USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 739 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 72 ASN :FLIP amide:sc= 0.122 F(o=-4.8,f=-2.5) USER MOD Set 1.2: A 87 GLN : amide:sc= -2.62 K(o=-2.5,f=-5.7!) USER MOD Set 2.1: A 6 CYS SG : rot 20:sc= 2.4 USER MOD Set 2.2: A 26 GLN : amide:sc= 1.25 K(o=3.6,f=-0.71) USER MOD Single : A 8 LYS NZ :NH3+ 172:sc= 1.2 (180deg=1.12) USER MOD Single : A 23 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00195) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 40 ASN : amide:sc= 0.199 K(o=0.2,f=-2.7!) USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.11) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN :FLIP amide:sc= 0.153 F(o=-1.1,f=0.15) USER MOD Single : A 51 LYS NZ :NH3+ -167:sc=-0.00691 (180deg=-0.197) USER MOD Single : A 59 GLN :FLIP amide:sc= -1.15 F(o=-3.9!,f=-1.2) USER MOD Single : A 62 SER OG : rot -151:sc= 0.447 USER MOD Single : A 84 TYR OH : rot -107:sc= -3.62! USER MOD Single : A 85 GLN : amide:sc= -3.01! C(o=-3!,f=-2.6!) USER MOD Single : A 89 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.29) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -44:sc= 0.322 USER MOD ----------------------------------------------------------------- ATOM 48 N LEU A 5 16.257 -1.353 3.188 1.00 0.43 N ATOM 49 CA LEU A 5 15.264 -0.707 4.030 1.00 0.45 C ATOM 50 C LEU A 5 14.064 -1.624 4.239 1.00 0.37 C ATOM 51 O LEU A 5 13.828 -2.529 3.445 1.00 0.42 O ATOM 52 CB LEU A 5 14.833 0.611 3.378 1.00 0.52 C ATOM 53 CG LEU A 5 14.293 0.488 1.947 1.00 0.60 C ATOM 54 CD1 LEU A 5 12.807 0.190 1.958 1.00 1.28 C ATOM 55 CD2 LEU A 5 14.579 1.748 1.149 1.00 1.27 C ATOM 0 HA LEU A 5 15.698 -0.498 5.008 1.00 0.45 H new ATOM 0 HB2 LEU A 5 14.065 1.071 4.000 1.00 0.52 H new ATOM 0 HB3 LEU A 5 15.686 1.289 3.370 1.00 0.52 H new ATOM 0 HG LEU A 5 14.806 -0.343 1.464 1.00 0.60 H new ATOM 0 HD11 LEU A 5 12.445 0.107 0.933 1.00 1.28 H new ATOM 0 HD12 LEU A 5 12.628 -0.748 2.483 1.00 1.28 H new ATOM 0 HD13 LEU A 5 12.278 0.997 2.465 1.00 1.28 H new ATOM 0 HD21 LEU A 5 14.186 1.636 0.138 1.00 1.27 H new ATOM 0 HD22 LEU A 5 14.101 2.601 1.631 1.00 1.27 H new ATOM 0 HD23 LEU A 5 15.655 1.914 1.104 1.00 1.27 H new ATOM 67 N CYS A 6 13.313 -1.401 5.305 1.00 0.34 N ATOM 68 CA CYS A 6 12.111 -2.185 5.560 1.00 0.31 C ATOM 69 C CYS A 6 10.908 -1.261 5.699 1.00 0.24 C ATOM 70 O CYS A 6 10.999 -0.200 6.320 1.00 0.27 O ATOM 71 CB CYS A 6 12.280 -3.038 6.818 1.00 0.40 C ATOM 72 SG CYS A 6 10.916 -4.188 7.125 1.00 1.35 S ATOM 0 H CYS A 6 13.511 -0.687 6.006 1.00 0.34 H new ATOM 0 HA CYS A 6 11.945 -2.855 4.716 1.00 0.31 H new ATOM 0 HB2 CYS A 6 13.207 -3.605 6.737 1.00 0.40 H new ATOM 0 HB3 CYS A 6 12.385 -2.378 7.679 1.00 0.40 H new ATOM 0 HG CYS A 6 10.256 -4.383 6.022 1.00 1.35 H new ATOM 78 N VAL A 7 9.785 -1.662 5.115 1.00 0.24 N ATOM 79 CA VAL A 7 8.594 -0.824 5.099 1.00 0.25 C ATOM 80 C VAL A 7 7.387 -1.563 5.675 1.00 0.25 C ATOM 81 O VAL A 7 7.342 -2.799 5.688 1.00 0.31 O ATOM 82 CB VAL A 7 8.274 -0.336 3.667 1.00 0.28 C ATOM 83 CG1 VAL A 7 9.444 0.443 3.097 1.00 0.64 C ATOM 84 CG2 VAL A 7 7.911 -1.498 2.756 1.00 0.61 C ATOM 0 H VAL A 7 9.675 -2.562 4.647 1.00 0.24 H new ATOM 0 HA VAL A 7 8.803 0.043 5.726 1.00 0.25 H new ATOM 0 HB VAL A 7 7.410 0.326 3.724 1.00 0.28 H new ATOM 0 HG11 VAL A 7 9.201 0.779 2.089 1.00 0.64 H new ATOM 0 HG12 VAL A 7 9.647 1.308 3.728 1.00 0.64 H new ATOM 0 HG13 VAL A 7 10.326 -0.197 3.064 1.00 0.64 H new ATOM 0 HG21 VAL A 7 7.691 -1.122 1.757 1.00 0.61 H new ATOM 0 HG22 VAL A 7 8.747 -2.196 2.706 1.00 0.61 H new ATOM 0 HG23 VAL A 7 7.034 -2.010 3.152 1.00 0.61 H new ATOM 94 N LYS A 8 6.414 -0.798 6.153 1.00 0.26 N ATOM 95 CA LYS A 8 5.217 -1.360 6.764 1.00 0.28 C ATOM 96 C LYS A 8 3.982 -1.069 5.917 1.00 0.28 C ATOM 97 O LYS A 8 3.706 0.080 5.593 1.00 0.38 O ATOM 98 CB LYS A 8 5.016 -0.788 8.175 1.00 0.35 C ATOM 99 CG LYS A 8 3.719 -1.238 8.841 1.00 0.61 C ATOM 100 CD LYS A 8 3.599 -0.710 10.263 1.00 0.86 C ATOM 101 CE LYS A 8 3.415 0.804 10.309 1.00 1.08 C ATOM 102 NZ LYS A 8 2.054 1.230 9.871 1.00 1.61 N ATOM 0 H LYS A 8 6.432 0.222 6.129 1.00 0.26 H new ATOM 0 HA LYS A 8 5.352 -2.440 6.828 1.00 0.28 H new ATOM 0 HB2 LYS A 8 5.857 -1.085 8.801 1.00 0.35 H new ATOM 0 HB3 LYS A 8 5.028 0.301 8.121 1.00 0.35 H new ATOM 0 HG2 LYS A 8 2.869 -0.892 8.252 1.00 0.61 H new ATOM 0 HG3 LYS A 8 3.676 -2.327 8.853 1.00 0.61 H new ATOM 0 HD2 LYS A 8 2.754 -1.191 10.756 1.00 0.86 H new ATOM 0 HD3 LYS A 8 4.493 -0.982 10.825 1.00 0.86 H new ATOM 0 HE2 LYS A 8 3.593 1.157 11.325 1.00 1.08 H new ATOM 0 HE3 LYS A 8 4.162 1.277 9.672 1.00 1.08 H new ATOM 0 HZ1 LYS A 8 1.935 2.248 10.048 1.00 1.61 H new ATOM 0 HZ2 LYS A 8 1.941 1.040 8.855 1.00 1.61 H new ATOM 0 HZ3 LYS A 8 1.336 0.700 10.404 1.00 1.61 H new ATOM 116 N VAL A 9 3.247 -2.117 5.571 1.00 0.25 N ATOM 117 CA VAL A 9 1.973 -1.977 4.877 1.00 0.26 C ATOM 118 C VAL A 9 0.846 -2.320 5.842 1.00 0.23 C ATOM 119 O VAL A 9 0.850 -3.394 6.432 1.00 0.27 O ATOM 120 CB VAL A 9 1.898 -2.912 3.651 1.00 0.30 C ATOM 121 CG1 VAL A 9 0.505 -2.890 3.042 1.00 0.89 C ATOM 122 CG2 VAL A 9 2.943 -2.527 2.616 1.00 0.77 C ATOM 0 H VAL A 9 3.514 -3.083 5.762 1.00 0.25 H new ATOM 0 HA VAL A 9 1.878 -0.949 4.527 1.00 0.26 H new ATOM 0 HB VAL A 9 2.108 -3.928 3.985 1.00 0.30 H new ATOM 0 HG11 VAL A 9 0.474 -3.556 2.179 1.00 0.89 H new ATOM 0 HG12 VAL A 9 -0.221 -3.223 3.783 1.00 0.89 H new ATOM 0 HG13 VAL A 9 0.262 -1.875 2.726 1.00 0.89 H new ATOM 0 HG21 VAL A 9 2.873 -3.199 1.760 1.00 0.77 H new ATOM 0 HG22 VAL A 9 2.770 -1.502 2.288 1.00 0.77 H new ATOM 0 HG23 VAL A 9 3.937 -2.604 3.057 1.00 0.77 H new ATOM 132 N GLU A 10 -0.093 -1.408 6.034 1.00 0.21 N ATOM 133 CA GLU A 10 -1.122 -1.602 7.046 1.00 0.23 C ATOM 134 C GLU A 10 -2.468 -1.013 6.609 1.00 0.25 C ATOM 135 O GLU A 10 -2.520 -0.107 5.772 1.00 0.26 O ATOM 136 CB GLU A 10 -0.625 -0.978 8.354 1.00 0.28 C ATOM 137 CG GLU A 10 -1.579 -1.061 9.528 1.00 0.37 C ATOM 138 CD GLU A 10 -0.918 -0.595 10.806 1.00 0.48 C ATOM 139 OE1 GLU A 10 -0.376 0.527 10.827 1.00 1.08 O ATOM 140 OE2 GLU A 10 -0.979 -1.330 11.814 1.00 0.99 O ATOM 0 H GLU A 10 -0.166 -0.536 5.510 1.00 0.21 H new ATOM 0 HA GLU A 10 -1.298 -2.668 7.192 1.00 0.23 H new ATOM 0 HB2 GLU A 10 0.310 -1.464 8.634 1.00 0.28 H new ATOM 0 HB3 GLU A 10 -0.396 0.072 8.170 1.00 0.28 H new ATOM 0 HG2 GLU A 10 -2.460 -0.451 9.328 1.00 0.37 H new ATOM 0 HG3 GLU A 10 -1.924 -2.088 9.648 1.00 0.37 H new ATOM 147 N PHE A 11 -3.550 -1.548 7.176 1.00 0.30 N ATOM 148 CA PHE A 11 -4.901 -1.066 6.894 1.00 0.34 C ATOM 149 C PHE A 11 -5.205 0.157 7.751 1.00 0.34 C ATOM 150 O PHE A 11 -4.623 0.332 8.820 1.00 0.74 O ATOM 151 CB PHE A 11 -5.951 -2.158 7.185 1.00 0.74 C ATOM 152 CG PHE A 11 -6.759 -1.905 8.437 1.00 2.12 C ATOM 153 CD1 PHE A 11 -6.217 -2.129 9.693 1.00 2.77 C ATOM 154 CD2 PHE A 11 -8.056 -1.419 8.354 1.00 2.89 C ATOM 155 CE1 PHE A 11 -6.952 -1.877 10.836 1.00 4.09 C ATOM 156 CE2 PHE A 11 -8.793 -1.165 9.493 1.00 4.21 C ATOM 157 CZ PHE A 11 -8.240 -1.394 10.736 1.00 4.80 C ATOM 0 H PHE A 11 -3.515 -2.322 7.839 1.00 0.30 H new ATOM 0 HA PHE A 11 -4.950 -0.803 5.837 1.00 0.34 H new ATOM 0 HB2 PHE A 11 -6.629 -2.234 6.335 1.00 0.74 H new ATOM 0 HB3 PHE A 11 -5.446 -3.120 7.277 1.00 0.74 H new ATOM 0 HD1 PHE A 11 -5.208 -2.505 9.779 1.00 2.77 H new ATOM 0 HD2 PHE A 11 -8.495 -1.237 7.384 1.00 2.89 H new ATOM 0 HE1 PHE A 11 -6.518 -2.058 11.808 1.00 4.09 H new ATOM 0 HE2 PHE A 11 -9.802 -0.787 9.411 1.00 4.21 H new ATOM 0 HZ PHE A 11 -8.814 -1.195 11.629 1.00 4.80 H new ATOM 167 N GLY A 12 -6.117 0.993 7.282 1.00 0.23 N ATOM 168 CA GLY A 12 -6.549 2.125 8.073 1.00 0.39 C ATOM 169 C GLY A 12 -8.049 2.335 8.001 1.00 0.28 C ATOM 170 O GLY A 12 -8.760 2.166 8.990 1.00 0.34 O ATOM 0 H GLY A 12 -6.565 0.909 6.370 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -6.254 1.974 9.112 1.00 0.39 H new ATOM 0 HA3 GLY A 12 -6.041 3.024 7.725 1.00 0.39 H new ATOM 174 N GLY A 13 -8.530 2.670 6.811 1.00 0.24 N ATOM 175 CA GLY A 13 -9.942 2.970 6.627 1.00 0.26 C ATOM 176 C GLY A 13 -10.784 1.731 6.406 1.00 0.29 C ATOM 177 O GLY A 13 -11.378 1.575 5.344 1.00 0.45 O ATOM 0 H GLY A 13 -7.966 2.740 5.964 1.00 0.24 H new ATOM 0 HA2 GLY A 13 -10.312 3.503 7.503 1.00 0.26 H new ATOM 0 HA3 GLY A 13 -10.058 3.639 5.774 1.00 0.26 H new ATOM 181 N GLY A 14 -10.817 0.840 7.394 1.00 0.28 N ATOM 182 CA GLY A 14 -11.617 -0.371 7.285 1.00 0.35 C ATOM 183 C GLY A 14 -11.142 -1.266 6.164 1.00 0.36 C ATOM 184 O GLY A 14 -11.874 -2.132 5.688 1.00 0.41 O ATOM 0 H GLY A 14 -10.303 0.934 8.270 1.00 0.28 H new ATOM 0 HA2 GLY A 14 -11.577 -0.918 8.227 1.00 0.35 H new ATOM 0 HA3 GLY A 14 -12.660 -0.102 7.117 1.00 0.35 H new ATOM 188 N ALA A 15 -9.901 -1.057 5.755 1.00 0.35 N ATOM 189 CA ALA A 15 -9.338 -1.748 4.611 1.00 0.39 C ATOM 190 C ALA A 15 -9.164 -3.240 4.884 1.00 0.39 C ATOM 191 O ALA A 15 -9.238 -4.052 3.966 1.00 0.42 O ATOM 192 CB ALA A 15 -8.013 -1.103 4.222 1.00 0.44 C ATOM 0 H ALA A 15 -9.259 -0.405 6.206 1.00 0.35 H new ATOM 0 HA ALA A 15 -10.034 -1.657 3.777 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -7.593 -1.625 3.362 1.00 0.44 H new ATOM 0 HB2 ALA A 15 -8.179 -0.057 3.966 1.00 0.44 H new ATOM 0 HB3 ALA A 15 -7.318 -1.166 5.059 1.00 0.44 H new ATOM 198 N GLU A 16 -8.960 -3.603 6.148 1.00 0.38 N ATOM 199 CA GLU A 16 -8.734 -5.003 6.508 1.00 0.38 C ATOM 200 C GLU A 16 -9.959 -5.852 6.223 1.00 0.36 C ATOM 201 O GLU A 16 -9.839 -7.042 5.954 1.00 0.37 O ATOM 202 CB GLU A 16 -8.350 -5.152 7.984 1.00 0.45 C ATOM 203 CG GLU A 16 -9.473 -4.780 8.947 1.00 0.57 C ATOM 204 CD GLU A 16 -9.193 -5.174 10.382 1.00 1.19 C ATOM 205 OE1 GLU A 16 -9.079 -6.383 10.665 1.00 1.54 O ATOM 206 OE2 GLU A 16 -9.118 -4.277 11.241 1.00 1.60 O ATOM 0 H GLU A 16 -8.946 -2.954 6.935 1.00 0.38 H new ATOM 0 HA GLU A 16 -7.906 -5.353 5.892 1.00 0.38 H new ATOM 0 HB2 GLU A 16 -8.049 -6.183 8.170 1.00 0.45 H new ATOM 0 HB3 GLU A 16 -7.483 -4.525 8.190 1.00 0.45 H new ATOM 0 HG2 GLU A 16 -9.640 -3.704 8.900 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -10.395 -5.260 8.620 1.00 0.57 H new ATOM 213 N LEU A 17 -11.132 -5.239 6.283 1.00 0.35 N ATOM 214 CA LEU A 17 -12.377 -5.954 6.051 1.00 0.37 C ATOM 215 C LEU A 17 -12.451 -6.438 4.609 1.00 0.36 C ATOM 216 O LEU A 17 -13.214 -7.345 4.280 1.00 0.41 O ATOM 217 CB LEU A 17 -13.573 -5.055 6.370 1.00 0.39 C ATOM 