USER MOD reduce.3.24.130724 H: found=0, std=0, add=1370, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1371 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 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 188 HIS : no HE2:sc= -0.568 X(o=-0.57,f=-0.58) USER MOD Set 2.1: A 116 CYS SG : rot -70:sc= -2.14! USER MOD Set 2.2: A 124 HIS : no HD1:sc= -1.09 K(o=-3.2,f=-2.4) USER MOD Set 3.1: A 109 THR OG1 : rot 180:sc= -0.275 USER MOD Set 3.2: A 176 HIS : no HD1:sc= -3.6! C(o=-3.9!,f=-10!) USER MOD Set 4.1: A 106 LYS NZ :NH3+ 146:sc= 0.858 (180deg=0.686) USER MOD Set 4.2: A 111 MET CE :methyl -125:sc= -4.3! (180deg=-4.62!) USER MOD Set 5.1: A 23 THR OG1 : rot -140:sc= -0.744 USER MOD Set 5.2: A 31 MET CE :methyl 152:sc= -4.33! (180deg=-4.99!) USER MOD Set 6.1: A 5 SER OG : rot 100:sc= 1.27 USER MOD Set 6.2: A 75 ASN : amide:sc= 1.55 K(o=2.8,f=-3.4) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -159:sc= -0.505 (180deg=-1.07) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 24 MET CE :methyl -175:sc= -0.408 (180deg=-0.467) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot -2:sc= -1.41! USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -144:sc= 0.0115 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -178:sc= -3.45! (180deg=-3.63!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 160:sc= -0.115 (180deg=-0.678) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 142:sc= -2.33 (180deg=-5.85!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 147:sc= 1.23 (180deg=0.914) USER MOD Single : A 84 LYS NZ :NH3+ 158:sc= -0.0856 (180deg=-0.439) USER MOD Single : A 85 GLN : amide:sc=-0.00841 K(o=-0.0084,f=-2.7!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0.294 (180deg=0.294) USER MOD Single : A 92 MET CE :methyl 174:sc= -3.22 (180deg=-3.37) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -111:sc= -1.63! (180deg=-4.03!) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0559 USER MOD Single : A 101 MET CE :methyl -172:sc= -7.38! (180deg=-7.51!) USER MOD Single : A 105 SER OG : rot -65:sc= 0.931 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0279 USER MOD Single : A 113 MET CE :methyl -145:sc= -0.134 (180deg=-0.387) USER MOD Single : A 114 THR OG1 : rot 75:sc= 0.704 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.0635 K(o=-0.063,f=-1.3) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot -90:sc= -2.3! USER MOD Single : A 137 LYS NZ :NH3+ -174:sc= 1.2 (180deg=1.05) USER MOD Single : A 138 LYS NZ :NH3+ -139:sc= 1.62 (180deg=0.691) USER MOD Single : A 172 ASN : amide:sc= -0.0431 K(o=-0.043,f=-3.2!) USER MOD Single : A 179 THR OG1 : rot 180:sc= -0.0565 USER MOD Single : A 183 GLN : amide:sc= -5.54! C(o=-5.5!,f=-5.3!) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ -161:sc= -0.0548 (180deg=-0.426) USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 2 -29.199 0.672 6.866 1.00 1.00 N ATOM 107 CA VAL A 2 -28.016 0.071 7.446 1.00 0.98 C ATOM 108 C VAL A 2 -27.116 -0.413 6.327 1.00 0.79 C ATOM 109 O VAL A 2 -26.605 -1.529 6.327 1.00 0.92 O ATOM 110 CB VAL A 2 -28.361 -1.085 8.410 1.00 1.21 C ATOM 111 CG1 VAL A 2 -29.167 -0.564 9.590 1.00 1.56 C ATOM 112 CG2 VAL A 2 -29.115 -2.190 7.686 1.00 1.32 C ATOM 0 HA VAL A 2 -27.500 0.825 8.040 1.00 0.98 H new ATOM 0 HB VAL A 2 -27.430 -1.508 8.787 1.00 1.21 H new ATOM 0 HG11 VAL A 2 -29.404 -1.389 10.262 1.00 1.56 H new ATOM 0 HG12 VAL A 2 -28.584 0.185 10.126 1.00 1.56 H new ATOM 0 HG13 VAL A 2 -30.092 -0.114 9.229 1.00 1.56 H new ATOM 0 HG21 VAL A 2 -29.346 -2.992 8.387 1.00 1.32 H new ATOM 0 HG22 VAL A 2 -30.041 -1.789 7.275 1.00 1.32 H new ATOM 0 HG23 VAL A 2 -28.498 -2.582 6.877 1.00 1.32 H new ATOM 122 N ALA A 3 -26.944 0.463 5.369 1.00 0.66 N ATOM 123 CA ALA A 3 -26.096 0.218 4.234 1.00 0.55 C ATOM 124 C ALA A 3 -25.350 1.490 3.929 1.00 0.60 C ATOM 125 O ALA A 3 -25.894 2.589 4.066 1.00 1.10 O ATOM 126 CB ALA A 3 -26.909 -0.235 3.030 1.00 0.63 C ATOM 0 H ALA A 3 -27.396 1.377 5.357 1.00 0.66 H new ATOM 0 HA ALA A 3 -25.394 -0.584 4.462 1.00 0.55 H new ATOM 0 HB1 ALA A 3 -26.242 -0.413 2.187 1.00 0.63 H new ATOM 0 HB2 ALA A 3 -27.439 -1.156 3.274 1.00 0.63 H new ATOM 0 HB3 ALA A 3 -27.630 0.539 2.766 1.00 0.63 H new ATOM 132 N LEU A 4 -24.113 1.346 3.539 1.00 0.45 N ATOM 133 CA LEU A 4 -23.272 2.491 3.289 1.00 0.41 C ATOM 134 C LEU A 4 -22.946 2.576 1.811 1.00 0.39 C ATOM 135 O LEU A 4 -22.546 1.591 1.200 1.00 0.38 O ATOM 136 CB LEU A 4 -21.997 2.405 4.123 1.00 0.41 C ATOM 137 CG LEU A 4 -22.209 2.436 5.640 1.00 0.56 C ATOM 138 CD1 LEU A 4 -20.874 2.451 6.364 1.00 1.16 C ATOM 139 CD2 LEU A 4 -23.051 3.636 6.045 1.00 1.46 C ATOM 0 H LEU A 4 -23.661 0.444 3.386 1.00 0.45 H new ATOM 0 HA LEU A 4 -23.805 3.396 3.580 1.00 0.41 H new ATOM 0 HB2 LEU A 4 -21.473 1.485 3.864 1.00 0.41 H new ATOM 0 HB3 LEU A 4 -21.344 3.232 3.846 1.00 0.41 H new ATOM 0 HG LEU A 4 -22.747 1.533 5.927 1.00 0.56 H new ATOM 0 HD11 LEU A 4 -21.044 2.473 7.440 1.00 1.16 H new ATOM 0 HD12 LEU A 4 -20.309 1.556 6.104 1.00 1.16 H new ATOM 0 HD13 LEU A 4 -20.309 3.335 6.068 1.00 1.16 H new ATOM 0 HD21 LEU A 4 -23.188 3.636 7.126 1.00 1.46 H new ATOM 0 HD22 LEU A 4 -22.546 4.553 5.743 1.00 1.46 H new ATOM 0 HD23 LEU A 4 -24.024 3.580 5.556 1.00 1.46 H new ATOM 151 N SER A 5 -23.104 3.760 1.255 1.00 0.41 N ATOM 152 CA SER A 5 -22.880 3.969 -0.161 1.00 0.42 C ATOM 153 C SER A 5 -21.502 4.573 -0.354 1.00 0.37 C ATOM 154 O SER A 5 -21.299 5.774 -0.145 1.00 0.42 O ATOM 155 CB SER A 5 -23.965 4.869 -0.754 1.00 0.51 C ATOM 156 OG SER A 5 -25.255 4.309 -0.561 1.00 1.28 O ATOM 0 H SER A 5 -23.388 4.596 1.765 1.00 0.41 H new ATOM 0 HA SER A 5 -22.930 3.014 -0.685 1.00 0.42 H new ATOM 0 HB2 SER A 5 -23.919 5.854 -0.289 1.00 0.51 H new ATOM 0 HB3 SER A 5 -23.782 5.011 -1.819 1.00 0.51 H new ATOM 0 HG SER A 5 -25.691 4.746 0.200 1.00 1.28 H new ATOM 162 N LEU A 6 -20.547 3.731 -0.709 1.00 0.31 N ATOM 163 CA LEU A 6 -19.159 4.141 -0.752 1.00 0.28 C ATOM 164 C LEU A 6 -18.686 4.305 -2.186 1.00 0.28 C ATOM 165 O LEU A 6 -18.985 3.479 -3.053 1.00 0.31 O ATOM 166 CB LEU A 6 -18.285 3.117 -0.019 1.00 0.26 C ATOM 167 CG LEU A 6 -18.776 2.725 1.380 1.00 0.33 C ATOM 168 CD1 LEU A 6 -17.805 1.759 2.042 1.00 0.61 C ATOM 169 CD2 LEU A 6 -18.978 3.961 2.247 1.00 0.62 C ATOM 0 H LEU A 6 -20.710 2.759 -0.971 1.00 0.31 H new ATOM 0 HA LEU A 6 -19.071 5.106 -0.253 1.00 0.28 H new ATOM 0 HB2 LEU A 6 -18.218 2.216 -0.629 1.00 0.26 H new ATOM 0 HB3 LEU A 6 -17.276 3.519 0.067 1.00 0.26 H new ATOM 0 HG LEU A 6 -19.737 2.222 1.273 1.00 0.33 H new ATOM 0 HD11 LEU A 6 -18.174 1.495 3.033 1.00 0.61 H new ATOM 0 HD12 LEU A 6 -17.718 0.858 1.435 1.00 0.61 H new ATOM 0 HD13 LEU A 6 -16.827 2.231 2.133 1.00 0.61 H new ATOM 0 HD21 LEU A 6 -19.326 3.660 3.235 1.00 0.62 H new ATOM 0 HD22 LEU A 6 -18.033 4.496 2.343 1.00 0.62 H new ATOM 0 HD23 LEU A 6 -19.719 4.613 1.784 1.00 0.62 H new ATOM 181 N LYS A 7 -17.963 5.385 -2.432 1.00 0.29 N ATOM 182 CA LYS A 7 -17.367 5.619 -3.733 1.00 0.31 C ATOM 183 C LYS A 7 -16.093 4.814 -3.874 1.00 0.29 C ATOM 184 O LYS A 7 -15.055 5.177 -3.329 1.00 0.31 O ATOM 185 CB LYS A 7 -17.058 7.098 -3.940 1.00 0.39 C ATOM 186 CG LYS A 7 -18.211 7.894 -4.507 1.00 0.52 C ATOM 187 CD LYS A 7 -17.786 9.318 -4.794 1.00 0.63 C ATOM 188 CE LYS A 7 -18.778 10.019 -5.698 1.00 0.94 C ATOM 189 NZ LYS A 7 -18.373 11.425 -5.965 1.00 1.72 N ATOM 0 H LYS A 7 -17.775 6.114 -1.744 1.00 0.29 H new ATOM 0 HA LYS A 7 -18.085 5.305 -4.491 1.00 0.31 H new ATOM 0 HB2 LYS A 7 -16.764 7.534 -2.985 1.00 0.39 H new ATOM 0 HB3 LYS A 7 -16.203 7.190 -4.610 1.00 0.39 H new ATOM 0 HG2 LYS A 7 -18.569 7.424 -5.423 1.00 0.52 H new ATOM 0 HG3 LYS A 7 -19.043 7.892 -3.802 1.00 0.52 H new ATOM 0 HD2 LYS A 7 -17.694 9.868 -3.857 1.00 0.63 H new ATOM 0 HD3 LYS A 7 -16.802 9.318 -5.262 1.00 0.63 H new ATOM 0 HE2 LYS A 7 -18.859 9.477 -6.640 1.00 0.94 H new ATOM 0 HE3 LYS A 7 -19.765 10.005 -5.237 1.00 0.94 H new ATOM 0 HZ1 LYS A 7 -19.074 11.876 -6.587 1.00 1.72 H new ATOM 0 HZ2 LYS A 7 -18.320 11.947 -5.067 1.00 1.72 H new ATOM 0 HZ3 LYS A 7 -17.442 11.436 -6.428 1.00 1.72 H new ATOM 203 N ILE A 8 -16.173 3.723 -4.599 1.00 0.28 N ATOM 204 CA ILE A 8 -15.031 2.862 -4.794 1.00 0.28 C ATOM 205 C ILE A 8 -14.192 3.368 -5.955 1.00 0.31 C ATOM 206 O ILE A 8 -14.483 3.082 -7.114 1.00 0.34 O ATOM 207 CB ILE A 8 -15.456 1.409 -5.074 1.00 0.33 C ATOM 208 CG1 ILE A 8 -16.351 0.876 -3.948 1.00 0.58 C ATOM 209 CG2 ILE A 8 -14.231 0.530 -5.248 1.00 0.32 C ATOM 210 CD1 ILE A 8 -15.692 0.884 -2.584 1.00 0.51 C ATOM 0 H ILE A 8 -17.024 3.409 -5.066 1.00 0.28 H new ATOM 0 HA ILE A 8 -14.447 2.878 -3.874 1.00 0.28 H new ATOM 0 HB ILE A 8 -16.033 1.389 -5.999 1.00 0.33 H new ATOM 0 HG12 ILE A 8 -17.260 1.476 -3.905 1.00 0.58 H new ATOM 0 HG13 ILE A 8 -16.653 -0.143 -4.189 1.00 0.58 H new ATOM 0 HG21 ILE A 8 -14.544 -0.495 -5.446 1.00 0.32 H new ATOM 0 HG22 ILE A 8 -13.637 0.896 -6.085 1.00 0.32 H new ATOM 0 HG23 ILE A 8 -13.631 0.557 -4.338 1.00 0.32 H new ATOM 0 HD11 ILE A 8 -16.388 0.493 -1.842 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -14.798 0.260 -2.608 1.00 0.51 H new ATOM 0 HD13 ILE A 8 -15.415 1.905 -2.320 1.00 0.51 H new ATOM 222 N SER A 9 -13.169 4.136 -5.650 1.00 0.33 N ATOM 223 CA SER A 9 -12.298 4.648 -6.685 1.00 0.39 C ATOM 224 C SER A 9 -11.174 3.651 -6.928 1.00 0.37 C ATOM 225 O SER A 9 -10.203 3.592 -6.181 1.00 0.45 O ATOM 226 CB SER A 9 -11.752 6.031 -6.312 1.00 0.46 C ATOM 227 OG SER A 9 -11.055 6.623 -7.397 1.00 1.48 O ATOM 0 H SER A 9 -12.921 4.418 -4.702 1.00 0.33 H new ATOM 0 HA SER A 9 -12.866 4.771 -7.607 1.00 0.39 H new ATOM 0 HB2 SER A 9 -12.575 6.679 -6.009 1.00 0.46 H new ATOM 0 HB3 SER A 9 -11.085 5.941 -5.455 1.00 0.46 H new ATOM 0 HG SER A 9 -10.720 7.504 -7.129 1.00 1.48 H new ATOM 233 N ILE A 10 -11.345 2.833 -7.948 1.00 0.40 N ATOM 234 CA ILE A 10 -10.366 1.815 -8.279 1.00 0.42 C ATOM 235 C ILE A 10 -9.270 2.414 -9.150 1.00 0.50 C ATOM 236 O ILE A 10 -9.331 2.358 -10.382 1.00 0.53 O ATOM 237 CB ILE A 10 -11.025 0.617 -8.996 1.00 0.40 C ATOM 238 CG1 ILE A 10 -12.240 0.141 -8.194 1.00 0.38 C ATOM 239 CG2 ILE A 10 -10.022 -0.516 -9.172 1.00 0.45 C ATOM 240 CD1 ILE A 10 -13.078 -0.900 -8.903 1.00 0.43 C ATOM 0 H ILE A 10 -12.157 2.854 -8.565 1.00 0.40 H new ATOM 0 HA ILE A 10 -9.927 1.448 -7.351 1.00 0.42 H new ATOM 0 HB ILE A 10 -11.356 0.933 -9.985 1.00 0.40 H new ATOM 0 HG12 ILE A 10 -11.897 -0.269 -7.244 1.00 0.38 H new ATOM 0 HG13 ILE A 10 -12.868 1.001 -7.961 1.00 0.38 H new ATOM 0 HG21 ILE A 10 -10.503 -1.352 -9.679 1.00 0.45 H new ATOM 0 HG22 ILE A 10 -9.179 -0.166 -9.768 1.00 0.45 H new ATOM 0 HG23 ILE A 10 -9.665 -0.841 -8.195 1.00 0.45 H new ATOM 0 HD11 ILE A 10 -13.918 -1.184 -8.269 1.00 0.43 H new ATOM 0 HD12 ILE A 10 -13.453 -0.488 -9.840 1.00 0.43 H new ATOM 0 HD13 ILE A 10 -12.467 -1.778 -9.111 1.00 0.43 H new ATOM 252 N GLY A 11 -8.296 3.036 -8.500 1.00 0.59 N ATOM 253 CA GLY A 11 -7.209 3.677 -9.212 1.00 0.68 C ATOM 254 C GLY A 11 -7.606 5.037 -9.752 1.00 0.75 C ATOM 255 O GLY A 11 -7.169 6.069 -9.242 1.00 0.96 O ATOM 0 H GLY A 11 -8.240 3.108 -7.484 1.00 0.59 H new ATOM 0 HA2 GLY A 11 -6.354 3.788 -8.545 1.00 0.68 H new ATOM 0 HA3 GLY A 11 -6.890 3.039 -10.036 1.00 0.68 H new ATOM 259 N ASN A 12 -8.437 5.036 -10.785 1.00 0.75 N ATOM 260 CA ASN A 12 -8.909 6.272 -11.403 1.00 0.90 C ATOM 261 C ASN A 12 -10.419 6.225 -11.565 1.00 0.84 C ATOM 262 O ASN A 12 -11.122 7.204 -11.303 1.00 1.09 O ATOM 263 CB ASN A 12 -8.250 6.484 -12.770 1.00 1.09 C ATOM 264 CG ASN A 12 -6.735 6.498 -12.699 1.00 1.77 C ATOM 265 OD1 ASN A 12 -6.116 7.545 -12.516 1.00 2.62 O ATOM 266 ND2 ASN A 12 -6.128 5.331 -12.843 1.00 2.17 N ATOM 0 H ASN A 12 -8.802 4.187 -11.217 1.00 0.75 H new ATOM 0 HA ASN A 12 -8.638 7.105 -10.754 1.00 0.90 H new ATOM 0 HB2 ASN A 12 -8.570 5.693 -13.448 1.00 1.09 H new ATOM 0 HB3 ASN A 12 -8.598 7.426 -13.193 1.00 1.09 H new ATOM 0 HD21 ASN A 12 -5.110 5.277 -12.804 1.00 2.17 H new ATOM 0 HD22 ASN A 12 -6.678 4.485 -12.993 1.00 2.17 H new ATOM 273 N VAL A 13 -10.909 5.071 -11.999 1.00 0.65 N ATOM 274 CA VAL A 13 -12.339 4.842 -12.161 1.00 0.61 C ATOM 275 C VAL A 13 -13.031 4.866 -10.794 1.00 0.53 C ATOM 276 O VAL A 13 -12.387 4.656 -9.766 1.00 0.50 O ATOM 277 CB VAL A 13 -12.589 3.484 -12.874 1.00 0.61 C ATOM 278 CG1 VAL A 13 -12.062 2.322 -12.042 1.00 0.55 C ATOM 279 CG2 VAL A 13 -14.061 3.282 -13.205 1.00 0.65 C ATOM 0 H VAL A 13 -10.329 4.270 -12.248 1.00 0.65 H new ATOM 0 HA VAL A 13 -12.757 5.637 -12.778 1.00 0.61 H new ATOM 0 HB VAL A 13 -12.039 3.510 -13.815 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -12.251 1.385 -12.565 1.00 0.55 H new ATOM 0 HG12 VAL A 13 -10.990 2.442 -11.888 1.00 0.55 H new ATOM 0 HG13 VAL A 13 -12.568 2.307 -11.077 1.00 0.55 H new ATOM 0 HG21 VAL A 13 -14.194 2.321 -13.703 1.00 0.65 H new ATOM 0 HG22 VAL A 13 -14.646 3.298 -12.286 1.00 0.65 H new ATOM 0 HG23 VAL A 13 -14.399 4.082 -13.864 1.00 0.65 H new ATOM 289 N VAL A 14 -14.329 5.128 -10.772 1.00 0.51 N ATOM 290 CA VAL A 14 -15.070 5.139 -9.520 1.00 0.46 C ATOM 291 C VAL A 14 -16.360 4.339 -9.665 1.00 0.41 C ATOM 292 O VAL A 14 -17.171 4.575 -10.563 1.00 0.45 O ATOM 293 CB VAL A 14 -15.369 6.575 -9.007 1.00 0.53 C ATOM 294 CG1 VAL A 14 -16.239 7.350 -9.979 1.00 0.62 C ATOM 295 CG2 VAL A 14 -16.017 6.534 -7.629 1.00 0.50 C ATOM 0 H VAL A 14 -14.888 5.334 -11.600 1.00 0.51 H new ATOM 0 HA VAL A 14 -14.435 4.669 -8.769 1.00 0.46 H new ATOM 0 HB VAL A 14 -14.415 7.096 -8.929 1.00 0.53 H new ATOM 0 HG11 VAL A 14 -16.425 8.349 -9.584 1.00 0.62 H new ATOM 0 HG12 VAL A 14 -15.730 7.429 -10.940 1.00 0.62 H new ATOM 0 HG13 VAL A 14 -17.188 6.830 -10.113 1.00 0.62 H new ATOM 0 HG21 VAL A 14 -16.217 7.551 -7.291 1.00 0.50 H new ATOM 0 HG22 VAL A 14 -16.953 5.979 -7.684 1.00 0.50 H new ATOM 0 HG23 VAL A 14 -15.345 6.043 -6.925 1.00 0.50 H new ATOM 305 N LYS A 15 -16.513 3.359 -8.800 1.00 0.39 N ATOM 306 CA LYS A 15 -17.684 2.507 -8.794 1.00 0.41 C ATOM 307 C LYS A 15 -18.476 2.760 -7.524 1.00 0.35 C ATOM 308 O LYS A 15 -17.903 3.049 -6.479 1.00 0.31 O ATOM 309 CB LYS A 15 -17.264 1.038 -8.874 1.00 0.50 C ATOM 310 CG LYS A 15 -16.485 0.688 -10.132 1.00 0.67 C ATOM 311 CD LYS A 15 -17.329 0.860 -11.382 1.00 0.80 C ATOM 312 CE LYS A 15 -16.532 0.535 -12.632 1.00 1.02 C ATOM 313 NZ LYS A 15 -17.365 0.623 -13.857 1.00 1.28 N ATOM 0 H LYS A 15 -15.828 3.130 -8.080 1.00 0.39 H new ATOM 0 HA LYS A 15 -18.307 2.735 -9.659 1.00 0.41 H new ATOM 0 HB2 LYS A 15 -16.656 0.796 -8.003 1.00 0.50 H new ATOM 0 HB3 LYS A 15 -18.155 0.412 -8.824 1.00 0.50 H new ATOM 0 HG2 LYS A 15 -15.601 1.321 -10.200 1.00 0.67 H new ATOM 0 HG3 LYS A 15 -16.135 -0.342 -10.068 1.00 0.67 H new ATOM 0 HD2 LYS A 15 -18.203 0.211 -11.326 1.00 0.80 H new ATOM 0 HD3 LYS A 15 -17.696 1.885 -11.438 1.00 0.80 H new ATOM 0 HE2 LYS A 15 -15.690 1.223 -12.715 1.00 1.02 H new ATOM 0 HE3 LYS A 15 -16.116 -0.469 -12.547 1.00 1.02 H new ATOM 0 HZ1 LYS A 15 -16.784 0.394 -14.689 1.00 1.28 H new ATOM 0 HZ2 LYS A 15 -18.154 -0.051 -13.789 1.00 1.28 H new ATOM 0 HZ3 LYS A 15 -17.741 1.588 -13.952 1.00 1.28 H new ATOM 327 N THR A 16 -19.783 2.680 -7.609 1.00 0.38 N ATOM 328 CA THR A 16 -20.620 2.936 -6.456 1.00 0.37 C ATOM 329 C THR A 16 -21.170 1.625 -5.902 1.00 0.35 C ATOM 330 O THR A 16 -21.964 0.949 -6.555 1.00 0.39 O ATOM 331 CB THR A 16 -21.770 3.889 -6.825 1.00 0.45 C ATOM 332 OG1 THR A 16 -21.230 5.067 -7.441 1.00 0.50 O ATOM 333 CG2 THR A 16 -22.577 4.279 -5.594 1.00 0.45 C ATOM 0 H THR A 16 -20.291 2.441 -8.461 1.00 0.38 H new ATOM 0 HA THR A 16 -20.014 3.413 -5.686 1.00 0.37 H new ATOM 0 HB THR A 16 -22.436 3.376 -7.519 1.00 0.45 H new ATOM 0 HG1 THR A 16 -21.960 5.676 -7.679 1.00 0.50 H new ATOM 0 HG21 THR A 16 -23.383 4.953 -5.886 1.00 0.45 H new ATOM 0 HG22 THR A 16 -23.000 3.384 -5.138 1.00 0.45 H new ATOM 0 HG23 THR A 16 -21.927 4.780 -4.876 1.00 0.45 H new ATOM 341 N MET A 17 -20.727 1.265 -4.705 1.00 0.31 N ATOM 342 CA MET A 17 -21.131 0.014 -4.071 1.00 0.32 C ATOM 343 C MET A 17 -21.584 0.275 -2.650 1.00 0.32 C ATOM 344 O MET A 17 -21.106 1.207 -1.998 1.00 0.31 O ATOM 345 CB MET A 17 -19.969 -0.994 -4.066 1.00 0.34 C ATOM 346 CG MET A 17 -20.054 -2.062 -5.147 1.00 0.44 C ATOM 347 SD MET A 17 -21.139 -3.443 -4.706 1.00 1.04 S ATOM 348 CE MET A 17 -20.236 -4.199 -3.350 1.00 0.40 C ATOM 0 H MET A 17 -20.082 1.826 -4.148 1.00 0.31 H new ATOM 0 HA MET A 17 -21.957 -0.408 -4.643 1.00 0.32 H new ATOM 0 HB2 MET A 17 -19.032 -0.450 -4.184 1.00 0.34 H new ATOM 0 HB3 MET A 17 -19.933 -1.483 -3.092 1.00 0.34 H new ATOM 0 HG2 MET A 17 -20.413 -1.607 -6.070 1.00 0.44 H new ATOM 0 HG3 MET A 17 -19.054 -2.445 -5.349 1.00 0.44 H new ATOM 0 HE1 MET A 17 -20.562 -5.232 -3.226 1.00 0.40 H new ATOM 0 HE2 MET A 17 -19.168 -4.180 -3.568 1.00 0.40 H new ATOM 0 HE3 MET A 17 -20.429 -3.645 -2.431 1.00 0.40 H new ATOM 358 N GLN A 18 -22.509 -0.535 -2.176 1.00 0.36 N ATOM 359 CA GLN A 18 -22.974 -0.424 -0.813 1.00 0.37 C ATOM 360 C GLN A 18 -22.527 -1.616 0.000 1.00 0.35 C ATOM 361 O GLN A 18 -22.560 -2.755 -0.470 1.00 0.38 O ATOM 362 CB GLN A 18 -24.489 -0.285 -0.767 1.00 0.44 C ATOM 363 CG GLN A 18 -24.948 1.078 -1.229 1.00 0.49 C ATOM 364 CD GLN A 18 -26.354 1.069 -1.775 1.00 0.59 C ATOM 365 OE1 GLN A 18 -27.214 0.315 -1.322 1.00 0.92 O ATOM 366 NE2 GLN A 18 -26.587 1.896 -2.776 1.00 0.60 N ATOM 0 H GLN A 18 -22.952 -1.277 -2.717 1.00 0.36 H new ATOM 0 HA GLN A 18 -22.536 0.474 -0.378 1.00 0.37 H new ATOM 0 HB2 GLN A 18 -24.942 -1.052 -1.395 1.00 0.44 H new ATOM 0 HB3 GLN A 18 -24.838 -0.459 0.251 1.00 0.44 H new ATOM 0 HG2 GLN A 18 -24.892 1.777 -0.395 1.00 0.49 H new ATOM 0 HG3 GLN A 18 -24.267 1.444 -1.998 1.00 0.49 H new ATOM 0 HE21 GLN A 18 -25.843 2.504 -3.119 1.00 0.60 H new ATOM 0 HE22 GLN A 18 -27.511 1.928 -3.207 1.00 0.60 H new ATOM 375 N PHE A 19 -22.104 -1.343 1.217 1.00 0.34 N ATOM 376 CA PHE A 19 -21.660 -2.369 2.130 1.00 0.33 C ATOM 377 C PHE A 19 -22.388 -2.168 3.439 1.00 0.37 C ATOM 378 O PHE A 19 -22.902 -1.079 3.702 1.00 0.40 O ATOM 379 CB PHE A 19 -20.149 -2.277 2.370 1.00 0.29 C ATOM 380 CG PHE A 19 -19.318 -2.372 1.124 1.00 0.27 C ATOM 381 CD1 PHE A 19 -18.944 -3.604 0.620 1.00 0.33 C ATOM 382 CD2 PHE A 19 -18.903 -1.228 0.463 1.00 0.30 C ATOM 383 CE1 PHE A 19 -18.173 -3.696 -0.523 1.00 0.36 C ATOM 384 CE2 PHE A 19 -18.131 -1.311 -0.680 1.00 0.31 C ATOM 385 CZ PHE A 19 -17.765 -2.548 -1.173 1.00 0.31 C ATOM 0 H PHE A 19 -22.059 -0.399 1.600 1.00 0.34 H new ATOM 0 HA PHE A 19 -21.873 -3.350 1.706 1.00 0.33 H new ATOM 0 HB2 PHE A 19 -19.929 -1.333 2.868 1.00 0.29 H new ATOM 0 HB3 PHE A 19 -19.852 -3.074 3.052 1.00 0.29 H new ATOM 0 HD1 PHE A 19 -19.258 -4.505 1.126 1.00 0.33 H new ATOM 0 HD2 PHE A 19 -19.186 -0.259 0.846 1.00 0.30 H new ATOM 0 HE1 PHE A 19 -17.890 -4.665 -0.908 1.00 0.36 H new ATOM 0 HE2 PHE A 19 -17.815 -0.411 -1.186 1.00 0.31 H new ATOM 0 HZ PHE A 19 -17.161 -2.617 -2.065 1.00 0.31 H new ATOM 395 N GLU A 20 -22.457 -3.196 4.248 1.00 0.39 N ATOM 396 CA GLU A 20 -23.052 -3.067 5.559 1.00 0.43 C ATOM 397 C GLU A 20 -22.085 -2.347 6.483 1.00 0.44 C ATOM 398 O GLU A 20 -20.865 -2.463 6.336 1.00 0.47 O ATOM 399 CB GLU A 20 -23.393 -4.433 6.144 1.00 0.50 C ATOM 400 CG GLU A 20 -24.408 -5.217 5.337 1.00 0.61 C ATOM 401 CD GLU A 20 -24.532 -6.639 5.830 1.00 0.90 C ATOM 402 OE1 GLU A 20 -24.967 -6.837 6.983 1.00 1.42 O ATOM 