USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=10 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 84 TYR OH : rot -50:sc= -3.5! USER MOD Set 1.2: A 87 GLN : amide:sc= 1.04 K(o=-2.5,f=-3.3) USER MOD Set 2.1: A 6 CYS SG : rot 37:sc= 1.23 USER MOD Set 2.2: A 26 GLN : amide:sc= -0.539 K(o=0.69,f=1.2) USER MOD Set 3.1: A 8 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.1) USER MOD Set 3.2: A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 141:sc= 0.779 (180deg=-0.823!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.0546 X(o=-0.055,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.31 K(o=-0.31,f=-2.2!) USER MOD Single : A 46 LYS NZ :NH3+ 167:sc=-0.00529 (180deg=-0.292) USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= -0.0412 (180deg=-0.338) USER MOD Single : A 48 ASN : amide:sc= -0.115 K(o=-0.12,f=-2.4!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.62) USER MOD Single : A 62 SER OG : rot -164:sc= 0.158 USER MOD Single : A 72 ASN : amide:sc= -1.01! X(o=-1!,f=-1.1) USER MOD Single : A 85 GLN : amide:sc= -3.98! K(o=-4!,f=-0.092) USER MOD Single : A 89 GLN : amide:sc= 0.533 K(o=0.53,f=-0.23) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -39:sc= 0.176 USER MOD ----------------------------------------------------------------- ATOM 48 N LEU A 5 16.647 -1.787 3.694 1.00 0.43 N ATOM 49 CA LEU A 5 15.629 -1.023 4.391 1.00 0.45 C ATOM 50 C LEU A 5 14.342 -1.829 4.401 1.00 0.37 C ATOM 51 O LEU A 5 14.167 -2.723 3.577 1.00 0.42 O ATOM 52 CB LEU A 5 15.394 0.340 3.714 1.00 0.52 C ATOM 53 CG LEU A 5 14.653 0.310 2.366 1.00 0.60 C ATOM 54 CD1 LEU A 5 14.364 1.721 1.886 1.00 1.28 C ATOM 55 CD2 LEU A 5 15.452 -0.436 1.311 1.00 1.27 C ATOM 0 HA LEU A 5 15.962 -0.831 5.411 1.00 0.45 H new ATOM 0 HB2 LEU A 5 14.830 0.971 4.401 1.00 0.52 H new ATOM 0 HB3 LEU A 5 16.361 0.819 3.563 1.00 0.52 H new ATOM 0 HG LEU A 5 13.712 -0.217 2.521 1.00 0.60 H new ATOM 0 HD11 LEU A 5 13.840 1.680 0.931 1.00 1.28 H new ATOM 0 HD12 LEU A 5 13.743 2.235 2.620 1.00 1.28 H new ATOM 0 HD13 LEU A 5 15.302 2.262 1.762 1.00 1.28 H new ATOM 0 HD21 LEU A 5 14.900 -0.439 0.371 1.00 1.27 H new ATOM 0 HD22 LEU A 5 16.413 0.057 1.166 1.00 1.27 H new ATOM 0 HD23 LEU A 5 15.617 -1.463 1.638 1.00 1.27 H new ATOM 67 N CYS A 6 13.447 -1.531 5.318 1.00 0.34 N ATOM 68 CA CYS A 6 12.207 -2.275 5.404 1.00 0.31 C ATOM 69 C CYS A 6 11.027 -1.334 5.551 1.00 0.24 C ATOM 70 O CYS A 6 11.105 -0.324 6.255 1.00 0.27 O ATOM 71 CB CYS A 6 12.270 -3.270 6.561 1.00 0.40 C ATOM 72 SG CYS A 6 10.758 -4.228 6.813 1.00 1.35 S ATOM 0 H CYS A 6 13.551 -0.787 6.008 1.00 0.34 H new ATOM 0 HA CYS A 6 12.069 -2.836 4.480 1.00 0.31 H new ATOM 0 HB2 CYS A 6 13.096 -3.959 6.386 1.00 0.40 H new ATOM 0 HB3 CYS A 6 12.497 -2.727 7.478 1.00 0.40 H new ATOM 0 HG CYS A 6 10.225 -4.508 5.661 1.00 1.35 H new ATOM 78 N VAL A 7 9.941 -1.666 4.869 1.00 0.24 N ATOM 79 CA VAL A 7 8.760 -0.824 4.855 1.00 0.25 C ATOM 80 C VAL A 7 7.557 -1.597 5.387 1.00 0.25 C ATOM 81 O VAL A 7 7.511 -2.830 5.310 1.00 0.31 O ATOM 82 CB VAL A 7 8.470 -0.294 3.428 1.00 0.28 C ATOM 83 CG1 VAL A 7 9.713 0.359 2.842 1.00 0.64 C ATOM 84 CG2 VAL A 7 7.970 -1.405 2.515 1.00 0.61 C ATOM 0 H VAL A 7 9.856 -2.519 4.316 1.00 0.24 H new ATOM 0 HA VAL A 7 8.946 0.033 5.502 1.00 0.25 H new ATOM 0 HB VAL A 7 7.682 0.455 3.503 1.00 0.28 H new ATOM 0 HG11 VAL A 7 9.493 0.726 1.840 1.00 0.64 H new ATOM 0 HG12 VAL A 7 10.019 1.192 3.475 1.00 0.64 H new ATOM 0 HG13 VAL A 7 10.519 -0.373 2.791 1.00 0.64 H new ATOM 0 HG21 VAL A 7 7.776 -1.000 1.522 1.00 0.61 H new ATOM 0 HG22 VAL A 7 8.726 -2.187 2.447 1.00 0.61 H new ATOM 0 HG23 VAL A 7 7.050 -1.824 2.922 1.00 0.61 H new ATOM 94 N LYS A 8 6.602 -0.880 5.947 1.00 0.26 N ATOM 95 CA LYS A 8 5.417 -1.501 6.506 1.00 0.28 C ATOM 96 C LYS A 8 4.191 -1.156 5.676 1.00 0.28 C ATOM 97 O LYS A 8 3.990 -0.005 5.297 1.00 0.38 O ATOM 98 CB LYS A 8 5.193 -1.040 7.949 1.00 0.35 C ATOM 99 CG LYS A 8 4.028 -1.743 8.631 1.00 0.61 C ATOM 100 CD LYS A 8 3.596 -1.033 9.904 1.00 0.86 C ATOM 101 CE LYS A 8 2.954 0.314 9.610 1.00 1.08 C ATOM 102 NZ LYS A 8 2.347 0.919 10.824 1.00 1.61 N ATOM 0 H LYS A 8 6.624 0.137 6.027 1.00 0.26 H new ATOM 0 HA LYS A 8 5.570 -2.580 6.494 1.00 0.28 H new ATOM 0 HB2 LYS A 8 6.102 -1.216 8.525 1.00 0.35 H new ATOM 0 HB3 LYS A 8 5.014 0.035 7.956 1.00 0.35 H new ATOM 0 HG2 LYS A 8 3.185 -1.797 7.943 1.00 0.61 H new ATOM 0 HG3 LYS A 8 4.312 -2.768 8.867 1.00 0.61 H new ATOM 0 HD2 LYS A 8 2.891 -1.661 10.449 1.00 0.86 H new ATOM 0 HD3 LYS A 8 4.461 -0.890 10.552 1.00 0.86 H new ATOM 0 HE2 LYS A 8 3.704 0.992 9.204 1.00 1.08 H new ATOM 0 HE3 LYS A 8 2.188 0.191 8.845 1.00 1.08 H new ATOM 0 HZ1 LYS A 8 1.996 1.872 10.599 1.00 1.61 H new ATOM 0 HZ2 LYS A 8 1.556 0.326 11.149 1.00 1.61 H new ATOM 0 HZ3 LYS A 8 3.063 0.983 11.575 1.00 1.61 H new ATOM 116 N VAL A 9 3.378 -2.162 5.410 1.00 0.25 N ATOM 117 CA VAL A 9 2.099 -1.970 4.750 1.00 0.26 C ATOM 118 C VAL A 9 0.988 -2.172 5.772 1.00 0.23 C ATOM 119 O VAL A 9 1.018 -3.138 6.526 1.00 0.27 O ATOM 120 CB VAL A 9 1.918 -2.964 3.582 1.00 0.30 C ATOM 121 CG1 VAL A 9 0.529 -2.842 2.976 1.00 0.89 C ATOM 122 CG2 VAL A 9 2.988 -2.741 2.522 1.00 0.77 C ATOM 0 H VAL A 9 3.585 -3.133 5.645 1.00 0.25 H new ATOM 0 HA VAL A 9 2.061 -0.961 4.340 1.00 0.26 H new ATOM 0 HB VAL A 9 2.027 -3.975 3.975 1.00 0.30 H new ATOM 0 HG11 VAL A 9 0.426 -3.552 2.156 1.00 0.89 H new ATOM 0 HG12 VAL A 9 -0.220 -3.057 3.738 1.00 0.89 H new ATOM 0 HG13 VAL A 9 0.384 -1.829 2.600 1.00 0.89 H new ATOM 0 HG21 VAL A 9 2.845 -3.450 1.706 1.00 0.77 H new ATOM 0 HG22 VAL A 9 2.912 -1.724 2.137 1.00 0.77 H new ATOM 0 HG23 VAL A 9 3.974 -2.889 2.963 1.00 0.77 H new ATOM 132 N GLU A 10 0.043 -1.252 5.835 1.00 0.21 N ATOM 133 CA GLU A 10 -1.017 -1.335 6.826 1.00 0.23 C ATOM 134 C GLU A 10 -2.332 -0.811 6.255 1.00 0.25 C ATOM 135 O GLU A 10 -2.343 0.074 5.397 1.00 0.26 O ATOM 136 CB GLU A 10 -0.606 -0.543 8.067 1.00 0.28 C ATOM 137 CG GLU A 10 -1.463 -0.786 9.299 1.00 0.37 C ATOM 138 CD GLU A 10 -0.921 -0.058 10.511 1.00 0.48 C ATOM 139 OE1 GLU A 10 0.011 -0.578 11.159 1.00 0.99 O ATOM 140 OE2 GLU A 10 -1.407 1.053 10.811 1.00 1.08 O ATOM 0 H GLU A 10 -0.014 -0.443 5.216 1.00 0.21 H new ATOM 0 HA GLU A 10 -1.172 -2.378 7.103 1.00 0.23 H new ATOM 0 HB2 GLU A 10 0.428 -0.787 8.309 1.00 0.28 H new ATOM 0 HB3 GLU A 10 -0.635 0.520 7.827 1.00 0.28 H new ATOM 0 HG2 GLU A 10 -2.483 -0.457 9.103 1.00 0.37 H new ATOM 0 HG3 GLU A 10 -1.507 -1.855 9.506 1.00 0.37 H new ATOM 147 N PHE A 11 -3.434 -1.369 6.730 1.00 0.30 N ATOM 148 CA PHE A 11 -4.758 -0.962 6.282 1.00 0.34 C ATOM 149 C PHE A 11 -5.482 -0.210 7.391 1.00 0.34 C ATOM 150 O PHE A 11 -5.474 -0.638 8.546 1.00 0.74 O ATOM 151 CB PHE A 11 -5.558 -2.182 5.829 1.00 0.74 C ATOM 152 CG PHE A 11 -4.935 -2.866 4.649 1.00 2.12 C ATOM 153 CD1 PHE A 11 -4.887 -2.235 3.419 1.00 2.89 C ATOM 154 CD2 PHE A 11 -4.387 -4.131 4.772 1.00 2.77 C ATOM 155 CE1 PHE A 11 -4.301 -2.851 2.335 1.00 4.21 C ATOM 156 CE2 PHE A 11 -3.802 -4.752 3.692 1.00 4.09 C ATOM 157 CZ PHE A 11 -3.758 -4.113 2.472 1.00 4.80 C ATOM 0 H PHE A 11 -3.438 -2.110 7.431 1.00 0.30 H new ATOM 0 HA PHE A 11 -4.655 -0.289 5.431 1.00 0.34 H new ATOM 0 HB2 PHE A 11 -5.638 -2.889 6.655 1.00 0.74 H new ATOM 0 HB3 PHE A 11 -6.572 -1.874 5.574 1.00 0.74 H new ATOM 0 HD1 PHE A 11 -5.313 -1.249 3.307 1.00 2.89 H new ATOM 0 HD2 PHE A 11 -4.419 -4.636 5.726 1.00 2.77 H new ATOM 0 HE1 PHE A 11 -4.266 -2.348 1.380 1.00 4.21 H new ATOM 0 HE2 PHE A 11 -3.378 -5.739 3.801 1.00 4.09 H new ATOM 0 HZ PHE A 11 -3.299 -4.599 1.624 1.00 4.80 H new ATOM 167 N GLY A 12 -6.103 0.908 7.033 1.00 0.23 N ATOM 168 CA GLY A 12 -6.625 1.820 8.029 1.00 0.39 C ATOM 169 C GLY A 12 -8.122 2.057 7.927 1.00 0.28 C ATOM 170 O GLY A 12 -8.878 1.617 8.792 1.00 0.34 O ATOM 0 H GLY A 12 -6.254 1.198 6.067 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -6.396 1.429 9.020 1.00 0.39 H new ATOM 0 HA3 GLY A 12 -6.109 2.776 7.937 1.00 0.39 H new ATOM 174 N GLY A 13 -8.539 2.740 6.858 1.00 0.24 N ATOM 175 CA GLY A 13 -9.926 3.195 6.715 1.00 0.26 C ATOM 176 C GLY A 13 -10.914 2.079 6.440 1.00 0.29 C ATOM 177 O GLY A 13 -11.503 2.032 5.366 1.00 0.45 O ATOM 0 H GLY A 13 -7.934 2.991 6.076 1.00 0.24 H new ATOM 0 HA2 GLY A 13 -10.223 3.714 7.626 1.00 0.26 H new ATOM 0 HA3 GLY A 13 -9.978 3.921 5.904 1.00 0.26 H new ATOM 181 N GLY A 14 -11.104 1.179 7.398 1.00 0.28 N ATOM 182 CA GLY A 14 -11.978 0.040 7.174 1.00 0.35 C ATOM 183 C GLY A 14 -11.457 -0.840 6.060 1.00 0.36 C ATOM 184 O GLY A 14 -12.163 -1.711 5.558 1.00 0.41 O ATOM 0 H GLY A 14 -10.672 1.216 8.321 1.00 0.28 H new ATOM 0 HA2 GLY A 14 -12.063 -0.542 8.091 1.00 0.35 H new ATOM 0 HA3 GLY A 14 -12.980 0.391 6.925 1.00 0.35 H new ATOM 188 N ALA A 15 -10.205 -0.610 5.681 1.00 0.35 N ATOM 189 CA ALA A 15 -9.604 -1.305 4.564 1.00 0.39 C ATOM 190 C ALA A 15 -9.363 -2.759 4.910 1.00 0.39 C ATOM 191 O ALA A 15 -9.598 -3.636 4.095 1.00 0.42 O ATOM 192 CB ALA A 15 -8.312 -0.616 4.150 1.00 0.44 C ATOM 0 H ALA A 15 -9.587 0.060 6.140 1.00 0.35 H new ATOM 0 HA ALA A 15 -10.291 -1.274 3.719 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -7.869 -1.149 3.308 1.00 0.44 H new ATOM 0 HB2 ALA A 15 -8.526 0.412 3.857 1.00 0.44 H new ATOM 0 HB3 ALA A 15 -7.614 -0.617 4.988 1.00 0.44 H new ATOM 198 N GLU A 16 -8.934 -3.013 6.142 1.00 0.38 N ATOM 199 CA GLU A 16 -8.667 -4.374 6.596 1.00 0.38 C ATOM 200 C GLU A 16 -9.918 -5.238 6.509 1.00 0.36 C ATOM 201 O GLU A 16 -9.830 -6.447 6.341 1.00 0.37 O ATOM 202 CB GLU A 16 -8.117 -4.377 8.023 1.00 0.45 C ATOM 203 CG GLU A 16 -9.027 -3.689 9.025 1.00 0.57 C ATOM 204 CD GLU A 16 -8.430 -3.608 10.412 1.00 1.19 C ATOM 205 OE1 GLU A 16 -8.636 -4.541 11.210 1.00 1.54 O ATOM 206 OE2 GLU A 16 -7.771 -2.592 10.719 1.00 1.60 O ATOM 0 H GLU A 16 -8.764 -2.294 6.845 1.00 0.38 H new ATOM 0 HA GLU A 16 -7.912 -4.799 5.935 1.00 0.38 H new ATOM 0 HB2 GLU A 16 -7.955 -5.407 8.339 1.00 0.45 H new ATOM 0 HB3 GLU A 16 -7.144 -3.885 8.030 1.00 0.45 H new ATOM 0 HG2 GLU A 16 -9.250 -2.682 8.673 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -9.974 -4.226 9.075 1.00 0.57 H new ATOM 213 N LEU A 17 -11.082 -4.612 6.617 1.00 0.35 N ATOM 214 CA LEU A 17 -12.350 -5.305 6.514 1.00 0.37 C ATOM 215 C LEU A 17 -12.523 -5.927 5.121 1.00 0.36 C ATOM 216 O LEU A 17 -13.344 -6.821 4.925 1.00 0.41 O ATOM 217 CB LEU A 