00 0.21 C ATOM 380 CG PHE A 23 6.171 -0.111 2.453 1.00 0.26 C ATOM 381 CD1 PHE A 23 6.691 -1.329 2.058 1.00 0.35 C ATOM 382 CD2 PHE A 23 4.834 -0.036 2.801 1.00 0.27 C ATOM 383 CE1 PHE A 23 5.890 -2.448 2.008 1.00 0.43 C ATOM 384 CE2 PHE A 23 4.030 -1.151 2.755 1.00 0.35 C ATOM 385 CZ PHE A 23 4.557 -2.358 2.359 1.00 0.41 C ATOM 0 H PHE A 23 7.118 0.100 4.855 1.00 0.23 H new ATOM 0 HA PHE A 23 9.044 0.407 2.739 1.00 0.22 H new ATOM 0 HB2 PHE A 23 6.451 1.929 2.942 1.00 0.21 H new ATOM 0 HB3 PHE A 23 7.306 1.404 1.505 1.00 0.21 H new ATOM 0 HD1 PHE A 23 7.734 -1.404 1.786 1.00 0.35 H new ATOM 0 HD2 PHE A 23 4.416 0.910 3.113 1.00 0.27 H new ATOM 0 HE1 PHE A 23 6.304 -3.395 1.695 1.00 0.43 H new ATOM 0 HE2 PHE A 23 2.988 -1.079 3.029 1.00 0.35 H new ATOM 0 HZ PHE A 23 3.929 -3.236 2.322 1.00 0.41 H new ATOM 395 N ASN A 24 8.303 2.838 4.824 1.00 0.19 N ATOM 396 CA ASN A 24 8.643 4.182 5.266 1.00 0.19 C ATOM 397 C ASN A 24 10.161 4.331 5.260 1.00 0.24 C ATOM 398 O ASN A 24 10.719 5.273 4.698 1.00 0.24 O ATOM 399 CB ASN A 24 8.086 4.429 6.681 1.00 0.21 C ATOM 400 CG ASN A 24 7.992 5.900 7.024 1.00 0.23 C ATOM 401 OD1 ASN A 24 8.974 6.525 7.424 1.00 0.28 O ATOM 402 ND2 ASN A 24 6.793 6.455 6.899 1.00 0.26 N ATOM 0 H ASN A 24 7.654 2.346 5.438 1.00 0.19 H new ATOM 0 HA ASN A 24 8.202 4.916 4.592 1.00 0.19 H new ATOM 0 HB2 ASN A 24 7.097 3.978 6.761 1.00 0.21 H new ATOM 0 HB3 ASN A 24 8.724 3.930 7.410 1.00 0.21 H new ATOM 0 HD21 ASN A 24 6.658 7.437 7.139 1.00 0.26 H new ATOM 0 HD22 ASN A 24 6.006 5.899 6.563 1.00 0.26 H new ATOM 409 N LYS A 25 10.793 3.319 5.838 1.00 0.32 N ATOM 410 CA LYS A 25 12.248 3.231 5.980 1.00 0.41 C ATOM 411 C LYS A 25 12.977 3.214 4.629 1.00 0.41 C ATOM 412 O LYS A 25 14.065 3.779 4.509 1.00 0.47 O ATOM 413 CB LYS A 25 12.587 1.976 6.789 1.00 0.51 C ATOM 414 CG LYS A 25 14.065 1.668 6.898 1.00 0.59 C ATOM 415 CD LYS A 25 14.424 0.561 5.931 1.00 1.02 C ATOM 416 CE LYS A 25 13.759 -0.748 6.318 1.00 2.32 C ATOM 417 NZ LYS A 25 13.973 -1.799 5.295 1.00 3.25 N ATOM 0 H LYS A 25 10.302 2.516 6.231 1.00 0.32 H new ATOM 0 HA LYS A 25 12.593 4.125 6.500 1.00 0.41 H new ATOM 0 HB2 LYS A 25 12.179 2.088 7.794 1.00 0.51 H new ATOM 0 HB3 LYS A 25 12.085 1.122 6.334 1.00 0.51 H new ATOM 0 HG2 LYS A 25 14.650 2.561 6.678 1.00 0.59 H new ATOM 0 HG3 LYS A 25 14.311 1.369 7.917 1.00 0.59 H new ATOM 0 HD2 LYS A 25 14.118 0.842 4.923 1.00 1.02 H new ATOM 0 HD3 LYS A 25 15.506 0.430 5.911 1.00 1.02 H new ATOM 0 HE2 LYS A 25 14.154 -1.087 7.275 1.00 2.32 H new ATOM 0 HE3 LYS A 25 12.690 -0.586 6.454 1.00 2.32 H new ATOM 0 HZ1 LYS A 25 13.685 -2.721 5.680 1.00 3.25 H new ATOM 0 HZ2 LYS A 25 13.404 -1.583 4.451 1.00 3.25 H new ATOM 0 HZ3 LYS A 25 14.980 -1.831 5.035 1.00 3.25 H new ATOM 431 N GLU A 26 12.388 2.565 3.618 1.00 0.42 N ATOM 432 CA GLU A 26 12.952 2.564 2.258 1.00 0.53 C ATOM 433 C GLU A 26 13.145 3.981 1.795 1.00 0.45 C ATOM 434 O GLU A 26 14.070 4.308 1.052 1.00 0.66 O ATOM 435 CB GLU A 26 12.011 1.885 1.279 1.00 0.91 C ATOM 436 CG GLU A 26 11.475 0.584 1.790 1.00 0.40 C ATOM 437 CD GLU A 26 12.566 -0.448 2.017 1.00 0.79 C ATOM 438 OE1 GLU A 26 12.984 -1.108 1.045 1.00 1.43 O ATOM 439 OE2 GLU A 26 13.000 -0.609 3.179 1.00 1.45 O ATOM 0 H GLU A 26 11.522 2.034 3.713 1.00 0.42 H new ATOM 0 HA GLU A 26 13.900 2.026 2.290 1.00 0.53 H new ATOM 0 HB2 GLU A 26 11.179 2.554 1.060 1.00 0.91 H new ATOM 0 HB3 GLU A 26 12.536 1.712 0.340 1.00 0.91 H new ATOM 0 HG2 GLU A 26 10.943 0.757 2.726 1.00 0.40 H new ATOM 0 HG3 GLU A 26 10.749 0.190 1.079 1.00 0.40 H new ATOM 446 N GLY A 27 12.256 4.808 2.284 1.00 0.38 N ATOM 447 CA GLY A 27 12.138 6.153 1.832 1.00 0.44 C ATOM 448 C GLY A 27 10.691 6.503 1.709 1.00 0.37 C ATOM 449 O GLY A 27 10.335 7.675 1.562 1.00 0.44 O ATOM 0 H GLY A 27 11.591 4.555 3.015 1.00 0.38 H new ATOM 0 HA2 GLY A 27 12.630 6.829 2.531 1.00 0.44 H new ATOM 0 HA3 GLY A 27 12.636 6.271 0.870 1.00 0.44 H new ATOM 453 N TYR A 28 9.839 5.483 1.814 1.00 0.26 N ATOM 454 CA TYR A 28 8.452 5.677 1.481 1.00 0.24 C ATOM 455 C TYR A 28 7.781 6.574 2.472 1.00 0.24 C ATOM 456 O TYR A 28 8.190 6.712 3.626 1.00 0.41 O ATOM 457 CB TYR A 28 7.659 4.380 1.368 1.00 0.25 C ATOM 458 CG TYR A 28 7.439 3.911 -0.053 1.00 0.40 C ATOM 459 CD1 TYR A 28 6.468 4.480 -0.869 1.00 0.58 C ATOM 460 CD2 TYR A 28 8.209 2.878 -0.576 1.00 0.57 C ATOM 461 CE1 TYR A 28 6.272 4.029 -2.165 1.00 0.78 C ATOM 462 CE2 TYR A 28 8.019 2.423 -1.867 1.00 0.77 C ATOM 463 CZ TYR A 28 7.018 3.091 -2.682 1.00 0.87 C ATOM 464 OH TYR A 28 6.858 2.541 -3.940 1.00 1.07 O ATOM 0 H TYR A 28 10.088 4.542 2.120 1.00 0.26 H new ATOM 0 HA TYR A 28 8.458 6.141 0.495 1.00 0.24 H new ATOM 0 HB2 TYR A 28 8.181 3.599 1.920 1.00 0.25 H new ATOM 0 HB3 TYR A 28 6.690 4.516 1.848 1.00 0.25 H new ATOM 0 HD1 TYR A 28 5.857 5.285 -0.488 1.00 0.58 H new ATOM 0 HD2 TYR A 28 8.971 2.422 0.039 1.00 0.57 H new ATOM 0 HE1 TYR A 28 5.483 4.464 -2.761 1.00 0.78 H new ATOM 0 HE2 TYR A 28 8.596 1.598 -2.258 1.00 0.77 H new ATOM 0 HH TYR A 28 7.639 1.991 -4.158 1.00 1.07 H new ATOM 474 N GLN A 29 6.732 7.157 2.003 1.00 0.17 N ATOM 475 CA GLN A 29 5.989 8.106 2.754 1.00 0.16 C ATOM 476 C GLN A 29 4.682 7.486 3.118 1.00 0.12 C ATOM 477 O GLN A 29 3.636 7.840 2.586 1.00 0.13 O ATOM 478 CB GLN A 29 5.810 9.341 1.907 1.00 0.24 C ATOM 479 CG GLN A 29 6.754 10.464 2.265 1.00 0.30 C ATOM 480 CD GLN A 29 6.834 11.507 1.183 1.00 0.53 C ATOM 481 OE1 GLN A 29 6.127 12.514 1.207 1.00 1.14 O ATOM 482 NE2 GLN A 29 7.664 11.239 0.195 1.00 0.53 N ATOM 0 H GLN A 29 6.361 6.983 1.069 1.00 0.17 H new ATOM 0 HA GLN A 29 6.501 8.394 3.672 1.00 0.16 H new ATOM 0 HB2 GLN A 29 5.955 9.077 0.859 1.00 0.24 H new ATOM 0 HB3 GLN A 29 4.784 9.695 2.008 1.00 0.24 H new ATOM 0 HG2 GLN A 29 6.425 10.931 3.193 1.00 0.30 H new ATOM 0 HG3 GLN A 29 7.748 10.056 2.448 1.00 0.30 H new ATOM 0 HE21 GLN A 29 8.230 10.391 0.220 1.00 0.53 H new ATOM 0 HE22 GLN A 29 7.741 11.880 -0.595 1.00 0.53 H new ATOM 491 N THR A 30 4.761 6.523 3.996 1.00 0.11 N ATOM 492 CA THR A 30 3.637 5.678 4.253 1.00 0.10 C ATOM 493 C THR A 30 2.781 6.256 5.367 1.00 0.10 C ATOM 494 O THR A 30 3.295 6.676 6.408 1.00 0.14 O ATOM 495 CB THR A 30 4.118 4.269 4.615 1.00 0.11 C ATOM 496 OG1 THR A 30 4.632 4.244 5.949 1.00 0.14 O ATOM 497 CG2 THR A 30 5.222 3.807 3.681 1.00 0.12 C ATOM 0 H THR A 30 5.594 6.308 4.543 1.00 0.11 H new ATOM 0 HA THR A 30 3.025 5.619 3.353 1.00 0.10 H new ATOM 0 HB THR A 30 3.259 3.604 4.524 1.00 0.11 H new ATOM 0 HG1 THR A 30 5.279 3.513 6.037 1.00 0.14 H new ATOM 0 HG21 THR A 30 5.542 2.804 3.964 1.00 0.12 H new ATOM 0 HG22 THR A 30 4.850 3.794 2.656 1.00 0.12 H new ATOM 0 HG23 THR A 30 6.068 4.491 3.751 1.00 0.12 H new ATOM 505 N PHE A 31 1.477 6.311 5.133 1.00 0.09 N ATOM 506 CA PHE A 31 0.565 6.855 6.100 1.00 0.09 C ATOM 507 C PHE A 31 -0.506 5.854 6.401 1.00 0.10 C ATOM 508 O PHE A 31 -1.195 5.335 5.521 1.00 0.19 O ATOM 509 CB PHE A 31 -0.035 8.177 5.649 1.00 0.11 C ATOM 510 CG PHE A 31 0.838 9.358 5.966 1.00 0.17 C ATOM 511 CD1 PHE A 31 2.047 9.541 5.312 1.00 0.20 C ATOM 512 CD2 PHE A 31 0.456 10.276 6.931 1.00 0.27 C ATOM 513 CE1 PHE A 31 2.857 10.618 5.616 1.00 0.26 C ATOM 514 CE2 PHE A 31 1.262 11.356 7.235 1.00 0.34 C ATOM 515 CZ PHE A 31 2.464 11.526 6.578 1.00 0.30 C ATOM 0 H PHE A 31 1.036 5.981 4.274 1.00 0.09 H new ATOM 0 HA PHE A 31 1.127 7.066 7.010 1.00 0.09 H new ATOM 0 HB2 PHE A 31 -0.212 8.141 4.574 1.00 0.11 H new ATOM 0 HB3 PHE A 31 -1.005 8.311 6.127 1.00 0.11 H new ATOM 0 HD1 PHE A 31 2.359 8.834 4.557 1.00 0.20 H new ATOM 0 HD2 PHE A 31 -0.482 10.146 7.451 1.00 0.27 H new ATOM 0 HE1 PHE A 31 3.797 10.749 5.101 1.00 0.26 H new ATOM 0 HE2 PHE A 31 0.952 12.067 7.986 1.00 0.34 H new ATOM 0 HZ PHE A 31 3.096 12.369 6.817 1.00 0.30 H new ATOM 525 N GLN A 32 -0.597 5.584 7.657 1.00 0.12 N ATOM 526 CA GLN A 32 -1.431 4.550 8.182 1.00 0.10 C ATOM 527 C GLN A 32 -2.897 4.995 8.304 1.00 0.09 C ATOM 528 O GLN A 32 -3.218 5.984 8.960 1.00 0.12 O ATOM 529 CB GLN A 32 -0.856 4.138 9.533 1.00 0.12 C ATOM 530 CG GLN A 32 -0.142 5.262 10.258 1.00 0.14 C ATOM 531 CD GLN A 32 0.604 4.774 11.481 1.00 0.18 C ATOM 532 OE1 GLN A 32 1.857 4.392 11.281 1.00 0.22 O flip ATOM 533 NE2 GLN A 32 0.060 4.733 12.584 1.00 0.19 N flip ATOM 0 H GLN A 32 -0.077 6.091 8.373 1.00 0.12 H new ATOM 0 HA GLN A 32 -1.439 3.701 7.499 1.00 0.10 H new ATOM 0 HB2 GLN A 32 -1.663 3.766 10.164 1.00 0.12 H new ATOM 0 HB3 GLN A 32 -0.160 3.312 9.385 1.00 0.12 H new ATOM 0 HG2 GLN A 32 0.559 5.744 9.576 1.00 0.14 H new ATOM 0 HG3 GLN A 32 -0.868 6.018 10.556 1.00 0.14 H new ATOM 0 HE21 GLN A 32 -0.908 5.039 12.687 1.00 0.19 H new ATOM 0 HE22 GLN A 32 0.577 4.394 13.395 1.00 0.19 H new ATOM 542 N ALA A 33 -3.761 4.254 7.640 1.00 0.09 N ATOM 543 CA ALA A 33 -5.206 4.423 7.718 1.00 0.08 C ATOM 544 C ALA A 33 -5.815 3.132 8.210 1.00 0.11 C ATOM 545 O ALA A 33 -5.339 2.060 7.877 1.00 0.23 O ATOM 546 CB ALA A 33 -5.776 4.792 6.354 1.00 0.10 C ATOM 0 H ALA A 33 -3.476 3.499 7.016 1.00 0.09 H new ATOM 0 HA ALA A 33 -5.444 5.232 8.409 1.00 0.08 H new ATOM 0 HB1 ALA A 33 -6.856 4.914 6.432 1.00 0.10 H new ATOM 0 HB2 ALA A 33 -5.329 5.726 6.013 1.00 0.10 H new ATOM 0 HB3 ALA A 33 -5.551 4.000 5.639 1.00 0.10 H new ATOM 552 N ALA A 34 -6.830 3.221 9.032 1.00 0.09 N ATOM 553 CA ALA A 34 -7.509 2.019 9.476 1.00 0.10 C ATOM 554 C ALA A 34 -8.756 1.803 8.661 1.00 0.12 C ATOM 555 O ALA A 34 -9.360 0.733 8.692 1.00 0.18 O ATOM 556 CB ALA A 34 -7.848 2.082 10.952 1.00 0.14 C ATOM 0 H ALA A 34 -7.203 4.094 9.405 1.00 0.09 H new ATOM 0 HA ALA A 34 -6.833 1.177 9.330 1.00 0.10 H new ATOM 0 HB1 ALA A 34 -8.356 1.164 11.248 1.00 0.14 H new ATOM 0 HB2 ALA A 34 -6.931 2.193 11.531 1.00 0.14 H new ATOM 0 HB3 ALA A 34 -8.501 2.934 11.139 1.00 0.14 H new ATOM 562 N ASN A 35 -9.137 2.824 7.914 1.00 0.10 N ATOM 563 CA ASN A 35 -10.367 2.758 7.166 1.00 0.13 C ATOM 564 C ASN A 35 -10.281 3.545 5.878 1.00 0.10 C ATOM 565 O ASN A 35 -9.386 4.360 5.703 1.00 0.08 O ATOM 566 CB ASN A 35 -11.532 3.240 8.028 1.00 0.17 C ATOM 567 CG ASN A 35 -11.207 4.542 8.730 1.00 0.20 C ATOM 568 OD1 ASN A 35 -11.687 5.645 8.196 1.00 0.29 O flip ATOM 569 ND2 ASN A 35 -10.550 4.553 9.768 1.00 0.19 N flip ATOM 0 H ASN A 35 -8.616 3.695 7.813 1.00 0.10 H new ATOM 0 HA ASN A 35 -10.541 1.717 6.893 1.00 0.13 H new ATOM 0 HB2 ASN A 35 -12.416 3.374 7.404 1.00 0.17 H new ATOM 0 HB3 ASN A 35 -11.777 2.478 8.768 1.00 0.17 H new ATOM 0 HD21 ASN A 35 -10.193 3.679 10.155 1.00 0.19 H new ATOM 0 HD22 ASN A 35 -10.362 5.436 10.243 1.00 0.19 H new ATOM 576 N GLY A 36 -11.236 3.298 4.992 1.00 0.12 N ATOM 577 CA GLY A 36 -11.224 3.891 3.662 1.00 0.14 C ATOM 578 C GLY A 36 -11.445 5.380 3.668 1.00 0.11 C ATOM 579 O GLY A 36 -11.092 6.072 2.719 1.00 0.13 O ATOM 0 H GLY A 36 -12.033 2.687 5.172 1.00 0.12 H new ATOM 0 HA2 GLY A 36 -10.268 3.675 3.185 1.00 0.14 H new ATOM 0 HA3 GLY A 36 -11.997 3.419 3.055 1.00 0.14 H new ATOM 583 N LEU A 37 -12.030 5.874 4.736 1.00 0.11 N ATOM 584 CA LEU A 37 -12.282 7.294 4.870 1.00 0.13 C ATOM 585 C LEU A 37 -11.044 7.966 5.343 1.00 0.10 C ATOM 586 O LEU A 37 -10.668 9.038 4.880 1.00 0.11 O ATOM 587 CB LEU A 37 -13.330 7.554 5.913 1.00 0.17 C ATOM 588 CG LEU A 