403 OE2 GLU A 20 -24.178 -7.568 5.075 1.00 1.06 O ATOM 0 H GLU A 20 -22.110 -4.129 4.025 1.00 0.39 H new ATOM 0 HA GLU A 20 -23.975 -2.495 5.464 1.00 0.43 H new ATOM 0 HB2 GLU A 20 -22.478 -5.020 6.225 1.00 0.50 H new ATOM 0 HB3 GLU A 20 -23.776 -4.298 7.156 1.00 0.50 H new ATOM 0 HG2 GLU A 20 -25.379 -4.725 5.396 1.00 0.61 H new ATOM 0 HG3 GLU A 20 -24.115 -5.220 4.287 1.00 0.61 H new ATOM 410 N PRO A 21 -22.612 -1.599 7.450 1.00 0.50 N ATOM 411 CA PRO A 21 -21.800 -0.906 8.444 1.00 0.53 C ATOM 412 C PRO A 21 -20.892 -1.884 9.191 1.00 0.53 C ATOM 413 O PRO A 21 -19.757 -1.560 9.554 1.00 0.65 O ATOM 414 CB PRO A 21 -22.840 -0.275 9.386 1.00 0.57 C ATOM 415 CG PRO A 21 -24.127 -0.963 9.084 1.00 0.61 C ATOM 416 CD PRO A 21 -24.044 -1.365 7.648 1.00 0.62 C ATOM 0 HA PRO A 21 -21.130 -0.167 8.004 1.00 0.53 H new ATOM 0 HB2 PRO A 21 -22.558 -0.413 10.430 1.00 0.57 H new ATOM 0 HB3 PRO A 21 -22.921 0.799 9.217 1.00 0.57 H new ATOM 0 HG2 PRO A 21 -24.266 -1.833 9.726 1.00 0.61 H new ATOM 0 HG3 PRO A 21 -24.975 -0.300 9.257 1.00 0.61 H new ATOM 0 HD2 PRO A 21 -24.630 -2.261 7.446 1.00 0.62 H new ATOM 0 HD3 PRO A 21 -24.420 -0.583 6.988 1.00 0.62 H new ATOM 424 N SER A 22 -21.385 -3.102 9.366 1.00 0.50 N ATOM 425 CA SER A 22 -20.654 -4.137 10.074 1.00 0.61 C ATOM 426 C SER A 22 -20.045 -5.160 9.113 1.00 0.84 C ATOM 427 O SER A 22 -19.630 -6.238 9.539 1.00 1.64 O ATOM 428 CB SER A 22 -21.601 -4.830 11.050 1.00 0.68 C ATOM 429 OG SER A 22 -22.828 -5.152 10.413 1.00 1.32 O ATOM 0 H SER A 22 -22.299 -3.397 9.022 1.00 0.50 H new ATOM 0 HA SER A 22 -19.830 -3.672 10.615 1.00 0.61 H new ATOM 0 HB2 SER A 22 -21.135 -5.738 11.434 1.00 0.68 H new ATOM 0 HB3 SER A 22 -21.789 -4.181 11.906 1.00 0.68 H new ATOM 0 HG SER A 22 -23.422 -5.597 11.053 1.00 1.32 H new ATOM 435 N THR A 23 -19.985 -4.821 7.822 1.00 0.41 N ATOM 436 CA THR A 23 -19.417 -5.718 6.817 1.00 0.49 C ATOM 437 C THR A 23 -17.999 -6.141 7.182 1.00 0.63 C ATOM 438 O THR A 23 -17.700 -7.335 7.200 1.00 1.47 O ATOM 439 CB THR A 23 -19.436 -5.068 5.415 1.00 0.51 C ATOM 440 OG1 THR A 23 -20.742 -5.189 4.850 1.00 0.68 O ATOM 441 CG2 THR A 23 -18.424 -5.694 4.475 1.00 0.50 C ATOM 0 H THR A 23 -20.323 -3.933 7.451 1.00 0.41 H new ATOM 0 HA THR A 23 -20.042 -6.611 6.794 1.00 0.49 H new ATOM 0 HB THR A 23 -19.168 -4.019 5.539 1.00 0.51 H new ATOM 0 HG1 THR A 23 -20.667 -5.398 3.895 1.00 0.68 H new ATOM 0 HG21 THR A 23 -18.477 -5.202 3.504 1.00 0.50 H new ATOM 0 HG22 THR A 23 -17.422 -5.575 4.888 1.00 0.50 H new ATOM 0 HG23 THR A 23 -18.644 -6.755 4.357 1.00 0.50 H new ATOM 449 N MET A 24 -17.153 -5.155 7.502 1.00 0.54 N ATOM 450 CA MET A 24 -15.748 -5.391 7.843 1.00 0.48 C ATOM 451 C MET A 24 -14.932 -5.604 6.567 1.00 0.43 C ATOM 452 O MET A 24 -15.376 -6.281 5.643 1.00 0.47 O ATOM 453 CB MET A 24 -15.619 -6.587 8.797 1.00 0.60 C ATOM 454 CG MET A 24 -14.481 -6.498 9.785 1.00 0.57 C ATOM 455 SD MET A 24 -14.662 -7.708 11.105 1.00 0.83 S ATOM 456 CE MET A 24 -13.577 -7.007 12.333 1.00 0.71 C ATOM 0 H MET A 24 -17.424 -4.172 7.531 1.00 0.54 H new ATOM 0 HA MET A 24 -15.353 -4.515 8.358 1.00 0.48 H new ATOM 0 HB2 MET A 24 -16.552 -6.693 9.350 1.00 0.60 H new ATOM 0 HB3 MET A 24 -15.495 -7.493 8.204 1.00 0.60 H new ATOM 0 HG2 MET A 24 -13.535 -6.660 9.268 1.00 0.57 H new ATOM 0 HG3 MET A 24 -14.444 -5.495 10.211 1.00 0.57 H new ATOM 0 HE1 MET A 24 -13.505 -7.684 13.184 1.00 0.71 H new ATOM 0 HE2 MET A 24 -12.587 -6.860 11.902 1.00 0.71 H new ATOM 0 HE3 MET A 24 -13.974 -6.048 12.665 1.00 0.71 H new ATOM 466 N VAL A 25 -13.756 -4.984 6.525 1.00 0.40 N ATOM 467 CA VAL A 25 -12.898 -4.959 5.331 1.00 0.38 C ATOM 468 C VAL A 25 -12.845 -6.293 4.569 1.00 0.39 C ATOM 469 O VAL A 25 -13.100 -6.320 3.365 1.00 0.39 O ATOM 470 CB VAL A 25 -11.467 -4.518 5.701 1.00 0.41 C ATOM 471 CG1 VAL A 25 -10.516 -4.659 4.521 1.00 0.42 C ATOM 472 CG2 VAL A 25 -11.490 -3.083 6.198 1.00 0.40 C ATOM 0 H VAL A 25 -13.364 -4.480 7.320 1.00 0.40 H new ATOM 0 HA VAL A 25 -13.356 -4.234 4.658 1.00 0.38 H new ATOM 0 HB VAL A 25 -11.101 -5.170 6.494 1.00 0.41 H new ATOM 0 HG11 VAL A 25 -9.517 -4.339 4.818 1.00 0.42 H new ATOM 0 HG12 VAL A 25 -10.484 -5.701 4.202 1.00 0.42 H new ATOM 0 HG13 VAL A 25 -10.865 -4.038 3.696 1.00 0.42 H new ATOM 0 HG21 VAL A 25 -10.478 -2.772 6.459 1.00 0.40 H new ATOM 0 HG22 VAL A 25 -11.878 -2.433 5.414 1.00 0.40 H new ATOM 0 HG23 VAL A 25 -12.130 -3.013 7.078 1.00 0.40 H new ATOM 482 N TYR A 26 -12.527 -7.383 5.263 1.00 0.42 N ATOM 483 CA TYR A 26 -12.367 -8.685 4.605 1.00 0.45 C ATOM 484 C TYR A 26 -13.648 -9.128 3.883 1.00 0.43 C ATOM 485 O TYR A 26 -13.591 -9.836 2.878 1.00 0.42 O ATOM 486 CB TYR A 26 -11.907 -9.762 5.600 1.00 0.52 C ATOM 487 CG TYR A 26 -12.950 -10.191 6.609 1.00 0.56 C ATOM 488 CD1 TYR A 26 -13.128 -9.486 7.795 1.00 0.58 C ATOM 489 CD2 TYR A 26 -13.764 -11.289 6.373 1.00 0.70 C ATOM 490 CE1 TYR A 26 -14.084 -9.868 8.716 1.00 0.65 C ATOM 491 CE2 TYR A 26 -14.723 -11.674 7.288 1.00 0.78 C ATOM 492 CZ TYR A 26 -14.853 -10.998 8.469 1.00 0.72 C ATOM 493 OH TYR A 26 -15.837 -11.345 9.368 1.00 0.83 O ATOM 0 H TYR A 26 -12.375 -7.396 6.272 1.00 0.42 H new ATOM 0 HA TYR A 26 -11.590 -8.562 3.850 1.00 0.45 H new ATOM 0 HB2 TYR A 26 -11.584 -10.639 5.039 1.00 0.52 H new ATOM 0 HB3 TYR A 26 -11.035 -9.389 6.138 1.00 0.52 H new ATOM 0 HD1 TYR A 26 -12.508 -8.625 7.999 1.00 0.58 H new ATOM 0 HD2 TYR A 26 -13.646 -11.852 5.459 1.00 0.70 H new ATOM 0 HE1 TYR A 26 -14.232 -9.294 9.619 1.00 0.65 H new ATOM 0 HE2 TYR A 26 -15.371 -12.510 7.071 1.00 0.78 H new ATOM 0 HH TYR A 26 -16.291 -12.157 9.059 1.00 0.83 H new ATOM 503 N ASP A 27 -14.795 -8.710 4.395 1.00 0.43 N ATOM 504 CA ASP A 27 -16.067 -9.031 3.759 1.00 0.44 C ATOM 505 C ASP A 27 -16.303 -8.112 2.565 1.00 0.39 C ATOM 506 O ASP A 27 -16.832 -8.527 1.537 1.00 0.40 O ATOM 507 CB ASP A 27 -17.218 -8.935 4.762 1.00 0.50 C ATOM 508 CG ASP A 27 -18.575 -9.265 4.159 1.00 0.91 C ATOM 509 OD1 ASP A 27 -18.638 -10.108 3.241 1.00 1.24 O ATOM 510 OD2 ASP A 27 -19.583 -8.656 4.567 1.00 1.48 O ATOM 0 H ASP A 27 -14.874 -8.151 5.244 1.00 0.43 H new ATOM 0 HA ASP A 27 -16.027 -10.059 3.400 1.00 0.44 H new ATOM 0 HB2 ASP A 27 -17.023 -9.613 5.593 1.00 0.50 H new ATOM 0 HB3 ASP A 27 -17.248 -7.926 5.174 1.00 0.50 H new ATOM 515 N ALA A 28 -15.886 -6.860 2.692 1.00 0.37 N ATOM 516 CA ALA A 28 -16.081 -5.884 1.635 1.00 0.33 C ATOM 517 C ALA A 28 -15.260 -6.248 0.410 1.00 0.32 C ATOM 518 O ALA A 28 -15.774 -6.285 -0.711 1.00 0.31 O ATOM 519 CB ALA A 28 -15.715 -4.490 2.128 1.00 0.33 C ATOM 0 H ALA A 28 -15.410 -6.498 3.519 1.00 0.37 H new ATOM 0 HA ALA A 28 -17.134 -5.888 1.353 1.00 0.33 H new ATOM 0 HB1 ALA A 28 -15.866 -3.769 1.325 1.00 0.33 H new ATOM 0 HB2 ALA A 28 -16.347 -4.226 2.976 1.00 0.33 H new ATOM 0 HB3 ALA A 28 -14.670 -4.476 2.436 1.00 0.33 H new ATOM 525 N CYS A 29 -13.988 -6.536 0.639 1.00 0.35 N ATOM 526 CA CYS A 29 -13.071 -6.857 -0.437 1.00 0.37 C ATOM 527 C CYS A 29 -13.486 -8.129 -1.185 1.00 0.38 C ATOM 528 O CYS A 29 -13.205 -8.267 -2.379 1.00 0.40 O ATOM 529 CB CYS A 29 -11.649 -6.991 0.109 1.00 0.45 C ATOM 530 SG CYS A 29 -11.449 -8.255 1.379 1.00 1.37 S ATOM 0 H CYS A 29 -13.568 -6.553 1.568 1.00 0.35 H new ATOM 0 HA CYS A 29 -13.102 -6.038 -1.156 1.00 0.37 H new ATOM 0 HB2 CYS A 29 -10.976 -7.216 -0.718 1.00 0.45 H new ATOM 0 HB3 CYS A 29 -11.339 -6.030 0.519 1.00 0.45 H new ATOM 0 HG CYS A 29 -12.599 -8.811 1.623 1.00 1.37 H new ATOM 536 N ARG A 30 -14.166 -9.043 -0.496 1.00 0.40 N ATOM 537 CA ARG A 30 -14.576 -10.295 -1.124 1.00 0.44 C ATOM 538 C ARG A 30 -15.819 -10.104 -1.989 1.00 0.42 C ATOM 539 O ARG A 30 -15.976 -10.767 -3.012 1.00 0.45 O ATOM 540 CB ARG A 30 -14.790 -11.426 -0.107 1.00 0.49 C ATOM 541 CG ARG A 30 -15.844 -11.160 0.957 1.00 0.53 C ATOM 542 CD ARG A 30 -16.236 -12.451 1.661 1.00 0.71 C ATOM 543 NE ARG A 30 -17.309 -12.245 2.629 1.00 1.12 N ATOM 544 CZ ARG A 30 -17.932 -13.224 3.284 1.00 1.68 C ATOM 545 NH1 ARG A 30 -17.607 -14.492 3.070 1.00 1.94 N ATOM 546 NH2 ARG A 30 -18.900 -12.925 4.141 1.00 2.41 N ATOM 0 H ARG A 30 -14.441 -8.943 0.481 1.00 0.40 H new ATOM 0 HA ARG A 30 -13.751 -10.598 -1.769 1.00 0.44 H new ATOM 0 HB2 ARG A 30 -15.066 -12.331 -0.649 1.00 0.49 H new ATOM 0 HB3 ARG A 30 -13.841 -11.629 0.389 1.00 0.49 H new ATOM 0 HG2 ARG A 30 -15.461 -10.445 1.685 1.00 0.53 H new ATOM 0 HG3 ARG A 30 -16.724 -10.708 0.499 1.00 0.53 H new ATOM 0 HD2 ARG A 30 -16.553 -13.185 0.920 1.00 0.71 H new ATOM 0 HD3 ARG A 30 -15.365 -12.865 2.169 1.00 0.71 H new ATOM 0 HE ARG A 30 -17.602 -11.286 2.817 1.00 1.12 H new ATOM 0 HH11 ARG A 30 -16.875 -14.725 2.399 1.00 1.94 H new ATOM 0 HH12 ARG A 30 -18.089 -15.235 3.576 1.00 1.94 H new ATOM 0 HH21 ARG A 30 -19.162 -11.951 4.295 1.00 2.41 H new ATOM 0 HH22 ARG A 30 -19.382 -13.669 4.646 1.00 2.41 H new ATOM 560 N MET A 31 -16.704 -9.203 -1.590 1.00 0.39 N ATOM 561 CA MET A 31 -17.884 -8.916 -2.389 1.00 0.40 C ATOM 562 C MET A 31 -17.554 -8.008 -3.560 1.00 0.38 C ATOM 563 O MET A 31 -18.050 -8.209 -4.659 1.00 0.44 O ATOM 564 CB MET A 31 -18.970 -8.274 -1.544 1.00 0.39 C ATOM 565 CG MET A 31 -19.365 -9.118 -0.354 1.00 0.43 C ATOM 566 SD MET A 31 -20.540 -8.277 0.711 1.00 0.45 S ATOM 567 CE MET A 31 -19.479 -6.965 1.290 1.00 0.39 C ATOM 0 H MET A 31 -16.629 -8.664 -0.727 1.00 0.39 H new ATOM 0 HA MET A 31 -18.247 -9.868 -2.776 1.00 0.40 H new ATOM 0 HB2 MET A 31 -18.624 -7.301 -1.194 1.00 0.39 H new ATOM 0 HB3 MET A 31 -19.848 -8.096 -2.164 1.00 0.39 H new ATOM 0 HG2 MET A 31 -19.799 -10.055 -0.703 1.00 0.43 H new ATOM 0 HG3 MET A 31 -18.474 -9.373 0.220 1.00 0.43 H new ATOM 0 HE1 MET A 31 -20.082 -6.092 1.538 1.00 0.39 H new ATOM 0 HE2 MET A 31 -18.940 -7.297 2.177 1.00 0.39 H new ATOM 0 HE3 MET A 31 -18.765 -6.703 0.509 1.00 0.39 H new ATOM 577 N ILE A 32 -16.720 -7.007 -3.328 1.00 0.34 N ATOM 578 CA ILE A 32 -16.385 -6.052 -4.376 1.00 0.33 C ATOM 579 C ILE A 32 -15.710 -6.743 -5.567 1.00 0.36 C ATOM 580 O ILE A 32 -16.043 -6.460 -6.714 1.00 0.40 O ATOM 581 CB ILE A 32 -15.503 -4.901 -3.847 1.00 0.30 C ATOM 582 CG1 ILE A 32 -15.282 -3.866 -4.947 1.00 0.40 C ATOM 583 CG2 ILE A 32 -14.172 -5.417 -3.325 1.00 0.30 C ATOM 584 CD1 ILE A 32 -14.419 -2.711 -4.514 1.00 0.48 C ATOM 0 H ILE A 32 -16.265 -6.834 -2.432 1.00 0.34 H new ATOM 0 HA ILE A 32 -17.325 -5.619 -4.719 1.00 0.33 H new ATOM 0 HB ILE A 32 -16.023 -4.429 -3.013 1.00 0.30 H new ATOM 0 HG12 ILE A 32 -14.821 -4.353 -5.807 1.00 0.40 H new ATOM 0 HG13 ILE A 32 -16.248 -3.485 -5.277 1.00 0.40 H new ATOM 0 HG21 ILE A 32 -13.575 -4.581 -2.960 1.00 0.30 H new ATOM 0 HG22 ILE A 32 -14.348 -6.120 -2.511 1.00 0.30 H new ATOM 0 HG23 ILE A 32 -13.636 -5.921 -4.129 1.00 0.30 H new ATOM 0 HD11 ILE A 32 -14.302 -2.013 -5.343 1.00 0.48 H new ATOM 0 HD12 ILE A 32 -14.889 -2.201 -3.673 1.00 0.48 H new ATOM 0 HD13 ILE A 32 -13.440 -3.082 -4.211 1.00 0.48 H new ATOM 596 N ARG A 33 -14.782 -7.660 -5.289 1.00 0.36 N ATOM 597 CA ARG A 33 -14.144 -8.451 -6.344 1.00 0.41 C ATOM 598 C ARG A 33 -15.184 -9.311 -7.063 1.00 0.45 C ATOM 599 O ARG A 33 -15.036 -9.647 -8.236 1.00 0.49 O ATOM 600 CB ARG A 33 -13.014 -9.326 -5.772 1.00 0.45 C ATOM 601 CG ARG A 33 -13.488 -10.500 -4.925 1.00 1.01 C ATOM 602 CD ARG A 33 -12.326 -11.210 -4.243 1.00 0.94 C ATOM 603 NE ARG A 33 -11.657 -10.347 -3.270 1.00 0.64 N ATOM 604 CZ ARG A 33 -10.762 -10.767 -2.374 1.00 0.84 C ATOM 605 NH1 ARG A 33 -10.405 -12.044 -2.322 1.00 1.32 N ATOM 606 NH2 ARG A 33 -10.220 -9.898 -1.529 1.00 1.22 N ATOM 0 H ARG A 33 -14.456 -7.873 -4.346 1.00 0.36 H new ATOM 0 HA ARG A 33 -13.701 -7.765 -7.066 1.00 0.41 H new ATOM 0 HB2 ARG A 33 -12.415 -9.709 -6.598 1.00 0.45 H new ATOM 0 HB3 ARG A 33 -12.358 -8.700 -5.167 1.00 0.45 H new ATOM 0 HG2 ARG A 33 -14.190 -10.144 -4.171 1.00 1.01 H new ATOM 0 HG3 ARG A 33 -14.028 -11.208 -5.554 1.00 1.01 H new ATOM 0 HD2 ARG A 33 -12.691 -12.107 -3.743 1.00 0.94 H new ATOM 0 HD3 ARG A 33 -11.607 -11.535 -4.995 1.00 0.94 H new ATOM 0 HE ARG A 33 -11.891 -9.354 -3.277 1.00 0.64 H new ATOM 0 HH11 ARG A 33 -10.816 -12.715 -2.971 1.00 1.32 H new ATOM 0 HH12 ARG A 33 -9.720 -12.354 -1.633 1.00 1.32 H new ATOM 0 HH21 ARG A 33 -10.488 -8.915 -1.567 1.00 1.22 H new ATOM 0 HH22 ARG A 33 -9.535 -10.214 -0.842 1.00 1.22 H new ATOM 620 N GLU A 34 -16.239 -9.645 -6.335 1.00 0.46 N ATOM 621 CA GLU A 34 -17.314 -10.468 -6.864 1.00 0.51 C ATOM 622 C GLU A 34 -18.181 -9.653 -7.826 1.00 0.50 C ATOM 623 O GLU A 34 -18.567 -10.133 -8.895 1.00 0.54 O ATOM 624 CB GLU A 34 -18.166 -11.028 -5.721 1.00 0.55 C ATOM 625 CG GLU A 34 -19.183 -12.061 -6.167 1.00 0.90 C ATOM 626 CD GLU A 34 -18.532 -13.292 -6.757 1.00 1.51 C ATOM 627 OE1 GLU A 34 -18.298 -13.319 -7.981 1.00 2.40 O ATOM 628 OE2 GLU A 34 -18.246 -14.243 -5.997 1.00 1.50 O ATOM 0 H GLU A 34 -16.373 -9.355 -5.366 1.00 0.46 H new ATOM 0 HA GLU A 34 -16.878 -11.303 -7.412 1.00 0.51 H new ATOM 0 HB2 GLU A 34 -17.509 -11.476 -4.976 1.00 0.55 H new ATOM 0 HB3 GLU A 34 -18.688 -10.205 -5.232 1.00 0.55 H new ATOM 0 HG2 GLU A 34 -19.799 -12.351 -5.316 1.00 0.90 H new ATOM 0 HG3 GLU A 34 -19.849 -11.616 -6.906 1.00 0.90 H new ATOM 635 N ARG A 35 -18.477 -8.410 -7.450 1.00 0.51 N ATOM 636 CA ARG A 35 -19.333 -7.556 -8.268 1.00 0.55 C ATOM 637 C ARG A 35 -18.535 -6.957 -9.419 1.00 0.49 C ATOM 638 O ARG A 35 -18.892 -7.101 -10.587 1.00 0.54 O ATOM 639 CB ARG A 35 -19.910 -6.391 -7.450 1.00 0.72 C ATOM 640 CG ARG A 35 -20.177 -6.690 -5.984 1.00 0.77 C ATOM 641 CD ARG A 35 -21.325 -7.657 -5.773 1.00 0.79 C ATOM 642 NE ARG A 35 -22.601 -7.121 -6.248 1.00 1.02 N ATOM 643 CZ ARG A 35 -23.786 -7.461 -5.742 1.00 1.46 C ATOM 644 NH1 ARG A 35 -23.866 -8.364 -4.769 1.00 1.79 N ATOM 645 NH2 ARG A 35 -24.894 -6.910 -6.221 1.00 1.90 N ATOM 0 H ARG A 35 -18.139 -7.975 -6.591 1.00 0.51 H new ATOM 0 HA ARG A 35 -20.144 -8.182 -8.640 1.00 0.55 H new ATOM 0 HB2 ARG A 35 -19.220 -5.550 -7.511 1.00 0.72 H new ATOM 0 HB3 ARG A 35 -20.843 -6.072 -7.914 1.00 0.72 H new ATOM 0 HG2 ARG A 35 -19.275 -7.103 -5.534 1.00 0.77 H new ATOM 0 HG3 ARG A 35 -20.395 -5.758 -5.463 1.00 0.77 H new ATOM 0 HD2 ARG A 35 -21.110 -8.591 -6.293 1.00 0.79 H new ATOM 0 HD3 ARG A 35 -21.406 -7.894 -4.712 1.00 0.79 H new ATOM 0 HE ARG A 35 -22.582 -6.446 -7.013 1.00 1.02 H new ATOM 0 HH11 ARG A 35 -23.018 -8.800 -4.407 1.00 1.79 H new ATOM 0 HH12 ARG A 35 -24.775 -8.621 -4.385 1.00 1.79 H new ATOM 0 HH21 ARG A 35 -24.838 -6.227 -6.976 1.00 1.90 H new ATOM 0 HH22 ARG A 35 -25.801 -7.170 -5.834 1.00 1.90 H new ATOM 659 N ILE A 36 -17.442 -6.297 -9.066 1.00 0.45 N ATOM 660 CA ILE A 36 -16.649 -5.540 -10.020 1.00 0.43 C ATOM 661 C ILE A 36 -15.362 -6.282 -10.374 1.00 0.45 C ATOM 662 O ILE A 36 -14.451 -6.366 -9.553 1.00 0.44 O ATOM 663 CB ILE A 36 -16.289 -4.151 -9.444 1.00 0.43 C ATOM 664 CG1 ILE A 36 -17.500 -3.543 -8.729 1.00 0.43 C ATOM 665 CG2 ILE A 36 -15.813 -3.222 -10.553 1.00 0.44 C ATOM 666 CD1 ILE A 36 -17.174 -2.300 -7.933 1.00 0.44 C ATOM 0 H ILE A 36 -17.081 -6.272 -8.112 1.00 0.45 H new ATOM 0 HA ILE A 36 -17.249 -5.417 -10.922 1.00 0.43 H new ATOM 0 HB ILE A 36 -15.481 -4.274 -8.723 1.00 0.43 H new ATOM 0 HG12 ILE A 36 -18.263 -3.301 -9.468 1.00 0.43 H new ATOM 0 HG13 ILE A 36 -17.929 -4.290 -8.061 1.00 0.43 H new ATOM 0 HG21 ILE A 36 -15.564 -2.249 -10.130 1.00 0.44 H new ATOM 0 HG22 ILE A 36 -14.930 -3.647 -11.030 1.00 0.44 H new ATOM 0 HG23 ILE A 36 -16.604 -3.104 -11.294 1.00 0.44 H new ATOM 0 HD11 ILE A 36 -18.079 -1.926 -7.455 1.00 0.44 H new ATOM 0 HD12 ILE A 36 -16.434 -2.540 -7.170 1.00 0.44 H new ATOM 0 HD13 ILE A 36 -16.773 -1.536 -8.599 1.00 0.44 H new ATOM 678 N PRO A 37 -15.258 -6.827 -11.594 1.00 0.53 N ATOM 679 CA PRO A 37 -14.032 -7.493 -12.044 1.00 0.60 C ATOM 680 C PRO A 37 -12.881 -6.506 -12.232 1.00 0.61 C ATOM 681 O PRO A 37 -11.709 -6.883 -12.195 1.00 0.71 O ATOM 682 CB PRO A 37 -14.426 -8.123 -13.380 1.00 0.73 C ATOM 683 CG PRO A 37 -15.601 -7.338 -13.850 1.00 0.76 C ATOM 684 CD PRO A 37 -16.318 -6.863 -12.616 1.00 0.60 C ATOM 0 HA PRO A 37 -13.672 -8.220 -11.315 1.00 0.60 H new ATOM 0 HB2 PRO A 37 -13.606 -8.072 -14.096 1.00 0.73 H new ATOM 0 HB3 PRO A 37 -14.679 -9.176 -13.259 1.00 0.73 H new ATOM 0 HG2 PRO A 37 -15.284 -6.495 -14.463 1.00 0.76 H new ATOM 0 HG3 PRO A 37 -16.256 -7.952 -14.467 1.00 0.76 H new ATOM 0 HD2 PRO A 37 -16.765 -5.880 -12.765 1.00 0.60 H new ATOM 0 HD3 PRO A 37 -17.124 -7.541 -12.334 1.00 0.60 H new ATOM 692 N GLU A 38 -13.228 -5.237 -12.410 1.00 0.57 N ATOM 693 CA GLU A 38 -12.244 -4.179 -12.573 1.00 0.61 C ATOM 694 C GLU A 38 -11.610 -3.836 -11.227 1.00 0.54 C ATOM 695 O GLU A 38 -10.576 -3.172 -11.160 1.00 0.62 O ATOM 696 CB GLU A 38 -12.915 -2.949 -13.191 1.00 0.75 C ATOM 697 CG GLU A 38 -11.970 -1.796 -13.484 1.00 0.99 C ATOM 698 CD GLU A 38 -12.626 -0.709 -14.304 1.00 1.67 C ATOM 699 OE1 GLU A 38 -13.729 -0.262 -13.932 1.00 2.46 O ATOM 700 OE2 GLU A 38 -12.043 -0.300 -15.331 1.00 2.04 O ATOM 0 H GLU A 38 -14.195 -4.915 -12.445 1.00 0.57 H new ATOM 0 HA GLU A 38 -11.452 -4.519 -13.241 1.00 0.61 H new ATOM 0 HB2 GLU A 38 -13.405 -3.246 -14.119 1.00 0.75 H new ATOM 0 HB3 GLU A 38 -13.696 -2.599 -12.516 1.00 0.75 H new ATOM 0 HG2 GLU A 38 -11.614 -1.374 -12.544 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -11.096 -2.172 -14.016 1.00 0.99 H new ATOM 707 N ALA A 39 -12.228 -4.315 -10.152 1.00 0.47 N ATOM 708 CA ALA A 39 -11.738 -4.053 -8.811 1.00 0.47 C ATOM 709 C ALA A 39 -10.456 -4.823 -8.536 1.00 0.49 C ATOM 710 O ALA A 39 -9.422 -4.232 -8.243 1.00 0.55 O ATOM 711 CB ALA A 39 -12.799 -4.402 -7.778 1.00 0.47 C ATOM 0 H ALA A 39 -13.071 -4.888 -10.188 1.00 0.47 H new ATOM 0 HA ALA A 39 -11.515 -2.989 -8.737 1.00 0.47 H new ATOM 0 HB1 ALA A 39 -12.414 -4.199 -6.779 1.00 0.47 H new ATOM 0 HB2 ALA A 39 -13.690 -3.799 -7.953 1.00 0.47 H new ATOM 0 HB3 ALA A 39 -13.054 -5.458 -7.861 1.00 0.47 H new ATOM 717 N LEU A 40 -10.525 -6.145 -8.648 1.00 0.50 N ATOM 718 CA LEU A 40 -9.385 -6.990 -8.317 1.00 0.59 C ATOM 719 C LEU A 40 -8.263 -6.862 -9.345 1.00 0.67 C ATOM 720 O LEU A 40 -7.094 -6.994 -8.992 1.00 0.99 O ATOM 721 CB LEU A 40 -9.785 -8.477 -8.081 1.00 0.65 C ATOM 722 CG LEU A 40 -10.668 -9.219 -9.125 1.00 0.62 C ATOM 723 CD1 LEU A 40 -12.046 -8.595 -9.261 1.00 1.29 C ATOM 724 CD2 LEU A 40 -9.994 -9.315 -10.485 1.00 1.19 C ATOM 0 H LEU A 40 -11.352 -6.651 -8.963 1.00 0.50 H new ATOM 0 HA LEU A 40 -8.999 -6.621 -7.367 1.00 0.59 H new ATOM 0 HB2 LEU A 40 -8.863 -9.048 -7.972 1.00 0.65 H new ATOM 0 HB3 LEU A 40 -10.304 -8.525 -7.124 1.00 0.65 H new ATOM 0 HG LEU A 40 -10.795 -10.231 -8.741 1.00 0.62 H new ATOM 0 HD11 LEU A 40 -12.624 -9.148 -10.001 1.00 1.29 H new ATOM 0 HD12 LEU A 40 -12.558 -8.631 -8.299 1.00 1.29 H new ATOM 0 HD13 LEU A 40 -11.946 -7.558 -9.580 1.00 1.29 H new ATOM 0 HD21 LEU A 40 -10.649 -9.841 -11.179 1.00 1.19 H new ATOM 0 HD22 LEU A 40 -9.794 -8.313 -10.863 1.00 1.19 H new ATOM 0 HD23 LEU A 40 -9.055 -9.860 -10.388 1.00 1.19 H new ATOM 736 N ALA A 41 -8.633 -6.601 -10.607 1.00 0.65 N ATOM 737 CA ALA A 41 -7.682 -6.418 -11.715 1.00 0.74 C ATOM 738 C ALA A 41 -6.933 -7.711 -12.057 1.00 0.81 C ATOM 739 O ALA A 41 -6.826 -8.092 -13.225 1.00 1.15 O ATOM 740 CB ALA A 41 -6.701 -5.294 -11.411 1.00 0.92 C ATOM 0 H ALA A 41 -9.609 -6.510 -10.891 1.00 0.65 H new ATOM 0 HA ALA A 41 -8.267 -6.142 -12.592 1.00 0.74 H new ATOM 0 HB1 ALA A 41 -6.009 -5.179 -12.245 1.00 0.92 H new