17 -13.478 -4.318 6.810 1.00 0.39 C ATOM 218 CG LEU A 17 -13.604 -3.847 8.268 1.00 0.41 C ATOM 219 CD1 LEU A 17 -13.951 -5.013 9.179 1.00 0.88 C ATOM 220 CD2 LEU A 17 -12.351 -3.151 8.781 1.00 0.83 C ATOM 0 H LEU A 17 -11.169 -3.609 6.779 1.00 0.35 H new ATOM 0 HA LEU A 17 -12.377 -6.118 7.240 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -13.340 -3.441 6.178 1.00 0.39 H new ATOM 0 HB3 LEU A 17 -14.421 -4.778 6.516 1.00 0.39 H new ATOM 0 HG LEU A 17 -14.410 -3.113 8.282 1.00 0.41 H new ATOM 0 HD11 LEU A 17 -14.036 -4.659 10.207 1.00 0.88 H new ATOM 0 HD12 LEU A 17 -14.900 -5.449 8.866 1.00 0.88 H new ATOM 0 HD13 LEU A 17 -13.167 -5.768 9.119 1.00 0.88 H new ATOM 0 HD21 LEU A 17 -12.504 -2.843 9.815 1.00 0.83 H new ATOM 0 HD22 LEU A 17 -11.506 -3.837 8.728 1.00 0.83 H new ATOM 0 HD23 LEU A 17 -12.145 -2.274 8.168 1.00 0.83 H new ATOM 232 N LEU A 18 -11.726 -5.455 4.167 1.00 0.35 N ATOM 233 CA LEU A 18 -11.716 -6.003 2.813 1.00 0.39 C ATOM 234 C LEU A 18 -10.828 -7.241 2.765 1.00 0.42 C ATOM 235 O LEU A 18 -10.926 -8.065 1.853 1.00 0.49 O ATOM 236 CB LEU A 18 -11.177 -4.961 1.824 1.00 0.38 C ATOM 237 CG LEU A 18 -12.013 -3.685 1.686 1.00 0.42 C ATOM 238 CD1 LEU A 18 -11.177 -2.562 1.095 1.00 0.47 C ATOM 239 CD2 LEU A 18 -13.229 -3.937 0.810 1.00 0.49 C ATOM 0 H LEU A 18 -11.072 -4.686 4.309 1.00 0.35 H new ATOM 0 HA LEU A 18 -12.736 -6.269 2.537 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -10.169 -4.682 2.131 1.00 0.38 H new ATOM 0 HB3 LEU A 18 -11.094 -5.427 0.842 1.00 0.38 H new ATOM 0 HG LEU A 18 -12.349 -3.390 2.680 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -11.787 -1.663 1.004 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -10.327 -2.359 1.747 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -10.816 -2.857 0.110 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -13.811 -3.020 0.723 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -12.904 -4.256 -0.180 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -13.845 -4.717 1.258 1.00 0.49 H new ATOM 251 N PHE A 19 -9.958 -7.355 3.763 1.00 0.39 N ATOM 252 CA PHE A 19 -8.949 -8.403 3.797 1.00 0.47 C ATOM 253 C PHE A 19 -9.133 -9.295 5.020 1.00 0.60 C ATOM 254 O PHE A 19 -8.193 -9.954 5.465 1.00 0.97 O ATOM 255 CB PHE A 19 -7.559 -7.768 3.817 1.00 0.45 C ATOM 256 CG PHE A 19 -7.382 -6.715 2.761 1.00 0.43 C ATOM 257 CD1 PHE A 19 -7.067 -7.065 1.461 1.00 0.42 C ATOM 258 CD2 PHE A 19 -7.520 -5.377 3.071 1.00 0.71 C ATOM 259 CE1 PHE A 19 -6.891 -6.101 0.492 1.00 0.52 C ATOM 260 CE2 PHE A 19 -7.348 -4.409 2.108 1.00 0.75 C ATOM 261 CZ PHE A 19 -7.077 -4.770 0.808 1.00 0.59 C ATOM 0 H PHE A 19 -9.934 -6.726 4.566 1.00 0.39 H new ATOM 0 HA PHE A 19 -9.056 -9.022 2.907 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -7.381 -7.326 4.797 1.00 0.45 H new ATOM 0 HB3 PHE A 19 -6.808 -8.545 3.677 1.00 0.45 H new ATOM 0 HD1 PHE A 19 -6.957 -8.108 1.202 1.00 0.42 H new ATOM 0 HD2 PHE A 19 -7.766 -5.086 4.082 1.00 0.71 H new ATOM 0 HE1 PHE A 19 -6.609 -6.386 -0.511 1.00 0.52 H new ATOM 0 HE2 PHE A 19 -7.426 -3.365 2.373 1.00 0.75 H new ATOM 0 HZ PHE A 19 -7.010 -4.015 0.038 1.00 0.59 H new ATOM 271 N ASP A 20 -10.351 -9.295 5.562 1.00 0.55 N ATOM 272 CA ASP A 20 -10.720 -10.163 6.689 1.00 0.69 C ATOM 273 C ASP A 20 -10.002 -9.742 7.984 1.00 0.72 C ATOM 274 O ASP A 20 -9.755 -10.553 8.875 1.00 1.07 O ATOM 275 CB ASP A 20 -10.422 -11.631 6.344 1.00 0.80 C ATOM 276 CG ASP A 20 -11.004 -12.608 7.346 1.00 1.16 C ATOM 277 OD1 ASP A 20 -12.235 -12.594 7.551 1.00 1.55 O ATOM 278 OD2 ASP A 20 -10.235 -13.397 7.936 1.00 1.28 O ATOM 0 H ASP A 20 -11.110 -8.697 5.236 1.00 0.55 H new ATOM 0 HA ASP A 20 -11.790 -10.056 6.865 1.00 0.69 H new ATOM 0 HB2 ASP A 20 -10.821 -11.854 5.355 1.00 0.80 H new ATOM 0 HB3 ASP A 20 -9.343 -11.774 6.291 1.00 0.80 H new ATOM 283 N GLY A 21 -9.683 -8.459 8.085 1.00 0.57 N ATOM 284 CA GLY A 21 -9.098 -7.928 9.307 1.00 0.59 C ATOM 285 C GLY A 21 -7.587 -7.826 9.233 1.00 0.59 C ATOM 286 O GLY A 21 -6.948 -7.323 10.157 1.00 0.79 O ATOM 0 H GLY A 21 -9.818 -7.773 7.343 1.00 0.57 H new ATOM 0 HA2 GLY A 21 -9.516 -6.941 9.507 1.00 0.59 H new ATOM 0 HA3 GLY A 21 -9.375 -8.567 10.146 1.00 0.59 H new ATOM 290 N VAL A 22 -7.012 -8.307 8.140 1.00 0.51 N ATOM 291 CA VAL A 22 -5.577 -8.178 7.926 1.00 0.53 C ATOM 292 C VAL A 22 -5.238 -6.735 7.588 1.00 0.45 C ATOM 293 O VAL A 22 -5.750 -6.183 6.616 1.00 0.47 O ATOM 294 CB VAL A 22 -5.075 -9.104 6.797 1.00 0.68 C ATOM 295 CG1 VAL A 22 -3.570 -8.964 6.610 1.00 1.02 C ATOM 296 CG2 VAL A 22 -5.441 -10.546 7.095 1.00 1.41 C ATOM 0 H VAL A 22 -7.513 -8.787 7.392 1.00 0.51 H new ATOM 0 HA VAL A 22 -5.077 -8.476 8.848 1.00 0.53 H new ATOM 0 HB VAL A 22 -5.562 -8.805 5.868 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -3.240 -9.626 5.809 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -3.330 -7.933 6.351 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -3.062 -9.233 7.536 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -5.080 -11.187 6.290 1.00 1.41 H new ATOM 0 HG22 VAL A 22 -4.982 -10.851 8.035 1.00 1.41 H new ATOM 0 HG23 VAL A 22 -6.524 -10.638 7.174 1.00 1.41 H new ATOM 306 N LYS A 23 -4.400 -6.121 8.406 1.00 0.48 N ATOM 307 CA LYS A 23 -4.070 -4.727 8.235 1.00 0.52 C ATOM 308 C LYS A 23 -2.564 -4.520 8.092 1.00 0.40 C ATOM 309 O LYS A 23 -2.080 -4.176 7.019 1.00 0.37 O ATOM 310 CB LYS A 23 -4.635 -3.926 9.401 1.00 0.75 C ATOM 311 CG LYS A 23 -4.426 -4.589 10.746 1.00 0.85 C ATOM 312 CD LYS A 23 -5.148 -3.866 11.872 1.00 1.06 C ATOM 313 CE LYS A 23 -4.630 -2.447 12.091 1.00 1.11 C ATOM 314 NZ LYS A 23 -5.282 -1.461 11.182 1.00 2.07 N ATOM 0 H LYS A 23 -3.938 -6.572 9.195 1.00 0.48 H new ATOM 0 HA LYS A 23 -4.523 -4.370 7.310 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -4.169 -2.941 9.414 1.00 0.75 H new ATOM 0 HB3 LYS A 23 -5.702 -3.772 9.243 1.00 0.75 H new ATOM 0 HG2 LYS A 23 -4.777 -5.620 10.697 1.00 0.85 H new ATOM 0 HG3 LYS A 23 -3.359 -4.625 10.967 1.00 0.85 H new ATOM 0 HD2 LYS A 23 -6.214 -3.828 11.649 1.00 1.06 H new ATOM 0 HD3 LYS A 23 -5.035 -4.436 12.795 1.00 1.06 H new ATOM 0 HE2 LYS A 23 -4.805 -2.154 13.126 1.00 1.11 H new ATOM 0 HE3 LYS A 23 -3.552 -2.427 11.932 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 -5.459 -0.576 11.699 1.00 2.07 H new ATOM 0 HZ2 LYS A 23 -4.658 -1.270 10.372 1.00 2.07 H new ATOM 0 HZ3 LYS A 23 -6.184 -1.848 10.840 1.00 2.07 H new ATOM 328 N LYS A 24 -1.835 -4.730 9.172 1.00 0.38 N ATOM 329 CA LYS A 24 -0.392 -4.575 9.166 1.00 0.33 C ATOM 330 C LYS A 24 0.289 -5.787 8.552 1.00 0.34 C ATOM 331 O LYS A 24 0.028 -6.930 8.931 1.00 0.47 O ATOM 332 CB LYS A 24 0.124 -4.349 10.588 1.00 0.43 C ATOM 333 CG LYS A 24 1.630 -4.149 10.666 1.00 0.49 C ATOM 334 CD LYS A 24 2.103 -4.032 12.104 1.00 0.66 C ATOM 335 CE LYS A 24 3.602 -3.804 12.179 1.00 1.04 C ATOM 336 NZ LYS A 24 4.079 -3.713 13.584 1.00 1.59 N ATOM 0 H LYS A 24 -2.223 -5.011 10.073 1.00 0.38 H new ATOM 0 HA LYS A 24 -0.152 -3.704 8.556 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -0.372 -3.475 11.011 1.00 0.43 H new ATOM 0 HB3 LYS A 24 -0.153 -5.203 11.206 1.00 0.43 H new ATOM 0 HG2 LYS A 24 2.135 -4.986 10.183 1.00 0.49 H new ATOM 0 HG3 LYS A 24 1.907 -3.249 10.116 1.00 0.49 H new ATOM 0 HD2 LYS A 24 1.584 -3.208 12.593 1.00 0.66 H new ATOM 0 HD3 LYS A 24 1.844 -4.940 12.648 1.00 0.66 H new ATOM 0 HE2 LYS A 24 4.119 -4.619 11.672 1.00 1.04 H new ATOM 0 HE3 LYS A 24 3.857 -2.886 11.649 1.00 1.04 H new ATOM 0 HZ1 LYS A 24 5.107 -3.557 13.592 1.00 1.59 H new ATOM 0 HZ2 LYS A 24 3.605 -2.920 14.061 1.00 1.59 H new ATOM 0 HZ3 LYS A 24 3.859 -4.598 14.083 1.00 1.59 H new ATOM 350 N HIS A 25 1.146 -5.514 7.590 1.00 0.29 N ATOM 351 CA HIS A 25 1.966 -6.525 6.962 1.00 0.34 C ATOM 352 C HIS A 25 3.344 -5.947 6.661 1.00 0.34 C ATOM 353 O HIS A 25 3.474 -5.008 5.874 1.00 0.43 O ATOM 354 CB HIS A 25 1.310 -7.022 5.670 1.00 0.42 C ATOM 355 CG HIS A 25 2.106 -8.087 4.966 1.00 0.69 C ATOM 356 ND1 HIS A 25 1.894 -9.433 5.154 1.00 1.46 N ATOM 357 CD2 HIS A 25 3.131 -7.994 4.085 1.00 1.39 C ATOM 358 CE1 HIS A 25 2.754 -10.121 4.429 1.00 1.58 C ATOM 359 NE2 HIS A 25 3.520 -9.272 3.768 1.00 1.44 N ATOM 0 H HIS A 25 1.293 -4.575 7.220 1.00 0.29 H new ATOM 0 HA HIS A 25 2.069 -7.371 7.642 1.00 0.34 H new ATOM 0 HB2 HIS A 25 0.319 -7.413 5.902 1.00 0.42 H new ATOM 0 HB3 HIS A 25 1.170 -6.178 4.995 1.00 0.42 H new ATOM 0 HD2 HIS A 25 3.563 -7.081 3.702 1.00 1.39 H new ATOM 0 HE1 HIS A 25 2.821 -11.198 4.383 1.00 1.58 H new ATOM 0 HE2 HIS A 25 4.274 -9.524 3.129 1.00 1.44 H new ATOM 368 N GLN A 26 4.366 -6.504 7.282 1.00 0.36 N ATOM 369 CA GLN A 26 5.724 -6.042 7.060 1.00 0.38 C ATOM 370 C GLN A 26 6.313 -6.730 5.834 1.00 0.33 C ATOM 371 O GLN A 26 6.087 -7.921 5.615 1.00 0.47 O ATOM 372 CB GLN A 26 6.594 -6.329 8.287 1.00 0.54 C ATOM 373 CG GLN A 26 8.051 -5.936 8.100 1.00 0.67 C ATOM 374 CD GLN A 26 8.942 -6.363 9.253 1.00 1.12 C ATOM 375 OE1 GLN A 26 10.118 -6.670 9.058 1.00 1.84 O ATOM 376 NE2 GLN A 26 8.403 -6.373 10.460 1.00 1.59 N ATOM 0 H GLN A 26 4.283 -7.276 7.943 1.00 0.36 H new ATOM 0 HA GLN A 26 5.703 -4.965 6.891 1.00 0.38 H new ATOM 0 HB2 GLN A 26 6.188 -5.792 9.145 1.00 0.54 H new ATOM 0 HB3 GLN A 26 6.539 -7.392 8.521 1.00 0.54 H new ATOM 0 HG2 GLN A 26 8.424 -6.381 7.178 1.00 0.67 H new ATOM 0 HG3 GLN A 26 8.116 -4.854 7.981 1.00 0.67 H new ATOM 0 HE21 GLN A 26 7.425 -6.112 10.584 1.00 1.59 H new ATOM 0 HE22 GLN A 26 8.965 -6.641 11.268 1.00 1.59 H new ATOM 385 N VAL A 27 7.049 -5.978 5.029 1.00 0.29 N ATOM 386 CA VAL A 27 7.734 -6.540 3.876 1.00 0.29 C ATOM 387 C VAL A 27 9.190 -6.075 3.859 1.00 0.28 C ATOM 388 O VAL A 27 9.487 -4.906 4.126 1.00 0.31 O ATOM 389 CB VAL A 27 7.018 -6.176 2.550 1.00 0.35 C ATOM 390 CG1 VAL A 27 6.931 -4.670 2.359 1.00 0.44 C ATOM 391 CG2 VAL A 27 7.707 -6.832 1.362 1.00 0.44 C ATOM 0 H VAL A 27 7.187 -4.975 5.154 1.00 0.29 H new ATOM 0 HA VAL A 27 7.711 -7.626 3.962 1.00 0.29 H new ATOM 0 HB VAL A 27 6.000 -6.561 2.610 1.00 0.35 H new ATOM 0 HG11 VAL A 27 6.423 -4.451 1.420 1.00 0.44 H new ATOM 0 HG12 VAL A 27 6.372 -4.230 3.185 1.00 0.44 H new ATOM 0 HG13 VAL A 27 7.936 -4.248 2.336 1.00 0.44 H new ATOM 0 HG21 VAL A 27 7.186 -6.561 0.444 1.00 0.44 H new ATOM 0 HG22 VAL A 27 8.741 -6.490 1.307 1.00 0.44 H new ATOM 0 HG23 VAL A 27 7.689 -7.915 1.483 1.00 0.44 H new ATOM 401 N ALA A 28 10.098 -6.999 3.588 