USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 944 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 48 THR OG1 : rot 63:sc= 0.0883 USER MOD Set 1.2: A 61 MET CE :methyl -127:sc= 0 (180deg=0) USER MOD Set 2.1: A 50 MET CE :methyl 172:sc= 0 (180deg=-0.0564) USER MOD Set 2.2: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 57:sc= 0.138 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 19 TYR OH : rot -176:sc= 1.19 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.501 K(o=-0.5,f=-4.4!) USER MOD Single : A 37 THR OG1 : rot 89:sc= 0.675 USER MOD Single : A 46 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-3.8!) USER MOD Single : A 56 LYS NZ :NH3+ -144:sc= 0.322 (180deg=-1.44!) USER MOD Single : A 57 LYS NZ :NH3+ -115:sc= 1.18 (180deg=-1.13!) USER MOD Single : A 72 LYS NZ :NH3+ -172:sc= 0.874 (180deg=0.738) USER MOD Single : A 78 LYS NZ :NH3+ -114:sc= 1.27 (180deg=0.408) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.00884 X(o=0.0088,f=-0.25) USER MOD Single : A 85 MET CE :methyl -150:sc= -0.413 (180deg=-0.802) USER MOD Single : A 90 LYS NZ :NH3+ -178:sc= 0.762 (180deg=0.68) USER MOD Single : A 94 LYS NZ :NH3+ 162:sc= 1.66 (180deg=1.15) USER MOD Single : A 109 LYS NZ :NH3+ 144:sc= 0.727 (180deg=0.152) USER MOD Single : A 112 LYS NZ :NH3+ 157:sc= 1.17 (180deg=0.433) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 12.543 -3.550 -0.789 1.00 2.15 N ATOM 56 CA GLU A 5 11.479 -4.359 -1.386 1.00 1.08 C ATOM 57 C GLU A 5 10.164 -4.143 -0.625 1.00 0.99 C ATOM 58 O GLU A 5 10.156 -3.607 0.489 1.00 1.77 O ATOM 59 CB GLU A 5 11.837 -5.854 -1.314 1.00 2.36 C ATOM 60 CG GLU A 5 12.984 -6.257 -2.243 1.00 3.33 C ATOM 61 CD GLU A 5 13.286 -7.745 -2.060 1.00 4.44 C ATOM 62 OE1 GLU A 5 12.406 -8.547 -2.446 1.00 5.33 O ATOM 63 OE2 GLU A 5 14.364 -8.048 -1.500 1.00 5.11 O ATOM 0 HA GLU A 5 11.367 -4.055 -2.427 1.00 1.08 H new ATOM 0 HB2 GLU A 5 12.107 -6.105 -0.288 1.00 2.36 H new ATOM 0 HB3 GLU A 5 10.954 -6.442 -1.565 1.00 2.36 H new ATOM 0 HG2 GLU A 5 12.716 -6.054 -3.280 1.00 3.33 H new ATOM 0 HG3 GLU A 5 13.872 -5.664 -2.021 1.00 3.33 H new ATOM 70 N GLY A 6 9.058 -4.604 -1.215 1.00 1.08 N ATOM 71 CA GLY A 6 7.737 -4.548 -0.599 1.00 1.18 C ATOM 72 C GLY A 6 7.527 -5.656 0.423 1.00 1.10 C ATOM 73 O GLY A 6 8.147 -6.712 0.319 1.00 1.21 O ATOM 0 H GLY A 6 9.058 -5.030 -2.142 1.00 1.08 H new ATOM 0 HA2 GLY A 6 7.606 -3.581 -0.114 1.00 1.18 H new ATOM 0 HA3 GLY A 6 6.974 -4.623 -1.374 1.00 1.18 H new ATOM 77 N TRP A 7 6.598 -5.462 1.364 1.00 1.03 N ATOM 78 CA TRP A 7 6.234 -6.479 2.347 1.00 1.01 C ATOM 79 C TRP A 7 4.809 -6.306 2.890 1.00 0.91 C ATOM 80 O TRP A 7 4.363 -5.194 3.174 1.00 0.79 O ATOM 81 CB TRP A 7 7.281 -6.561 3.472 1.00 1.17 C ATOM 82 CG TRP A 7 7.272 -5.482 4.519 1.00 1.15 C ATOM 83 CD1 TRP A 7 6.763 -5.620 5.763 1.00 1.26 C ATOM 84 CD2 TRP A 7 7.768 -4.105 4.453 1.00 1.14 C ATOM 85 NE1 TRP A 7 6.969 -4.468 6.494 1.00 1.30 N ATOM 86 CE2 TRP A 7 7.576 -3.493 5.732 1.00 1.23 C ATOM 87 CE3 TRP A 7 8.334 -3.297 