ATOM 0 HB2 ALA A 41 -7.249 -4.363 -11.263 1.00 0.92 H new ATOM 0 HB3 ALA A 41 -6.142 -5.534 -10.507 1.00 0.92 H new ATOM 746 N GLY A 42 -6.428 -8.373 -11.035 1.00 0.75 N ATOM 747 CA GLY A 42 -5.672 -9.587 -11.208 1.00 0.86 C ATOM 748 C GLY A 42 -5.728 -10.451 -9.966 1.00 0.80 C ATOM 749 O GLY A 42 -6.682 -11.206 -9.782 1.00 0.82 O ATOM 0 H GLY A 42 -6.533 -8.081 -10.063 1.00 0.75 H new ATOM 0 HA2 GLY A 42 -6.064 -10.144 -12.059 1.00 0.86 H new ATOM 0 HA3 GLY A 42 -4.635 -9.343 -11.437 1.00 0.86 H new ATOM 753 N PRO A 43 -4.718 -10.354 -9.092 1.00 0.83 N ATOM 754 CA PRO A 43 -4.685 -11.074 -7.827 1.00 0.82 C ATOM 755 C PRO A 43 -5.399 -10.303 -6.719 1.00 0.72 C ATOM 756 O PRO A 43 -4.913 -9.271 -6.261 1.00 0.66 O ATOM 757 CB PRO A 43 -3.183 -11.194 -7.519 1.00 0.94 C ATOM 758 CG PRO A 43 -2.469 -10.369 -8.553 1.00 1.09 C ATOM 759 CD PRO A 43 -3.511 -9.548 -9.262 1.00 0.98 C ATOM 0 HA PRO A 43 -5.193 -12.036 -7.887 1.00 0.82 H new ATOM 0 HB2 PRO A 43 -2.963 -10.833 -6.514 1.00 0.94 H new ATOM 0 HB3 PRO A 43 -2.860 -12.234 -7.562 1.00 0.94 H new ATOM 0 HG2 PRO A 43 -1.725 -9.725 -8.085 1.00 1.09 H new ATOM 0 HG3 PRO A 43 -1.939 -11.010 -9.258 1.00 1.09 H new ATOM 0 HD2 PRO A 43 -3.618 -8.558 -8.819 1.00 0.98 H new ATOM 0 HD3 PRO A 43 -3.266 -9.401 -10.314 1.00 0.98 H new ATOM 767 N PRO A 44 -6.562 -10.796 -6.266 1.00 0.76 N ATOM 768 CA PRO A 44 -7.368 -10.113 -5.248 1.00 0.73 C ATOM 769 C PRO A 44 -6.773 -10.227 -3.844 1.00 0.69 C ATOM 770 O PRO A 44 -7.369 -9.778 -2.866 1.00 0.74 O ATOM 771 CB PRO A 44 -8.711 -10.837 -5.325 1.00 0.93 C ATOM 772 CG PRO A 44 -8.379 -12.205 -5.810 1.00 0.99 C ATOM 773 CD PRO A 44 -7.188 -12.054 -6.717 1.00 0.89 C ATOM 0 HA PRO A 44 -7.431 -9.040 -5.432 1.00 0.73 H new ATOM 0 HB2 PRO A 44 -9.199 -10.870 -4.351 1.00 0.93 H new ATOM 0 HB3 PRO A 44 -9.395 -10.331 -6.007 1.00 0.93 H new ATOM 0 HG2 PRO A 44 -8.151 -12.869 -4.976 1.00 0.99 H new ATOM 0 HG3 PRO A 44 -9.222 -12.643 -6.345 1.00 0.99 H new ATOM 0 HD2 PRO A 44 -6.504 -12.898 -6.624 1.00 0.89 H new ATOM 0 HD3 PRO A 44 -7.486 -12.000 -7.764 1.00 0.89 H new ATOM 781 N ASN A 45 -5.598 -10.831 -3.756 1.00 0.72 N ATOM 782 CA ASN A 45 -4.905 -10.989 -2.483 1.00 0.77 C ATOM 783 C ASN A 45 -4.253 -9.678 -2.078 1.00 0.71 C ATOM 784 O ASN A 45 -4.406 -9.207 -0.948 1.00 0.85 O ATOM 785 CB ASN A 45 -3.826 -12.065 -2.592 1.00 0.87 C ATOM 786 CG ASN A 45 -4.374 -13.417 -2.991 1.00 1.41 C ATOM 787 OD1 ASN A 45 -5.483 -13.795 -2.612 1.00 2.21 O ATOM 788 ND2 ASN A 45 -3.604 -14.146 -3.779 1.00 1.37 N ATOM 0 H ASN A 45 -5.100 -11.223 -4.556 1.00 0.72 H new ATOM 0 HA ASN A 45 -5.637 -11.285 -1.731 1.00 0.77 H new ATOM 0 HB2 ASN A 45 -3.081 -11.751 -3.323 1.00 0.87 H new ATOM 0 HB3 ASN A 45 -3.314 -12.156 -1.634 1.00 0.87 H new ATOM 0 HD21 ASN A 45 -3.922 -15.061 -4.098 1.00 1.37 H new ATOM 0 HD22 ASN A 45 -2.692 -13.793 -4.069 1.00 1.37 H new ATOM 795 N ASP A 46 -3.536 -9.087 -3.020 1.00 0.61 N ATOM 796 CA ASP A 46 -2.805 -7.861 -2.782 1.00 0.68 C ATOM 797 C ASP A 46 -3.642 -6.642 -3.137 1.00 0.57 C ATOM 798 O ASP A 46 -3.111 -5.640 -3.597 1.00 0.61 O ATOM 799 CB ASP A 46 -1.504 -7.846 -3.590 1.00 0.83 C ATOM 800 CG ASP A 46 -1.576 -8.633 -4.882 1.00 1.22 C ATOM 801 OD1 ASP A 46 -1.263 -9.847 -4.867 1.00 1.38 O ATOM 802 OD2 ASP A 46 -1.923 -8.038 -5.919 1.00 1.90 O ATOM 0 H ASP A 46 -3.447 -9.447 -3.970 1.00 0.61 H new ATOM 0 HA ASP A 46 -2.568 -7.820 -1.719 1.00 0.68 H new ATOM 0 HB2 ASP A 46 -1.242 -6.813 -3.819 1.00 0.83 H new ATOM 0 HB3 ASP A 46 -0.700 -8.250 -2.974 1.00 0.83 H new ATOM 807 N PHE A 47 -4.941 -6.721 -2.905 1.00 0.53 N ATOM 808 CA PHE A 47 -5.827 -5.583 -3.118 1.00 0.47 C ATOM 809 C PHE A 47 -6.603 -5.272 -1.844 1.00 0.44 C ATOM 810 O PHE A 47 -7.287 -6.133 -1.293 1.00 0.48 O ATOM 811 CB PHE A 47 -6.771 -5.842 -4.294 1.00 0.49 C ATOM 812 CG PHE A 47 -6.176 -5.468 -5.625 1.00 0.51 C ATOM 813 CD1 PHE A 47 -5.132 -6.207 -6.158 1.00 0.79 C ATOM 814 CD2 PHE A 47 -6.661 -4.386 -6.347 1.00 0.78 C ATOM 815 CE1 PHE A 47 -4.583 -5.876 -7.381 1.00 0.85 C ATOM 816 CE2 PHE A 47 -6.115 -4.051 -7.571 1.00 0.80 C ATOM 817 CZ PHE A 47 -5.081 -4.756 -8.080 1.00 0.63 C ATOM 0 H PHE A 47 -5.409 -7.562 -2.568 1.00 0.53 H new ATOM 0 HA PHE A 47 -5.221 -4.712 -3.368 1.00 0.47 H new ATOM 0 HB2 PHE A 47 -7.042 -6.898 -4.308 1.00 0.49 H new ATOM 0 HB3 PHE A 47 -7.692 -5.278 -4.144 1.00 0.49 H new ATOM 0 HD1 PHE A 47 -4.743 -7.052 -5.610 1.00 0.79 H new ATOM 0 HD2 PHE A 47 -7.475 -3.799 -5.947 1.00 0.78 H new ATOM 0 HE1 PHE A 47 -3.781 -6.468 -7.798 1.00 0.85 H new ATOM 0 HE2 PHE A 47 -6.519 -3.217 -8.126 1.00 0.80 H new ATOM 0 HZ PHE A 47 -4.637 -4.463 -9.020 1.00 0.63 H new ATOM 827 N GLY A 48 -6.471 -4.041 -1.370 1.00 0.42 N ATOM 828 CA GLY A 48 -7.057 -3.669 -0.100 1.00 0.41 C ATOM 829 C GLY A 48 -7.870 -2.393 -0.160 1.00 0.35 C ATOM 830 O GLY A 48 -8.042 -1.802 -1.228 1.00 0.34 O ATOM 0 H GLY A 48 -5.967 -3.292 -1.845 1.00 0.42 H new ATOM 0 HA2 GLY A 48 -7.695 -4.481 0.248 1.00 0.41 H new ATOM 0 HA3 GLY A 48 -6.262 -3.550 0.637 1.00 0.41 H new ATOM 834 N LEU A 49 -8.356 -1.963 0.998 1.00 0.31 N ATOM 835 CA LEU A 49 -9.218 -0.795 1.084 1.00 0.28 C ATOM 836 C LEU A 49 -8.460 0.412 1.627 1.00 0.29 C ATOM 837 O LEU A 49 -8.080 0.451 2.794 1.00 0.31 O ATOM 838 CB LEU A 49 -10.429 -1.094 1.972 1.00 0.26 C ATOM 839 CG LEU A 49 -11.276 -2.297 1.547 1.00 0.26 C ATOM 840 CD1 LEU A 49 -12.457 -2.476 2.485 1.00 0.27 C ATOM 841 CD2 LEU A 49 -11.757 -2.134 0.116 1.00 0.25 C ATOM 0 H LEU A 49 -8.165 -2.410 1.895 1.00 0.31 H new ATOM 0 HA LEU A 49 -9.561 -0.557 0.077 1.00 0.28 H new ATOM 0 HB2 LEU A 49 -10.079 -1.260 2.991 1.00 0.26 H new ATOM 0 HB3 LEU A 49 -11.068 -0.211 1.995 1.00 0.26 H new ATOM 0 HG LEU A 49 -10.653 -3.190 1.601 1.00 0.26 H new ATOM 0 HD11 LEU A 49 -13.047 -3.336 2.167 1.00 0.27 H new ATOM 0 HD12 LEU A 49 -12.094 -2.640 3.500 1.00 0.27 H new ATOM 0 HD13 LEU A 49 -13.079 -1.581 2.462 1.00 0.27 H new ATOM 0 HD21 LEU A 49 -12.357 -2.999 -0.167 1.00 0.25 H new ATOM 0 HD22 LEU A 49 -12.362 -1.231 0.036 1.00 0.25 H new ATOM 0 HD23 LEU A 49 -10.898 -2.055 -0.550 1.00 0.25 H new ATOM 853 N PHE A 50 -8.222 1.370 0.759 1.00 0.29 N ATOM 854 CA PHE A 50 -7.601 2.627 1.147 1.00 0.30 C ATOM 855 C PHE A 50 -8.670 3.701 1.306 1.00 0.30 C ATOM 856 O PHE A 50 -9.458 3.941 0.398 1.00 0.31 O ATOM 857 CB PHE A 50 -6.559 3.050 0.106 1.00 0.34 C ATOM 858 CG PHE A 50 -5.795 4.298 0.462 1.00 0.34 C ATOM 859 CD1 PHE A 50 -4.623 4.228 1.207 1.00 0.37 C ATOM 860 CD2 PHE A 50 -6.242 5.542 0.045 1.00 0.36 C ATOM 861 CE1 PHE A 50 -3.921 5.374 1.527 1.00 0.38 C ATOM 862 CE2 PHE A 50 -5.542 6.689 0.364 1.00 0.38 C ATOM 863 CZ PHE A 50 -4.381 6.605 1.105 1.00 0.37 C ATOM 0 H PHE A 50 -8.451 1.305 -0.233 1.00 0.29 H new ATOM 0 HA PHE A 50 -7.092 2.494 2.102 1.00 0.30 H new ATOM 0 HB2 PHE A 50 -5.851 2.233 -0.035 1.00 0.34 H new ATOM 0 HB3 PHE A 50 -7.060 3.205 -0.849 1.00 0.34 H new ATOM 0 HD1 PHE A 50 -4.258 3.267 1.539 1.00 0.37 H new ATOM 0 HD2 PHE A 50 -7.149 5.615 -0.537 1.00 0.36 H new ATOM 0 HE1 PHE A 50 -3.013 5.307 2.107 1.00 0.38 H new ATOM 0 HE2 PHE A 50 -5.903 7.652 0.034 1.00 0.38 H new ATOM 0 HZ PHE A 50 -3.833 7.501 1.354 1.00 0.37 H new ATOM 873 N LEU A 51 -8.703 4.348 2.455 1.00 0.30 N ATOM 874 CA LEU A 51 -9.687 5.387 2.693 1.00 0.32 C ATOM 875 C LEU A 51 -9.086 6.726 2.300 1.00 0.36 C ATOM 876 O LEU A 51 -8.110 7.181 2.897 1.00 0.38 O ATOM 877 CB LEU A 51 -10.131 5.389 4.163 1.00 0.33 C ATOM 878 CG LEU A 51 -11.526 5.975 4.451 1.00 0.35 C ATOM 879 CD1 LEU A 51 -11.570 7.475 4.197 1.00 0.46 C ATOM 880 CD2 LEU A 51 -12.583 5.267 3.617 1.00 0.41 C ATOM 0 H LEU A 51 -8.066 4.175 3.233 1.00 0.30 H new ATOM 0 HA LEU A 51 -10.574 5.199 2.089 1.00 0.32 H new ATOM 0 HB2 LEU A 51 -10.108 4.363 4.529 1.00 0.33 H new ATOM 0 HB3 LEU A 51 -9.397 5.950 4.742 1.00 0.33 H new ATOM 0 HG LEU A 51 -11.739 5.811 5.507 1.00 0.35 H new ATOM 0 HD11 LEU A 51 -12.570 7.851 4.411 1.00 0.46 H new ATOM 0 HD12 LEU A 51 -10.848 7.975 4.843 1.00 0.46 H new ATOM 0 HD13 LEU A 51 -11.323 7.675 3.154 1.00 0.46 H new ATOM 0 HD21 LEU A 51 -13.563 5.693 3.833 1.00 0.41 H new ATOM 0 HD22 LEU A 51 -12.357 5.395 2.558 1.00 0.41 H new ATOM 0 HD23 LEU A 51 -12.588 4.205 3.861 1.00 0.41 H new ATOM 892 N SER A 52 -9.661 7.337 1.279 1.00 0.42 N ATOM 893 CA SER A 52 -9.116 8.560 0.723 1.00 0.53 C ATOM 894 C SER A 52 -9.694 9.781 1.423 1.00 0.61 C ATOM 895 O SER A 52 -10.905 10.010 1.404 1.00 0.93 O ATOM 896 CB SER A 52 -9.403 8.634 -0.778 1.00 0.67 C ATOM 897 OG SER A 52 -8.739 9.734 -1.376 1.00 1.28 O ATOM 0 H SER A 52 -10.508 7.004 0.818 1.00 0.42 H new ATOM 0 HA SER A 52 -8.037 8.552 0.880 1.00 0.53 H new ATOM 0 HB2 SER A 52 -9.083 7.709 -1.258 1.00 0.67 H new ATOM 0 HB3 SER A 52 -10.477 8.723 -0.941 1.00 0.67 H new ATOM 0 HG SER A 52 -8.939 9.755 -2.335 1.00 1.28 H new ATOM 903 N ASP A 53 -8.820 10.549 2.051 1.00 0.74 N ATOM 904 CA ASP A 53 -9.208 11.803 2.678 1.00 0.90 C ATOM 905 C ASP A 53 -8.852 12.960 1.755 1.00 1.04 C ATOM 906 O ASP A 53 -9.733 13.633 1.219 1.00 1.28 O ATOM 907 CB ASP A 53 -8.509 11.965 4.031 1.00 0.89 C ATOM 908 CG ASP A 53 -8.964 13.202 4.782 1.00 1.18 C ATOM 909 OD1 ASP A 53 -8.421 14.292 4.520 1.00 1.24 O ATOM 910 OD2 ASP A 53 -9.880 13.095 5.622 1.00 1.42 O ATOM 0 H ASP A 53 -7.829 10.324 2.141 1.00 0.74 H new ATOM 0 HA ASP A 53 -10.284 11.799 2.851 1.00 0.90 H new ATOM 0 HB2 ASP A 53 -8.701 11.083 4.642 1.00 0.89 H new ATOM 0 HB3 ASP A 53 -7.431 12.016 3.875 1.00 0.89 H new ATOM 915 N ASP A 54 -7.551 13.160 1.549 1.00 0.93 N ATOM 916 CA ASP A 54 -7.053 14.170 0.617 1.00 1.10 C ATOM 917 C ASP A 54 -5.547 14.017 0.432 1.00 1.02 C ATOM 918 O ASP A 54 -5.083 13.561 -0.612 1.00 1.22 O ATOM 919 CB ASP A 54 -7.371 15.586 1.103 1.00 1.26 C ATOM 920 CG ASP A 54 -6.987 16.637 0.082 1.00 1.47 C ATOM 921 OD1 ASP A 54 -7.756 16.854 -0.878 1.00 1.73 O ATOM 922 OD2 ASP A 54 -5.913 17.255 0.239 1.00 1.45 O ATOM 0 H ASP A 54 -6.817 12.631 2.020 1.00 0.93 H new ATOM 0 HA ASP A 54 -7.556 14.017 -0.338 1.00 1.10 H new ATOM 0 HB2 ASP A 54 -8.436 15.664 1.320 1.00 1.26 H new ATOM 0 HB3 ASP A 54 -6.841 15.776 2.036 1.00 1.26 H new ATOM 927 N ASP A 55 -4.792 14.388 1.460 1.00 0.87 N ATOM 928 CA ASP A 55 -3.338 14.248 1.446 1.00 0.94 C ATOM 929 C ASP A 55 -2.956 12.782 1.639 1.00 0.87 C ATOM 930 O ASP A 55 -3.666 12.049 2.329 1.00 0.71 O ATOM 931 CB ASP A 55 -2.713 15.112 2.549 1.00 0.99 C ATOM 932 CG ASP A 55 -1.198 15.025 2.592 1.00 1.39 C ATOM 933 OD1 ASP A 55 -0.535 15.696 1.771 1.00 1.58 O ATOM 934 OD2 ASP A 55 -0.665 14.285 3.442 1.00 1.79 O ATOM 0 H ASP A 55 -5.165 14.791 2.320 1.00 0.87 H new ATOM 0 HA ASP A 55 -2.957 14.587 0.483 1.00 0.94 H new ATOM 0 HB2 ASP A 55 -3.006 16.151 2.398 1.00 0.99 H new ATOM 0 HB3 ASP A 55 -3.115 14.804 3.514 1.00 0.99 H new ATOM 939 N PRO A 56 -1.860 12.323 1.004 1.00 1.06 N ATOM 940 CA PRO A 56 -1.346 10.958 1.160 1.00 1.08 C ATOM 941 C PRO A 56 -1.280 10.494 2.619 1.00 0.98 C ATOM 942 O PRO A 56 -1.545 9.330 2.911 1.00 0.97 O ATOM 943 CB PRO A 56 0.067 11.018 0.554 1.00 1.35 C ATOM 944 CG PRO A 56 0.303 12.451 0.192 1.00 1.48 C ATOM 945 CD PRO A 56 -1.052 13.078 0.041 1.00 1.33 C ATOM 0 HA PRO A 56 -2.005 10.239 0.673 1.00 1.08 H new ATOM 0 HB2 PRO A 56 0.813 10.669 1.268 1.00 1.35 H new ATOM 0 HB3 PRO A 56 0.142 10.377 -0.324 1.00 1.35 H new ATOM 0 HG2 PRO A 56 0.881 12.957 0.965 1.00 1.48 H new ATOM 0 HG3 PRO A 56 0.873 12.529 -0.734 1.00 1.48 H new ATOM 0 HD2 PRO A 56 -1.034 14.143 0.273 1.00 1.33 H new ATOM 0 HD3 PRO A 56 -1.434 12.979 -0.975 1.00 1.33 H new ATOM 953 N LYS A 57 -0.947 11.402 3.537 1.00 0.99 N ATOM 954 CA LYS A 57 -0.844 11.037 4.948 1.00 1.02 C ATOM 955 C LYS A 57 -2.211 11.038 5.627 1.00 0.82 C ATOM 956 O LYS A 57 -2.385 10.431 6.688 1.00 0.87 O ATOM 957 CB LYS A 57 0.078 11.983 5.706 1.00 1.25 C ATOM 958 CG LYS A 57 1.489 12.049 5.177 1.00 1.51 C ATOM 959 CD LYS A 57 2.420 12.474 6.288 1.00 1.62 C ATOM 960 CE LYS A 57 3.816 12.772 5.784 1.00 2.08 C ATOM 961 NZ LYS A 57 4.711 13.208 6.887 1.00 2.93 N ATOM 0 H LYS A 57 -0.747 12.381 3.333 1.00 0.99 H new ATOM 0 HA LYS A 57 -0.427 10.030 4.975 1.00 1.02 H new ATOM 0 HB2 LYS A 57 -0.352 12.984 5.681 1.00 1.25 H new ATOM 0 HB3 LYS A 57 0.111 11.676 6.751 1.00 1.25 H new ATOM 0 HG2 LYS A 57 1.789 11.076 4.788 1.00 1.51 H new ATOM 0 HG3 LYS A 57 1.546 12.755 4.349 1.00 1.51 H new ATOM 0 HD2 LYS A 57 2.016 13.360 6.779 1.00 1.62 H new ATOM 0 HD3 LYS A 57 2.468 11.687 7.040 1.00 1.62 H new ATOM 0 HE2 LYS A 57 4.230 11.883 5.308 1.00 2.08 H new ATOM 0 HE3 LYS A 57 3.771 13.550 5.022 1.00 2.08 H new ATOM 0 HZ1 LYS A 57 5.367 13.934 6.535 1.00 2.93 H new ATOM 0 HZ2 LYS A 57 4.140 13.603 7.662 1.00 2.93 H new ATOM 0 HZ3 LYS A 57 5.253 12.392 7.237 1.00 2.93 H new ATOM 975 N LYS A 58 -3.169 11.736 5.033 1.00 0.69 N ATOM 976 CA LYS A 58 -4.517 11.802 5.589 1.00 0.65 C ATOM 977 C LYS A 58 -5.234 10.488 5.342 1.00 0.56 C ATOM 978 O LYS A 58 -6.021 10.025 6.166 1.00 0.63 O ATOM 979 CB LYS A 58 -5.321 12.939 4.955 1.00 0.73 C ATOM 980 CG LYS A 58 -4.651 14.300 5.019 1.00 0.94 C ATOM 981 CD LYS A 58 -4.451 14.787 6.442 1.00 1.24 C ATOM 982 CE LYS A 58 -5.774 14.947 7.177 1.00 1.55 C ATOM 983 NZ LYS A 58 -5.591 15.542 8.528 1.00 2.16 N ATOM 0 H LYS A 58 -3.041 12.263 4.169 1.00 0.69 H new ATOM 0 HA LYS A 58 -4.434 11.990 6.659 1.00 0.65 H new ATOM 0 HB2 LYS A 58 -5.513 12.692 3.911 1.00 0.73 H new ATOM 0 HB3 LYS A 58 -6.290 13.002 5.451 1.00 0.73 H new ATOM 0 HG2 LYS A 58 -3.685 14.249 4.518 1.00 0.94 H new ATOM 0 HG3 LYS A 58 -5.255 15.024 4.473 1.00 0.94 H new ATOM 0 HD2 LYS A 58 -3.819 14.082 6.982 1.00 1.24 H new ATOM 0 HD3 LYS A 58 -3.925 15.742 6.429 1.00 1.24 H new ATOM 0 HE2 LYS A 58 -6.441 15.578 6.590 1.00 1.55 H new ATOM 0 HE3 LYS A 58 -6.257 13.974 7.271 1.00 1.55 H new ATOM 0 HZ1 LYS A 58 -6.516 15.634 8.995 1.00 2.16 H new ATOM 0 HZ2 LYS A 58 -4.975 14.927 9.098 1.00 2.16 H new ATOM 0 HZ3 LYS A 58 -5.154 16.481 8.437 1.00 2.16 H new ATOM 997 N GLY A 59 -4.959 9.903 4.185 1.00 0.54 N ATOM 998 CA GLY A 59 -5.529 8.617 3.849 1.00 0.59 C ATOM 999 C GLY A 59 -4.884 7.496 4.634 1.00 0.54 C ATOM 1000 O GLY A 59 -3.751 7.630 5.095 1.00 0.58 O ATOM 0 H GLY A 59 -4.348 10.299 3.471 1.00 0.54 H new ATOM 0 HA2 GLY A 59 -6.601 8.631 4.048 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -5.405 8.432 2.782 1.00 0.59 H new ATOM 1004 N ILE A 60 -5.589 6.384 4.766 1.00 0.49 N ATOM 1005 CA ILE A 60 -5.103 5.261 5.559 1.00 0.47 C ATOM 1006 C ILE A 60 -5.540 3.944 4.946 1.00 0.42 C ATOM 1007 O ILE A 60 -6.449 3.911 4.110 1.00 0.41 O ATOM 1008 CB ILE A 60 -5.579 5.321 7.036 1.00 0.51 C ATOM 1009 CG1 ILE A 60 -7.038 5.781 7.146 1.00 0.55 C ATOM 1010 CG2 ILE A 60 -4.675 6.215 7.863 1.00 0.60 C ATOM 1011 CD1 ILE A 60 -8.047 4.677 6.927 1.00 0.65 C ATOM 0 H ILE A 60 -6.501 6.233 4.335 1.00 0.49 H new ATOM 0 HA ILE A 60 -4.015 5.331 5.555 1.00 0.47 H new ATOM 0 HB ILE A 60 -5.521 4.308 7.434 1.00 0.51 H new ATOM 0 HG12 ILE A 60 -7.198 6.216 8.133 1.00 0.55 H new ATOM 0 HG13 ILE A 60 -7.215 6.572 6.417 1.00 0.55 H new ATOM 0 HG21 ILE A 60 -5.031 6.239 8.893 1.00 0.60 H new ATOM 0 HG22 ILE A 60 -3.657 5.825 7.840 1.00 0.60 H new ATOM 0 HG23 ILE A 60 -4.686 7.224 7.451 1.00 0.60 H new ATOM 0 HD11 ILE A 60 -9.055 5.081 7.021 1.00 0.65 H new ATOM 0 HD12 ILE A 60 -7.916 4.257 5.930 1.00 0.65 H new ATOM 0 HD13 ILE A 60 -7.899 3.895 7.672 1.00 0.65 H new ATOM 1023 N TRP A 61 -4.901 2.866 5.365 1.00 0.42 N ATOM 1024 CA TRP A 61 -5.270 1.546 4.901 1.00 0.40 C ATOM 1025 C TRP A 61 -6.236 0.910 5.876 1.00 0.40 C ATOM 1026 O TRP A 61 -6.001 0.883 7.087 1.00 0.48 O ATOM 1027 CB TRP A 61 -4.044 0.656 4.712 1.00 0.44 C ATOM 1028 CG TRP A 61 -3.247 1.005 3.496 1.00 0.43 C ATOM 1029 CD1 TRP A 61 -2.109 1.747 3.451 1.00 0.48 C ATOM 1030 CD2 TRP A 61 -3.531 0.620 2.146 1.00 0.41 C ATOM 1031 NE1 TRP A 61 -1.666 1.856 2.158 1.00 0.49 N ATOM 1032 CE2 TRP A 61 -2.520 1.168 1.337 1.00 0.45 C ATOM 1033 CE3 TRP A 61 -4.541 -0.135 1.544 1.00 0.41 C ATOM 1034 CZ2 TRP A 61 -2.489 0.986 -0.041 1.00 0.48 C ATOM 1035 CZ3 TRP A 61 -4.509 -0.317 0.176 1.00 0.45 C ATOM 1036 CH2 TRP A 61 -3.488 0.241 -0.603 1.00 0.48 C ATOM 0 H TRP A 61 -4.124 2.882 6.026 1.00 0.42 H new ATOM 0 HA TRP A 61 -5.754 1.651 3.930 1.00 0.40 H new ATOM 0 HB2 TRP A 61 -3.406 0.735 5.592 1.00 0.44 H new ATOM 0 HB3 TRP A 61 -4.364 -0.384 4.643 1.00 0.44 H new ATOM 0 HD1 TRP A 61 -1.624 2.187 4.310 1.00 0.48 H new ATOM 0 HE1 TRP A 61 -0.836 2.366 1.857 1.00 0.49 H new ATOM 0 HE3 TRP A 61 -5.332 -0.568 2.138 1.00 0.41 H new ATOM 0 HZ2 TRP A 61 -1.705 1.417 -0.645 1.00 0.48 H new ATOM 0 HZ3 TRP A 61 -5.284 -0.899 -0.301 1.00 0.45 H new ATOM 0 HH2 TRP A 61 -3.490 0.079 -1.671 1.00 0.48 H new ATOM 1047 N LEU A 62 -7.334 0.423 5.349 1.00 0.36 N ATOM 1048 CA LEU A 62 -8.351 -0.192 6.158 1.00 0.37 C ATOM 1049 C LEU A 62 -7.997 -1.649 6.433 1.00 0.42 C ATOM 1050 O LEU A 62 -8.016 -2.477 5.524 1.00 0.43 O ATOM 1051 CB LEU A 62 -9.709 -0.098 5.457 1.00 0.33 C ATOM 1052 CG LEU A 62 -10.184 1.324 5.150 1.00 0.31 C ATOM 1053 CD1 LEU A 62 -11.476 1.297 4.360 1.00 0.29 C ATOM 1054 CD2 LEU A 62 -10.376 2.110 6.430 1.00 0.35 C ATOM 0 H LEU A 62 -7.544 0.443 4.351 1.00 0.36 H new ATOM 0 HA LEU A 62 -8.411 0.336 7.109 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -9.658 -0.657 4.523 1.00 0.33 H new ATOM 0 HB3 LEU A 62 -10.457 -0.588 6.081 1.00 0.33 H new ATOM 0 HG LEU A 62 -9.417 1.814 4.550 1.00 0.31 H new ATOM 0 HD11 LEU A 62 -11.797 2.318 4.152 1.00 0.29 H new ATOM 0 HD12 LEU A 62 -11.317 0.768 3.420 1.00 0.29 H new ATOM 0 HD13 LEU A 62 -12.245 0.786 4.938 1.00 0.29 H new ATOM 0 HD21 LEU A 62 -10.714 3.118 6.191 1.00 0.35 H new ATOM 0 HD22 LEU A 62 -11.122 1.616 7.052 1.00 0.35 H new ATOM 0 HD23 LEU A 62 -9.431 2.163 6.970 1.00 0.35 H new ATOM 1066 N GLU A 63 -7.656 -1.955 7.679 1.00 0.48 N ATOM 1067 CA GLU A 63 -7.330 -3.322 8.056 1.00 0.55 C ATOM 1068 C GLU A 63 -8.600 -4.130 8.278 1.00 0.52 C ATOM 1069 O GLU A 63 -9.662 -3.564 8.549 1.00 0.48 O ATOM 1070 CB GLU A 63 -6.469 -3.340 9.322 1.00 0.65 C ATOM 1071 CG GLU A 63 -7.205 -2.930 10.591 1.00 0.68 C ATOM 1072 CD GLU A 63 -6.278 -2.860 11.786 1.00 1.07 C ATOM 1073 OE1 GLU A 63 -6.090 -3.894 12.457 1.00 1.42 O ATOM 1074 OE2 GLU A 63 -5.717 -1.775 12.046 1.00 1.30 O ATOM 0 H GLU A 63 -7.599 -1.279 8.440 1.00 0.48 H new ATOM 0 HA GLU A 63 -6.764 -3.775 7.242 1.00 0.55 H new ATOM 0 HB2 GLU A 63 -6.067 -4.344 9.458 1.00 0.65 H new ATOM 0 HB3 GLU A 63 -5.619 -2.673 9.178 1.00 0.65 H new ATOM 0 HG2 GLU A 63 -7.675 -1.958 10.440 1.00 0.68 H new ATOM 0 HG3 GLU A 63 -8.004 -3.643 10.793 1.00 0.68 H new ATOM 1081 N ALA A 64 -8.485 -5.446 8.175 1.00 0.58 N ATOM 1082 CA ALA A 64 -9.629 -6.334 8.317 1.00 0.58 C ATOM 1083 C ALA A 64 -9.909 -6.647 9.782 1.00 0.60 C ATOM 1084 O ALA A 64 -10.834 -7.391 10.102 1.00 0.65 O ATOM 1085 CB ALA A 64 -9.400 -7.617 7.533 1.00 0.64 C ATOM 0 H ALA A 64 -7.603 -5.925 7.992 1.00 0.58 H new ATOM 0 HA ALA A 64 -10.504 -5.824 7.913 1.00 0.58 H new ATOM 0 HB1 ALA A 64 -10.263 -8.273 7.648 1.00 0.64 H new ATOM 0 HB2 ALA A 64 -9.263 -7.379 6.478 1.00 0.64 H new ATOM 0 HB3 ALA A 64 -8.510 -8.120 7.910 1.00 0.64 H new ATOM 1091 N GLY A 65 -9.109 -6.069 10.669 1.00 0.64 N ATOM 1092 CA GLY A 65 -9.282 -6.294 12.094 1.00 0.70 C ATOM 1093 C GLY A 65 -10.357 -5.414 12.702 1.00 0.70 C ATOM 1094 O GLY A 65 -10.524 -5.377 13.921 