218 CG LEU A 17 -13.620 -4.509 7.799 1.00 0.41 C ATOM 219 CD1 LEU A 17 -14.837 -3.616 7.987 1.00 0.88 C ATOM 220 CD2 LEU A 17 -13.630 -5.648 8.810 1.00 0.83 C ATOM 0 H LEU A 17 -11.247 -4.247 6.491 1.00 0.35 H new ATOM 0 HA LEU A 17 -12.406 -6.821 6.710 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -13.568 -4.213 5.677 1.00 0.39 H new ATOM 0 HB3 LEU A 17 -14.488 -5.617 6.183 1.00 0.39 H new ATOM 0 HG LEU A 17 -12.724 -3.911 7.968 1.00 0.41 H new ATOM 0 HD11 LEU A 17 -14.855 -3.236 9.009 1.00 0.88 H new ATOM 0 HD12 LEU A 17 -14.786 -2.780 7.290 1.00 0.88 H new ATOM 0 HD13 LEU A 17 -15.743 -4.191 7.798 1.00 0.88 H new ATOM 0 HD21 LEU A 17 -13.664 -5.238 9.819 1.00 0.83 H new ATOM 0 HD22 LEU A 17 -14.506 -6.275 8.643 1.00 0.83 H new ATOM 0 HD23 LEU A 17 -12.727 -6.248 8.692 1.00 0.83 H new ATOM 232 N LEU A 18 -11.632 -5.840 3.757 1.00 0.35 N ATOM 233 CA LEU A 18 -11.542 -6.246 2.365 1.00 0.39 C ATOM 234 C LEU A 18 -10.658 -7.478 2.269 1.00 0.42 C ATOM 235 O LEU A 18 -10.747 -8.261 1.323 1.00 0.49 O ATOM 236 CB LEU A 18 -10.935 -5.124 1.521 1.00 0.38 C ATOM 237 CG LEU A 18 -11.633 -3.765 1.627 1.00 0.42 C ATOM 238 CD1 LEU A 18 -10.720 -2.659 1.123 1.00 0.47 C ATOM 239 CD2 LEU A 18 -12.929 -3.772 0.835 1.00 0.49 C ATOM 0 H LEU A 18 -11.017 -5.067 4.009 1.00 0.35 H new ATOM 0 HA LEU A 18 -12.542 -6.466 1.991 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -9.891 -5.000 1.810 1.00 0.38 H new ATOM 0 HB3 LEU A 18 -10.941 -5.435 0.476 1.00 0.38 H new ATOM 0 HG LEU A 18 -11.864 -3.578 2.676 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -11.231 -1.700 1.205 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -9.810 -2.638 1.722 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -10.464 -2.846 0.080 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -13.413 -2.799 0.921 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -12.714 -3.979 -0.213 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -13.592 -4.543 1.229 1.00 0.49 H new ATOM 251 N PHE A 19 -9.816 -7.640 3.283 1.00 0.39 N ATOM 252 CA PHE A 19 -8.803 -8.681 3.294 1.00 0.47 C ATOM 253 C PHE A 19 -9.149 -9.759 4.314 1.00 0.60 C ATOM 254 O PHE A 19 -8.266 -10.487 4.771 1.00 0.97 O ATOM 255 CB PHE A 19 -7.444 -8.074 3.646 1.00 0.45 C ATOM 256 CG PHE A 19 -7.158 -6.762 2.972 1.00 0.43 C ATOM 257 CD1 PHE A 19 -7.485 -6.564 1.644 1.00 0.42 C ATOM 258 CD2 PHE A 19 -6.549 -5.731 3.670 1.00 0.71 C ATOM 259 CE1 PHE A 19 -7.218 -5.368 1.022 1.00 0.52 C ATOM 260 CE2 PHE A 19 -6.279 -4.526 3.053 1.00 0.75 C ATOM 261 CZ PHE A 19 -6.614 -4.344 1.726 1.00 0.59 C ATOM 0 H PHE A 19 -9.819 -7.053 4.117 1.00 0.39 H new ATOM 0 HA PHE A 19 -8.763 -9.132 2.303 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -7.391 -7.933 4.726 1.00 0.45 H new ATOM 0 HB3 PHE A 19 -6.662 -8.784 3.378 1.00 0.45 H new ATOM 0 HD1 PHE A 19 -7.957 -7.360 1.087 1.00 0.42 H new ATOM 0 HD2 PHE A 19 -6.283 -5.872 4.707 1.00 0.71 H new ATOM 0 HE1 PHE A 19 -7.480 -5.229 -0.016 1.00 0.52 H new ATOM 0 HE2 PHE A 19 -5.807 -3.728 3.607 1.00 0.75 H new ATOM 0 HZ PHE A 19 -6.404 -3.403 1.239 1.00 0.59 H new ATOM 271 N ASP A 20 -10.433 -9.828 4.681 1.00 0.55 N ATOM 272 CA ASP A 20 -10.951 -10.834 5.624 1.00 0.69 C ATOM 273 C ASP A 20 -10.672 -10.441 7.080 1.00 0.72 C ATOM 274 O ASP A 20 -11.283 -10.978 8.005 1.00 1.07 O ATOM 275 CB ASP A 20 -10.366 -12.222 5.322 1.00 0.80 C ATOM 276 CG ASP A 20 -10.973 -13.327 6.163 1.00 1.16 C ATOM 277 OD1 ASP A 20 -12.037 -13.859 5.781 1.00 1.55 O ATOM 278 OD2 ASP A 20 -10.408 -13.644 7.231 1.00 1.28 O ATOM 0 H ASP A 20 -11.147 -9.188 4.333 1.00 0.55 H new ATOM 0 HA ASP A 20 -12.032 -10.876 5.491 1.00 0.69 H new ATOM 0 HB2 ASP A 20 -10.520 -12.452 4.268 1.00 0.80 H new ATOM 0 HB3 ASP A 20 -9.289 -12.198 5.489 1.00 0.80 H new ATOM 283 N GLY A 21 -9.784 -9.474 7.283 1.00 0.57 N ATOM 284 CA GLY A 21 -9.422 -9.071 8.633 1.00 0.59 C ATOM 285 C GLY A 21 -7.926 -9.126 8.912 1.00 0.59 C ATOM 286 O GLY A 21 -7.512 -9.349 10.050 1.00 0.79 O ATOM 0 H GLY A 21 -9.308 -8.962 6.540 1.00 0.57 H new ATOM 0 HA2 GLY A 21 -9.777 -8.055 8.806 1.00 0.59 H new ATOM 0 HA3 GLY A 21 -9.939 -9.715 9.345 1.00 0.59 H new ATOM 290 N VAL A 22 -7.110 -8.941 7.882 1.00 0.51 N ATOM 291 CA VAL A 22 -5.667 -8.810 8.068 1.00 0.53 C ATOM 292 C VAL A 22 -5.263 -7.347 7.878 1.00 0.45 C ATOM 293 O VAL A 22 -5.715 -6.691 6.939 1.00 0.47 O ATOM 294 CB VAL A 22 -4.874 -9.739 7.111 1.00 0.68 C ATOM 295 CG1 VAL A 22 -5.247 -9.497 5.659 1.00 1.02 C ATOM 296 CG2 VAL A 22 -3.373 -9.581 7.306 1.00 1.41 C ATOM 0 H VAL A 22 -7.419 -8.878 6.912 1.00 0.51 H new ATOM 0 HA VAL A 22 -5.419 -9.123 9.082 1.00 0.53 H new ATOM 0 HB VAL A 22 -5.147 -10.764 7.362 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -4.671 -10.166 5.019 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -6.311 -9.688 5.520 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -5.027 -8.463 5.394 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -2.845 -10.245 6.621 1.00 1.41 H new ATOM 0 HG22 VAL A 22 -3.086 -8.549 7.104 1.00 1.41 H new ATOM 0 HG23 VAL A 22 -3.111 -9.836 8.333 1.00 1.41 H new ATOM 306 N LYS A 23 -4.438 -6.826 8.783 1.00 0.48 N ATOM 307 CA LYS A 23 -4.188 -5.388 8.832 1.00 0.52 C ATOM 308 C LYS A 23 -2.757 -5.035 8.424 1.00 0.40 C ATOM 309 O LYS A 23 -2.505 -4.621 7.294 1.00 0.37 O ATOM 310 CB LYS A 23 -4.460 -4.848 10.240 1.00 0.75 C ATOM 311 CG LYS A 23 -5.478 -5.653 11.035 1.00 0.85 C ATOM 312 CD LYS A 23 -6.010 -4.872 12.231 1.00 1.06 C ATOM 313 CE LYS A 23 -4.900 -4.243 13.058 1.00 1.11 C ATOM 314 NZ LYS A 23 -3.977 -5.255 13.634 1.00 2.07 N ATOM 0 H LYS A 23 -3.937 -7.371 9.485 1.00 0.48 H new ATOM 0 HA LYS A 23 -4.867 -4.924 8.117 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -3.522 -4.823 10.794 1.00 0.75 H new ATOM 0 HB3 LYS A 23 -4.811 -3.819 10.160 1.00 0.75 H new ATOM 0 HG2 LYS A 23 -6.308 -5.932 10.385 1.00 0.85 H new ATOM 0 HG3 LYS A 23 -5.019 -6.579 11.381 1.00 0.85 H new ATOM 0 HD2 LYS A 23 -6.684 -4.091 11.880 1.00 1.06 H new ATOM 0 HD3 LYS A 23 -6.597 -5.538 12.864 1.00 1.06 H new ATOM 0 HE2 LYS A 23 -4.333 -3.552 12.434 1.00 1.11 H new ATOM 0 HE3 LYS A 23 -5.340 -3.656 13.864 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 -3.249 -4.777 14.202 1.00 2.07 H new ATOM 0 HZ2 LYS A 23 -4.513 -5.910 14.238 1.00 2.07 H new ATOM 0 HZ3 LYS A 23 -3.522 -5.787 12.865 1.00 2.07 H new ATOM 328 N LYS A 24 -1.836 -5.165 9.368 1.00 0.38 N ATOM 329 CA LYS A 24 -0.436 -4.855 9.133 1.00 0.33 C ATOM 330 C LYS A 24 0.313 -6.043 8.548 1.00 0.34 C ATOM 331 O LYS A 24 0.181 -7.177 9.008 1.00 0.47 O ATOM 332 CB LYS A 24 0.230 -4.417 10.441 1.00 0.43 C ATOM 333 CG LYS A 24 1.750 -4.340 10.368 1.00 0.49 C ATOM 334 CD LYS A 24 2.354 -4.079 11.734 1.00 0.66 C ATOM 335 CE LYS A 24 3.866 -4.245 11.727 1.00 1.04 C ATOM 336 NZ LYS A 24 4.447 -4.047 13.082 1.00 1.59 N ATOM 0 H LYS A 24 -2.038 -5.487 10.314 1.00 0.38 H new ATOM 0 HA LYS A 24 -0.394 -4.042 8.408 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -0.160 -3.440 10.725 1.00 0.43 H new ATOM 0 HB3 LYS A 24 -0.051 -5.114 11.231 1.00 0.43 H new ATOM 0 HG2 LYS A 24 2.145 -5.273 9.966 1.00 0.49 H new ATOM 0 HG3 LYS A 24 2.044 -3.547 9.680 1.00 0.49 H new ATOM 0 HD2 LYS A 24 2.101 -3.069 12.056 1.00 0.66 H new ATOM 0 HD3 LYS A 24 1.917 -4.764 12.461 1.00 0.66 H new ATOM 0 HE2 LYS A 24 4.121 -5.240 11.363 1.00 1.04 H new ATOM 0 HE3 LYS A 24 4.308 -3.529 11.033 1.00 1.04 H new ATOM 0 HZ1 LYS A 24 5.479 -4.168 13.038 1.00 1.59 H new ATOM 0 HZ2 LYS A 24 4.225 -3.088 13.418 1.00 1.59 H new ATOM 0 HZ3 LYS A 24 4.044 -4.746 13.738 1.00 1.59 H new ATOM 350 N HIS A 25 1.091 -5.755 7.522 1.00 0.29 N ATOM 351 CA HIS A 25 2.004 -6.710 6.936 1.00 0.34 C ATOM 352 C HIS A 25 3.379 -6.064 6.805 1.00 0.34 C ATOM 353 O HIS A 25 3.549 -5.093 6.067 1.00 0.43 O ATOM 354 CB HIS A 25 1.500 -7.157 5.559 1.00 0.42 C ATOM 355 CG HIS A 25 2.386 -8.171 4.891 1.00 0.69 C ATOM 356 ND1 HIS A 25 3.427 -7.830 4.049 1.00 1.46 N ATOM 357 CD2 HIS A 25 2.380 -9.523 4.946 1.00 1.39 C ATOM 358 CE1 HIS A 25 4.019 -8.930 3.617 1.00 1.58 C ATOM 359 NE2 HIS A 25 3.402 -9.968 4.146 1.00 1.44 N ATOM 0 H HIS A 25 1.105 -4.841 7.069 1.00 0.29 H new ATOM 0 HA HIS A 25 2.069 -7.589 7.578 1.00 0.34 H new ATOM 0 HB2 HIS A 25 0.500 -7.576 5.667 1.00 0.42 H new ATOM 0 HB3 HIS A 25 1.411 -6.283 4.913 1.00 0.42 H new ATOM 0 HD2 HIS A 25 1.697 -10.138 5.514 1.00 1.39 H new ATOM 0 HE1 HIS A 25 4.864 -8.971 2.945 1.00 1.58 H new ATOM 0 HE2 HIS A 25 3.645 -10.946 3.986 1.00 1.44 H new ATOM 368 N GLN A 26 4.350 -6.598 7.523 1.00 0.36 N ATOM 369 CA GLN A 26 5.703 -6.069 7.482 1.00 0.38 C ATOM 370 C GLN A 26 6.465 -6.743 6.350 1.00 0.33 C ATOM 371 O GLN A 26 6.440 -7.967 6.224 1.00 0.47 O ATOM 372 CB GLN A 26 6.409 -6.315 8.820 1.00 0.54 C ATOM 373 CG GLN A 26 7.706 -5.538 8.985 1.00 0.67 C ATOM 374 CD GLN A 26 7.473 -4.049 9.175 1.00 1.12 C ATOM 375 OE1 GLN A 26 6.459 -3.633 9.732 1.00 1.84 O ATOM 376 NE2 GLN A 26 8.416 -3.239 8.725 1.00 1.59 N ATOM 0 H GLN A 26 4.228 -7.399 8.143 1.00 0.36 H new ATOM 0 HA GLN A 26 5.669 -4.994 7.307 1.00 0.38 H new ATOM 0 HB2 GLN A 26 5.732 -6.048 9.631 1.00 0.54 H new ATOM 0 HB3 GLN A 26 6.620 -7.380 8.918 1.00 0.54 H new ATOM 0 HG2 GLN A 26 8.253 -5.929 9.843 1.00 0.67 H new ATOM 0 HG3 GLN A 26 8.334 -5.695 8.108 1.00 0.67 H new ATOM 0 HE21 GLN A 26 9.243 -3.623 8.268 1.00 1.59 H new ATOM 0 HE22 GLN A 26 8.316 -2.230 8.835 1.00 1.59 H new ATOM 385 N VAL A 27 7.116 -5.953 5.511 1.00 0.29 N ATOM 386 CA VAL A 27 7.851 -6.506 4.386 1.00 0.29 C ATOM 387 C VAL A 27 9.256 -5.909 4.308 1.00 0.28 C ATOM 388 O VAL A 27 9.454 -4.705 4.504 1.00 0.31 O ATOM 389 CB VAL A 27 7.084 -6.294 3.056 1.00 0.35 C ATOM 390 CG1 VAL A 27 6.912 -4.817 2.739 1.00 0.44 C ATOM 391 CG2 VAL A 27 7.774 -7.014 1.910 1.00 0.44 C ATOM 0 H VAL A 27 7.150 -4.936 5.586 1.00 0.29 H new ATOM 0 HA VAL A 27 7.947 -7.580 4.546 1.00 0.29 H new ATOM 0 HB VAL A 27 6.090 -6.723 3.181 1.00 0.35 H new ATOM 0 HG11 VAL A 27 6.370 -4.707 1.800 1.00 0.44 H new ATOM 0 HG12 VAL A 27 6.351 -4.336 3.540 1.00 0.44 H new ATOM 0 HG13 VAL A 27 7.892 -4.348 2.650 1.00 0.44 H new ATOM 0 HG21 VAL A 27 7.216 -6.849 0.988 1.00 0.44 H new ATOM 0 HG22 VAL A 27 8.787 -6.628 1.795 1.00 0.44 H new ATOM 0 HG23 VAL A 27 7.815 -8.082 2.123 1.00 0.44 H new ATOM 401 N ALA A 28 10.231 -6.769 4.064 1.00 0.31 N ATOM 402 CA ALA A 28 11.620 -6.357 3.988 1.00 0.33 C ATOM 403 C ALA A 28 12.068 -6.223 2.539 1.00 0.28 C ATOM 404 O ALA A 28 11.890 -7.138 1.741 1.00 0.29 O ATOM 405 CB ALA A 28 12.493 -7.360 4.723 1.00 0.41 C ATOM 0 H ALA A 28 10.082 -7.767 3.914 1.00 0.31 H new ATOM 0 HA ALA A 28 11.721 -5.381 4.462 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.535 -7.047 4.664 1.00 0.41 H new ATOM 0 HB2 ALA A 28 12.188 -7.410 5.768 1.00 0.41 H new ATOM 0 HB3 ALA A 28 12.383 -8.343 4.265 1.00 0.41 H new ATOM 411 N LEU A 29 12.655 -5.084 2.208 1.00 0.28 N ATOM 412 CA LEU A 29 13.104 -4.815 0.850 1.00 0.28 C ATOM 413 C LEU A 29 14.423 -5.520 0.560 1.00 0.32 C ATOM 414 O LEU A 29 15.328 -5.524 1.397 1.00 0.36 O ATOM 415 CB LEU A 29 13.286 -3.304 0.641 1.00 0.35 C ATOM 416 CG LEU A 29 12.036 -2.509 0.246 1.00 0.38 C ATOM 417 CD1 LEU A 29 11.727 -2.716 -1.223 1.00 1.13 C ATOM 418 CD2 LEU A 29 10.838 -2.892 1.099 1.00 1.04 C ATOM 0 H LEU A 29 12.833 -4.325 2.866 1.00 0.28 H new ATOM 0 HA LEU A 29 12.343 -5.193 0.167 1.00 0.28 H new ATOM 0 HB2 LEU A 29 13.683 -2.878 1.562 1.00 0.35 H new ATOM 0 HB3 LEU A 29 14.042 -3.156 -0.130 1.00 0.35 H new ATOM 0 HG LEU A 29 12.242 -1.453 0.421 1.00 0.38 H new ATOM 0 HD11 LEU A 29 10.837 -2.146 -1.491 1.00 1.13 H new ATOM 0 HD12 LEU A 29 12.571 -2.376 -1.824 1.00 1.13 H new ATOM 0 HD13 LEU A 29 11.551 -3.775 -1.412 1.00 1.13 H new ATOM 0 HD21 LEU A 29 9.970 -2.309 0.791 1.00 1.04 H new ATOM 0 HD22 LEU A 29 10.625 -3.953 0.972 1.00 1.04 H new ATOM 0 HD23 LEU A 29 11.058 -2.689 2.147 1.00 1.04 H new ATOM 430 N PRO A 30 14.538 -6.154 -0.613 1.00 0.38 N ATOM 431 CA PRO A 30 15.813 -6.624 -1.127 1.00 0.53 C ATOM 432 C PRO A 30 16.569 -5.466 -1.763 1.00 0.76 C ATOM 433 O PRO A 30 15.955 -4.544 -2.294 1.00 1.64 O ATOM 434 CB PRO A 30 15.439 -7.668 -2.182 1.00 0.52 C ATOM 435 CG PRO A 30 13.941 -7.732 -2.198 1.00 0.51 C ATOM 436 CD PRO A 30 13.443 -6.484 -1.524 1.00 0.41 C ATOM 0 HA PRO A 30 16.457 -7.038 -0.351 1.00 0.53 H new ATOM 0 HB2 PRO A 30 15.827 -7.387 -3.161 1.00 0.52 H new ATOM 0 HB3 PRO A 30 15.867 -8.640 -1.936 1.00 0.52 H new ATOM 0 HG2 PRO A 30 13.568 -7.794 -3.220 1.00 0.51 H new ATOM 0 HG3 PRO A 30 13.587 -8.621 -1.675 1.00 0.51 H new ATOM 0 HD2 PRO A 30 13.256 -5.684 -2.240 1.00 0.41 H new ATOM 0 HD3 PRO A 30 12.509 -6.657 -0.989 1.00 0.41 H new ATOM 483 N GLU A 34 14.671 -3.490 -5.379 1.00 0.54 N ATOM 484 CA GLU A 34 13.697 -3.058 -4.381 1.00 0.56 C ATOM 485 C GLU A 34 12.301 -3.047 -4.999 1.00 0.48 C ATOM 486 O GLU A 34 11.710 -1.995 -5.225 1.00 0.58 O ATOM 487 CB GLU A 34 14.083 -1.685 -3.820 1.00 0.72 C ATOM 488 CG GLU A 34 15.512 -1.657 -3.299 1.00 0.96 C ATOM 489 CD GLU A 34 15.993 -0.276 -2.914 1.00 1.55 C ATOM 490 OE1 GLU A 34 16.550 0.427 -3.779 1.00 2.31 O ATOM 491 OE2 GLU A 34 15.781 0.128 -1.753 1.00 1.97 O ATOM 0 HA GLU A 34 13.692 -3.759 -3.547 1.00 0.56 H new ATOM 0 HB2 GLU A 34 13.967 -0.931 -4.599 1.00 0.72 H new ATOM 0 HB3 GLU A 34 13.399 -1.419 -3.014 1.00 0.72 H new ATOM 0 HG2 GLU A 34 15.586 -2.312 -2.431 1.00 0.96 H new ATOM 0 HG3 GLU A 34 16.175 -2.063 -4.062 1.00 0.96 H new ATOM 498 N PRO A 35 11.759 -4.247 -5.278 1.00 0.41 N ATOM 499 CA PRO A 35 10.543 -4.413 -6.063 1.00 0.40 C ATOM 500 C PRO A 35 9.285 -4.389 -5.211 1.00 0.35 C ATOM 501 O PRO A 35 8.219 -4.844 -5.634 1.00 0.39 O ATOM 502 CB PRO A 35 10.743 -5.793 -6.673 1.00 0.48 C ATOM 503 CG PRO A 35 11.533 -6.558 -5.660 1.00 0.50 C ATOM 504 CD PRO A 35 12.279 -5.548 -4.821 1.00 0.46 C ATOM 0 HA PRO A 35 10.400 -3.610 -6.786 1.00 0.40 H new ATOM 0 HB2 PRO A 35 9.787 -6.277 -6.874 1.00 0.48 H new ATOM 0 HB3 PRO A 35 11.275 -5.731 -7.622 1.00 0.48 H new ATOM 0 HG2 PRO A 35 10.875 -7.165 -5.038 1.00 0.50 H new ATOM 0 HG3 PRO A 35 12.228 -7.240 -6.149 1.00 0.50 H new ATOM 0 HD2 PRO A 35 12.095 -5.700 -3.757 1.00 0.46 H new ATOM 0 HD3 PRO A 35 13.356 -5.622 -4.972 1.00 0.46 H new ATOM 512 N TRP A 36 9.414 -3.861 -4.013 1.00 0.30 N ATOM 513 CA TRP A 36 8.295 -3.782 -3.093 1.00 0.27 C ATOM 514 C TRP A 36 7.637 -2.419 -3.180 1.00 0.24 C ATOM 515 O TRP A 36 7.107 -1.912 -2.189 1.00 0.25 O ATOM 516 CB TRP A 36 8.748 -4.069 -1.657 1.00 0.28 C ATOM 517 CG TRP A 36 9.196 -5.490 -1.437 1.00 0.29 C ATOM 518 CD1 TRP A 36 10.073 -5.921 -0.489 1.00 0.32 C ATOM 519 CD2 TRP A 36 8.797 -6.662 -2.172 1.00 0.31 C ATOM 520 NE1 TRP A 36 10.238 -7.280 -0.575 1.00 0.34 N ATOM 521 CE2 TRP A 36 9.470 -7.759 -1.600 1.00 0.34 C ATOM 522 CE3 TRP A 36 7.939 -6.896 -3.251 1.00 0.35 C ATOM 523 CZ2 TRP A 36 9.312 -9.059 -2.068 1.00 0.38 C ATOM 524 CZ3 TRP A 36 7.784 -8.188 -3.715 1.00 0.41 C ATOM 525 CH2 TRP A 36 8.466 -9.254 -3.123 1.00 0.42 C ATOM 0 H TRP A 36 10.287 -3.478 -3.650 1.00 0.30 H new ATOM 0 HA TRP A 36 7.565 -4.540 -3.376 1.00 0.27 H new ATOM 0 HB2 TRP A 36 9.566 -3.396 -1.402 1.00 0.28 H new ATOM 0 HB3 TRP A 36 7.927 -3.846 -0.975 1.00 0.28 H new ATOM 0 HD1 TRP A 36 10.568 -5.284 0.229 1.00 0.32 H new ATOM 0 HE1 TRP A 36 10.837 -7.843 0.029 1.00 0.34 H new ATOM 0 HE3 TRP A 36 7.406 -6.079 -3.715 1.00 0.35 H new ATOM 0 HZ2 TRP A 36 9.839 -9.885 -1.614 1.00 0.38 H new ATOM 0 HZ3 TRP A 36 7.125 -8.377 -4.549 1.00 0.41 H new ATOM 0 HH2 TRP A 36 8.321 -10.253 -3.507 1.00 0.42 H new ATOM 536 N ASP A 37 7.666 -1.837 -4.377 1.00 0.24 N ATOM 537 CA ASP A 37 7.082 -0.522 -4.613 1.00 0.21 C ATOM 538 C ASP A 37 5.608 -0.547 -4.252 1.00 0.21 C ATOM 539 O ASP A 37 4.975 -1.610 -4.270 1.00 0.24 O ATOM 540 CB ASP A 37 7.218 -0.088 -6.080 1.00 0.25 C ATOM 541 CG ASP A 37 8.381 -0.734 -6.805 1.00 0.82 C ATOM 542 OD1 ASP A 37 8.367 -1.966 -6.994 1.00 1.59 O ATOM 543 OD2 ASP A 37 9.336 -0.010 -7.157 1.00 1.21 O ATOM 0 H ASP A 37 8.091 -2.260 -5.202 1.00 0.24 H new ATOM 0 HA ASP A 37 7.623 0.191 -3.990 1.00 0.21 H new ATOM 0 HB2 ASP A 37 6.295 -0.329 -6.607 1.00 0.25 H new ATOM 0 HB3 ASP A 37 7.334 0.995 -6.119 1.00 0.25 H new ATOM 548 N ILE A 38 5.056 0.619 -3.953 1.00 0.20 N ATOM 549 CA ILE A 38 3.650 0.730 -3.583 1.00 0.20 C ATOM 550 C ILE A 38 2.773 0.109 -4.675 1.00 0.20 C ATOM 551 O ILE A 38 1.743 -0.500 -4.397 1.00 0.23 O ATOM 552 CB ILE A 38 3.245 2.209 -3.361 1.00 0.20 C ATOM 553 CG1 ILE A 38 4.334 2.948 -2.566 1.00 0.20 C ATOM 554 CG2 ILE A 38 1.906 2.296 -2.641 1.00 0.23 C ATOM 555 CD1 ILE A 38 4.629 2.359 -1.198 1.00 0.24 C ATOM 0 H ILE A 38 5.561 1.505 -3.959 1.00 0.20 H new ATOM 0 HA ILE A 38 3.502 0.192 -2.647 1.00 0.20 H new ATOM 0 HB ILE A 38 3.141 2.688 -4.334 1.00 0.20 H new ATOM 0 HG12 ILE A 38 5.253 2.951 -3.151 1.00 0.20 H new ATOM 0 HG13 ILE A 38 4.032 3.988 -2.442 1.00 0.20 H new ATOM 0 HG21 ILE A 38 1.639 3.343 -2.494 1.00 0.23 H new ATOM 0 HG22 ILE A 38 1.138 1.806 -3.240 1.00 0.23 H new ATOM 0 HG23 ILE A 38 1.981 1.802 -1.672 1.00 0.23 H new ATOM 0 HD11 ILE A 38 5.409 2.944 -0.710 1.00 0.24 H new ATOM 0 HD12 ILE A 38 3.725 2.381 -0.590 1.00 0.24 H new ATOM 0 HD13 ILE A 38 4.965 1.328 -1.310 1.00 0.24 H new ATOM 567 N ARG A 39 3.231 0.253 -5.913 1.00 0.19 N ATOM 568 CA ARG A 39 2.589 -0.339 -7.081 1.00 0.20 C ATOM 569 C ARG A 39 2.473 -1.860 -6.945 1.00 0.19 C ATOM 570 O ARG A 39 1.396 -2.424 -7.119 1.00 0.25 O ATOM 571 CB ARG A 39 3.405 0.036 -8.330 1.00 0.31 C ATOM 572 CG ARG A 39 2.921 -0.568 -9.645 1.00 0.99 C ATOM 573 CD ARG A 39 3.502 -1.957 -9.890 1.00 1.11 C ATOM 574 NE ARG A 39 3.457 -2.315 -11.311 1.00 1.63 N ATOM 575 CZ ARG A 39 4.063 -3.373 -11.847 1.00 2.06 C ATOM 576 NH1 ARG A 39 4.722 -4.234 -11.087 1.00 2.03 N ATOM 577 NH2 ARG A 39 4.001 -3.574 -13.157 1.00 2.62 N ATOM 0 H ARG A 39 4.069 0.790 -6.137 1.00 0.19 H new ATOM 0 HA ARG A 39 1.575 0.050 -7.169 1.00 0.20 H new ATOM 0 HB2 ARG A 39 3.405 1.122 -8.429 1.00 0.31 H new ATOM 0 HB3 ARG A 39 4.439 -0.269 -8.170 1.00 0.31 H new ATOM 0 HG2 ARG A 39 1.833 -0.628 -9.637 1.00 0.99 H new ATOM 0 HG3 ARG A 39 3.198 0.090 -10.469 1.00 0.99 H new ATOM 0 HD2 ARG A 39 4.533 -1.988 -9.538 1.00 1.11 H new ATOM 0 HD3 ARG A 39 2.945 -2.693 -9.310 1.00 1.11 H new ATOM 0 HE ARG A 39 2.923 -1.710 -11.934 1.00 1.63 H new ATOM 0 HH11 ARG A 39 4.770 -4.091 -10.078 1.00 2.03 H new ATOM 0 HH12 ARG A 39 5.182 -5.040 -11.510 1.00 2.03 H new ATOM 0 HH21 ARG A 39 3.491 -2.919 -13.750 1.00 2.62 H new ATOM 0 HH22 ARG A 39 4.464 -4.383 -13.571 1.00 2.62 H new ATOM 591 N ASN A 40 3.584 -2.520 -6.624 1.00 0.17 N ATOM 592 CA ASN A 40 3.605 -3.981 -6.560 1.00 0.18 C ATOM 593 C ASN A 40 2.843 -4.491 -5.352 1.00 0.18 C ATOM 594 O ASN A 40 2.182 -5.528 -5.411 1.00 0.22 O ATOM 595 CB ASN A 40 5.037 -4.520 -6.530 1.00 0.22 C ATOM 596 CG ASN A 40 5.662 -4.582 -7.908 1.00 0.40 C ATOM 597 OD1 ASN A 40 5.376 -5.492 -8.683 1.00 0.69 O ATOM 598 ND2 ASN A 40 6.547 -3.648 -8.214 1.00 0.59 N ATOM 0 H ASN A 40 4.474 -2.072 -6.406 1.00 0.17 H new ATOM 0 HA ASN A 40 3.115 -4.344 -7.463 1.00 0.18 H new ATOM 0 HB2 ASN A 40 5.647 -3.886 -5.886 1.00 0.22 H new ATOM 0 HB3 ASN A 40 5.037 -5.517 -6.089 1.00 0.22 H new ATOM 0 HD21 ASN A 40 7.017 -3.668 -9.119 1.00 0.59 H new ATOM 0 HD22 ASN A 40 6.759 -2.908 -7.545 1.00 0.59 H new ATOM 605 N LEU A 41 2.931 -3.759 -4.258 1.00 0.18 N ATOM 606 CA LEU A 41 2.249 -4.146 -3.034 1.00 0.19 C ATOM 607 C LEU A 41 0.754 -3.957 -3.183 1.00 0.19 C ATOM 608 O LEU A 41 -0.035 -4.709 -2.619 1.00 0.21 O ATOM 609 CB LEU A 41 2.787 -3.343 -1.854 1.00 0.21 C ATOM 610 CG LEU A 41 4.040 -3.930 -1.207 1.00 0.26 C ATOM 611 CD1 LEU A 41 3.667 -5.120 -0.342 1.00 0.32 C ATOM 612 CD2 LEU A 41 5.043 -4.362 -2.265 1.00 0.29 C ATOM 0 H LEU A 41 3.467 -2.894 -4.190 1.00 0.18 H new ATOM 0 HA LEU A 41 2.439 -5.202 -2.842 1.00 0.19 H new ATOM 0 HB2 LEU A 41 3.008 -2.330 -2.191 1.00 0.21 H new ATOM 0 HB3 LEU A 41 2.006 -3.264 -1.098 1.00 0.21 H new ATOM 0 HG LEU A 41 4.498 -3.159 -0.588 1.00 0.26 H new ATOM 0 HD11 LEU A 41 4.566 -5.533 0.116 1.00 0.32 H new ATOM 0 HD12 LEU A 41 2.976 -4.800 0.438 1.00 0.32 H new ATOM 0 HD13 LEU A 41 3.191 -5.883 -0.958 1.00 0.32 H new ATOM 0 HD21 LEU A 41 5.927 -4.777 -1.781 1.00 0.29 H new ATOM 0 HD22 LEU A 41 4.592 -5.119 -2.906 1.00 0.29 H new ATOM 0 HD23 LEU A 41 5.330 -3.500 -2.868 1.00 0.29 H new ATOM 624 N LEU A 42 0.379 -2.957 -3.960 1.00 0.19 N ATOM 625 CA LEU A 42 -1.008 -2.749 -4.329 1.00 0.23 C ATOM 626 C LEU A 42 -1.547 -3.983 -5.039 1.00 0.21 C ATOM 627 O LEU A 42 -2.681 -4.395 -4.814 1.00 0.26 O ATOM 628 CB LEU A 42 -1.111 -1.510 -5.221 1.00 0.30 C ATOM 629 CG LEU A 42 -2.473 -1.244 -5.861 1.00 0.47 C ATOM 630 CD1 LEU A 42 -2.621 0.236 -6.127 1.00 