37 -14.771 7.155 5.565 1.00 0.23 C ATOM 589 CD1 LEU A 37 -15.152 7.672 4.186 1.00 0.27 C ATOM 590 CD2 LEU A 37 -14.958 5.645 5.645 1.00 0.28 C ATOM 0 H LEU A 37 -12.342 5.312 5.528 1.00 0.11 H new ATOM 0 HA LEU A 37 -12.608 7.668 3.899 1.00 0.13 H new ATOM 0 HB2 LEU A 37 -13.042 7.026 6.822 1.00 0.17 H new ATOM 0 HB3 LEU A 37 -13.320 8.619 6.146 1.00 0.17 H new ATOM 0 HG LEU A 37 -15.433 7.613 6.300 1.00 0.23 H new ATOM 0 HD11 LEU A 37 -16.177 7.379 3.958 1.00 0.27 H new ATOM 0 HD12 LEU A 37 -15.074 8.759 4.170 1.00 0.27 H new ATOM 0 HD13 LEU A 37 -14.479 7.249 3.440 1.00 0.27 H new ATOM 0 HD21 LEU A 37 -15.988 5.392 5.394 1.00 0.28 H new ATOM 0 HD22 LEU A 37 -14.283 5.157 4.942 1.00 0.28 H new ATOM 0 HD23 LEU A 37 -14.737 5.304 6.657 1.00 0.28 H new ATOM 602 N GLN A 38 -10.433 7.311 6.299 1.00 0.10 N ATOM 603 CA GLN A 38 -9.190 7.749 6.832 1.00 0.11 C ATOM 604 C GLN A 38 -8.203 7.679 5.700 1.00 0.10 C ATOM 605 O GLN A 38 -7.370 8.544 5.540 1.00 0.15 O ATOM 606 CB GLN A 38 -8.801 6.861 8.019 1.00 0.19 C ATOM 607 CG GLN A 38 -7.341 6.905 8.370 1.00 0.36 C ATOM 608 CD GLN A 38 -7.078 7.096 9.852 1.00 0.67 C ATOM 609 OE1 GLN A 38 -5.945 6.597 10.324 1.00 0.99 O flip ATOM 610 NE2 GLN A 38 -7.878 7.699 10.566 1.00 1.29 N flip ATOM 0 H GLN A 38 -10.795 6.457 6.723 1.00 0.10 H new ATOM 0 HA GLN A 38 -9.229 8.768 7.217 1.00 0.11 H new ATOM 0 HB2 GLN A 38 -9.382 7.164 8.890 1.00 0.19 H new ATOM 0 HB3 GLN A 38 -9.078 5.831 7.794 1.00 0.19 H new ATOM 0 HG2 GLN A 38 -6.869 5.979 8.042 1.00 0.36 H new ATOM 0 HG3 GLN A 38 -6.867 7.717 7.818 1.00 0.36 H new ATOM 0 HE21 GLN A 38 -8.740 8.069 10.166 1.00 1.29 H new ATOM 0 HE22 GLN A 38 -7.679 7.829 11.558 1.00 1.29 H new ATOM 619 N ALA A 39 -8.402 6.674 4.859 1.00 0.10 N ATOM 620 CA ALA A 39 -7.589 6.483 3.677 1.00 0.12 C ATOM 621 C ALA A 39 -7.806 7.607 2.680 1.00 0.11 C ATOM 622 O ALA A 39 -6.853 8.154 2.131 1.00 0.13 O ATOM 623 CB ALA A 39 -7.881 5.142 3.030 1.00 0.14 C ATOM 0 H ALA A 39 -9.132 5.972 4.981 1.00 0.10 H new ATOM 0 HA ALA A 39 -6.544 6.496 3.987 1.00 0.12 H new ATOM 0 HB1 ALA A 39 -7.258 5.022 2.144 1.00 0.14 H new ATOM 0 HB2 ALA A 39 -7.664 4.342 3.737 1.00 0.14 H new ATOM 0 HB3 ALA A 39 -8.932 5.097 2.743 1.00 0.14 H new ATOM 629 N LEU A 40 -9.070 7.932 2.441 1.00 0.11 N ATOM 630 CA LEU A 40 -9.436 9.072 1.619 1.00 0.12 C ATOM 631 C LEU A 40 -8.722 10.313 2.134 1.00 0.13 C ATOM 632 O LEU A 40 -8.124 11.073 1.377 1.00 0.17 O ATOM 633 CB LEU A 40 -10.948 9.277 1.692 1.00 0.13 C ATOM 634 CG LEU A 40 -11.608 9.784 0.404 1.00 0.37 C ATOM 635 CD1 LEU A 40 -11.307 11.259 0.169 1.00 0.97 C ATOM 636 CD2 LEU A 40 -11.139 8.961 -0.786 1.00 0.19 C ATOM 0 H LEU A 40 -9.866 7.413 2.811 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.144 8.893 0.584 1.00 0.12 H new ATOM 0 HB2 LEU A 40 -11.412 8.331 1.970 1.00 0.13 H new ATOM 0 HB3 LEU A 40 -11.163 9.985 2.493 1.00 0.13 H new ATOM 0 HG LEU A 40 -12.687 9.673 0.515 1.00 0.37 H new ATOM 0 HD11 LEU A 40 -11.789 11.587 -0.752 1.00 0.97 H new ATOM 0 HD12 LEU A 40 -11.686 11.846 1.006 1.00 0.97 H new ATOM 0 HD13 LEU A 40 -10.230 11.402 0.085 1.00 0.97 H new ATOM 0 HD21 LEU A 40 -11.615 9.331 -1.694 1.00 0.19 H new ATOM 0 HD22 LEU A 40 -10.057 9.046 -0.883 1.00 0.19 H new ATOM 0 HD23 LEU A 40 -11.409 7.916 -0.635 1.00 0.19 H new ATOM 648 N ASP A 41 -8.790 10.475 3.442 1.00 0.12 N ATOM 649 CA ASP A 41 -8.123 11.553 4.146 1.00 0.13 C ATOM 650 C ASP A 41 -6.614 11.496 3.939 1.00 0.09 C ATOM 651 O ASP A 41 -5.969 12.523 3.733 1.00 0.11 O ATOM 652 CB ASP A 41 -8.466 11.453 5.631 1.00 0.20 C ATOM 653 CG ASP A 41 -7.480 12.177 6.532 1.00 0.72 C ATOM 654 OD1 ASP A 41 -7.639 13.397 6.746 1.00 0.87 O ATOM 655 OD2 ASP A 41 -6.529 11.533 7.020 1.00 1.32 O ATOM 0 H ASP A 41 -9.318 9.852 4.054 1.00 0.12 H new ATOM 0 HA ASP A 41 -8.468 12.508 3.750 1.00 0.13 H new ATOM 0 HB2 ASP A 41 -9.463 11.863 5.794 1.00 0.20 H new ATOM 0 HB3 ASP A 41 -8.503 10.402 5.917 1.00 0.20 H new ATOM 660 N ILE A 42 -6.049 10.295 3.979 1.00 0.10 N ATOM 661 CA ILE A 42 -4.625 10.135 3.771 1.00 0.10 C ATOM 662 C ILE A 42 -4.248 10.578 2.363 1.00 0.10 C ATOM 663 O ILE A 42 -3.292 11.315 2.184 1.00 0.13 O ATOM 664 CB ILE A 42 -4.139 8.687 3.914 1.00 0.12 C ATOM 665 CG1 ILE A 42 -4.721 7.942 5.126 1.00 0.14 C ATOM 666 CG2 ILE A 42 -2.626 8.669 3.966 1.00 0.12 C ATOM 667 CD1 ILE A 42 -4.454 8.568 6.469 1.00 0.12 C ATOM 0 H ILE A 42 -6.555 9.427 4.153 1.00 0.10 H new ATOM 0 HA ILE A 42 -4.154 10.744 4.543 1.00 0.10 H new ATOM 0 HB ILE A 42 -4.504 8.150 3.038 1.00 0.12 H new ATOM 0 HG12 ILE A 42 -5.800 7.858 4.993 1.00 0.14 H new ATOM 0 HG13 ILE A 42 -4.320 6.928 5.132 1.00 0.14 H new ATOM 0 HG21 ILE A 42 -2.278 7.641 4.068 1.00 0.12 H new ATOM 0 HG22 ILE A 42 -2.225 9.099 3.048 1.00 0.12 H new ATOM 0 HG23 ILE A 42 -2.284 9.254 4.820 1.00 0.12 H new ATOM 0 HD11 ILE A 42 -4.909 7.960 7.251 1.00 0.12 H new ATOM 0 HD12 ILE A 42 -3.378 8.627 6.636 1.00 0.12 H new ATOM 0 HD13 ILE A 42 -4.881 9.571 6.494 1.00 0.12 H new ATOM 679 N VAL A 43 -4.991 10.105 1.361 1.00 0.11 N ATOM 680 CA VAL A 43 -4.738 10.504 -0.023 1.00 0.12 C ATOM 681 C VAL A 43 -4.898 12.004 -0.148 1.00 0.12 C ATOM 682 O VAL A 43 -4.096 12.685 -0.754 1.00 0.15 O ATOM 683 CB VAL A 43 -5.694 9.830 -1.034 1.00 0.13 C ATOM 684 CG1 VAL A 43 -5.292 10.186 -2.460 1.00 0.14 C ATOM 685 CG2 VAL A 43 -5.728 8.325 -0.852 1.00 0.15 C ATOM 0 H VAL A 43 -5.765 9.452 1.480 1.00 0.11 H new ATOM 0 HA VAL A 43 -3.723 10.185 -0.260 1.00 0.12 H new ATOM 0 HB VAL A 43 -6.699 10.207 -0.845 1.00 0.13 H new ATOM 0 HG11 VAL A 43 -5.974 9.705 -3.161 1.00 0.14 H new ATOM 0 HG12 VAL A 43 -5.339 11.267 -2.592 1.00 0.14 H new ATOM 0 HG13 VAL A 43 -4.275 9.841 -2.648 1.00 0.14 H new ATOM 0 HG21 VAL A 43 -6.410 7.886 -1.580 1.00 0.15 H new ATOM 0 HG22 VAL A 43 -4.728 7.918 -1.001 1.00 0.15 H new ATOM 0 HG23 VAL A 43 -6.070 8.088 0.155 1.00 0.15 H new ATOM 695 N THR A 44 -5.933 12.506 0.465 1.00 0.12 N ATOM 696 CA THR A 44 -6.215 13.920 0.475 1.00 0.15 C ATOM 697 C THR A 44 -5.073 14.722 1.129 1.00 0.14 C ATOM 698 O THR A 44 -4.830 15.879 0.778 1.00 0.16 O ATOM 699 CB THR A 44 -7.545 14.126 1.217 1.00 0.23 C ATOM 700 OG1 THR A 44 -8.525 14.700 0.344 1.00 0.39 O ATOM 701 CG2 THR A 44 -7.395 14.980 2.468 1.00 0.19 C ATOM 0 H THR A 44 -6.612 11.943 0.977 1.00 0.12 H new ATOM 0 HA THR A 44 -6.296 14.290 -0.547 1.00 0.15 H new ATOM 0 HB THR A 44 -7.878 13.140 1.539 1.00 0.23 H new ATOM 0 HG1 THR A 44 -9.366 14.823 0.832 1.00 0.39 H new ATOM 0 HG21 THR A 44 -8.366 15.092 2.951 1.00 0.19 H new ATOM 0 HG22 THR A 44 -6.701 14.498 3.156 1.00 0.19 H new ATOM 0 HG23 THR A 44 -7.011 15.963 2.194 1.00 0.19 H new ATOM 709 N LYS A 45 -4.369 14.094 2.066 1.00 0.13 N ATOM 710 CA LYS A 45 -3.322 14.770 2.817 1.00 0.14 C ATOM 711 C LYS A 45 -1.939 14.579 2.174 1.00 0.13 C ATOM 712 O LYS A 45 -1.180 15.537 2.029 1.00 0.15 O ATOM 713 CB LYS A 45 -3.353 14.279 4.278 1.00 0.19 C ATOM 714 CG LYS A 45 -2.153 13.458 4.721 1.00 0.39 C ATOM 715 CD LYS A 45 -2.209 13.157 6.202 1.00 1.12 C ATOM 716 CE LYS A 45 -3.217 12.063 6.481 1.00 1.54 C ATOM 717 NZ LYS A 45 -3.710 12.106 7.879 1.00 2.42 N ATOM 0 H LYS A 45 -4.507 13.116 2.322 1.00 0.13 H new ATOM 0 HA LYS A 45 -3.511 15.843 2.801 1.00 0.14 H new ATOM 0 HB2 LYS A 45 -3.438 15.147 4.932 1.00 0.19 H new ATOM 0 HB3 LYS A 45 -4.253 13.681 4.422 1.00 0.19 H new ATOM 0 HG2 LYS A 45 -2.121 12.525 4.159 1.00 0.39 H new ATOM 0 HG3 LYS A 45 -1.235 13.999 4.492 1.00 0.39 H new ATOM 0 HD2 LYS A 45 -1.224 12.851 6.555 1.00 1.12 H new ATOM 0 HD3 LYS A 45 -2.479 14.058 6.753 1.00 1.12 H new ATOM 0 HE2 LYS A 45 -4.059 12.163 5.796 1.00 1.54 H new ATOM 0 HE3 LYS A 45 -2.761 11.092 6.287 1.00 1.54 H new ATOM 0 HZ1 LYS A 45 -4.734 11.924 7.892 1.00 2.42 H new ATOM 0 HZ2 LYS A 45 -3.222 11.380 8.442 1.00 2.42 H new ATOM 0 HZ3 LYS A 45 -3.520 13.044 8.285 1.00 2.42 H new ATOM 731 N GLU A 46 -1.626 13.351 1.775 1.00 0.13 N ATOM 732 CA GLU A 46 -0.325 13.025 1.208 1.00 0.13 C ATOM 733 C GLU A 46 -0.413 12.770 -0.286 1.00 0.13 C ATOM 734 O GLU A 46 0.492 13.127 -1.040 1.00 0.16 O ATOM 735 CB GLU A 46 0.248 11.785 1.901 1.00 0.13 C ATOM 736 CG GLU A 46 0.719 12.060 3.312 1.00 0.19 C ATOM 737 CD GLU A 46 1.578 13.305 3.399 1.00 0.29 C ATOM 738 OE1 GLU A 46 2.560 13.408 2.637 1.00 0.54 O ATOM 739 OE2 GLU A 46 1.277 14.189 4.232 1.00 0.63 O ATOM 0 H GLU A 46 -2.264 12.558 1.836 1.00 0.13 H new ATOM 0 HA GLU A 46 0.331 13.881 1.370 1.00 0.13 H new ATOM 0 HB2 GLU A 46 -0.512 11.004 1.924 1.00 0.13 H new ATOM 0 HB3 GLU A 46 1.082 11.401 1.314 1.00 0.13 H new ATOM 0 HG2 GLU A 46 -0.146 12.172 3.966 1.00 0.19 H new ATOM 0 HG3 GLU A 46 1.286 11.204 3.677 1.00 0.19 H new ATOM 746 N ARG A 47 -1.514 12.158 -0.693 1.00 0.13 N ATOM 747 CA ARG A 47 -1.687 11.659 -2.053 1.00 0.15 C ATOM 748 C ARG A 47 -0.651 10.578 -2.335 1.00 0.12 C ATOM 749 O ARG A 47 0.220 10.757 -3.188 1.00 0.15 O ATOM 750 CB ARG A 47 -1.588 12.784 -3.105 1.00 0.20 C ATOM 751 CG ARG A 47 -2.565 13.929 -2.885 1.00 0.73 C ATOM 752 CD ARG A 47 -2.513 14.947 -4.013 1.00 1.00 C ATOM 753 NE ARG A 47 -3.072 14.424 -5.259 1.00 1.88 N ATOM 754 CZ ARG A 47 -3.247 15.146 -6.363 1.00 2.63 C ATOM 755 NH1 ARG A 47 -2.909 16.428 -6.390 1.00 2.81 N ATOM 756 NH2 ARG A 47 -3.761 14.587 -7.448 1.00 3.66 N ATOM 0 H ARG A 47 -2.318 11.991 -0.088 1.00 0.13 H new ATOM 0 HA ARG A 47 -2.690 11.239 -2.129 1.00 0.15 H new ATOM 0 HB2 ARG A 47 -0.573 13.181 -3.102 1.00 0.20 H new ATOM 0 HB3 ARG A 47 -1.761 12.358 -4.094 1.00 0.20 H new ATOM 0 HG2 ARG A 47 -3.577 13.531 -2.802 1.00 0.73 H new ATOM 0 HG3 ARG A 47 -2.338 14.423 -1.940 1.00 0.73 H new ATOM 0 HD2 ARG A 47 -3.062 15.841 -3.718 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -1.479 15.249 -4.180 1.00 1.00 H new ATOM 0 HE ARG A 47 -3.346 13.442 -5.283 1.00 1.88 H new ATOM 0 HH11 ARG A 47 -2.511 16.868 -5.560 1.00 2.81 H new ATOM 0 HH12 ARG A 47 -3.047 16.974 -7.241 1.00 2.81 H new ATOM 0 HH21 ARG A 47 -4.024 13.601 -7.438 1.00 3.66 H new ATOM 0 HH22 ARG A 47 -3.894 15.142 -8.293 1.00 3.66 H new ATOM 770 N PRO A 48 -0.686 9.455 -1.577 1.00 0.11 N ATOM 771 CA PRO A 48 0.238 8.335 -1.800 1.00 0.11 C ATOM 772 C PRO A 48 0.107 7.794 -3.202 1.00 0.12 C ATOM 773 O PRO A 48 -0.909 7.994 -3.850 1.00 0.21 O ATOM 774 CB PRO A 48 -0.205 7.287 -0.772 1.00 0.14 C ATOM 775 CG PRO A 48 -0.825 8.120 0.298 1.00 0.15 C ATOM 776 CD PRO A 48 -1.601 9.172 -0.444 1.00 0.14 C ATOM 0 HA PRO A 48 1.283 8.626 -1.689 1.00 0.11 H new ATOM 0 HB2 PRO A 48 -0.916 6.578 -1.197 1.00 0.14 H new ATOM 0 HB3 PRO A 48 0.638 6.707 -0.396 1.00 0.14 H new ATOM 0 HG2 PRO A 48 -1.476 7.524 0.937 1.00 0.15 H new ATOM 0 HG3 PRO A 48 -0.067 8.566 0.942 1.00 0.15 H new ATOM 0 HD2 PRO A 48 -2.572 8.808 -0.780 1.00 0.14 H new ATOM 0 HD3 PRO A 48 -1.786 10.056 0.167 1.00 0.14 H new ATOM 784 N ASP A 49 1.138 7.144 -3.687 1.00 0.11 N ATOM 785 CA ASP A 49 1.045 6.508 -4.984 1.00 0.14 C ATOM 786 C ASP A 49 0.627 5.064 -4.812 1.00 0.13 C ATOM 787 O ASP A 49 -0.124 4.535 -5.615 1.00 0.19 O ATOM 788 CB ASP A 49 2.364 6.606 -5.732 1.00 0.25 C ATOM 789 CG ASP A 49 2.202 7.252 -7.091 1.00 0.65 C ATOM 790 OD1 ASP A 49 2.176 8.495 -7.161 1.00 0.98 O ATOM 791 OD2 ASP A 49 2.096 6.517 -8.096 1.00 0.94 O ATOM 0 H ASP A 49 2.037 7.041 -3.215 1.00 0.11 H new ATOM 0 HA ASP A 49 0.292 7.025 -5.578 1.00 0.14 H new ATOM 0 HB2 ASP A 49 3.074 7.183 -5.139 1.00 0.25 H new ATOM 0 HB3 ASP A 49 2.786 5.608 -5.853 1.00 0.25 H new ATOM 796 N LEU A 50 1.087 4.452 -3.735 1.00 0.12 N ATOM 797 CA LEU A 50 0.763 3.062 -3.441 1.00 0.12 C ATOM 798 C LEU A 50 -0.057 2.978 -2.159 1.00 0.11 C ATOM 799 O LEU A 50 0.436 3.301 -1.078 1.00 0.12 O ATOM 800 CB LEU A 50 2.040 2.226 -3.284 1.00 0.13 C ATOM 801 CG LEU A 50 2.779 1.866 -4.578 1.00 0.18 C ATOM 802 CD1 LEU A 50 3.590 3.045 -5.088 1.00 0.26 C ATOM 803 CD2 LEU A 50 3.672 0.649 -4.363 1.00 0.20 C ATOM 0 H LEU A 50 1.690 4.897 -3.044 1.00 0.12 H new ATOM 0 HA LEU A 50 0.183 2.665 -4.274 1.00 0.12 H new ATOM 0 HB2 LEU A 50 2.728 2.770 -2.637 1.00 0.13 H new ATOM 0 HB3 LEU A 50 1.782 1.301 -2.768 1.00 0.13 H new ATOM 0 HG LEU A 50 2.035 1.618 -5.335 1.00 0.18 H new ATOM 0 HD11 LEU A 50 4.104 2.763 -6.007 1.00 0.26 H new ATOM 0 HD12 LEU A 50 2.925 3.885 -5.288 1.00 0.26 H new ATOM 0 HD13 LEU A 50 4.324 3.334 -4.336 1.00 0.26 H new ATOM 0 HD21 LEU A 50 4.189 0.408 -5.292 1.00 0.20 H new ATOM 0 HD22 LEU A 50 4.405 0.868 -3.587 1.00 0.20 H new ATOM 0 HD23 LEU A 50 3.062 -0.201 -4.056 1.00 0.20 H new ATOM 815 N VAL A 51 -1.306 2.557 -2.275 1.00 0.10 N ATOM 816 CA VAL A 51 -2.175 2.444 -1.117 1.00 0.10 C ATOM 817 C VAL A 51 -2.498 0.991 -0.835 1.00 0.10 C ATOM 818 O VAL A 51 -3.042 0.314 -1.675 1.00 0.13 O ATOM 819 CB VAL A 51 -3.493 3.202 -1.331 1.00 0.13 C ATOM 820 CG1 VAL A 51 -4.403 3.030 -0.129 1.00 0.21 C ATOM 821 CG2 VAL A 51 -3.224 4.668 -1.612 1.00 0.16 C ATOM 0 H VAL A 51 -1.740 2.288 -3.158 1.00 0.10 H new ATOM 0 HA VAL A 51 -1.642 2.880 -0.272 1.00 0.10 H new ATOM 0 HB VAL A 51 -4.001 2.783 -2.200 1.00 0.13 H new ATOM 0 HG11 VAL A 51 -5.333 3.573 -0.296 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -4.621 1.972 0.013 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -3.909 3.421 0.760 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -4.170 5.189 -1.761 1.00 0.16 H new ATOM 0 HG22 VAL A 51 -2.695 5.109 -0.767 1.00 0.16 H new ATOM 0 HG23 VAL A 51 -2.613 4.760 -2.510 1.00 0.16 H new ATOM 831 N LEU A 52 -2.175 0.518 0.341 1.00 0.11 N ATOM 832 CA LEU A 52 -2.485 -0.847 0.707 1.00 0.11 C ATOM 833 C LEU A 52 -3.833 -0.894 1.397 1.00 0.11 C ATOM 834 O LEU A 52 -3.947 -0.605 2.577 1.00 0.13 O ATOM 835 CB LEU A 52 -1.402 -1.420 1.610 1.00 0.11 C ATOM 836 CG LEU A 52 0.020 -1.200 1.087 1.00 0.12 C ATOM 837 CD1 LEU A 52 0.658 -0.002 1.768 1.00 0.15 C ATOM 838 CD2 LEU A 52 0.865 -2.450 1.282 1.00 0.15 C ATOM 0 H LEU A 52 -1.697 1.055 1.064 1.00 0.11 H new ATOM 0 HA LEU A 52 -2.526 -1.455 -0.196 1.00 0.11 H new ATOM 0 HB2 LEU A 52 -1.489 -0.968 2.598 1.00 0.11 H new ATOM 0 HB3 LEU A 52 -1.573 -2.490 1.732 1.00 0.11 H new ATOM 0 HG LEU A 52 -0.034 -0.995 0.018 1.00 0.12 H new ATOM 0 HD11 LEU A 52 1.668 0.139 1.384 1.00 0.15 H new ATOM 0 HD12 LEU A 52 0.065 0.890 1.566 1.00 0.15 H new ATOM 0 HD13 LEU A 52 0.699 -0.174 2.844 1.00 0.15 H new ATOM 0 HD21 LEU A 52 1.871 -2.272 0.903 1.00 0.15 H new ATOM 0 HD22 LEU A 52 0.914 -2.694 2.343 1.00 0.15 H new ATOM 0 HD23 LEU A 52 0.415 -3.281 0.739 1.00 0.15 H new ATOM 850 N LEU A 53 -4.851 -1.225 0.638 1.00 0.16 N ATOM 851 CA LEU A 53 -6.212 -1.237 1.137 1.00 0.20 C ATOM 852 C LEU A 53 -6.582 -2.616 1.624 1.00 0.20 C ATOM 853 O LEU A 53 -6.786 -3.525 0.819 1.00 0.19 O ATOM 854 CB LEU A 53 -7.175 -0.815 0.030 1.00 0.30 C ATOM 855 CG LEU A 53 -7.222 0.680 -0.265 1.00 0.51 C ATOM 856 CD1 LEU A 53 -8.094 0.960 -1.472 1.00 1.53 C ATOM 857 CD2 LEU A 53 -7.745 1.428 0.938 1.00 0.90 C ATOM 0 H LEU A 53 -4.763 -1.494 -0.342 1.00 0.16 H new ATOM 0 HA LEU A 53 -6.282 -0.536 1.969 1.00 0.20 H new ATOM 0 HB2 LEU A 53 -6.901 -1.340 -0.885 1.00 0.30 H new ATOM 0 HB3 LEU A 53 -8.178 -1.146 0.299 1.00 0.30 H new ATOM 0 HG LEU A 53 -6.210 1.021 -0.485 1.00 0.51 H new ATOM 0 HD11 LEU A 53 -8.114 2.033 -1.665 1.00 1.53 H new ATOM 0 HD12 LEU A 53 -7.689 0.442 -2.341 1.00 1.53 H new ATOM 0 HD13 LEU A 53 -9.107 0.607 -1.279 1.00 1.53 H new ATOM 0 HD21 LEU A 53 -7.775 2.495 0.718 1.00 0.90 H new ATOM 0 HD22 LEU A 53 -8.750 1.078 1.176 1.00 0.90 H new ATOM 0 HD23 LEU A 53 -7.088 1.251 1.790 1.00 0.90 H new ATOM 869 N ASP A 54 -6.652 -2.789 2.930 1.00 0.28 N ATOM 870 CA ASP A 54 -7.043 -4.070 3.474 1.00 0.35 C ATOM 871 C ASP A 54 -8.491 -4.363 3.136 1.00 0.37 C ATOM 872 O ASP A 54 -9.409 -3.737 3.673 1.00 0.63 O ATOM 873 CB ASP A 54 -6.841 -4.127 4.978 1.00 0.59 C ATOM 874 CG ASP A 54 -7.092 -5.516 5.510 1.00 1.03 C ATOM 875 OD1 ASP A 54 -7.153 -6.450 4.687 1.00 1.33 O ATOM 876 OD2 ASP A 54 -7.250 -5.681 6.738 1.00 1.47 O ATOM 0 H ASP A 54 -6.446 -2.069 3.623 1.00 0.28 H new ATOM 0 HA ASP A 54 -6.404 -4.828 3.021 1.00 0.35 H new ATOM 0 HB2 ASP A 54 -5.824 -3.819 5.223 1.00 0.59 H new ATOM 0 HB3 ASP A 54 -7.514 -3.421 5.465 1.00 0.59 H new ATOM 881 N MET A 55 -8.690 -5.302 2.225 1.00 0.23 N ATOM 882 CA MET A 55 -10.031 -5.688 1.832 1.00 0.29 C ATOM 883 C MET A 55 -10.613 -6.702 2.814 1.00 0.35 C ATOM 884 O MET A 55 -11.735 -7.171 2.630 1.00 0.50 O ATOM 885 CB MET A 55 -10.062 -6.269 0.412 1.00 0.30 C ATOM 886 CG MET A 55 -9.606 -5.302 -0.670 1.00 0.32 C ATOM 887 SD MET A 55 -10.566 -5.453 -2.190 1.00 0.70 S ATOM 888 CE MET A 55 -10.295 -7.176 -2.601 1.00 0.94 C ATOM 0 H MET A 55 -7.943 -5.807 1.748 1.00 0.23 H new ATOM 0 HA MET A 55 -10.640 -4.784 1.845 1.00 0.29 H new ATOM 0 HB2 MET A 55 -9.429 -7.156 0.381 1.00 0.30 H new ATOM 0 HB3 MET A 55 -11.078 -6.595 0.187 1.00 0.30 H new ATOM 0 HG2 MET A 55 -9.685 -4.281 -0.296 1.00 0.32 H new ATOM 0 HG3 MET A 55 -8.554 -5.480 -0.891 1.00 0.32 H new ATOM 0 HE1 MET A 55 -10.659 -7.371 -3.610 1.00 0.94 H new ATOM 0 HE2 MET A 55 -9.229 -7.399 -2.550 1.00 0.94 H new ATOM 0 HE3 MET A 55 -10.832 -7.808 -1.893 1.00 0.94 H new ATOM 898 N LYS A 56 -9.843 -7.055 3.850 1.00 0.30 N ATOM 899 CA LYS A 56 -10.312 -7.992 4.862 1.00 0.35 C ATOM 900 C LYS A 56 -11.593 -7.523 5.538 1.00 0.34 C ATOM 901 O LYS A 56 -12.609 -8.219 5.490 1.00 0.44 O ATOM 902 CB LYS A 56 -9.240 -8.244 5.924 1.00 0.34 C ATOM 903 CG LYS A 56 -8.051 -9.024 5.397 1.00 0.46 C ATOM 904 CD LYS A 56 -8.486 -10.308 4.696 1.00 0.59 C ATOM 905 CE LYS A 56 -9.406 -11.146 5.575 1.00 1.26 C ATOM 906 NZ LYS A 56 -9.976 -12.311 4.848 1.00 2.24 N ATOM 0 H LYS A 56 -8.898 -6.705 4.004 1.00 0.30 H new ATOM 0 HA LYS A 56 -10.527 -8.923 4.337 1.00 0.35 H new ATOM 0 HB2 LYS A 56 -8.894 -7.288 6.316 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -9.684 -8.789 6.757 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -7.487 -8.402 4.701 1.00 0.46 H new ATOM 0 HG3 LYS A 56 -7.381 -9.268 6.222 1.00 0.46 H new ATOM 0 HD2 LYS A 56 -8.998 -10.060 3.766 1.00 0.59 H new ATOM 0 HD3 LYS A 56 -7.606 -10.893 4.429 1.00 0.59 H new ATOM 0 HE2 LYS A 56 -8.851 -11.499 6.444 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -10.217 -10.521 5.947 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -10.957 -12.467 5.157 1.00 2.24 H new ATOM 0 HZ2 LYS A 56 -9.961 -12.123 3.825 1.00 2.24 H new ATOM 0 HZ3 LYS A 56 -9.410 -13.159 5.053 1.00 2.24 H new ATOM 920 N ILE A 57 -11.554 -6.345 6.154 1.00 0.29 N ATOM 921 CA ILE A 57 -12.674 -5.889 6.968 1.00 0.36 C ATOM 922 C ILE A 57 -12.513 -4.457 7.524 1.00 0.30 C ATOM 923 O ILE A 57 -13.524 -3.771 7.630 1.00 0.40 O ATOM 924 CB ILE A 57 -12.978 -6.875 8.133 1.00 0.51 C ATOM 925 CG1 ILE A 57 -14.222 -6.426 8.908 1.00 1.45 C ATOM 926 CG2 ILE A 57 -11.782 -7.020 9.072 1.00 0.90 C ATOM 927 CD1 ILE A 57 -14.637 -7.386 9.997 1.00 2.06 C ATOM 0 H ILE A 57 -10.768 -5.696 6.106 1.00 0.29 H new ATOM 0 HA ILE A 57 -13.520 -5.865 6.281 1.00 0.36 H new ATOM 0 HB ILE A 57 -13.174 -7.854 7.695 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -14.030 -5.449 9.351 1.00 1.45 H new ATOM 0 HG13 ILE A 57 -15.050 -6.303 8.210 1.00 1.45 H new ATOM 0 HG21 ILE A 57 -12.031 -7.716 9.873 1.00 0.90 H new ATOM 0 HG22 ILE A 57 -10.926 -7.399 8.515 1.00 0.90 H new ATOM 0 HG23 ILE A 57 -11.535 -6.048 9.499 1.00 0.90 H new ATOM 0 HD11 ILE A 57 -15.524 -7.002 10.502 1.00 2.06 H new ATOM 0 HD12 ILE A 57 -14.861 -8.358 9.559 1.00 2.06 H new ATOM 0 HD13 ILE A 57 -13.826 -7.491 10.718 1.00 2.06 H new ATOM 939 N PRO A 58 -11.272 -3.969 7.883 1.00 0.29 N ATOM 940 CA PRO A 58 -11.047 -2.655 8.503 1.00 0.31 C ATOM 941 C PRO A 58 -12.155 -1.621 8.327 1.00 0.27 C ATOM 942 O PRO A 58 -12.780 -1.203 9.305 1.00 0.33 O ATOM 943 CB PRO A 58 -9.781 -2.223 7.788 1.00 0.40 C ATOM 944 CG PRO A 58 -8.966 -3.471 7.748 1.00 0.45 C ATOM 945 CD PRO A 58 -9.951 -4.632 7.731 1.00 0.45 C ATOM 0 HA PRO A 58 -10.999 -2.729 9.589 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -9.993 -1.849 6.786 1.00 0.40 H new ATOM 0 HB3 PRO A 58 -9.268 -1.425 8.325 1.00 0.40 H new ATOM 0 HG2 PRO A 58 -8.329 -3.490 6.864 1.00 0.45 H new ATOM 0 HG3 PRO A 58 -8.309 -3.533 8.615 1.00 0.45 H new ATOM 0 HD2 PRO A 58 -9.890 -5.196 6.801 1.00 0.45 H new ATOM 0 HD3 PRO A 58 -9.758 -5.334 8.543 1.00 0.45 H new ATOM 953 N GLY A 59 -12.411 -1.218 7.097 1.00 0.32 N ATOM 954 CA GLY A 59 -13.412 -0.203 6.872 1.00 0.44 C ATOM 955 C GLY A 59 -14.297 -0.494 5.687 1.00 0.40 C ATOM 956 O GLY A 59 -15.516 -0.590 5.817 1.00 0.47 O ATOM 0 H GLY A 59 -11.950 -1.570 6.258 1.00 0.32 H new ATOM 0 HA2 GLY A 59 -14.031 -0.108 7.764 1.00 0.44 H new ATOM 0 HA3 GLY A 59 -12.919 0.757 6.722 1.00 0.44 H new ATOM 960 N MET A 60 -13.685 -0.637 4.531 1.00 0.32 N ATOM 961 CA MET A 60 -14.424 -0.778 3.292 1.00 0.30 C ATOM 962 C MET A 60 -13.630 -1.646 2.325 1.00 0.21 C ATOM 963 O MET A 60 -12.445 -1.892 2.547 1.00 0.18 O ATOM 964 CB MET A 60 -14.672 0.615 2.695 1.00 0.37 C ATOM 965 CG MET A 60 -15.612 0.642 1.502 1.00 0.43 C ATOM 966 SD MET A 60 -15.740 2.288 0.771 1.00 1.82 S ATOM 967 CE MET A 60 -16.363 3.233 2.161 1.00 2.23 C ATOM 0 H MET A 60 -12.671 -0.659 4.422 1.00 0.32 H new ATOM 0 HA MET A 60 -15.385 -1.258 3.479 1.00 0.30 H new ATOM 0 HB2 MET A 60 -15.078 1.261 3.474 1.00 0.37 H new ATOM 0 HB3 MET A 60 -13.715 1.041 2.394 1.00 0.37 H new ATOM 0 HG2 MET A 60 -15.260 -0.062 0.748 1.00 0.43 H new ATOM 0 HG3 MET A 60 -16.601 0.307 1.814 1.00 0.43 H new ATOM 0 HE1 MET A 60 -16.792 4.169 1.802 1.00 2.23 H new ATOM 0 HE2 MET A 60 -17.131 2.657 2.678 1.00 2.23 H new ATOM 0 HE3 MET A 60 -15.546 3.449 2.850 1.00 2.23 H new ATOM 977 N ASP A 61 -14.280 -2.110 1.268 1.00 0.21 N ATOM 978 CA ASP A 61 -13.610 -2.852 0.218 1.00 0.18 C ATOM 979 C ASP A 61 -12.542 -1.993 -0.411 1.00 0.14 C ATOM 980 O ASP A 61 -12.789 -0.833 -0.752 1.00 0.17 O ATOM 981 CB ASP A 61 -14.593 -3.269 -0.878 1.00 0.26 C ATOM 982 CG ASP A 61 -15.673 -4.204 -0.379 1.00 0.48 C ATOM 983 OD1 ASP A 61 -15.362 -5.368 -0.075 1.00 0.67 O ATOM 984 OD2 ASP A 61 -16.842 -3.766 -0.279 1.00 0.64 O ATOM 0 H ASP A 61 -15.281 -1.982 1.117 1.00 0.21 H new ATOM 0 HA ASP A 61 -13.173 -3.743 0.669 1.00 0.18 H new ATOM 0 HB2 ASP A 61 -15.058 -2.378 -1.300 1.00 0.26 H new ATOM 0 HB3 ASP A 61 -14.044 -3.754 -1.685 1.00 0.26 H new ATOM 989 N GLY A 62 -11.369 -2.569 -0.594 1.00 0.16 N ATOM 990 CA GLY A 62 -10.271 -1.843 -1.189 1.00 0.20 C ATOM 991 C GLY A 62 -10.520 -1.514 -2.645 1.00 0.20 C ATOM 992 O GLY A 62 -9.669 -0.941 -3.303 1.00 0.32 O ATOM 0 H GLY A 62 -11.156 -3.533 -0.339 1.00 0.16 H new ATOM 0 HA2 GLY A 62 -10.106 -0.920 -0.634 1.00 0.20 H new ATOM 0 HA3 GLY A 62 -9.359 -2.434 -1.103 1.00 0.20 H new ATOM 996 N ILE A 63 -11.686 -1.893 -3.149 1.00 0.16 N ATOM 997 CA ILE A 63 -12.085 -1.533 -4.497 1.00 0.17 C ATOM 998 C ILE A 63 -12.884 -0.240 -4.478 1.00 0.18 C ATOM 999 O ILE A 63 -12.646 0.659 -5.280 1.00 0.22 O ATOM 1000 CB ILE A 63 -12.942 -2.632 -5.138 1.00 0.21 C ATOM 1001 CG1 ILE A 63 -12.362 -4.012 -4.833 1.00 0.26 C ATOM 1002 CG2 ILE A 63 -13.026 -2.417 -6.641 1.00 0.30 C ATOM 1003 CD1 ILE A 63 -13.272 -5.142 -5.252 1.00 1.31 C ATOM 0 H ILE A 63 -12.372 -2.451 -2.641 1.00 0.16 H new ATOM 0 HA ILE A 63 -11.176 -1.405 -5.085 1.00 0.17 H new ATOM 0 HB ILE A 63 -13.946 -2.580 -4.716 1.00 0.21 H new ATOM 0 HG12 ILE A 63 -11.404 -4.117 -5.342 1.00 0.26 H new ATOM 0 HG13 ILE A 63 -12.166 -4.089 -3.764 1.00 0.26 H new ATOM 0 HG21 ILE A 63 -13.636 -3.202 -7.087 1.00 0.30 H new ATOM 0 HG22 ILE A 63 -13.478 -1.446 -6.845 1.00 0.30 H new ATOM 0 HG23 ILE A 63 -12.024 -2.448 -7.070 1.00 0.30 H new ATOM 0 HD11 ILE A 63 -12.804 -6.096 -5.009 1.00 1.31 H new ATOM 0 HD12 ILE A 63 -14.222 -5.059 -4.724 1.00 1.31 H new ATOM 0 HD13 ILE A 63 -13.448 -5.088 -6.326 1.00 1.31 H new ATOM 1015 N GLU A 64 -13.827 -0.148 -3.552 1.00 0.15 N ATOM 1016 CA GLU A 64 -14.613 1.063 -3.387 1.00 0.17 C ATOM 1017 C GLU A 64 -13.718 2.193 -2.895 1.00 0.16 C ATOM 1018 O GLU A 64 -13.871 3.351 -3.291 1.00 0.18 O ATOM 1019 CB GLU A 64 -15.763 0.822 -2.412 1.00 0.21 C ATOM 1020 CG GLU A 64 -16.723 -0.262 -2.870 1.00 0.24 C ATOM 1021 CD GLU A 64 -17.376 0.061 -4.199 1.00 0.32 C ATOM 1022 OE1 GLU A 64 -18.360 0.832 -4.216 1.00 0.47 O ATOM 1023 OE2 GLU A 64 -16.906 -0.452 -5.234 1.00 0.43 O ATOM 0 H GLU A 64 -14.066 -0.898 -2.904 1.00 0.15 H new ATOM 0 HA GLU A 64 -15.039 1.346 -4.350 1.00 0.17 H new ATOM 0 HB2 GLU A 64 -15.354 0.548 -1.440 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -16.315 1.752 -2.275 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -16.185 -1.207 -2.954 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -17.496 -0.401 -2.114 1.00 0.24 H new ATOM 1030 N ILE A 65 -12.759 1.846 -2.048 1.00 0.15 N ATOM 1031 CA ILE A 65 -11.785 2.821 -1.593 1.00 0.16 C ATOM 1032 C ILE A 65 -10.808 3.125 -2.718 1.00 0.15 C ATOM 1033 O ILE A 65 -10.336 4.252 -2.864 1.00 0.16 O ATOM 1034 CB ILE A 65 -11.005 2.341 -0.362 1.00 0.19 C ATOM 1035 CG1 ILE A 65 -11.946 1.710 0.654 1.00 0.24 C ATOM 1036 CG2 ILE A 65 -10.270 3.517 0.270 1.00 0.25 C ATOM 1037 CD1 ILE A 65 -11.219 1.001 1.771 1.00 0.69 C ATOM 0 H ILE A 65 -12.637 0.908 -1.667 1.00 0.15 H new ATOM 0 HA ILE A 65 -12.333 3.718 -1.306 1.00 0.16 H new ATOM 0 HB ILE A 65 -10.281 1.589 -0.676 1.00 0.19 H new ATOM 0 HG12 ILE A 65 -12.586 2.484 1.078 1.00 0.24 H new ATOM 0 HG13 ILE A 65 -12.599 1.001 0.145 1.00 0.24 H new ATOM 0 HG21 ILE A 65 -9.717 3.173 1.144 1.00 0.25 H new ATOM 0 HG22 ILE A 65 -9.576 3.944 -0.454 1.00 0.25 H new ATOM 0 HG23 ILE A 65 -10.991 4.276 0.573 1.00 0.25 H new ATOM 0 HD11 ILE A 65 -11.944 0.572 2.463 1.00 0.69 H new ATOM 0 HD12 ILE A 65 -10.600 0.206 1.355 1.00 0.69 H new ATOM 0 HD13 ILE A 65 -10.587 1.712 2.303 1.00 0.69 H new ATOM 1049 N LEU A 66 -10.522 2.106 -3.516 1.00 0.15 N ATOM 1050 CA LEU A 66 -9.692 2.262 -4.700 1.00 0.22 C ATOM 1051 C LEU A 66 -10.258 3.345 -5.588 1.00 0.16 C ATOM 1052 O LEU A 66 -9.573 4.291 -5.935 1.00 0.15 O ATOM 1053 CB LEU A 66 -9.601 0.929 -5.458 1.00 0.43 C ATOM 1054 CG LEU A 66 -8.926 0.934 -6.831 1.00 0.59 C ATOM 1055 CD1 LEU A 66 -8.411 -0.457 -7.140 1.00 0.86 C ATOM 1056 CD2 LEU A 66 -9.892 1.372 -7.923 1.00 1.47 C ATOM 0 H LEU A 66 -10.856 1.155 -3.362 1.00 0.15 H new ATOM 0 HA LEU A 66 -8.687 2.555 -4.397 1.00 0.22 H new ATOM 0 HB2 LEU A 66 -9.068 0.220 -4.825 1.00 0.43 H new ATOM 0 HB3 LEU A 66 -10.613 0.545 -5.584 1.00 0.43 H new ATOM 0 HG LEU A 66 -8.100 1.645 -6.804 1.00 0.59 H new ATOM 0 HD11 LEU A 66 -7.929 -0.458 -8.118 1.00 0.86 H new ATOM 0 HD12 LEU A 66 -7.689 -0.755 -6.380 1.00 0.86 H new ATOM 0 HD13 LEU A 66 -9.244 -1.160 -7.145 1.00 0.86 H new ATOM 0 HD21 LEU A 66 -9.381 1.365 -8.886 1.00 1.47 H new ATOM 0 HD22 LEU A 66 -10.739 0.686 -7.956 1.00 1.47 H new ATOM 0 HD23 LEU A 66 -10.249 2.379 -7.710 1.00 1.47 H new ATOM 1068 N LYS A 67 -11.517 3.217 -5.935 1.00 0.17 N ATOM 1069 CA LYS A 67 -12.118 4.122 -6.886 1.00 0.17 C ATOM 1070 C LYS A 67 -12.325 5.510 -6.303 1.00 0.14 C ATOM 1071 O LYS A 67 -12.230 6.497 -7.026 1.00 0.15 O ATOM 1072 CB LYS A 67 -13.425 3.544 -7.400 1.00 0.22 C ATOM 1073 CG LYS A 67 -14.294 2.996 -6.288 1.00 0.19 C ATOM 1074 CD LYS A 67 -15.522 2.296 -6.828 1.00 0.27 C ATOM 1075 CE LYS A 67 -15.138 1.043 -7.596 1.00 0.42 C ATOM 1076 NZ LYS A 67 -16.338 0.286 -8.040 1.00 0.65 N ATOM 0 H LYS A 67 -12.143 2.497 -5.574 1.00 0.17 H new ATOM 0 HA LYS A 67 -11.428 4.234 -7.722 1.00 0.17 H new ATOM 0 HB2 LYS A 67 -13.974 4.317 -7.938 1.00 0.22 H new ATOM 0 HB3 LYS A 67 -13.211 2.749 -8.115 1.00 0.22 H new ATOM 0 HG2 LYS A 67 -13.714 2.298 -5.684 1.00 0.19 H new ATOM 0 HG3 LYS A 67 -14.599 3.810 -5.630 1.00 0.19 H new ATOM 0 HD2 LYS A 67 -16.187 2.034 -6.005 1.00 0.27 H new ATOM 0 HD3 LYS A 67 -16.074 2.973 -7.481 1.00 0.27 H new ATOM 0 HE2 LYS A 67 -14.538 1.317 -8.464 1.00 0.42 H new ATOM 0 HE3 LYS A 67 -14.517 0.406 -6.967 1.00 0.42 H new ATOM 0 HZ1 LYS A 67 -16.050 -0.464 -8.700 1.00 0.65 H new ATOM 0 HZ2 LYS A 67 -16.805 -0.140 -7.214 1.00 0.65 H new ATOM 0 HZ3 LYS A 67 -16.999 0.932 -8.517 1.00 0.65 H new ATOM 1090 N ARG A 68 -12.611 5.605 -5.011 1.00 0.13 N ATOM 1091 CA ARG A 68 -12.688 6.924 -4.387 1.00 0.14 C ATOM 1092 C ARG A 68 -11.313 7.601 -4.365 1.00 0.12 C ATOM 1093 O ARG A 68 -11.208 8.815 -4.546 1.00 0.15 O ATOM 1094 CB ARG A 68 -13.323 6.869 -2.985 1.00 0.16 C ATOM 1095 CG ARG A 68 -12.569 6.040 -1.965 1.00 0.25 C ATOM 1096 CD ARG A 68 -13.447 5.708 -0.763 1.00 0.37 C ATOM 1097 NE ARG A 68 -14.024 6.899 -0.135 1.00 1.18 N ATOM 1098 CZ ARG A 68 -15.336 7.093 0.022 1.00 1.28 C ATOM 1099 NH1 ARG A 68 -16.204 6.223 -0.483 1.00 0.98 N ATOM 1100 NH2 ARG A 68 -15.776 8.171 0.660 1.00 2.18 N ATOM 0 H ARG A 68 -12.789 4.815 -4.390 1.00 0.13 H new ATOM 0 HA ARG A 68 -13.350 7.536 -5.000 1.00 0.14 H new ATOM 0 HB2 ARG A 68 -13.415 7.887 -2.606 1.00 0.16 H new ATOM 0 HB3 ARG A 68 -14.333 6.471 -3.077 1.00 0.16 H new ATOM 0 HG2 ARG A 68 -12.220 5.118 -2.429 1.00 0.25 H new ATOM 0 HG3 ARG A 68 -11.685 6.584 -1.633 1.00 0.25 H new ATOM 0 HD2 ARG A 68 -14.251 5.044 -1.079 1.00 0.37 H new ATOM 0 HD3 ARG A 68 -12.856 5.165 -0.026 1.00 0.37 H new ATOM 0 HE ARG A 68 -13.387 7.621 0.202 1.00 1.18 H new ATOM 0 HH11 ARG A 68 -15.869 5.405 -0.992 1.00 0.98 H new ATOM 0 HH12 ARG A 68 -17.206 6.373 -0.362 1.00 0.98 H new ATOM 0 HH21 ARG A 68 -15.112 8.851 1.030 1.00 2.18 H new ATOM 0 HH22 ARG A 68 -16.778 8.319 0.780 1.00 2.18 H new ATOM 1114 N MET A 69 -10.248 6.828 -4.198 1.00 0.11 N ATOM 1115 CA MET A 69 -8.916 7.409 -4.256 1.00 0.12 C ATOM 1116 C MET A 69 -8.476 7.535 -5.699 1.00 0.10 C ATOM 1117 O MET A 69 -7.547 8.255 -6.002 1.00 0.12 O ATOM 1118 CB MET A 69 -7.892 6.599 -3.466 1.00 0.15 C ATOM 1119 CG MET A 69 -7.564 5.274 -4.107 1.00 0.25 C ATOM 1120 SD MET A 69 -6.516 4.232 -3.078 1.00 0.33 S ATOM 1121 CE MET A 69 -7.335 4.404 -1.495 1.00 1.28 C ATOM 0 H MET A 69 -10.278 5.823 -4.026 1.00 0.11 H new ATOM 0 HA MET A 69 -8.969 8.395 -3.795 1.00 0.12 H new ATOM 0 HB2 MET A 69 -6.977 7.183 -3.363 1.00 0.15 H new ATOM 0 HB3 MET A 69 -8.273 6.425 -2.460 1.00 0.15 H new ATOM 0 HG2 MET A 69 -8.491 4.744 -4.326 1.00 0.25 H new ATOM 0 HG3 MET A 69 -7.066 5.452 -5.060 1.00 0.25 H new ATOM 0 HE1 MET A 69 -7.195 3.494 -0.912 1.00 1.28 H new ATOM 0 HE2 MET A 69 -6.909 5.250 -0.955 1.00 1.28 H new ATOM 0 HE3 MET A 69 -8.400 4.573 -1.653 1.00 1.28 H new ATOM 1131 N LYS A 70 -9.157 6.822 -6.582 1.00 0.08 N ATOM 1132 CA LYS A 70 -8.926 6.939 -8.012 1.00 0.10 C ATOM 1133 C LYS A 70 -9.618 8.188 -8.548 1.00 0.13 C ATOM 1134 O LYS A 70 -9.177 8.806 -9.505 1.00 0.23 O ATOM 1135 CB LYS A 70 -9.468 5.713 -8.741 1.00 0.14 C ATOM 1136 CG LYS A 70 -8.383 4.787 -9.238 1.00 0.17 C ATOM 1137 CD LYS A 70 -7.638 4.169 -8.080 1.00 0.41 C ATOM 1138 CE LYS A 70 -6.825 2.971 -8.516 1.00 0.33 C ATOM 1139 NZ LYS A 70 -5.776 2.636 -7.528 1.00 1.30 N ATOM 0 H LYS A 70 -9.881 6.150 -6.329 1.00 0.08 H new ATOM 0 HA LYS A 70 -7.852 7.011 -8.184 1.00 0.10 H new ATOM 0 HB2 LYS A 70 -10.128 5.162 -8.071 1.00 0.14 H new ATOM 0 HB3 LYS A 70 -10.073 6.039 -9.587 1.00 0.14 H new ATOM 0 HG2 LYS A 70 -8.822 4.003 -9.855 1.00 0.17 H new ATOM 0 HG3 LYS A 70 -7.688 5.339 -9.871 1.00 0.17 H new ATOM 0 HD2 LYS A 70 -6.979 4.913 -7.632 1.00 0.41 H new ATOM 0 HD3 LYS A 70 -8.348 3.867 -7.310 1.00 0.41 H new ATOM 0 HE2 LYS A 70 -7.484 2.114 -8.653 1.00 0.33 H new ATOM 0 HE3 LYS A 70 -6.364 3.176 -9.482 1.00 0.33 H new ATOM 0 HZ1 LYS A 70 -5.375 1.703 -7.751 1.00 1.30 H new ATOM 0 HZ2 LYS A 70 -5.024 3.354 -7.563 1.00 1.30 H new ATOM 0 HZ3 LYS A 70 -6.191 2.616 -6.575 1.00 1.30 H new ATOM 1153 N VAL A 71 -10.714 8.555 -7.914 1.00 0.13 N ATOM 1154 CA VAL A 71 -11.492 9.702 -8.355 1.00 0.18 C ATOM 1155 C VAL A 71 -10.816 10.974 -7.887 1.00 0.15 C ATOM 1156 O VAL A 71 -10.886 12.017 -8.538 1.00 0.16 O ATOM 1157 CB VAL A 71 -12.941 9.628 -7.830 1.00 0.26 C ATOM 1158 CG1 VAL A 71 -13.054 10.107 -6.398 1.00 0.87 C ATOM 1159 CG2 VAL A 71 -13.895 10.384 -8.744 1.00 1.03 C ATOM 0 H VAL A 71 -11.088 8.079 -7.093 1.00 0.13 H new ATOM 0 HA VAL A 71 -11.540 9.698 -9.444 1.00 0.18 H new ATOM 0 HB VAL A 71 -13.231 8.577 -7.836 1.00 0.26 H new ATOM 0 HG11 VAL A 71 -14.092 10.037 -6.072 1.00 0.87 H new ATOM 0 HG12 VAL A 71 -12.429 9.486 -5.756 1.00 0.87 H new ATOM 0 HG13 VAL A 71 -12.723 11.144 -6.334 1.00 0.87 H new ATOM 0 HG21 VAL A 71 -14.909 10.315 -8.349 1.00 1.03 H new ATOM 0 HG22 VAL A 71 -13.596 11.431 -8.795 1.00 1.03 H new ATOM 0 HG23 VAL A 71 -13.864 9.948 -9.743 1.00 1.03 H new ATOM 1169 N ILE A 72 -10.165 10.874 -6.742 1.00 0.13 N ATOM 1170 CA ILE A 72 -9.309 11.956 -6.270 1.00 0.14 C ATOM 1171 C ILE A 72 -7.895 11.822 -6.850 1.00 0.15 C ATOM 1172 O ILE A 72 -7.164 12.808 -6.936 1.00 0.26 O ATOM 1173 CB ILE A 72 -9.250 12.032 -4.721 1.00 0.16 C ATOM 1174 CG1 ILE A 72 -8.686 10.742 -4.129 1.00 0.13 C ATOM 1175 CG2 ILE A 72 -10.636 12.314 -4.151 1.00 0.22 C ATOM 1176 CD1 ILE A 72 -8.663 10.730 -2.617 1.00 0.14 C ATOM 0 H ILE A 72 -10.209 10.064 -6.124 1.00 0.13 H new ATOM 0 HA ILE A 72 -9.753 12.887 -6.623 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.583 12.850 -4.448 1.00 0.16 H new ATOM 0 HG12 ILE A 72 -9.281 9.900 -4.482 1.00 0.13 H new ATOM 0 HG13 ILE A 72 -7.672 10.594 -4.501 1.00 0.13 H new ATOM 0 HG21 ILE A 72 -10.579 12.364 -3.064 1.00 0.22 H new ATOM 0 HG22 ILE A 72 -11.003 13.264 -4.540 1.00 0.22 H new ATOM 0 HG23 ILE A 72 -11.318 11.515 -4.442 1.00 0.22 H new ATOM 0 HD11 ILE A 72 -8.250 9.784 -2.267 1.00 0.14 H new ATOM 0 HD12 ILE A 72 -8.044 11.552 -2.256 1.00 0.14 H new ATOM 0 HD13 ILE A 72 -9.678 10.846 -2.237 1.00 0.14 H new ATOM 1188 N ASP A 73 -7.531 10.601 -7.270 1.00 0.11 N ATOM 1189 CA ASP A 73 -6.209 10.328 -7.853 1.00 0.12 C ATOM 1190 C ASP A 73 -6.170 9.015 -8.623 1.00 0.13 C ATOM 1191 O ASP A 73 -5.801 7.997 -8.076 1.00 0.17 O ATOM 1192 CB ASP A 73 -5.125 10.234 -6.773 1.00 0.20 C ATOM 1193 CG ASP A 73 -4.300 11.496 -6.649 1.00 0.61 C ATOM 1194 OD1 ASP A 73 -3.709 11.934 -7.653 1.00 0.76 O ATOM 1195 OD2 ASP A 73 -4.267 12.080 -5.541 1.00 1.08 O ATOM 0 H ASP A 73 -8.138 9.783 -7.216 1.00 0.11 H new ATOM 0 HA ASP A 73 -6.021 11.164 -8.527 1.00 0.12 H new ATOM 0 HB2 ASP A 73 -5.594 10.018 -5.813 1.00 0.20 H new ATOM 0 HB3 ASP A 73 -4.465 9.397 -7.001 1.00 0.20 H new ATOM 1200 N GLU A 74 -6.491 9.013 -9.898 1.00 0.13 N ATOM 1201 CA GLU A 74 -6.316 7.788 -10.680 1.00 0.16 C ATOM 1202 C GLU A 74 -4.842 7.598 -11.013 1.00 0.18 C ATOM 1203 O GLU A 74 -4.455 6.687 -11.744 1.00 0.24 O ATOM 1204 CB GLU A 74 -7.164 7.760 -11.948 1.00 0.18 C ATOM 1205 CG GLU A 74 -8.484 7.038 -11.754 1.00 0.52 C ATOM 1206 CD GLU A 74 -9.325 6.986 -13.008 1.00 1.26 C ATOM 1207 OE1 GLU A 74 -9.561 8.052 -13.616 1.00 1.78 O ATOM 1208 OE2 GLU A 74 -9.759 5.881 -13.399 1.00 1.67 O ATOM 0 H GLU A 74 -6.863 9.812 -10.411 1.00 0.13 H new ATOM 0 HA GLU A 74 -6.665 6.959 -10.064 1.00 0.16 H new ATOM 0 HB2 GLU A 74 -7.358 8.782 -12.273 1.00 0.18 H new ATOM 0 HB3 GLU A 74 -6.602 7.273 -12.745 1.00 0.18 H new ATOM 0 HG2 GLU A 74 -8.288 6.021 -11.414 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -9.050 7.534 -10.966 1.00 0.52 H new ATOM 1215 N ASN A 75 -4.033 8.476 -10.442 1.00 0.17 N ATOM 1216 CA ASN A 75 -2.584 8.358 -10.482 1.00 0.21 C ATOM 1217 C ASN A 75 -2.183 7.247 -9.542 1.00 0.20 C ATOM 1218 O ASN A 75 -1.199 6.533 -9.745 1.00 0.27 O ATOM 1219 CB ASN A 75 -1.949 9.677 -10.029 1.00 0.24 C ATOM 1220 CG ASN A 75 -0.614 9.488 -9.325 1.00 0.26 C ATOM 1221 OD1 ASN A 75 0.439 9.493 -9.961 1.00 0.35 O ATOM 1222 ND2 ASN A 75 -0.656 9.343 -8.001 1.00 0.22 N ATOM 0 H ASN A 75 -4.365 9.296 -9.934 1.00 0.17 H new ATOM 0 HA ASN A 75 -2.245 8.138 -11.494 1.00 0.21 H new ATOM 0 HB2 ASN A 75 -1.807 10.321 -10.897 1.00 0.24 H new ATOM 0 HB3 ASN A 75 -2.636 10.192 -9.358 1.00 0.24 H new ATOM 0 HD21 ASN A 75 0.209 9.230 -7.473 1.00 0.22 H new ATOM 0 HD22 ASN A 75 -1.553 9.345 -7.516 1.00 0.22 H new ATOM 1229 N ILE A 76 -3.015 7.108 -8.535 1.00 0.16 N ATOM 1230 CA ILE A 76 -2.763 6.263 -7.402 1.00 0.16 C ATOM 1231 C ILE A 76 -2.987 4.808 -7.742 1.00 0.17 C ATOM 1232 O ILE A 76 -3.702 4.465 -8.691 1.00 0.21 O ATOM 1233 CB ILE A 76 -3.709 6.678 -6.274 1.00 0.16 C ATOM 1234 CG1 ILE A 76 -3.093 6.491 -4.909 1.00 0.16 C ATOM 1235 CG2 ILE A 76 -5.021 5.911 -6.337 1.00 0.18 C ATOM 1236 CD1 ILE A 76 -3.905 7.184 -3.840 1.00 0.19 C ATOM 0 H ILE A 76 -3.909 7.596 -8.485 1.00 0.16 H new ATOM 0 HA ILE A 76 -1.723 6.377 -7.097 1.00 0.16 H new ATOM 0 HB ILE A 76 -3.903 7.740 -6.422 1.00 0.16 H new ATOM 0 HG12 ILE A 76 -3.022 5.427 -4.682 1.00 0.16 H new ATOM 0 HG13 ILE A 76 -2.077 6.885 -4.909 1.00 0.16 H new ATOM 0 HG21 ILE A 76 -5.669 6.231 -5.521 1.00 0.18 H new ATOM 0 HG22 ILE A 76 -5.513 6.109 -7.290 1.00 0.18 H new ATOM 0 HG23 ILE A 76 -4.823 4.843 -6.246 1.00 0.18 H new ATOM 0 HD11 ILE A 76 -3.435 7.030 -2.869 1.00 0.19 H new ATOM 0 HD12 ILE A 76 -3.953 8.252 -4.055 1.00 0.19 H new ATOM 0 HD13 ILE A 76 -4.914 6.771 -3.824 1.00 0.19 H new ATOM 1248 N ARG A 77 -2.402 3.955 -6.952 1.00 0.15 N ATOM 1249 CA ARG A 77 -2.610 2.548 -7.104 1.00 0.15 C ATOM 1250 C ARG A 77 -2.854 1.928 -5.749 1.00 0.14 C ATOM 1251 O ARG A 77 -2.793 2.611 -4.732 1.00 0.16 O ATOM 1252 CB ARG A 77 -1.410 1.908 -7.765 1.00 0.16 C ATOM 1253 CG ARG A 77 -0.134 2.056 -6.978 1.00 0.17 C ATOM 1254 CD ARG A 77 1.024 2.117 -7.930 1.00 0.28 C ATOM 1255 NE ARG A 77 1.241 3.466 -8.447 1.00 0.55 N ATOM 1256 CZ ARG A 77 1.254 3.781 -9.741 1.00 0.65 C ATOM 1257 NH1 ARG A 77 1.071 2.846 -10.667 1.00 0.96 N ATOM 1258 NH2 ARG A 77 1.468 5.031 -10.106 1.00 1.08 N ATOM 0 H ARG A 77 -1.773 4.214 -6.192 1.00 0.15 H new ATOM 0 HA ARG A 77 -3.480 2.380 -7.738 1.00 0.15 H new ATOM 0 HB2 ARG A 77 -1.612 0.848 -7.916 1.00 0.16 H new ATOM 0 HB3 ARG A 77 -1.271 2.350 -8.752 1.00 0.16 H new ATOM 0 HG2 ARG A 77 -0.169 2.960 -6.370 1.00 0.17 H new ATOM 0 HG3 ARG A 77 -0.015 1.216 -6.293 1.00 0.17 H new ATOM 0 HD2 ARG A 77 1.927 1.774 -7.424 1.00 0.28 H new ATOM 0 HD3 ARG A 77 0.845 1.435 -8.761 1.00 0.28 H new ATOM 0 HE ARG A 77 1.393 4.216 -7.773 1.00 0.55 H new ATOM 0 HH11 ARG A 77 0.919 1.876 -10.390 1.00 0.96 H new ATOM 0 HH12 ARG A 77 1.083 3.098 -11.655 1.00 0.96 H new ATOM 0 HH21 ARG A 77 1.622 5.750 -9.399 1.00 1.08 H new ATOM 0 HH22 ARG A 77 1.479 5.279 -11.095 1.00 1.08 H new ATOM 1272 N VAL A 78 -3.120 0.639 -5.728 1.00 0.14 N ATOM 1273 CA VAL A 78 -3.458 -0.016 -4.485 1.00 0.15 C ATOM 1274 C VAL A 78 -2.668 -1.292 -4.328 1.00 0.16 C ATOM 1275 O VAL A 78 -2.131 -1.831 -5.282 1.00 0.31 O ATOM 1276 CB VAL A 78 -4.959 -0.376 -4.425 1.00 0.30 C ATOM 1277 CG1 VAL A 78 -5.479 -0.328 -3.011 1.00 0.79 C ATOM 1278 CG2 VAL A 78 -5.763 0.528 -5.328 1.00 0.43 C ATOM 0 H VAL A 78 -3.109 0.031 -6.547 1.00 0.14 H new ATOM 0 HA VAL A 78 -3.219 0.683 -3.684 1.00 0.15 H new ATOM 0 HB VAL A 78 -5.071 -1.400 -4.782 1.00 0.30 H new ATOM 0 HG11 VAL A 78 -6.538 -0.586 -3.004 1.00 0.79 H new ATOM 0 HG12 VAL A 78 -4.928 -1.040 -2.396 1.00 0.79 H new ATOM 0 HG13 VAL A 78 -5.348 0.677 -2.609 1.00 0.79 H new ATOM 0 HG21 VAL A 78 -6.817 0.256 -5.270 1.00 0.43 H new ATOM 0 HG22 VAL A 78 -5.637 1.563 -5.012 1.00 0.43 H new ATOM 0 HG23 VAL A 78 -5.416 0.418 -6.355 1.00 0.43 H new ATOM 1288 N ILE A 79 -2.578 -1.729 -3.111 1.00 0.10 N ATOM 1289 CA ILE A 79 -2.035 -3.013 -2.783 1.00 0.09 C ATOM 1290 C ILE A 79 -3.016 -3.684 -1.845 1.00 0.09 C ATOM 1291 O ILE A 79 -2.747 -3.842 -0.656 1.00 0.11 O ATOM 1292 CB ILE A 79 -0.657 -2.873 -2.108 1.00 0.11 C ATOM 1293 CG1 ILE A 79 0.282 -2.019 -2.968 1.00 0.15 C ATOM 1294 CG2 ILE A 79 -0.037 -4.238 -1.846 1.00 0.15 C ATOM 1295 CD1 ILE A 79 1.629 -1.763 -2.327 1.00 0.60 C ATOM 0 H ILE A 79 -2.886 -1.193 -2.300 1.00 0.10 H new ATOM 0 HA ILE A 79 -1.890 -3.606 -3.686 1.00 0.09 H new ATOM 0 HB ILE A 79 -0.802 -2.374 -1.150 1.00 0.11 H new ATOM 0 HG12 ILE A 79 0.434 -2.515 -3.927 1.00 0.15 H new ATOM 0 HG13 ILE A 79 -0.199 -1.063 -3.176 1.00 0.15 H new ATOM 0 HG21 ILE A 79 0.935 -4.111 -1.369 1.00 0.15 H new ATOM 0 HG22 ILE A 79 -0.690 -4.815 -1.191 1.00 0.15 H new ATOM 0 HG23 ILE A 79 0.089 -4.768 -2.790 1.00 0.15 H new ATOM 0 HD11 ILE A 79 2.239 -1.153 -2.993 1.00 0.60 H new ATOM 0 HD12 ILE A 79 1.488 -1.239 -1.382 1.00 0.60 H new ATOM 0 HD13 ILE A 79 2.131 -2.713 -2.144 1.00 0.60 H new ATOM 1307 N ILE A 80 -4.197 -3.996 -2.367 1.00 0.09 N ATOM 1308 CA ILE A 80 -5.278 -4.461 -1.501 1.00 0.10 C ATOM 1309 C ILE A 80 -4.932 -5.781 -0.823 1.00 0.12 C ATOM 1310 O ILE A 80 -4.313 -6.666 -1.409 1.00 0.14 O ATOM 1311 CB ILE A 80 -6.665 -4.573 -2.196 1.00 0.12 C ATOM 1312 CG1 ILE A 80 -6.751 -5.802 -3.118 1.00 0.13 C ATOM 1313 CG2 ILE A 80 -6.963 -3.301 -2.975 1.00 0.12 C ATOM 1314 CD1 ILE A 80 -5.897 -5.716 -4.367 1.00 0.13 C ATOM 0 H ILE A 80 -4.429 -3.939 -3.359 1.00 0.09 H new ATOM 0 HA ILE A 80 -5.373 -3.677 -0.749 1.00 0.10 H new ATOM 0 HB ILE A 80 -7.416 -4.702 -1.416 1.00 0.12 H new ATOM 0 HG12 ILE A 80 -6.456 -6.685 -2.552 1.00 0.13 H new ATOM 0 HG13 ILE A 80 -7.790 -5.946 -3.414 1.00 0.13 H new ATOM 0 HG21 ILE A 80 -7.936 -3.390 -3.458 1.00 0.12 H new ATOM 0 HG22 ILE A 80 -6.972 -2.451 -2.293 1.00 0.12 H new ATOM 0 HG23 ILE A 80 -6.194 -3.150 -3.733 1.00 0.12 H new ATOM 0 HD11 ILE A 80 -6.021 -6.625 -4.956 1.00 0.13 H new ATOM 0 HD12 ILE A 80 -6.205 -4.855 -4.960 1.00 0.13 H new ATOM 0 HD13 ILE A 80 -4.850 -5.606 -4.085 1.00 0.13 H new ATOM 1326 N MET A 81 -5.327 -5.878 0.429 1.00 0.15 N ATOM 1327 CA MET A 81 -5.024 -7.025 1.262 1.00 0.21 C ATOM 1328 C MET A 81 -6.181 -8.007 1.250 1.00 0.20 C ATOM 1329 O MET A 81 -7.321 -7.645 1.535 1.00 0.36 O ATOM 1330 CB MET A 81 -4.748 -6.562 2.679 1.00 0.31 C ATOM 1331 CG MET A 81 -3.928 -5.286 2.731 1.00 0.43 C ATOM 1332 SD MET A 81 -3.594 -4.735 4.407 1.00 0.80 S ATOM 1333 CE MET A 81 -3.140 -6.279 5.195 1.00 1.88 C ATOM 0 H MET A 81 -5.872 -5.157 0.902 1.00 0.15 H new ATOM 0 HA MET A 81 -4.141 -7.528 0.868 1.00 0.21 H new ATOM 0 HB2 MET A 81 -5.695 -6.401 3.195 1.00 0.31 H new ATOM 0 HB3 MET A 81 -4.221 -7.350 3.218 1.00 0.31 H new ATOM 0 HG2 MET A 81 -2.983 -5.446 2.212 1.00 0.43 H new ATOM 0 HG3 MET A 81 -4.457 -4.499 2.194 1.00 0.43 H new ATOM 0 HE1 MET A 81 -2.392 -6.089 5.964 1.00 1.88 H new ATOM 0 HE2 MET A 81 -4.023 -6.728 5.650 1.00 1.88 H new ATOM 0 HE3 MET A 81 -2.729 -6.961 4.450 1.00 1.88 H new ATOM 1343 N THR A 82 -5.892 -9.239 0.882 1.00 0.25 N ATOM 1344 CA THR A 82 -6.925 -10.243 0.718 1.00 0.30 C ATOM 1345 C THR A 82 -6.586 -11.536 1.436 1.00 0.31 C ATOM 1346 O THR A 82 -5.427 -11.786 1.774 1.00 0.35 O ATOM 1347 CB THR A 82 -7.119 -10.531 -0.771 1.00 0.47 C ATOM 1348 OG1 THR A 82 -6.055 -11.358 -1.260 1.00 1.13 O ATOM 1349 CG2 THR A 82 -7.126 -9.230 -1.548 1.00 0.91 C ATOM 0 H THR A 82 -4.947 -9.570 0.690 1.00 0.25 H new ATOM 0 HA THR A 82 -7.841 -9.849 1.157 1.00 0.30 H new ATOM 0 HB THR A 82 -8.070 -11.048 -0.903 1.00 0.47 H new ATOM 0 HG1 THR A 82 -6.101 -11.406 -2.238 1.00 1.13 H new ATOM 0 HG21 THR A 82 -7.264 -9.440 -2.609 1.00 0.91 H new ATOM 0 HG22 THR A 82 -7.941 -8.599 -1.194 1.00 0.91 H new ATOM 0 HG23 THR A 82 -6.177 -8.714 -1.401 1.00 0.91 H new ATOM 1357 N ALA A 83 -7.612 -12.334 1.709 1.00 0.33 N ATOM 1358 CA ALA A 83 -7.415 -13.720 2.106 1.00 0.40 C ATOM 1359 C ALA A 83 -6.834 -14.516 0.940 1.00 0.45 C ATOM 1360 O ALA A 83 -7.541 -15.272 0.278 1.00 0.54 O ATOM 1361 CB ALA A 83 -8.720 -14.341 2.581 1.00 0.47 C ATOM 0 H ALA A 83 -8.589 -12.043 1.662 1.00 0.33 H new ATOM 0 HA ALA A 83 -6.711 -13.746 2.938 1.00 0.40 H new ATOM 0 HB1 ALA A 83 -8.545 -15.377 2.872 1.00 0.47 H new ATOM 0 HB2 ALA A 83 -9.098 -13.783 3.437 1.00 0.47 H new ATOM 0 HB3 ALA A 83 -9.453 -14.309 1.775 1.00 0.47 H new ATOM 1367 N TYR A 84 -5.553 -14.260 0.675 1.00 0.45 N ATOM 1368 CA TYR A 84 -4.755 -14.919 -0.369 1.00 0.55 C ATOM 1369 C TYR A 84 -5.425 -14.918 -1.752 1.00 0.56 C ATOM 1370 O TYR A 84 -5.057 -15.700 -2.629 1.00 0.77 O ATOM 1371 CB TYR A 84 -4.341 -16.349 0.050 1.00 0.69 C ATOM 1372 CG TYR A 84 -5.468 -17.367 0.148 1.00 1.26 C ATOM 1373 CD1 TYR A 84 -5.979 -17.992 -0.987 1.00 2.03 C ATOM 1374 CD2 TYR A 84 -6.031 -17.692 1.377 1.00 1.92 C ATOM 1375 CE1 TYR A 84 -7.009 -18.912 -0.894 1.00 2.97 C ATOM 1376 CE2 TYR A 84 -7.059 -18.608 1.476 1.00 2.83 C ATOM 1377 CZ TYR A 84 -7.518 -19.247 0.315 1.00 3.26 C ATOM 1378 OH TYR A 84 -8.577 -20.125 0.440 1.00 4.30 O ATOM 0 H TYR A 84 -5.020 -13.565 1.197 1.00 0.45 H new ATOM 0 HA TYR A 84 -3.853 -14.316 -0.472 1.00 0.55 H new ATOM 0 HB2 TYR A 84 -3.606 -16.718 -0.666 1.00 0.69 H new ATOM 0 HB3 TYR A 84 -3.843 -16.293 1.018 1.00 0.69 H new ATOM 0 HD1 TYR A 84 -5.565 -17.755 -1.956 1.00 2.03 H new ATOM 0 HD2 TYR A 84 -5.656 -17.218 2.272 1.00 1.92 H new ATOM 0 HE1 TYR A 84 -7.408 -19.365 -1.790 1.00 2.97 H new ATOM 0 HE2 TYR A 84 -7.504 -18.830 2.435 1.00 2.83 H new ATOM 0 HH TYR A 84 -8.797 -20.239 1.388 1.00 4.30 H new ATOM 1388 N