1.00 0.84 O ATOM 0 H GLY A 65 -8.339 -5.445 10.427 1.00 0.64 H new ATOM 0 HA2 GLY A 65 -9.536 -7.340 12.264 1.00 0.70 H new ATOM 0 HA3 GLY A 65 -8.336 -6.109 12.604 1.00 0.70 H new ATOM 1098 N LYS A 66 -11.095 -4.709 11.853 1.00 0.60 N ATOM 1099 CA LYS A 66 -12.175 -3.856 12.309 1.00 0.61 C ATOM 1100 C LYS A 66 -13.151 -3.630 11.156 1.00 0.54 C ATOM 1101 O LYS A 66 -12.808 -3.857 9.991 1.00 0.47 O ATOM 1102 CB LYS A 66 -11.632 -2.520 12.853 1.00 0.66 C ATOM 1103 CG LYS A 66 -11.745 -1.354 11.889 1.00 0.60 C ATOM 1104 CD LYS A 66 -10.786 -1.491 10.730 1.00 0.56 C ATOM 1105 CE LYS A 66 -11.294 -0.741 9.519 1.00 0.61 C ATOM 1106 NZ LYS A 66 -10.293 -0.741 8.437 1.00 1.29 N ATOM 0 H LYS A 66 -10.961 -4.714 10.842 1.00 0.60 H new ATOM 0 HA LYS A 66 -12.700 -4.345 13.130 1.00 0.61 H new ATOM 0 HB2 LYS A 66 -12.168 -2.271 13.769 1.00 0.66 H new ATOM 0 HB3 LYS A 66 -10.584 -2.651 13.123 1.00 0.66 H new ATOM 0 HG2 LYS A 66 -12.766 -1.292 11.511 1.00 0.60 H new ATOM 0 HG3 LYS A 66 -11.544 -0.423 12.419 1.00 0.60 H new ATOM 0 HD2 LYS A 66 -9.806 -1.108 11.016 1.00 0.56 H new ATOM 0 HD3 LYS A 66 -10.656 -2.545 10.482 1.00 0.56 H new ATOM 0 HE2 LYS A 66 -12.217 -1.199 9.165 1.00 0.61 H new ATOM 0 HE3 LYS A 66 -11.534 0.285 9.797 1.00 0.61 H new ATOM 0 HZ1 LYS A 66 -10.653 -0.191 7.631 1.00 1.29 H new ATOM 0 HZ2 LYS A 66 -9.410 -0.313 8.781 1.00 1.29 H new ATOM 0 HZ3 LYS A 66 -10.109 -1.719 8.134 1.00 1.29 H new ATOM 1120 N ALA A 67 -14.354 -3.189 11.474 1.00 0.57 N ATOM 1121 CA ALA A 67 -15.383 -3.000 10.465 1.00 0.52 C ATOM 1122 C ALA A 67 -15.268 -1.628 9.800 1.00 0.47 C ATOM 1123 O ALA A 67 -14.421 -0.817 10.170 1.00 0.47 O ATOM 1124 CB ALA A 67 -16.753 -3.201 11.086 1.00 0.59 C ATOM 0 H ALA A 67 -14.644 -2.954 12.423 1.00 0.57 H new ATOM 0 HA ALA A 67 -15.243 -3.744 9.681 1.00 0.52 H new ATOM 0 HB1 ALA A 67 -17.521 -3.058 10.326 1.00 0.59 H new ATOM 0 HB2 ALA A 67 -16.825 -4.211 11.490 1.00 0.59 H new ATOM 0 HB3 ALA A 67 -16.898 -2.478 11.889 1.00 0.59 H new ATOM 1130 N LEU A 68 -16.116 -1.381 8.811 1.00 0.45 N ATOM 1131 CA LEU A 68 -16.063 -0.142 8.040 1.00 0.40 C ATOM 1132 C LEU A 68 -16.615 1.031 8.850 1.00 0.43 C ATOM 1133 O LEU A 68 -15.966 2.066 8.993 1.00 0.44 O ATOM 1134 CB LEU A 68 -16.861 -0.306 6.747 1.00 0.37 C ATOM 1135 CG LEU A 68 -16.337 -1.383 5.792 1.00 0.36 C ATOM 1136 CD1 LEU A 68 -17.258 -1.521 4.591 1.00 0.36 C ATOM 1137 CD2 LEU A 68 -14.922 -1.053 5.339 1.00 0.37 C ATOM 0 H LEU A 68 -16.853 -2.024 8.521 1.00 0.45 H new ATOM 0 HA LEU A 68 -15.021 0.071 7.800 1.00 0.40 H new ATOM 0 HB2 LEU A 68 -17.894 -0.541 7.003 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -16.872 0.649 6.222 1.00 0.37 H new ATOM 0 HG LEU A 68 -16.316 -2.334 6.325 1.00 0.36 H new ATOM 0 HD11 LEU A 68 -16.871 -2.290 3.922 1.00 0.36 H new ATOM 0 HD12 LEU A 68 -18.256 -1.801 4.928 1.00 0.36 H new ATOM 0 HD13 LEU A 68 -17.308 -0.570 4.060 1.00 0.36 H new ATOM 0 HD21 LEU A 68 -14.567 -1.829 4.661 1.00 0.37 H new ATOM 0 HD22 LEU A 68 -14.920 -0.092 4.824 1.00 0.37 H new ATOM 0 HD23 LEU A 68 -14.265 -1.001 6.207 1.00 0.37 H new ATOM 1149 N ASP A 69 -17.800 0.831 9.413 1.00 0.47 N ATOM 1150 CA ASP A 69 -18.512 1.872 10.156 1.00 0.52 C ATOM 1151 C ASP A 69 -17.839 2.123 11.500 1.00 0.58 C ATOM 1152 O ASP A 69 -18.156 3.077 12.211 1.00 0.65 O ATOM 1153 CB ASP A 69 -19.972 1.441 10.346 1.00 0.58 C ATOM 1154 CG ASP A 69 -20.805 2.399 11.179 1.00 0.86 C ATOM 1155 OD1 ASP A 69 -21.247 3.432 10.635 1.00 1.14 O ATOM 1156 OD2 ASP A 69 -20.979 2.148 12.387 1.00 1.16 O ATOM 0 H ASP A 69 -18.298 -0.058 9.369 1.00 0.47 H new ATOM 0 HA ASP A 69 -18.485 2.806 9.594 1.00 0.52 H new ATOM 0 HB2 ASP A 69 -20.437 1.332 9.366 1.00 0.58 H new ATOM 0 HB3 ASP A 69 -19.990 0.459 10.818 1.00 0.58 H new ATOM 1161 N TYR A 70 -16.899 1.248 11.836 1.00 0.59 N ATOM 1162 CA TYR A 70 -16.075 1.417 13.012 1.00 0.65 C ATOM 1163 C TYR A 70 -15.334 2.747 12.933 1.00 0.62 C ATOM 1164 O TYR A 70 -15.165 3.442 13.933 1.00 0.67 O ATOM 1165 CB TYR A 70 -15.087 0.257 13.103 1.00 0.69 C ATOM 1166 CG TYR A 70 -14.318 0.215 14.393 1.00 0.81 C ATOM 1167 CD1 TYR A 70 -14.950 -0.054 15.597 1.00 1.02 C ATOM 1168 CD2 TYR A 70 -12.957 0.454 14.404 1.00 0.84 C ATOM 1169 CE1 TYR A 70 -14.242 -0.086 16.780 1.00 1.21 C ATOM 1170 CE2 TYR A 70 -12.241 0.424 15.578 1.00 1.05 C ATOM 1171 CZ TYR A 70 -12.913 0.124 16.782 1.00 1.22 C ATOM 1172 OH TYR A 70 -12.170 0.121 17.942 1.00 1.45 O ATOM 0 H TYR A 70 -16.692 0.406 11.299 1.00 0.59 H new ATOM 0 HA TYR A 70 -16.700 1.422 13.905 1.00 0.65 H new ATOM 0 HB2 TYR A 70 -15.630 -0.681 12.984 1.00 0.69 H new ATOM 0 HB3 TYR A 70 -14.383 0.325 12.273 1.00 0.69 H new ATOM 0 HD1 TYR A 70 -16.014 -0.241 15.609 1.00 1.02 H new ATOM 0 HD2 TYR A 70 -12.447 0.668 13.476 1.00 0.84 H new ATOM 0 HE1 TYR A 70 -14.757 -0.281 17.709 1.00 1.21 H new ATOM 0 HE2 TYR A 70 -11.180 0.627 15.578 1.00 1.05 H new ATOM 0 HH TYR A 70 -11.229 0.291 17.728 1.00 1.45 H new ATOM 1182 N TYR A 71 -14.898 3.092 11.726 1.00 0.57 N ATOM 1183 CA TYR A 71 -14.295 4.391 11.462 1.00 0.58 C ATOM 1184 C TYR A 71 -15.379 5.457 11.311 1.00 0.60 C ATOM 1185 O TYR A 71 -16.419 5.391 11.960 1.00 0.69 O ATOM 1186 CB TYR A 71 -13.426 4.325 10.207 1.00 0.56 C ATOM 1187 CG TYR A 71 -12.014 3.855 10.470 1.00 0.56 C ATOM 1188 CD1 TYR A 71 -11.744 2.511 10.697 1.00 0.62 C ATOM 1189 CD2 TYR A 71 -10.951 4.747 10.492 1.00 0.58 C ATOM 1190 CE1 TYR A 71 -10.456 2.071 10.938 1.00 0.66 C ATOM 1191 CE2 TYR A 71 -9.662 4.314 10.731 1.00 0.63 C ATOM 1192 CZ TYR A 71 -9.412 3.005 10.953 1.00 0.65 C ATOM 1193 OH TYR A 71 -8.135 2.553 11.198 1.00 0.72 O ATOM 0 H TYR A 71 -14.952 2.483 10.909 1.00 0.57 H new ATOM 0 HA TYR A 71 -13.661 4.662 12.306 1.00 0.58 H new ATOM 0 HB2 TYR A 71 -13.894 3.655 9.486 1.00 0.56 H new ATOM 0 HB3 TYR A 71 -13.391 5.313 9.748 1.00 0.56 H new ATOM 0 HD1 TYR A 71 -12.555 1.798 10.685 1.00 0.62 H new ATOM 0 HD2 TYR A 71 -11.135 5.797 10.319 1.00 0.58 H new ATOM 0 HE1 TYR A 71 -10.258 1.024 11.112 1.00 0.66 H new ATOM 0 HE2 TYR A 71 -8.849 5.025 10.741 1.00 0.63 H new ATOM 0 HH TYR A 71 -7.511 3.308 11.178 1.00 0.72 H new ATOM 1203 N MET A 72 -15.136 6.442 10.458 1.00 0.60 N ATOM 1204 CA MET A 72 -16.079 7.539 10.270 1.00 0.69 C ATOM 1205 C MET A 72 -16.793 7.432 8.927 1.00 0.63 C ATOM 1206 O MET A 72 -17.295 8.429 8.408 1.00 0.75 O ATOM 1207 CB MET A 72 -15.345 8.879 10.337 1.00 0.83 C ATOM 1208 CG MET A 72 -14.675 9.151 11.674 1.00 1.02 C ATOM 1209 SD MET A 72 -13.827 10.743 11.716 1.00 1.73 S ATOM 1210 CE MET A 72 -15.199 11.868 11.465 1.00 2.38 C ATOM 0 H MET A 72 -14.295 6.505 9.885 1.00 0.60 H new ATOM 0 HA MET A 72 -16.820 7.478 11.067 1.00 0.69 H new ATOM 0 HB2 MET A 72 -14.590 8.908 9.551 1.00 0.83 H new ATOM 0 HB3 MET A 72 -16.053 9.680 10.128 1.00 0.83 H new ATOM 0 HG2 MET A 72 -15.425 9.122 12.464 1.00 1.02 H new ATOM 0 HG3 MET A 72 -13.959 8.357 11.885 1.00 1.02 H new ATOM 0 HE1 MET A 72 -14.921 12.864 11.811 1.00 2.38 H new ATOM 0 HE2 MET A 72 -15.447 11.908 10.404 1.00 2.38 H new ATOM 0 HE3 MET A 72 -16.065 11.517 12.027 1.00 2.38 H new ATOM 1220 N LEU A 73 -16.852 6.231 8.367 1.00 0.56 N ATOM 1221 CA LEU A 73 -17.414 6.066 7.030 1.00 0.54 C ATOM 1222 C LEU A 73 -18.918 6.018 7.079 1.00 0.50 C ATOM 1223 O LEU A 73 -19.520 5.486 8.013 1.00 0.60 O ATOM 1224 CB LEU A 73 -16.909 4.807 6.316 1.00 0.71 C ATOM 1225 CG LEU A 73 -15.581 4.222 6.795 1.00 0.43 C ATOM 1226 CD1 LEU A 73 -15.190 3.058 5.908 1.00 0.88 C ATOM 1227 CD2 LEU A 73 -14.481 5.266 6.800 1.00 0.88 C ATOM 0 H LEU A 73 -16.525 5.371 8.806 1.00 0.56 H new ATOM 0 HA LEU A 73 -17.080 6.935 6.463 1.00 0.54 H new ATOM 0 HB2 LEU A 73 -17.673 4.035 6.410 1.00 0.71 H new ATOM 0 HB3 LEU A 73 -16.815 5.035 5.254 1.00 0.71 H new ATOM 0 HG LEU A 73 -15.712 3.875 7.820 1.00 0.43 H new ATOM 0 HD11 LEU A 73 -14.243 2.642 6.251 1.00 0.88 H new ATOM 0 HD12 LEU A 73 -15.962 2.290 5.954 1.00 0.88 H new ATOM 0 HD13 LEU A 73 -15.084 3.404 4.880 1.00 0.88 H new ATOM 0 HD21 LEU A 73 -13.552 4.814 7.146 1.00 0.88 H new ATOM 0 HD22 LEU A 73 -14.342 5.653 5.791 1.00 0.88 H new ATOM 0 HD23 LEU A 73 -14.757 6.083 7.467 1.00 0.88 H new ATOM 1239 N ARG A 74 -19.503 6.589 6.056 1.00 0.48 N ATOM 1240 CA ARG A 74 -20.932 6.607 5.887 1.00 0.52 C ATOM 1241 C ARG A 74 -21.273 6.848 4.426 1.00 0.46 C ATOM 1242 O ARG A 74 -20.395 6.853 3.563 1.00 0.45 O ATOM 1243 CB ARG A 74 -21.581 7.665 6.800 1.00 0.65 C ATOM 1244 CG ARG A 74 -20.873 9.019 6.830 1.00 1.17 C ATOM 1245 CD ARG A 74 -21.118 9.834 5.569 1.00 1.64 C ATOM 1246 NE ARG A 74 -19.866 10.210 4.915 1.00 2.05 N ATOM 1247 CZ ARG A 74 -19.723 11.256 4.100 1.00 2.72 C ATOM 1248 NH1 ARG A 74 -20.767 12.017 3.795 1.00 2.96 N ATOM 1249 NH2 ARG A 74 -18.531 11.528 3.576 1.00 3.29 N ATOM 0 H ARG A 74 -18.993 7.060 5.309 1.00 0.48 H new ATOM 0 HA ARG A 74 -21.336 5.638 6.180 1.00 0.52 H new ATOM 0 HB2 ARG A 74 -22.611 7.818 6.477 1.00 0.65 H new ATOM 0 HB3 ARG A 74 -21.621 7.271 7.815 1.00 0.65 H new ATOM 0 HG2 ARG A 74 -21.215 9.585 7.696 1.00 1.17 H new ATOM 0 HG3 ARG A 74 -19.802 8.862 6.955 1.00 1.17 H new ATOM 0 HD2 ARG A 74 -21.731 9.257 4.877 1.00 1.64 H new ATOM 0 HD3 ARG A 74 -21.681 10.733 5.821 1.00 1.64 H new ATOM 0 HE ARG A 74 -19.045 9.632 5.094 1.00 2.05 H new ATOM 0 HH11 ARG A 74 -21.685 11.803 4.185 1.00 2.96 H new ATOM 0 HH12 ARG A 74 -20.651 12.816 3.171 1.00 2.96 H new ATOM 0 HH21 ARG A 74 -17.730 10.937 3.798 1.00 3.29 H new ATOM 0 HH22 ARG A 74 -18.418 12.327 2.952 1.00 3.29 H new ATOM 1263 N ASN A 75 -22.547 7.034 4.167 1.00 0.49 N ATOM 1264 CA ASN A 75 -23.040 7.282 2.817 1.00 0.47 C ATOM 1265 C ASN A 75 -22.431 8.553 2.233 1.00 0.48 C ATOM 1266 O ASN A 75 -22.814 9.663 2.606 1.00 0.56 O ATOM 1267 CB ASN A 75 -24.568 7.385 2.819 1.00 0.52 C ATOM 1268 CG ASN A 75 -25.241 6.027 2.792 1.00 0.52 C ATOM 1269 OD1 ASN A 75 -25.596 5.524 1.735 1.00 0.72 O ATOM 1270 ND2 ASN A 75 -25.412 5.414 3.948 1.00 0.51 N ATOM 0 H ASN A 75 -23.276 7.019 4.880 1.00 0.49 H new ATOM 0 HA ASN A 75 -22.740 6.442 2.191 1.00 0.47 H new ATOM 0 HB2 ASN A 75 -24.891 7.930 3.706 1.00 0.52 H new ATOM 0 HB3 ASN A 75 -24.891 7.964 1.954 1.00 0.52 H new ATOM 0 HD21 ASN A 75 -25.851 4.494 3.977 1.00 0.51 H new ATOM 0 HD22 ASN A 75 -25.105 5.860 4.812 1.00 0.51 H new ATOM 1277 N GLY A 76 -21.466 8.384 1.339 1.00 0.45 N ATOM 1278 CA GLY A 76 -20.855 9.527 0.692 1.00 0.51 C ATOM 1279 C GLY A 76 -19.339 9.488 0.715 1.00 0.47 C ATOM 1280 O GLY A 76 -18.691 10.240 -0.014 1.00 0.55 O ATOM 0 H GLY A 76 -21.096 7.478 1.051 1.00 0.45 H new ATOM 0 HA2 GLY A 76 -21.195 9.575 -0.343 1.00 0.51 H new ATOM 0 HA3 GLY A 76 -21.196 10.439 1.182 1.00 0.51 H new ATOM 1284 N ASP A 77 -18.763 8.624 1.545 1.00 0.42 N ATOM 1285 CA ASP A 77 -17.307 8.545 1.649 1.00 0.42 C ATOM 1286 C ASP A 77 -16.707 7.788 0.479 1.00 0.38 C ATOM 1287 O ASP A 77 -17.232 6.758 0.050 1.00 0.40 O ATOM 1288 CB ASP A 77 -16.873 7.880 2.957 1.00 0.44 C ATOM 1289 CG ASP A 77 -17.107 8.766 4.157 1.00 0.74 C ATOM 1290 OD1 ASP A 77 -16.460 9.818 4.260 1.00 1.05 O ATOM 1291 OD2 ASP A 77 -17.939 8.410 5.015 1.00 1.00 O ATOM 0 H ASP A 77 -19.271 7.977 2.148 1.00 0.42 H new ATOM 0 HA ASP A 77 -16.938 9.570 1.634 1.00 0.42 H new ATOM 0 HB2 ASP A 77 -17.420 6.946 3.086 1.00 0.44 H new ATOM 0 HB3 ASP A 77 -15.815 7.624 2.898 1.00 0.44 H new ATOM 1296 N THR A 78 -15.615 8.317 -0.049 1.00 0.36 N ATOM 1297 CA THR A 78 -14.868 7.639 -1.086 1.00 0.35 C ATOM 1298 C THR A 78 -13.905 6.634 -0.467 1.00 0.31 C ATOM 1299 O THR A 78 -13.064 6.989 0.365 1.00 0.34 O ATOM 1300 CB THR A 78 -14.074 8.640 -1.950 1.00 0.42 C ATOM 1301 OG1 THR A 78 -14.965 9.605 -2.527 1.00 0.50 O ATOM 1302 CG2 THR A 78 -13.308 7.925 -3.057 1.00 0.42 C ATOM 0 H THR A 78 -15.228 9.219 0.228 1.00 0.36 H new ATOM 0 HA THR A 78 -15.583 7.120 -1.724 1.00 0.35 H new ATOM 0 HB THR A 78 -13.355 9.145 -1.305 1.00 0.42 H new ATOM 0 HG1 THR A 78 -14.453 10.238 -3.073 1.00 0.50 H new ATOM 0 HG21 THR A 78 -12.758 8.656 -3.650 1.00 0.42 H new ATOM 0 HG22 THR A 78 -12.608 7.215 -2.615 1.00 0.42 H new ATOM 0 HG23 THR A 78 -14.009 7.392 -3.699 1.00 0.42 H new ATOM 1310 N MET A 79 -14.022 5.387 -0.878 1.00 0.27 N ATOM 1311 CA MET A 79 -13.130 4.353 -0.410 1.00 0.27 C ATOM 1312 C MET A 79 -12.411 3.763 -1.608 1.00 0.28 C ATOM 1313 O MET A 79 -13.020 3.114 -2.458 1.00 0.27 O ATOM 1314 CB MET A 79 -13.896 3.267 0.348 1.00 0.23 C ATOM 1315 CG MET A 79 -12.993 2.352 1.158 1.00 0.27 C ATOM 1316 SD MET A 79 -13.901 1.073 2.044 1.00 0.65 S ATOM 1317 CE MET A 79 -14.419 0.030 0.689 1.00 0.24 C ATOM 0 H MET A 79 -14.731 5.067 -1.538 1.00 0.27 H new ATOM 0 HA MET A 79 -12.407 4.782 0.284 1.00 0.27 H new ATOM 0 HB2 MET A 79 -14.617 3.739 1.015 1.00 0.23 H new ATOM 0 HB3 MET A 79 -14.465 2.668 -0.364 1.00 0.23 H new ATOM 0 HG2 MET A 79 -12.270 1.881 0.492 1.00 0.27 H new ATOM 0 HG3 MET A 79 -12.427 2.949 1.873 1.00 0.27 H new ATOM 0 HE1 MET A 79 -14.363 -1.015 0.993 1.00 0.24 H new ATOM 0 HE2 MET A 79 -15.445 0.274 0.414 1.00 0.24 H new ATOM 0 HE3 MET A 79 -13.765 0.194 -0.167 1.00 0.24 H new ATOM 1327 N GLU A 80 -11.123 4.012 -1.679 1.00 0.32 N ATOM 1328 CA GLU A 80 -10.328 3.609 -2.818 1.00 0.35 C ATOM 1329 C GLU A 80 -10.025 2.122 -2.715 1.00 0.33 C ATOM 1330 O GLU A 80 -9.469 1.668 -1.712 1.00 0.33 O ATOM 1331 CB GLU A 80 -9.031 4.431 -2.810 1.00 0.40 C ATOM 1332 CG GLU A 80 -8.263 4.447 -4.117 1.00 0.53 C ATOM 1333 CD GLU A 80 -7.191 5.520 -4.129 1.00 0.69 C ATOM 1334 OE1 GLU A 80 -6.101 5.294 -3.563 1.00 1.04 O ATOM 1335 OE2 GLU A 80 -7.433 6.602 -4.696 1.00 1.04 O ATOM 0 H GLU A 80 -10.598 4.498 -0.952 1.00 0.32 H new ATOM 0 HA GLU A 80 -10.864 3.786 -3.751 1.00 0.35 H new ATOM 0 HB2 GLU A 80 -9.274 5.458 -2.538 1.00 0.40 H new ATOM 0 HB3 GLU A 80 -8.378 4.040 -2.029 1.00 0.40 H new ATOM 0 HG2 GLU A 80 -7.803 3.472 -4.280 1.00 0.53 H new ATOM 0 HG3 GLU A 80 -8.955 4.615 -4.943 1.00 0.53 H new ATOM 1342 N TYR A 81 -10.378 1.353 -3.734 1.00 0.33 N ATOM 1343 CA TYR A 81 -10.020 -0.047 -3.763 1.00 0.33 C ATOM 1344 C TYR A 81 -8.808 -0.195 -4.642 1.00 0.36 C ATOM 1345 O TYR A 81 -8.896 -0.133 -5.868 1.00 0.39 O ATOM 1346 CB TYR A 81 -11.167 -0.916 -4.282 1.00 0.33 C ATOM 1347 CG TYR A 81 -10.903 -2.404 -4.168 1.00 0.33 C ATOM 1348 CD1 TYR A 81 -11.145 -3.088 -2.984 1.00 0.34 C ATOM 1349 CD2 TYR A 81 -10.407 -3.123 -5.246 1.00 0.37 C ATOM 1350 CE1 TYR A 81 -10.899 -4.446 -2.881 1.00 0.36 C ATOM 1351 CE2 TYR A 81 -10.158 -4.479 -5.149 1.00 0.39 C ATOM 1352 CZ TYR A 81 -10.432 -5.138 -3.948 1.00 0.38 C ATOM 1353 OH TYR A 81 -10.149 -6.485 -3.865 1.00 0.42 O ATOM 0 H TYR A 81 -10.908 1.676 -4.543 1.00 0.33 H new ATOM 0 HA TYR A 81 -9.805 -0.386 -2.750 1.00 0.33 H new ATOM 0 HB2 TYR A 81 -12.074 -0.673 -3.729 1.00 0.33 H new ATOM 0 HB3 TYR A 81 -11.355 -0.668 -5.327 1.00 0.33 H new ATOM 0 HD1 TYR A 81 -11.531 -2.552 -2.130 1.00 0.34 H new ATOM 0 HD2 TYR A 81 -10.212 -2.614 -6.178 1.00 0.37 H new ATOM 0 HE1 TYR A 81 -11.080 -4.956 -1.946 1.00 0.36 H new ATOM 0 HE2 TYR A 81 -9.756 -5.023 -5.991 1.00 0.39 H new ATOM 0 HH TYR A 81 -9.826 -6.805 -4.733 1.00 0.42 H new ATOM 1363 N ARG A 82 -7.678 -0.350 -4.006 1.00 0.37 N ATOM 1364 CA ARG A 82 -6.421 -0.325 -4.712 1.00 0.39 C ATOM 1365 C ARG A 82 -5.535 -1.468 -4.276 1.00 0.40 C ATOM 1366 O ARG A 82 -5.738 -2.062 -3.213 1.00 0.42 O ATOM 1367 CB ARG A 82 -5.714 1.016 -4.496 1.00 0.42 C ATOM 1368 CG ARG A 82 -5.564 1.397 -3.035 1.00 0.44 C ATOM 1369 CD ARG A 82 -4.829 2.715 -2.872 1.00 0.56 C ATOM 1370 NE ARG A 82 -3.469 2.674 -3.407 1.00 0.65 N ATOM 1371 CZ ARG A 82 -2.851 3.739 -3.917 1.00 0.88 C ATOM 1372 NH1 ARG A 82 -3.502 4.894 -4.033 1.00 1.08 N ATOM 1373 NH2 ARG A 82 -1.593 3.646 -4.332 1.00 1.03 N ATOM 0 H ARG A 82 -7.600 -0.495 -2.999 1.00 0.37 H new ATOM 0 HA ARG A 82 -6.625 -0.443 -5.776 1.00 0.39 H new ATOM 0 HB2 ARG A 82 -4.726 0.974 -4.955 1.00 0.42 H new ATOM 0 HB3 ARG A 82 -6.272 1.798 -5.011 1.00 0.42 H new ATOM 0 HG2 ARG A 82 -6.549 1.470 -2.575 1.00 0.44 H new ATOM 0 HG3 ARG A 82 -5.024 0.611 -2.507 1.00 0.44 H new ATOM 0 HD2 ARG A 82 -5.389 3.503 -3.375 1.00 0.56 H new ATOM 0 HD3 ARG A 82 -4.791 2.976 -1.815 1.00 0.56 H new ATOM 0 HE ARG A 82 -2.968 1.786 -3.389 1.00 0.65 H new ATOM 0 HH11 ARG A 82 -4.474 4.964 -3.732 1.00 1.08 H new ATOM 0 HH12 ARG A 82 -3.029 5.709 -4.423 1.00 1.08 H new ATOM 0 HH21 ARG A 82 -1.097 2.758 -4.261 1.00 1.03 H new ATOM 0 HH22 ARG A 82 -1.123 4.463 -4.722 1.00 1.03 H new ATOM 1387 N LYS A 83 -4.564 -1.775 -5.109 1.00 0.43 N ATOM 1388 CA LYS A 83 -3.570 -2.773 -4.796 1.00 0.45 C ATOM 1389 C LYS A 83 -2.852 -2.371 -3.512 1.00 0.42 C ATOM 1390 O LYS A 83 -2.361 -1.246 -3.400 1.00 0.42 O ATOM 1391 CB LYS A 83 -2.590 -2.888 -5.970 1.00 0.53 C ATOM 1392 CG LYS A 83 -1.671 -4.100 -5.933 1.00 0.60 C ATOM 1393 CD LYS A 83 -0.848 -4.181 -7.209 1.00 0.70 C ATOM 1394 CE LYS A 83 0.071 -5.392 -7.234 1.00 1.25 C ATOM 1395 NZ LYS A 83 -0.634 -6.637 -7.637 1.00 1.74 N ATOM 0 H LYS A 83 -4.443 -1.338 -6.023 1.00 0.43 H new ATOM 0 HA LYS A 83 -4.035 -3.746 -4.641 1.00 0.45 H new ATOM 0 HB2 LYS A 83 -3.162 -2.914 -6.898 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -1.976 -1.988 -5.999 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.009 -4.036 -5.069 1.00 0.60 H new ATOM 0 HG3 LYS A 83 -2.262 -5.009 -5.815 1.00 0.60 H new ATOM 0 HD2 LYS A 83 -1.518 -4.220 -8.068 1.00 0.70 H new ATOM 0 HD3 LYS A 83 -0.252 -3.274 -7.311 1.00 0.70 H new ATOM 0 HE2 LYS A 83 0.893 -5.205 -7.924 1.00 1.25 H new ATOM 0 HE3 LYS A 83 0.510 -5.531 -6.246 1.00 1.25 H new ATOM 0 HZ1 LYS A 83 0.019 -7.251 -8.164 1.00 1.74 H new ATOM 0 HZ2 LYS A 83 -0.969 -7.136 -6.789 1.00 1.74 H new ATOM 0 HZ3 LYS A 83 -1.446 -6.396 -8.241 1.00 1.74 H new ATOM 1409 N LYS A 84 -2.843 -3.279 -2.537 1.00 0.44 N ATOM 1410 CA LYS A 84 -2.150 -3.065 -1.270 1.00 0.46 C ATOM 1411 C LYS A 84 -0.737 -2.592 -1.530 1.00 0.46 C ATOM 1412 O LYS A 84 -0.217 -1.706 -0.860 1.00 0.52 O ATOM 1413 CB LYS A 84 -2.095 -4.369 -0.466 1.00 0.54 C ATOM 1414 CG LYS A 84 -3.352 -4.686 0.326 1.00 0.55 C ATOM 1415 CD LYS A 84 -3.543 -3.710 1.475 1.00 0.66 C ATOM 1416 CE LYS A 84 -4.514 -4.247 2.513 1.00 0.67 C ATOM 1417 NZ LYS A 84 -3.978 -5.448 3.209 1.00 1.32 N ATOM 0 H LYS A 84 -3.315 -4.181 -2.604 1.00 0.44 H new ATOM 0 HA LYS A 84 -2.696 -2.311 -0.703 1.00 0.46 H new ATOM 0 HB2 LYS A 84 -1.898 -5.193 -1.151 1.00 0.54 H new ATOM 0 HB3 LYS A 84 -1.252 -4.319 0.223 1.00 0.54 H new ATOM 0 HG2 LYS A 84 -4.219 -4.648 -0.334 1.00 0.55 H new ATOM 0 HG3 LYS A 84 -3.292 -5.702 0.716 1.00 0.55 H new ATOM 0 HD2 LYS A 84 -2.581 -3.510 1.946 1.00 0.66 H new ATOM 0 HD3 LYS A 84 -3.912 -2.760 1.088 1.00 0.66 H new ATOM 0 HE2 LYS A 84 -4.728 -3.469 3.246 1.00 0.67 H new ATOM 0 HE3 LYS A 84 -5.458 -4.499 2.030 1.00 0.67 H new ATOM 0 HZ1 LYS A 84 -4.459 -5.562 4.124 1.00 1.32 H new ATOM 0 HZ2 LYS A 84 -4.143 -6.291 2.623 1.00 1.32 H new ATOM 0 HZ3 LYS A 84 -2.957 -5.331 3.367 1.00 1.32 H new ATOM 1431 N GLN A 85 -0.138 -3.180 -2.544 1.00 0.44 N ATOM 1432 CA GLN A 85 1.226 -2.900 -2.910 1.00 0.47 C ATOM 1433 C GLN A 85 1.265 -1.815 -3.973 1.00 0.52 C ATOM 1434 O GLN A 85 0.340 -1.683 -4.772 1.00 0.83 O ATOM 1435 CB GLN A 85 1.888 -4.171 -3.449 1.00 0.53 C ATOM 1436 CG GLN A 85 1.088 -5.439 -3.197 1.00 0.50 C ATOM 1437 CD GLN A 85 1.838 -6.694 -3.588 1.00 0.64 C ATOM 1438 OE1 GLN A 85 1.784 -7.129 -4.737 1.00 1.10 O ATOM 1439 NE2 GLN A 85 