1.00 0.31 N ATOM 402 CA ALA A 28 11.518 -6.705 3.649 1.00 0.33 C ATOM 403 C ALA A 28 12.107 -6.491 2.263 1.00 0.28 C ATOM 404 O ALA A 28 12.025 -7.368 1.400 1.00 0.29 O ATOM 405 CB ALA A 28 12.252 -7.818 4.372 1.00 0.41 C ATOM 0 H ALA A 28 9.875 -7.959 3.324 1.00 0.31 H new ATOM 0 HA ALA A 28 11.643 -5.776 4.205 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.316 -7.586 4.411 1.00 0.41 H new ATOM 0 HB2 ALA A 28 11.863 -7.912 5.386 1.00 0.41 H new ATOM 0 HB3 ALA A 28 12.105 -8.757 3.839 1.00 0.41 H new ATOM 411 N LEU A 29 12.712 -5.328 2.068 1.00 0.28 N ATOM 412 CA LEU A 29 13.303 -4.959 0.788 1.00 0.28 C ATOM 413 C LEU A 29 14.582 -5.748 0.546 1.00 0.32 C ATOM 414 O LEU A 29 15.298 -6.074 1.490 1.00 0.36 O ATOM 415 CB LEU A 29 13.618 -3.454 0.758 1.00 0.35 C ATOM 416 CG LEU A 29 12.446 -2.499 0.475 1.00 0.38 C ATOM 417 CD1 LEU A 29 12.044 -2.573 -0.987 1.00 1.13 C ATOM 418 CD2 LEU A 29 11.251 -2.804 1.365 1.00 1.04 C ATOM 0 H LEU A 29 12.807 -4.614 2.791 1.00 0.28 H new ATOM 0 HA LEU A 29 12.585 -5.192 0.002 1.00 0.28 H new ATOM 0 HB2 LEU A 29 14.053 -3.180 1.719 1.00 0.35 H new ATOM 0 HB3 LEU A 29 14.384 -3.284 0.001 1.00 0.35 H new ATOM 0 HG LEU A 29 12.782 -1.487 0.701 1.00 0.38 H new ATOM 0 HD11 LEU A 29 11.214 -1.891 -1.171 1.00 1.13 H new ATOM 0 HD12 LEU A 29 12.891 -2.290 -1.612 1.00 1.13 H new ATOM 0 HD13 LEU A 29 11.738 -3.591 -1.229 1.00 1.13 H new ATOM 0 HD21 LEU A 29 10.442 -2.110 1.138 1.00 1.04 H new ATOM 0 HD22 LEU A 29 10.915 -3.825 1.185 1.00 1.04 H new ATOM 0 HD23 LEU A 29 11.539 -2.696 2.411 1.00 1.04 H new ATOM 430 N PRO A 30 14.870 -6.092 -0.717 1.00 0.38 N ATOM 431 CA PRO A 30 16.133 -6.717 -1.100 1.00 0.53 C ATOM 432 C PRO A 30 17.250 -5.684 -1.212 1.00 0.76 C ATOM 433 O PRO A 30 16.979 -4.501 -1.416 1.00 1.64 O ATOM 434 CB PRO A 30 15.843 -7.335 -2.477 1.00 0.52 C ATOM 435 CG PRO A 30 14.391 -7.087 -2.744 1.00 0.51 C ATOM 436 CD PRO A 30 13.988 -5.933 -1.872 1.00 0.41 C ATOM 0 HA PRO A 30 16.467 -7.448 -0.364 1.00 0.53 H new ATOM 0 HB2 PRO A 30 16.465 -6.879 -3.248 1.00 0.52 H new ATOM 0 HB3 PRO A 30 16.063 -8.403 -2.480 1.00 0.52 H new ATOM 0 HG2 PRO A 30 14.224 -6.855 -3.796 1.00 0.51 H new ATOM 0 HG3 PRO A 30 13.798 -7.972 -2.515 1.00 0.51 H new ATOM 0 HD2 PRO A 30 14.139 -4.975 -2.370 1.00 0.41 H new ATOM 0 HD3 PRO A 30 12.936 -5.984 -1.591 1.00 0.41 H new ATOM 483 N GLU A 34 14.824 -2.990 -5.123 1.00 0.54 N ATOM 484 CA GLU A 34 13.595 -2.403 -4.582 1.00 0.56 C ATOM 485 C GLU A 34 12.387 -2.654 -5.490 1.00 0.48 C ATOM 486 O GLU A 34 11.865 -1.730 -6.110 1.00 0.58 O ATOM 487 CB GLU A 34 13.744 -0.901 -4.311 1.00 0.72 C ATOM 488 CG GLU A 34 14.827 -0.545 -3.301 1.00 0.96 C ATOM 489 CD GLU A 34 16.230 -0.672 -3.857 1.00 1.55 C ATOM 490 OE1 GLU A 34 16.729 0.308 -4.441 1.00 1.97 O ATOM 491 OE2 GLU A 34 16.845 -1.746 -3.705 1.00 2.31 O ATOM 0 HA GLU A 34 13.417 -2.906 -3.631 1.00 0.56 H new ATOM 0 HB2 GLU A 34 13.962 -0.395 -5.252 1.00 0.72 H new ATOM 0 HB3 GLU A 34 12.790 -0.513 -3.954 1.00 0.72 H new ATOM 0 HG2 GLU A 34 14.671 0.477 -2.957 1.00 0.96 H new ATOM 0 HG3 GLU A 34 14.729 -1.193 -2.430 1.00 0.96 H new ATOM 498 N PRO A 35 11.928 -3.912 -5.583 1.00 0.41 N ATOM 499 CA PRO A 35 10.765 -4.274 -6.377 1.00 0.40 C ATOM 500 C PRO A 35 9.498 -4.243 -5.537 1.00 0.35 C ATOM 501 O PRO A 35 8.430 -4.677 -5.965 1.00 0.39 O ATOM 502 CB PRO A 35 11.097 -5.698 -6.804 1.00 0.48 C ATOM 503 CG PRO A 35 11.890 -6.262 -5.666 1.00 0.50 C ATOM 504 CD PRO A 35 12.501 -5.092 -4.923 1.00 0.46 C ATOM 0 HA PRO A 35 10.577 -3.597 -7.210 1.00 0.40 H new ATOM 0 HB2 PRO A 35 10.192 -6.279 -6.982 1.00 0.48 H new ATOM 0 HB3 PRO A 35 11.671 -5.710 -7.731 1.00 0.48 H new ATOM 0 HG2 PRO A 35 11.251 -6.847 -5.004 1.00 0.50 H new ATOM 0 HG3 PRO A 35 12.667 -6.933 -6.033 1.00 0.50 H new ATOM 0 HD2 PRO A 35 12.249 -5.118 -3.863 1.00 0.46 H new ATOM 0 HD3 PRO A 35 13.589 -5.099 -4.993 1.00 0.46 H new ATOM 512 N TRP A 36 9.639 -3.722 -4.329 1.00 0.30 N ATOM 513 CA TRP A 36 8.547 -3.680 -3.375 1.00 0.27 C ATOM 514 C TRP A 36 7.859 -2.325 -3.410 1.00 0.24 C ATOM 515 O TRP A 36 7.311 -1.874 -2.401 1.00 0.25 O ATOM 516 CB TRP A 36 9.063 -3.991 -1.962 1.00 0.28 C ATOM 517 CG TRP A 36 9.548 -5.403 -1.790 1.00 0.29 C ATOM 518 CD1 TRP A 36 10.484 -5.831 -0.898 1.00 0.32 C ATOM 519 CD2 TRP A 36 9.134 -6.571 -2.523 1.00 0.31 C ATOM 520 NE1 TRP A 36 10.672 -7.183 -1.018 1.00 0.34 N ATOM 521 CE2 TRP A 36 9.857 -7.663 -2.006 1.00 0.34 C ATOM 522 CE3 TRP A 36 8.223 -6.803 -3.558 1.00 0.35 C ATOM 523 CZ2 TRP A 36 9.698 -8.959 -2.488 1.00 0.38 C ATOM 524 CZ3 TRP A 36 8.067 -8.091 -4.036 1.00 0.41 C ATOM 525 CH2 TRP A 36 8.800 -9.156 -3.499 1.00 0.42 C ATOM 0 H TRP A 36 10.510 -3.318 -3.985 1.00 0.30 H new ATOM 0 HA TRP A 36 7.815 -4.439 -3.650 1.00 0.27 H new ATOM 0 HB2 TRP A 36 9.876 -3.306 -1.724 1.00 0.28 H new ATOM 0 HB3 TRP A 36 8.265 -3.801 -1.244 1.00 0.28 H new ATOM 0 HD1 TRP A 36 11.004 -5.196 -0.196 1.00 0.32 H new ATOM 0 HE1 TRP A 36 11.317 -7.742 -0.460 1.00 0.34 H new ATOM 0 HE3 TRP A 36 7.650 -5.989 -3.977 1.00 0.35 H new ATOM 0 HZ2 TRP A 36 10.265 -9.781 -2.077 1.00 0.38 H new ATOM 0 HZ3 TRP A 36 7.368 -8.279 -4.837 1.00 0.41 H new ATOM 0 HH2 TRP A 36 8.653 -10.152 -3.891 1.00 0.42 H new ATOM 536 N ASP A 37 7.887 -1.682 -4.581 1.00 0.24 N ATOM 537 CA ASP A 37 7.250 -0.379 -4.766 1.00 0.21 C ATOM 538 C ASP A 37 5.784 -0.472 -4.366 1.00 0.21 C ATOM 539 O ASP A 37 5.193 -1.558 -4.402 1.00 0.24 O ATOM 540 CB ASP A 37 7.322 0.090 -6.225 1.00 0.25 C ATOM 541 CG ASP A 37 8.618 -0.266 -6.930 1.00 0.82 C ATOM 542 OD1 ASP A 37 8.876 -1.472 -7.121 1.00 1.59 O ATOM 543 OD2 ASP A 37 9.361 0.654 -7.329 1.00 1.21 O ATOM 0 H ASP A 37 8.346 -2.046 -5.416 1.00 0.24 H new ATOM 0 HA ASP A 37 7.783 0.339 -4.143 1.00 0.21 H new ATOM 0 HB2 ASP A 37 6.490 -0.347 -6.777 1.00 0.25 H new ATOM 0 HB3 ASP A 37 7.191 1.172 -6.254 1.00 0.25 H new ATOM 548 N ILE A 38 5.194 0.662 -4.021 1.00 0.20 N ATOM 549 CA ILE A 38 3.798 0.708 -3.584 1.00 0.20 C ATOM 550 C ILE A 38 2.892 0.050 -4.627 1.00 0.20 C ATOM 551 O ILE A 38 1.934 -0.643 -4.291 1.00 0.23 O ATOM 552 CB ILE A 38 3.339 2.169 -3.338 1.00 0.20 C ATOM 553 CG1 ILE A 38 4.423 2.944 -2.572 1.00 0.20 C ATOM 554 CG2 ILE A 38 2.024 2.192 -2.570 1.00 0.23 C ATOM 555 CD1 ILE A 38 4.764 2.382 -1.205 1.00 0.24 C ATOM 0 H ILE A 38 5.659 1.570 -4.034 1.00 0.20 H new ATOM 0 HA ILE A 38 3.723 0.159 -2.645 1.00 0.20 H new ATOM 0 HB ILE A 38 3.182 2.652 -4.302 1.00 0.20 H new ATOM 0 HG12 ILE A 38 5.330 2.965 -3.177 1.00 0.20 H new ATOM 0 HG13 ILE A 38 4.095 3.977 -2.453 1.00 0.20 H new ATOM 0 HG21 ILE A 38 1.716 3.225 -2.406 1.00 0.23 H new ATOM 0 HG22 ILE A 38 1.258 1.672 -3.145 1.00 0.23 H new ATOM 0 HG23 ILE A 38 2.155 1.696 -1.609 1.00 0.23 H new ATOM 0 HD11 ILE A 38 5.537 2.995 -0.742 1.00 0.24 H new ATOM 0 HD12 ILE A 38 3.873 2.387 -0.577 1.00 0.24 H new ATOM 0 HD13 ILE A 38 5.127 1.360 -1.312 1.00 0.24 H new ATOM 567 N ARG A 39 3.239 0.256 -5.889 1.00 0.19 N ATOM 568 CA ARG A 39 2.531 -0.337 -7.017 1.00 0.20 C ATOM 569 C ARG A 39 2.542 -1.867 -6.944 1.00 0.19 C ATOM 570 O ARG A 39 1.501 -2.507 -7.078 1.00 0.25 O ATOM 571 CB ARG A 39 3.187 0.154 -8.316 1.00 0.31 C ATOM 572 CG ARG A 39 2.653 -0.469 -9.597 1.00 0.99 C ATOM 573 CD ARG A 39 3.383 -1.758 -9.944 1.00 1.11 C ATOM 574 NE ARG A 39 3.331 -2.037 -11.379 1.00 1.63 N ATOM 575 CZ ARG A 39 4.136 -2.897 -12.003 1.00 2.06 C ATOM 576 NH1 ARG A 39 5.007 -3.616 -11.309 1.00 2.03 N ATOM 577 NH2 ARG A 39 4.056 -3.049 -13.319 1.00 2.62 N ATOM 0 H ARG A 39 4.026 0.844 -6.163 1.00 0.19 H new ATOM 0 HA ARG A 39 1.486 -0.028 -6.989 1.00 0.20 H new ATOM 0 HB2 ARG A 39 3.062 1.235 -8.379 1.00 0.31 H new ATOM 0 HB3 ARG A 39 4.258 -0.040 -8.257 1.00 0.31 H new ATOM 0 HG2 ARG A 39 1.588 -0.673 -9.486 1.00 0.99 H new ATOM 0 HG3 ARG A 39 2.758 0.241 -10.418 1.00 0.99 H new ATOM 0 HD2 ARG A 39 4.423 -1.685 -9.624 1.00 1.11 H new ATOM 0 HD3 ARG A 39 2.938 -2.588 -9.395 1.00 1.11 H new ATOM 0 HE ARG A 39 2.635 -1.542 -11.937 1.00 1.63 H new ATOM 0 HH11 ARG A 39 5.062 -3.512 -10.296 1.00 2.03 H new ATOM 0 HH12 ARG A 39 5.622 -4.274 -11.788 1.00 2.03 H new ATOM 0 HH21 ARG A 39 3.378 -2.507 -13.855 1.00 2.62 H new ATOM 0 HH22 ARG A 39 4.673 -3.707 -13.795 1.00 2.62 H new ATOM 591 N ASN A 40 3.717 -2.452 -6.728 1.00 0.17 N ATOM 592 CA ASN A 40 3.854 -3.910 -6.723 1.00 0.18 C ATOM 593 C ASN A 40 3.153 -4.513 -5.519 1.00 0.18 C ATOM 594 O ASN A 40 2.587 -5.605 -5.595 1.00 0.22 O ATOM 595 CB ASN A 40 5.328 -4.334 -6.731 1.00 0.22 C ATOM 596 CG ASN A 40 6.000 -4.091 -8.067 1.00 0.40 C ATOM 597 OD1 ASN A 40 5.915 -4.917 -8.975 1.00 0.69 O ATOM 598 ND2 ASN A 40 6.694 -2.973 -8.189 1.00 0.59 N ATOM 0 H ASN A 40 4.585 -1.945 -6.555 1.00 0.17 H new ATOM 0 HA ASN A 40 3.384 -4.283 -7.633 1.00 0.18 H new ATOM 0 HB2 ASN A 40 5.863 -3.787 -5.955 1.00 0.22 H new ATOM 0 HB3 ASN A 40 5.399 -5.393 -6.481 1.00 0.22 H new ATOM 0 HD21 ASN A 40 7.184 -2.769 -9.060 1.00 0.59 H new ATOM 0 HD22 ASN A 40 6.740 -2.314 -7.412 1.00 0.59 H new ATOM 605 N LEU A 41 3.182 -3.795 -4.413 1.00 0.18 N ATOM 606 CA LEU A 41 2.542 -4.253 -3.189 1.00 0.19 C ATOM 607 C LEU A 41 1.039 -4.122 -3.301 1.00 0.19 C ATOM 608 O LEU A 41 0.295 -4.925 -2.748 1.00 0.21 O ATOM 609 CB LEU A 41 3.071 -3.472 -1.990 1.00 0.21 C ATOM 610 CG LEU A 41 4.365 -4.023 -1.392 1.00 0.26 C ATOM 611 CD1 LEU A 41 4.069 -5.261 -0.563 1.00 0.32 C ATOM 612 CD2 LEU A 41 5.359 -4.367 -2.492 1.00 0.29 C ATOM 0 H LEU A 41 3.643 -2.889 -4.334 1.00 0.18 H new ATOM 0 HA LEU A 41 2.781 -5.306 -3.040 1.00 0.19 H new ATOM 0 HB2 LEU A 41 3.237 -2.438 -2.291 1.00 0.21 H new ATOM 0 HB3 LEU A 41 2.305 -3.459 -1.215 1.00 0.21 H new ATOM 0 HG LEU A 41 4.802 -3.257 -0.752 1.00 0.26 H new ATOM 0 HD11 LEU A 41 4.997 -5.647 -0.141 1.00 0.32 H new ATOM 0 HD12 LEU A 41 3.383 -5.003 0.244 1.00 0.32 H new ATOM 0 HD13 LEU A 41 3.614 -6.023 -1.196 1.00 0.32 H new ATOM 0 HD21 LEU A 41 6.274 -4.758 -2.047 1.00 0.29 H new ATOM 0 HD22 LEU A 41 4.926 -5.120 -3.151 1.00 0.29 H new ATOM 0 HD23 LEU A 41 5.590 -3.470 -3.067 1.00 0.29 H new ATOM 624 N LEU A 42 0.602 -3.110 -4.033 1.00 0.19 N ATOM 625 CA LEU A 42 -0.801 -2.962 -4.366 1.00 0.23 C ATOM 626 C LEU A 42 -1.292 -4.208 -5.089 1.00 0.21 C ATOM 627 O LEU A 42 -2.394 -4.683 -4.844 1.00 0.26 O ATOM 628 CB LEU A 42 -1.001 -1.708 -5.226 1.00 0.30 C ATOM 629 CG LEU A 42 -2.404 -1.493 -5.796 1.00 0.47 C ATOM 