GLY A 85 -6.350 -13.999 -1.963 1.00 0.52 N ATOM 1389 CA GLY A 85 -7.029 -13.910 -3.236 1.00 0.56 C ATOM 1390 C GLY A 85 -8.210 -14.852 -3.335 1.00 0.55 C ATOM 1391 O GLY A 85 -8.068 -16.006 -3.727 1.00 0.62 O ATOM 0 H GLY A 85 -6.645 -13.309 -1.272 1.00 0.52 H new ATOM 0 HA2 GLY A 85 -7.372 -12.887 -3.390 1.00 0.56 H new ATOM 0 HA3 GLY A 85 -6.323 -14.133 -4.036 1.00 0.56 H new ATOM 1395 N GLU A 86 -9.378 -14.342 -2.983 1.00 0.55 N ATOM 1396 CA GLU A 86 -10.618 -15.107 -3.032 1.00 0.62 C ATOM 1397 C GLU A 86 -11.286 -14.977 -4.407 1.00 0.68 C ATOM 1398 O GLU A 86 -12.453 -15.324 -4.581 1.00 1.05 O ATOM 1399 CB GLU A 86 -11.546 -14.604 -1.924 1.00 0.72 C ATOM 1400 CG GLU A 86 -10.815 -14.405 -0.603 1.00 0.74 C ATOM 1401 CD GLU A 86 -11.718 -13.963 0.527 1.00 1.04 C ATOM 1402 OE1 GLU A 86 -11.873 -12.742 0.720 1.00 1.17 O ATOM 1403 OE2 GLU A 86 -12.241 -14.838 1.251 1.00 1.33 O ATOM 0 H GLU A 86 -9.496 -13.384 -2.654 1.00 0.55 H new ATOM 0 HA GLU A 86 -10.403 -16.164 -2.876 1.00 0.62 H new ATOM 0 HB2 GLU A 86 -11.998 -13.661 -2.232 1.00 0.72 H new ATOM 0 HB3 GLU A 86 -12.359 -15.316 -1.783 1.00 0.72 H new ATOM 0 HG2 GLU A 86 -10.327 -15.338 -0.323 1.00 0.74 H new ATOM 0 HG3 GLU A 86 -10.029 -13.663 -0.740 1.00 0.74 H new ATOM 1410 N LEU A 87 -10.509 -14.479 -5.375 1.00 0.71 N ATOM 1411 CA LEU A 87 -10.950 -14.319 -6.768 1.00 0.73 C ATOM 1412 C LEU A 87 -12.074 -13.289 -6.935 1.00 0.74 C ATOM 1413 O LEU A 87 -12.469 -12.605 -5.988 1.00 0.72 O ATOM 1414 CB LEU A 87 -11.377 -15.669 -7.370 1.00 0.85 C ATOM 1415 CG LEU A 87 -10.263 -16.469 -8.057 1.00 1.14 C ATOM 1416 CD1 LEU A 87 -9.718 -15.697 -9.248 1.00 1.48 C ATOM 1417 CD2 LEU A 87 -9.147 -16.803 -7.081 1.00 1.73 C ATOM 0 H LEU A 87 -9.549 -14.173 -5.214 1.00 0.71 H new ATOM 0 HA LEU A 87 -10.086 -13.936 -7.312 1.00 0.73 H new ATOM 0 HB2 LEU A 87 -11.804 -16.282 -6.576 1.00 0.85 H new ATOM 0 HB3 LEU A 87 -12.171 -15.489 -8.095 1.00 0.85 H new ATOM 0 HG LEU A 87 -10.688 -17.408 -8.413 1.00 1.14 H new ATOM 0 HD11 LEU A 87 -8.928 -16.276 -9.726 1.00 1.48 H new ATOM 0 HD12 LEU A 87 -10.521 -15.518 -9.963 1.00 1.48 H new ATOM 0 HD13 LEU A 87 -9.314 -14.743 -8.909 1.00 1.48 H new ATOM 0 HD21 LEU A 87 -8.371 -17.370 -7.595 1.00 1.73 H new ATOM 0 HD22 LEU A 87 -8.721 -15.881 -6.686 1.00 1.73 H new ATOM 0 HD23 LEU A 87 -9.547 -17.398 -6.260 1.00 1.73 H new ATOM 1429 N ASP A 88 -12.528 -13.156 -8.181 1.00 0.80 N ATOM 1430 CA ASP A 88 -13.638 -12.275 -8.558 1.00 0.85 C ATOM 1431 C ASP A 88 -13.340 -10.804 -8.238 1.00 0.74 C ATOM 1432 O ASP A 88 -12.620 -10.144 -8.985 1.00 0.67 O ATOM 1433 CB ASP A 88 -14.945 -12.740 -7.901 1.00 1.01 C ATOM 1434 CG ASP A 88 -16.150 -11.933 -8.338 1.00 1.03 C ATOM 1435 OD1 ASP A 88 -16.495 -11.987 -9.537 1.00 1.38 O ATOM 1436 OD2 ASP A 88 -16.749 -11.244 -7.487 1.00 1.38 O ATOM 0 H ASP A 88 -12.130 -13.664 -8.971 1.00 0.80 H new ATOM 0 HA ASP A 88 -13.759 -12.341 -9.639 1.00 0.85 H new ATOM 0 HB2 ASP A 88 -15.112 -13.790 -8.141 1.00 1.01 H new ATOM 0 HB3 ASP A 88 -14.844 -12.673 -6.818 1.00 1.01 H new ATOM 1441 N MET A 89 -13.876 -10.296 -7.128 1.00 0.76 N ATOM 1442 CA MET A 89 -13.584 -8.941 -6.671 1.00 0.73 C ATOM 1443 C MET A 89 -12.090 -8.766 -6.432 1.00 0.57 C ATOM 1444 O MET A 89 -11.572 -7.657 -6.461 1.00 0.53 O ATOM 1445 CB MET A 89 -14.366 -8.627 -5.391 1.00 0.87 C ATOM 1446 CG MET A 89 -14.021 -9.530 -4.214 1.00 1.58 C ATOM 1447 SD MET A 89 -15.001 -9.165 -2.744 1.00 1.63 S ATOM 1448 CE MET A 89 -14.526 -7.467 -2.422 1.00 2.72 C ATOM 0 H MET A 89 -14.520 -10.809 -6.526 1.00 0.76 H new ATOM 0 HA MET A 89 -13.894 -8.244 -7.449 1.00 0.73 H new ATOM 0 HB2 MET A 89 -14.178 -7.591 -5.108 1.00 0.87 H new ATOM 0 HB3 MET A 89 -15.432 -8.712 -5.600 1.00 0.87 H new ATOM 0 HG2 MET A 89 -14.178 -10.570 -4.501 1.00 1.58 H new ATOM 0 HG3 MET A 89 -12.963 -9.421 -3.976 1.00 1.58 H new ATOM 0 HE1 MET A 89 -14.360 -7.332 -1.353 1.00 2.72 H new ATOM 0 HE2 MET A 89 -13.609 -7.237 -2.964 1.00 2.72 H new ATOM 0 HE3 MET A 89 -15.320 -6.798 -2.753 1.00 2.72 H new ATOM 1458 N ILE A 90 -11.404 -9.872 -6.194 1.00 0.53 N ATOM 1459 CA ILE A 90 -9.956 -9.862 -6.070 1.00 0.45 C ATOM 1460 C ILE A 90 -9.319 -9.487 -7.403 1.00 0.42 C ATOM 1461 O ILE A 90 -8.355 -8.726 -7.458 1.00 0.51 O ATOM 1462 CB ILE A 90 -9.445 -11.244 -5.627 1.00 0.48 C ATOM 1463 CG1 ILE A 90 -10.074 -11.627 -4.286 1.00 0.58 C ATOM 1464 CG2 ILE A 90 -7.924 -11.268 -5.542 1.00 0.49 C ATOM 1465 CD1 ILE A 90 -9.639 -10.764 -3.130 1.00 0.67 C ATOM 0 H ILE A 90 -11.829 -10.792 -6.082 1.00 0.53 H new ATOM 0 HA ILE A 90 -9.680 -9.124 -5.317 1.00 0.45 H new ATOM 0 HB ILE A 90 -9.741 -11.979 -6.376 1.00 0.48 H new ATOM 0 HG12 ILE A 90 -11.159 -11.572 -4.378 1.00 0.58 H new ATOM 0 HG13 ILE A 90 -9.825 -12.665 -4.064 1.00 0.58 H new ATOM 0 HG21 ILE A 90 -7.593 -12.257 -5.227 1.00 0.49 H new ATOM 0 HG22 ILE A 90 -7.501 -11.039 -6.520 1.00 0.49 H new ATOM 0 HG23 ILE A 90 -7.588 -10.525 -4.818 1.00 0.49 H new ATOM 0 HD11 ILE A 90 -10.131 -11.103 -2.218 1.00 0.67 H new ATOM 0 HD12 ILE A 90 -8.558 -10.837 -3.008 1.00 0.67 H new ATOM 0 HD13 ILE A 90 -9.913 -9.727 -3.327 1.00 0.67 H new ATOM 1477 N GLN A 91 -9.888 -10.017 -8.478 1.00 0.48 N ATOM 1478 CA GLN A 91 -9.402 -9.740 -9.819 1.00 0.52 C ATOM 1479 C GLN A 91 -9.771 -8.321 -10.211 1.00 0.44 C ATOM 1480 O GLN A 91 -8.992 -7.605 -10.834 1.00 0.40 O ATOM 1481 CB GLN A 91 -9.998 -10.728 -10.818 1.00 0.67 C ATOM 1482 CG GLN A 91 -9.736 -12.168 -10.437 1.00 0.79 C ATOM 1483 CD GLN A 91 -8.256 -12.503 -10.415 1.00 1.78 C ATOM 1484 OE1 GLN A 91 -7.692 -12.942 -11.413 1.00 2.50 O ATOM 1485 NE2 GLN A 91 -7.616 -12.290 -9.276 1.00 2.49 N ATOM 0 H GLN A 91 -10.691 -10.645 -8.444 1.00 0.48 H new ATOM 0 HA GLN A 91 -8.317 -9.849 -9.830 1.00 0.52 H new ATOM 0 HB2 GLN A 91 -11.073 -10.564 -10.888 1.00 0.67 H new ATOM 0 HB3 GLN A 91 -9.581 -10.536 -11.807 1.00 0.67 H new ATOM 0 HG2 GLN A 91 -10.164 -12.364 -9.454 1.00 0.79 H new ATOM 0 HG3 GLN A 91 -10.244 -12.825 -11.143 1.00 0.79 H new ATOM 0 HE21 GLN A 91 -8.120 -11.924 -8.468 1.00 2.49 H new ATOM 0 HE22 GLN A 91 -6.619 -12.492 -9.206 1.00 2.49 H new ATOM 1494 N GLU A 92 -10.969 -7.931 -9.815 1.00 0.47 N ATOM 1495 CA GLU A 92 -11.494 -6.610 -10.099 1.00 0.46 C ATOM 1496 C GLU A 92 -10.731 -5.523 -9.342 1.00 0.37 C ATOM 1497 O GLU A 92 -10.451 -4.456 -9.886 1.00 0.37 O ATOM 1498 CB GLU A 92 -12.968 -6.573 -9.729 1.00 0.58 C ATOM 1499 CG GLU A 92 -13.525 -5.172 -9.659 1.00 0.65 C ATOM 1500 CD GLU A 92 -14.982 -5.118 -9.254 1.00 0.83 C ATOM 1501 OE1 GLU A 92 -15.817 -5.733 -9.946 1.00 0.94 O ATOM 1502 OE2 GLU A 92 -15.299 -4.466 -8.244 1.00 1.27 O ATOM 0 H GLU A 92 -11.607 -8.525 -9.285 1.00 0.47 H new ATOM 0 HA GLU A 92 -11.371 -6.410 -11.163 1.00 0.46 H new ATOM 0 HB2 GLU A 92 -13.535 -7.147 -10.462 1.00 0.58 H new ATOM 0 HB3 GLU A 92 -13.107 -7.062 -8.765 1.00 0.58 H new ATOM 0 HG2 GLU A 92 -12.937 -4.592 -8.948 1.00 0.65 H new ATOM 0 HG3 GLU A 92 -13.409 -4.695 -10.632 1.00 0.65 H new ATOM 1509 N SER A 93 -10.404 -5.798 -8.090 1.00 0.34 N ATOM 1510 CA SER A 93 -9.693 -4.842 -7.258 1.00 0.34 C ATOM 1511 C SER A 93 -8.410 -4.396 -7.953 1.00 0.33 C ATOM 1512 O SER A 93 -8.235 -3.219 -8.274 1.00 0.32 O ATOM 1513 CB SER A 93 -9.377 -5.471 -5.899 1.00 0.43 C ATOM 1514 OG SER A 93 -9.053 -4.485 -4.940 1.00 1.28 O ATOM 0 H SER A 93 -10.621 -6.680 -7.626 1.00 0.34 H new ATOM 0 HA SER A 93 -10.322 -3.966 -7.100 1.00 0.34 H new ATOM 0 HB2 SER A 93 -10.235 -6.048 -5.555 1.00 0.43 H new ATOM 0 HB3 SER A 93 -8.545 -6.168 -6.003 1.00 0.43 H new ATOM 0 HG SER A 93 -9.476 -4.709 -4.085 1.00 1.28 H new ATOM 1520 N LYS A 94 -7.527 -5.348 -8.211 1.00 0.33 N ATOM 1521 CA LYS A 94 -6.305 -5.066 -8.944 1.00 0.34 C ATOM 1522 C LYS A 94 -6.606 -4.492 -10.337 1.00 0.32 C ATOM 1523 O LYS A 94 -5.932 -3.564 -10.780 1.00 0.33 O ATOM 1524 CB LYS A 94 -5.442 -6.320 -9.054 1.00 0.36 C ATOM 1525 CG LYS A 94 -6.157 -7.504 -9.661 1.00 0.37 C ATOM 1526 CD LYS A 94 -5.272 -8.739 -9.736 1.00 0.43 C ATOM 1527 CE LYS A 94 -4.095 -8.537 -10.677 1.00 1.37 C ATOM 1528 NZ LYS A 94 -2.989 -7.756 -10.057 1.00 1.91 N ATOM 0 H LYS A 94 -7.634 -6.321 -7.924 1.00 0.33 H new ATOM 0 HA LYS A 94 -5.750 -4.311 -8.387 1.00 0.34 H new ATOM 0 HB2 LYS A 94 -4.562 -6.092 -9.656 1.00 0.36 H new ATOM 0 HB3 LYS A 94 -5.087 -6.593 -8.060 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -7.044 -7.731 -9.070 1.00 0.37 H new ATOM 0 HG3 LYS A 94 -6.499 -7.244 -10.663 1.00 0.37 H new ATOM 0 HD2 LYS A 94 -4.903 -8.982 -8.740 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -5.864 -9.590 -10.073 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -3.716 -9.509 -10.991 1.00 1.37 H new ATOM 0 HE3 LYS A 94 -4.438 -8.023 -11.575 1.00 1.37 H new ATOM 0 HZ1 LYS A 94 -2.923 -6.824 -10.515 1.00 1.91 H new ATOM 0 HZ2 LYS A 94 -3.179 -7.631 -9.042 1.00 1.91 H new ATOM 0 HZ3 LYS A 94 -2.092 -8.267 -10.181 1.00 1.91 H new ATOM 1542 N GLU A 95 -7.637 -5.018 -11.010 1.00 0.33 N ATOM 1543 CA GLU A 95 -7.966 -4.580 -12.371 1.00 0.35 C ATOM 1544 C GLU A 95 -8.343 -3.097 -12.411 1.00 0.31 C ATOM 1545 O GLU A 95 -8.154 -2.429 -13.431 1.00 0.37 O ATOM 1546 CB GLU A 95 -9.089 -5.438 -12.983 1.00 0.49 C ATOM 1547 CG GLU A 95 -10.490 -4.861 -12.837 1.00 0.56 C ATOM 1548 CD GLU A 95 -11.512 -5.582 -13.692 1.00 1.32 C ATOM 1549 OE1 GLU A 95 -11.978 -6.667 -13.291 1.00 1.84 O ATOM 1550 OE2 GLU A 95 -11.848 -5.070 -14.780 1.00 1.72 O ATOM 0 H GLU A 95 -8.253 -5.741 -10.638 1.00 0.33 H new ATOM 0 HA GLU A 95 -7.068 -4.715 -12.974 1.00 0.35 H new ATOM 0 HB2 GLU A 95 -8.880 -5.581 -14.043 1.00 0.49 H new ATOM 0 HB3 GLU A 95 -9.068 -6.423 -12.518 1.00 0.49 H new ATOM 0 HG2 GLU A 95 -10.794 -4.916 -11.792 1.00 0.56 H new ATOM 0 HG3 GLU A 95 -10.474 -3.806 -13.110 1.00 0.56 H new ATOM 1557 N LEU A 96 -8.858 -2.583 -11.303 1.00 0.28 N ATOM 1558 CA LEU A 96 -9.286 -1.194 -11.239 1.00 0.28 C ATOM 1559 C LEU A 96 -8.139 -0.252 -10.895 1.00 0.28 C ATOM 1560 O LEU A 96 -8.292 0.972 -10.938 1.00 0.47 O ATOM 1561 CB LEU A 96 -10.412 -1.024 -10.229 1.00 0.34 C ATOM 1562 CG LEU A 96 -11.816 -1.248 -10.780 1.00 0.55 C ATOM 1563 CD1 LEU A 96 -12.850 -0.926 -9.719 1.00 1.16 C ATOM 1564 CD2 LEU A 96 -12.048 -0.400 -12.023 1.00 1.25 C ATOM 0 H LEU A 96 -8.989 -3.107 -10.438 1.00 0.28 H new ATOM 0 HA LEU A 96 -9.647 -0.930 -12.233 1.00 0.28 H new ATOM 0 HB2 LEU A 96 -10.247 -1.718 -9.405 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -10.358 -0.018 -9.814 1.00 0.34 H new ATOM 0 HG LEU A 96 -11.915 -2.297 -11.060 1.00 0.55 H new ATOM 0 HD11 LEU A 96 -13.849 -1.089 -10.123 1.00 1.16 H new ATOM 0 HD12 LEU A 96 -12.698 -1.573 -8.855 1.00 1.16 H new ATOM 0 HD13 LEU A 96 -12.747 0.116 -9.415 1.00 1.16 H new ATOM 0 HD21 LEU A 96 -13.056 -0.575 -12.400 1.00 1.25 H new ATOM 0 HD22 LEU A 96 -11.933 0.654 -11.771 1.00 1.25 H new ATOM 0 HD23 LEU A 96 -11.322 -0.671 -12.789 1.00 1.25 H new ATOM 1576 N GLY A 97 -6.998 -0.815 -10.545 1.00 0.20 N ATOM 1577 CA GLY A 97 -5.839 0.007 -10.270 1.00 0.21 C ATOM 1578 C GLY A 97 -5.077 -0.417 -9.028 1.00 0.20 C ATOM 1579 O GLY A 97 -4.334 0.382 -8.457 1.00 0.35 O ATOM 0 H GLY A 97 -6.851 -1.819 -10.446 1.00 0.20 H new ATOM 0 HA2 GLY A 97 -5.167 -0.027 -11.128 1.00 