2.529 -7.297 -2.633 1.00 0.72 N ATOM 0 H GLN A 85 -0.592 -3.872 -3.140 1.00 0.44 H new ATOM 0 HA GLN A 85 1.767 -2.557 -2.028 1.00 0.47 H new ATOM 0 HB2 GLN A 85 2.045 -4.060 -4.522 1.00 0.53 H new ATOM 0 HB3 GLN A 85 2.872 -4.278 -2.992 1.00 0.53 H new ATOM 0 HG2 GLN A 85 0.825 -5.493 -2.141 1.00 0.50 H new ATOM 0 HG3 GLN A 85 0.154 -5.391 -3.756 1.00 0.50 H new ATOM 0 HE21 GLN A 85 2.549 -6.904 -1.692 1.00 0.72 H new ATOM 0 HE22 GLN A 85 3.042 -8.155 -2.838 1.00 0.72 H new ATOM 1448 N ARG A 86 2.334 -1.045 -3.982 1.00 0.50 N ATOM 1449 CA ARG A 86 2.516 -0.016 -4.991 1.00 0.52 C ATOM 1450 C ARG A 86 3.938 -0.057 -5.548 1.00 0.50 C ATOM 1451 O ARG A 86 4.855 -0.532 -4.874 1.00 0.53 O ATOM 1452 CB ARG A 86 2.135 1.365 -4.443 1.00 0.67 C ATOM 1453 CG ARG A 86 2.421 1.581 -2.967 1.00 0.85 C ATOM 1454 CD ARG A 86 3.854 2.003 -2.718 1.00 0.98 C ATOM 1455 NE ARG A 86 3.957 2.790 -1.493 1.00 1.13 N ATOM 1456 CZ ARG A 86 4.590 3.955 -1.410 1.00 1.24 C ATOM 1457 NH1 ARG A 86 5.298 4.401 -2.440 1.00 1.62 N ATOM 1458 NH2 ARG A 86 4.514 4.665 -0.294 1.00 1.85 N ATOM 0 H ARG A 86 3.092 -1.111 -3.302 1.00 0.50 H new ATOM 0 HA ARG A 86 1.841 -0.216 -5.823 1.00 0.52 H new ATOM 0 HB2 ARG A 86 2.669 2.124 -5.014 1.00 0.67 H new ATOM 0 HB3 ARG A 86 1.071 1.525 -4.617 1.00 0.67 H new ATOM 0 HG2 ARG A 86 1.746 2.343 -2.576 1.00 0.85 H new ATOM 0 HG3 ARG A 86 2.215 0.661 -2.420 1.00 0.85 H new ATOM 0 HD2 ARG A 86 4.490 1.121 -2.643 1.00 0.98 H new ATOM 0 HD3 ARG A 86 4.218 2.588 -3.563 1.00 0.98 H new ATOM 0 HE ARG A 86 3.516 2.423 -0.649 1.00 1.13 H new ATOM 0 HH11 ARG A 86 5.356 3.849 -3.296 1.00 1.62 H new ATOM 0 HH12 ARG A 86 5.784 5.296 -2.376 1.00 1.62 H new ATOM 0 HH21 ARG A 86 3.971 4.316 0.496 1.00 1.85 H new ATOM 0 HH22 ARG A 86 4.998 5.560 -0.225 1.00 1.85 H new ATOM 1472 N PRO A 87 4.128 0.427 -6.792 1.00 0.52 N ATOM 1473 CA PRO A 87 5.375 0.232 -7.544 1.00 0.52 C ATOM 1474 C PRO A 87 6.583 0.926 -6.923 1.00 0.53 C ATOM 1475 O PRO A 87 6.686 2.156 -6.918 1.00 0.62 O ATOM 1476 CB PRO A 87 5.070 0.832 -8.920 1.00 0.57 C ATOM 1477 CG PRO A 87 3.956 1.790 -8.684 1.00 0.86 C ATOM 1478 CD PRO A 87 3.141 1.202 -7.568 1.00 0.60 C ATOM 0 HA PRO A 87 5.650 -0.822 -7.566 1.00 0.52 H new ATOM 0 HB2 PRO A 87 5.944 1.336 -9.333 1.00 0.57 H new ATOM 0 HB3 PRO A 87 4.782 0.059 -9.632 1.00 0.57 H new ATOM 0 HG2 PRO A 87 4.338 2.774 -8.413 1.00 0.86 H new ATOM 0 HG3 PRO A 87 3.353 1.918 -9.583 1.00 0.86 H new ATOM 0 HD2 PRO A 87 2.673 1.977 -6.961 1.00 0.60 H new ATOM 0 HD3 PRO A 87 2.340 0.567 -7.947 1.00 0.60 H new ATOM 1486 N LEU A 88 7.480 0.125 -6.375 1.00 0.50 N ATOM 1487 CA LEU A 88 8.742 0.630 -5.876 1.00 0.53 C ATOM 1488 C LEU A 88 9.867 0.279 -6.836 1.00 0.44 C ATOM 1489 O LEU A 88 10.041 -0.887 -7.195 1.00 0.42 O ATOM 1490 CB LEU A 88 9.045 0.114 -4.479 1.00 0.63 C ATOM 1491 CG LEU A 88 8.696 1.098 -3.366 1.00 0.88 C ATOM 1492 CD1 LEU A 88 7.305 0.838 -2.811 1.00 1.19 C ATOM 1493 CD2 LEU A 88 9.748 1.042 -2.279 1.00 1.51 C ATOM 0 H LEU A 88 7.355 -0.881 -6.265 1.00 0.50 H new ATOM 0 HA LEU A 88 8.662 1.715 -5.809 1.00 0.53 H new ATOM 0 HB2 LEU A 88 8.494 -0.812 -4.317 1.00 0.63 H new ATOM 0 HB3 LEU A 88 10.105 -0.131 -4.415 1.00 0.63 H new ATOM 0 HG LEU A 88 8.686 2.105 -3.784 1.00 0.88 H new ATOM 0 HD11 LEU A 88 7.089 1.556 -2.020 1.00 1.19 H new ATOM 0 HD12 LEU A 88 6.569 0.944 -3.608 1.00 1.19 H new ATOM 0 HD13 LEU A 88 7.258 -0.173 -2.406 1.00 1.19 H new ATOM 0 HD21 LEU A 88 9.492 1.747 -1.488 1.00 1.51 H new ATOM 0 HD22 LEU A 88 9.792 0.034 -1.866 1.00 1.51 H new ATOM 0 HD23 LEU A 88 10.719 1.304 -2.699 1.00 1.51 H new ATOM 1505 N LYS A 89 10.623 1.279 -7.252 1.00 0.44 N ATOM 1506 CA LYS A 89 11.775 1.045 -8.109 1.00 0.42 C ATOM 1507 C LYS A 89 13.013 0.892 -7.249 1.00 0.39 C ATOM 1508 O LYS A 89 13.410 1.820 -6.555 1.00 0.42 O ATOM 1509 CB LYS A 89 11.962 2.175 -9.129 1.00 0.51 C ATOM 1510 CG LYS A 89 11.076 2.039 -10.363 1.00 0.69 C ATOM 1511 CD LYS A 89 9.602 2.228 -10.036 1.00 0.93 C ATOM 1512 CE LYS A 89 9.279 3.680 -9.729 1.00 1.49 C ATOM 1513 NZ LYS A 89 9.497 4.552 -10.912 1.00 2.11 N ATOM 0 H LYS A 89 10.463 2.257 -7.013 1.00 0.44 H new ATOM 0 HA LYS A 89 11.606 0.129 -8.675 1.00 0.42 H new ATOM 0 HB2 LYS A 89 11.751 3.128 -8.645 1.00 0.51 H new ATOM 0 HB3 LYS A 89 13.006 2.200 -9.443 1.00 0.51 H new ATOM 0 HG2 LYS A 89 11.378 2.775 -11.108 1.00 0.69 H new ATOM 0 HG3 LYS A 89 11.224 1.055 -10.808 1.00 0.69 H new ATOM 0 HD2 LYS A 89 8.996 1.890 -10.877 1.00 0.93 H new ATOM 0 HD3 LYS A 89 9.336 1.607 -9.181 1.00 0.93 H new ATOM 0 HE2 LYS A 89 8.242 3.761 -9.403 1.00 1.49 H new ATOM 0 HE3 LYS A 89 9.901 4.025 -8.903 1.00 1.49 H new ATOM 0 HZ1 LYS A 89 9.267 5.536 -10.665 1.00 2.11 H new ATOM 0 HZ2 LYS A 89 10.492 4.493 -11.208 1.00 2.11 H new ATOM 0 HZ3 LYS A 89 8.885 4.238 -11.692 1.00 2.11 H new ATOM 1527 N ILE A 90 13.630 -0.271 -7.319 1.00 0.36 N ATOM 1528 CA ILE A 90 14.686 -0.632 -6.391 1.00 0.33 C ATOM 1529 C ILE A 90 15.947 -0.999 -7.153 1.00 0.35 C ATOM 1530 O ILE A 90 15.893 -1.788 -8.093 1.00 0.36 O ATOM 1531 CB ILE A 90 14.268 -1.833 -5.509 1.00 0.32 C ATOM 1532 CG1 ILE A 90 12.936 -1.558 -4.799 1.00 0.35 C ATOM 1533 CG2 ILE A 90 15.354 -2.160 -4.494 1.00 0.33 C ATOM 1534 CD1 ILE A 90 12.988 -0.400 -3.824 1.00 0.36 C ATOM 0 H ILE A 90 13.417 -0.987 -8.013 1.00 0.36 H new ATOM 0 HA ILE A 90 14.873 0.230 -5.751 1.00 0.33 H new ATOM 0 HB ILE A 90 14.133 -2.696 -6.161 1.00 0.32 H new ATOM 0 HG12 ILE A 90 12.171 -1.355 -5.549 1.00 0.35 H new ATOM 0 HG13 ILE A 90 12.628 -2.457 -4.265 1.00 0.35 H new ATOM 0 HG21 ILE A 90 15.039 -3.007 -3.885 1.00 0.33 H new ATOM 0 HG22 ILE A 90 16.277 -2.412 -5.017 1.00 0.33 H new ATOM 0 HG23 ILE A 90 15.525 -1.295 -3.853 1.00 0.33 H new ATOM 0 HD11 ILE A 90 12.009 -0.268 -3.363 1.00 0.36 H new ATOM 0 HD12 ILE A 90 13.728 -0.608 -3.051 1.00 0.36 H new ATOM 0 HD13 ILE A 90 13.264 0.511 -4.355 1.00 0.36 H new ATOM 1546 N ARG A 91 17.077 -0.433 -6.759 1.00 0.38 N ATOM 1547 CA ARG A 91 18.349 -0.784 -7.365 1.00 0.43 C ATOM 1548 C ARG A 91 19.153 -1.629 -6.383 1.00 0.42 C ATOM 1549 O ARG A 91 19.420 -1.204 -5.260 1.00 0.44 O ATOM 1550 CB ARG A 91 19.137 0.471 -7.750 1.00 0.52 C ATOM 1551 CG ARG A 91 20.352 0.188 -8.620 1.00 0.57 C ATOM 1552 CD ARG A 91 21.083 1.471 -8.993 1.00 0.74 C ATOM 1553 NE ARG A 91 20.266 2.350 -9.829 1.00 0.72 N ATOM 1554 CZ ARG A 91 20.123 3.661 -9.621 1.00 1.09 C ATOM 1555 NH1 ARG A 91 20.796 4.261 -8.646 1.00 1.82 N ATOM 1556 NH2 ARG A 91 19.336 4.379 -10.410 1.00 1.12 N ATOM 0 H ARG A 91 17.138 0.271 -6.023 1.00 0.38 H new ATOM 0 HA ARG A 91 18.162 -1.354 -8.275 1.00 0.43 H new ATOM 0 HB2 ARG A 91 18.475 1.157 -8.278 1.00 0.52 H new ATOM 0 HB3 ARG A 91 19.462 0.978 -6.841 1.00 0.52 H new ATOM 0 HG2 ARG A 91 21.032 -0.479 -8.090 1.00 0.57 H new ATOM 0 HG3 ARG A 91 20.039 -0.330 -9.526 1.00 0.57 H new ATOM 0 HD2 ARG A 91 21.370 2.001 -8.085 1.00 0.74 H new ATOM 0 HD3 ARG A 91 22.003 1.222 -9.522 1.00 0.74 H new ATOM 0 HE ARG A 91 19.775 1.935 -10.621 1.00 0.72 H new ATOM 0 HH11 ARG A 91 21.425 3.720 -8.053 1.00 1.82 H new ATOM 0 HH12 ARG A 91 20.684 5.263 -8.490 1.00 1.82 H new ATOM 0 HH21 ARG A 91 18.838 3.930 -11.178 1.00 1.12 H new ATOM 0 HH22 ARG A 91 19.229 5.380 -10.249 1.00 1.12 H new ATOM 1570 N MET A 92 19.517 -2.825 -6.813 1.00 0.42 N ATOM 1571 CA MET A 92 20.231 -3.774 -5.974 1.00 0.44 C ATOM 1572 C MET A 92 21.723 -3.482 -5.967 1.00 0.48 C ATOM 1573 O MET A 92 22.194 -2.642 -6.735 1.00 0.51 O ATOM 1574 CB MET A 92 19.976 -5.195 -6.483 1.00 0.46 C ATOM 1575 CG MET A 92 18.863 -5.932 -5.753 1.00 0.57 C ATOM 1576 SD MET A 92 17.457 -4.888 -5.333 1.00 1.04 S ATOM 1577 CE MET A 92 16.758 -4.608 -6.953 1.00 0.34 C ATOM 0 H MET A 92 19.326 -3.166 -7.755 1.00 0.42 H new ATOM 0 HA MET A 92 19.865 -3.680 -4.952 1.00 0.44 H new ATOM 0 HB2 MET A 92 19.731 -5.150 -7.544 1.00 0.46 H new ATOM 0 HB3 MET A 92 20.897 -5.771 -6.393 1.00 0.46 H new ATOM 0 HG2 MET A 92 18.518 -6.758 -6.375 1.00 0.57 H new ATOM 0 HG3 MET A 92 19.266 -6.368 -4.839 1.00 0.57 H new ATOM 0 HE1 MET A 92 15.818 -4.066 -6.855 1.00 0.34 H new ATOM 0 HE2 MET A 92 17.454 -4.022 -7.553 1.00 0.34 H new ATOM 0 HE3 MET A 92 16.575 -5.565 -7.441 1.00 0.34 H new ATOM 1587 N LEU A 93 22.452 -4.218 -5.128 1.00 0.49 N ATOM 1588 CA LEU A 93 23.873 -3.967 -4.869 1.00 0.55 C ATOM 1589 C LEU A 93 24.680 -3.951 -6.163 1.00 0.61 C ATOM 1590 O LEU A 93 25.533 -3.087 -6.367 1.00 0.69 O ATOM 1591 CB LEU A 93 24.467 -5.030 -3.926 1.00 0.57 C ATOM 1592 CG LEU A 93 23.800 -5.195 -2.549 1.00 0.57 C ATOM 1593 CD1 LEU A 93 23.405 -3.848 -1.962 1.00 0.68 C ATOM 1594 CD2 LEU A 93 22.601 -6.131 -2.623 1.00 0.79 C ATOM 0 H LEU A 93 22.074 -5.008 -4.606 1.00 0.49 H new ATOM 0 HA LEU A 93 23.936 -2.988 -4.394 1.00 0.55 H new ATOM 0 HB2 LEU A 93 24.432 -5.993 -4.436 1.00 0.57 H new ATOM 0 HB3 LEU A 93 25.519 -4.791 -3.766 1.00 0.57 H new ATOM 0 HG LEU A 93 24.534 -5.647 -1.882 1.00 0.57 H new ATOM 0 HD11 LEU A 93 22.936 -3.998 -0.989 1.00 0.68 H new ATOM 0 HD12 LEU A 93 24.293 -3.228 -1.845 1.00 0.68 H new ATOM 0 HD13 LEU A 93 22.702 -3.352 -2.631 1.00 0.68 H new ATOM 0 HD21 LEU A 93 22.152 -6.226 -1.634 1.00 0.79 H new ATOM 0 HD22 LEU A 93 21.865 -5.726 -3.318 1.00 0.79 H new ATOM 0 HD23 LEU A 93 22.926 -7.112 -2.970 1.00 0.79 H new ATOM 1606 N ASP A 94 24.399 -4.910 -7.038 1.00 0.61 N ATOM 1607 CA ASP A 94 25.115 -5.027 -8.308 1.00 0.69 C ATOM 1608 C ASP A 94 24.793 -3.848 -9.222 1.00 0.66 C ATOM 1609 O ASP A 94 25.497 -3.587 -10.196 1.00 0.70 O ATOM 1610 CB ASP A 94 24.757 -6.347 -8.999 1.00 0.76 C ATOM 1611 CG ASP A 94 25.468 -6.525 -10.327 1.00 1.47 C ATOM 1612 OD1 ASP A 94 26.677 -6.835 -10.329 1.00 2.26 O ATOM 1613 OD2 ASP A 94 24.823 -6.347 -11.377 1.00 1.93 O ATOM 0 H ASP A 94 23.680 -5.619 -6.893 1.00 0.61 H new ATOM 0 HA ASP A 94 26.185 -5.017 -8.100 1.00 0.69 H new ATOM 0 HB2 ASP A 94 25.012 -7.178 -8.341 1.00 0.76 H new ATOM 0 HB3 ASP A 94 23.680 -6.387 -9.160 1.00 0.76 H new ATOM 1618 N GLY A 95 23.741 -3.123 -8.878 1.00 0.61 N ATOM 1619 CA GLY A 95 23.319 -1.995 -9.675 1.00 0.61 C ATOM 1620 C GLY A 95 22.126 -2.345 -10.528 1.00 0.58 C ATOM 1621 O GLY A 95 21.757 -1.603 -11.439 1.00 0.64 O ATOM 0 H GLY A 95 23.168 -3.299 -8.053 1.00 0.61 H new ATOM 0 HA2 GLY A 95 23.070 -1.158 -9.022 1.00 0.61 H new ATOM 0 HA3 GLY A 95 24.141 -1.668 -10.312 1.00 0.61 H new ATOM 1625 N THR A 96 21.524 -3.484 -10.226 1.00 0.54 N ATOM 1626 CA THR A 96 20.385 -3.975 -10.983 1.00 0.54 C ATOM 1627 C THR A 96 19.102 -3.378 -10.437 1.00 0.47 C ATOM 1628 O THR A 96 18.831 -3.481 -9.247 1.00 0.47 O ATOM 1629 CB THR A 96 20.297 -5.512 -10.904 1.00 0.62 C ATOM 1630 OG1 THR A 96 21.561 -6.091 -11.258 1.00 0.81 O ATOM 1631 CG2 THR A 96 19.213 -6.045 -11.828 1.00 0.61 C ATOM 0 H THR A 96 21.808 -4.089 -9.456 1.00 0.54 H new ATOM 0 HA THR A 96 20.518 -3.679 -12.023 1.00 0.54 H new ATOM 0 HB THR A 96 20.042 -5.787 -9.880 1.00 0.62 H new ATOM 0 HG1 THR A 96 21.500 -7.068 -11.204 1.00 0.81 H new ATOM 0 HG21 THR A 96 19.173 -7.132 -11.753 1.00 0.61 H new ATOM 0 HG22 THR A 96 18.250 -5.625 -11.539 1.00 0.61 H new ATOM 0 HG23 THR A 96 19.439 -5.761 -12.856 1.00 0.61 H new ATOM 1639 N VAL A 97 18.313 -2.763 -11.292 1.00 0.45 N ATOM 1640 CA VAL A 97 17.090 -2.134 -10.839 1.00 0.41 C ATOM 1641 C VAL A 97 15.878 -2.977 -11.226 1.00 0.38 C ATOM 1642 O VAL A 97 15.810 -3.540 -12.323 1.00 0.41 O ATOM 1643 CB VAL A 97 16.951 -0.684 -11.372 1.00 0.50 C ATOM 1644 CG1 VAL A 97 16.927 -0.651 -12.888 1.00 1.07 C ATOM 1645 CG2 VAL A 97 15.714 -0.003 -10.801 1.00 1.11 C ATOM 0 H VAL A 97 18.493 -2.685 -12.293 1.00 0.45 H new ATOM 0 HA VAL A 97 17.137 -2.072 -9.752 1.00 0.41 H new ATOM 0 HB VAL A 97 17.828 -0.130 -11.038 1.00 0.50 H new ATOM 0 HG11 VAL A 97 16.829 0.380 -13.228 1.00 1.07 H new ATOM 0 HG12 VAL A 97 17.854 -1.074 -13.276 1.00 1.07 H new ATOM 0 HG13 VAL A 97 16.081 -1.235 -13.251 1.00 1.07 H new ATOM 0 HG21 VAL A 97 15.644 1.012 -11.193 1.00 1.11 H new ATOM 0 HG22 VAL A 97 14.825 -0.565 -11.087 1.00 1.11 H new ATOM 0 HG23 VAL A 97 15.787 0.032 -9.714 1.00 1.11 H new ATOM 1655 N LYS A 98 14.950 -3.092 -10.297 1.00 0.35 N ATOM 1656 CA LYS A 98 13.703 -3.791 -10.544 1.00 0.35 C ATOM 1657 C LYS A 98 12.557 -3.020 -9.915 1.00 0.36 C ATOM 1658 O LYS A 98 12.766 -2.220 -9.004 1.00 0.37 O ATOM 1659 CB LYS A 98 13.731 -5.222 -9.992 1.00 0.38 C ATOM 1660 CG LYS A 98 13.593 -5.312 -8.479 1.00 0.41 C ATOM 1661 CD LYS A 98 13.254 -6.726 -8.018 1.00 0.43 C ATOM 1662 CE LYS A 98 11.857 -7.143 -8.454 1.00 0.43 C ATOM 1663 NZ LYS A 98 11.829 -7.687 -9.840 1.00 0.94 N ATOM 0 H LYS A 98 15.037 -2.707 -9.356 1.00 0.35 H new ATOM 0 HA LYS A 98 13.563 -3.856 -11.623 1.00 0.35 H new ATOM 0 HB2 LYS A 98 12.925 -5.793 -10.453 1.00 0.38 H new ATOM 0 HB3 LYS A 98 14.667 -5.695 -10.289 1.00 0.38 H new ATOM 0 HG2 LYS A 98 14.524 -4.992 -8.011 1.00 0.41 H new ATOM 0 HG3 LYS A 98 12.815 -4.626 -8.145 1.00 0.41 H new ATOM 0 HD2 LYS A 98 13.985 -7.425 -8.423 1.00 0.43 H new ATOM 0 HD3 LYS A 98 13.328 -6.782 -6.932 1.00 0.43 H new ATOM 0 HE2 LYS A 98 11.474 -7.895 -7.764 1.00 0.43 H new ATOM 0 HE3 LYS A 98 11.189 -6.284 -8.391 1.00 0.43 H new ATOM 0 HZ1 LYS A 98 11.327 -7.023 -10.463 1.00 0.94 H new ATOM 0 HZ2 LYS A 98 12.803 -7.815 -10.183 1.00 0.94 H new ATOM 0 HZ3 LYS A 98 11.338 -8.604 -9.843 1.00 0.94 H new ATOM 1677 N THR A 99 11.359 -3.249 -10.402 1.00 0.40 N ATOM 1678 CA THR A 99 10.178 -2.679 -9.799 1.00 0.44 C ATOM 1679 C THR A 99 9.390 -3.781 -9.114 1.00 0.47 C ATOM 1680 O THR A 99 8.932 -4.720 -9.766 1.00 0.58 O ATOM 1681 CB THR A 99 9.290 -1.987 -10.850 1.00 0.48 C ATOM 1682 OG1 THR A 99 10.055 -1.009 -11.568 1.00 0.50 O ATOM 1683 CG2 THR A 99 8.091 -1.317 -10.193 1.00 0.57 C ATOM 0 H THR A 99 11.177 -3.830 -11.220 1.00 0.40 H new ATOM 0 HA THR A 99 10.488 -1.928 -9.073 1.00 0.44 H new ATOM 0 HB THR A 99 8.926 -2.746 -11.542 1.00 0.48 H new ATOM 0 HG1 THR A 99 9.485 -0.574 -12.236 1.00 0.50 H new ATOM 0 HG21 THR A 99 7.480 -0.836 -10.956 1.00 0.57 H new ATOM 0 HG22 THR A 99 7.496 -2.067 -9.671 1.00 0.57 H new ATOM 0 HG23 THR A 99 8.438 -0.569 -9.480 1.00 0.57 H new ATOM 1691 N ILE A 100 9.258 -3.695 -7.804 1.00 0.42 N ATOM 1692 CA ILE A 100 8.506 -4.679 -7.054 1.00 0.44 C ATOM 1693 C ILE A 100 7.310 -4.000 -6.418 1.00 0.45 C ATOM 1694 O ILE A 100 7.378 -2.831 -6.029 1.00 0.45 O ATOM 1695 CB ILE A 100 9.384 -5.375 -5.968 1.00 0.48 C ATOM 1696 CG1 ILE A 100 8.545 -6.004 -4.846 1.00 0.61 C ATOM 1697 CG2 ILE A 100 10.371 -4.402 -5.361 1.00 0.48 C ATOM 1698 CD1 ILE A 100 7.751 -7.220 -5.254 1.00 0.50 C ATOM 0 H ILE A 100 9.664 -2.951 -7.237 1.00 0.42 H new ATOM 0 HA ILE A 100 8.171 -5.459 -7.738 1.00 0.44 H new ATOM 0 HB ILE A 100 9.921 -6.174 -6.480 1.00 0.48 H new ATOM 0 HG12 ILE A 100 9.209 -6.279 -4.026 1.00 0.61 H new ATOM 0 HG13 ILE A 100 7.857 -5.251 -4.460 1.00 0.61 H new ATOM 0 HG21 ILE A 100 10.970 -4.914 -4.607 1.00 0.48 H new ATOM 0 HG22 ILE A 100 11.025 -4.013 -6.141 1.00 0.48 H new ATOM 0 HG23 ILE A 100 9.830 -3.578 -4.896 1.00 0.48 H new ATOM 0 HD11 ILE A 100 7.191 -7.594 -4.397 1.00 0.50 H new ATOM 0 HD12 ILE A 100 7.058 -6.951 -6.051 1.00 0.50 H new ATOM 0 HD13 ILE A 100 8.430 -7.995 -5.610 1.00 0.50 H new ATOM 1710 N MET A 101 6.215 -4.721 -6.335 1.00 0.47 N ATOM 1711 CA MET A 101 5.035 -4.203 -5.688 1.00 0.50 C ATOM 1712 C MET A 101 5.062 -4.581 -4.219 1.00 0.50 C ATOM 1713 O MET A 101 4.953 -5.753 -3.857 1.00 0.52 O ATOM 1714 CB MET A 101 3.784 -4.780 -6.353 1.00 0.56 C ATOM 1715 CG MET A 101 3.709 -4.515 -7.848 1.00 0.64 C ATOM 1716 SD MET A 101 3.545 -2.764 -8.232 1.00 0.98 S ATOM 1717 CE MET A 101 1.982 -2.402 -7.441 1.00 0.59 C ATOM 0 H MET A 101 6.119 -5.666 -6.707 1.00 0.47 H new ATOM 0 HA MET A 101 5.015 -3.117 -5.782 1.00 0.50 H new ATOM 0 HB2 MET A 101 3.756 -5.856 -6.182 1.00 0.56 H new ATOM 0 HB3 MET A 101 2.901 -4.358 -5.873 1.00 0.56 H new ATOM 0 HG2 MET A 101 4.606 -4.906 -8.328 1.00 0.64 H new ATOM 0 HG3 MET A 101 2.861 -5.056 -8.267 1.00 0.64 H new ATOM 0 HE1 MET A 101 1.666 -1.393 -7.705 1.00 0.59 H new ATOM 0 HE2 MET A 101 1.231 -3.117 -7.776 1.00 0.59 H new ATOM 0 HE3 MET A 101 2.096 -2.475 -6.359 1.00 0.59 H new ATOM 1727 N VAL A 102 5.222 -3.568 -3.385 1.00 0.50 N ATOM 1728 CA VAL A 102 5.274 -3.763 -1.946 1.00 0.53 C ATOM 1729 C VAL A 102 4.102 -3.087 -1.263 1.00 0.49 C ATOM 1730 O VAL A 102 3.775 -1.937 -1.565 1.00 0.50 O ATOM 1731 CB VAL A 102 6.587 -3.237 -1.334 1.00 0.61 C ATOM 1732 CG1 VAL A 102 7.317 -4.362 -0.628 1.00 0.73 C ATOM 1733 CG2 VAL A 102 7.476 -2.604 -2.391 1.00 0.90 C ATOM 0 H VAL A 102 5.319 -2.597 -3.682 1.00 0.50 H new ATOM 0 HA VAL A 102 5.224 -4.839 -1.780 1.00 0.53 H new ATOM 0 HB VAL A 102 6.338 -2.464 -0.607 1.00 0.61 H new ATOM 0 HG11 VAL A 102 8.244 -3.981 -0.199 1.00 0.73 H new ATOM 0 HG12 VAL A 102 6.687 -4.763 0.166 1.00 0.73 H new ATOM 0 HG13 VAL A 102 7.546 -5.152 -1.343 1.00 0.73 H new ATOM 0 HG21 VAL A 102 8.394 -2.243 -1.926 1.00 0.90 H new ATOM 0 HG22 VAL A 102 7.721 -3.345 -3.151 1.00 0.90 H new ATOM 0 HG23 VAL A 102 6.952 -1.769 -2.855 1.00 0.90 H new ATOM 1743 N ASP A 103 3.484 -3.816 -0.342 1.00 0.48 N ATOM 1744 CA ASP A 103 2.280 -3.365 0.353 1.00 0.47 C ATOM 1745 C ASP A 103 2.542 -2.072 1.115 1.00 0.46 C ATOM 1746 O ASP A 103 3.434 -2.003 1.950 1.00 0.51 O ATOM 1747 CB ASP A 103 1.805 -4.473 1.301 1.00 0.51 C ATOM 1748 CG ASP A 103 0.613 -4.081 2.154 1.00 1.22 C ATOM 1749 OD1 ASP A 103 -0.118 -3.142 1.785 1.00 1.56 O ATOM 1750 OD2 ASP A 103 0.408 -4.721 3.207 1.00 1.96 O ATOM 0 H ASP A 103 3.803 -4.741 -0.053 1.00 0.48 H new ATOM 0 HA ASP A 103 1.499 -3.157 -0.379 1.00 0.47 H new ATOM 0 HB2 ASP A 103 1.546 -5.354 0.714 1.00 0.51 H new ATOM 0 HB3 ASP A 103 2.630 -4.757 1.955 1.00 0.51 H new ATOM 1755 N ASP A 104 1.769 -1.044 0.822 1.00 0.46 N ATOM 1756 CA ASP A 104 1.955 0.253 1.461 1.00 0.47 C ATOM 1757 C ASP A 104 1.402 0.233 2.884 1.00 0.46 C ATOM 1758 O ASP A 104 1.612 1.162 3.666 1.00 0.54 O ATOM 1759 CB ASP A 104 1.285 1.361 0.641 1.00 0.54 C ATOM 1760 CG ASP A 104 1.560 2.745 1.198 1.00 0.66 C ATOM 1761 OD1 ASP A 104 2.706 3.226 1.052 1.00 1.08 O ATOM 1762 OD2 ASP A 104 0.634 3.349 1.783 1.00 0.64 O ATOM 0 H ASP A 104 1.005 -1.077 0.146 1.00 0.46 H new ATOM 0 HA ASP A 104 3.024 0.460 1.509 1.00 0.47 H new ATOM 0 HB2 ASP A 104 1.639 1.311 -0.389 1.00 0.54 H new ATOM 0 HB3 ASP A 104 0.209 1.190 0.617 1.00 0.54 H new ATOM 1767 N SER A 105 0.714 -0.846 3.229 1.00 0.43 N ATOM 1768 CA SER A 105 0.155 -0.986 4.569 1.00 0.49 C ATOM 1769 C SER A 105 1.219 -1.460 5.568 1.00 0.57 C ATOM 1770 O SER A 105 0.946 -1.598 6.763 1.00 0.96 O ATOM 1771 CB SER A 105 -1.009 -1.973 4.549 1.00 0.52 C ATOM 1772 OG SER A 105 -1.807 -1.801 3.391 1.00 1.27 O ATOM 0 H SER A 105 0.530 -1.632 2.606 1.00 0.43 H new ATOM 0 HA SER A 105 -0.203 -0.007 4.889 1.00 0.49 H new ATOM 0 HB2 SER A 105 -0.625 -2.993 4.581 1.00 0.52 H new ATOM 0 HB3 SER A 105 -1.622 -1.835 5.440 1.00 0.52 H new ATOM 0 HG SER A 105 -2.228 -0.916 3.412 1.00 1.27 H new ATOM 1778 N LYS A 106 2.434 -1.701 5.082 1.00 0.45 N ATOM 1779 CA LYS A 106 3.500 -2.232 5.926 1.00 0.49 C ATOM 1780 C LYS A 106 4.757 -1.355 5.858 1.00 0.52 C ATOM 1781 O LYS A 106 4.908 -0.533 4.950 1.00 0.65 O ATOM 1782 CB LYS A 106 3.811 -3.680 5.518 1.00 0.58 C ATOM 1783 CG LYS A 106 4.280 -3.828 4.080 1.00 0.69 C ATOM 1784 CD LYS A 106 5.780 -3.651 3.966 1.00 0.58 C ATOM 1785 