630 CD1 LEU A 42 -2.642 -0.017 -6.011 1.00 0.91 C ATOM 631 CD2 LEU A 42 -2.575 -2.234 -7.114 1.00 0.82 C ATOM 0 H LEU A 42 1.204 -2.377 -4.408 1.00 0.19 H new ATOM 0 HA LEU A 42 -1.384 -2.845 -3.453 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -0.738 -0.837 -4.626 1.00 0.30 H new ATOM 0 HB3 LEU A 42 -0.297 -1.747 -6.057 1.00 0.30 H new ATOM 0 HG LEU A 42 -3.130 -1.885 -5.083 1.00 0.47 H new ATOM 0 HD11 LEU A 42 -3.642 0.135 -6.417 1.00 0.91 H new ATOM 0 HD12 LEU A 42 -2.553 0.508 -5.060 1.00 0.91 H new ATOM 0 HD13 LEU A 42 -1.903 0.373 -6.711 1.00 0.91 H new ATOM 0 HD21 LEU A 42 -3.581 -2.065 -7.499 1.00 0.82 H new ATOM 0 HD22 LEU A 42 -1.844 -1.867 -7.835 1.00 0.82 H new ATOM 0 HD23 LEU A 42 -2.422 -3.301 -6.954 1.00 0.82 H new ATOM 643 N VAL A 43 -0.451 -4.742 -5.966 1.00 0.20 N ATOM 644 CA VAL A 43 -0.771 -5.956 -6.700 1.00 0.22 C ATOM 645 C VAL A 43 -0.921 -7.121 -5.737 1.00 0.22 C ATOM 646 O VAL A 43 -1.899 -7.870 -5.795 1.00 0.24 O ATOM 647 CB VAL A 43 0.323 -6.305 -7.725 1.00 0.27 C ATOM 648 CG1 VAL A 43 -0.041 -7.572 -8.483 1.00 0.31 C ATOM 649 CG2 VAL A 43 0.556 -5.148 -8.679 1.00 0.32 C ATOM 0 H VAL A 43 0.464 -4.349 -6.186 1.00 0.20 H new ATOM 0 HA VAL A 43 -1.706 -5.777 -7.231 1.00 0.22 H new ATOM 0 HB VAL A 43 1.253 -6.487 -7.187 1.00 0.27 H new ATOM 0 HG11 VAL A 43 0.744 -7.803 -9.203 1.00 0.31 H new ATOM 0 HG12 VAL A 43 -0.144 -8.399 -7.781 1.00 0.31 H new ATOM 0 HG13 VAL A 43 -0.984 -7.423 -9.009 1.00 0.31 H new ATOM 0 HG21 VAL A 43 1.333 -5.417 -9.394 1.00 0.32 H new ATOM 0 HG22 VAL A 43 -0.368 -4.925 -9.213 1.00 0.32 H new ATOM 0 HG23 VAL A 43 0.870 -4.269 -8.116 1.00 0.32 H new ATOM 659 N TRP A 44 0.061 -7.258 -4.853 1.00 0.23 N ATOM 660 CA TRP A 44 0.040 -8.285 -3.824 1.00 0.27 C ATOM 661 C TRP A 44 -1.233 -8.165 -2.993 1.00 0.28 C ATOM 662 O TRP A 44 -1.926 -9.149 -2.738 1.00 0.33 O ATOM 663 CB TRP A 44 1.272 -8.145 -2.920 1.00 0.31 C ATOM 664 CG TRP A 44 1.399 -9.237 -1.901 1.00 0.41 C ATOM 665 CD1 TRP A 44 0.891 -9.239 -0.633 1.00 0.45 C ATOM 666 CD2 TRP A 44 2.083 -10.483 -2.065 1.00 0.54 C ATOM 667 NE1 TRP A 44 1.213 -10.418 -0.002 1.00 0.56 N ATOM 668 CE2 TRP A 44 1.945 -11.197 -0.860 1.00 0.61 C ATOM 669 CE3 TRP A 44 2.795 -11.064 -3.117 1.00 0.65 C ATOM 670 CZ2 TRP A 44 2.496 -12.464 -0.679 1.00 0.76 C ATOM 671 CZ3 TRP A 44 3.341 -12.322 -2.936 1.00 0.81 C ATOM 672 CH2 TRP A 44 3.189 -13.009 -1.725 1.00 0.85 C ATOM 0 H TRP A 44 0.889 -6.663 -4.831 1.00 0.23 H new ATOM 0 HA TRP A 44 0.060 -9.265 -4.301 1.00 0.27 H new ATOM 0 HB2 TRP A 44 2.168 -8.134 -3.541 1.00 0.31 H new ATOM 0 HB3 TRP A 44 1.228 -7.184 -2.407 1.00 0.31 H new ATOM 0 HD1 TRP A 44 0.321 -8.435 -0.192 1.00 0.45 H new ATOM 0 HE1 TRP A 44 0.950 -10.672 0.950 1.00 0.56 H new ATOM 0 HE3 TRP A 44 2.917 -10.541 -4.054 1.00 0.65 H new ATOM 0 HZ2 TRP A 44 2.380 -12.997 0.253 1.00 0.76 H new ATOM 0 HZ3 TRP A 44 3.894 -12.782 -3.742 1.00 0.81 H new ATOM 0 HH2 TRP A 44 3.628 -13.990 -1.615 1.00 0.85 H new ATOM 683 N ILE A 45 -1.545 -6.941 -2.603 1.00 0.26 N ATOM 684 CA ILE A 45 -2.725 -6.661 -1.803 1.00 0.29 C ATOM 685 C ILE A 45 -4.002 -6.967 -2.582 1.00 0.31 C ATOM 686 O ILE A 45 -4.887 -7.671 -2.101 1.00 0.37 O ATOM 687 CB ILE A 45 -2.738 -5.182 -1.364 1.00 0.31 C ATOM 688 CG1 ILE A 45 -1.647 -4.927 -0.319 1.00 0.36 C ATOM 689 CG2 ILE A 45 -4.101 -4.793 -0.826 1.00 0.36 C ATOM 690 CD1 ILE A 45 -1.489 -3.465 0.050 1.00 0.47 C ATOM 0 H ILE A 45 -0.990 -6.116 -2.831 1.00 0.26 H new ATOM 0 HA ILE A 45 -2.688 -7.302 -0.922 1.00 0.29 H new ATOM 0 HB ILE A 45 -2.531 -4.561 -2.236 1.00 0.31 H new ATOM 0 HG12 ILE A 45 -1.877 -5.497 0.581 1.00 0.36 H new ATOM 0 HG13 ILE A 45 -0.697 -5.302 -0.699 1.00 0.36 H new ATOM 0 HG21 ILE A 45 -4.087 -3.746 -0.522 1.00 0.36 H new ATOM 0 HG22 ILE A 45 -4.853 -4.936 -1.602 1.00 0.36 H new ATOM 0 HG23 ILE A 45 -4.344 -5.417 0.034 1.00 0.36 H new ATOM 0 HD11 ILE A 45 -0.699 -3.361 0.794 1.00 0.47 H new ATOM 0 HD12 ILE A 45 -1.228 -2.891 -0.839 1.00 0.47 H new ATOM 0 HD13 ILE A 45 -2.426 -3.090 0.461 1.00 0.47 H new ATOM 702 N LYS A 46 -4.070 -6.451 -3.792 1.00 0.29 N ATOM 703 CA LYS A 46 -5.274 -6.529 -4.599 1.00 0.35 C ATOM 704 C LYS A 46 -5.562 -7.966 -5.021 1.00 0.39 C ATOM 705 O LYS A 46 -6.617 -8.513 -4.707 1.00 0.44 O ATOM 706 CB LYS A 46 -5.109 -5.628 -5.828 1.00 0.39 C ATOM 707 CG LYS A 46 -6.409 -5.102 -6.415 1.00 0.91 C ATOM 708 CD LYS A 46 -6.132 -3.935 -7.351 1.00 0.91 C ATOM 709 CE LYS A 46 -7.410 -3.240 -7.794 1.00 1.26 C ATOM 710 NZ LYS A 46 -8.143 -4.007 -8.831 1.00 1.93 N ATOM 0 H LYS A 46 -3.295 -5.966 -4.245 1.00 0.29 H new ATOM 0 HA LYS A 46 -6.123 -6.188 -4.006 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -4.480 -4.780 -5.557 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -4.578 -6.185 -6.600 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -6.920 -5.898 -6.957 1.00 0.91 H new ATOM 0 HG3 LYS A 46 -7.075 -4.784 -5.613 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -5.484 -3.216 -6.851 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -5.593 -4.294 -8.228 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -8.058 -3.092 -6.930 1.00 1.26 H new ATOM 0 HE3 LYS A 46 -7.166 -2.251 -8.182 1.00 1.26 H new ATOM 0 HZ1 LYS A 46 -9.100 -3.615 -8.941 1.00 1.93 H new ATOM 0 HZ2 LYS A 46 -7.635 -3.940 -9.736 1.00 1.93 H new ATOM 0 HZ3 LYS A 46 -8.208 -5.004 -8.544 1.00 1.93 H new ATOM 724 N LYS A 47 -4.600 -8.592 -5.678 1.00 0.41 N ATOM 725 CA LYS A 47 -4.826 -9.900 -6.280 1.00 0.52 C ATOM 726 C LYS A 47 -4.761 -11.033 -5.259 1.00 0.57 C ATOM 727 O LYS A 47 -5.480 -12.023 -5.384 1.00 0.78 O ATOM 728 CB LYS A 47 -3.823 -10.159 -7.409 1.00 0.65 C ATOM 729 CG LYS A 47 -3.990 -9.225 -8.597 1.00 1.31 C ATOM 730 CD LYS A 47 -3.087 -9.628 -9.753 1.00 1.66 C ATOM 731 CE LYS A 47 -3.293 -8.731 -10.965 1.00 2.33 C ATOM 732 NZ LYS A 47 -4.707 -8.740 -11.430 1.00 2.96 N ATOM 0 H LYS A 47 -3.659 -8.220 -5.809 1.00 0.41 H new ATOM 0 HA LYS A 47 -5.836 -9.884 -6.689 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -2.812 -10.056 -7.016 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -3.930 -11.189 -7.749 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -5.029 -9.234 -8.925 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -3.761 -8.204 -8.293 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -2.045 -9.578 -9.436 1.00 1.66 H new ATOM 0 HD3 LYS A 47 -3.287 -10.664 -10.028 1.00 1.66 H new ATOM 0 HE2 LYS A 47 -3.000 -7.711 -10.716 1.00 2.33 H new ATOM 0 HE3 LYS A 47 -2.643 -9.061 -11.775 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 -4.758 -8.349 -12.392 1.00 2.96 H new ATOM 0 HZ2 LYS A 47 -5.065 -9.716 -11.433 1.00 2.96 H new ATOM 0 HZ3 LYS A 47 -5.287 -8.161 -10.790 1.00 2.96 H new ATOM 746 N ASN A 48 -3.916 -10.896 -4.249 1.00 0.50 N ATOM 747 CA ASN A 48 -3.693 -11.995 -3.315 1.00 0.58 C ATOM 748 C ASN A 48 -4.480 -11.822 -2.021 1.00 0.58 C ATOM 749 O ASN A 48 -4.907 -12.804 -1.412 1.00 0.77 O ATOM 750 CB ASN A 48 -2.203 -12.142 -2.976 1.00 0.61 C ATOM 751 CG ASN A 48 -1.335 -12.533 -4.164 1.00 1.41 C ATOM 752 OD1 ASN A 48 -1.604 -12.161 -5.309 1.00 2.21 O ATOM 753 ND2 ASN A 48 -0.284 -13.297 -3.901 1.00 2.09 N ATOM 0 H ASN A 48 -3.380 -10.050 -4.054 1.00 0.50 H new ATOM 0 HA ASN A 48 -4.045 -12.896 -3.817 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -1.839 -11.199 -2.567 1.00 0.61 H new ATOM 0 HB3 ASN A 48 -2.091 -12.893 -2.194 1.00 0.61 H new ATOM 0 HD21 ASN A 48 0.332 -13.595 -4.658 1.00 2.09 H new ATOM 0 HD22 ASN A 48 -0.091 -13.586 -2.942 1.00 2.09 H new ATOM 760 N LEU A 49 -4.679 -10.585 -1.593 1.00 0.42 N ATOM 761 CA LEU A 49 -5.227 -10.342 -0.269 1.00 0.44 C ATOM 762 C LEU A 49 -6.704 -9.934 -0.306 1.00 0.39 C ATOM 763 O LEU A 49 -7.440 -10.230 0.636 1.00 0.39 O ATOM 764 CB LEU A 49 -4.389 -9.285 0.455 1.00 0.50 C ATOM 765 CG LEU A 49 -4.660 -9.142 1.954 1.00 0.57 C ATOM 766 CD1 LEU A 49 -4.329 -10.433 2.686 1.00 1.32 C ATOM 767 CD2 LEU A 49 -3.855 -7.985 2.528 1.00 1.10 C ATOM 0 H LEU A 49 -4.473 -9.745 -2.134 1.00 0.42 H new ATOM 0 HA LEU A 49 -5.180 -11.282 0.281 1.00 0.44 H new ATOM 0 HB2 LEU A 49 -3.335 -9.524 0.315 1.00 0.50 H new ATOM 0 HB3 LEU A 49 -4.563 -8.320 -0.021 1.00 0.50 H new ATOM 0 HG LEU A 49 -5.721 -8.933 2.093 1.00 0.57 H new ATOM 0 HD11 LEU A 49 -4.529 -10.309 3.750 1.00 1.32 H new ATOM 0 HD12 LEU A 49 -4.944 -11.242 2.293 1.00 1.32 H new ATOM 0 HD13 LEU A 49 -3.276 -10.674 2.540 1.00 1.32 H new ATOM 0 HD21 LEU A 49 -4.058 -7.895 3.595 1.00 1.10 H new ATOM 0 HD22 LEU A 49 -2.792 -8.170 2.375 1.00 1.10 H new ATOM 0 HD23 LEU A 49 -4.138 -7.060 2.026 1.00 1.10 H new ATOM 779 N LEU A 50 -7.145 -9.265 -1.377 1.00 0.39 N ATOM 780 CA LEU A 50 -8.541 -8.825 -1.468 1.00 0.39 C ATOM 781 C LEU A 50 -9.475 -10.032 -1.412 1.00 0.41 C ATOM 782 O LEU A 50 -9.483 -10.865 -2.320 1.00 0.50 O ATOM 783 CB LEU A 50 -8.790 -8.055 -2.771 1.00 0.47 C ATOM 784 CG LEU A 50 -9.647 -6.786 -2.660 1.00 0.44 C ATOM 785 CD1 LEU A 50 -10.875 -7.015 -1.797 1.00 0.51 C ATOM 786 CD2 LEU A 50 -8.825 -5.635 -2.122 1.00 0.62 C ATOM 0 H LEU A 50 -6.566 -9.020 -2.180 1.00 0.39 H new ATOM 0 HA LEU A 50 -8.741 -8.164 -0.625 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -7.824 -7.779 -3.195 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -9.269 -8.730 -3.481 1.00 0.47 H new ATOM 0 HG LEU A 50 -9.991 -6.531 -3.662 1.00 0.44 H new ATOM 0 HD11 LEU A 50 -11.457 -6.095 -1.741 1.00 0.51 H new ATOM 0 HD12 LEU A 50 -11.485 -7.805 -2.235 1.00 0.51 H new ATOM 0 HD13 LEU A 50 -10.565 -7.310 -0.794 1.00 0.51 H new ATOM 0 HD21 LEU A 50 -9.449 -4.744 -2.050 1.00 0.62 H new ATOM 0 HD22 LEU A 50 -8.443 -5.891 -1.134 1.00 0.62 H new ATOM 0 HD23 LEU A 50 -7.989 -5.439 -2.794 1.00 0.62 H new ATOM 798 N LYS A 51 -10.255 -10.129 -0.347 1.00 0.40 N ATOM 799 CA LYS A 51 -11.162 -11.250 -0.177 1.00 0.47 C ATOM 800 C LYS A 51 -12.401 -11.094 -1.054 1.00 0.52 C ATOM 801 O LYS A 51 -12.983 -12.082 -1.495 1.00 0.63 O ATOM 802 CB LYS A 51 -11.565 -11.390 1.289 1.00 0.52 C ATOM 803 CG LYS A 51 -10.385 -11.591 2.229 1.00 0.57 C ATOM 804 CD LYS A 51 -9.639 -12.891 1.945 1.00 1.08 C ATOM 805 CE LYS A 51 -10.518 -14.112 2.171 1.00 1.81 C ATOM 806 NZ LYS A 51 -9.772 -15.382 1.958 1.00 2.26 N ATOM 0 H LYS A 51 -10.277 -9.446 0.410 1.00 0.40 H new ATOM 0 HA LYS A 51 -10.640 -12.155 -0.487 1.00 0.47 H new ATOM 0 HB2 LYS A 51 -12.113 -10.498 1.593 