0.21 H new ATOM 0 HA3 GLY A 97 -6.157 1.043 -10.155 1.00 0.21 H new ATOM 1583 N ALA A 98 -5.280 -1.647 -8.579 1.00 0.15 N ATOM 1584 CA ALA A 98 -4.464 -2.204 -7.517 1.00 0.13 C ATOM 1585 C ALA A 98 -3.387 -3.086 -8.131 1.00 0.14 C ATOM 1586 O ALA A 98 -3.644 -3.818 -9.078 1.00 0.21 O ATOM 1587 CB ALA A 98 -5.315 -2.990 -6.528 1.00 0.17 C ATOM 0 H ALA A 98 -6.001 -2.275 -8.934 1.00 0.15 H new ATOM 0 HA ALA A 98 -3.993 -1.393 -6.962 1.00 0.13 H new ATOM 0 HB1 ALA A 98 -4.678 -3.396 -5.742 1.00 0.17 H new ATOM 0 HB2 ALA A 98 -6.061 -2.330 -6.085 1.00 0.17 H new ATOM 0 HB3 ALA A 98 -5.816 -3.807 -7.048 1.00 0.17 H new ATOM 1593 N LEU A 99 -2.184 -3.006 -7.611 1.00 0.15 N ATOM 1594 CA LEU A 99 -1.075 -3.752 -8.166 1.00 0.16 C ATOM 1595 C LEU A 99 -1.151 -5.200 -7.744 1.00 0.15 C ATOM 1596 O LEU A 99 -1.090 -6.112 -8.568 1.00 0.17 O ATOM 1597 CB LEU A 99 0.229 -3.179 -7.652 1.00 0.18 C ATOM 1598 CG LEU A 99 0.257 -1.662 -7.566 1.00 0.17 C ATOM 1599 CD1 LEU A 99 1.471 -1.188 -6.780 1.00 0.17 C ATOM 1600 CD2 LEU A 99 0.248 -1.052 -8.961 1.00 0.18 C ATOM 0 H LEU A 99 -1.947 -2.431 -6.803 1.00 0.15 H new ATOM 0 HA LEU A 99 -1.123 -3.682 -9.253 1.00 0.16 H new ATOM 0 HB2 LEU A 99 0.428 -3.591 -6.662 1.00 0.18 H new ATOM 0 HB3 LEU A 99 1.039 -3.509 -8.303 1.00 0.18 H new ATOM 0 HG LEU A 99 -0.637 -1.331 -7.038 1.00 0.17 H new ATOM 0 HD11 LEU A 99 1.470 -0.099 -6.731 1.00 0.17 H new ATOM 0 HD12 LEU A 99 1.433 -1.596 -5.770 1.00 0.17 H new ATOM 0 HD13 LEU A 99 2.381 -1.529 -7.275 1.00 0.17 H new ATOM 0 HD21 LEU A 99 0.268 0.035 -8.883 1.00 0.18 H new ATOM 0 HD22 LEU A 99 1.124 -1.393 -9.513 1.00 0.18 H new ATOM 0 HD23 LEU A 99 -0.655 -1.361 -9.487 1.00 0.18 H new ATOM 1612 N THR A 100 -1.321 -5.401 -6.449 1.00 0.14 N ATOM 1613 CA THR A 100 -1.291 -6.732 -5.892 1.00 0.14 C ATOM 1614 C THR A 100 -2.359 -6.918 -4.822 1.00 0.15 C ATOM 1615 O THR A 100 -2.717 -5.978 -4.114 1.00 0.13 O ATOM 1616 CB THR A 100 0.084 -7.044 -5.267 1.00 0.16 C ATOM 1617 OG1 THR A 100 0.339 -6.141 -4.185 1.00 0.19 O ATOM 1618 CG2 THR A 100 1.201 -6.925 -6.298 1.00 0.16 C ATOM 0 H THR A 100 -1.481 -4.658 -5.769 1.00 0.14 H new ATOM 0 HA THR A 100 -1.485 -7.416 -6.718 1.00 0.14 H new ATOM 0 HB THR A 100 0.062 -8.070 -4.900 1.00 0.16 H new ATOM 0 HG1 THR A 100 0.960 -5.443 -4.481 1.00 0.19 H new ATOM 0 HG21 THR A 100 2.157 -7.151 -5.826 1.00 0.16 H new ATOM 0 HG22 THR A 100 1.022 -7.629 -7.111 1.00 0.16 H new ATOM 0 HG23 THR A 100 1.223 -5.910 -6.695 1.00 0.16 H new ATOM 1626 N ALA A 101 -2.845 -8.146 -4.725 1.00 0.26 N ATOM 1627 CA ALA A 101 -3.742 -8.542 -3.661 1.00 0.27 C ATOM 1628 C ALA A 101 -2.974 -9.391 -2.656 1.00 0.36 C ATOM 1629 O ALA A 101 -2.980 -10.619 -2.729 1.00 0.52 O ATOM 1630 CB ALA A 101 -4.931 -9.309 -4.222 1.00 0.36 C ATOM 0 H ALA A 101 -2.626 -8.893 -5.384 1.00 0.26 H new ATOM 0 HA ALA A 101 -4.129 -7.654 -3.160 1.00 0.27 H new ATOM 0 HB1 ALA A 101 -5.594 -9.599 -3.407 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -5.474 -8.676 -4.924 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -4.578 -10.202 -4.737 1.00 0.36 H new ATOM 1636 N PHE A 102 -2.297 -8.725 -1.732 1.00 0.41 N ATOM 1637 CA PHE A 102 -1.367 -9.397 -0.840 1.00 0.58 C ATOM 1638 C PHE A 102 -2.095 -9.937 0.384 1.00 0.39 C ATOM 1639 O PHE A 102 -3.063 -9.340 0.857 1.00 0.46 O ATOM 1640 CB PHE A 102 -0.218 -8.444 -0.471 1.00 0.92 C ATOM 1641 CG PHE A 102 -0.393 -7.609 0.765 1.00 1.68 C ATOM 1642 CD1 PHE A 102 -0.126 -8.130 2.018 1.00 2.38 C ATOM 1643 CD2 PHE A 102 -0.771 -6.284 0.664 1.00 2.35 C ATOM 1644 CE1 PHE A 102 -0.244 -7.350 3.147 1.00 3.38 C ATOM 1645 CE2 PHE A 102 -0.882 -5.496 1.788 1.00 3.44 C ATOM 1646 CZ PHE A 102 -0.620 -6.030 3.031 1.00 3.86 C ATOM 0 H PHE A 102 -2.375 -7.719 -1.581 1.00 0.41 H new ATOM 0 HA PHE A 102 -0.929 -10.256 -1.348 1.00 0.58 H new ATOM 0 HB2 PHE A 102 0.689 -9.037 -0.353 1.00 0.92 H new ATOM 0 HB3 PHE A 102 -0.052 -7.772 -1.313 1.00 0.92 H new ATOM 0 HD1 PHE A 102 0.179 -9.162 2.112 1.00 2.38 H new ATOM 0 HD2 PHE A 102 -0.982 -5.861 -0.307 1.00 2.35 H new ATOM 0 HE1 PHE A 102 -0.042 -7.772 4.120 1.00 3.38 H new ATOM 0 HE2 PHE A 102 -1.174 -4.460 1.695 1.00 3.44 H new ATOM 0 HZ PHE A 102 -0.709 -5.414 3.914 1.00 3.86 H new ATOM 1656 N ALA A 103 -1.655 -11.089 0.865 1.00 0.40 N ATOM 1657 CA ALA A 103 -2.267 -11.712 2.022 1.00 0.44 C ATOM 1658 C ALA A 103 -1.505 -11.361 3.288 1.00 0.65 C ATOM 1659 O ALA A 103 -0.377 -10.878 3.224 1.00 0.76 O ATOM 1660 CB ALA A 103 -2.316 -13.216 1.839 1.00 0.57 C ATOM 0 H ALA A 103 -0.873 -11.611 0.469 1.00 0.40 H new ATOM 0 HA ALA A 103 -3.285 -11.334 2.119 1.00 0.44 H new ATOM 0 HB1 ALA A 103 -2.778 -13.674 2.714 1.00 0.57 H new ATOM 0 HB2 ALA A 103 -2.902 -13.456 0.952 1.00 0.57 H new ATOM 0 HB3 ALA A 103 -1.303 -13.601 1.719 1.00 0.57 H new ATOM 1666 N LYS A 104 -2.115 -11.631 4.435 1.00 0.84 N ATOM 1667 CA LYS A 104 -1.508 -11.287 5.718 1.00 1.12 C ATOM 1668 C LYS A 104 -0.284 -12.160 6.050 1.00 1.08 C ATOM 1669 O LYS A 104 0.614 -11.704 6.761 1.00 1.13 O ATOM 1670 CB LYS A 104 -2.545 -11.285 6.853 1.00 1.55 C ATOM 1671 CG LYS A 104 -3.432 -12.517 6.937 1.00 1.83 C ATOM 1672 CD LYS A 104 -4.608 -12.264 7.870 1.00 2.48 C ATOM 1673 CE LYS A 104 -5.519 -13.475 7.991 1.00 2.95 C ATOM 1674 NZ LYS A 104 -4.911 -14.562 8.798 1.00 3.35 N ATOM 0 H LYS A 104 -3.026 -12.085 4.505 1.00 0.84 H new ATOM 0 HA LYS A 104 -1.133 -10.268 5.622 1.00 1.12 H new ATOM 0 HB2 LYS A 104 -2.019 -11.173 7.801 1.00 1.55 H new ATOM 0 HB3 LYS A 104 -3.182 -10.408 6.737 1.00 1.55 H new ATOM 0 HG2 LYS A 104 -3.798 -12.778 5.944 1.00 1.83 H new ATOM 0 HG3 LYS A 104 -2.851 -13.367 7.296 1.00 1.83 H new ATOM 0 HD2 LYS A 104 -4.234 -11.993 8.857 1.00 2.48 H new ATOM 0 HD3 LYS A 104 -5.184 -11.414 7.503 1.00 2.48 H new ATOM 0 HE2 LYS A 104 -6.462 -13.173 8.446 1.00 2.95 H new ATOM 0 HE3 LYS A 104 -5.752 -13.852 6.995 1.00 2.95 H new ATOM 0 HZ1 LYS A 104 -5.570 -15.365 8.851 1.00 3.35 H new ATOM 0 HZ2 LYS A 104 -4.024 -14.871 8.352 1.00 3.35 H new ATOM 0 HZ3 LYS A 104 -4.713 -14.213 9.757 1.00 3.35 H new ATOM 1688 N PRO A 105 -0.198 -13.426 5.585 1.00 1.09 N ATOM 1689 CA PRO A 105 1.087 -14.110 5.582 1.00 1.13 C ATOM 1690 C PRO A 105 1.955 -13.593 4.440 1.00 0.95 C ATOM 1691 O PRO A 105 1.841 -14.038 3.293 1.00 0.91 O ATOM 1692 CB PRO A 105 0.721 -15.581 5.376 1.00 1.28 C ATOM 1693 CG PRO A 105 -0.589 -15.555 4.666 1.00 1.36 C ATOM 1694 CD PRO A 105 -1.293 -14.304 5.121 1.00 1.17 C ATOM 0 HA PRO A 105 1.660 -13.952 6.496 1.00 1.13 H new ATOM 0 HB2 PRO A 105 1.479 -16.098 4.788 1.00 1.28 H new ATOM 0 HB3 PRO A 105 0.644 -16.106 6.328 1.00 1.28 H new ATOM 0 HG2 PRO A 105 -0.445 -15.549 3.586 1.00 1.36 H new ATOM 0 HG3 PRO A 105 -1.178 -16.441 4.904 1.00 1.36 H new ATOM 0 HD2 PRO A 105 -1.856 -13.845 4.308 1.00 1.17 H new ATOM 0 HD3 PRO A 105 -2.003 -14.514 5.921 1.00 1.17 H new ATOM 1702 N PHE A 106 2.810 -12.636 4.755 1.00 0.92 N ATOM 1703 CA PHE A 106 3.660 -12.016 3.748 1.00 0.81 C ATOM 1704 C PHE A 106 5.098 -11.940 4.213 1.00 0.81 C ATOM 1705 O PHE A 106 5.382 -11.851 5.403 1.00 0.86 O ATOM 1706 CB PHE A 106 3.141 -10.622 3.372 1.00 0.76 C ATOM 1707 CG PHE A 106 2.959 -9.679 4.531 1.00 0.80 C ATOM 1708 CD1 PHE A 106 4.043 -9.009 5.069 1.00 0.76 C ATOM 1709 CD2 PHE A 106 1.709 -9.478 5.096 1.00 0.98 C ATOM 1710 CE1 PHE A 106 3.887 -8.153 6.140 1.00 0.85 C ATOM 1711 CE2 PHE A 106 1.548 -8.625 6.169 1.00 1.10 C ATOM 1712 CZ PHE A 106 2.606 -7.915 6.648 1.00 1.02 C ATOM 0 H PHE A 106 2.936 -12.270 5.699 1.00 0.92 H new ATOM 0 HA PHE A 106 3.627 -12.645 2.859 1.00 0.81 H new ATOM 0 HB2 PHE A 106 3.834 -10.172 2.662 1.00 0.76 H new ATOM 0 HB3 PHE A 106 2.186 -10.732 2.859 1.00 0.76 H new ATOM 0 HD1 PHE A 106 5.025 -9.158 4.645 1.00 0.76 H new ATOM 0 HD2 PHE A 106 0.851 -9.995 4.692 1.00 0.98 H new ATOM 0 HE1 PHE A 106 4.747 -7.671 6.582 1.00 0.85 H new ATOM 0 HE2 PHE A 106 0.577 -8.520 6.631 1.00 1.10 H new ATOM 0 HZ PHE A 106 2.457 -7.171 7.417 1.00 1.02 H new ATOM 1722 N ASP A 107 5.999 -11.938 3.249 1.00 0.79 N ATOM 1723 CA ASP A 107 7.425 -12.009 3.515 1.00 0.82 C ATOM 1724 C ASP A 107 7.971 -10.675 4.023 1.00 0.73 C ATOM 1725 O ASP A 107 9.132 -10.580 4.423 1.00 0.72 O ATOM 1726 CB ASP A 107 8.130 -12.447 2.226 1.00 0.88 C ATOM 1727 CG ASP A 107 9.644 -12.380 2.289 1.00 1.35 C ATOM 1728 OD1 ASP A 107 10.233 -13.115 3.106 1.00 1.63 O ATOM 1729 OD2 ASP A 107 10.248 -11.577 1.545 1.00 1.77 O ATOM 0 H ASP A 107 5.764 -11.887 2.258 1.00 0.79 H new ATOM 0 HA ASP A 107 7.613 -12.736 4.305 1.00 0.82 H new ATOM 0 HB2 ASP A 107 7.833 -13.469 1.992 1.00 0.88 H new ATOM 0 HB3 ASP A 107 7.784 -11.819 1.405 1.00 0.88 H new ATOM 1734 N ILE A 108 7.104 -9.662 4.064 1.00 0.73 N ATOM 1735 CA ILE A 108 7.523 -8.277 4.302 1.00 0.71 C ATOM 1736 C ILE A 108 8.387 -7.784 3.145 1.00 0.66 C ATOM 1737 O ILE A 108 7.998 -6.870 2.414 1.00 0.63 O ATOM 1738 CB ILE A 108 8.284 -8.104 5.651 1.00 0.77 C ATOM 1739 CG1 ILE A 108 7.297 -7.959 6.807 1.00 0.67 C ATOM 1740 CG2 ILE A 108 9.216 -6.898 5.615 1.00 1.33 C ATOM 1741 CD1 ILE A 108 7.920 -8.203 8.164 1.00 1.39 C ATOM 0 H ILE A 108 6.099 -9.775 3.934 1.00 0.73 H new ATOM 0 HA ILE A 108 6.616 -7.675 4.367 1.00 0.71 H new ATOM 0 HB ILE A 108 8.888 -8.998 5.803 1.00 0.77 H new ATOM 0 HG12 ILE A 108 6.870 -6.956 6.787 1.00 0.67 H new ATOM 0 HG13 ILE A 108 6.474 -8.659 6.662 1.00 0.67 H new ATOM 0 HG21 ILE A 108 9.731 -6.807 6.572 1.00 1.33 H new ATOM 0 HG22 ILE A 108 9.949 -7.029 4.819 1.00 1.33 H new ATOM 0 HG23 ILE A 108 8.635 -5.995 5.428 1.00 1.33 H new ATOM 0 HD11 ILE A 108 7.163 -8.084 8.939 1.00 1.39 H new ATOM 0 HD12 ILE A 108 8.322 -9.215 8.203 1.00 1.39 H new ATOM 0 HD13 ILE A 108 8.724 -7.486 8.329 1.00 1.39 H new ATOM 1753 N ASP A 109 9.525 -8.437 2.953 1.00 0.68 N ATOM 1754 CA ASP A 109 10.480 -8.045 1.936 1.00 0.67 C ATOM 1755 C ASP A 109 9.875 -8.173 0.550 1.00 0.62 C ATOM 1756 O ASP A 109 10.270 -7.459 -0.342 1.00 0.58 O ATOM 1757 CB ASP A 109 11.752 -8.887 2.034 1.00 0.73 C ATOM 1758 CG ASP A 109 12.865 -8.388 1.133 1.00 0.95 C ATOM 1759 OD1 ASP A 109 13.432 -7.313 1.413 1.00 1.16 O ATOM 1760 OD2 ASP A 109 13.157 -9.056 0.123 1.00 1.08 O ATOM 0 H ASP A 109 9.808 -9.251 3.499 1.00 0.68 H new ATOM 0 HA ASP A 109 10.740 -7.000 2.106 1.00 0.67 H new ATOM 0 HB2 ASP A 109 12.101 -8.888 3.067 1.00 0.73 H new ATOM 0 HB3 ASP A 109 11.518 -9.920 1.775 1.00 0.73 H new ATOM 1765 N GLU A 110 8.900 -9.068 0.372 1.00 0.65 N ATOM 1766 CA GLU A 110 8.234 -9.199 -0.924 1.00 0.64 C ATOM 1767 C GLU A 110 7.412 -7.952 -1.221 1.00 0.59 C ATOM 1768 O GLU A 110 7.308 -7.519 -2.368 1.00 0.58 O ATOM 1769 CB GLU A 110 7.324 -10.441 -0.973 1.00 0.68 C ATOM 1770 CG GLU A 110 6.046 -10.326 -0.139 1.00 0.67 C ATOM 1771 CD GLU A 110 5.133 -11.519 -0.302 1.00 0.72 C ATOM 1772 OE1 GLU A 110 4.467 -11.619 -1.351 1.00 0.72 O ATOM 1773 OE2 GLU A 110 5.083 -12.362 0.619 1.00 0.84 O ATOM 0 H GLU A 110 8.560 -9.702 1.095 1.00 0.65 H new ATOM 0 HA GLU A 110 9.010 -9.316 -1.681 1.00 0.64 H new ATOM 0 HB2 GLU A 110 7.050 -10.634 -2.010 1.00 0.68 H new ATOM 0 HB3 GLU A 110 7.891 -11.305 -0.628 1.00 0.68 H new ATOM 0 HG2 GLU A 110 6.312 -10.218 0.913 1.00 0.67 H new ATOM 0 HG3 GLU A 110 5.510 -9.422 -0.426 