0.91 C ATOM 631 CD2 LEU A 42 -2.621 -2.010 -7.166 1.00 0.82 C ATOM 0 H LEU A 42 1.024 -2.270 -4.351 1.00 0.19 H new ATOM 0 HA LEU A 42 -1.610 -2.587 -3.435 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -0.836 -0.638 -4.627 1.00 0.30 H new ATOM 0 HB3 LEU A 42 -0.371 -1.600 -6.017 1.00 0.30 H new ATOM 0 HG LEU A 42 -3.250 -1.581 -5.174 1.00 0.47 H new ATOM 0 HD11 LEU A 42 -3.592 0.428 -6.584 1.00 0.91 H new ATOM 0 HD12 LEU A 42 -2.547 0.784 -5.188 1.00 0.91 H new ATOM 0 HD13 LEU A 42 -1.831 0.565 -6.802 1.00 0.91 H new ATOM 0 HD21 LEU A 42 -3.599 -1.803 -7.601 1.00 0.82 H new ATOM 0 HD22 LEU A 42 -1.842 -1.698 -7.861 1.00 0.82 H new ATOM 0 HD23 LEU A 42 -2.529 -3.079 -6.973 1.00 0.82 H new ATOM 643 N VAL A 43 -0.718 -4.572 -5.890 1.00 0.20 N ATOM 644 CA VAL A 43 -1.090 -5.775 -6.620 1.00 0.22 C ATOM 645 C VAL A 43 -1.300 -6.922 -5.652 1.00 0.22 C ATOM 646 O VAL A 43 -2.296 -7.643 -5.730 1.00 0.24 O ATOM 647 CB VAL A 43 -0.008 -6.176 -7.639 1.00 0.27 C ATOM 648 CG1 VAL A 43 -0.416 -7.435 -8.390 1.00 0.31 C ATOM 649 CG2 VAL A 43 0.273 -5.034 -8.600 1.00 0.32 C ATOM 0 H VAL A 43 0.223 -4.233 -6.092 1.00 0.20 H new ATOM 0 HA VAL A 43 -2.013 -5.560 -7.159 1.00 0.22 H new ATOM 0 HB VAL A 43 0.912 -6.393 -7.096 1.00 0.27 H new ATOM 0 HG11 VAL A 43 0.363 -7.701 -9.105 1.00 0.31 H new ATOM 0 HG12 VAL A 43 -0.553 -8.253 -7.682 1.00 0.31 H new ATOM 0 HG13 VAL A 43 -1.350 -7.255 -8.922 1.00 0.31 H new ATOM 0 HG21 VAL A 43 1.040 -5.338 -9.312 1.00 0.32 H new ATOM 0 HG22 VAL A 43 -0.640 -4.778 -9.138 1.00 0.32 H new ATOM 0 HG23 VAL A 43 0.620 -4.165 -8.041 1.00 0.32 H new ATOM 659 N TRP A 44 -0.353 -7.074 -4.735 1.00 0.23 N ATOM 660 CA TRP A 44 -0.439 -8.089 -3.705 1.00 0.27 C ATOM 661 C TRP A 44 -1.729 -7.910 -2.917 1.00 0.28 C ATOM 662 O TRP A 44 -2.475 -8.861 -2.675 1.00 0.33 O ATOM 663 CB TRP A 44 0.761 -7.988 -2.758 1.00 0.31 C ATOM 664 CG TRP A 44 0.811 -9.104 -1.762 1.00 0.41 C ATOM 665 CD1 TRP A 44 0.289 -9.110 -0.498 1.00 0.45 C ATOM 666 CD2 TRP A 44 1.412 -10.385 -1.956 1.00 0.54 C ATOM 667 NE1 TRP A 44 0.527 -10.326 0.102 1.00 0.56 N ATOM 668 CE2 TRP A 44 1.216 -11.124 -0.775 1.00 0.61 C ATOM 669 CE3 TRP A 44 2.093 -10.978 -3.019 1.00 0.65 C ATOM 670 CZ2 TRP A 44 1.680 -12.428 -0.632 1.00 0.76 C ATOM 671 CZ3 TRP A 44 2.555 -12.270 -2.875 1.00 0.81 C ATOM 672 CH2 TRP A 44 2.345 -12.984 -1.690 1.00 0.85 C ATOM 0 H TRP A 44 0.488 -6.499 -4.688 1.00 0.23 H new ATOM 0 HA TRP A 44 -0.434 -9.071 -4.177 1.00 0.27 H new ATOM 0 HB2 TRP A 44 1.681 -7.988 -3.343 1.00 0.31 H new ATOM 0 HB3 TRP A 44 0.721 -7.036 -2.228 1.00 0.31 H new ATOM 0 HD1 TRP A 44 -0.233 -8.283 -0.039 1.00 0.45 H new ATOM 0 HE1 TRP A 44 0.238 -10.590 1.044 1.00 0.56 H new ATOM 0 HE3 TRP A 44 2.256 -10.435 -3.939 1.00 0.65 H new ATOM 0 HZ2 TRP A 44 1.521 -12.981 0.282 1.00 0.76 H new ATOM 0 HZ3 TRP A 44 3.087 -12.738 -3.690 1.00 0.81 H new ATOM 0 HH2 TRP A 44 2.716 -13.995 -1.609 1.00 0.85 H new ATOM 683 N ILE A 45 -1.995 -6.674 -2.547 1.00 0.26 N ATOM 684 CA ILE A 45 -3.176 -6.349 -1.774 1.00 0.29 C ATOM 685 C ILE A 45 -4.449 -6.566 -2.597 1.00 0.31 C ATOM 686 O ILE A 45 -5.431 -7.108 -2.104 1.00 0.37 O ATOM 687 CB ILE A 45 -3.107 -4.895 -1.263 1.00 0.31 C ATOM 688 CG1 ILE A 45 -2.002 -4.765 -0.212 1.00 0.36 C ATOM 689 CG2 ILE A 45 -4.440 -4.454 -0.690 1.00 0.36 C ATOM 690 CD1 ILE A 45 -1.808 -3.353 0.293 1.00 0.47 C ATOM 0 H ILE A 45 -1.405 -5.873 -2.771 1.00 0.26 H new ATOM 0 HA ILE A 45 -3.209 -7.019 -0.915 1.00 0.29 H new ATOM 0 HB ILE A 45 -2.875 -4.244 -2.106 1.00 0.31 H new ATOM 0 HG12 ILE A 45 -2.237 -5.414 0.631 1.00 0.36 H new ATOM 0 HG13 ILE A 45 -1.064 -5.122 -0.638 1.00 0.36 H new ATOM 0 HG21 ILE A 45 -4.362 -3.426 -0.337 1.00 0.36 H new ATOM 0 HG22 ILE A 45 -5.206 -4.516 -1.463 1.00 0.36 H new ATOM 0 HG23 ILE A 45 -4.711 -5.103 0.143 1.00 0.36 H new ATOM 0 HD11 ILE A 45 -1.009 -3.338 1.034 1.00 0.47 H new ATOM 0 HD12 ILE A 45 -1.542 -2.702 -0.540 1.00 0.47 H new ATOM 0 HD13 ILE A 45 -2.733 -2.999 0.749 1.00 0.47 H new ATOM 702 N LYS A 46 -4.417 -6.167 -3.856 1.00 0.29 N ATOM 703 CA LYS A 46 -5.583 -6.284 -4.717 1.00 0.35 C ATOM 704 C LYS A 46 -5.889 -7.743 -5.052 1.00 0.39 C ATOM 705 O LYS A 46 -6.965 -8.250 -4.742 1.00 0.44 O ATOM 706 CB LYS A 46 -5.358 -5.488 -6.010 1.00 0.39 C ATOM 707 CG LYS A 46 -6.503 -5.592 -7.009 1.00 0.91 C ATOM 708 CD LYS A 46 -6.229 -4.775 -8.264 1.00 0.91 C ATOM 709 CE LYS A 46 -6.413 -3.284 -8.025 1.00 1.26 C ATOM 710 NZ LYS A 46 -7.849 -2.917 -7.885 1.00 1.93 N ATOM 0 H LYS A 46 -3.597 -5.759 -4.306 1.00 0.29 H new ATOM 0 HA LYS A 46 -6.439 -5.877 -4.180 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -5.205 -4.439 -5.757 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -4.442 -5.838 -6.485 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -6.656 -6.637 -7.281 1.00 0.91 H new ATOM 0 HG3 LYS A 46 -7.426 -5.246 -6.543 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -5.211 -4.965 -8.605 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -6.898 -5.100 -9.061 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -5.874 -2.992 -7.124 1.00 1.26 H new ATOM 0 HE3 LYS A 46 -5.975 -2.727 -8.853 1.00 1.26 H new ATOM 0 HZ1 LYS A 46 -7.940 -1.882 -7.842 1.00 1.93 H new ATOM 0 HZ2 LYS A 46 -8.381 -3.278 -8.703 1.00 1.93 H new ATOM 0 HZ3 LYS A 46 -8.230 -3.334 -7.012 1.00 1.93 H new ATOM 724 N LYS A 47 -4.917 -8.428 -5.624 1.00 0.41 N ATOM 725 CA LYS A 47 -5.163 -9.731 -6.225 1.00 0.52 C ATOM 726 C LYS A 47 -4.971 -10.889 -5.248 1.00 0.57 C ATOM 727 O LYS A 47 -5.302 -12.031 -5.572 1.00 0.78 O ATOM 728 CB LYS A 47 -4.283 -9.909 -7.463 1.00 0.65 C ATOM 729 CG LYS A 47 -4.673 -8.977 -8.599 1.00 1.31 C ATOM 730 CD LYS A 47 -3.816 -9.189 -9.835 1.00 1.66 C ATOM 731 CE LYS A 47 -4.322 -8.348 -10.997 1.00 2.33 C ATOM 732 NZ LYS A 47 -3.499 -8.526 -12.220 1.00 2.96 N ATOM 0 H LYS A 47 -3.951 -8.107 -5.687 1.00 0.41 H new ATOM 0 HA LYS A 47 -6.213 -9.756 -6.518 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -3.242 -9.730 -7.193 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -4.350 -10.941 -7.806 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -5.721 -9.136 -8.854 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -4.579 -7.943 -8.267 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -2.781 -8.927 -9.614 1.00 1.66 H new ATOM 0 HD3 LYS A 47 -3.825 -10.243 -10.113 1.00 1.66 H new ATOM 0 HE2 LYS A 47 -5.356 -8.617 -11.215 1.00 2.33 H new ATOM 0 HE3 LYS A 47 -4.320 -7.296 -10.710 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 -3.881 -7.934 -12.985 1.00 2.96 H new ATOM 0 HZ2 LYS A 47 -2.518 -8.245 -12.022 1.00 2.96 H new ATOM 0 HZ3 LYS A 47 -3.521 -9.524 -12.511 1.00 2.96 H new ATOM 746 N ASN A 48 -4.439 -10.615 -4.064 1.00 0.50 N ATOM 747 CA ASN A 48 -4.270 -11.671 -3.069 1.00 0.58 C ATOM 748 C ASN A 48 -5.050 -11.361 -1.792 1.00 0.58 C ATOM 749 O ASN A 48 -5.708 -12.241 -1.234 1.00 0.77 O ATOM 750 CB ASN A 48 -2.788 -11.893 -2.745 1.00 0.61 C ATOM 751 CG ASN A 48 -2.554 -13.110 -1.862 1.00 1.41 C ATOM 752 OD1 ASN A 48 -3.367 -14.145 -2.034 1.00 2.21 O flip ATOM 753 ND2 ASN A 48 -1.636 -13.127 -1.042 1.00 2.09 N flip ATOM 0 H ASN A 48 -4.122 -9.691 -3.771 1.00 0.50 H new ATOM 0 HA ASN A 48 -4.670 -12.589 -3.499 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -2.231 -12.012 -3.675 1.00 0.61 H new ATOM 0 HB3 ASN A 48 -2.393 -11.007 -2.248 1.00 0.61 H new ATOM 0 HD21 ASN A 48 -1.031 -12.313 -0.937 1.00 2.09 H new ATOM 0 HD22 ASN A 48 -1.481 -13.955 -0.468 1.00 2.09 H new ATOM 760 N LEU A 49 -4.990 -10.116 -1.333 1.00 0.42 N ATOM 761 CA LEU A 49 -5.667 -9.739 -0.095 1.00 0.44 C ATOM 762 C LEU A 49 -7.150 -9.453 -0.308 1.00 0.39 C ATOM 763 O LEU A 49 -7.976 -9.854 0.509 1.00 0.39 O ATOM 764 CB LEU A 49 -5.015 -8.515 0.555 1.00 0.50 C ATOM 765 CG LEU A 49 -3.782 -8.776 1.425 1.00 0.57 C ATOM 766 CD1 LEU A 49 -3.517 -7.576 2.322 1.00 1.32 C ATOM 767 CD2 LEU A 49 -3.952 -10.033 2.262 1.00 1.10 C ATOM 0 H LEU A 49 -4.486 -9.357 -1.792 1.00 0.42 H new ATOM 0 HA LEU A 49 -5.569 -10.598 0.569 1.00 0.44 H new ATOM 0 HB2 LEU A 49 -4.733 -7.819 -0.235 1.00 0.50 H new ATOM 0 HB3 LEU A 49 -5.765 -8.015 1.168 1.00 0.50 H new ATOM 0 HG LEU A 49 -2.927 -8.928 0.766 1.00 0.57 H new ATOM 0 HD11 LEU A 49 -2.639 -7.769 2.938 1.00 1.32 H new ATOM 0 HD12 LEU A 49 -3.342 -6.693 1.707 1.00 1.32 H new ATOM 0 HD13 LEU A 49 -4.380 -7.405 2.965 1.00 1.32 H new ATOM 0 HD21 LEU A 49 -3.060 -10.190 2.868 1.00 1.10 H new ATOM 0 HD22 LEU A 49 -4.818 -9.922 2.914 1.00 1.10 H new ATOM 0 HD23 LEU A 49 -4.100 -10.890 1.605 1.00 1.10 H new ATOM 779 N LEU A 50 -7.490 -8.753 -1.389 1.00 0.39 N ATOM 780 CA LEU A 50 -8.864 -8.324 -1.603 1.00 0.39 C ATOM 781 C LEU A 50 -9.754 -9.532 -1.870 1.00 0.41 C ATOM 782 O LEU A 50 -9.729 -10.117 -2.953 1.00 0.50 O ATOM 783 CB LEU A 50 -8.928 -7.328 -2.766 1.00 0.47 C ATOM 784 CG LEU A 50 -9.903 -6.162 -2.593 1.00 0.44 C ATOM 785 CD1 LEU A 50 -11.289 -6.652 -2.222 1.00 0.51 C ATOM 786 CD2 LEU A 50 -9.385 -5.192 -1.550 1.00 0.62 C ATOM 0 H LEU A 50 -6.837 -8.475 -2.122 1.00 0.39 H new ATOM 0 HA LEU A 50 -9.227 -7.825 -0.705 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -7.930 -6.921 -2.926 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -9.199 -7.872 -3.671 1.00 0.47 H new ATOM 0 HG LEU A 50 -9.979 -5.643 -3.548 1.00 0.44 H new ATOM 0 HD11 LEU A 50 -11.958 -5.799 -2.106 1.00 0.51 H new ATOM 0 HD12 LEU A 50 -11.667 -7.305 -3.009 1.00 0.51 H new ATOM 0 HD13 LEU A 50 -11.240 -7.205 -1.284 1.00 0.51 H new ATOM 0 HD21 LEU A 50 -10.089 -4.368 -1.438 1.00 0.62 H new ATOM 0 HD22 LEU A 50 -9.275 -5.708 -0.596 1.00 0.62 H new ATOM 0 HD23 LEU A 50 -8.417 -4.802 -1.865 1.00 0.62 H new ATOM 798 N LYS A 51 -10.522 -9.915 -0.859 1.00 0.40 N ATOM 799 CA LYS A 51 -11.367 -11.090 -0.946 1.00 0.47 C ATOM 800 C LYS A 51 -12.692 -10.769 -1.626 1.00 0.52 C ATOM 801 O LYS A 51 -13.338 -11.654 -2.188 1.00 0.63 O ATOM 802 CB LYS A 51 -11.611 -11.657 0.451 1.00 0.52 C ATOM 803 CG LYS A 51 -10.329 -11.957 1.220 1.00 0.57 C ATOM 804 CD LYS A 51 -9.494 -13.037 0.543 1.00 1.08 C ATOM 805 CE LYS A 51 -10.209 -14.381 0.520 1.00 1.81 C ATOM 806 NZ LYS A 51 -10.463 -14.897 1.890 1.00 2.26 N ATOM 0 H LYS A 51 -10.575 -9.424 0.033 1.00 0.40 H new ATOM 0 HA LYS A 51 -10.854 -11.836 -1.553 1.00 0.47 H new ATOM 0 HB2 LYS A 51 -12.210 -10.948 1.022 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -12.196 -12.573 0.365 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -9.738 -11.045 1.309 1.00 0.57 H new ATOM 0 HG3 LYS A 51 -10.580 -12.274 2.232 1.00 0.57 H new ATOM 0 HD2 LYS A 51 -9.265 -12.731 -0.478 1.00 1.08 H new ATOM 0 HD3 LYS A 51 -8.543 -13.141 1.066 1.00 1.08 H new ATOM 0 HE2 LYS A 51 -11.155 -14.280 -0.011 1.00 1.81 H new ATOM 0 HE3 LYS A 51 -9.608 -15.102 -0.034 1.00 1.81 H new ATOM 0 HZ1 LYS A 51 -10.745 -15.897 1.838 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 -9.597 -14.811 2.459 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 -11.225 -14.345 2.333 1.00 2.26 H new ATOM 820 N GLU A 52 -13.094 -9.507 -1.572 1.00 0.52 N ATOM 821 CA GLU A 52 -14.314 -9.073 -2.235 1.00 0.59 C ATOM 822 C GLU A 52 -13.987 -8.355 -3.545 1.00 0.58 C ATOM 823 O GLU A 52 -13.097 -8.783 -4.279 1.00 0.72 O ATOM 824 CB GLU A 52 -15.152 -8.183 -1.310 1.00 0.66 C ATOM 825 CG GLU A 52 -14.416 -6.985 -0.730 1.00 0.64 C ATOM 826 CD GLU A 52 -15.348 -6.088 0.055 1.00 0.90 C ATOM 827 OE1 GLU A 52 -16.035 -5.245 -0.560 1.00 1.15 O ATOM 828 OE2 GLU A 52 -15.371 -6.200 1.295 1.00 1.16 O ATOM 0 H GLU A 52 -12.594 -8.768 -1.077 1.00 0.52 H new ATOM 0 HA GLU A 52 -14.908 -9.956 -2.473 1.00 0.59 H new ATOM 0 HB2 GLU A 52 -16.019 -7.824 -1.864 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -15.528 -8.792 -0.488 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -13.610 -7.330 -0.082 1.00 0.64 H new ATOM 0 HG3 GLU A 52 -13.954 -6.415 -1.536 1.00 0.64 H new ATOM 835 N ARG A 53 -14.702 -7.270 -3.837 1.00 0.65 N ATOM 836 CA ARG A 53 -14.550 -6.567 -5.109 1.00 0.68 C ATOM 837 C ARG A 53 -13.403 -5.561 -5.032 1.00 0.59 C ATOM 838 O ARG A 53 -13.513 -4.536 -4.362 1.00 0.65 O ATOM 839 CB ARG A 53 -15.843 -5.826 -5.480 1.00 0.87 C ATOM 840 CG ARG A 53 -17.112 -6.519 -5.007 1.00 1.34 C ATOM 841 CD ARG A 53 -17.268 -7.908 -5.605 1.00 1.78 C ATOM 842 NE ARG A 53 -18.295 -8.675 -4.903 1.00 2.46 N ATOM 843 CZ ARG A 53 -18.561 -9.958 -5.128 1.00 3.32 C ATOM 844 NH1 ARG A 53 -17.894 -10.631 -6.060 1.00 3.80 N ATOM 845 NH2 ARG A 53 -19.495 -10.568 -4.413 1.00 4.10 N ATOM 0 H ARG A 53 -15.393 -6.859 -3.209 1.00 0.65 H new ATOM 0 HA ARG A 53 -14.330 -7.311 -5.875 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -15.809 -4.823 -5.055 1.00 0.87 H new ATOM 0 HB3 ARG A 53 -15.886 -5.712 -6.563 1.00 0.87 H new ATOM 0 HG2 ARG A 53 -17.099 -6.593 -3.920 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -17.976 -5.911 -5.275 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -17.530 -7.825 -6.660 1.00 1.78 H new ATOM 0 HD3 ARG A 53 -16.317 -8.438 -5.554 1.00 1.78 H new ATOM 0 HE ARG A 53 -18.845 -8.193 -4.192 1.00 2.46 H new ATOM 0 HH11 ARG A 53 -17.172 -10.163 -6.608 1.00 3.80 H new ATOM 0 HH12 ARG A 53 -18.104 -11.615 -6.227 1.00 3.80 H new ATOM 0 HH21 ARG A 53 -20.005 -10.053 -3.695 1.00 4.10 H new ATOM 0 HH22 ARG A 53 -19.704 -11.552 -4.581 1.00 4.10 H new ATOM 859 N PRO A 54 -12.287 -5.829 -5.724 1.00 0.55 N ATOM 860 CA PRO A 54 -11.123 -4.947 -5.715 1.00 0.53 C ATOM 861 C PRO A 54 -11.355 -3.686 -6.535 1.00 0.57 C ATOM 862 O PRO A 54 -10.542 -2.764 -6.517 1.00 0.59 O ATOM 863 CB PRO A 54 -10.009 -5.776 -6.353 1.00 0.61 C ATOM 864 CG PRO A 54 -10.567 -7.155 -6.521 1.00 0.68 C ATOM 865 CD PRO A 54 -12.059 -7.005 -6.566 1.00 0.65 C ATOM 0 HA PRO A 54 -10.891 -4.613 -4.704 1.00 0.53 H new ATOM 0 HB2 PRO A 54 -9.711 -5.356 -7.314 1.00 0.61 H new ATOM 0 HB3 PRO A 54 -9.121 -5.789 -5.721 1.00 0.61 H new ATOM 0 HG2 PRO A 54 -10.195 -7.616 -7.436 1.00 0.68 H new ATOM 0 HG3 PRO A 54 -10.266 -7.799 -5.695 1.00 0.68 H new ATOM 0 HD2 PRO A 54 -12.421 -6.852 -7.583 1.00 0.65 H new ATOM 0 HD3 PRO A 54 -12.567 -7.887 -6.177 1.00 0.65 H new ATOM 873 N GLU A 55 -12.456 -3.667 -7.269 1.00 0.64 N ATOM 874 CA GLU A 55 -12.826 -2.505 -8.063 1.00 0.75 C ATOM 875 C GLU A 55 -13.661 -1.523 -7.249 1.00 0.69 C ATOM 876 O GLU A 55 -13.974 -0.424 -7.708 1.00 0.80 O ATOM 877 CB GLU A 55 -13.548 -2.947 -9.329 1.00 0.92 C ATOM 878 CG GLU A 55 -12.640 -3.740 -10.254 1.00 1.39 C ATOM 879 CD GLU A 55 -13.380 -4.391 -11.394 1.00 1.89 C ATOM 880 OE1 GLU A 55 -13.667 -3.700 -12.392 1.00 2.27 O ATOM 881 OE2 GLU A 55 -13.673 -5.602 -11.295 1.00 2.43 O ATOM 0 H GLU A 55 -13.112 -4.446 -7.332 1.00 0.64 H new ATOM 0 HA GLU A 55 -11.918 -1.979 -8.357 1.00 0.75 H new ATOM 0 HB2 GLU A 55 -14.412 -3.555 -9.060 1.00 0.92 H new ATOM 0 HB3 GLU A 55 -13.926 -2.071 -9.856 1.00 0.92 H new ATOM 0 HG2 GLU A 55 -11.874 -3.077 -10.657 1.00 1.39 H new ATOM 0 HG3 GLU A 55 -12.125 -4.508 -9.677 1.00 1.39 H new ATOM 888 N LEU A 56 -14.026 -1.928 -6.039 1.00 0.64 N ATOM 889 CA LEU A 56 -14.556 -0.999 -5.050 1.00 0.68 C ATOM 890 C LEU A 56 -13.387 -0.487 -4.225 1.00 0.59 C ATOM 891 O LEU A 56 -13.491 0.463 -3.451 1.00 0.69 O ATOM 892 CB LEU A 56 -15.592 -1.683 -4.155 1.00 0.81 C ATOM 893 CG LEU A 56 -16.808 -2.247 -4.889 1.00 1.09 C ATOM 894 CD1 LEU A 56 -17.825 -2.793 -3.898 1.00 1.86 C ATOM 895 CD2 LEU A 56 -17.435 -1.179 -5.773 1.00 2.05 C ATOM 0 H LEU A 56 -13.964 -2.895 -5.719 1.00 0.64 H new ATOM 0 HA LEU A 56 -15.061 -0.171 -5.547 1.00 0.68 H new ATOM 0 HB2 LEU A 56 -15.104 -2.494 -3.615 1.00 0.81 H new ATOM 0 HB3 LEU A 56 -15.937 -0.966 -3.410 1.00 0.81 H new ATOM 0 HG LEU A 56 -16.479 -3.069 -5.525 1.00 1.09 H new ATOM 0 HD11 LEU A 56 -18.684 -3.190 -4.439 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -17.368 -3.588 -3.309 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -18.153 -1.992 -3.235 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -18.300 -1.596 -6.289 1.00 2.05 H new ATOM 0 HD22 LEU A 56 -17.751 -0.337 -5.158 1.00 2.05 H new ATOM 0 HD23 LEU A 56 -16.704 -0.839 -6.506 1.00 2.05 H new ATOM 907 N PHE A 57 -12.266 -1.155 -4.437 1.00 0.47 N ATOM 908 CA PHE A 57 -10.997 -0.819 -3.833 1.00 0.41 C ATOM 909 C PHE A 57 -10.240 0.112 -4.798 1.00 0.37 C ATOM 910 O PHE A 57 -10.823 0.610 -5.759 1.00 0.37 O ATOM 911 CB PHE A 57 -10.253 -2.142 -3.538 1.00 0.38 C ATOM 912 CG PHE A 57 -8.914 -2.031 -2.864 1.00 0.35 C ATOM 913 CD1 PHE A 57 -8.805 -1.466 -1.602 1.00 0.35 C ATOM 914 CD2 PHE A 57 -7.764 -2.457 -3.500 1.00 0.37 C ATOM 915 CE1 PHE A 57 -7.576 -1.340 -0.987 1.00 0.36 C ATOM 916 CE2 PHE A 57 -6.530 -2.331 -2.892 1.00 0.38 C ATOM 917 CZ PHE A 57 -6.441 -1.881 -1.605 1.00 0.35 C ATOM 0 H PHE A 57 -12.217 -1.968 -5.052 1.00 0.47 H new ATOM 0 HA PHE A 57 -11.102 -0.284 -2.889 1.00 0.41 H new ATOM 0 HB2 PHE A 57 -10.897 -2.762 -2.914 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -10.116 -2.672 -4.480 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -9.693 -1.120 -1.094 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -7.831 -2.894 -4.485 1.00 0.37 H new ATOM 0 HE1 PHE A 57 -7.490 -0.830 -0.039 1.00 0.36 H new ATOM 0 HE2 PHE A 57 -5.633 -2.589 -3.436 1.00 0.38 H new ATOM 0 HZ PHE A 57 -5.505 -1.942 -1.069 1.00 0.35 H new ATOM 927 N ILE A 58 -8.963 0.335 -4.559 1.00 0.36 N ATOM 928 CA ILE A 58 -8.187 1.324 -5.309 1.00 0.36 C ATOM 929 C ILE A 58 -7.760 0.825 -6.688 1.00 0.30 C ATOM 930 O ILE A 58 -7.795 -0.373 -6.974 1.00 0.30 O ATOM 931 CB ILE A 58 -6.919 1.733 -4.538 1.00 0.45 C ATOM 932 CG1 ILE A 58 -6.031 0.514 -4.310 1.00 0.51 C ATOM 933 CG2 ILE A 58 -7.284 2.385 -3.222 1.00 0.97 C ATOM 934 CD1 ILE A 58 -4.796 0.800 -3.487 1.00 0.90 C ATOM 0 H ILE A 58 -8.428 -0.158 -3.844 1.00 0.36 H new ATOM 0 HA ILE A 58 -8.852 2.178 -5.437 1.00 0.36 H new ATOM 0 HB ILE A 58 -6.365 2.460 -5.132 1.00 0.45 H new ATOM 0 HG12 ILE A 58 -6.615 -0.261 -3.813 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -5.726 0.113 -5.277 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -6.375 2.667 -2.691 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -7.885 3.275 -3.411 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -7.856 1.683 -2.615 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -4.217 -0.116 -3.369 1.00 0.90 H new ATOM 0 HD12 ILE A 58 -4.188 1.551 -3.992 1.00 0.90 H new ATOM 0 HD13 ILE A 58 -5.091 1.172 -2.506 1.00 0.90 H new ATOM 946 N GLN A 59 -7.358 1.779 -7.527 1.00 0.31 N ATOM 947 CA GLN A 59 -6.907 1.509 -8.889 1.00 0.30 C ATOM 948 C GLN A 59 -5.680 0.614 -8.864 1.00 0.27 C ATOM 949 O GLN A 59 -4.894 0.676 -7.924 1.00 0.29 O ATOM 950 CB GLN A 59 -6.537 2.822 -9.587 1.00 0.39 C ATOM 951 CG GLN A 59 -5.304 3.493 -8.986 1.00 0.56 C ATOM 952 CD GLN A 59 -4.819 4.695 -9.777 1.00 0.60 C ATOM 953 OE1 GLN A 59 -3.527 4.999 -9.679 1.00 1.35 O flip ATOM 954 NE2 GLN A 59 -5.600 5.360 -10.453 1.00 0.58 N flip ATOM 0 H GLN A 59 -7.337 2.768 -7.277 1.00 0.31 H new ATOM 0 HA GLN A 59 -7.715 1.015 -9.428 1.00 0.30 H new ATOM 0 HB2 GLN A 59 -6.358 2.627 -10.644 1.00 0.39 H new ATOM 0 HB3 GLN A 59 -7.382 3.508 -9.528 1.00 0.39 H new ATOM 0 HG2 GLN A 59 -5.532 3.807 -7.967 1.00 0.56 H new ATOM 0 HG3 GLN A 59 -4.498 2.762 -8.921 1.00 0.56 H new ATOM 0 HE21 GLN A 59 -6.584 5.095 -10.504 1.00 0.58 H new ATOM 0 HE22 GLN A 59 -5.265 6.177 -10.964 1.00 0.58 H new ATOM 963 N GLY A 60 -5.533 -0.230 -9.875 1.00 0.32 N ATOM 964 CA GLY A 60 -4.390 -1.125 -9.949 1.00 0.38 C ATOM 965 C GLY A 60 -3.088 -0.412 -10.287 1.00 0.37 C ATOM 966 O GLY A 60 -2.315 -0.885 -11.117 1.00 0.55 O ATOM 0 H GLY A 60 -6.189 -0.313 -10.652 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -4.277 -1.639 -8.994 1.00 0.38 H new ATOM 0 HA3 GLY A 60 -4.584 -1.889 -10.702 1.00 0.38 H new ATOM 970 N ASP A 61 -2.846 0.715 -9.626 1.00 0.40 N ATOM 971 CA ASP A 61 -1.639 1.508 -9.833 1.00 0.46 C ATOM 972 C ASP A 61 -1.182 2.134 -8.517 1.00 0.44 C ATOM 973 O ASP A 61 -0.077 1.873 -8.056 1.00 0.54 O ATOM 974 CB ASP A 61 -1.865 2.616 -10.869 1.00 0.55 C ATOM 975 CG ASP A 61 -1.771 2.137 -12.307 1.00 0.81 C ATOM 976 OD1 ASP A 61 -2.789 1.657 -12.851 1.00 0.96 O ATOM 977 OD2 ASP A 61 -0.689 2.273 -12.912 1.00 1.06 O ATOM 0 H ASP A 61 -3.482 1.105 -8.931 1.00 0.40 H new ATOM 0 HA ASP A 61 -0.867 0.835 -10.208 1.00 0.46 H new ATOM 0 HB2 ASP A 61 -2.848 3.058 -10.706 1.00 0.55 H new ATOM 0 HB3 ASP A 61 -1.130 3.405 -10.710 1.00 0.55 H new ATOM 982 N SER A 62 -2.053 2.941 -7.902 1.00 0.40 N ATOM 983 CA SER A 62 -1.704 3.656 -6.671 1.00 0.46 C ATOM 984 C SER A 62 -2.872 3.621 -5.674 1.00 0.47 C ATOM 985 O SER A 62 -2.854 2.847 -4.725 1.00 0.70 O ATOM 986 CB SER A 62 -1.304 5.104 -6.992 1.00 0.53 C ATOM 987 OG SER A 62 -0.708 5.736 -5.876 1.00 0.80 O ATOM 0 H SER A 62 -3.001 