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -12.247 -12.234 1.391 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -9.698 -10.751 2.132 1.00 0.57 H new ATOM 0 HG3 LYS A 51 -10.740 -11.595 3.260 1.00 0.57 H new ATOM 0 HD2 LYS A 51 -9.282 -12.887 0.915 1.00 1.08 H new ATOM 0 HD3 LYS A 51 -8.760 -12.953 2.587 1.00 1.08 H new ATOM 0 HE2 LYS A 51 -10.915 -14.090 3.186 1.00 1.81 H new ATOM 0 HE3 LYS A 51 -11.372 -14.075 1.494 1.00 1.81 H new ATOM 0 HZ1 LYS A 51 -10.407 -16.189 2.122 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 -9.415 -15.415 0.982 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 -8.972 -15.430 2.621 1.00 2.26 H new ATOM 820 N GLU A 52 -12.792 -9.858 -1.313 1.00 0.52 N ATOM 821 CA GLU A 52 -13.970 -9.590 -2.128 1.00 0.59 C ATOM 822 C GLU A 52 -13.581 -8.927 -3.444 1.00 0.58 C ATOM 823 O GLU A 52 -12.400 -8.860 -3.790 1.00 0.72 O ATOM 824 CB GLU A 52 -14.960 -8.710 -1.362 1.00 0.66 C ATOM 825 CG GLU A 52 -14.384 -7.388 -0.873 1.00 0.64 C ATOM 826 CD GLU A 52 -15.422 -6.566 -0.142 1.00 0.90 C ATOM 827 OE1 GLU A 52 -15.618 -6.792 1.073 1.00 1.16 O ATOM 828 OE2 GLU A 52 -16.070 -5.713 -0.780 1.00 1.15 O ATOM 0 H GLU A 52 -12.314 -9.024 -0.973 1.00 0.52 H new ATOM 0 HA GLU A 52 -14.450 -10.542 -2.354 1.00 0.59 H new ATOM 0 HB2 GLU A 52 -15.815 -8.503 -2.005 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -15.334 -9.268 -0.504 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -13.539 -7.581 -0.211 1.00 0.64 H new ATOM 0 HG3 GLU A 52 -14.001 -6.821 -1.722 1.00 0.64 H new ATOM 835 N ARG A 53 -14.581 -8.461 -4.182 1.00 0.65 N ATOM 836 CA ARG A 53 -14.355 -7.764 -5.443 1.00 0.68 C ATOM 837 C ARG A 53 -13.513 -6.512 -5.234 1.00 0.59 C ATOM 838 O ARG A 53 -13.906 -5.608 -4.505 1.00 0.65 O ATOM 839 CB ARG A 53 -15.682 -7.370 -6.081 1.00 0.87 C ATOM 840 CG ARG A 53 -16.501 -8.540 -6.581 1.00 1.34 C ATOM 841 CD ARG A 53 -17.807 -8.060 -7.181 1.00 1.78 C ATOM 842 NE ARG A 53 -18.572 -9.144 -7.784 1.00 2.46 N ATOM 843 CZ ARG A 53 -19.316 -8.996 -8.876 1.00 3.32 C ATOM 844 NH1 ARG A 53 -19.352 -7.821 -9.495 1.00 3.80 N ATOM 845 NH2 ARG A 53 -20.008 -10.023 -9.359 1.00 4.10 N ATOM 0 H ARG A 53 -15.564 -8.554 -3.927 1.00 0.65 H new ATOM 0 HA ARG A 53 -13.820 -8.446 -6.103 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -16.271 -6.813 -5.353 1.00 0.87 H new ATOM 0 HB3 ARG A 53 -15.486 -6.696 -6.915 1.00 0.87 H new ATOM 0 HG2 ARG A 53 -15.934 -9.095 -7.328 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -16.703 -9.227 -5.759 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -18.407 -7.583 -6.406 1.00 1.78 H new ATOM 0 HD3 ARG A 53 -17.600 -7.301 -7.936 1.00 1.78 H new ATOM 0 HE ARG A 53 -18.535 -10.064 -7.345 1.00 2.46 H new ATOM 0 HH11 ARG A 53 -18.810 -7.037 -9.132 1.00 3.80 H new ATOM 0 HH12 ARG A 53 -19.921 -7.703 -10.333 1.00 3.80 H new ATOM 0 HH21 ARG A 53 -19.969 -10.929 -8.892 1.00 4.10 H new ATOM 0 HH22 ARG A 53 -20.578 -9.905 -10.197 1.00 4.10 H new ATOM 859 N PRO A 54 -12.347 -6.442 -5.886 1.00 0.55 N ATOM 860 CA PRO A 54 -11.432 -5.294 -5.784 1.00 0.53 C ATOM 861 C PRO A 54 -11.956 -4.035 -6.479 1.00 0.57 C ATOM 862 O PRO A 54 -11.317 -2.985 -6.443 1.00 0.59 O ATOM 863 CB PRO A 54 -10.178 -5.773 -6.516 1.00 0.61 C ATOM 864 CG PRO A 54 -10.325 -7.251 -6.637 1.00 0.68 C ATOM 865 CD PRO A 54 -11.797 -7.494 -6.752 1.00 0.65 C ATOM 0 HA PRO A 54 -11.282 -5.012 -4.742 1.00 0.53 H new ATOM 0 HB2 PRO A 54 -10.094 -5.306 -7.497 1.00 0.61 H new ATOM 0 HB3 PRO A 54 -9.277 -5.513 -5.961 1.00 0.61 H new ATOM 0 HG2 PRO A 54 -9.795 -7.629 -7.511 1.00 0.68 H new ATOM 0 HG3 PRO A 54 -9.909 -7.760 -5.767 1.00 0.68 H new ATOM 0 HD2 PRO A 54 -12.147 -7.401 -7.780 1.00 0.65 H new ATOM 0 HD3 PRO A 54 -12.074 -8.491 -6.410 1.00 0.65 H new ATOM 873 N GLU A 55 -13.105 -4.154 -7.123 1.00 0.64 N ATOM 874 CA GLU A 55 -13.665 -3.071 -7.933 1.00 0.75 C ATOM 875 C GLU A 55 -14.008 -1.821 -7.114 1.00 0.69 C ATOM 876 O GLU A 55 -13.889 -0.705 -7.614 1.00 0.80 O ATOM 877 CB GLU A 55 -14.895 -3.559 -8.709 1.00 0.92 C ATOM 878 CG GLU A 55 -15.989 -4.163 -7.842 1.00 1.39 C ATOM 879 CD GLU A 55 -17.199 -4.582 -8.653 1.00 1.89 C ATOM 880 OE1 GLU A 55 -17.209 -5.718 -9.177 1.00 2.43 O ATOM 881 OE2 GLU A 55 -18.143 -3.780 -8.780 1.00 2.27 O ATOM 0 H GLU A 55 -13.678 -4.998 -7.103 1.00 0.64 H new ATOM 0 HA GLU A 55 -12.887 -2.777 -8.637 1.00 0.75 H new ATOM 0 HB2 GLU A 55 -15.313 -2.721 -9.267 1.00 0.92 H new ATOM 0 HB3 GLU A 55 -14.576 -4.302 -9.440 1.00 0.92 H new ATOM 0 HG2 GLU A 55 -15.593 -5.028 -7.311 1.00 1.39 H new ATOM 0 HG3 GLU A 55 -16.293 -3.438 -7.087 1.00 1.39 H new ATOM 888 N LEU A 56 -14.431 -1.991 -5.863 1.00 0.64 N ATOM 889 CA LEU A 56 -14.730 -0.836 -5.018 1.00 0.68 C ATOM 890 C LEU A 56 -13.461 -0.358 -4.320 1.00 0.59 C ATOM 891 O LEU A 56 -13.432 0.707 -3.702 1.00 0.69 O ATOM 892 CB LEU A 56 -15.811 -1.155 -3.978 1.00 0.81 C ATOM 893 CG LEU A 56 -15.330 -1.857 -2.703 1.00 1.09 C ATOM 894 CD1 LEU A 56 -16.392 -1.777 -1.621 1.00 1.86 C ATOM 895 CD2 LEU A 56 -14.983 -3.306 -2.978 1.00 2.05 C ATOM 0 H LEU A 56 -14.573 -2.898 -5.418 1.00 0.64 H new ATOM 0 HA LEU A 56 -15.113 -0.045 -5.663 1.00 0.68 H new ATOM 0 HB2 LEU A 56 -16.300 -0.223 -3.694 1.00 0.81 H new ATOM 0 HB3 LEU A 56 -16.568 -1.781 -4.450 1.00 0.81 H new ATOM 0 HG LEU A 56 -14.431 -1.346 -2.358 1.00 1.09 H new ATOM 0 HD11 LEU A 56 -16.035 -2.280 -0.723 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -16.601 -0.732 -1.393 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -17.304 -2.262 -1.970 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -14.645 -3.780 -2.057 1.00 2.05 H new ATOM 0 HD22 LEU A 56 -15.865 -3.827 -3.352 1.00 2.05 H new ATOM 0 HD23 LEU A 56 -14.190 -3.355 -3.724 1.00 2.05 H new ATOM 907 N PHE A 57 -12.415 -1.154 -4.452 1.00 0.47 N ATOM 908 CA PHE A 57 -11.128 -0.871 -3.846 1.00 0.41 C ATOM 909 C PHE A 57 -10.323 0.047 -4.788 1.00 0.37 C ATOM 910 O PHE A 57 -10.890 0.632 -5.711 1.00 0.37 O ATOM 911 CB PHE A 57 -10.436 -2.218 -3.532 1.00 0.38 C ATOM 912 CG PHE A 57 -9.114 -2.135 -2.817 1.00 0.35 C ATOM 913 CD1 PHE A 57 -9.026 -1.538 -1.569 1.00 0.35 C ATOM 914 CD2 PHE A 57 -7.961 -2.627 -3.402 1.00 0.37 C ATOM 915 CE1 PHE A 57 -7.811 -1.439 -0.917 1.00 0.36 C ATOM 916 CE2 PHE A 57 -6.744 -2.529 -2.755 1.00 0.38 C ATOM 917 CZ PHE A 57 -6.679 -2.027 -1.482 1.00 0.35 C ATOM 0 H PHE A 57 -12.436 -2.022 -4.987 1.00 0.47 H new ATOM 0 HA PHE A 57 -11.222 -0.333 -2.903 1.00 0.41 H new ATOM 0 HB2 PHE A 57 -11.115 -2.819 -2.928 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -10.285 -2.753 -4.470 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -9.917 -1.146 -1.101 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -8.013 -3.093 -4.375 1.00 0.37 H new ATOM 0 HE1 PHE A 57 -7.739 -0.911 0.022 1.00 0.36 H new ATOM 0 HE2 PHE A 57 -5.841 -2.849 -3.254 1.00 0.38 H new ATOM 0 HZ PHE A 57 -5.759 -2.086 -0.920 1.00 0.35 H new ATOM 927 N ILE A 58 -9.029 0.189 -4.556 1.00 0.36 N ATOM 928 CA ILE A 58 -8.215 1.181 -5.260 1.00 0.36 C ATOM 929 C ILE A 58 -7.832 0.732 -6.665 1.00 0.30 C ATOM 930 O ILE A 58 -7.949 -0.442 -7.011 1.00 0.30 O ATOM 931 CB ILE A 58 -6.918 1.495 -4.488 1.00 0.45 C ATOM 932 CG1 ILE A 58 -6.079 0.232 -4.341 1.00 0.51 C ATOM 933 CG2 ILE A 58 -7.232 2.086 -3.130 1.00 0.97 C ATOM 934 CD1 ILE A 58 -4.837 0.414 -3.498 1.00 0.90 C ATOM 0 H ILE A 58 -8.511 -0.373 -3.881 1.00 0.36 H new ATOM 0 HA ILE A 58 -8.838 2.073 -5.329 1.00 0.36 H new ATOM 0 HB ILE A 58 -6.347 2.232 -5.053 1.00 0.45 H new ATOM 0 HG12 ILE A 58 -6.694 -0.551 -3.899 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -5.786 -0.115 -5.332 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -6.302 2.300 -2.603 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -7.798 3.009 -3.257 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -7.822 1.375 -2.552 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -4.294 -0.530 -3.441 1.00 0.90 H new ATOM 0 HD12 ILE A 58 -4.199 1.173 -3.950 1.00 0.90 H new ATOM 0 HD13 ILE A 58 -5.122 0.730 -2.494 1.00 0.90 H new ATOM 946 N GLN A 59 -7.385 1.701 -7.463 1.00 0.31 N ATOM 947 CA GLN A 59 -6.934 1.458 -8.830 1.00 0.30 C ATOM 948 C GLN A 59 -5.739 0.518 -8.807 1.00 0.27 C ATOM 949 O GLN A 59 -4.964 0.532 -7.850 1.00 0.29 O ATOM 950 CB GLN A 59 -6.520 2.779 -9.500 1.00 0.39 C ATOM 951 CG GLN A 59 -5.238 3.380 -8.926 1.00 0.56 C ATOM 952 CD GLN A 59 -4.839 4.689 -9.580 1.00 0.60 C ATOM 953 OE1 GLN A 59 -5.686 5.440 -10.058 1.00 1.35 O ATOM 954 NE2 GLN A 59 -3.541 4.992 -9.577 1.00 0.58 N ATOM 0 H GLN A 59 -7.326 2.678 -7.178 1.00 0.31 H new ATOM 0 HA GLN A 59 -7.752 1.012 -9.396 1.00 0.30 H new ATOM 0 HB2 GLN A 59 -6.385 2.608 -10.568 1.00 0.39 H new ATOM 0 HB3 GLN A 59 -7.330 3.501 -9.392 1.00 0.39 H new ATOM 0 HG2 GLN A 59 -5.369 3.542 -7.856 1.00 0.56 H new ATOM 0 HG3 GLN A 59 -4.426 2.662 -9.042 1.00 0.56 H new ATOM 0 HE21 GLN A 59 -2.867 4.343 -9.171 1.00 0.58 H new ATOM 0 HE22 GLN A 59 -3.222 5.873 -9.981 1.00 0.58 H new ATOM 963 N GLY A 60 -5.607 -0.310 -9.836 1.00 0.32 N ATOM 964 CA GLY A 60 -4.516 -1.272 -9.894 1.00 0.38 C ATOM 965 C GLY A 60 -3.149 -0.637 -10.123 1.00 0.37 C ATOM 966 O GLY A 60 -2.318 -1.189 -10.838 1.00 0.55 O ATOM 0 H GLY A 60 -6.238 -0.334 -10.637 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -4.492 -1.837 -8.962 1.00 0.38 H new ATOM 0 HA3 GLY A 60 -4.714 -1.985 -10.695 1.00 0.38 H new ATOM 970 N ASP A 61 -2.908 0.505 -9.495 1.00 0.40 N ATOM 971 CA ASP A 61 -1.643 1.214 -9.638 1.00 0.46 C ATOM 972 C ASP A 61 -1.240 1.863 -8.321 1.00 0.44 C ATOM 973 O ASP A 61 -0.185 1.559 -7.775 1.00 0.54 O ATOM 974 CB ASP A 61 -1.727 2.278 -10.739 1.00 0.55 C ATOM 975 CG ASP A 61 -1.677 1.687 -12.137 1.00 0.81 C ATOM 976 OD1 ASP A 61 -0.564 1.476 -12.662 1.00 1.06 O ATOM 977 OD2 ASP A 61 -2.756 1.418 -12.710 1.00 0.96 O ATOM 0 H ASP A 61 -3.577 0.964 -8.877 1.00 0.40 H new ATOM 0 HA ASP A 61 -0.885 0.484 -9.920 1.00 0.46 H new ATOM 0 HB2 ASP A 61 -2.652 2.843 -10.622 1.00 0.55 H new ATOM 0 HB3 ASP A 61 -0.905 2.984 -10.619 1.00 0.55 H new ATOM 982 N SER A 62 -2.106 2.730 -7.792 1.00 0.40 N ATOM 983 CA SER A 62 -1.798 3.470 -6.567 1.00 0.46 C ATOM 984 C SER A 62 -2.981 3.418 -5.593 1.00 0.47 C ATOM 985 O SER A 62 -2.987 2.630 -4.657 1.00 0.70 O ATOM 986 CB SER A 62 -1.436 4.926 -6.905 1.00 0.53 C ATOM 987 OG SER A 62 -0.827 5.582 -5.810 1.00 0.80 O ATOM 0 H SER