CE LYS A 106 6.211 -3.308 2.558 1.00 1.00 C ATOM 1786 NZ LYS A 106 5.974 -1.876 2.250 1.00 2.02 N ATOM 0 H LYS A 106 2.704 -1.538 4.112 1.00 0.45 H new ATOM 0 HA LYS A 106 3.160 -2.224 6.962 1.00 0.49 H new ATOM 0 HB2 LYS A 106 4.578 -4.077 6.183 1.00 0.58 H new ATOM 0 HB3 LYS A 106 2.918 -4.288 5.663 1.00 0.58 H new ATOM 0 HG2 LYS A 106 3.999 -4.811 3.704 1.00 0.69 H new ATOM 0 HG3 LYS A 106 3.777 -3.091 3.454 1.00 0.69 H new ATOM 0 HD2 LYS A 106 6.103 -2.862 4.645 1.00 0.58 H new ATOM 0 HD3 LYS A 106 6.277 -4.568 4.283 1.00 0.58 H new ATOM 0 HE2 LYS A 106 7.269 -3.537 2.434 1.00 1.00 H new ATOM 0 HE3 LYS A 106 5.665 -3.929 1.848 1.00 1.00 H new ATOM 0 HZ1 LYS A 106 6.721 -1.529 1.614 1.00 2.02 H new ATOM 0 HZ2 LYS A 106 5.049 -1.769 1.788 1.00 2.02 H new ATOM 0 HZ3 LYS A 106 5.987 -1.325 3.132 1.00 2.02 H new ATOM 1800 N THR A 107 5.665 -1.563 6.807 1.00 0.53 N ATOM 1801 CA THR A 107 6.854 -0.729 6.956 1.00 0.57 C ATOM 1802 C THR A 107 8.022 -1.203 6.068 1.00 0.52 C ATOM 1803 O THR A 107 7.820 -1.916 5.086 1.00 0.54 O ATOM 1804 CB THR A 107 7.276 -0.700 8.436 1.00 0.69 C ATOM 1805 OG1 THR A 107 7.312 -2.034 8.950 1.00 0.76 O ATOM 1806 CG2 THR A 107 6.302 0.131 9.255 1.00 0.74 C ATOM 0 H THR A 107 5.598 -2.314 7.494 1.00 0.53 H new ATOM 0 HA THR A 107 6.600 0.278 6.624 1.00 0.57 H new ATOM 0 HB THR A 107 8.266 -0.249 8.506 1.00 0.69 H new ATOM 0 HG1 THR A 107 7.582 -2.015 9.892 1.00 0.76 H new ATOM 0 HG21 THR A 107 6.618 0.139 10.298 1.00 0.74 H new ATOM 0 HG22 THR A 107 6.284 1.152 8.873 1.00 0.74 H new ATOM 0 HG23 THR A 107 5.304 -0.301 9.182 1.00 0.74 H new ATOM 1814 N VAL A 108 9.241 -0.781 6.396 1.00 0.49 N ATOM 1815 CA VAL A 108 10.405 -1.037 5.552 1.00 0.47 C ATOM 1816 C VAL A 108 10.886 -2.490 5.630 1.00 0.42 C ATOM 1817 O VAL A 108 11.227 -3.089 4.615 1.00 0.44 O ATOM 1818 CB VAL A 108 11.568 -0.104 5.934 1.00 0.55 C ATOM 1819 CG1 VAL A 108 12.658 -0.141 4.877 1.00 0.61 C ATOM 1820 CG2 VAL A 108 11.068 1.317 6.149 1.00 0.60 C ATOM 0 H VAL A 108 9.449 -0.257 7.246 1.00 0.49 H new ATOM 0 HA VAL A 108 10.087 -0.842 4.528 1.00 0.47 H new ATOM 0 HB VAL A 108 11.996 -0.458 6.872 1.00 0.55 H new ATOM 0 HG11 VAL A 108 13.470 0.526 5.168 1.00 0.61 H new ATOM 0 HG12 VAL A 108 13.040 -1.158 4.783 1.00 0.61 H new ATOM 0 HG13 VAL A 108 12.248 0.182 3.920 1.00 0.61 H new ATOM 0 HG21 VAL A 108 11.906 1.961 6.418 1.00 0.60 H new ATOM 0 HG22 VAL A 108 10.609 1.684 5.231 1.00 0.60 H new ATOM 0 HG23 VAL A 108 10.331 1.326 6.952 1.00 0.60 H new ATOM 1830 N THR A 109 10.964 -3.022 6.840 1.00 0.43 N ATOM 1831 CA THR A 109 11.391 -4.408 7.072 1.00 0.43 C ATOM 1832 C THR A 109 10.700 -5.406 6.135 1.00 0.44 C ATOM 1833 O THR A 109 11.370 -6.128 5.391 1.00 0.45 O ATOM 1834 CB THR A 109 11.135 -4.810 8.536 1.00 0.51 C ATOM 1835 OG1 THR A 109 11.814 -3.894 9.404 1.00 0.56 O ATOM 1836 CG2 THR A 109 11.609 -6.231 8.813 1.00 0.56 C ATOM 0 H THR A 109 10.735 -2.512 7.693 1.00 0.43 H new ATOM 0 HA THR A 109 12.459 -4.445 6.858 1.00 0.43 H new ATOM 0 HB THR A 109 10.061 -4.773 8.720 1.00 0.51 H new ATOM 0 HG1 THR A 109 11.652 -4.146 10.337 1.00 0.56 H new ATOM 0 HG21 THR A 109 11.414 -6.483 9.855 1.00 0.56 H new ATOM 0 HG22 THR A 109 11.074 -6.926 8.165 1.00 0.56 H new ATOM 0 HG23 THR A 109 12.679 -6.302 8.617 1.00 0.56 H new ATOM 1844 N ASP A 110 9.372 -5.440 6.167 1.00 0.47 N ATOM 1845 CA ASP A 110 8.596 -6.344 5.316 1.00 0.51 C ATOM 1846 C ASP A 110 8.864 -6.060 3.836 1.00 0.49 C ATOM 1847 O ASP A 110 8.892 -6.971 3.009 1.00 0.54 O ATOM 1848 CB ASP A 110 7.102 -6.190 5.621 1.00 0.57 C ATOM 1849 CG ASP A 110 6.222 -7.131 4.816 1.00 0.65 C ATOM 1850 OD1 ASP A 110 5.994 -6.860 3.620 1.00 0.70 O ATOM 1851 OD2 ASP A 110 5.777 -8.161 5.368 1.00 0.76 O ATOM 0 H ASP A 110 8.805 -4.850 6.776 1.00 0.47 H new ATOM 0 HA ASP A 110 8.902 -7.369 5.528 1.00 0.51 H new ATOM 0 HB2 ASP A 110 6.935 -6.368 6.683 1.00 0.57 H new ATOM 0 HB3 ASP A 110 6.802 -5.162 5.419 1.00 0.57 H new ATOM 1856 N MET A 111 9.078 -4.787 3.521 1.00 0.46 N ATOM 1857 CA MET A 111 9.403 -4.365 2.160 1.00 0.46 C ATOM 1858 C MET A 111 10.686 -5.026 1.698 1.00 0.40 C ATOM 1859 O MET A 111 10.735 -5.634 0.634 1.00 0.43 O ATOM 1860 CB MET A 111 9.577 -2.847 2.114 1.00 0.51 C ATOM 1861 CG MET A 111 9.845 -2.285 0.728 1.00 0.50 C ATOM 1862 SD MET A 111 10.490 -0.602 0.791 1.00 0.75 S ATOM 1863 CE MET A 111 9.417 0.121 2.026 1.00 0.67 C ATOM 0 H MET A 111 9.032 -4.023 4.195 1.00 0.46 H new ATOM 0 HA MET A 111 8.587 -4.661 1.501 1.00 0.46 H new ATOM 0 HB2 MET A 111 8.678 -2.379 2.514 1.00 0.51 H new ATOM 0 HB3 MET A 111 10.401 -2.568 2.771 1.00 0.51 H new ATOM 0 HG2 MET A 111 10.557 -2.926 0.209 1.00 0.50 H new ATOM 0 HG3 MET A 111 8.922 -2.298 0.148 1.00 0.50 H new ATOM 0 HE1 MET A 111 8.940 1.012 1.617 1.00 0.67 H new ATOM 0 HE2 MET A 111 8.652 -0.601 2.311 1.00 0.67 H new ATOM 0 HE3 MET A 111 10.004 0.393 2.903 1.00 0.67 H new ATOM 1873 N LEU A 112 11.715 -4.910 2.520 1.00 0.36 N ATOM 1874 CA LEU A 112 13.013 -5.476 2.205 1.00 0.34 C ATOM 1875 C LEU A 112 12.916 -6.991 2.134 1.00 0.37 C ATOM 1876 O LEU A 112 13.511 -7.618 1.261 1.00 0.42 O ATOM 1877 CB LEU A 112 14.031 -5.063 3.262 1.00 0.35 C ATOM 1878 CG LEU A 112 15.399 -4.676 2.714 1.00 0.38 C ATOM 1879 CD1 LEU A 112 15.279 -3.456 1.821 1.00 0.39 C ATOM 1880 CD2 LEU A 112 16.361 -4.405 3.850 1.00 0.46 C ATOM 0 H LEU A 112 11.674 -4.425 3.416 1.00 0.36 H new ATOM 0 HA LEU A 112 13.339 -5.099 1.236 1.00 0.34 H new ATOM 0 HB2 LEU A 112 13.629 -4.220 3.824 1.00 0.35 H new ATOM 0 HB3 LEU A 112 14.157 -5.885 3.966 1.00 0.35 H new ATOM 0 HG LEU A 112 15.787 -5.505 2.121 1.00 0.38 H new ATOM 0 HD11 LEU A 112 16.263 -3.189 1.435 1.00 0.39 H new ATOM 0 HD12 LEU A 112 14.611 -3.679 0.989 1.00 0.39 H new ATOM 0 HD13 LEU A 112 14.876 -2.622 2.396 1.00 0.39 H new ATOM 0 HD21 LEU A 112 17.335 -4.130 3.444 1.00 0.46 H new ATOM 0 HD22 LEU A 112 15.979 -3.589 4.463 1.00 0.46 H new ATOM 0 HD23 LEU A 112 16.463 -5.301 4.462 1.00 0.46 H new ATOM 1892 N MET A 113 12.149 -7.558 3.063 1.00 0.39 N ATOM 1893 CA MET A 113 11.855 -8.990 3.080 1.00 0.46 C ATOM 1894 C MET A 113 11.279 -9.417 1.739 1.00 0.49 C ATOM 1895 O MET A 113 11.638 -10.454 1.183 1.00 0.56 O ATOM 1896 CB MET A 113 10.848 -9.289 4.193 1.00 0.55 C ATOM 1897 CG MET A 113 10.474 -10.758 4.319 1.00 0.61 C ATOM 1898 SD MET A 113 9.038 -11.014 5.384 1.00 0.98 S ATOM 1899 CE MET A 113 9.565 -10.187 6.883 1.00 1.34 C ATOM 0 H MET A 113 11.714 -7.038 3.825 1.00 0.39 H new ATOM 0 HA MET A 113 12.775 -9.544 3.263 1.00 0.46 H new ATOM 0 HB2 MET A 113 11.261 -8.948 5.142 1.00 0.55 H new ATOM 0 HB3 MET A 113 9.942 -8.709 4.013 1.00 0.55 H new ATOM 0 HG2 MET A 113 10.265 -11.163 3.329 1.00 0.61 H new ATOM 0 HG3 MET A 113 11.323 -11.313 4.718 1.00 0.61 H new ATOM 0 HE1 MET A 113 9.176 -10.722 7.750 1.00 1.34 H new ATOM 0 HE2 MET A 113 10.654 -10.171 6.926 1.00 1.34 H new ATOM 0 HE3 MET A 113 9.186 -9.165 6.887 1.00 1.34 H new ATOM 1909 N THR A 114 10.384 -8.589 1.235 1.00 0.47 N ATOM 1910 CA THR A 114 9.772 -8.796 -0.056 1.00 0.50 C ATOM 1911 C THR A 114 10.803 -8.676 -1.181 1.00 0.46 C ATOM 1912 O THR A 114 10.913 -9.563 -2.023 1.00 0.49 O ATOM 1913 CB THR A 114 8.636 -7.775 -0.267 1.00 0.54 C ATOM 1914 OG1 THR A 114 7.577 -8.025 0.672 1.00 0.62 O ATOM 1915 CG2 THR A 114 8.095 -7.818 -1.691 1.00 0.60 C ATOM 0 H THR A 114 10.062 -7.749 1.716 1.00 0.47 H new ATOM 0 HA THR A 114 9.360 -9.805 -0.082 1.00 0.50 H new ATOM 0 HB THR A 114 9.045 -6.779 -0.101 1.00 0.54 H new ATOM 0 HG1 THR A 114 7.851 -7.722 1.563 1.00 0.62 H new ATOM 0 HG21 THR A 114 7.296 -7.084 -1.799 1.00 0.60 H new ATOM 0 HG22 THR A 114 8.897 -7.587 -2.392 1.00 0.60 H new ATOM 0 HG23 THR A 114 7.704 -8.813 -1.902 1.00 0.60 H new ATOM 1923 N ILE A 115 11.595 -7.606 -1.153 1.00 0.43 N ATOM 1924 CA ILE A 115 12.502 -7.287 -2.253 1.00 0.41 C ATOM 1925 C ILE A 115 13.602 -8.333 -2.398 1.00 0.42 C ATOM 1926 O ILE A 115 13.865 -8.814 -3.503 1.00 0.43 O ATOM 1927 CB ILE A 115 13.151 -5.898 -2.067 1.00 0.40 C ATOM 1928 CG1 ILE A 115 12.074 -4.814 -1.992 1.00 0.42 C ATOM 1929 CG2 ILE A 115 14.120 -5.604 -3.207 1.00 0.42 C ATOM 1930 CD1 ILE A 115 12.612 -3.446 -1.627 1.00 0.44 C ATOM 0 H ILE A 115 11.627 -6.944 -0.378 1.00 0.43 H new ATOM 0 HA ILE A 115 11.896 -7.281 -3.159 1.00 0.41 H new ATOM 0 HB ILE A 115 13.710 -5.900 -1.131 1.00 0.40 H new ATOM 0 HG12 ILE A 115 11.567 -4.750 -2.955 1.00 0.42 H new ATOM 0 HG13 ILE A 115 11.325 -5.108 -1.257 1.00 0.42 H new ATOM 0 HG21 ILE A 115 14.568 -4.621 -3.059 1.00 0.42 H new ATOM 0 HG22 ILE A 115 14.904 -6.361 -3.223 1.00 0.42 H new ATOM 0 HG23 ILE A 115 13.582 -5.619 -4.155 1.00 0.42 H new ATOM 0 HD11 ILE A 115 11.791 -2.729 -1.593 1.00 0.44 H new ATOM 0 HD12 ILE A 115 13.093 -3.493 -0.650 1.00 0.44 H new ATOM 0 HD13 ILE A 115 13.339 -3.130 -2.375 1.00 0.44 H new ATOM 1942 N CYS A 116 14.226 -8.705 -1.285 1.00 0.43 N ATOM 1943 CA CYS A 116 15.341 -9.644 -1.322 1.00 0.47 C ATOM 1944 C CYS A 116 14.882 -11.007 -1.820 1.00 0.50 C ATOM 1945 O CYS A 116 15.662 -11.760 -2.406 1.00 0.53 O ATOM 1946 CB CYS A 116 15.994 -9.779 0.056 1.00 0.51 C ATOM 1947 SG CYS A 116 14.868 -10.314 1.369 1.00 1.56 S ATOM 0 H CYS A 116 13.981 -8.373 -0.352 1.00 0.43 H new ATOM 0 HA CYS A 116 16.083 -9.250 -2.016 1.00 0.47 H new ATOM 0 HB2 CYS A 116 16.816 -10.491 -0.013 1.00 0.51 H new ATOM 0 HB3 CYS A 116 16.427 -8.818 0.335 1.00 0.51 H new ATOM 0 HG CYS A 116 14.027 -9.359 1.635 1.00 1.56 H new ATOM 1953 N ALA A 117 13.611 -11.314 -1.598 1.00 0.50 N ATOM 1954 CA ALA A 117 13.038 -12.573 -2.042 1.00 0.54 C ATOM 1955 C ALA A 117 12.809 -12.559 -3.548 1.00 0.54 C ATOM 1956 O ALA A 117 12.904 -13.595 -4.205 1.00 0.58 O ATOM 1957 CB ALA A 117 11.735 -12.850 -1.308 1.00 0.57 C ATOM 0 H ALA A 117 12.956 -10.703 -1.110 1.00 0.50 H new ATOM 0 HA ALA A 117 13.743 -13.372 -1.811 1.00 0.54 H new ATOM 0 HB1 ALA A 117 11.318 -13.797 -1.652 1.00 0.57 H new ATOM 0 HB2 ALA A 117 11.926 -12.905 -0.236 1.00 0.57 H new ATOM 0 HB3 ALA A 117 11.026 -12.047 -1.509 1.00 0.57 H new ATOM 1963 N ARG A 118 12.528 -11.378 -4.096 1.00 0.50 N ATOM 1964 CA ARG A 118 12.285 -11.241 -5.530 1.00 0.51 C ATOM 1965 C ARG A 118 13.578 -11.489 -6.293 1.00 0.52 C ATOM 1966 O ARG A 118 13.580 -12.108 -7.358 1.00 0.55 O ATOM 1967 CB ARG A 118 11.739 -9.847 -5.882 1.00 0.49 C ATOM 1968 CG ARG A 118 10.668 -9.335 -4.929 1.00 0.49 C ATOM 1969 CD ARG A 118 9.500 -10.300 -4.788 1.00 0.58 C ATOM 1970 NE ARG A 118 8.695 -10.397 -6.004 1.00 0.84 N ATOM 1971 CZ ARG A 118 7.420 -10.793 -6.024 1.00 1.16 C ATOM 1972 NH1 ARG A 118 6.796 -11.111 -4.893 1.00 1.23 N ATOM 1973 NH2 ARG A 118 6.767 -10.855 -7.176 1.00 1.75 N ATOM 0 H ARG A 118 12.463 -10.506 -3.571 1.00 0.50 H new ATOM 0 HA ARG A 118 11.535 -11.978 -5.815 1.00 0.51 H new ATOM 0 HB2 ARG A 118 12.567 -9.138 -5.895 1.00 0.49 H new ATOM 0 HB3 ARG A 118 11.328 -9.875 -6.891 1.00 0.49 H new ATOM 0 HG2 ARG A 118 11.112 -9.162 -3.949 1.00 0.49 H new ATOM 0 HG3 ARG A 118 10.299 -8.373 -5.286 1.00 0.49 H new ATOM 0 HD2 ARG A 118 9.880 -11.288 -4.530 1.00 0.58 H new ATOM 0 HD3 ARG A 118 8.866 -9.977 -3.963 1.00 0.58 H new ATOM 0 HE ARG A 118 9.133 -10.147 -6.890 1.00 0.84 H new ATOM 0 HH11 ARG A 118 7.292 -11.053 -4.003 1.00 1.23 H new ATOM 0 HH12 ARG A 118 5.822 -11.413 -4.915 1.00 1.23 H new ATOM 0 HH21 ARG A 118 7.239 -10.601 -8.044 1.00 1.75 H new ATOM 0 HH22 ARG A 118 5.793 -11.157 -7.194 1.00 1.75 H new ATOM 1987 N ILE A 119 14.681 -10.997 -5.738 1.00 0.52 N ATOM 1988 CA ILE A 119 15.993 -11.184 -6.342 1.00 0.54 C ATOM 1989 C ILE A 119 16.453 -12.620 -6.165 1.00 0.58 C ATOM 1990 O ILE A 119 16.860 -13.280 -7.119 1.00 0.66 O ATOM 1991 CB ILE A 119 17.061 -10.270 -5.698 1.00 0.51 C ATOM 1992 CG1 ILE A 119 16.466 -8.921 -5.296 1.00 0.49 C ATOM 1993 CG2 ILE A 119 18.231 -10.071 -6.652 1.00 0.56 C ATOM 1994 CD1 ILE A 119 15.929 -8.117 -6.455 1.00 0.69 C ATOM 0 H ILE A 119 14.691 -10.464 -4.868 1.00 0.52 H new ATOM 0 HA ILE A 119 15.890 -10.932 -7.397 1.00 0.54 H new ATOM 0 HB ILE A 119 17.422 -10.760 -4.794 1.00 0.51 H new ATOM 0 HG12 ILE A 119 15.661 -9.089 -4.580 1.00 0.49 H new ATOM 0 HG13 ILE A 119 17.231 -8.336 -4.785 1.00 0.49 H new ATOM 0 HG21 ILE A 119 18.975 -9.425 -6.185 1.00 0.56 H new ATOM 0 HG22 ILE A 119 18.681 -11.037 -6.882 1.00 0.56 H new ATOM 0 HG23 ILE A 119 17.875 -9.608 -7.573 1.00 0.56 H new ATOM 0 HD11 ILE A 119 15.524 -7.174 -6.087 1.00 0.69 H new ATOM 0 HD12 ILE A 119 16.734 -7.915 -7.162 1.00 0.69 H new ATOM 0 HD13 ILE A 119 15.140 -8.680 -6.954 1.00 0.69 H new ATOM 2006 N GLY A 120 16.360 -13.096 -4.933 1.00 0.57 N ATOM 2007 CA GLY A 120 16.912 -14.387 -4.588 1.00 0.62 C ATOM 2008 C GLY A 120 18.035 -14.246 -3.583 1.00 0.64 C ATOM 2009 O GLY A 120 18.951 -15.064 -3.532 1.00 0.70 O ATOM 0 H GLY A 120 15.908 -12.606 -4.161 1.00 0.57 H new ATOM 0 HA2 GLY A 120 16.129 -15.023 -4.176 1.00 0.62 H new ATOM 0 HA3 GLY A 120 17.283 -14.880 -5.487 1.00 0.62 H new ATOM 2013 N ILE A 121 17.960 -13.185 -2.790 1.00 0.66 N ATOM 2014 CA ILE A 121 18.974 -12.886 -1.793 1.00 0.71 C ATOM 2015 C ILE A 121 18.689 -13.644 -0.498 1.00 0.82 C ATOM 2016 O ILE A 121 19.592 -14.222 0.108 1.00 1.54 O ATOM 2017 CB ILE A 121 19.027 -11.369 -1.498 1.00 0.63 C ATOM 2018 CG1 ILE A 121 19.379 -10.584 -2.765 1.00 0.59 C ATOM 2019 CG2 ILE A 121 20.028 -11.073 -0.393 1.00 0.67 C ATOM 2020 CD1 ILE A 121 19.379 -9.080 -2.574 1.00 0.56 C ATOM 0 H ILE A 121 17.196 -12.510 -2.821 1.00 0.66 H new ATOM 0 HA ILE A 121 19.938 -13.202 -2.193 1.00 0.71 H new ATOM 0 HB ILE A 121 18.040 -11.053 -1.161 1.00 0.63 H new ATOM 0 HG12 ILE A 121 20.364 -10.897 -3.113 1.00 0.59 H new ATOM 0 HG13 ILE A 121 18.667 -10.841 -3.550 1.00 0.59 H new ATOM 0 HG21 ILE A 121 20.051 -10.000 -0.200 1.00 0.67 H new ATOM 0 HG22 ILE A 121 19.733 -11.599 0.515 1.00 0.67 H new ATOM 0 HG23 ILE A 121 21.019 -11.407 -0.701 1.00 0.67 H new ATOM 0 HD11 ILE A 121 19.637 -8.594 -3.515 1.00 0.56 H new ATOM 0 HD12 ILE A 121 18.389 -8.754 -2.257 1.00 0.56 H new ATOM 0 HD13 ILE A 121 20.111 -8.810 -1.813 1.00 0.56 H new ATOM 2032 N THR A 122 17.420 -13.632 -0.088 1.00 0.96 N ATOM 2033 CA THR A 122 16.986 -14.300 1.138 1.00 1.00 C ATOM 2034 C THR A 122 17.700 -13.705 2.361 1.00 0.90 C ATOM 2035 O THR A 122 17.940 -14.380 3.363 1.00 1.04 O ATOM 2036 CB THR A 122 17.245 -15.819 1.054 1.00 1.18 C ATOM 2037 OG1 THR A 122 16.963 -16.283 -0.274 1.00 1.55 O ATOM 2038 CG2 THR A 122 16.370 -16.579 2.040 1.00 1.65 C ATOM 0 H THR A 122 16.669 -13.162 -0.593 1.00 0.96 H new ATOM 0 HA THR A 122 15.914 -14.138 1.250 1.00 1.00 H new ATOM 0 HB THR A 122 18.291 -15.999 1.303 1.00 1.18 H new ATOM 0 HG1 THR A 122 17.130 -17.247 -0.326 1.00 1.55 H new ATOM 0 HG21 THR A 122 16.573 -17.647 1.959 1.00 1.65 H new ATOM 0 HG22 THR A 122 16.589 -16.244 3.054 1.00 1.65 H new ATOM 0 HG23 THR A 122 15.320 -16.392 1.814 1.00 1.65 H new ATOM 2046 N ASN A 123 18.025 -12.425 2.264 1.00 0.91 N ATOM 2047 CA ASN A 123 18.722 -11.708 3.324 1.00 0.87 C ATOM 2048 C ASN A 123 18.358 -10.239 3.246 1.00 0.77 C ATOM 2049 O ASN A 123 18.538 -9.606 2.209 1.00 1.05 O ATOM 2050 CB ASN A 123 20.237 -11.910 3.190 1.00 1.10 C ATOM 2051 CG ASN A 123 21.045 -11.138 4.215 1.00 1.31 C ATOM 2052 OD1 ASN A 123 20.558 -10.801 5.296 1.00 2.13 O ATOM 2053 ND2 ASN A 123 22.296 -10.869 3.880 1.00 1.50 N ATOM 0 H ASN A 123 17.813 -11.852 1.447 1.00 0.91 H new ATOM 0 HA ASN A 123 18.420 -12.096 4.297 1.00 0.87 H new ATOM 0 HB2 ASN A 123 20.463 -12.972 3.286 1.00 1.10 H new ATOM 0 HB3 ASN A 123 20.549 -11.607 2.191 1.00 1.10 H new ATOM 0 HD21 ASN A 123 22.900 -10.363 4.528 1.00 1.50 H new ATOM 0 HD22 ASN A 123 22.657 -11.168 2.974 1.00 1.50 H new ATOM 2060 N HIS A 124 17.800 -9.711 4.322 1.00 0.61 N ATOM 2061 CA HIS A 124 17.330 -8.335 4.327 1.00 0.59 C ATOM 2062 C HIS A 124 17.539 -7.674 5.682 1.00 0.57 C ATOM 2063 O HIS A 124 17.024 -6.589 5.930 1.00 0.66 O ATOM 2064 CB HIS A 124 15.848 -8.272 3.941 1.00 0.63 C ATOM 2065 CG HIS A 124 14.919 -8.901 4.937 1.00 0.58 C ATOM 2066 ND1 HIS A 124 14.261 -8.178 5.908 1.00 0.55 N ATOM 2067 CD2 HIS A 124 14.515 -10.185 5.089 1.00 0.66 C ATOM 2068 CE1 HIS A 124 13.494 -8.985 6.610 1.00 0.57 C ATOM 2069 NE2 HIS A 124 13.628 -10.209 6.136 1.00 0.66 N ATOM 0 H HIS A 124 17.661 -10.211 5.200 1.00 0.61 H new ATOM 0 HA HIS A 124 17.918 -7.788 3.590 1.00 0.59 H new ATOM 0 HB2 HIS A 124 15.564 -7.228 3.807 1.00 0.63 H new ATOM 0 HB3 HIS A 124 15.715 -8.764 2.978 1.00 0.63 H new ATOM 0 HD2 HIS A 124 14.832 -11.031 4.497 1.00 0.66 H new ATOM 0 HE1 HIS A 124 12.861 -8.694 7.435 1.00 0.57 H new ATOM 0 HE2 HIS A 124 13.150 -11.038 6.490 1.00 0.66 H new ATOM 2078 N ASP A 125 18.295 -8.314 6.556 1.00 0.62 N ATOM 2079 CA ASP A 125 18.494 -7.782 7.894 1.00 0.72 C ATOM 2080 C ASP A 125 19.641 -6.780 7.896 1.00 0.64 C ATOM 2081 O ASP A 125 19.597 -5.764 8.590 1.00 0.66 O ATOM 2082 CB ASP A 125 18.785 -8.906 8.888 1.00 0.97 C ATOM 2083 CG ASP A 125 18.982 -8.383 10.296 1.00 1.54 C ATOM 2084 OD1 ASP A 125 17.988 -7.979 10.935 1.00 2.14 O ATOM 2085 OD2 ASP A 125 20.136 -8.369 10.774 1.00 2.11 O ATOM 0 H ASP A 125 18.777 -9.193 6.368 1.00 0.62 H new ATOM 0 HA ASP A 125 17.577 -7.278 8.200 1.00 0.72 H new ATOM 0 HB2 ASP A 125 17.962 -9.620 8.879 1.00 0.97 H new ATOM 0 HB3 ASP A 125 19.678 -9.445 8.574 1.00 0.97 H new ATOM 2090 N GLU A 126 20.652 -7.063 7.082 1.00 0.62 N ATOM 2091 CA GLU A 126 21.848 -6.231 7.025 1.00 0.62 C ATOM 2092 C GLU A 126 21.697 -5.086 6.033 1.00 0.52 C ATOM 2093 O GLU A 126 22.631 -4.311 5.823 1.00 0.61 O ATOM 2094 CB GLU A 126 23.078 -7.072 6.670 1.00 0.76 C ATOM 2095 CG GLU A 126 22.885 -7.975 5.463 1.00 1.19 C ATOM 2096 CD GLU A 126 24.198 -8.472 4.890 1.00 1.84 C ATOM 2097 OE1 GLU A 126 24.907 -7.673 4.246 1.00 2.27 O ATOM 2098 OE2 GLU A 126 24.527 -9.661 5.081 1.00 2.30 O ATOM 0 H GLU A 126 20.667 -7.864 6.451 1.00 0.62 H new ATOM 0 HA GLU A 126 21.985 -5.799 8.016 1.00 0.62 H new ATOM 0 HB2 GLU A 126 23.919 -6.405 6.480 1.00 0.76 H new ATOM 0 HB3 GLU A 126 23.346 -7.686 7.530 1.00 0.76 H new ATOM 0 HG2 GLU A 126 22.271 -8.829 5.748 1.00 1.19 H new ATOM 0 HG3 GLU A 126 22.339 -7.432 4.692 1.00 1.19 H new ATOM 2105 N TYR A 127 20.522 -4.964 5.440 1.00 0.43 N ATOM 2106 CA TYR A 127 20.287 -3.928 4.449 1.00 0.38 C ATOM 2107 C TYR A 127 19.334 -2.871 4.978 1.00 0.39 C ATOM 2108 O TYR A 127 18.448 -3.157 5.785 1.00 0.42 O ATOM 2109 CB TYR A 127 19.710 -4.523 3.166 1.00 0.36 C ATOM 2110 CG TYR A 127 20.583 -5.562 2.510 1.00 0.36 C ATOM 2111 CD1 TYR A 127 21.718 -5.203 1.807 1.00 0.38 C ATOM 2112 CD2 TYR A 127 20.260 -6.904 2.589 1.00 0.40 C ATOM 2113 CE1 TYR A 127 22.508 -6.154 1.197 1.00 0.41 C ATOM 2114 CE2 TYR A 127 21.039 -7.863 1.983 1.00 0.43 C ATOM 2115 CZ TYR A 127 22.165 -7.484 1.290 1.00 0.43 C ATOM 2116 OH TYR A 127 22.948 -8.439 0.689 1.00 0.49 O ATOM 0 H TYR A 127 19.720 -5.566 5.626 1.00 0.43 H new ATOM 0 HA TYR A 127 21.249 -3.464 4.232 1.00 0.38 H new ATOM 0 HB2 TYR A 127 18.742 -4.970 3.391 1.00 0.36 H new ATOM 0 HB3 TYR A 127 19.531 -3.716 2.455 1.00 0.36 H new ATOM 0 HD1 TYR A 127 21.990 -4.160 1.734 1.00 0.38 H new ATOM 0 HD2 TYR A 127 19.379 -7.205 3.137 1.00 0.40 H new ATOM 0 HE1 TYR A 127 23.390 -5.857 0.650 1.00 0.41 H new ATOM 0 HE2 TYR A 127 20.768 -8.906 2.051 1.00 0.43 H new ATOM 0 HH TYR A 127 22.565 -9.326 0.852 1.00 0.49 H new ATOM 2126 N SER A 128 19.523 -1.650 4.527 1.00 0.40 N ATOM 