3.115 -8.235 1.00 0.40 H new ATOM 0 HA SER A 62 -0.852 3.157 -6.209 1.00 0.46 H new ATOM 0 HB2 SER A 62 -0.608 5.113 -7.831 1.00 0.53 H new ATOM 0 HB3 SER A 62 -2.185 5.666 -7.302 1.00 0.53 H new ATOM 0 HG SER A 62 -0.881 6.700 -5.915 1.00 0.80 H new ATOM 993 N VAL A 63 -3.883 4.459 -5.905 1.00 0.38 N ATOM 994 CA VAL A 63 -5.123 4.451 -5.119 1.00 0.37 C ATOM 995 C VAL A 63 -6.268 5.008 -5.946 1.00 0.40 C ATOM 996 O VAL A 63 -6.056 5.592 -7.006 1.00 0.52 O ATOM 997 CB VAL A 63 -5.065 5.300 -3.829 1.00 0.53 C ATOM 998 CG1 VAL A 63 -4.138 4.710 -2.788 1.00 0.83 C ATOM 999 CG2 VAL A 63 -4.682 6.726 -4.142 1.00 0.78 C ATOM 0 H VAL A 63 -3.868 5.164 -6.642 1.00 0.38 H new ATOM 0 HA VAL A 63 -5.268 3.407 -4.841 1.00 0.37 H new ATOM 0 HB VAL A 63 -6.067 5.293 -3.400 1.00 0.53 H new ATOM 0 HG11 VAL A 63 -4.134 5.345 -1.902 1.00 0.83 H new ATOM 0 HG12 VAL A 63 -4.483 3.712 -2.517 1.00 0.83 H new ATOM 0 HG13 VAL A 63 -3.128 4.647 -3.194 1.00 0.83 H new ATOM 0 HG21 VAL A 63 -4.648 7.305 -3.219 1.00 0.78 H new ATOM 0 HG22 VAL A 63 -3.702 6.743 -4.618 1.00 0.78 H new ATOM 0 HG23 VAL A 63 -5.420 7.161 -4.816 1.00 0.78 H new ATOM 1009 N ARG A 64 -7.475 4.825 -5.451 1.00 0.36 N ATOM 1010 CA ARG A 64 -8.642 5.461 -6.030 1.00 0.40 C ATOM 1011 C ARG A 64 -8.918 6.728 -5.228 1.00 0.40 C ATOM 1012 O ARG A 64 -8.328 6.905 -4.165 1.00 0.40 O ATOM 1013 CB ARG A 64 -9.848 4.513 -5.973 1.00 0.41 C ATOM 1014 CG ARG A 64 -10.307 4.189 -4.558 1.00 0.36 C ATOM 1015 CD ARG A 64 -11.508 3.260 -4.551 1.00 0.45 C ATOM 1016 NE ARG A 64 -12.670 3.850 -5.212 1.00 1.05 N ATOM 1017 CZ ARG A 64 -13.425 3.206 -6.105 1.00 1.39 C ATOM 1018 NH1 ARG A 64 -13.121 1.967 -6.474 1.00 1.63 N ATOM 1019 NH2 ARG A 64 -14.473 3.814 -6.641 1.00 2.05 N ATOM 0 H ARG A 64 -7.675 4.236 -4.642 1.00 0.36 H new ATOM 0 HA ARG A 64 -8.466 5.706 -7.077 1.00 0.40 H new ATOM 0 HB2 ARG A 64 -10.677 4.961 -6.520 1.00 0.41 H new ATOM 0 HB3 ARG A 64 -9.593 3.585 -6.484 1.00 0.41 H new ATOM 0 HG2 ARG A 64 -9.488 3.727 -4.007 1.00 0.36 H new ATOM 0 HG3 ARG A 64 -10.560 5.113 -4.038 1.00 0.36 H new ATOM 0 HD2 ARG A 64 -11.245 2.326 -5.048 1.00 0.45 H new ATOM 0 HD3 ARG A 64 -11.766 3.011 -3.522 1.00 0.45 H new ATOM 0 HE ARG A 64 -12.919 4.811 -4.977 1.00 1.05 H new ATOM 0 HH11 ARG A 64 -12.306 1.501 -6.075 1.00 1.63 H new ATOM 0 HH12 ARG A 64 -13.702 1.481 -7.157 1.00 1.63 H new ATOM 0 HH21 ARG A 64 -14.701 4.771 -6.371 1.00 2.05 H new ATOM 0 HH22 ARG A 64 -15.052 3.325 -7.324 1.00 2.05 H new ATOM 1033 N PRO A 65 -9.808 7.618 -5.693 1.00 0.49 N ATOM 1034 CA PRO A 65 -10.181 8.816 -4.926 1.00 0.53 C ATOM 1035 C PRO A 65 -10.793 8.452 -3.573 1.00 0.44 C ATOM 1036 O PRO A 65 -10.966 9.303 -2.700 1.00 0.51 O ATOM 1037 CB PRO A 65 -11.226 9.511 -5.802 1.00 0.65 C ATOM 1038 CG PRO A 65 -11.063 8.932 -7.167 1.00 0.72 C ATOM 1039 CD PRO A 65 -10.497 7.552 -6.991 1.00 0.61 C ATOM 0 HA PRO A 65 -9.315 9.441 -4.708 1.00 0.53 H new ATOM 0 HB2 PRO A 65 -12.233 9.338 -5.422 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -11.071 10.590 -5.814 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -12.020 8.893 -7.687 1.00 0.72 H new ATOM 0 HG3 PRO A 65 -10.397 9.548 -7.771 1.00 0.72 H new ATOM 0 HD2 PRO A 65 -11.281 6.795 -6.989 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -9.809 7.296 -7.797 1.00 0.61 H new ATOM 1047 N GLY A 66 -11.126 7.178 -3.425 1.00 0.35 N ATOM 1048 CA GLY A 66 -11.735 6.690 -2.212 1.00 0.32 C ATOM 1049 C GLY A 66 -10.733 6.382 -1.112 1.00 0.25 C ATOM 1050 O GLY A 66 -10.935 6.777 0.035 1.00 0.27 O ATOM 0 H GLY A 66 -10.980 6.465 -4.140 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -12.446 7.432 -1.848 1.00 0.32 H new ATOM 0 HA3 GLY A 66 -12.303 5.788 -2.438 1.00 0.32 H new ATOM 1054 N ILE A 67 -9.666 5.651 -1.427 1.00 0.28 N ATOM 1055 CA ILE A 67 -8.681 5.323 -0.414 1.00 0.23 C ATOM 1056 C ILE A 67 -7.450 6.205 -0.521 1.00 0.24 C ATOM 1057 O ILE A 67 -6.872 6.359 -1.591 1.00 0.32 O ATOM 1058 CB ILE A 67 -8.276 3.851 -0.517 1.00 0.25 C ATOM 1059 CG1 ILE A 67 -9.534 2.997 -0.397 1.00 0.32 C ATOM 1060 CG2 ILE A 67 -7.261 3.483 0.559 1.00 0.21 C ATOM 1061 CD1 ILE A 67 -9.284 1.521 -0.502 1.00 0.34 C ATOM 0 H ILE A 67 -9.468 5.283 -2.358 1.00 0.28 H new ATOM 0 HA ILE A 67 -9.142 5.503 0.557 1.00 0.23 H new ATOM 0 HB ILE A 67 -7.797 3.670 -1.479 1.00 0.25 H new ATOM 0 HG12 ILE A 67 -10.013 3.207 0.560 1.00 0.32 H new ATOM 0 HG13 ILE A 67 -10.236 3.292 -1.176 1.00 0.32 H new ATOM 0 HG21 ILE A 67 -6.992 2.431 0.461 1.00 0.21 H new ATOM 0 HG22 ILE A 67 -6.369 4.098 0.443 1.00 0.21 H new ATOM 0 HG23 ILE A 67 -7.696 3.656 1.544 1.00 0.21 H new ATOM 0 HD11 ILE A 67 -10.228 0.984 -0.407 1.00 0.34 H new ATOM 0 HD12 ILE A 67 -8.835 1.296 -1.469 1.00 0.34 H new ATOM 0 HD13 ILE A 67 -8.608 1.209 0.294 1.00 0.34 H new ATOM 1073 N LEU A 68 -7.067 6.772 0.605 1.00 0.23 N ATOM 1074 CA LEU A 68 -5.886 7.613 0.688 1.00 0.29 C ATOM 1075 C LEU A 68 -4.740 6.801 1.278 1.00 0.28 C ATOM 1076 O LEU A 68 -4.963 5.947 2.136 1.00 0.41 O ATOM 1077 CB LEU A 68 -6.161 8.833 1.570 1.00 0.37 C ATOM 1078 CG LEU A 68 -7.467 9.580 1.277 1.00 0.40 C ATOM 1079 CD1 LEU A 68 -7.648 10.731 2.254 1.00 0.50 C ATOM 1080 CD2 LEU A 68 -7.494 10.091 -0.157 1.00 0.44 C ATOM 0 H LEU A 68 -7.564 6.664 1.489 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.621 7.960 -0.311 1.00 0.29 H new ATOM 0 HB2 LEU A 68 -6.173 8.511 2.611 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -5.331 9.532 1.462 1.00 0.37 H new ATOM 0 HG LEU A 68 -8.294 8.881 1.402 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -8.580 11.252 2.034 1.00 0.50 H new ATOM 0 HD12 LEU A 68 -7.682 10.342 3.272 1.00 0.50 H new ATOM 0 HD13 LEU A 68 -6.813 11.425 2.158 1.00 0.50 H new ATOM 0 HD21 LEU A 68 -8.431 10.617 -0.338 1.00 0.44 H new ATOM 0 HD22 LEU A 68 -6.659 10.773 -0.316 1.00 0.44 H new ATOM 0 HD23 LEU A 68 -7.411 9.249 -0.845 1.00 0.44 H new ATOM 1092 N VAL A 69 -3.525 7.048 0.821 1.00 0.25 N ATOM 1093 CA VAL A 69 -2.374 6.307 1.311 1.00 0.27 C ATOM 1094 C VAL A 69 -1.332 7.230 1.911 1.00 0.19 C ATOM 1095 O VAL A 69 -0.909 8.206 1.292 1.00 0.21 O ATOM 1096 CB VAL A 69 -1.736 5.443 0.199 1.00 0.44 C ATOM 1097 CG1 VAL A 69 -0.302 5.061 0.538 1.00 1.05 C ATOM 1098 CG2 VAL A 69 -2.562 4.191 -0.018 1.00 0.81 C ATOM 0 H VAL A 69 -3.309 7.752 0.115 1.00 0.25 H new ATOM 0 HA VAL A 69 -2.740 5.643 2.094 1.00 0.27 H new ATOM 0 HB VAL A 69 -1.718 6.036 -0.715 1.00 0.44 H new ATOM 0 HG11 VAL A 69 0.113 4.454 -0.267 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.297 5.964 0.657 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.287 4.491 1.467 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -2.107 3.587 -0.803 1.00 0.81 H new ATOM 0 HG22 VAL A 69 -2.600 3.616 0.907 1.00 0.81 H new ATOM 0 HG23 VAL A 69 -3.573 4.469 -0.315 1.00 0.81 H new ATOM 1108 N LEU A 70 -0.936 6.923 3.131 1.00 0.18 N ATOM 1109 CA LEU A 70 0.156 7.625 3.765 1.00 0.16 C ATOM 1110 C LEU A 70 1.459 6.940 3.427 1.00 0.15 C ATOM 1111 O LEU A 70 1.661 5.776 3.764 1.00 0.19 O ATOM 1112 CB LEU A 70 -0.010 7.673 5.284 1.00 0.22 C ATOM 1113 CG LEU A 70 -1.157 8.537 5.801 1.00 0.36 C ATOM 1114 CD1 LEU A 70 -1.110 8.618 7.320 1.00 0.95 C ATOM 1115 CD2 LEU A 70 -1.092 9.926 5.189 1.00 0.90 C ATOM 0 H LEU A 70 -1.357 6.190 3.702 1.00 0.18 H new ATOM 0 HA LEU A 70 0.158 8.649 3.392 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -0.155 6.655 5.647 1.00 0.22 H new ATOM 0 HB3 LEU A 70 0.920 8.038 5.721 1.00 0.22 H new ATOM 0 HG LEU A 70 -2.101 8.078 5.508 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -1.933 9.237 7.677 1.00 0.95 H new ATOM 0 HD12 LEU A 70 -1.200 7.617 7.741 1.00 0.95 H new ATOM 0 HD13 LEU A 70 -0.163 9.059 7.632 1.00 0.95 H new ATOM 0 HD21 LEU A 70 -1.917 10.530 5.568 1.00 0.90 H new ATOM 0 HD22 LEU A 70 -0.146 10.397 5.455 1.00 0.90 H new ATOM 0 HD23 LEU A 70 -1.167 9.850 4.104 1.00 0.90 H new ATOM 1127 N ILE A 71 2.323 7.648 2.734 1.00 0.14 N ATOM 1128 CA ILE A 71 3.674 7.181 2.536 1.00 0.17 C ATOM 1129 C ILE A 71 4.512 7.727 3.661 1.00 0.20 C ATOM 1130 O ILE A 71 4.641 8.945 3.795 1.00 0.24 O ATOM 1131 CB ILE A 71 4.276 7.623 1.189 1.00 0.20 C ATOM 1132 CG1 ILE A 71 3.393 7.147 0.034 1.00 0.18 C ATOM 1133 CG2 ILE A 71 5.696 7.077 1.052 1.00 0.28 C ATOM 1134 CD1 ILE A 71 3.422 5.656 -0.182 1.00 0.20 C ATOM 0 H ILE A 71 2.114 8.547 2.300 1.00 0.14 H new ATOM 0 HA ILE A 71 3.661 6.091 2.525 1.00 0.17 H new ATOM 0 HB ILE A 71 4.320 8.712 1.155 1.00 0.20 H new ATOM 0 HG12 ILE A 71 2.365 7.457 0.224 1.00 0.18 H new ATOM 0 HG13 ILE A 71 3.712 7.643 -0.883 1.00 0.18 H new ATOM 0 HG21 ILE A 71 6.117 7.393 0.097 1.00 0.28 H new ATOM 0 HG22 ILE A 71 6.313 7.460 1.865 1.00 0.28 H new ATOM 0 HG23 ILE A 71 5.673 5.988 1.096 1.00 0.28 H new ATOM 0 HD11 ILE A 71 2.772 5.397 -1.017 1.00 0.20 H new ATOM 0 HD12 ILE A 71 4.441 5.340 -0.404 1.00 0.20 H new ATOM 0 HD13 ILE A 71 3.074 5.151 0.719 1.00 0.20 H new ATOM 1146 N ASN A 72 5.008 6.824 4.503 1.00 0.22 N ATOM 1147 CA ASN A 72 5.779 7.183 5.695 1.00 0.28 C ATOM 1148 C ASN A 72 4.816 7.644 6.766 1.00 0.27 C ATOM 1149 O ASN A 72 4.720 7.040 7.829 1.00 0.31 O ATOM 1150 CB ASN A 72 6.803 8.309 5.444 1.00 0.41 C ATOM 1151 CG ASN A 72 7.662 8.145 4.203 1.00 1.04 C ATOM 1152 OD1 ASN A 72 7.943 6.920 3.812 1.00 1.94 O flip ATOM 1153 ND2 ASN A 72 8.072 9.134 3.600 1.00 1.33 N flip ATOM 0 H ASN A 72 4.887 5.819 4.379 1.00 0.22 H new ATOM 0 HA ASN A 72 6.339 6.298 5.996 1.00 0.28 H new ATOM 0 HB2 ASN A 72 6.266 9.255 5.371 1.00 0.41 H new ATOM 0 HB3 ASN A 72 7.459 8.381 6.312 1.00 0.41 H new ATOM 0 HD21 ASN A 72 7.834 10.069 3.932 1.00 1.33 H new ATOM 0 HD22 ASN A 72 8.650 9.020 2.767 1.00 1.33 H new ATOM 1160 N ASP A 73 4.118 8.724 6.438 1.00 0.26 N ATOM 1161 CA ASP A 73 3.080 9.322 7.274 1.00 0.29 C ATOM 1162 C ASP A 73 2.523 10.553 6.550 1.00 0.28 C ATOM 1163 O ASP A 73 1.927 11.441 7.154 1.00 0.36 O ATOM 1164 CB ASP A 73 3.659 9.716 8.639 1.00 0.36 C ATOM 1165 CG ASP A 73 2.626 10.274 9.601 1.00 0.62 C ATOM 1166 OD1 ASP A 73 1.718 9.520 10.013 1.00 1.03 O ATOM 1167 OD2 ASP A 73 2.697 11.476 9.927 1.00 0.65 O ATOM 0 H ASP A 73 4.261 9.223 5.560 1.00 0.26 H new ATOM 0 HA ASP A 73 2.279 8.603 7.445 1.00 0.29 H new ATOM 0 HB2 ASP A 73 4.129 8.842 9.091 1.00 0.36 H new ATOM 0 HB3 ASP A 73 4.443 10.458 8.491 1.00 0.36 H new ATOM 1172 N ALA A 74 2.691 10.581 5.231 1.00 0.27 N ATOM 1173 CA ALA A 74 