A 62 -3.022 2.936 -8.191 1.00 0.40 H new ATOM 0 HA SER A 62 -0.941 3.002 -6.083 1.00 0.46 H new ATOM 0 HB2 SER A 62 -0.761 4.944 -7.761 1.00 0.53 H new ATOM 0 HB3 SER A 62 -2.336 5.466 -7.198 1.00 0.53 H new ATOM 0 HG SER A 62 -0.841 6.550 -5.960 1.00 0.80 H new ATOM 993 N VAL A 63 -3.978 4.262 -5.833 1.00 0.38 N ATOM 994 CA VAL A 63 -5.215 4.285 -5.045 1.00 0.37 C ATOM 995 C VAL A 63 -6.333 4.872 -5.876 1.00 0.40 C ATOM 996 O VAL A 63 -6.088 5.554 -6.870 1.00 0.52 O ATOM 997 CB VAL A 63 -5.126 5.152 -3.770 1.00 0.53 C ATOM 998 CG1 VAL A 63 -4.203 4.559 -2.726 1.00 0.83 C ATOM 999 CG2 VAL A 63 -4.706 6.563 -4.119 1.00 0.78 C ATOM 0 H VAL A 63 -3.956 4.954 -6.582 1.00 0.38 H new ATOM 0 HA VAL A 63 -5.394 3.250 -4.755 1.00 0.37 H new ATOM 0 HB VAL A 63 -6.123 5.176 -3.329 1.00 0.53 H new ATOM 0 HG11 VAL A 63 -4.178 5.209 -1.851 1.00 0.83 H new ATOM 0 HG12 VAL A 63 -4.568 3.574 -2.436 1.00 0.83 H new ATOM 0 HG13 VAL A 63 -3.198 4.467 -3.139 1.00 0.83 H new ATOM 0 HG21 VAL A 63 -4.648 7.161 -3.209 1.00 0.78 H new ATOM 0 HG22 VAL A 63 -3.729 6.543 -4.603 1.00 0.78 H new ATOM 0 HG23 VAL A 63 -5.438 7.003 -4.797 1.00 0.78 H new ATOM 1009 N ARG A 64 -7.555 4.608 -5.470 1.00 0.36 N ATOM 1010 CA ARG A 64 -8.679 5.371 -5.964 1.00 0.40 C ATOM 1011 C ARG A 64 -8.812 6.590 -5.063 1.00 0.40 C ATOM 1012 O ARG A 64 -8.406 6.522 -3.904 1.00 0.40 O ATOM 1013 CB ARG A 64 -9.970 4.543 -5.943 1.00 0.41 C ATOM 1014 CG ARG A 64 -10.406 4.112 -4.552 1.00 0.36 C ATOM 1015 CD ARG A 64 -11.781 3.465 -4.578 1.00 0.45 C ATOM 1016 NE ARG A 64 -12.799 4.368 -5.116 1.00 1.05 N ATOM 1017 CZ ARG A 64 -14.004 3.980 -5.536 1.00 1.39 C ATOM 1018 NH1 ARG A 64 -14.362 2.707 -5.459 1.00 1.63 N ATOM 1019 NH2 ARG A 64 -14.846 4.874 -6.039 1.00 2.05 N ATOM 0 H ARG A 64 -7.795 3.875 -4.803 1.00 0.36 H new ATOM 0 HA ARG A 64 -8.513 5.663 -7.001 1.00 0.40 H new ATOM 0 HB2 ARG A 64 -10.770 5.125 -6.399 1.00 0.41 H new ATOM 0 HB3 ARG A 64 -9.830 3.655 -6.560 1.00 0.41 H new ATOM 0 HG2 ARG A 64 -9.680 3.410 -4.142 1.00 0.36 H new ATOM 0 HG3 ARG A 64 -10.422 4.977 -3.889 1.00 0.36 H new ATOM 0 HD2 ARG A 64 -11.744 2.558 -5.182 1.00 0.45 H new ATOM 0 HD3 ARG A 64 -12.060 3.164 -3.568 1.00 0.45 H new ATOM 0 HE ARG A 64 -12.572 5.361 -5.174 1.00 1.05 H new ATOM 0 HH11 ARG A 64 -13.715 2.017 -5.077 1.00 1.63 H new ATOM 0 HH12 ARG A 64 -15.285 2.416 -5.782 1.00 1.63 H new ATOM 0 HH21 ARG A 64 -14.571 5.854 -6.103 1.00 2.05 H new ATOM 0 HH22 ARG A 64 -15.768 4.581 -6.361 1.00 2.05 H new ATOM 1033 N PRO A 65 -9.354 7.712 -5.562 1.00 0.49 N ATOM 1034 CA PRO A 65 -9.523 8.938 -4.760 1.00 0.53 C ATOM 1035 C PRO A 65 -10.207 8.673 -3.417 1.00 0.44 C ATOM 1036 O PRO A 65 -10.071 9.446 -2.467 1.00 0.51 O ATOM 1037 CB PRO A 65 -10.418 9.819 -5.627 1.00 0.65 C ATOM 1038 CG PRO A 65 -10.234 9.332 -7.023 1.00 0.72 C ATOM 1039 CD PRO A 65 -9.822 7.886 -6.947 1.00 0.61 C ATOM 0 HA PRO A 65 -8.560 9.386 -4.514 1.00 0.53 H new ATOM 0 HB2 PRO A 65 -11.461 9.740 -5.319 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -10.138 10.869 -5.539 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -11.158 9.438 -7.591 1.00 0.72 H new ATOM 0 HG3 PRO A 65 -9.474 9.921 -7.537 1.00 0.72 H new ATOM 0 HD2 PRO A 65 -10.657 7.222 -7.171 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -9.034 7.659 -7.665 1.00 0.61 H new ATOM 1047 N GLY A 66 -10.949 7.576 -3.365 1.00 0.35 N ATOM 1048 CA GLY A 66 -11.644 7.185 -2.163 1.00 0.32 C ATOM 1049 C GLY A 66 -10.720 6.737 -1.040 1.00 0.25 C ATOM 1050 O GLY A 66 -11.002 6.992 0.130 1.00 0.27 O ATOM 0 H GLY A 66 -11.081 6.941 -4.152 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -12.246 8.023 -1.813 1.00 0.32 H new ATOM 0 HA3 GLY A 66 -12.333 6.374 -2.400 1.00 0.32 H new ATOM 1054 N ILE A 67 -9.629 6.054 -1.370 1.00 0.28 N ATOM 1055 CA ILE A 67 -8.694 5.612 -0.351 1.00 0.23 C ATOM 1056 C ILE A 67 -7.418 6.432 -0.392 1.00 0.24 C ATOM 1057 O ILE A 67 -6.749 6.521 -1.418 1.00 0.32 O ATOM 1058 CB ILE A 67 -8.363 4.125 -0.521 1.00 0.25 C ATOM 1059 CG1 ILE A 67 -9.666 3.329 -0.548 1.00 0.32 C ATOM 1060 CG2 ILE A 67 -7.445 3.642 0.595 1.00 0.21 C ATOM 1061 CD1 ILE A 67 -9.473 1.835 -0.632 1.00 0.34 C ATOM 0 H ILE A 67 -9.375 5.799 -2.324 1.00 0.28 H new ATOM 0 HA ILE A 67 -9.171 5.757 0.619 1.00 0.23 H new ATOM 0 HB ILE A 67 -7.832 3.975 -1.461 1.00 0.25 H new ATOM 0 HG12 ILE A 67 -10.240 3.561 0.350 1.00 0.32 H new ATOM 0 HG13 ILE A 67 -10.262 3.656 -1.400 1.00 0.32 H new ATOM 0 HG21 ILE A 67 -7.224 2.584 0.452 1.00 0.21 H new ATOM 0 HG22 ILE A 67 -6.516 4.212 0.575 1.00 0.21 H new ATOM 0 HG23 ILE A 67 -7.937 3.784 1.557 1.00 0.21 H new ATOM 0 HD11 ILE A 67 -10.445 1.343 -0.647 1.00 0.34 H new ATOM 0 HD12 ILE A 67 -8.928 1.589 -1.543 1.00 0.34 H new ATOM 0 HD13 ILE A 67 -8.906 1.492 0.233 1.00 0.34 H new ATOM 1073 N LEU A 68 -7.094 7.021 0.738 1.00 0.23 N ATOM 1074 CA LEU A 68 -5.908 7.849 0.867 1.00 0.29 C ATOM 1075 C LEU A 68 -4.783 7.024 1.470 1.00 0.28 C ATOM 1076 O LEU A 68 -4.988 6.328 2.462 1.00 0.41 O ATOM 1077 CB LEU A 68 -6.203 9.061 1.760 1.00 0.37 C ATOM 1078 CG LEU A 68 -7.485 9.832 1.425 1.00 0.40 C ATOM 1079 CD1 LEU A 68 -7.687 10.978 2.404 1.00 0.50 C ATOM 1080 CD2 LEU A 68 -7.450 10.352 -0.005 1.00 0.44 C ATOM 0 H LEU A 68 -7.642 6.942 1.594 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.610 8.207 -0.119 1.00 0.29 H new ATOM 0 HB2 LEU A 68 -6.264 8.722 2.794 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -5.360 9.749 1.699 1.00 0.37 H new ATOM 0 HG LEU A 68 -8.327 9.146 1.515 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -8.601 11.515 2.152 1.00 0.50 H new ATOM 0 HD12 LEU A 68 -7.766 10.582 3.416 1.00 0.50 H new ATOM 0 HD13 LEU A 68 -6.838 11.660 2.346 1.00 0.50 H new ATOM 0 HD21 LEU A 68 -8.371 10.895 -0.217 1.00 0.44 H new ATOM 0 HD22 LEU A 68 -6.598 11.020 -0.128 1.00 0.44 H new ATOM 0 HD23 LEU A 68 -7.356 9.513 -0.695 1.00 0.44 H new ATOM 1092 N VAL A 69 -3.609 7.081 0.870 1.00 0.25 N ATOM 1093 CA VAL A 69 -2.476 6.324 1.368 1.00 0.27 C ATOM 1094 C VAL A 69 -1.404 7.232 1.939 1.00 0.19 C ATOM 1095 O VAL A 69 -0.929 8.156 1.283 1.00 0.21 O ATOM 1096 CB VAL A 69 -1.867 5.413 0.280 1.00 0.44 C ATOM 1097 CG1 VAL A 69 -0.446 4.990 0.630 1.00 1.05 C ATOM 1098 CG2 VAL A 69 -2.732 4.185 0.110 1.00 0.81 C ATOM 0 H VAL A 69 -3.415 7.641 0.040 1.00 0.25 H new ATOM 0 HA VAL A 69 -2.858 5.691 2.169 1.00 0.27 H new ATOM 0 HB VAL A 69 -1.829 5.979 -0.651 1.00 0.44 H new ATOM 0 HG11 VAL A 69 -0.052 4.350 -0.160 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.183 5.875 0.728 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.451 4.442 1.572 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -2.303 3.541 -0.658 1.00 0.81 H new ATOM 0 HG22 VAL A 69 -2.781 3.641 1.053 1.00 0.81 H new ATOM 0 HG23 VAL A 69 -3.736 4.486 -0.188 1.00 0.81 H new ATOM 1108 N LEU A 70 -1.039 6.964 3.174 1.00 0.18 N ATOM 1109 CA LEU A 70 0.077 7.636 3.791 1.00 0.16 C ATOM 1110 C LEU A 70 1.359 6.911 3.438 1.00 0.15 C ATOM 1111 O LEU A 70 1.514 5.732 3.740 1.00 0.19 O ATOM 1112 CB LEU A 70 -0.076 7.688 5.312 1.00 0.22 C ATOM 1113 CG LEU A 70 -1.237 8.532 5.834 1.00 0.36 C ATOM 1114 CD1 LEU A 70 -1.216 8.560 7.354 1.00 0.95 C ATOM 1115 CD2 LEU A 70 -1.171 9.942 5.271 1.00 0.90 C ATOM 0 H LEU A 70 -1.504 6.280 3.771 1.00 0.18 H new ATOM 0 HA LEU A 70 0.108 8.659 3.417 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -0.197 6.670 5.681 1.00 0.22 H new ATOM 0 HB3 LEU A 70 0.850 8.074 5.739 1.00 0.22 H new ATOM 0 HG LEU A 70 -2.173 8.081 5.505 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -2.047 9.164 7.718 1.00 0.95 H new ATOM 0 HD12 LEU A 70 -1.310 7.544 7.738 1.00 0.95 H new ATOM 0 HD13 LEU A 70 -0.276 8.992 7.697 1.00 0.95 H new ATOM 0 HD21 LEU A 70 -2.007 10.527 5.655 1.00 0.90 H new ATOM 0 HD22 LEU A 70 -0.233 10.410 5.570 1.00 0.90 H new ATOM 0 HD23 LEU A 70 -1.226 9.902 4.183 1.00 0.90 H new ATOM 1127 N ILE A 71 2.250 7.602 2.759 1.00 0.14 N ATOM 1128 CA ILE A 71 3.584 7.086 2.533 1.00 0.17 C ATOM 1129 C ILE A 71 4.459 7.527 3.685 1.00 0.20 C ATOM 1130 O ILE A 71 4.750 8.720 3.818 1.00 0.24 O ATOM 1131 CB ILE A 71 4.201 7.577 1.209 1.00 0.20 C ATOM 1132 CG1 ILE A 71 3.334 7.151 0.015 1.00 0.18 C ATOM 1133 CG2 ILE A 71 5.621 7.040 1.074 1.00 0.28 C ATOM 1134 CD1 ILE A 71 3.364 5.669 -0.282 1.00 0.20 C ATOM 0 H ILE A 71 2.075 8.522 2.354 1.00 0.14 H new ATOM 0 HA ILE A 71 3.519 6.000 2.467 1.00 0.17 H new ATOM 0 HB ILE A 71 4.239 8.666 1.217 1.00 0.20 H new ATOM 0 HG12 ILE A 71 2.303 7.450 0.205 1.00 0.18 H new ATOM 0 HG13 ILE A 71 3.665 7.693 -0.871 1.00 0.18 H new ATOM 0 HG21 ILE A 71 6.054 7.389 0.137 1.00 0.28 H new ATOM 0 HG22 ILE A 71 6.226 7.396 1.908 1.00 0.28 H new ATOM 0 HG23 ILE A 71 5.600 5.950 1.080 1.00 0.28 H new ATOM 0 HD11 ILE A 71 2.725 5.457 -1.139 1.00 0.20 H new ATOM 0 HD12 ILE A 71 4.386 5.364 -0.507 1.00 0.20 H new ATOM 0 HD13 ILE A 71 3.003 5.117 0.586 1.00 0.20 H new ATOM 1146 N ASN A 72 4.807 6.574 4.541 1.00 0.22 N ATOM 1147 CA ASN A 72 5.581 6.830 5.752 1.00 0.28 C ATOM 1148 C ASN A 72 4.677 7.437 6.803 1.00 0.27 C ATOM 1149 O ASN A 72 4.539 6.891 7.897 1.00 0.31 O ATOM 1150 CB ASN A 72 6.779 7.743 5.476 1.00 0.41 C ATOM 1151 CG ASN A 72 7.995 7.367 6.283 1.00 1.04 C ATOM 1152 OD1 ASN A 72 8.199 7.840 7.402 1.00 1.94 O ATOM 1153 ND2 ASN A 72 8.809 6.511 5.704 1.00 1.33 N ATOM 0 H ASN A 72 4.558 5.593 4.414 1.00 0.22 H new ATOM 0 HA ASN A 72 5.979 5.883 6.115 1.00 0.28 H new ATOM 0 HB2 ASN A 72 7.025 7.702 4.415 1.00 0.41 H new ATOM 0 HB3 ASN A 72 6.504 8.774 5.700 1.00 0.41 H new ATOM 0 HD21 ASN A 72 9.657 6.209 6.184 1.00 1.33 H new ATOM 0 HD22 ASN A 72 8.592 6.150 4.775 1.00 1.33 H new ATOM 1160 N ASP A 73 4.063 8.560 6.432 1.00 0.26 N ATOM 1161 CA ASP A 73 3.041 9.237 7.235 1.00 0.29 C ATOM 1162 C ASP A 73 2.598 10.521 6.520 1.00 0.28 C ATOM 1163 O ASP A 73 2.161 11.486 7.145 1.00 0.36 O ATOM 1164 CB ASP A 73 3.574 9.560 8.640 1.00 0.36 C ATOM 1165 CG ASP A 73 2.513 10.118 9.573 1.00 0.62 C ATOM 1166 OD1 ASP A 73 1.426 9.511 9.668 1.00 1.03 O ATOM 1167 OD2 ASP A 73 2.752 11.167 10.207 1.00 0.65 O ATOM 0 H ASP A 73 4.264 9.034 5.551 1.00 0.26 H new ATOM 0 HA ASP A 73 2.184 8.574 7.348 1.00 0.29 H new ATOM 0 HB2 ASP A 73 3.993 8.655 9.079 1.00 0.36 H new ATOM 0 HB3 ASP A 73 4.388 10.280 8.555 1.00 0.36 H new ATOM 1172 N ALA A 74 2.693 10.527 5.192 1.00 0.27 N ATOM 1173 CA ALA A 74 