1.00 0.67 H new ATOM 1780 N ILE A 111 6.849 -7.365 -0.175 1.00 0.57 N ATOM 1781 CA ILE A 111 6.012 -6.188 -0.334 1.00 0.54 C ATOM 1782 C ILE A 111 6.874 -4.942 -0.415 1.00 0.48 C ATOM 1783 O ILE A 111 6.618 -4.058 -1.232 1.00 0.46 O ATOM 1784 CB ILE A 111 4.989 -6.064 0.810 1.00 0.58 C ATOM 1785 CG1 ILE A 111 4.225 -7.375 0.978 1.00 0.69 C ATOM 1786 CG2 ILE A 111 4.019 -4.933 0.519 1.00 0.56 C ATOM 1787 CD1 ILE A 111 3.161 -7.321 2.048 1.00 0.74 C ATOM 0 H ILE A 111 6.957 -7.684 0.788 1.00 0.57 H new ATOM 0 HA ILE A 111 5.454 -6.295 -1.264 1.00 0.54 H new ATOM 0 HB ILE A 111 5.522 -5.846 1.735 1.00 0.58 H new ATOM 0 HG12 ILE A 111 3.760 -7.639 0.028 1.00 0.69 H new ATOM 0 HG13 ILE A 111 4.931 -8.169 1.219 1.00 0.69 H new ATOM 0 HG21 ILE A 111 3.299 -4.853 1.333 1.00 0.56 H new ATOM 0 HG22 ILE A 111 4.569 -3.996 0.427 1.00 0.56 H new ATOM 0 HG23 ILE A 111 3.491 -5.137 -0.413 1.00 0.56 H new ATOM 0 HD11 ILE A 111 2.659 -8.287 2.111 1.00 0.74 H new ATOM 0 HD12 ILE A 111 3.622 -7.088 3.008 1.00 0.74 H new ATOM 0 HD13 ILE A 111 2.433 -6.550 1.798 1.00 0.74 H new ATOM 1799 N ARG A 112 7.921 -4.879 0.400 1.00 0.48 N ATOM 1800 CA ARG A 112 8.857 -3.771 0.305 1.00 0.46 C ATOM 1801 C ARG A 112 9.582 -3.861 -1.026 1.00 0.47 C ATOM 1802 O ARG A 112 9.871 -2.846 -1.661 1.00 0.47 O ATOM 1803 CB ARG A 112 9.845 -3.747 1.491 1.00 0.48 C ATOM 1804 CG ARG A 112 11.063 -4.665 1.375 1.00 0.51 C ATOM 1805 CD ARG A 112 12.166 -4.042 0.523 1.00 0.50 C ATOM 1806 NE ARG A 112 13.409 -4.808 0.580 1.00 0.56 N ATOM 1807 CZ ARG A 112 14.623 -4.261 0.522 1.00 0.62 C ATOM 1808 NH1 ARG A 112 14.771 -2.941 0.562 1.00 0.64 N ATOM 1809 NH2 ARG A 112 15.692 -5.043 0.466 1.00 0.72 N ATOM 0 H ARG A 112 8.139 -5.568 1.120 1.00 0.48 H new ATOM 0 HA ARG A 112 8.305 -2.832 0.355 1.00 0.46 H new ATOM 0 HB2 ARG A 112 10.198 -2.724 1.622 1.00 0.48 H new ATOM 0 HB3 ARG A 112 9.300 -4.014 2.396 1.00 0.48 H new ATOM 0 HG2 ARG A 112 11.451 -4.881 2.370 1.00 0.51 H new ATOM 0 HG3 ARG A 112 10.760 -5.616 0.938 1.00 0.51 H new ATOM 0 HD2 ARG A 112 11.829 -3.976 -0.512 1.00 0.50 H new ATOM 0 HD3 ARG A 112 12.353 -3.023 0.863 1.00 0.50 H new ATOM 0 HE ARG A 112 13.344 -5.822 0.670 1.00 0.56 H new ATOM 0 HH11 ARG A 112 13.952 -2.338 0.638 1.00 0.64 H new ATOM 0 HH12 ARG A 112 15.704 -2.531 0.517 1.00 0.64 H new ATOM 0 HH21 ARG A 112 15.583 -6.057 0.467 1.00 0.72 H new ATOM 0 HH22 ARG A 112 16.624 -4.631 0.421 1.00 0.72 H new ATOM 1823 N ASP A 113 9.856 -5.088 -1.457 1.00 0.50 N ATOM 1824 CA ASP A 113 10.512 -5.296 -2.724 1.00 0.53 C ATOM 1825 C ASP A 113 9.634 -4.752 -3.828 1.00 0.54 C ATOM 1826 O ASP A 113 10.061 -3.915 -4.614 1.00 0.59 O ATOM 1827 CB ASP A 113 10.816 -6.775 -2.981 1.00 0.58 C ATOM 1828 CG ASP A 113 11.452 -7.000 -4.340 1.00 0.67 C ATOM 1829 OD1 ASP A 113 12.611 -6.564 -4.538 1.00 0.77 O ATOM 1830 OD2 ASP A 113 10.805 -7.611 -5.209 1.00 0.78 O ATOM 0 H ASP A 113 9.632 -5.942 -0.945 1.00 0.50 H new ATOM 0 HA ASP A 113 11.466 -4.770 -2.702 1.00 0.53 H new ATOM 0 HB2 ASP A 113 11.482 -7.148 -2.203 1.00 0.58 H new ATOM 0 HB3 ASP A 113 9.893 -7.351 -2.913 1.00 0.58 H new ATOM 1835 N ALA A 114 8.384 -5.201 -3.837 1.00 0.54 N ATOM 1836 CA ALA A 114 7.412 -4.771 -4.830 1.00 0.57 C ATOM 1837 C ALA A 114 7.327 -3.254 -4.919 1.00 0.52 C ATOM 1838 O ALA A 114 7.363 -2.685 -6.012 1.00 0.57 O ATOM 1839 CB ALA A 114 6.041 -5.355 -4.517 1.00 0.59 C ATOM 0 H ALA A 114 8.019 -5.870 -3.159 1.00 0.54 H new ATOM 0 HA ALA A 114 7.748 -5.142 -5.798 1.00 0.57 H new ATOM 0 HB1 ALA A 114 5.324 -5.024 -5.269 1.00 0.59 H new ATOM 0 HB2 ALA A 114 6.099 -6.443 -4.525 1.00 0.59 H new ATOM 0 HB3 ALA A 114 5.717 -5.016 -3.533 1.00 0.59 H new ATOM 1845 N VAL A 115 7.251 -2.592 -3.772 1.00 0.46 N ATOM 1846 CA VAL A 115 7.028 -1.160 -3.771 1.00 0.41 C ATOM 1847 C VAL A 115 8.228 -0.372 -4.328 1.00 0.45 C ATOM 1848 O VAL A 115 8.047 0.491 -5.187 1.00 0.47 O ATOM 1849 CB VAL A 115 6.624 -0.614 -2.386 1.00 0.34 C ATOM 1850 CG1 VAL A 115 5.345 -1.280 -1.911 1.00 0.36 C ATOM 1851 CG2 VAL A 115 7.727 -0.779 -1.353 1.00 0.37 C ATOM 0 H VAL A 115 7.339 -3.017 -2.849 1.00 0.46 H new ATOM 0 HA VAL A 115 6.184 -1.006 -4.444 1.00 0.41 H new ATOM 0 HB VAL A 115 6.452 0.456 -2.498 1.00 0.34 H new ATOM 0 HG11 VAL A 115 5.071 -0.886 -0.932 1.00 0.36 H new ATOM 0 HG12 VAL A 115 4.544 -1.077 -2.621 1.00 0.36 H new ATOM 0 HG13 VAL A 115 5.501 -2.356 -1.838 1.00 0.36 H new ATOM 0 HG21 VAL A 115 7.392 -0.379 -0.396 1.00 0.37 H new ATOM 0 HG22 VAL A 115 7.965 -1.837 -1.241 1.00 0.37 H new ATOM 0 HG23 VAL A 115 8.616 -0.240 -1.681 1.00 0.37 H new ATOM 1861 N LYS A 116 9.451 -0.679 -3.873 1.00 0.50 N ATOM 1862 CA LYS A 116 10.640 0.070 -4.318 1.00 0.59 C ATOM 1863 C LYS A 116 11.197 -0.483 -5.627 1.00 0.69 C ATOM 1864 O LYS A 116 12.113 0.091 -6.203 1.00 0.85 O ATOM 1865 CB LYS A 116 11.728 0.101 -3.225 1.00 0.76 C ATOM 1866 CG LYS A 116 12.182 -1.264 -2.727 1.00 1.16 C ATOM 1867 CD LYS A 116 13.205 -1.913 -3.647 1.00 0.92 C ATOM 1868 CE LYS A 116 12.852 -3.364 -3.895 1.00 0.80 C ATOM 1869 NZ LYS A 116 13.918 -4.108 -4.610 1.00 1.04 N ATOM 0 H LYS A 116 9.644 -1.428 -3.208 1.00 0.50 H new ATOM 0 HA LYS A 116 10.322 1.096 -4.502 1.00 0.59 H new ATOM 0 HB2 LYS A 116 12.595 0.636 -3.612 1.00 0.76 H new ATOM 0 HB3 LYS A 116 11.353 0.674 -2.377 1.00 0.76 H new ATOM 0 HG2 LYS A 116 12.611 -1.159 -1.730 1.00 1.16 H new ATOM 0 HG3 LYS A 116 11.316 -1.919 -2.634 1.00 1.16 H new ATOM 0 HD2 LYS A 116 13.243 -1.375 -4.594 1.00 0.92 H new ATOM 0 HD3 LYS A 116 14.198 -1.845 -3.202 1.00 0.92 H new ATOM 0 HE2 LYS A 116 12.654 -3.852 -2.941 1.00 0.80 H new ATOM 0 HE3 LYS A 116 11.931 -3.414 -4.475 1.00 0.80 H new ATOM 0 HZ1 LYS A 116 13.641 -5.106 -4.706 1.00 1.04 H new ATOM 0 HZ2 LYS A 116 14.056 -3.695 -5.554 1.00 1.04 H new ATOM 0 HZ3 LYS A 116 14.806 -4.046 -4.072 1.00 1.04 H new ATOM 1883 N LYS A 117 10.691 -1.618 -6.088 1.00 0.71 N ATOM 1884 CA LYS A 117 10.996 -2.045 -7.445 1.00 0.81 C ATOM 1885 C LYS A 117 10.004 -1.417 -8.418 1.00 0.79 C ATOM 1886 O LYS A 117 10.273 -1.318 -9.614 1.00 0.90 O ATOM 1887 CB LYS A 117 10.987 -3.572 -7.586 1.00 0.89 C ATOM 1888 CG LYS A 117 9.612 -4.204 -7.470 1.00 0.85 C ATOM 1889 CD LYS A 117 9.674 -5.704 -7.716 1.00 1.09 C ATOM 1890 CE LYS A 117 8.289 -6.332 -7.718 1.00 1.08 C ATOM 1891 NZ LYS A 117 7.445 -5.814 -8.827 1.00 1.48 N ATOM 0 H LYS A 117 10.084 -2.244 -5.559 1.00 0.71 H new ATOM 0 HA LYS A 117 12.005 -1.707 -7.681 1.00 0.81 H new ATOM 0 HB2 LYS A 117 11.415 -3.838 -8.552 1.00 0.89 H new ATOM 0 HB3 LYS A 117 11.636 -3.999 -6.821 1.00 0.89 H new ATOM 0 HG2 LYS A 117 9.203 -4.012 -6.478 1.00 0.85 H new ATOM 0 HG3 LYS A 117 8.935 -3.743 -8.189 1.00 0.85 H new ATOM 0 HD2 LYS A 117 10.162 -5.896 -8.672 1.00 1.09 H new ATOM 0 HD3 LYS A 117 10.285 -6.174 -6.946 1.00 1.09 H new ATOM 0 HE2 LYS A 117 8.382 -7.414 -7.808 1.00 1.08 H new ATOM 0 HE3 LYS A 117 7.799 -6.132 -6.765 1.00 1.08 H new ATOM 0 HZ1 LYS A 117 6.619 -6.433 -8.953 1.00 1.48 H new ATOM 0 HZ2 LYS A 117 7.124 -4.851 -8.599 1.00 1.48 H new ATOM 0 HZ3 LYS A 117 8.001 -5.794 -9.706 1.00 1.48 H new ATOM 1905 N TYR A 118 8.847 -1.008 -7.899 1.00 0.69 N ATOM 1906 CA TYR A 118 7.853 -0.317 -8.709 1.00 0.68 C ATOM 1907 C TYR A 118 8.218 1.156 -8.857 1.00 0.69 C ATOM 1908 O TYR A 118 8.540 1.622 -9.953 1.00 0.77 O ATOM 1909 CB TYR A 118 6.458 -0.453 -8.082 1.00 0.64 C ATOM 1910 CG TYR A 118 5.327 -0.225 -9.060 1.00 0.88 C ATOM 1911 CD1 TYR A 118 4.869 1.058 -9.329 1.00 1.48 C ATOM 1912 CD2 TYR A 118 4.717 -1.287 -9.710 1.00 1.04 C ATOM 1913 CE1 TYR A 118 3.835 1.274 -10.217 1.00 1.86 C ATOM 1914 CE2 TYR A 118 3.681 -1.078 -10.597 1.00 1.43 C ATOM 1915 CZ TYR A 118 3.257 0.182 -10.865 1.00 1.73 C ATOM 1916 OH TYR A 118 2.213 0.413 -11.731 1.00 2.21 O ATOM 0 H TYR A 118 8.578 -1.144 -6.924 1.00 0.69 H new ATOM 0 HA TYR A 118 7.838 -0.776 -9.697 1.00 0.68 H new ATOM 0 HB2 TYR A 118 6.359 -1.449 -7.651 1.00 0.64 H new ATOM 0 HB3 TYR A 118 6.367 0.259 -7.262 1.00 0.64 H new ATOM 0 HD1 TYR A 118 5.330 1.901 -8.835 1.00 1.48 H new ATOM 0 HD2 TYR A 118 5.058 -2.294 -9.519 1.00 1.04 H new ATOM 0 HE1 TYR A 118 3.478 2.275 -10.408 1.00 1.86 H new ATOM 0 HE2 TYR A 118 3.207 -1.920 -11.079 1.00 1.43 H new ATOM 0 HH TYR A 118 1.909 -0.438 -12.111 1.00 2.21 H new ATOM 1926 N LEU A 119 8.169 1.879 -7.749 1.00 0.66 N ATOM 1927 CA LEU A 119 8.527 3.289 -7.735 1.00 0.69 C ATOM 1928 C LEU A 119 9.648 3.515 -6.737 1.00 0.72 C ATOM 1929 O LEU A 119 9.402 3.823 -5.577 1.00 0.79 O ATOM 1930 CB LEU A 119 7.316 4.154 -7.379 1.00 0.71 C ATOM 1931 CG LEU A 119 6.126 4.032 -8.334 1.00 1.34 C ATOM 1932 CD1 LEU A 119 4.968 4.885 -7.854 1.00 2.00 C ATOM 1933 CD2 LEU A 119 6.528 4.431 -9.745 1.00 2.09 C ATOM 0 H LEU A 119 7.883 1.510 -6.842 1.00 0.66 H new ATOM 0 HA LEU A 119 8.865 3.577 -8.730 1.00 0.69 H new ATOM 0 HB2 LEU A 119 6.984 3.891 -6.375 1.00 0.71 H new ATOM 0 HB3 LEU A 119 7.631 5.197 -7.348 1.00 0.71 H new ATOM 0 HG LEU A 119 5.806 2.990 -8.348 1.00 1.34 H new ATOM 0 HD11 LEU A 119 4.131 4.785 -8.546 1.00 2.00 H new ATOM 0 HD12 LEU A 119 4.660 4.555 -6.862 1.00 2.00 H new ATOM 0 HD13 LEU A 119 5.279 5.929 -7.809 1.00 2.00 H new ATOM 0 HD21 LEU A 119 5.668 4.337 -10.408 1.00 2.09 H new ATOM 0 HD22 LEU A 119 6.876 5.464 -9.746 1.00 2.09 H new ATOM 0 HD23 LEU A 119 7.328 3.778 -10.094 1.00 2.09 H new ATOM 1945 N PRO A 120 10.897 3.334 -7.177 1.00 0.72 N ATOM 1946 CA PRO A 120 12.055 3.365 -6.289 1.00 0.75 C ATOM 1947 C PRO A 120 12.526 4.785 -5.950 1.00 0.77 C ATOM 1948 O PRO A 120 12.663 5.639 -6.834 1.00 0.92 O ATOM 1949 CB PRO A 120 13.118 2.641 -7.110 1.00 0.79 C ATOM 1950 CG PRO A 120 12.777 2.949 -8.527 1.00 0.78 C ATOM 1951 CD PRO A 120 11.279 3.074 -8.579 1.00 0.75 C ATOM 0 HA PRO A 120 11.835 2.915 -5.321 1.00 0.75 H new ATOM 0 HB2 PRO A 120 14.119 2.991 -6.859 1.00 0.79 H new ATOM 0 HB3 PRO A 120 13.100 1.567 -6.923 1.00 0.79 H new ATOM 0 HG2 PRO A 120 13.256 3.873 -8.851 1.00 0.78 H new ATOM 0 HG3 PRO A 120 13.125 2.159 -9.192 1.00 0.78 H new ATOM 0 HD2 PRO A 120 10.968 3.887 -9.235 1.00 0.75 H new ATOM 0 HD3 PRO A 120 10.815 2.163 -8.958 1.00 0.75 H new ATOM 1959 N LEU A 121 12.781 5.023 -4.675 1.00 0.70 N ATOM 1960 CA LEU A 121 13.311 6.295 -4.210 1.00 0.69 C ATOM 1961 C LEU A 121 14.718 6.113 -3.679 1.00 0.82 C ATOM 1962 O LEU A 121 15.692 6.607 -4.249 1.00 1.00 O ATOM 1963 CB LEU A 121 12.410 6.826 -3.104 1.00 0.55 C ATOM 1964 CG LEU A 121 13.008 7.869 -2.169 1.00 0.58 C ATOM 1965 CD1 LEU A 121 13.336 9.147 -2.913 1.00 1.23 C ATOM 1966 CD2 LEU A 121 12.049 8.128 -1.021 1.00 1.25 C ATOM 0 H LEU A 121 12.627 4.341 -3.933 1.00 0.70 H new ATOM 0 HA LEU A 121 13.341 7.002 -5.039 1.00 0.69 H new ATOM 0 HB2 LEU A 121 11.522 7.255 -3.567 1.00 0.55 H new ATOM 0 HB3 LEU A 121 12.078 5.980 -2.501 1.00 0.55 H new ATOM 0 HG LEU A 121 13.945 7.487 -1.764 1.00 0.58 H new ATOM 0 HD11 LEU A 121 13.761 9.873 -2.220 1.00 1.23 H new ATOM 0 HD12 LEU A 121 14.057 8.934 -3.702 1.00 1.23 H new ATOM 0 HD13 LEU A 121 12.426 9.556 -3.353 1.00 1.23 H new ATOM 0 HD21 LEU A 121 12.476 8.874 -0.351 1.00 1.25 H new ATOM 0 HD22 LEU A 121 11.101 8.494 -1.415 1.00 1.25 H new ATOM 0 HD23 LEU A 121 11.880 7.202 -0.472 1.00 1.25 H new