2.374 11.771 4.452 1.00 0.29 C ATOM 1174 C ALA A 74 1.610 11.419 3.182 1.00 0.25 C ATOM 1175 O ALA A 74 1.493 10.247 2.823 1.00 0.20 O ATOM 1176 CB ALA A 74 3.652 12.524 4.110 1.00 0.33 C ATOM 0 H ALA A 74 3.043 9.797 4.682 1.00 0.27 H new ATOM 0 HA ALA A 74 1.732 12.410 5.058 1.00 0.29 H new ATOM 0 HB1 ALA A 74 3.406 13.412 3.528 1.00 0.33 H new ATOM 0 HB2 ALA A 74 4.156 12.821 5.029 1.00 0.33 H new ATOM 0 HB3 ALA A 74 4.310 11.879 3.528 1.00 0.33 H new ATOM 1182 N ASP A 75 1.102 12.445 2.508 1.00 0.30 N ATOM 1183 CA ASP A 75 0.308 12.263 1.294 1.00 0.29 C ATOM 1184 C ASP A 75 1.130 11.629 0.178 1.00 0.23 C ATOM 1185 O ASP A 75 2.044 12.245 -0.372 1.00 0.24 O ATOM 1186 CB ASP A 75 -0.281 13.598 0.826 1.00 0.36 C ATOM 1187 CG ASP A 75 -1.433 14.056 1.698 1.00 0.47 C ATOM 1188 OD1 ASP A 75 -1.181 14.498 2.841 1.00 0.62 O ATOM 1189 OD2 ASP A 75 -2.598 13.976 1.250 1.00 0.61 O ATOM 0 H ASP A 75 1.226 13.419 2.783 1.00 0.30 H new ATOM 0 HA ASP A 75 -0.509 11.584 1.537 1.00 0.29 H new ATOM 0 HB2 ASP A 75 0.500 14.359 0.831 1.00 0.36 H new ATOM 0 HB3 ASP A 75 -0.624 13.500 -0.204 1.00 0.36 H new ATOM 1194 N TRP A 76 0.778 10.389 -0.140 1.00 0.21 N ATOM 1195 CA TRP A 76 1.444 9.591 -1.167 1.00 0.17 C ATOM 1196 C TRP A 76 1.648 10.345 -2.483 1.00 0.16 C ATOM 1197 O TRP A 76 2.751 10.347 -3.036 1.00 0.14 O ATOM 1198 CB TRP A 76 0.623 8.319 -1.422 1.00 0.20 C ATOM 1199 CG TRP A 76 -0.682 8.549 -2.152 1.00 0.22 C ATOM 1200 CD1 TRP A 76 -1.012 8.034 -3.368 1.00 0.28 C ATOM 1201 CD2 TRP A 76 -1.812 9.358 -1.748 1.00 0.25 C ATOM 1202 NE1 TRP A 76 -2.250 8.471 -3.751 1.00 0.33 N ATOM 1203 CE2 TRP A 76 -2.766 9.274 -2.776 1.00 0.30 C ATOM 1204 CE3 TRP A 76 -2.111 10.140 -0.628 1.00 0.27 C ATOM 1205 CZ2 TRP A 76 -3.989 9.938 -2.720 1.00 0.34 C ATOM 1206 CZ3 TRP A 76 -3.325 10.796 -0.571 1.00 0.32 C ATOM 1207 CH2 TRP A 76 -4.251 10.690 -1.610 1.00 0.34 C ATOM 0 H TRP A 76 0.008 9.899 0.316 1.00 0.21 H new ATOM 0 HA TRP A 76 2.438 9.347 -0.792 1.00 0.17 H new ATOM 0 HB2 TRP A 76 1.229 7.621 -1.999 1.00 0.20 H new ATOM 0 HB3 TRP A 76 0.410 7.842 -0.466 1.00 0.20 H new ATOM 0 HD1 TRP A 76 -0.385 7.374 -3.948 1.00 0.28 H new ATOM 0 HE1 TRP A 76 -2.715 8.234 -4.628 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.402 10.230 0.182 1.00 0.27 H new ATOM 0 HZ2 TRP A 76 -4.705 9.861 -3.525 1.00 0.34 H new ATOM 0 HZ3 TRP A 76 -3.562 11.401 0.292 1.00 0.32 H new ATOM 0 HH2 TRP A 76 -5.193 11.213 -1.535 1.00 0.34 H new ATOM 1218 N GLU A 77 0.596 10.992 -2.967 1.00 0.19 N ATOM 1219 CA GLU A 77 0.595 11.586 -4.296 1.00 0.21 C ATOM 1220 C GLU A 77 1.607 12.721 -4.404 1.00 0.21 C ATOM 1221 O GLU A 77 2.067 13.054 -5.495 1.00 0.27 O ATOM 1222 CB GLU A 77 -0.801 12.107 -4.642 1.00 0.28 C ATOM 1223 CG GLU A 77 -1.373 13.053 -3.595 1.00 0.49 C ATOM 1224 CD GLU A 77 -2.606 13.785 -4.085 1.00 0.52 C ATOM 1225 OE1 GLU A 77 -3.717 13.225 -3.993 1.00 0.74 O ATOM 1226 OE2 GLU A 77 -2.470 14.925 -4.572 1.00 0.82 O ATOM 0 H GLU A 77 -0.275 11.119 -2.452 1.00 0.19 H new ATOM 0 HA GLU A 77 0.880 10.808 -5.004 1.00 0.21 H new ATOM 0 HB2 GLU A 77 -0.760 12.622 -5.602 1.00 0.28 H new ATOM 0 HB3 GLU A 77 -1.477 11.260 -4.763 1.00 0.28 H new ATOM 0 HG2 GLU A 77 -1.623 12.488 -2.697 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -0.612 13.780 -3.312 1.00 0.49 H new ATOM 1233 N LEU A 78 1.948 13.314 -3.270 1.00 0.24 N ATOM 1234 CA LEU A 78 2.877 14.432 -3.240 1.00 0.29 C ATOM 1235 C LEU A 78 4.304 13.931 -3.067 1.00 0.25 C ATOM 1236 O LEU A 78 5.265 14.675 -3.257 1.00 0.35 O ATOM 1237 CB LEU A 78 2.515 15.383 -2.096 1.00 0.47 C ATOM 1238 CG LEU A 78 1.081 15.920 -2.119 1.00 0.55 C ATOM 1239 CD1 LEU A 78 0.817 16.783 -0.898 1.00 1.12 C ATOM 1240 CD2 LEU A 78 0.828 16.712 -3.390 1.00 1.00 C ATOM 0 H LEU A 78 1.593 13.038 -2.355 1.00 0.24 H new ATOM 0 HA LEU A 78 2.807 14.969 -4.186 1.00 0.29 H new ATOM 0 HB2 LEU A 78 2.676 14.865 -1.151 1.00 0.47 H new ATOM 0 HB3 LEU A 78 3.202 16.229 -2.117 1.00 0.47 H new ATOM 0 HG LEU A 78 0.397 15.072 -2.099 1.00 0.55 H new ATOM 0 HD11 LEU A 78 -0.207 17.156 -0.931 1.00 1.12 H new ATOM 0 HD12 LEU A 78 0.958 16.189 0.005 1.00 1.12 H new ATOM 0 HD13 LEU A 78 1.510 17.624 -0.890 1.00 1.12 H new ATOM 0 HD21 LEU A 78 -0.196 17.085 -3.388 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.521 17.552 -3.439 1.00 1.00 H new ATOM 0 HD23 LEU A 78 0.978 16.067 -4.256 1.00 1.00 H new ATOM 1252 N LEU A 79 4.433 12.660 -2.721 1.00 0.20 N ATOM 1253 CA LEU A 79 5.730 12.092 -2.391 1.00 0.20 C ATOM 1254 C LEU A 79 6.269 11.186 -3.501 1.00 0.20 C ATOM 1255 O LEU A 79 7.479 11.116 -3.713 1.00 0.22 O ATOM 1256 CB LEU A 79 5.624 11.304 -1.080 1.00 0.22 C ATOM 1257 CG LEU A 79 5.946 12.086 0.198 1.00 0.38 C ATOM 1258 CD1 LEU A 79 4.981 13.244 0.398 1.00 0.79 C ATOM 1259 CD2 LEU A 79 5.919 11.157 1.400 1.00 0.75 C ATOM 0 H LEU A 79 3.656 12.002 -2.661 1.00 0.20 H new ATOM 0 HA LEU A 79 6.433 12.917 -2.279 1.00 0.20 H new ATOM 0 HB2 LEU A 79 4.611 10.910 -0.996 1.00 0.22 H new ATOM 0 HB3 LEU A 79 6.296 10.448 -1.138 1.00 0.22 H new ATOM 0 HG LEU A 79 6.947 12.504 0.095 1.00 0.38 H new ATOM 0 HD11 LEU A 79 5.238 13.777 1.313 1.00 0.79 H new ATOM 0 HD12 LEU A 79 5.049 13.925 -0.450 1.00 0.79 H new ATOM 0 HD13 LEU A 79 3.964 12.861 0.475 1.00 0.79 H new ATOM 0 HD21 LEU A 79 6.149 11.723 2.303 1.00 0.75 H new ATOM 0 HD22 LEU A 79 4.928 10.712 1.494 1.00 0.75 H new ATOM 0 HD23 LEU A 79 6.660 10.369 1.267 1.00 0.75 H new ATOM 1271 N GLY A 80 5.384 10.524 -4.237 1.00 0.20 N ATOM 1272 CA GLY A 80 5.836 9.605 -5.273 1.00 0.22 C ATOM 1273 C GLY A 80 4.930 8.399 -5.414 1.00 0.19 C ATOM 1274 O GLY A 80 4.935 7.735 -6.449 1.00 0.22 O ATOM 0 H GLY A 80 4.372 10.603 -4.140 1.00 0.20 H new ATOM 0 HA2 GLY A 80 5.885 10.132 -6.226 1.00 0.22 H new ATOM 0 HA3 GLY A 80 6.847 9.271 -5.042 1.00 0.22 H new ATOM 1278 N GLU A 81 4.171 8.119 -4.351 1.00 0.17 N ATOM 1279 CA GLU A 81 3.123 7.092 -4.337 1.00 0.20 C ATOM 1280 C GLU A 81 3.520 5.778 -5.040 1.00 0.16 C ATOM 1281 O GLU A 81 4.543 5.179 -4.712 1.00 0.17 O ATOM 1282 CB GLU A 81 1.812 7.659 -4.906 1.00 0.33 C ATOM 1283 CG GLU A 81 1.975 8.477 -6.177 1.00 0.48 C ATOM 1284 CD GLU A 81 0.659 8.894 -6.796 1.00 0.38 C ATOM 1285 OE1 GLU A 81 -0.373 8.263 -6.499 1.00 0.58 O ATOM 1286 OE2 GLU A 81 0.657 9.864 -7.584 1.00 0.41 O ATOM 0 H GLU A 81 4.268 8.607 -3.461 1.00 0.17 H new ATOM 0 HA GLU A 81 2.974 6.821 -3.292 1.00 0.20 H new ATOM 0 HB2 GLU A 81 1.131 6.832 -5.107 1.00 0.33 H new ATOM 0 HB3 GLU A 81 1.341 8.283 -4.146 1.00 0.33 H new ATOM 0 HG2 GLU A 81 2.562 9.368 -5.954 1.00 0.48 H new ATOM 0 HG3 GLU A 81 2.542 7.896 -6.904 1.00 0.48 H new ATOM 1293 N LEU A 82 2.692 5.358 -6.000 1.00 0.16 N ATOM 1294 CA LEU A 82 2.762 4.041 -6.647 1.00 0.18 C ATOM 1295 C LEU A 82 4.184 3.550 -6.966 1.00 0.16 C ATOM 1296 O LEU A 82 4.575 2.465 -6.538 1.00 0.20 O ATOM 1297 CB LEU A 82 1.932 4.043 -7.941 1.00 0.24 C ATOM 1298 CG LEU A 82 2.469 4.887 -9.108 1.00 0.28 C ATOM 1299 CD1 LEU A 82 1.638 4.653 -10.357 1.00 1.06 C ATOM 1300 CD2 LEU A 82 2.472 6.364 -8.754 1.00 1.19 C ATOM 0 H LEU A 82 1.934 5.938 -6.360 1.00 0.16 H new ATOM 0 HA LEU A 82 2.356 3.344 -5.914 1.00 0.18 H new ATOM 0 HB2 LEU A 82 1.835 3.013 -8.284 1.00 0.24 H new ATOM 0 HB3 LEU A 82 0.929 4.395 -7.701 1.00 0.24 H new ATOM 0 HG LEU A 82 3.496 4.578 -9.303 1.00 0.28 H new ATOM 0 HD11 LEU A 82 2.031 5.258 -11.174 1.00 1.06 H new ATOM 0 HD12 LEU A 82 1.683 3.599 -10.632 1.00 1.06 H new ATOM 0 HD13 LEU A 82 0.603 4.934 -10.163 1.00 1.06 H new ATOM 0 HD21 LEU A 82 2.856 6.939 -9.596 1.00 1.19 H new ATOM 0 HD22 LEU A 82 1.455 6.686 -8.528 1.00 1.19 H new ATOM 0 HD23 LEU A 82 3.106 6.528 -7.883 1.00 1.19 H new ATOM 1312 N ASP A 83 4.971 4.339 -7.685 1.00 0.20 N ATOM 1313 CA ASP A 83 6.224 3.826 -8.236 1.00 0.24 C ATOM 1314 C ASP A 83 7.406 4.157 -7.332 1.00 0.26 C ATOM 1315 O ASP A 83 8.555 4.223 -7.776 1.00 0.56 O ATOM 1316 CB ASP A 83 6.451 4.349 -9.661 1.00 0.34 C ATOM 1317 CG ASP A 83 6.833 5.814 -9.729 1.00 1.21 C ATOM 1318 OD1 ASP A 83 5.987 6.661 -9.366 1.00 2.00 O ATOM 1319 OD2 ASP A 83 7.982 6.124 -10.107 1.00 1.72 O ATOM 0 H ASP A 83 4.773 5.317 -7.899 1.00 0.20 H new ATOM 0 HA ASP A 83 6.145 2.740 -8.286 1.00 0.24 H new ATOM 0 HB2 ASP A 83 7.236 3.758 -10.133 1.00 0.34 H new ATOM 0 HB3 ASP A 83 5.542 4.194 -10.242 1.00 0.34 H new ATOM 1324 N TYR A 84 7.109 4.330 -6.055 1.00 0.21 N ATOM 1325 CA TYR A 84 8.121 4.554 -5.042 1.00 0.19 C ATOM 1326 C TYR A 84 9.123 3.413 -4.989 1.00 0.21 C ATOM 1327 O TYR A 84 8.742 2.254 -4.887 1.00 0.33 O ATOM 1328 CB TYR A 84 7.459 4.677 -3.676 1.00 0.19 C ATOM 1329 CG TYR A 84 7.623 6.026 -3.047 1.00 0.19 C ATOM 1330 CD1 TYR A 84 8.881 6.571 -2.850 1.00 0.24 C ATOM 1331 CD2 TYR A 84 6.517 6.760 -2.660 1.00 0.19 C ATOM 1332 CE1 TYR A 84 9.034 7.814 -2.280 1.00 0.28 C ATOM 1333 CE2 TYR A 84 6.655 8.005 -2.094 1.00 0.21 C ATOM 1334 CZ TYR A 84 7.944 8.509 -1.867 1.00 0.25 C ATOM 1335 OH TYR A 84 8.037 9.784 -1.356 1.00 0.30 O ATOM 0 H TYR A 84 6.156 4.319 -5.693 1.00 0.21 H new ATOM 0 HA TYR A 84 8.648 5.472 -5.301 1.00 0.19 H new ATOM 0 HB2 TYR A 84 6.396 4.460 -3.777 1.00 0.19 H new ATOM 0 HB3 TYR A 84 7.877 3.922 -3.010 1.00 0.19 H new ATOM 0 HD1 TYR A 84 9.755 6.012 -3.148 1.00 0.24 H new ATOM 0 HD2 TYR A 84 5.529 6.349 -2.805 1.00 0.19 H new ATOM 0 HE1 TYR A 84 10.021 8.236 -2.161 1.00 0.28 H new ATOM 0 HE2 TYR A 84 5.784 8.586 -1.828 1.00 0.21 H new ATOM 0 HH TYR A 84 7.886 9.760 -0.388 1.00 0.30 H new ATOM 1345 N GLN A 85 10.403 3.754 -5.015 1.00 0.27 N ATOM 1346 CA GLN A 85 11.469 2.772 -4.822 1.00 0.28 C ATOM 1347 C GLN A 85 11.647 2.491 -3.330 1.00 0.24 C ATOM 1348 O GLN A 85 12.662 1.950 -2.901 1.00 0.28 O ATOM 1349 CB GLN A 85 12.788 3.272 -5.438 1.00 0.40 C ATOM 1350 CG GLN A 85 13.465 4.430 -4.695 1.00 0.70 C ATOM 1351 CD GLN A 85 12.580 5.652 -4.535 1.00 0.77 C ATOM 1352 OE1 GLN A 85 12.522 6.517 -5.406 1.00 1.74 O ATOM 1353 NE2 GLN A 85 11.902 5.747 -3.402 1.00 0.74 N ATOM 0 H GLN A 85 10.733 4.707 -5.168 1.00 0.27 H new ATOM 0 HA GLN A 85 11.191 1.847 -5.327 1.00 0.28 H new ATOM 0 HB2 GLN A 85 13.486 2.436 -5.486 1.00 0.40 H new ATOM 0 HB3 GLN A 85 12.594 3.585 -6.464 1.00 0.40 H new ATOM 0 HG2 GLN A 85 13.775 4.085 -3.709 1.00 0.70 H new ATOM 0 HG3 GLN A 85 14.370 4.715 -5.232 1.00 0.70 H new ATOM 0 HE21 GLN A 85 11.974 5.010 -2.701 1.00 0.74 H new ATOM 0 HE22 GLN A 85 11.307 6.558 -3.230 