2.368 11.726 4.416 1.00 0.29 C ATOM 1174 C ALA A 74 1.607 11.376 3.140 1.00 0.25 C ATOM 1175 O ALA A 74 1.534 10.208 2.761 1.00 0.20 O ATOM 1176 CB ALA A 74 3.637 12.490 4.082 1.00 0.33 C ATOM 0 H ALA A 74 2.989 9.726 4.634 1.00 0.27 H new ATOM 0 HA ALA A 74 1.721 12.357 5.025 1.00 0.29 H new ATOM 0 HB1 ALA A 74 3.385 13.380 3.505 1.00 0.33 H new ATOM 0 HB2 ALA A 74 4.137 12.785 5.004 1.00 0.33 H new ATOM 0 HB3 ALA A 74 4.301 11.854 3.497 1.00 0.33 H new ATOM 1182 N ASP A 75 1.047 12.396 2.484 1.00 0.30 N ATOM 1183 CA ASP A 75 0.265 12.206 1.258 1.00 0.29 C ATOM 1184 C ASP A 75 1.082 11.523 0.168 1.00 0.23 C ATOM 1185 O ASP A 75 2.036 12.091 -0.363 1.00 0.24 O ATOM 1186 CB ASP A 75 -0.267 13.541 0.724 1.00 0.36 C ATOM 1187 CG ASP A 75 -1.550 13.986 1.399 1.00 0.47 C ATOM 1188 OD1 ASP A 75 -1.476 14.578 2.495 1.00 0.62 O ATOM 1189 OD2 ASP A 75 -2.637 13.755 0.832 1.00 0.61 O ATOM 0 H ASP A 75 1.121 13.368 2.784 1.00 0.30 H new ATOM 0 HA ASP A 75 -0.575 11.564 1.523 1.00 0.29 H new ATOM 0 HB2 ASP A 75 0.494 14.309 0.862 1.00 0.36 H new ATOM 0 HB3 ASP A 75 -0.440 13.453 -0.349 1.00 0.36 H new ATOM 1194 N TRP A 76 0.682 10.304 -0.157 1.00 0.21 N ATOM 1195 CA TRP A 76 1.334 9.492 -1.180 1.00 0.17 C ATOM 1196 C TRP A 76 1.554 10.257 -2.488 1.00 0.16 C ATOM 1197 O TRP A 76 2.662 10.271 -3.025 1.00 0.14 O ATOM 1198 CB TRP A 76 0.496 8.230 -1.447 1.00 0.20 C ATOM 1199 CG TRP A 76 -0.811 8.478 -2.166 1.00 0.22 C ATOM 1200 CD1 TRP A 76 -1.147 7.999 -3.396 1.00 0.28 C ATOM 1201 CD2 TRP A 76 -1.941 9.266 -1.731 1.00 0.25 C ATOM 1202 NE1 TRP A 76 -2.388 8.443 -3.758 1.00 0.33 N ATOM 1203 CE2 TRP A 76 -2.902 9.208 -2.754 1.00 0.30 C ATOM 1204 CE3 TRP A 76 -2.236 10.011 -0.584 1.00 0.27 C ATOM 1205 CZ2 TRP A 76 -4.128 9.860 -2.667 1.00 0.34 C ATOM 1206 CZ3 TRP A 76 -3.454 10.655 -0.498 1.00 0.32 C ATOM 1207 CH2 TRP A 76 -4.386 10.575 -1.534 1.00 0.34 C ATOM 0 H TRP A 76 -0.113 9.843 0.285 1.00 0.21 H new ATOM 0 HA TRP A 76 2.318 9.219 -0.800 1.00 0.17 H new ATOM 0 HB2 TRP A 76 1.092 7.533 -2.036 1.00 0.20 H new ATOM 0 HB3 TRP A 76 0.284 7.743 -0.495 1.00 0.20 H new ATOM 0 HD1 TRP A 76 -0.521 7.359 -4.000 1.00 0.28 H new ATOM 0 HE1 TRP A 76 -2.856 8.235 -4.640 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.521 10.081 0.222 1.00 0.27 H new ATOM 0 HZ2 TRP A 76 -4.850 9.802 -3.468 1.00 0.34 H new ATOM 0 HZ3 TRP A 76 -3.690 11.230 0.385 1.00 0.32 H new ATOM 0 HH2 TRP A 76 -5.331 11.090 -1.437 1.00 0.34 H new ATOM 1218 N GLU A 77 0.509 10.908 -2.973 1.00 0.19 N ATOM 1219 CA GLU A 77 0.520 11.534 -4.287 1.00 0.21 C ATOM 1220 C GLU A 77 1.551 12.660 -4.360 1.00 0.21 C ATOM 1221 O GLU A 77 2.091 12.963 -5.424 1.00 0.27 O ATOM 1222 CB GLU A 77 -0.870 12.075 -4.607 1.00 0.28 C ATOM 1223 CG GLU A 77 -1.435 12.979 -3.525 1.00 0.49 C ATOM 1224 CD GLU A 77 -2.786 13.546 -3.900 1.00 0.52 C ATOM 1225 OE1 GLU A 77 -2.833 14.623 -4.527 1.00 0.82 O ATOM 1226 OE2 GLU A 77 -3.808 12.917 -3.573 1.00 0.74 O ATOM 0 H GLU A 77 -0.370 11.018 -2.468 1.00 0.19 H new ATOM 0 HA GLU A 77 0.799 10.780 -5.023 1.00 0.21 H new ATOM 0 HB2 GLU A 77 -0.828 12.628 -5.545 1.00 0.28 H new ATOM 0 HB3 GLU A 77 -1.550 11.237 -4.761 1.00 0.28 H new ATOM 0 HG2 GLU A 77 -1.524 12.417 -2.595 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -0.739 13.797 -3.338 1.00 0.49 H new ATOM 1233 N LEU A 78 1.827 13.265 -3.216 1.00 0.24 N ATOM 1234 CA LEU A 78 2.756 14.383 -3.143 1.00 0.29 C ATOM 1235 C LEU A 78 4.174 13.887 -2.908 1.00 0.25 C ATOM 1236 O LEU A 78 5.126 14.668 -2.907 1.00 0.35 O ATOM 1237 CB LEU A 78 2.349 15.334 -2.016 1.00 0.47 C ATOM 1238 CG LEU A 78 0.967 15.970 -2.169 1.00 0.55 C ATOM 1239 CD1 LEU A 78 0.642 16.839 -0.965 1.00 1.12 C ATOM 1240 CD2 LEU A 78 0.901 16.787 -3.448 1.00 1.00 C ATOM 0 H LEU A 78 1.419 12.999 -2.320 1.00 0.24 H new ATOM 0 HA LEU A 78 2.724 14.917 -4.093 1.00 0.29 H new ATOM 0 HB2 LEU A 78 2.378 14.788 -1.073 1.00 0.47 H new ATOM 0 HB3 LEU A 78 3.092 16.129 -1.947 1.00 0.47 H new ATOM 0 HG LEU A 78 0.225 15.174 -2.227 1.00 0.55 H new ATOM 0 HD11 LEU A 78 -0.345 17.283 -1.093 1.00 1.12 H new ATOM 0 HD12 LEU A 78 0.651 16.228 -0.062 1.00 1.12 H new ATOM 0 HD13 LEU A 78 1.387 17.630 -0.876 1.00 1.12 H new ATOM 0 HD21 LEU A 78 -0.089 17.234 -3.544 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.653 17.575 -3.416 1.00 1.00 H new ATOM 0 HD23 LEU A 78 1.091 16.139 -4.304 1.00 1.00 H new ATOM 1252 N LEU A 79 4.311 12.586 -2.711 1.00 0.20 N ATOM 1253 CA LEU A 79 5.601 12.000 -2.391 1.00 0.20 C ATOM 1254 C LEU A 79 6.123 11.107 -3.520 1.00 0.20 C ATOM 1255 O LEU A 79 7.333 10.991 -3.713 1.00 0.22 O ATOM 1256 CB LEU A 79 5.496 11.200 -1.087 1.00 0.22 C ATOM 1257 CG LEU A 79 5.845 11.968 0.196 1.00 0.38 C ATOM 1258 CD1 LEU A 79 4.913 13.151 0.405 1.00 0.79 C ATOM 1259 CD2 LEU A 79 5.799 11.038 1.398 1.00 0.75 C ATOM 0 H LEU A 79 3.544 11.916 -2.767 1.00 0.20 H new ATOM 0 HA LEU A 79 6.315 12.814 -2.267 1.00 0.20 H new ATOM 0 HB2 LEU A 79 4.478 10.821 -0.996 1.00 0.22 H new ATOM 0 HB3 LEU A 79 6.153 10.334 -1.160 1.00 0.22 H new ATOM 0 HG LEU A 79 6.858 12.356 0.088 1.00 0.38 H new ATOM 0 HD11 LEU A 79 5.187 13.673 1.322 1.00 0.79 H new ATOM 0 HD12 LEU A 79 4.997 13.834 -0.440 1.00 0.79 H new ATOM 0 HD13 LEU A 79 3.886 12.795 0.484 1.00 0.79 H new ATOM 0 HD21 LEU A 79 6.049 11.597 2.300 1.00 0.75 H new ATOM 0 HD22 LEU A 79 4.797 10.619 1.496 1.00 0.75 H new ATOM 0 HD23 LEU A 79 6.518 10.230 1.261 1.00 0.75 H new ATOM 1271 N GLY A 80 5.218 10.496 -4.274 1.00 0.20 N ATOM 1272 CA GLY A 80 5.632 9.613 -5.355 1.00 0.22 C ATOM 1273 C GLY A 80 4.699 8.433 -5.517 1.00 0.19 C ATOM 1274 O GLY A 80 4.659 7.805 -6.577 1.00 0.22 O ATOM 0 H GLY A 80 4.209 10.593 -4.160 1.00 0.20 H new ATOM 0 HA2 GLY A 80 5.669 10.176 -6.288 1.00 0.22 H new ATOM 0 HA3 GLY A 80 6.642 9.252 -5.160 1.00 0.22 H new ATOM 1278 N GLU A 81 3.947 8.153 -4.447 1.00 0.17 N ATOM 1279 CA GLU A 81 2.904 7.121 -4.410 1.00 0.20 C ATOM 1280 C GLU A 81 3.308 5.803 -5.085 1.00 0.16 C ATOM 1281 O GLU A 81 4.363 5.249 -4.783 1.00 0.17 O ATOM 1282 CB GLU A 81 1.580 7.667 -4.975 1.00 0.33 C ATOM 1283 CG GLU A 81 1.705 8.447 -6.270 1.00 0.48 C ATOM 1284 CD GLU A 81 0.364 8.819 -6.864 1.00 0.38 C ATOM 1285 OE1 GLU A 81 -0.485 7.920 -7.029 1.00 0.58 O ATOM 1286 OE2 GLU A 81 0.142 10.013 -7.154 1.00 0.41 O ATOM 0 H GLU A 81 4.049 8.649 -3.562 1.00 0.17 H new ATOM 0 HA GLU A 81 2.760 6.870 -3.359 1.00 0.20 H new ATOM 0 HB2 GLU A 81 0.900 6.831 -5.137 1.00 0.33 H new ATOM 0 HB3 GLU A 81 1.121 8.310 -4.225 1.00 0.33 H new ATOM 0 HG2 GLU A 81 2.280 9.355 -6.088 1.00 0.48 H new ATOM 0 HG3 GLU A 81 2.265 7.854 -6.993 1.00 0.48 H new ATOM 1293 N LEU A 82 2.438 5.314 -5.973 1.00 0.16 N ATOM 1294 CA LEU A 82 2.563 4.000 -6.615 1.00 0.18 C ATOM 1295 C LEU A 82 4.001 3.631 -7.002 1.00 0.16 C ATOM 1296 O LEU A 82 4.490 2.565 -6.623 1.00 0.20 O ATOM 1297 CB LEU A 82 1.599 3.878 -7.825 1.00 0.24 C ATOM 1298 CG LEU A 82 1.821 4.753 -9.081 1.00 0.28 C ATOM 1299 CD1 LEU A 82 2.262 6.166 -8.740 1.00 1.06 C ATOM 1300 CD2 LEU A 82 2.784 4.083 -10.054 1.00 1.19 C ATOM 0 H LEU A 82 1.610 5.830 -6.272 1.00 0.16 H new ATOM 0 HA LEU A 82 2.270 3.269 -5.861 1.00 0.18 H new ATOM 0 HB2 LEU A 82 1.614 2.837 -8.148 1.00 0.24 H new ATOM 0 HB3 LEU A 82 0.593 4.084 -7.460 1.00 0.24 H new ATOM 0 HG LEU A 82 0.854 4.846 -9.575 1.00 0.28 H new ATOM 0 HD11 LEU A 82 2.403 6.735 -9.659 1.00 1.06 H new ATOM 0 HD12 LEU A 82 1.499 6.648 -8.128 1.00 1.06 H new ATOM 0 HD13 LEU A 82 3.201 6.131 -8.188 1.00 1.06 H new ATOM 0 HD21 LEU A 82 2.921 4.721 -10.927 1.00 1.19 H new ATOM 0 HD22 LEU A 82 3.745 3.926 -9.565 1.00 1.19 H new ATOM 0 HD23 LEU A 82 2.375 3.122 -10.367 1.00 1.19 H new ATOM 1312 N ASP A 83 4.691 4.498 -7.723 1.00 0.20 N ATOM 1313 CA ASP A 83 6.042 4.180 -8.159 1.00 0.24 C ATOM 1314 C ASP A 83 7.041 4.704 -7.149 1.00 0.26 C ATOM 1315 O ASP A 83 7.714 5.711 -7.369 1.00 0.56 O ATOM 1316 CB ASP A 83 6.339 4.745 -9.548 1.00 0.34 C ATOM 1317 CG ASP A 83 7.577 4.121 -10.164 1.00 1.21 C ATOM 1318 OD1 ASP A 83 8.690 4.647 -9.946 1.00 2.00 O ATOM 1319 OD2 ASP A 83 7.441 3.103 -10.875 1.00 1.72 O ATOM 0 H ASP A 83 4.347 5.413 -8.015 1.00 0.20 H new ATOM 0 HA ASP A 83 6.129 3.096 -8.226 1.00 0.24 H new ATOM 0 HB2 ASP A 83 5.483 4.572 -10.200 1.00 0.34 H new ATOM 0 HB3 ASP A 83 6.474 5.824 -9.479 1.00 0.34 H new ATOM 1324 N TYR A 84 7.097 4.041 -6.014 1.00 0.21 N ATOM 1325 CA TYR A 84 7.990 4.442 -4.954 1.00 0.19 C ATOM 1326 C TYR A 84 9.135 3.465 -4.820 1.00 0.21 C ATOM 1327 O TYR A 84 8.935 2.258 -4.843 1.00 0.33 O ATOM 1328 CB TYR A 84 7.248 4.532 -3.628 1.00 0.19 C ATOM 1329 CG TYR A 84 7.416 5.864 -2.952 1.00 0.19 C ATOM 1330 CD1 TYR A 84 8.668 6.307 -2.560 1.00 0.24 C ATOM 1331 CD2 TYR A 84 6.320 6.673 -2.698 1.00 0.19 C ATOM 1332 CE1 TYR A 84 8.826 7.521 -1.933 1.00 0.28 C ATOM 1333 CE2 TYR A 84 6.465 7.888 -2.071 1.00 0.21 C ATOM 1334 CZ TYR A 84 7.739 8.326 -1.723 1.00 0.25 C ATOM 1335 OH TYR A 84 7.850 9.529 -1.070 1.00 0.30 O ATOM 0 H TYR A 84 6.531 3.219 -5.803 1.00 0.21 H new ATOM 0 HA TYR A 84 8.386 5.425 -5.210 1.00 0.19 H new ATOM 0 HB2 TYR A 84 6.187 4.348 -3.798 1.00 0.19 H new ATOM 0 HB3 TYR A 84 7.606 3.745 -2.963 1.00 0.19 H new ATOM 0 HD1 TYR A 84 9.534 5.690 -2.749 1.00 0.24 H new ATOM 0 HD2 TYR A 84 5.336 6.344 -2.997 1.00 0.19 H new ATOM 0 HE1 TYR A 84 9.806 7.838 -1.607 1.00 0.28 H new ATOM 0 HE2 TYR A 84 5.600 8.496 -1.851 1.00 0.21 H new ATOM 0 HH TYR A 84 8.344 9.403 -0.233 1.00 0.30 H new ATOM 1345 N GLN A 85 10.321 3.996 -4.630 1.00 0.27 N ATOM 1346 CA GLN A 85 11.513 3.180 -4.484 1.00 0.28 C ATOM 1347 C GLN A 85 11.665 2.768 -3.027 1.00 0.24 C ATOM 1348 O GLN A 85 12.713 2.278 -2.604 1.00 0.28 O ATOM 1349 CB GLN A 85 12.751 3.958 -4.966 1.00 0.40 C ATOM 1350 CG GLN A 85 13.241 5.041 -4.006 1.00 0.70 C ATOM 1351 CD GLN A 85 12.243 6.166 -3.761 1.00 0.77 C ATOM 1352 OE1 GLN A 85 12.187 6.720 -2.665 1.00 1.74 O ATOM 1353 NE2 GLN A 85 11.474 6.538 -4.774 1.00 0.74 N ATOM 0 H GLN A 85 10.490 5.000 -4.572 1.00 0.27 H new ATOM 0 HA GLN A 85 11.420 2.283 -5.096 1.00 0.28 H new ATOM 0 HB2 GLN A 85 13.562 3.251 -5.139 1.00 0.40 H new ATOM 0 HB3 GLN A 85 12.521 4.420 -5.926 1.00 0.40 H new ATOM 0 HG2 GLN A 85 13.489 4.577 -3.051 1.00 0.70 H new ATOM 0 HG3 GLN A 85 14.162 5.469 -4.401 1.00 0.70 H new ATOM 0 HE21 GLN A 85 11.545 6.058 -5.671 1.00 0.74 H new ATOM 0 HE22 GLN A 85 10.811 7.305 -4.657 