2127 CA SER A 128 18.597 -0.577 4.811 1.00 0.42 C ATOM 2128 C SER A 128 18.098 0.002 3.498 1.00 0.41 C ATOM 2129 O SER A 128 18.764 -0.120 2.469 1.00 0.54 O ATOM 2130 CB SER A 128 19.275 0.503 5.654 1.00 0.47 C ATOM 2131 OG SER A 128 19.786 -0.040 6.859 1.00 1.13 O ATOM 0 H SER A 128 20.321 -1.374 3.955 1.00 0.40 H new ATOM 0 HA SER A 128 17.752 -0.963 5.381 1.00 0.42 H new ATOM 0 HB2 SER A 128 20.085 0.959 5.084 1.00 0.47 H new ATOM 0 HB3 SER A 128 18.560 1.294 5.882 1.00 0.47 H new ATOM 0 HG SER A 128 19.101 0.013 7.558 1.00 1.13 H new ATOM 2137 N LEU A 129 16.930 0.614 3.523 1.00 0.42 N ATOM 2138 CA LEU A 129 16.358 1.169 2.310 1.00 0.42 C ATOM 2139 C LEU A 129 16.727 2.639 2.226 1.00 0.43 C ATOM 2140 O LEU A 129 16.645 3.348 3.212 1.00 0.48 O ATOM 2141 CB LEU A 129 14.831 0.988 2.319 1.00 0.43 C ATOM 2142 CG LEU A 129 14.149 0.856 0.945 1.00 0.45 C ATOM 2143 CD1 LEU A 129 14.313 2.116 0.115 1.00 1.33 C ATOM 2144 CD2 LEU A 129 14.696 -0.347 0.191 1.00 1.13 C ATOM 0 H LEU A 129 16.362 0.739 4.361 1.00 0.42 H new ATOM 0 HA LEU A 129 16.753 0.649 1.437 1.00 0.42 H new ATOM 0 HB2 LEU A 129 14.596 0.099 2.904 1.00 0.43 H new ATOM 0 HB3 LEU A 129 14.389 1.838 2.839 1.00 0.43 H new ATOM 0 HG LEU A 129 13.083 0.709 1.121 1.00 0.45 H new ATOM 0 HD11 LEU A 129 13.819 1.985 -0.847 1.00 1.33 H new ATOM 0 HD12 LEU A 129 13.865 2.959 0.641 1.00 1.33 H new ATOM 0 HD13 LEU A 129 15.373 2.311 -0.045 1.00 1.33 H new ATOM 0 HD21 LEU A 129 14.202 -0.424 -0.778 1.00 1.13 H new ATOM 0 HD22 LEU A 129 15.769 -0.226 0.043 1.00 1.13 H new ATOM 0 HD23 LEU A 129 14.509 -1.253 0.767 1.00 1.13 H new ATOM 2156 N VAL A 130 17.145 3.089 1.065 1.00 0.42 N ATOM 2157 CA VAL A 130 17.497 4.486 0.882 1.00 0.46 C ATOM 2158 C VAL A 130 16.785 5.040 -0.343 1.00 0.46 C ATOM 2159 O VAL A 130 16.999 4.585 -1.465 1.00 0.45 O ATOM 2160 CB VAL A 130 19.034 4.683 0.792 1.00 0.48 C ATOM 2161 CG1 VAL A 130 19.689 3.472 0.182 1.00 0.49 C ATOM 2162 CG2 VAL A 130 19.410 5.925 -0.003 1.00 0.60 C ATOM 0 H VAL A 130 17.251 2.511 0.231 1.00 0.42 H new ATOM 0 HA VAL A 130 17.165 5.045 1.757 1.00 0.46 H new ATOM 0 HB VAL A 130 19.395 4.818 1.811 1.00 0.48 H new ATOM 0 HG11 VAL A 130 20.766 3.630 0.128 1.00 0.49 H new ATOM 0 HG12 VAL A 130 19.481 2.597 0.798 1.00 0.49 H new ATOM 0 HG13 VAL A 130 19.295 3.312 -0.821 1.00 0.49 H new ATOM 0 HG21 VAL A 130 20.495 6.020 -0.038 1.00 0.60 H new ATOM 0 HG22 VAL A 130 19.020 5.839 -1.017 1.00 0.60 H new ATOM 0 HG23 VAL A 130 18.984 6.806 0.476 1.00 0.60 H new ATOM 2172 N ARG A 131 15.907 5.997 -0.109 1.00 0.48 N ATOM 2173 CA ARG A 131 15.097 6.554 -1.173 1.00 0.50 C ATOM 2174 C ARG A 131 15.686 7.859 -1.681 1.00 0.57 C ATOM 2175 O ARG A 131 15.526 8.910 -1.051 1.00 0.64 O ATOM 2176 CB ARG A 131 13.689 6.839 -0.657 1.00 0.54 C ATOM 2177 CG ARG A 131 13.010 5.664 0.015 1.00 0.51 C ATOM 2178 CD ARG A 131 11.604 6.043 0.440 1.00 0.62 C ATOM 2179 NE ARG A 131 10.778 6.432 -0.705 1.00 0.96 N ATOM 2180 CZ ARG A 131 9.771 5.708 -1.189 1.00 1.65 C ATOM 2181 NH1 ARG A 131 9.432 4.562 -0.607 1.00 2.18 N ATOM 2182 NH2 ARG A 131 9.096 6.140 -2.248 1.00 2.01 N ATOM 0 H ARG A 131 15.737 6.405 0.810 1.00 0.48 H new ATOM 0 HA ARG A 131 15.070 5.827 -1.985 1.00 0.50 H new ATOM 0 HB2 ARG A 131 13.737 7.667 0.051 1.00 0.54 H new ATOM 0 HB3 ARG A 131 13.071 7.169 -1.492 1.00 0.54 H new ATOM 0 HG2 ARG A 131 12.975 4.816 -0.669 1.00 0.51 H new ATOM 0 HG3 ARG A 131 13.588 5.349 0.884 1.00 0.51 H new ATOM 0 HD2 ARG A 131 11.140 5.201 0.954 1.00 0.62 H new ATOM 0 HD3 ARG A 131 11.649 6.866 1.153 1.00 0.62 H new ATOM 0 HE ARG A 131 10.989 7.319 -1.163 1.00 0.96 H new ATOM 0 HH11 ARG A 131 9.944 4.235 0.213 1.00 2.18 H new ATOM 0 HH12 ARG A 131 8.660 4.009 -0.980 1.00 2.18 H new ATOM 0 HH21 ARG A 131 9.350 7.024 -2.688 1.00 2.01 H new ATOM 0 HH22 ARG A 131 8.324 5.587 -2.621 1.00 2.01 H new ATOM 2196 N GLU A 132 16.344 7.807 -2.818 1.00 0.58 N ATOM 2197 CA GLU A 132 16.770 9.023 -3.472 1.00 0.66 C ATOM 2198 C GLU A 132 15.592 9.633 -4.209 1.00 0.73 C ATOM 2199 O GLU A 132 15.166 9.130 -5.256 1.00 0.74 O ATOM 2200 CB GLU A 132 17.934 8.771 -4.432 1.00 0.68 C ATOM 2201 CG GLU A 132 19.244 8.431 -3.739 1.00 0.64 C ATOM 2202 CD GLU A 132 20.453 8.761 -4.592 1.00 0.72 C ATOM 2203 OE1 GLU A 132 20.830 7.942 -5.457 1.00 0.90 O ATOM 2204 OE2 GLU A 132 21.036 9.851 -4.403 1.00 1.05 O ATOM 0 H GLU A 132 16.593 6.946 -3.304 1.00 0.58 H new ATOM 0 HA GLU A 132 17.127 9.718 -2.712 1.00 0.66 H new ATOM 0 HB2 GLU A 132 17.668 7.955 -5.104 1.00 0.68 H new ATOM 0 HB3 GLU A 132 18.081 9.657 -5.050 1.00 0.68 H new ATOM 0 HG2 GLU A 132 19.307 8.978 -2.798 1.00 0.64 H new ATOM 0 HG3 GLU A 132 19.256 7.369 -3.492 1.00 0.64 H new ATOM 2211 N LEU A 133 15.040 10.702 -3.650 1.00 0.80 N ATOM 2212 CA LEU A 133 13.810 11.256 -4.189 1.00 0.87 C ATOM 2213 C LEU A 133 14.031 12.591 -4.873 1.00 0.97 C ATOM 2214 O LEU A 133 15.147 13.104 -4.954 1.00 1.02 O ATOM 2215 CB LEU A 133 12.764 11.444 -3.090 1.00 0.92 C ATOM 2216 CG LEU A 133 12.589 10.266 -2.136 1.00 0.87 C ATOM 2217 CD1 LEU A 133 11.456 10.545 -1.160 1.00 0.97 C ATOM 2218 CD2 LEU A 133 12.327 8.986 -2.910 1.00 0.80 C ATOM 0 H LEU A 133 15.417 11.193 -2.839 1.00 0.80 H new ATOM 0 HA LEU A 133 13.454 10.537 -4.927 1.00 0.87 H new ATOM 0 HB2 LEU A 133 13.031 12.325 -2.506 1.00 0.92 H new ATOM 0 HB3 LEU A 133 11.803 11.653 -3.560 1.00 0.92 H new ATOM 0 HG LEU A 133 13.511 10.137 -1.569 1.00 0.87 H new ATOM 0 HD11 LEU A 133 11.341 9.697 -0.484 1.00 0.97 H new ATOM 0 HD12 LEU A 133 11.685 11.441 -0.583 1.00 0.97 H new ATOM 0 HD13 LEU A 133 10.529 10.697 -1.713 1.00 0.97 H new ATOM 0 HD21 LEU A 133 12.205 8.157 -2.212 1.00 0.80 H new ATOM 0 HD22 LEU A 133 11.419 9.098 -3.502 1.00 0.80 H new ATOM 0 HD23 LEU A 133 13.169 8.782 -3.572 1.00 0.80 H new ATOM 2230 N MET A 134 12.924 13.142 -5.331 1.00 1.04 N ATOM 2231 CA MET A 134 12.875 14.452 -5.966 1.00 1.15 C ATOM 2232 C MET A 134 12.387 15.471 -4.955 1.00 1.22 C ATOM 2233 O MET A 134 12.138 16.630 -5.284 1.00 1.29 O ATOM 2234 CB MET A 134 11.913 14.401 -7.154 1.00 1.27 C ATOM 2235 CG MET A 134 10.534 13.863 -6.783 1.00 1.36 C ATOM 2236 SD MET A 134 9.481 15.079 -5.959 1.00 1.80 S ATOM 2237 CE MET A 134 8.097 14.057 -5.464 1.00 2.03 C ATOM 0 H MET A 134 12.014 12.686 -5.273 1.00 1.04 H new ATOM 0 HA MET A 134 13.867 14.734 -6.319 1.00 1.15 H new ATOM 0 HB2 MET A 134 11.806 15.402 -7.571 1.00 1.27 H new ATOM 0 HB3 MET A 134 12.343 13.775 -7.936 1.00 1.27 H new ATOM 0 HG2 MET A 134 10.034 13.515 -7.687 1.00 1.36 H new ATOM 0 HG3 MET A 134 10.654 12.998 -6.131 1.00 1.36 H new ATOM 0 HE1 MET A 134 7.361 14.669 -4.942 1.00 2.03 H new ATOM 0 HE2 MET A 134 7.638 13.613 -6.347 1.00 2.03 H new ATOM 0 HE3 MET A 134 8.448 13.266 -4.801 1.00 2.03 H new ATOM 2247 N GLU A 135 12.251 14.992 -3.726 1.00 1.27 N ATOM 2248 CA GLU A 135 11.640 15.737 -2.635 1.00 1.39 C ATOM 2249 C GLU A 135 12.144 17.167 -2.541 1.00 1.41 C ATOM 2250 O GLU A 135 13.304 17.409 -2.220 1.00 1.45 O ATOM 2251 CB GLU A 135 11.896 15.006 -1.321 1.00 1.48 C ATOM 2252 CG GLU A 135 10.650 14.374 -0.739 1.00 1.58 C ATOM 2253 CD GLU A 135 9.696 15.416 -0.204 1.00 1.83 C ATOM 2254 OE1 GLU A 135 8.962 16.028 -1.003 1.00 2.29 O ATOM 2255 OE2 GLU A 135 9.699 15.638 1.018 1.00 2.04 O ATOM 0 H GLU A 135 12.567 14.061 -3.455 1.00 1.27 H new ATOM 0 HA GLU A 135 10.570 15.795 -2.837 1.00 1.39 H new ATOM 0 HB2 GLU A 135 12.646 14.232 -1.483 1.00 1.48 H new ATOM 0 HB3 GLU A 135 12.312 15.707 -0.598 1.00 1.48 H new ATOM 0 HG2 GLU A 135 10.150 13.781 -1.505 1.00 1.58 H new ATOM 0 HG3 GLU A 135 10.929 13.689 0.062 1.00 1.58 H new ATOM 2262 N GLU A 136 11.253 18.104 -2.828 1.00 1.46 N ATOM 2263 CA GLU A 136 11.550 19.518 -2.697 1.00 1.52 C ATOM 2264 C GLU A 136 11.621 19.913 -1.228 1.00 1.52 C ATOM 2265 O GLU A 136 12.230 20.923 -0.872 1.00 1.59 O ATOM 2266 CB GLU A 136 10.472 20.332 -3.410 1.00 1.67 C ATOM 2267 CG GLU A 136 9.066 20.065 -2.893 1.00 1.73 C ATOM 2268 CD GLU A 136 8.032 20.971 -3.518 1.00 1.93 C ATOM 2269 OE1 GLU A 136 7.635 20.723 -4.678 1.00 1.99 O ATOM 2270 OE2 GLU A 136 7.601 21.932 -2.851 1.00 2.12 O ATOM 0 H GLU A 136 10.308 17.905 -3.157 1.00 1.46 H new ATOM 0 HA GLU A 136 12.518 19.722 -3.154 1.00 1.52 H new ATOM 0 HB2 GLU A 136 10.696 21.393 -3.298 1.00 1.67 H new ATOM 0 HB3 GLU A 136 10.506 20.110 -4.477 1.00 1.67 H new ATOM 0 HG2 GLU A 136 8.801 19.027 -3.093 1.00 1.73 H new ATOM 0 HG3 GLU A 136 9.051 20.195 -1.811 1.00 1.73 H new ATOM 2277 N LYS A 137 10.998 19.102 -0.379 1.00 1.53 N ATOM 2278 CA LYS A 137 10.965 19.372 1.049 1.00 1.61 C ATOM 2279 C LYS A 137 12.243 18.855 1.697 1.00 1.55 C ATOM 2280 O LYS A 137 13.048 19.623 2.222 1.00 1.63 O ATOM 2281 CB LYS A 137 9.753 18.694 1.702 1.00 1.72 C ATOM 2282 CG LYS A 137 8.496 18.699 0.844 1.00 1.83 C ATOM 2283 CD LYS A 137 7.322 18.062 1.574 1.00 2.14 C ATOM 2284 CE LYS A 137 6.194 17.704 0.617 1.00 2.31 C ATOM 2285 NZ LYS A 137 6.488 16.466 -0.157 1.00 2.98 N ATOM 0 H LYS A 137 10.509 18.252 -0.659 1.00 1.53 H new ATOM 0 HA LYS A 137 10.885 20.449 1.195 1.00 1.61 H new ATOM 0 HB2 LYS A 137 10.013 17.662 1.940 1.00 1.72 H new ATOM 0 HB3 LYS A 137 9.537 19.194 2.646 1.00 1.72 H new ATOM 0 HG2 LYS A 137 8.244 19.724 0.571 1.00 1.83 H new ATOM 0 HG3 LYS A 137 8.685 18.160 -0.084 1.00 1.83 H new ATOM 0 HD2 LYS A 137 7.659 17.164 2.092 1.00 2.14 H new ATOM 0 HD3 LYS A 137 6.950 18.748 2.335 1.00 2.14 H new ATOM 0 HE2 LYS A 137 5.271 17.568 1.180 1.00 2.31 H new ATOM 0 HE3 LYS A 137 6.028 18.531 -0.073 1.00 2.31 H new ATOM 0 HZ1 LYS A 137 5.743 16.315 -0.867 1.00 2.98 H new ATOM 0 HZ2 LYS A 137 7.406 16.565 -0.635 1.00 2.98 H new ATOM 0 HZ3 LYS A 137 6.520 15.652 0.489 1.00 2.98 H new ATOM 2299 N LYS A 138 12.410 17.541 1.662 1.00 1.47 N ATOM 2300 CA LYS A 138 13.593 16.896 2.217 1.00 1.45 C ATOM 2301 C LYS A 138 14.829 17.111 1.354 1.00 1.34 C ATOM 2302 O LYS A 138 15.806 17.718 1.792 1.00 1.43 O ATOM 2303 CB LYS A 138 13.346 15.398 2.331 1.00 1.48 C ATOM 2304 CG LYS A 138 12.059 15.059 3.038 1.00 1.52 C ATOM 2305 CD LYS A 138 11.744 13.586 2.947 1.00 1.58 C ATOM 2306 CE LYS A 138 10.408 13.313 3.585 1.00 1.42 C ATOM 2307 NZ LYS A 138 9.268 13.712 2.714 1.00 1.76 N ATOM 0 H LYS A 138 11.735 16.895 1.252 1.00 1.47 H new ATOM 0 HA LYS A 138 13.775 17.344 3.194 1.00 1.45 H new ATOM 0 HB2 LYS A 138 13.330 14.962 1.332 1.00 1.48 H new ATOM 0 HB3 LYS A 138 14.178 14.939 2.865 1.00 1.48 H new ATOM 0 HG2 LYS A 138 12.131 15.352 4.085 1.00 1.52 H new ATOM 0 HG3 LYS A 138 11.242 15.634 2.602 1.00 1.52 H new ATOM 0 HD2 LYS A 138 11.731 13.271 1.904 1.00 1.58 H new ATOM 0 HD3 LYS A 138 12.521 13.007 3.445 1.00 1.58 H new ATOM 0 HE2 LYS A 138 10.330 12.251 3.816 1.00 1.42 H new ATOM 0 HE3 LYS A 138 10.344 13.851 4.531 1.00 1.42 H new ATOM 0 HZ1 LYS A 138 8.532 14.165 3.292 1.00 1.76 H new ATOM 0 HZ2 LYS A 138 9.601 14.381 1.991 1.00 1.76 H new ATOM 0 HZ3 LYS A 138 8.874 12.869 2.250 1.00 1.76 H new ATOM 2321 N ASP A 169 14.754 16.623 0.116 1.00 1.23 N ATOM 2322 CA ASP A 169 15.931 16.429 -0.727 1.00 1.18 C ATOM 2323 C ASP A 169 16.960 15.611 0.032 1.00 1.11 C ATOM 2324 O ASP A 169 18.034 16.093 0.386 1.00 1.30 O ATOM 2325 CB ASP A 169 16.532 17.756 -1.207 1.00 1.35 C ATOM 2326 CG ASP A 169 17.661 17.551 -2.205 1.00 1.44 C ATOM 2327 OD1 ASP A 169 17.378 17.212 -3.375 1.00 1.48 O ATOM 2328 OD2 ASP A 169 18.840 17.728 -1.825 1.00 1.59 O ATOM 0 H ASP A 169 13.877 16.352 -0.329 1.00 1.23 H new ATOM 0 HA ASP A 169 15.622 15.891 -1.623 1.00 1.18 H new ATOM 0 HB2 ASP A 169 15.750 18.362 -1.666 1.00 1.35 H new ATOM 0 HB3 ASP A 169 16.906 18.315 -0.349 1.00 1.35 H new ATOM 2333 N GLU A 170 16.589 14.380 0.341 1.00 0.96 N ATOM 2334 CA GLU A 170 17.463 13.487 1.074 1.00 0.90 C ATOM 2335 C GLU A 170 17.650 12.173 0.336 1.00 0.78 C ATOM 2336 O GLU A 170 16.963 11.885 -0.664 1.00 0.77 O ATOM 2337 CB GLU A 170 16.892 13.191 2.461 1.00 0.98 C ATOM 2338 CG GLU A 170 16.802 14.392 3.381 1.00 1.24 C ATOM 2339 CD GLU A 170 16.268 14.009 4.744 1.00 1.90 C ATOM 2340 OE1 GLU A 170 17.044 13.488 5.568 1.00 2.27 O ATOM 2341 OE2 GLU A 170 15.071 14.252 5.009 1.00 2.57 O ATOM 0 H GLU A 170 15.685 13.978 0.094 1.00 0.96 H new ATOM 0 HA GLU A 170 18.427 13.987 1.170 1.00 0.90 H new ATOM 0 HB2 GLU A 170 15.896 12.765 2.345 1.00 0.98 H new ATOM 0 HB3 GLU A 170 17.510 12.431 2.938 1.00 0.98 H new ATOM 0 HG2 GLU A 170 17.788 14.843 3.489 1.00 1.24 H new ATOM 0 HG3 GLU A 170 16.154 15.146 2.934 1.00 1.24 H new ATOM 2348 N LEU A 171 18.580 11.379 0.855 1.00 0.73 N ATOM 2349 CA LEU A 171 18.765 10.012 0.410 1.00 0.67 C ATOM 2350 C LEU A 171 17.705 9.146 1.044 1.00 0.62 C ATOM 2351 O LEU A 171 17.480 8.031 0.621 1.00 0.57 O ATOM 2352 CB LEU A 171 20.140 9.479 0.814 1.00 0.71 C ATOM 2353 CG LEU A 171 21.314 10.371 0.446 1.00 0.77 C ATOM 2354 CD1 LEU A 171 22.630 9.691 0.788 1.00 0.86 C ATOM 2355 CD2 LEU A 171 21.259 10.723 -1.027 1.00 0.74 C ATOM 0 H LEU A 171 19.222 11.668 1.593 1.00 0.73 H new ATOM 0 HA LEU A 171 18.689 9.990 -0.677 1.00 0.67 H new ATOM 0 HB2 LEU A 171 20.148 9.321 1.893 1.00 0.71 H new ATOM 0 HB3 LEU A 171 20.285 8.504 0.348 1.00 0.71 H new ATOM 0 HG LEU A 171 21.249 11.292 1.026 1.00 0.77 H new ATOM 0 HD11 LEU A 171 23.459 10.345 0.517 1.00 0.86 H new ATOM 0 HD12 LEU A 171 22.665 9.484 1.858 1.00 0.86 H new ATOM 0 HD13 LEU A 171 22.711 8.755 0.235 1.00 0.86 H new ATOM 0 HD21 LEU A 171 22.105 11.362 -1.280 1.00 0.74 H new ATOM 0 HD22 LEU A 171 21.304 9.810 -1.621 1.00 0.74 H new ATOM 0 HD23 LEU A 171 20.329 11.250 -1.241 1.00 0.74 H new ATOM 2367 N ASN A 172 17.084 9.680 2.089 1.00 0.65 N ATOM 2368 CA ASN A 172 16.024 8.994 2.812 1.00 0.63 C ATOM 2369 C ASN A 172 16.431 7.578 3.169 1.00 0.57 C ATOM 2370 O ASN A 172 15.983 6.617 2.541 1.00 0.53 O ATOM 2371 CB ASN A 172 14.726 8.972 2.003 1.00 0.65 C ATOM 2372 CG ASN A 172 14.146 10.349 1.783 1.00 0.75 C ATOM 2373 OD1 ASN A 172 13.509 10.922 2.665 1.00 0.90 O ATOM 2374 ND2 ASN A 172 14.327 10.869 0.586 1.00 0.80 N ATOM 0 H ASN A 172 17.304 10.605 2.459 1.00 0.65 H new ATOM 0 HA ASN A 172 15.851 9.550 3.733 1.00 0.63 H new ATOM 0 HB2 ASN A 172 14.914 8.504 1.037 1.00 0.65 H new ATOM 0 HB3 ASN A 172 13.993 8.353 2.519 1.00 0.65 H new ATOM 0 HD21 ASN A 172 13.931 11.782 0.361 1.00 0.80 H new ATOM 0 HD22 ASN A 172 14.863 10.359 -0.116 1.00 0.80 H new ATOM 2381 N TRP A 173 17.263 7.440 4.183 1.00 0.58 N ATOM 2382 CA TRP A 173 17.725 6.134 4.598 1.00 0.55 C ATOM 2383 C TRP A 173 16.739 5.563 5.611 1.00 0.54 C ATOM 2384 O TRP A 173 16.814 5.865 6.805 1.00 0.61 O ATOM 2385 CB TRP A 173 19.125 6.232 5.207 1.00 0.60 C ATOM 2386 CG TRP A 173 20.233 6.104 4.212 1.00 0.63 C ATOM 2387 CD1 TRP A 173 20.676 7.062 3.351 1.00 0.72 C ATOM 2388 CD2 TRP A 173 21.048 4.950 3.988 1.00 0.64 C ATOM 2389 NE1 TRP A 173 21.716 6.576 2.600 1.00 0.78 N ATOM 2390 CE2 TRP A 173 21.964 5.281 2.971 1.00 0.73 C ATOM 2391 CE3 TRP A 173 21.094 3.669 4.545 1.00 0.65 C ATOM 2392 CZ2 TRP A 173 22.914 4.379 2.504 1.00 0.80 C ATOM 2393 CZ3 TRP A 173 22.038 2.775 4.079 1.00 0.73 C ATOM 2394 CH2 TRP A 173 22.938 3.134 3.068 1.00 0.79 C ATOM 0 H TRP A 173 17.631 8.216 4.733 1.00 0.58 H new ATOM 0 HA TRP A 173 17.782 5.473 3.733 1.00 0.55 H new ATOM 0 HB2 TRP A 173 19.220 7.189 5.720 1.00 0.60 H new ATOM 0 HB3 TRP A 173 19.237 5.453 5.962 1.00 0.60 H new ATOM 0 HD1 TRP A 173 20.268 8.059 3.271 1.00 0.72 H new ATOM 0 HE1 TRP A 173 22.222 7.095 1.882 1.00 0.78 H new ATOM 0 HE3 TRP A 173 20.404 3.383 5.325 1.00 0.65 H new ATOM 0 HZ2 TRP A 173 23.608 4.653 1.723 1.00 0.80 H new ATOM 0 HZ3 TRP A 173 22.083 1.782 4.502 1.00 0.73 H new ATOM 0 HH2 TRP A 173 23.666 2.413 2.727 1.00 0.79 H new ATOM 2405 N LEU A 174 15.791 4.786 5.113 1.00 0.49 N ATOM 2406 CA LEU A 174 14.754 4.194 5.941 1.00 0.49 C ATOM 2407 C LEU A 174 15.372 3.259 6.959 1.00 0.53 C ATOM 2408 O LEU A 174 16.059 2.295 6.598 1.00 0.56 O ATOM 2409 CB LEU A 174 13.757 3.407 5.094 1.00 0.48 C ATOM 2410 CG LEU A 174 13.112 4.150 3.927 1.00 0.50 C ATOM 2411 CD1 LEU A 174 12.009 3.289 3.340 1.00 0.52 C ATOM 2412 CD2 LEU A 174 12.571 5.509 4.357 1.00 0.54 C ATOM 0 H LEU A 174 15.719 4.548 4.124 1.00 0.49 H new ATOM 0 HA LEU A 174 14.230 5.005 6.447 1.00 0.49 H new ATOM 0 HB2 LEU A 174 14.266 2.528 4.698 1.00 0.48 H new ATOM 0 HB3 LEU A 174 12.963 3.048 5.749 1.00 0.48 H new ATOM 0 HG LEU A 174 13.871 4.337 3.167 1.00 0.50 H new ATOM 0 HD11 LEU A 174 11.543 3.813 2.506 1.00 0.52 H new ATOM 0 HD12 LEU A 174 12.431 2.348 2.987 1.00 0.52 H new ATOM 0 HD13 LEU A 174 11.259 3.087 4.105 1.00 0.52 H new ATOM 0 HD21 LEU A 174 12.119 6.009 3.500 1.00 0.54 H new ATOM 0 HD22 LEU A 174 11.820 5.372 5.135 1.00 0.54 H new ATOM 0 HD23 LEU A 174 13.387 6.119 4.744 1.00 0.54 H new ATOM 2424 N ASP A 175 15.092 3.522 8.222 1.00 0.61 N ATOM 2425 CA ASP A 175 15.742 2.807 9.309 1.00 0.72 C ATOM 2426 C ASP A 175 14.871 1.662 9.809 1.00 0.68 C ATOM 2427 O ASP A 175 15.062 1.155 10.915 1.00 0.75 O ATOM 2428 CB ASP A 175 16.082 3.773 10.442 1.00 0.93 C ATOM 2429 CG ASP A 175 17.173 3.242 11.348 1.00 1.83 C ATOM 2430 OD1 ASP A 175 18.155 2.667 10.826 1.00 2.56 O ATOM 2431 OD2 ASP A 175 17.062 3.405 12.581 1.00 2.37 O ATOM 0 H ASP A 175 14.418 4.226 8.523 1.00 0.61 H new ATOM 0 HA ASP A 175 16.669 2.374 8.933 1.00 0.72 H new ATOM 0 HB2 ASP A 175 16.397 4.727 10.020 1.00 0.93 H new ATOM 0 HB3 ASP A 175 15.186 3.966 11.032 1.00 0.93 H new ATOM 2436 N HIS A 176 13.932 1.243 8.964 1.00 0.66 N ATOM 2437 CA HIS A 176 13.041 0.127 9.276 1.00 0.71 C ATOM 2438 C HIS A 176 12.210 0.430 10.512 1.00 0.83 C ATOM 2439 O HIS A 176 12.093 -0.397 11.417 1.00 1.10 O ATOM 2440 CB HIS A 176 13.831 -1.173 9.484 1.00 0.71 C ATOM 2441 CG HIS A 176 14.536 -1.655 8.257 1.00 0.69 C ATOM 2442 ND1 HIS A 176 13.907 -2.363 7.264 1.00 0.77 N ATOM 2443 CD2 HIS A 176 15.820 -1.514 7.862 1.00 0.67 C ATOM 2444 CE1 HIS A 176 14.770 -2.636 6.307 1.00 0.76 C ATOM 2445 NE2 HIS A 176 15.948 -2.136 6.643 1.00 0.69 N ATOM 0 H HIS A 176 13.767 1.664 8.050 1.00 0.66 H new ATOM 0 HA HIS A 176 12.373 -0.007 8.425 1.00 0.71 H new ATOM 0 HB2 HIS A 176 14.564 -1.019 10.276 1.00 0.71 H new ATOM 0 HB3 HIS A 176 13.149 -1.950 9.828 1.00 0.71 H new ATOM 0 HD2 HIS A 176 16.603 -1.005 8.405 1.00 0.67 H new ATOM 0 HE1 HIS A 176 14.552 -3.178 5.399 1.00 0.76 H new ATOM 0 HE2 HIS A 176 16.804 -2.201 6.092 1.00 0.69 H new ATOM 2454 N GLY A 177 11.617 1.609 10.536 1.00 0.82 N ATOM 2455 CA GLY A 177 10.850 2.006 11.698 1.00 0.96 C ATOM 2456 C GLY A 177 9.660 2.866 11.347 1.00 1.00 C ATOM 2457 O GLY A 177 8.648 2.854 12.050 1.00 1.34 O ATOM 0 H GLY A 177 11.650 2.294 9.781 1.00 0.82 H new ATOM 0 HA2 GLY A 177 10.506 1.115 12.223 1.00 0.96 H new ATOM 0 HA3 GLY A 177 11.497 2.551 12.386 1.00 0.96 H new ATOM 2461 N ARG A 178 9.775 3.616 10.266 1.00 0.90 N ATOM 2462 CA ARG A 178 8.708 4.516 9.861 1.00 0.99 C ATOM 2463 C ARG A 178 7.905 3.939 8.703 1.00 0.87 C ATOM 2464 O ARG A 178 8.462 3.298 7.810 1.00 0.86 O ATOM 2465 CB ARG A 178 9.291 5.870 9.469 1.00 1.22 C ATOM 2466 CG ARG A 178 8.246 6.874 9.027 1.00 1.27 C ATOM 2467 CD ARG A 178 8.859 8.231 8.748 1.00 1.18 C ATOM 2468 NE ARG A 178 9.556 8.760 9.912 1.00 1.23 N ATOM 2469 CZ ARG A 178 9.309 9.953 10.449 1.00 1.74 C ATOM 2470 NH1 ARG A 178 8.384 10.749 9.921 1.00 2.16 N ATOM 2471 NH2 ARG A 178 9.983 10.357 11.518 1.00 2.18 N ATOM 0 H ARG A 178 10.592 3.621 9.655 1.00 0.90 H new ATOM 0 HA ARG