1.00 0.74 H new ATOM 1362 N LEU A 86 10.610 2.847 -2.567 1.00 0.22 N ATOM 1363 CA LEU A 86 10.590 2.727 -1.104 1.00 0.24 C ATOM 1364 C LEU A 86 11.646 3.596 -0.427 1.00 0.30 C ATOM 1365 O LEU A 86 12.645 3.986 -1.033 1.00 0.34 O ATOM 1366 CB LEU A 86 10.741 1.262 -0.660 1.00 0.25 C ATOM 1367 CG LEU A 86 9.545 0.369 -0.963 1.00 0.29 C ATOM 1368 CD1 LEU A 86 8.264 1.020 -0.470 1.00 0.75 C ATOM 1369 CD2 LEU A 86 9.475 0.068 -2.444 1.00 0.86 C ATOM 0 H LEU A 86 9.748 3.232 -2.952 1.00 0.22 H new ATOM 0 HA LEU A 86 9.614 3.093 -0.783 1.00 0.24 H new ATOM 0 HB2 LEU A 86 11.622 0.841 -1.145 1.00 0.25 H new ATOM 0 HB3 LEU A 86 10.928 1.241 0.414 1.00 0.25 H new ATOM 0 HG LEU A 86 9.666 -0.577 -0.435 1.00 0.29 H new ATOM 0 HD11 LEU A 86 7.417 0.371 -0.693 1.00 0.75 H new ATOM 0 HD12 LEU A 86 8.327 1.177 0.607 1.00 0.75 H new ATOM 0 HD13 LEU A 86 8.128 1.979 -0.970 1.00 0.75 H new ATOM 0 HD21 LEU A 86 8.615 -0.571 -2.645 1.00 0.86 H new ATOM 0 HD22 LEU A 86 9.373 1.000 -3.000 1.00 0.86 H new ATOM 0 HD23 LEU A 86 10.387 -0.442 -2.755 1.00 0.86 H new ATOM 1381 N GLN A 87 11.370 3.950 0.818 1.00 0.39 N ATOM 1382 CA GLN A 87 12.328 4.635 1.665 1.00 0.51 C ATOM 1383 C GLN A 87 12.462 3.830 2.952 1.00 0.76 C ATOM 1384 O GLN A 87 11.828 2.783 3.094 1.00 1.74 O ATOM 1385 CB GLN A 87 11.877 6.076 1.962 1.00 0.46 C ATOM 1386 CG GLN A 87 11.314 6.805 0.751 1.00 0.86 C ATOM 1387 CD GLN A 87 9.793 6.834 0.730 1.00 0.65 C ATOM 1388 OE1 GLN A 87 9.171 7.776 1.213 1.00 1.18 O ATOM 1389 NE2 GLN A 87 9.181 5.795 0.179 1.00 0.48 N ATOM 0 H GLN A 87 10.473 3.769 1.269 1.00 0.39 H new ATOM 0 HA GLN A 87 13.291 4.706 1.160 1.00 0.51 H new ATOM 0 HB2 GLN A 87 11.120 6.056 2.746 1.00 0.46 H new ATOM 0 HB3 GLN A 87 12.725 6.639 2.352 1.00 0.46 H new ATOM 0 HG2 GLN A 87 11.692 7.827 0.741 1.00 0.86 H new ATOM 0 HG3 GLN A 87 11.675 6.323 -0.157 1.00 0.86 H new ATOM 0 HE21 GLN A 87 9.729 5.029 -0.213 1.00 0.48 H new ATOM 0 HE22 GLN A 87 8.162 5.761 0.147 1.00 0.48 H new ATOM 1398 N ASP A 88 13.268 4.279 3.887 1.00 0.43 N ATOM 1399 CA ASP A 88 13.495 3.486 5.083 1.00 0.40 C ATOM 1400 C ASP A 88 12.456 3.792 6.159 1.00 0.32 C ATOM 1401 O ASP A 88 12.206 4.951 6.491 1.00 0.36 O ATOM 1402 CB ASP A 88 14.921 3.679 5.617 1.00 0.56 C ATOM 1403 CG ASP A 88 15.161 5.038 6.252 1.00 1.40 C ATOM 1404 OD1 ASP A 88 15.388 6.018 5.507 1.00 2.44 O ATOM 1405 OD2 ASP A 88 15.150 5.125 7.499 1.00 1.53 O ATOM 0 H ASP A 88 13.769 5.167 3.850 1.00 0.43 H new ATOM 0 HA ASP A 88 13.384 2.437 4.807 1.00 0.40 H new ATOM 0 HB2 ASP A 88 15.131 2.903 6.353 1.00 0.56 H new ATOM 0 HB3 ASP A 88 15.627 3.542 4.798 1.00 0.56 H new ATOM 1410 N GLN A 89 11.839 2.723 6.673 1.00 0.31 N ATOM 1411 CA GLN A 89 10.835 2.805 7.738 1.00 0.34 C ATOM 1412 C GLN A 89 9.550 3.473 7.254 1.00 0.34 C ATOM 1413 O GLN A 89 8.872 4.162 8.024 1.00 0.42 O ATOM 1414 CB GLN A 89 11.385 3.543 8.965 1.00 0.40 C ATOM 1415 CG GLN A 89 12.489 2.792 9.694 1.00 0.62 C ATOM 1416 CD GLN A 89 12.082 1.386 10.084 1.00 0.77 C ATOM 1417 OE1 GLN A 89 11.501 1.166 11.149 1.00 1.56 O ATOM 1418 NE2 GLN A 89 12.407 0.418 9.241 1.00 0.71 N ATOM 0 H GLN A 89 12.024 1.770 6.359 1.00 0.31 H new ATOM 0 HA GLN A 89 10.595 1.782 8.027 1.00 0.34 H new ATOM 0 HB2 GLN A 89 11.766 4.515 8.651 1.00 0.40 H new ATOM 0 HB3 GLN A 89 10.567 3.731 9.660 1.00 0.40 H new ATOM 0 HG2 GLN A 89 13.373 2.746 9.058 1.00 0.62 H new ATOM 0 HG3 GLN A 89 12.769 3.346 10.590 1.00 0.62 H new ATOM 0 HE21 GLN A 89 12.888 0.641 8.369 1.00 0.71 H new ATOM 0 HE22 GLN A 89 12.177 -0.550 9.463 1.00 0.71 H new ATOM 1427 N ASP A 90 9.191 3.233 5.998 1.00 0.30 N ATOM 1428 CA ASP A 90 7.970 3.800 5.435 1.00 0.34 C ATOM 1429 C ASP A 90 6.756 3.175 6.084 1.00 0.32 C ATOM 1430 O ASP A 90 6.580 1.958 6.031 1.00 0.45 O ATOM 1431 CB ASP A 90 7.864 3.557 3.925 1.00 0.45 C ATOM 1432 CG ASP A 90 9.020 4.082 3.142 1.00 0.75 C ATOM 1433 OD1 ASP A 90 9.790 4.871 3.716 1.00 1.17 O ATOM 1434 OD2 ASP A 90 9.180 3.683 1.976 1.00 1.06 O ATOM 0 H ASP A 90 9.725 2.652 5.352 1.00 0.30 H new ATOM 0 HA ASP A 90 8.010 4.873 5.625 1.00 0.34 H new ATOM 0 HB2 ASP A 90 7.774 2.486 3.746 1.00 0.45 H new ATOM 0 HB3 ASP A 90 6.949 4.020 3.556 1.00 0.45 H new ATOM 1439 N SER A 91 5.921 3.984 6.703 1.00 0.23 N ATOM 1440 CA SER A 91 4.666 3.512 7.170 1.00 0.21 C ATOM 1441 C SER A 91 3.623 3.763 6.104 1.00 0.17 C ATOM 1442 O SER A 91 3.123 4.875 5.955 1.00 0.17 O ATOM 1443 CB SER A 91 4.326 4.226 8.451 1.00 0.25 C ATOM 1444 OG SER A 91 5.105 3.740 9.533 1.00 1.14 O ATOM 0 H SER A 91 6.104 4.971 6.887 1.00 0.23 H new ATOM 0 HA SER A 91 4.701 2.441 7.371 1.00 0.21 H new ATOM 0 HB2 SER A 91 4.495 5.296 8.330 1.00 0.25 H new ATOM 0 HB3 SER A 91 3.267 4.094 8.674 1.00 0.25 H new ATOM 0 HG SER A 91 4.865 4.222 10.352 1.00 1.14 H new ATOM 1450 N ILE A 92 3.354 2.737 5.331 1.00 0.17 N ATOM 1451 CA ILE A 92 2.422 2.832 4.228 1.00 0.15 C ATOM 1452 C ILE A 92 1.043 2.415 4.703 1.00 0.14 C ATOM 1453 O ILE A 92 0.798 1.238 4.982 1.00 0.17 O ATOM 1454 CB ILE A 92 2.845 1.944 3.037 1.00 0.17 C ATOM 1455 CG1 ILE A 92 4.337 2.119 2.728 1.00 0.19 C ATOM 1456 CG2 ILE A 92 2.010 2.263 1.806 1.00 0.19 C ATOM 1457 CD1 ILE A 92 4.757 3.557 2.506 1.00 0.21 C ATOM 0 H ILE A 92 3.773 1.814 5.447 1.00 0.17 H new ATOM 0 HA ILE A 92 2.412 3.866 3.884 1.00 0.15 H new ATOM 0 HB ILE A 92 2.671 0.904 3.314 1.00 0.17 H new ATOM 0 HG12 ILE A 92 4.919 1.705 3.551 1.00 0.19 H new ATOM 0 HG13 ILE A 92 4.584 1.538 1.839 1.00 0.19 H new ATOM 0 HG21 ILE A 92 2.324 1.627 0.979 1.00 0.19 H new ATOM 0 HG22 ILE A 92 0.957 2.082 2.024 1.00 0.19 H new ATOM 0 HG23 ILE A 92 2.150 3.309 1.533 1.00 0.19 H new ATOM 0 HD11 ILE A 92 5.825 3.595 2.293 1.00 0.21 H new ATOM 0 HD12 ILE A 92 4.204 3.972 1.663 1.00 0.21 H new ATOM 0 HD13 ILE A 92 4.544 4.141 3.402 1.00 0.21 H new ATOM 1469 N LEU A 93 0.161 3.381 4.820 1.00 0.13 N ATOM 1470 CA LEU A 93 -1.150 3.142 5.381 1.00 0.14 C ATOM 1471 C LEU A 93 -2.228 3.400 4.337 1.00 0.14 C ATOM 1472 O LEU A 93 -2.252 4.458 3.709 1.00 0.19 O ATOM 1473 CB LEU A 93 -1.355 4.052 6.595 1.00 0.18 C ATOM 1474 CG LEU A 93 -2.124 3.428 7.760 1.00 0.32 C ATOM 1475 CD1 LEU A 93 -2.555 4.487 8.760 1.00 0.63 C ATOM 1476 CD2 LEU A 93 -3.326 2.668 7.254 1.00 0.56 C ATOM 0 H LEU A 93 0.329 4.345 4.532 1.00 0.13 H new ATOM 0 HA LEU A 93 -1.223 2.101 5.696 1.00 0.14 H new ATOM 0 HB2 LEU A 93 -0.378 4.372 6.957 1.00 0.18 H new ATOM 0 HB3 LEU A 93 -1.884 4.948 6.271 1.00 0.18 H new ATOM 0 HG LEU A 93 -1.456 2.732 8.268 1.00 0.32 H new ATOM 0 HD11 LEU A 93 -3.100 4.015 9.578 1.00 0.63 H new ATOM 0 HD12 LEU A 93 -1.675 4.994 9.155 1.00 0.63 H new ATOM 0 HD13 LEU A 93 -3.200 5.213 8.266 1.00 0.63 H new ATOM 0 HD21 LEU A 93 -3.861 2.231 8.097 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -3.987 3.348 6.718 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -2.999 1.875 6.581 1.00 0.56 H new ATOM 1488 N PHE A 94 -3.112 2.427 4.151 1.00 0.13 N ATOM 1489 CA PHE A 94 -4.243 2.585 3.249 1.00 0.14 C ATOM 1490 C PHE A 94 -5.499 2.950 4.044 1.00 0.13 C ATOM 1491 O PHE A 94 -6.015 2.141 4.817 1.00 0.15 O ATOM 1492 CB PHE A 94 -4.485 1.284 2.468 1.00 0.18 C ATOM 1493 CG PHE A 94 -3.363 0.900 1.540 1.00 0.21 C ATOM 1494 CD1 PHE A 94 -2.137 0.501 2.050 1.00 0.27 C ATOM 1495 CD2 PHE A 94 -3.528 0.944 0.164 1.00 0.26 C ATOM 1496 CE1 PHE A 94 -1.100 0.150 1.205 1.00 0.32 C ATOM 1497 CE2 PHE A 94 -2.496 0.594 -0.685 1.00 0.31 C ATOM 1498 CZ PHE A 94 -1.302 0.184 -0.185 1.00 0.33 C ATOM 0 H PHE A 94 -3.066 1.519 4.614 1.00 0.13 H new ATOM 0 HA PHE A 94 -4.019 3.386 2.544 1.00 0.14 H new ATOM 0 HB2 PHE A 94 -4.647 0.473 3.178 1.00 0.18 H new ATOM 0 HB3 PHE A 94 -5.402 1.388 1.887 1.00 0.18 H new ATOM 0 HD1 PHE A 94 -1.990 0.464 3.119 1.00 0.27 H new ATOM 0 HD2 PHE A 94 -4.476 1.256 -0.249 1.00 0.26 H new ATOM 0 HE1 PHE A 94 -0.144 -0.147 1.610 1.00 0.32 H new ATOM 0 HE2 PHE A 94 -2.640 0.647 -1.754 1.00 0.31 H new ATOM 0 HZ PHE A 94 -0.509 -0.115 -0.854 1.00 0.33 H new ATOM 1508 N ILE A 95 -6.009 4.153 3.830 1.00 0.13 N ATOM 1509 CA ILE A 95 -7.176 4.624 4.562 1.00 0.17 C ATOM 1510 C ILE A 95 -8.322 4.905 3.606 1.00 0.18 C ATOM 1511 O ILE A 95 -8.285 5.869 2.846 1.00 0.20 O ATOM 1512 CB ILE A 95 -6.896 5.913 5.382 1.00 0.26 C ATOM 1513 CG1 ILE A 95 -5.740 5.718 6.367 1.00 0.27 C ATOM 1514 CG2 ILE A 95 -8.148 6.346 6.133 1.00 0.35 C ATOM 1515 CD1 ILE A 95 -4.372 5.858 5.739 1.00 1.16 C ATOM 0 H ILE A 95 -5.634 4.821 3.156 1.00 0.13 H new ATOM 0 HA ILE A 95 -7.438 3.827 5.258 1.00 0.17 H new ATOM 0 HB ILE A 95 -6.609 6.693 4.677 1.00 0.26 H new ATOM 0 HG12 ILE A 95 -5.835 6.445 7.173 1.00 0.27 H new ATOM 0 HG13 ILE A 95 -5.823 4.729 6.818 1.00 0.27 H new ATOM 0 HG21 ILE A 95 -7.936 7.251 6.703 1.00 0.35 H new ATOM 0 HG22 ILE A 95 -8.949 6.545 5.421 1.00 0.35 H new ATOM 0 HG23 ILE A 95 -8.457 5.552 6.814 1.00 0.35 H new ATOM 0 HD11 ILE A 95 -3.606 5.707 6.499 1.00 1.16 H new ATOM 0 HD12 ILE A 95 -4.255 5.113 4.952 1.00 1.16 H new ATOM 0 HD13 ILE A 95 -4.268 6.856 5.312 1.00 1.16 H new ATOM 1527 N SER A 96 -9.332 4.055 3.625 1.00 0.20 N ATOM 1528 CA SER A 96 -10.512 4.304 2.831 1.00 0.24 C ATOM 1529 C SER A 96 -11.328 5.400 3.490 1.00 0.28 C ATOM 1530 O SER A 96 -11.819 5.233 4.607 1.00 0.35 O ATOM 1531 CB SER A 96 -11.339 3.029 2.682 1.00 0.31 C ATOM 1532 OG SER A 96 -12.418 3.217 1.779 1.00 0.37 O ATOM 0 H SER A 96 -9.356 3.197 4.176 1.00 0.20 H new ATOM 0 HA SER A 96 -10.217 4.625 1.832 1.00 0.24 H new ATOM 0 HB2 SER A 96 -10.702 2.219 2.327 1.00 0.31 H new ATOM 0 HB3 SER A 96 -11.725 2.727 3.656 1.00 0.31 H new ATOM 0 HG SER A 96 -12.929 2.384 1.702 1.00 0.37 H new ATOM 1538 N THR A 97 -11.460 6.525 2.807 1.00 0.27 N ATOM 1539 CA THR A 97 -12.159 7.658 3.372 1.00 0.36 C ATOM 1540 C THR A 97 -13.617 7.657 2.926 1.00 0.48 C ATOM 1541 O THR A 97 -14.381 8.564 3.256 1.00 0.58 O ATOM 1542 CB THR A 97 -11.481 9.002 3.002 1.00 0.34 C ATOM 1543 OG1 THR A 97 -12.016 10.059 3.813 1.00 0.43 O ATOM 1544 CG2 THR A 97 -11.679 9.345 1.530 1.00 0.35 C ATOM 0 H THR A 97 -11.094 6.674 1.867 1.00 0.27 H new ATOM 0 HA THR A 97 -12.117 7.560 4.457 1.00 0.36 H new ATOM 0 HB THR A 97 -10.412 8.895 3.186 1.00 0.34 H new ATOM 0 HG1 THR A 97 -12.991 9.974 3.860 1.00 0.43 H new ATOM 0 HG21 THR A 97 -11.190 10.294 1.308 1.00 0.35 H new ATOM 0 HG22 THR A 97 -11.244 8.560 0.912 1.00 0.35 H new ATOM 0 HG23 THR A 97 -12.745 9.428 1.316 1.00 0.35 H new