1.00 0.74 H new ATOM 1362 N LEU A 86 10.563 2.934 -2.295 1.00 0.22 N ATOM 1363 CA LEU A 86 10.491 2.697 -0.849 1.00 0.24 C ATOM 1364 C LEU A 86 11.461 3.564 -0.051 1.00 0.30 C ATOM 1365 O LEU A 86 12.524 3.966 -0.529 1.00 0.34 O ATOM 1366 CB LEU A 86 10.724 1.215 -0.518 1.00 0.25 C ATOM 1367 CG LEU A 86 9.634 0.267 -1.001 1.00 0.29 C ATOM 1368 CD1 LEU A 86 8.263 0.803 -0.620 1.00 0.75 C ATOM 1369 CD2 LEU A 86 9.754 0.044 -2.498 1.00 0.86 C ATOM 0 H LEU A 86 9.677 3.243 -2.696 1.00 0.22 H new ATOM 0 HA LEU A 86 9.482 2.981 -0.551 1.00 0.24 H new ATOM 0 HB2 LEU A 86 11.673 0.906 -0.955 1.00 0.25 H new ATOM 0 HB3 LEU A 86 10.822 1.111 0.563 1.00 0.25 H new ATOM 0 HG LEU A 86 9.759 -0.699 -0.513 1.00 0.29 H new ATOM 0 HD11 LEU A 86 7.493 0.116 -0.971 1.00 0.75 H new ATOM 0 HD12 LEU A 86 8.198 0.898 0.464 1.00 0.75 H new ATOM 0 HD13 LEU A 86 8.114 1.780 -1.079 1.00 0.75 H new ATOM 0 HD21 LEU A 86 8.969 -0.636 -2.829 1.00 0.86 H new ATOM 0 HD22 LEU A 86 9.652 0.997 -3.017 1.00 0.86 H new ATOM 0 HD23 LEU A 86 10.728 -0.390 -2.724 1.00 0.86 H new ATOM 1381 N GLN A 87 11.075 3.865 1.173 1.00 0.39 N ATOM 1382 CA GLN A 87 11.970 4.506 2.110 1.00 0.51 C ATOM 1383 C GLN A 87 11.895 3.783 3.440 1.00 0.76 C ATOM 1384 O GLN A 87 10.894 3.143 3.756 1.00 1.74 O ATOM 1385 CB GLN A 87 11.680 6.004 2.257 1.00 0.46 C ATOM 1386 CG GLN A 87 10.248 6.363 2.623 1.00 0.86 C ATOM 1387 CD GLN A 87 9.399 6.786 1.429 1.00 0.65 C ATOM 1388 OE1 GLN A 87 9.376 7.959 1.061 1.00 1.18 O ATOM 1389 NE2 GLN A 87 8.660 5.847 0.853 1.00 0.48 N ATOM 0 H GLN A 87 10.143 3.674 1.541 1.00 0.39 H new ATOM 0 HA GLN A 87 12.987 4.439 1.724 1.00 0.51 H new ATOM 0 HB2 GLN A 87 12.344 6.411 3.019 1.00 0.46 H new ATOM 0 HB3 GLN A 87 11.931 6.498 1.319 1.00 0.46 H new ATOM 0 HG2 GLN A 87 9.779 5.505 3.105 1.00 0.86 H new ATOM 0 HG3 GLN A 87 10.261 7.172 3.354 1.00 0.86 H new ATOM 0 HE21 GLN A 87 8.707 4.884 1.187 1.00 0.48 H new ATOM 0 HE22 GLN A 87 8.045 6.087 0.076 1.00 0.48 H new ATOM 1398 N ASP A 88 12.961 3.859 4.206 1.00 0.43 N ATOM 1399 CA ASP A 88 13.087 3.026 5.391 1.00 0.40 C ATOM 1400 C ASP A 88 12.109 3.460 6.469 1.00 0.32 C ATOM 1401 O ASP A 88 11.882 4.655 6.673 1.00 0.36 O ATOM 1402 CB ASP A 88 14.519 3.046 5.933 1.00 0.56 C ATOM 1403 CG ASP A 88 14.693 2.151 7.146 1.00 1.40 C ATOM 1404 OD1 ASP A 88 14.155 1.021 7.146 1.00 2.44 O ATOM 1405 OD2 ASP A 88 15.364 2.576 8.109 1.00 1.53 O ATOM 0 H ASP A 88 13.750 4.483 4.035 1.00 0.43 H new ATOM 0 HA ASP A 88 12.847 2.004 5.099 1.00 0.40 H new ATOM 0 HB2 ASP A 88 15.206 2.727 5.149 1.00 0.56 H new ATOM 0 HB3 ASP A 88 14.790 4.068 6.198 1.00 0.56 H new ATOM 1410 N GLN A 89 11.519 2.469 7.129 1.00 0.31 N ATOM 1411 CA GLN A 89 10.554 2.687 8.207 1.00 0.34 C ATOM 1412 C GLN A 89 9.264 3.294 7.662 1.00 0.34 C ATOM 1413 O GLN A 89 8.534 3.983 8.379 1.00 0.42 O ATOM 1414 CB GLN A 89 11.143 3.580 9.309 1.00 0.40 C ATOM 1415 CG GLN A 89 12.382 3.004 9.981 1.00 0.62 C ATOM 1416 CD GLN A 89 12.197 1.564 10.416 1.00 0.77 C ATOM 1417 OE1 GLN A 89 11.696 1.293 11.504 1.00 1.56 O ATOM 1418 NE2 GLN A 89 12.627 0.630 9.583 1.00 0.71 N ATOM 0 H GLN A 89 11.696 1.484 6.931 1.00 0.31 H new ATOM 0 HA GLN A 89 10.323 1.717 8.647 1.00 0.34 H new ATOM 0 HB2 GLN A 89 11.394 4.550 8.880 1.00 0.40 H new ATOM 0 HB3 GLN A 89 10.380 3.754 10.067 1.00 0.40 H new ATOM 0 HG2 GLN A 89 13.225 3.066 9.293 1.00 0.62 H new ATOM 0 HG3 GLN A 89 12.635 3.612 10.850 1.00 0.62 H new ATOM 0 HE21 GLN A 89 13.038 0.895 8.688 1.00 0.71 H new ATOM 0 HE22 GLN A 89 12.548 -0.355 9.836 1.00 0.71 H new ATOM 1427 N ASP A 90 8.988 3.019 6.395 1.00 0.30 N ATOM 1428 CA ASP A 90 7.757 3.464 5.752 1.00 0.34 C ATOM 1429 C ASP A 90 6.540 2.903 6.452 1.00 0.32 C ATOM 1430 O ASP A 90 6.444 1.695 6.652 1.00 0.45 O ATOM 1431 CB ASP A 90 7.702 2.984 4.306 1.00 0.45 C ATOM 1432 CG ASP A 90 7.938 4.067 3.301 1.00 0.75 C ATOM 1433 OD1 ASP A 90 7.570 5.228 3.573 1.00 1.17 O ATOM 1434 OD2 ASP A 90 8.495 3.750 2.227 1.00 1.06 O ATOM 0 H ASP A 90 9.607 2.484 5.785 1.00 0.30 H new ATOM 0 HA ASP A 90 7.754 4.553 5.801 1.00 0.34 H new ATOM 0 HB2 ASP A 90 8.447 2.201 4.164 1.00 0.45 H new ATOM 0 HB3 ASP A 90 6.727 2.534 4.119 1.00 0.45 H new ATOM 1439 N SER A 91 5.618 3.759 6.836 1.00 0.23 N ATOM 1440 CA SER A 91 4.319 3.305 7.195 1.00 0.21 C ATOM 1441 C SER A 91 3.361 3.602 6.059 1.00 0.17 C ATOM 1442 O SER A 91 2.857 4.713 5.931 1.00 0.17 O ATOM 1443 CB SER A 91 3.887 4.000 8.459 1.00 0.25 C ATOM 1444 OG SER A 91 4.629 3.545 9.578 1.00 1.14 O ATOM 0 H SER A 91 5.756 4.767 6.903 1.00 0.23 H new ATOM 0 HA SER A 91 4.325 2.230 7.374 1.00 0.21 H new ATOM 0 HB2 SER A 91 4.017 5.076 8.347 1.00 0.25 H new ATOM 0 HB3 SER A 91 2.825 3.823 8.628 1.00 0.25 H new ATOM 0 HG SER A 91 4.328 4.015 10.383 1.00 1.14 H new ATOM 1450 N ILE A 92 3.146 2.611 5.224 1.00 0.17 N ATOM 1451 CA ILE A 92 2.265 2.760 4.084 1.00 0.15 C ATOM 1452 C ILE A 92 0.867 2.344 4.500 1.00 0.14 C ATOM 1453 O ILE A 92 0.591 1.160 4.686 1.00 0.17 O ATOM 1454 CB ILE A 92 2.732 1.908 2.881 1.00 0.17 C ATOM 1455 CG1 ILE A 92 4.252 2.036 2.668 1.00 0.19 C ATOM 1456 CG2 ILE A 92 1.983 2.310 1.619 1.00 0.19 C ATOM 1457 CD1 ILE A 92 4.754 3.462 2.522 1.00 0.21 C ATOM 0 H ILE A 92 3.571 1.688 5.312 1.00 0.17 H new ATOM 0 HA ILE A 92 2.278 3.802 3.766 1.00 0.15 H new ATOM 0 HB ILE A 92 2.508 0.864 3.101 1.00 0.17 H new ATOM 0 HG12 ILE A 92 4.764 1.569 3.510 1.00 0.19 H new ATOM 0 HG13 ILE A 92 4.529 1.475 1.776 1.00 0.19 H new ATOM 0 HG21 ILE A 92 2.325 1.700 0.783 1.00 0.19 H new ATOM 0 HG22 ILE A 92 0.914 2.157 1.766 1.00 0.19 H new ATOM 0 HG23 ILE A 92 2.173 3.361 1.402 1.00 0.19 H new ATOM 0 HD11 ILE A 92 5.834 3.454 2.376 1.00 0.21 H new ATOM 0 HD12 ILE A 92 4.275 3.930 1.662 1.00 0.21 H new ATOM 0 HD13 ILE A 92 4.514 4.026 3.423 1.00 0.21 H new ATOM 1469 N LEU A 93 -0.004 3.320 4.654 1.00 0.13 N ATOM 1470 CA LEU A 93 -1.311 3.082 5.238 1.00 0.14 C ATOM 1471 C LEU A 93 -2.416 3.431 4.252 1.00 0.14 C ATOM 1472 O LEU A 93 -2.447 4.534 3.710 1.00 0.19 O ATOM 1473 CB LEU A 93 -1.459 3.918 6.511 1.00 0.18 C ATOM 1474 CG LEU A 93 -2.166 3.215 7.670 1.00 0.32 C ATOM 1475 CD1 LEU A 93 -2.469 4.195 8.791 1.00 0.63 C ATOM 1476 CD2 LEU A 93 -3.435 2.540 7.186 1.00 0.56 C ATOM 0 H LEU A 93 0.169 4.288 4.383 1.00 0.13 H new ATOM 0 HA LEU A 93 -1.398 2.024 5.484 1.00 0.14 H new ATOM 0 HB2 LEU A 93 -0.467 4.225 6.843 1.00 0.18 H new ATOM 0 HB3 LEU A 93 -2.009 4.827 6.268 1.00 0.18 H new ATOM 0 HG LEU A 93 -1.499 2.448 8.065 1.00 0.32 H new ATOM 0 HD11 LEU A 93 -2.972 3.673 9.605 1.00 0.63 H new ATOM 0 HD12 LEU A 93 -1.538 4.627 9.158 1.00 0.63 H new ATOM 0 HD13 LEU A 93 -3.115 4.989 8.416 1.00 0.63 H new ATOM 0 HD21 LEU A 93 -3.926 2.044 8.024 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -4.106 3.287 6.763 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -3.186 1.802 6.423 1.00 0.56 H new ATOM 1488 N PHE A 94 -3.316 2.484 4.027 1.00 0.13 N ATOM 1489 CA PHE A 94 -4.467 2.708 3.162 1.00 0.14 C ATOM 1490 C PHE A 94 -5.683 3.100 4.001 1.00 0.13 C ATOM 1491 O PHE A 94 -6.195 2.294 4.777 1.00 0.15 O ATOM 1492 CB PHE A 94 -4.783 1.434 2.364 1.00 0.18 C ATOM 1493 CG PHE A 94 -3.665 0.966 1.466 1.00 0.21 C ATOM 1494 CD1 PHE A 94 -2.482 0.475 1.998 1.00 0.27 C ATOM 1495 CD2 PHE A 94 -3.802 1.018 0.091 1.00 0.26 C ATOM 1496 CE1 PHE A 94 -1.457 0.051 1.175 1.00 0.32 C ATOM 1497 CE2 PHE A 94 -2.780 0.594 -0.738 1.00 0.31 C ATOM 1498 CZ PHE A 94 -1.606 0.109 -0.195 1.00 0.33 C ATOM 0 H PHE A 94 -3.271 1.549 4.433 1.00 0.13 H new ATOM 0 HA PHE A 94 -4.232 3.516 2.469 1.00 0.14 H new ATOM 0 HB2 PHE A 94 -5.030 0.635 3.063 1.00 0.18 H new ATOM 0 HB3 PHE A 94 -5.670 1.612 1.756 1.00 0.18 H new ATOM 0 HD1 PHE A 94 -2.361 0.424 3.070 1.00 0.27 H new ATOM 0 HD2 PHE A 94 -4.718 1.394 -0.340 1.00 0.26 H new ATOM 0 HE1 PHE A 94 -0.540 -0.325 1.604 1.00 0.32 H new ATOM 0 HE2 PHE A 94 -2.900 0.642 -1.810 1.00 0.31 H new ATOM 0 HZ PHE A 94 -0.807 -0.224 -0.841 1.00 0.33 H new ATOM 1508 N ILE A 95 -6.160 4.324 3.835 1.00 0.13 N ATOM 1509 CA ILE A 95 -7.301 4.808 4.603 1.00 0.17 C ATOM 1510 C ILE A 95 -8.451 5.152 3.678 1.00 0.18 C ATOM 1511 O ILE A 95 -8.385 6.123 2.928 1.00 0.20 O ATOM 1512 CB ILE A 95 -6.973 6.062 5.454 1.00 0.26 C ATOM 1513 CG1 ILE A 95 -5.866 5.779 6.471 1.00 0.27 C ATOM 1514 CG2 ILE A 95 -8.219 6.558 6.174 1.00 0.35 C ATOM 1515 CD1 ILE A 95 -4.480 5.816 5.881 1.00 1.16 C ATOM 0 H ILE A 95 -5.776 5.001 3.176 1.00 0.13 H new ATOM 0 HA ILE A 95 -7.572 3.998 5.280 1.00 0.17 H new ATOM 0 HB ILE A 95 -6.618 6.835 4.772 1.00 0.26 H new ATOM 0 HG12 ILE A 95 -5.928 6.511 7.276 1.00 0.27 H new ATOM 0 HG13 ILE A 95 -6.036 4.799 6.917 1.00 0.27 H new ATOM 0 HG21 ILE A 95 -7.971 7.439 6.767 1.00 0.35 H new ATOM 0 HG22 ILE A 95 -8.983 6.817 5.442 1.00 0.35 H new ATOM 0 HG23 ILE A 95 -8.596 5.774 6.830 1.00 0.35 H new ATOM 0 HD11 ILE A 95 -3.747 5.606 6.660 1.00 1.16 H new ATOM 0 HD12 ILE A 95 -4.399 5.065 5.095 1.00 1.16 H new ATOM 0 HD13 ILE A 95 -4.290 6.803 5.460 1.00 1.16 H new ATOM 1527 N SER A 96 -9.499 4.351 3.716 1.00 0.20 N ATOM 1528 CA SER A 96 -10.688 4.655 2.952 1.00 0.24 C ATOM 1529 C SER A 96 -11.433 5.808 3.600 1.00 0.28 C ATOM 1530 O SER A 96 -11.891 5.708 4.740 1.00 0.35 O ATOM 1531 CB SER A 96 -11.590 3.426 2.836 1.00 0.31 C ATOM 1532 OG SER A 96 -12.766 3.708 2.096 1.00 0.37 O ATOM 0 H SER A 96 -9.549 3.492 4.264 1.00 0.20 H new ATOM 0 HA SER A 96 -10.392 4.947 1.944 1.00 0.24 H new ATOM 0 HB2 SER A 96 -11.042 2.616 2.354 1.00 0.31 H new ATOM 0 HB3 SER A 96 -11.862 3.078 3.833 1.00 0.31 H new ATOM 0 HG SER A 96 -13.319 2.901 2.040 1.00 0.37 H new ATOM 1538 N THR A 97 -11.533 6.908 2.877 1.00 0.27 N ATOM 1539 CA THR A 97 -12.199 8.086 3.386 1.00 0.36 C ATOM 1540 C THR A 97 -13.628 8.135 2.847 1.00 0.48 C ATOM 1541 O THR A 97 -14.338 9.134 2.987 1.00 0.58 O ATOM 1542 CB THR A 97 -11.419 9.369 3.009 1.00 0.34 C ATOM 1543 OG1 THR A 97 -11.876 10.485 3.780 1.00 0.43 O ATOM 1544 CG2 THR A 97 -11.553 9.688 1.524 1.00 0.35 C ATOM 0 H THR A 97 -11.159 7.007 1.933 1.00 0.27 H new ATOM 0 HA THR A 97 -12.233 8.033 4.474 1.00 0.36 H new ATOM 0 HB THR A 97 -10.368 9.184 3.230 1.00 0.34 H new ATOM 0 HG1 THR A 97 -12.849 10.433 3.886 1.00 0.43 H new ATOM 0 HG21 THR A 97 -10.993 10.595 1.295 1.00 0.35 H new ATOM 0 HG22 THR A 97 -11.158 8.859 0.937 1.00 0.35 H new ATOM 0 HG23 THR A 97 -12.604 9.839 1.278 1.00 0.35 H new