A 178 8.033 4.643 10.708 1.00 0.99 H new ATOM 0 HB2 ARG A 178 9.840 6.279 10.317 1.00 1.22 H new ATOM 0 HB3 ARG A 178 10.010 5.727 8.662 1.00 1.22 H new ATOM 0 HG2 ARG A 178 7.746 6.509 8.130 1.00 1.27 H new ATOM 0 HG3 ARG A 178 7.484 6.971 9.800 1.00 1.27 H new ATOM 0 HD2 ARG A 178 9.555 8.150 7.913 1.00 1.18 H new ATOM 0 HD3 ARG A 178 8.077 8.928 8.445 1.00 1.18 H new ATOM 0 HE ARG A 178 10.277 8.181 10.342 1.00 1.23 H new ATOM 0 HH11 ARG A 178 7.859 10.447 9.100 1.00 2.16 H new ATOM 0 HH12 ARG A 178 8.199 11.662 10.337 1.00 2.16 H new ATOM 0 HH21 ARG A 178 10.693 9.753 11.931 1.00 2.18 H new ATOM 0 HH22 ARG A 178 9.791 11.272 11.926 1.00 2.18 H new ATOM 2485 N THR A 179 6.597 4.171 8.724 1.00 0.91 N ATOM 2486 CA THR A 179 5.732 3.746 7.635 1.00 0.89 C ATOM 2487 C THR A 179 5.813 4.734 6.476 1.00 0.86 C ATOM 2488 O THR A 179 6.145 5.905 6.664 1.00 0.91 O ATOM 2489 CB THR A 179 4.270 3.572 8.097 1.00 1.05 C ATOM 2490 OG1 THR A 179 3.445 3.143 7.008 1.00 1.20 O ATOM 2491 CG2 THR A 179 3.718 4.858 8.686 1.00 1.11 C ATOM 0 H THR A 179 6.115 4.651 9.484 1.00 0.91 H new ATOM 0 HA THR A 179 6.085 2.772 7.296 1.00 0.89 H new ATOM 0 HB THR A 179 4.261 2.808 8.875 1.00 1.05 H new ATOM 0 HG1 THR A 179 2.522 3.036 7.319 1.00 1.20 H new ATOM 0 HG21 THR A 179 2.687 4.700 9.001 1.00 1.11 H new ATOM 0 HG22 THR A 179 4.320 5.152 9.546 1.00 1.11 H new ATOM 0 HG23 THR A 179 3.751 5.646 7.934 1.00 1.11 H new ATOM 2499 N LEU A 180 5.464 4.257 5.295 1.00 0.84 N ATOM 2500 CA LEU A 180 5.787 4.925 4.042 1.00 0.84 C ATOM 2501 C LEU A 180 5.093 6.280 3.891 1.00 0.93 C ATOM 2502 O LEU A 180 5.741 7.281 3.590 1.00 0.97 O ATOM 2503 CB LEU A 180 5.432 3.987 2.893 1.00 0.85 C ATOM 2504 CG LEU A 180 5.965 2.564 3.083 1.00 0.83 C ATOM 2505 CD1 LEU A 180 5.568 1.670 1.926 1.00 1.08 C ATOM 2506 CD2 LEU A 180 7.474 2.576 3.263 1.00 0.90 C ATOM 0 H LEU A 180 4.944 3.388 5.175 1.00 0.84 H new ATOM 0 HA LEU A 180 6.854 5.146 4.032 1.00 0.84 H new ATOM 0 HB2 LEU A 180 4.348 3.950 2.786 1.00 0.85 H new ATOM 0 HB3 LEU A 180 5.830 4.395 1.964 1.00 0.85 H new ATOM 0 HG LEU A 180 5.515 2.156 3.988 1.00 0.83 H new ATOM 0 HD11 LEU A 180 5.961 0.667 2.090 1.00 1.08 H new ATOM 0 HD12 LEU A 180 4.481 1.627 1.856 1.00 1.08 H new ATOM 0 HD13 LEU A 180 5.976 2.072 0.999 1.00 1.08 H new ATOM 0 HD21 LEU A 180 7.833 1.555 3.396 1.00 0.90 H new ATOM 0 HD22 LEU A 180 7.942 3.013 2.381 1.00 0.90 H new ATOM 0 HD23 LEU A 180 7.731 3.169 4.141 1.00 0.90 H new ATOM 2518 N ARG A 181 3.786 6.318 4.104 1.00 1.02 N ATOM 2519 CA ARG A 181 3.044 7.578 4.035 1.00 1.13 C ATOM 2520 C ARG A 181 3.566 8.574 5.061 1.00 1.18 C ATOM 2521 O ARG A 181 3.638 9.771 4.802 1.00 1.36 O ATOM 2522 CB ARG A 181 1.563 7.335 4.277 1.00 1.22 C ATOM 2523 CG ARG A 181 0.782 6.966 3.033 1.00 1.15 C ATOM 2524 CD ARG A 181 -0.513 6.284 3.411 1.00 0.69 C ATOM 2525 NE ARG A 181 -0.281 4.885 3.770 1.00 1.10 N ATOM 2526 CZ ARG A 181 -0.361 4.397 5.006 1.00 2.02 C ATOM 2527 NH1 ARG A 181 -0.746 5.175 6.015 1.00 2.54 N ATOM 2528 NH2 ARG A 181 -0.052 3.127 5.231 1.00 2.64 N ATOM 0 H ARG A 181 3.217 5.501 4.325 1.00 1.02 H new ATOM 0 HA ARG A 181 3.185 7.993 3.037 1.00 1.13 H new ATOM 0 HB2 ARG A 181 1.453 6.537 5.011 1.00 1.22 H new ATOM 0 HB3 ARG A 181 1.126 8.233 4.714 1.00 1.22 H new ATOM 0 HG2 ARG A 181 0.572 7.861 2.448 1.00 1.15 H new ATOM 0 HG3 ARG A 181 1.378 6.306 2.403 1.00 1.15 H new ATOM 0 HD2 ARG A 181 -0.973 6.807 4.249 1.00 0.69 H new ATOM 0 HD3 ARG A 181 -1.214 6.338 2.578 1.00 0.69 H new ATOM 0 HE ARG A 181 -0.041 4.237 3.020 1.00 1.10 H new ATOM 0 HH11 ARG A 181 -0.982 6.152 5.844 1.00 2.54 H new ATOM 0 HH12 ARG A 181 -0.805 4.794 6.959 1.00 2.54 H new ATOM 0 HH21 ARG A 181 0.245 2.530 4.459 1.00 2.64 H new ATOM 0 HH22 ARG A 181 -0.111 2.747 6.176 1.00 2.64 H new ATOM 2542 N GLU A 182 3.963 8.055 6.212 1.00 1.11 N ATOM 2543 CA GLU A 182 4.427 8.879 7.317 1.00 1.18 C ATOM 2544 C GLU A 182 5.825 9.430 7.022 1.00 1.16 C ATOM 2545 O GLU A 182 6.305 10.353 7.684 1.00 1.25 O ATOM 2546 CB GLU A 182 4.401 8.037 8.598 1.00 1.25 C ATOM 2547 CG GLU A 182 5.110 8.643 9.793 1.00 1.34 C ATOM 2548 CD GLU A 182 4.831 7.886 11.072 1.00 1.89 C ATOM 2549 OE1 GLU A 182 5.582 6.938 11.381 1.00 2.30 O ATOM 2550 OE2 GLU A 182 3.855 8.231 11.770 1.00 2.31 O ATOM 0 H GLU A 182 3.973 7.054 6.406 1.00 1.11 H new ATOM 0 HA GLU A 182 3.771 9.739 7.450 1.00 1.18 H new ATOM 0 HB2 GLU A 182 3.362 7.853 8.870 1.00 1.25 H new ATOM 0 HB3 GLU A 182 4.851 7.068 8.384 1.00 1.25 H new ATOM 0 HG2 GLU A 182 6.184 8.655 9.608 1.00 1.34 H new ATOM 0 HG3 GLU A 182 4.796 9.680 9.911 1.00 1.34 H new ATOM 2557 N GLN A 183 6.467 8.865 6.007 1.00 1.07 N ATOM 2558 CA GLN A 183 7.756 9.358 5.543 1.00 1.06 C ATOM 2559 C GLN A 183 7.551 10.541 4.613 1.00 1.13 C ATOM 2560 O GLN A 183 8.484 11.277 4.320 1.00 1.22 O ATOM 2561 CB GLN A 183 8.517 8.267 4.795 1.00 1.00 C ATOM 2562 CG GLN A 183 8.637 6.975 5.577 1.00 1.00 C ATOM 2563 CD GLN A 183 9.080 5.801 4.732 1.00 1.04 C ATOM 2564 OE1 GLN A 183 8.875 5.774 3.518 1.00 1.65 O ATOM 2565 NE2 GLN A 183 9.646 4.798 5.374 1.00 0.81 N ATOM 0 H GLN A 183 6.113 8.061 5.488 1.00 1.07 H new ATOM 0 HA GLN A 183 8.336 9.663 6.414 1.00 1.06 H new ATOM 0 HB2 GLN A 183 8.013 8.066 3.850 1.00 1.00 H new ATOM 0 HB3 GLN A 183 9.516 8.631 4.553 1.00 1.00 H new ATOM 0 HG2 GLN A 183 9.348 7.116 6.391 1.00 1.00 H new ATOM 0 HG3 GLN A 183 7.674 6.743 6.032 1.00 1.00 H new ATOM 0 HE21 GLN A 183 9.799 4.858 6.381 1.00 0.81 H new ATOM 0 HE22 GLN A 183 9.931 3.962 4.864 1.00 0.81 H new ATOM 2574 N GLY A 184 6.318 10.712 4.145 1.00 1.16 N ATOM 2575 CA GLY A 184 6.034 11.750 3.176 1.00 1.28 C ATOM 2576 C GLY A 184 6.727 11.481 1.859 1.00 1.23 C ATOM 2577 O GLY A 184 7.220 12.402 1.206 1.00 1.38 O ATOM 0 H GLY A 184 5.513 10.150 4.420 1.00 1.16 H new ATOM 0 HA2 GLY A 184 4.958 11.815 3.016 1.00 1.28 H new ATOM 0 HA3 GLY A 184 6.357 12.714 3.568 1.00 1.28 H new ATOM 2581 N VAL A 185 6.804 10.209 1.493 1.00 1.10 N ATOM 2582 CA VAL A 185 7.424 9.813 0.241 1.00 1.08 C ATOM 2583 C VAL A 185 6.385 9.663 -0.866 1.00 1.02 C ATOM 2584 O VAL A 185 5.189 9.848 -0.642 1.00 1.15 O ATOM 2585 CB VAL A 185 8.208 8.494 0.395 1.00 1.13 C ATOM 2586 CG1 VAL A 185 9.310 8.653 1.431 1.00 1.31 C ATOM 2587 CG2 VAL A 185 7.275 7.349 0.770 1.00 1.14 C ATOM 0 H VAL A 185 6.443 9.433 2.049 1.00 1.10 H new ATOM 0 HA VAL A 185 8.121 10.605 -0.034 1.00 1.08 H new ATOM 0 HB VAL A 185 8.667 8.252 -0.564 1.00 1.13 H new ATOM 0 HG11 VAL A 185 9.855 7.714 1.529 1.00 1.31 H new ATOM 0 HG12 VAL A 185 9.996 9.439 1.115 1.00 1.31 H new ATOM 0 HG13 VAL A 185 8.870 8.919 2.392 1.00 1.31 H new ATOM 0 HG21 VAL A 185 7.851 6.429 0.873 1.00 1.14 H new ATOM 0 HG22 VAL A 185 6.782 7.576 1.715 1.00 1.14 H new ATOM 0 HG23 VAL A 185 6.524 7.221 -0.010 1.00 1.14 H new ATOM 2597 N GLU A 186 6.858 9.319 -2.051 1.00 0.93 N ATOM 2598 CA GLU A 186 6.017 9.189 -3.228 1.00 0.92 C ATOM 2599 C GLU A 186 5.987 7.727 -3.704 1.00 0.83 C ATOM 2600 O GLU A 186 6.388 6.821 -2.965 1.00 0.82 O ATOM 2601 CB GLU A 186 6.550 10.130 -4.326 1.00 1.02 C ATOM 2602 CG GLU A 186 8.069 10.236 -4.367 1.00 1.46 C ATOM 2603 CD GLU A 186 8.741 8.885 -4.266 1.00 2.45 C ATOM 2604 OE1 GLU A 186 8.687 8.118 -5.248 1.00 2.97 O ATOM 2605 OE2 GLU A 186 9.365 8.612 -3.230 1.00 3.02 O ATOM 0 H GLU A 186 7.843 9.121 -2.225 1.00 0.93 H new ATOM 0 HA GLU A 186 4.992 9.473 -2.988 1.00 0.92 H new ATOM 0 HB2 GLU A 186 6.194 9.779 -5.295 1.00 1.02 H new ATOM 0 HB3 GLU A 186 6.131 11.124 -4.173 1.00 1.02 H new ATOM 0 HG2 GLU A 186 8.372 10.722 -5.294 1.00 1.46 H new ATOM 0 HG3 GLU A 186 8.409 10.871 -3.549 1.00 1.46 H new ATOM 2612 N GLU A 187 5.508 7.495 -4.923 1.00 0.89 N ATOM 2613 CA GLU A 187 5.448 6.152 -5.487 1.00 0.91 C ATOM 2614 C GLU A 187 6.158 6.073 -6.846 1.00 0.91 C ATOM 2615 O GLU A 187 5.768 5.269 -7.693 1.00 1.14 O ATOM 2616 CB GLU A 187 3.986 5.751 -5.692 1.00 1.05 C ATOM 2617 CG GLU A 187 3.118 5.840 -4.450 1.00 1.11 C ATOM 2618 CD GLU A 187 1.645 5.690 -4.773 1.00 1.36 C ATOM 2619 OE1 GLU A 187 1.145 4.545 -4.784 1.00 1.72 O ATOM 2620 OE2 GLU A 187 0.983 6.718 -5.038 1.00 1.86 O ATOM 0 H GLU A 187 5.154 8.225 -5.541 1.00 0.89 H new ATOM 0 HA GLU A 187 5.947 5.481 -4.788 1.00 0.91 H new ATOM 0 HB2 GLU A 187 3.555 6.387 -6.465 1.00 1.05 H new ATOM 0 HB3 GLU A 187 3.954 4.728 -6.067 1.00 1.05 H new ATOM 0 HG2 GLU A 187 3.415 5.064 -3.744 1.00 1.11 H new ATOM 0 HG3 GLU A 187 3.285 6.799 -3.959 1.00 1.11 H new ATOM 2627 N HIS A 188 7.199 6.876 -7.072 1.00 0.92 N ATOM 2628 CA HIS A 188 7.774 6.946 -8.420 1.00 0.95 C ATOM 2629 C HIS A 188 9.297 7.163 -8.468 1.00 0.92 C ATOM 2630 O HIS A 188 9.903 6.959 -9.519 1.00 1.01 O ATOM 2631 CB HIS A 188 7.067 8.034 -9.236 1.00 1.04 C ATOM 2632 CG HIS A 188 7.197 9.423 -8.683 1.00 1.03 C ATOM 2633 ND1 HIS A 188 6.226 10.022 -7.914 1.00 1.09 N ATOM 2634 CD2 HIS A 188 8.178 10.343 -8.820 1.00 1.08 C ATOM 2635 CE1 HIS A 188 6.602 11.246 -7.608 1.00 1.14 C ATOM 2636 NE2 HIS A 188 7.785 11.472 -8.147 1.00 1.15 N ATOM 0 H HIS A 188 7.648 7.466 -6.372 1.00 0.92 H new ATOM 0 HA HIS A 188 7.607 5.961 -8.856 1.00 0.95 H new ATOM 0 HB2 HIS A 188 7.466 8.024 -10.250 1.00 1.04 H new ATOM 0 HB3 HIS A 188 6.008 7.784 -9.307 1.00 1.04 H new ATOM 0 HD1 HIS A 188 5.350 9.585 -7.626 1.00 1.09 H new ATOM 0 HD2 HIS A 188 9.103 10.213 -9.361 1.00 1.08 H new ATOM 0 HE1 HIS A 188 6.036 11.949 -7.014 1.00 1.14 H new ATOM 2645 N GLU A 189 9.914 7.567 -7.368 1.00 0.89 N ATOM 2646 CA GLU A 189 11.348 7.858 -7.365 1.00 0.92 C ATOM 2647 C GLU A 189 12.184 6.597 -7.192 1.00 0.78 C ATOM 2648 O GLU A 189 11.659 5.531 -6.867 1.00 0.74 O ATOM 2649 CB GLU A 189 11.691 8.860 -6.267 1.00 1.10 C ATOM 2650 CG GLU A 189 11.240 10.273 -6.578 1.00 1.37 C ATOM 2651 CD GLU A 189 11.858 10.794 -7.858 1.00 1.82 C ATOM 2652 OE1 GLU A 189 13.051 11.153 -7.843 1.00 2.38 O ATOM 2653 OE2 GLU A 189 11.151 10.850 -8.883 1.00 2.34 O ATOM 0 H GLU A 189 9.452 7.702 -6.469 1.00 0.89 H new ATOM 0 HA GLU A 189 11.589 8.290 -8.336 1.00 0.92 H new ATOM 0 HB2 GLU A 189 11.230 8.537 -5.334 1.00 1.10 H new ATOM 0 HB3 GLU A 189 12.769 8.858 -6.107 1.00 1.10 H new ATOM 0 HG2 GLU A 189 10.154 10.297 -6.663 1.00 1.37 H new ATOM 0 HG3 GLU A 189 11.509 10.930 -5.751 1.00 1.37 H new ATOM 2660 N THR A 190 13.482 6.723 -7.444 1.00 0.74 N ATOM 2661 CA THR A 190 14.399 5.602 -7.335 1.00 0.66 C ATOM 2662 C THR A 190 14.747 5.300 -5.883 1.00 0.57 C ATOM 2663 O THR A 190 15.261 6.155 -5.160 1.00 0.61 O ATOM 2664 CB THR A 190 15.698 5.888 -8.107 1.00 0.70 C ATOM 2665 OG1 THR A 190 15.389 6.550 -9.343 1.00 0.81 O ATOM 2666 CG2 THR A 190 16.451 4.597 -8.396 1.00 0.66 C ATOM 0 H THR A 190 13.922 7.598 -7.727 1.00 0.74 H new ATOM 0 HA THR A 190 13.895 4.736 -7.764 1.00 0.66 H new ATOM 0 HB THR A 190 16.330 6.529 -7.493 1.00 0.70 H new ATOM 0 HG1 THR A 190 16.218 6.733 -9.832 1.00 0.81 H new ATOM 0 HG21 THR A 190 17.366 4.824 -8.943 1.00 0.66 H new ATOM 0 HG22 THR A 190 16.702 4.104 -7.457 1.00 0.66 H new ATOM 0 HG23 THR A 190 15.824 3.937 -8.996 1.00 0.66 H new ATOM 2674 N LEU A 191 14.481 4.076 -5.465 1.00 0.48 N ATOM 2675 CA LEU A 191 14.833 3.642 -4.128 1.00 0.42 C ATOM 2676 C LEU A 191 15.970 2.638 -4.247 1.00 0.39 C ATOM 2677 O LEU A 191 15.937 1.759 -5.106 1.00 0.38 O ATOM 2678 CB LEU A 191 13.640 2.996 -3.396 1.00 0.41 C ATOM 2679 CG LEU A 191 12.298 3.754 -3.429 1.00 0.51 C ATOM 2680 CD1 LEU A 191 12.500 5.257 -3.388 1.00 1.01 C ATOM 2681 CD2 LEU A 191 11.476 3.357 -4.644 1.00 0.82 C ATOM 0 H LEU A 191 14.022 3.365 -6.034 1.00 0.48 H new ATOM 0 HA LEU A 191 15.133 4.511 -3.542 1.00 0.42 H new ATOM 0 HB2 LEU A 191 13.479 2.006 -3.822 1.00 0.41 H new ATOM 0 HB3 LEU A 191 13.921 2.853 -2.353 1.00 0.41 H new ATOM 0 HG LEU A 191 11.746 3.470 -2.533 1.00 0.51 H new ATOM 0 HD11 LEU A 191 11.531 5.755 -3.413 1.00 1.01 H new ATOM 0 HD12 LEU A 191 13.024 5.529 -2.472 1.00 1.01 H new ATOM 0 HD13 LEU A 191 13.090 5.568 -4.250 1.00 1.01 H new ATOM 0 HD21 LEU A 191 10.535 3.907 -4.642 1.00 0.82 H new ATOM 0 HD22 LEU A 191 12.032 3.592 -5.552 1.00 0.82 H new ATOM 0 HD23 LEU A 191 11.271 2.287 -4.611 1.00 0.82 H new ATOM 2693 N LEU A 192 16.984 2.765 -3.419 1.00 0.39 N ATOM 2694 CA LEU A 192 18.164 1.933 -3.557 1.00 0.41 C ATOM 2695 C LEU A 192 18.264 0.962 -2.392 1.00 0.40 C ATOM 2696 O LEU A 192 17.991 1.327 -1.247 1.00 0.44 O ATOM 2697 CB LEU A 192 19.417 2.811 -3.592 1.00 0.44 C ATOM 2698 CG LEU A 192 19.273 4.121 -4.366 1.00 0.49 C ATOM 2699 CD1 LEU A 192 20.504 4.985 -4.171 1.00 0.56 C ATOM 2700 CD2 LEU A 192 19.043 3.854 -5.844 1.00 0.50 C ATOM 0 H LEU A 192 17.018 3.431 -2.647 1.00 0.39 H new ATOM 0 HA LEU A 192 18.085 1.369 -4.487 1.00 0.41 H new ATOM 0 HB2 LEU A 192 19.707 3.043 -2.567 1.00 0.44 H new ATOM 0 HB3 LEU A 192 20.232 2.236 -4.031 1.00 0.44 H new ATOM 0 HG LEU A 192 18.405 4.654 -3.978 1.00 0.49 H new ATOM 0 HD11 LEU A 192 20.388 5.915 -4.728 1.00 0.56 H new ATOM 0 HD12 LEU A 192 20.627 5.209 -3.111 1.00 0.56 H new ATOM 0 HD13 LEU A 192 21.383 4.453 -4.533 1.00 0.56 H new ATOM 0 HD21 LEU A 192 18.944 4.801 -6.374 1.00 0.50 H new ATOM 0 HD22 LEU A 192 19.889 3.299 -6.249 1.00 0.50 H new ATOM 0 HD23 LEU A 192 18.131 3.270 -5.971 1.00 0.50 H new ATOM 2712 N LEU A 193 18.616 -0.277 -2.683 1.00 0.43 N ATOM 2713 CA LEU A 193 18.901 -1.242 -1.642 1.00 0.50 C ATOM 2714 C LEU A 193 20.385 -1.166 -1.285 1.00 0.47 C ATOM 2715 O LEU A 193 21.250 -1.381 -2.133 1.00 0.49 O ATOM 2716 CB LEU A 193 18.505 -2.651 -2.116 1.00 0.68 C ATOM 2717 CG LEU A 193 18.574 -3.765 -1.065 1.00 0.44 C ATOM 2718 CD1 LEU A 193 17.641 -4.900 -1.440 1.00 1.09 C ATOM 2719 CD2 LEU A 193 19.986 -4.305 -0.936 1.00 1.03 C ATOM 0 H LEU A 193 18.711 -0.637 -3.633 1.00 0.43 H new ATOM 0 HA LEU A 193 18.319 -1.017 -0.748 1.00 0.50 H new ATOM 0 HB2 LEU A 193 17.487 -2.608 -2.503 1.00 0.68 H new ATOM 0 HB3 LEU A 193 19.152 -2.926 -2.949 1.00 0.68 H new ATOM 0 HG LEU A 193 18.269 -3.339 -0.109 1.00 0.44 H new ATOM 0 HD11 LEU A 193 17.700 -5.684 -0.685 1.00 1.09 H new ATOM 0 HD12 LEU A 193 16.618 -4.527 -1.496 1.00 1.09 H new ATOM 0 HD13 LEU A 193 17.933 -5.306 -2.408 1.00 1.09 H new ATOM 0 HD21 LEU A 193 20.007 -5.094 -0.184 1.00 1.03 H new ATOM 0 HD22 LEU A 193 20.310 -4.709 -1.895 1.00 1.03 H new ATOM 0 HD23 LEU A 193 20.657 -3.500 -0.636 1.00 1.03 H new ATOM 2731 N ARG A 194 20.668 -0.830 -0.037 1.00 0.46 N ATOM 2732 CA ARG A 194 22.041 -0.691 0.429 1.00 0.46 C ATOM 2733 C ARG A 194 22.249 -1.521 1.679 1.00 0.44 C ATOM 2734 O ARG A 194 21.329 -1.684 2.476 1.00 0.49 O ATOM 2735 CB ARG A 194 22.372 0.769 0.738 1.00 0.53 C ATOM 2736 CG ARG A 194 22.313 1.695 -0.464 1.00 0.60 C ATOM 2737 CD ARG A 194 23.392 1.385 -1.481 1.00 0.65 C ATOM 2738 NE ARG A 194 24.737 1.539 -0.929 1.00 0.69 N ATOM 2739 CZ ARG A 194 25.846 1.492 -1.664 1.00 0.95 C ATOM 2740 NH1 ARG A 194 25.778 1.220 -2.963 1.00 1.25 N ATOM 2741 NH2 ARG A 194 27.024 1.702 -1.093 1.00 1.06 N ATOM 0 H ARG A 194 19.962 -0.647 0.676 1.00 0.46 H new ATOM 0 HA ARG A 194 22.701 -1.041 -0.364 1.00 0.46 H new ATOM 0 HB2 ARG A 194 21.678 1.133 1.496 1.00 0.53 H new ATOM 0 HB3 ARG A 194 23.371 0.818 1.170 1.00 0.53 H new ATOM 0 HG2 ARG A 194 21.335 1.610 -0.938 1.00 0.60 H new ATOM 0 HG3 ARG A 194 22.417 2.727 -0.130 1.00 0.60 H new ATOM 0 HD2 ARG A 194 23.265 0.365 -1.842 1.00 0.65 H new ATOM 0 HD3 ARG A 194 23.277 2.044 -2.341 1.00 0.65 H new ATOM 0 HE ARG A 194 24.831 1.691 0.075 1.00 0.69 H new ATOM 0 HH11 ARG A 194 24.873 1.046 -3.401 1.00 1.25 H new ATOM 0 HH12 ARG A 194 26.630 1.185 -3.522 1.00 1.25 H new ATOM 0 HH21 ARG A 194 27.079 1.899 -0.094 1.00 1.06 H new ATOM 0 HH22 ARG A 194 27.876 1.667 -1.653 1.00 1.06 H new ATOM 2755 N ARG A 195 23.446 -2.048 1.859 1.00 0.45 N ATOM 2756 CA ARG A 195 23.750 -2.776 3.075 1.00 0.50 C ATOM 2757 C ARG A 195 24.347 -1.829 4.103 1.00 0.55 C ATOM 2758 O ARG A 195 25.268 -1.066 3.805 1.00 0.64 O ATOM 2759 CB ARG A 195 24.687 -3.954 2.803 1.00 0.59 C ATOM 2760 CG ARG A 195 26.077 -3.565 2.329 1.00 1.02 C ATOM 2761 CD ARG A 195 26.878 -4.784 1.902 1.00 1.07 C ATOM 2762 NE ARG A 195 26.853 -5.846 2.909 1.00 1.49 N ATOM 2763 CZ ARG A 195 27.829 -6.726 3.094 1.00 2.13 C ATOM 2764 NH1 ARG A 195 28.967 -6.632 2.414 1.00 2.34 N ATOM 2765 NH2 ARG A 195 27.657 -7.702 3.968 1.00 2.68 N ATOM 0 H ARG A 195 24.213 -1.987 1.189 1.00 0.45 H new ATOM 0 HA ARG A 195 22.823 -3.190 3.472 1.00 0.50 H new ATOM 0 HB2 ARG A 195 24.781 -4.544 3.715 1.00 0.59 H new ATOM 0 HB3 ARG A 195 24.229 -4.599 2.052 1.00 0.59 H new ATOM 0 HG2 ARG A 195 25.997 -2.869 1.494 1.00 1.02 H new ATOM 0 HG3 ARG A 195 26.603 -3.044 3.129 1.00 1.02 H new ATOM 0 HD2 ARG A 195 26.479 -5.167 0.963 1.00 1.07 H new ATOM 0 HD3 ARG A 195 27.910 -4.490 1.713 1.00 1.07 H new ATOM 0 HE ARG A 195 26.031 -5.914 3.509 1.00 1.49 H new ATOM 0 HH11 ARG A 195 29.098 -5.877 1.741 1.00 2.34 H new ATOM 0 HH12 ARG A 195 29.709 -7.315 2.565 1.00 2.34 H new ATOM 0 HH21 ARG A 195 26.783 -7.771 4.490 1.00 2.68 H new ATOM 0 HH22 ARG A 195 28.398 -8.386 4.121 1.00 2.68 H new ATOM 2779 N LYS A 196 23.803 -1.861 5.303 1.00 0.60 N ATOM 2780 CA LYS A 196 24.250 -0.972 6.356 1.00 0.69 C ATOM 2781 C LYS A 196 25.459 -1.560 7.069 1.00 0.76 C ATOM 2782 O LYS A 196 26.459 -0.876 7.279 1.00 0.88 O ATOM 2783 CB LYS A 196 23.123 -0.719 7.361 1.00 0.75 C ATOM 2784 CG LYS A 196 23.578 0.021 8.611 1.00 0.88 C ATOM 2785 CD LYS A 196 22.457 0.160 9.628 1.00 1.28 C ATOM 2786 CE LYS A 196 21.415 1.178 9.192 1.00 1.65 C ATOM 2787 NZ LYS A 196 21.990 2.543 9.069 1.00 2.15 N ATOM 0 H LYS A 196 23.050 -2.494 5.573 1.00 0.60 H new ATOM 0 HA LYS A 196 24.535 -0.022 5.903 1.00 0.69 H new ATOM 0 HB2 LYS A 196 22.336 -0.144 6.874 1.00 0.75 H new ATOM 0 HB3 LYS A 196 22.686 -1.674 7.653 1.00 0.75 H new ATOM 0 HG2 LYS A 196 24.415 -0.511 9.064 1.00 0.88 H new ATOM 0 HG3 LYS A 196 23.942 1.011 8.335 1.00 0.88 H new ATOM 0 HD2 LYS A 196 21.979 -0.808 9.775 1.00 1.28 H new ATOM 0 HD3 LYS A 196 22.875 0.458 10.590 1.00 1.28 H new ATOM 0 HE2 LYS A 196 20.990 0.875 8.235 1.00 1.65 H new ATOM 0 HE3 LYS A 196 20.598 1.192 9.913 1.00 1.65 H new ATOM 0 HZ1 LYS A 196 21.224 3.246 9.090 1.00 2.15 H new ATOM 0 HZ2 LYS A 196 22.642 2.718 9.860 1.00 2.15 H new ATOM 0 HZ3 LYS A 196 22.507 2.622 8.170 1.00 2.15 H new ATOM 2801 N PHE A 197 25.366 -2.833 7.427 1.00 0.77 N ATOM 2802 CA PHE A 197 26.420 -3.474 8.192 1.00 0.89 C ATOM 2803 C PHE A 197 27.386 -4.199 7.275 1.00 0.96 C ATOM 2804 O PHE A 197 27.009 -4.683 6.207 1.00 0.92 O ATOM 2805 CB PHE A 197 25.856 -4.490 9.188 1.00 0.95 C ATOM 2806 CG PHE A 197 24.584 -4.070 9.866 1.00 0.94 C ATOM 2807 CD1 PHE A 197 24.626 -3.136 10.881 1.00 1.14 C ATOM 2808 CD2 PHE A 197 23.357 -4.591 9.490 1.00 0.92 C ATOM 2809 CE1 PHE A 197 23.476 -2.722 11.519 1.00 1.19 C ATOM 2810 CE2 PHE A 197 22.196 -4.184 10.122 1.00 0.95 C ATOM 2811 CZ PHE A 197 22.204 -3.341 11.100 1.00 1.03 C ATOM 0 H PHE A 197 24.576 -3.437 7.201 1.00 0.77 H new ATOM 0 HA PHE A 197 26.937 -2.683 8.735 1.00 0.89 H new ATOM 0 HB2 PHE A 197 25.679 -5.430 8.665 1.00 0.95 H new ATOM 0 HB3 PHE A 197 26.610 -4.686 9.951 1.00 0.95 H new ATOM 0 HD1 PHE A 197 25.577 -2.722 11.181 1.00 1.14 H new ATOM 0 HD2 PHE A 197 23.306 -5.322 8.696 1.00 0.92 H new ATOM 0 HE1 PHE A 197 23.505 -1.973 12.296 1.00 1.19 H new ATOM 0 HE2 PHE A 197 21.251 -4.585 9.786 1.00 0.95 H new ATOM 0 HZ PHE A 197 21.285 -3.090 11.608 1.00 1.03 H new