3.442 1.00 1.18 C ATOM 88 CZ2 TRP A 7 7.932 -2.159 5.990 1.00 1.33 C ATOM 89 CZ3 TRP A 7 8.683 -1.955 3.685 1.00 1.30 C ATOM 90 CH2 TRP A 7 8.490 -1.386 4.958 1.00 1.35 C ATOM 0 H TRP A 7 6.077 -4.591 1.463 1.00 1.03 H new ATOM 0 HA TRP A 7 6.233 -7.436 1.826 1.00 1.01 H new ATOM 0 HB2 TRP A 7 7.155 -7.519 3.977 1.00 1.17 H new ATOM 0 HB3 TRP A 7 8.268 -6.571 3.010 1.00 1.17 H new ATOM 0 HD1 TRP A 7 6.266 -6.505 6.132 1.00 1.26 H new ATOM 0 HE1 TRP A 7 6.706 -4.353 7.473 1.00 1.30 H new ATOM 0 HE3 TRP A 7 8.503 -3.718 2.462 1.00 1.18 H new ATOM 0 HZ2 TRP A 7 7.779 -1.732 6.970 1.00 1.33 H new ATOM 0 HZ3 TRP A 7 9.102 -1.358 2.889 1.00 1.30 H new ATOM 0 HH2 TRP A 7 8.770 -0.359 5.141 1.00 1.35 H new ATOM 101 N VAL A 8 4.093 -7.414 3.055 1.00 1.10 N ATOM 102 CA VAL A 8 2.723 -7.405 3.601 1.00 1.17 C ATOM 103 C VAL A 8 2.772 -7.626 5.116 1.00 1.19 C ATOM 104 O VAL A 8 3.438 -8.541 5.595 1.00 1.23 O ATOM 105 CB VAL A 8 1.813 -8.425 2.885 1.00 1.24 C ATOM 106 CG1 VAL A 8 0.440 -8.549 3.568 1.00 1.30 C ATOM 107 CG2 VAL A 8 1.615 -7.981 1.423 1.00 1.24 C ATOM 0 H VAL A 8 4.437 -8.345 2.818 1.00 1.10 H new ATOM 0 HA VAL A 8 2.276 -6.428 3.415 1.00 1.17 H new ATOM 0 HB VAL A 8 2.297 -9.400 2.931 1.00 1.24 H new ATOM 0 HG11 VAL A 8 -0.169 -9.277 3.032 1.00 1.30 H new ATOM 0 HG12 VAL A 8 0.575 -8.877 4.599 1.00 1.30 H new ATOM 0 HG13 VAL A 8 -0.060 -7.581 3.558 1.00 1.30 H new ATOM 0 HG21 VAL A 8 0.973 -8.696 0.909 1.00 1.24 H new ATOM 0 HG22 VAL A 8 1.150 -6.995 1.402 1.00 1.24 H new ATOM 0 HG23 VAL A 8 2.582 -7.937 0.922 1.00 1.24 H new ATOM 117 N ARG A 9 2.039 -6.794 5.865 1.00 1.21 N ATOM 118 CA ARG A 9 2.037 -6.786 7.327 1.00 1.26 C ATOM 119 C ARG A 9 1.186 -7.922 7.907 1.00 1.49 C ATOM 120 O ARG A 9 -0.041 -7.898 7.819 1.00 2.09 O ATOM 121 CB ARG A 9 1.546 -5.413 7.808 1.00 1.32 C ATOM 122 CG ARG A 9 1.490 -5.264 9.333 1.00 1.45 C ATOM 123 CD ARG A 9 1.091 -3.826 9.710 1.00 1.95 C ATOM 124 NE ARG A 9 -0.067 -3.800 10.621 1.00 2.74 N ATOM 125 CZ ARG A 9 -0.014 -4.002 11.931 1.00 2.97 C ATOM 126 NH1 ARG A 9 1.123 -4.062 12.589 1.00 3.04 N ATOM 127 NH2 ARG A 9 -1.133 -4.167 12.609 1.00 4.32 N ATOM 0 H ARG A 9 1.418 -6.093 5.460 1.00 1.21 H new ATOM 0 HA ARG A 9 3.052 -6.958 7.685 1.00 1.26 H new ATOM 0 HB2 ARG A 9 2.202 -4.643 7.403 1.00 1.32 H new ATOM 0 HB3 ARG A 9 0.552 -5.232 7.400 1.00 1.32 H new ATOM 0 HG2 ARG A 9 0.771 -5.970 9.749 1.00 1.45 H new ATOM 0 HG3 ARG A 9 2.461 -5.506 9.766 1.00 1.45 H new ATOM 0 HD2 ARG A 9 1.937 -3.326 10.183 1.00 1.95 H new ATOM 0 HD3 ARG A 9 0.855 -3.265 8.806 1.00 1.95 H new ATOM 0 HE ARG A 9 -0.982 -3.612 10.212 1.00 2.74 H new ATOM 0 HH11 ARG A 9 2.007 -3.952 12.092 1.00 3.04 H new ATOM 0 HH12 ARG A 9 1.121 -4.219 13.597 1.00 3.04 H new ATOM 0 HH21 ARG A 9 -2.031 -4.139 12.126 1.00 4.32 H new ATOM 0 HH22 ARG A 9 -1.101 -4.323 13.617 1.00 4.32 H new ATOM 141 N PHE A 10 1.822 -8.869 8.596 1.00 1.36 N ATOM 142 CA PHE A 10 1.164 -9.752 9.554 1.00 1.39 C ATOM 143 C PHE A 10 0.964 -9.032 10.901 1.00 1.22 C ATOM 144 O PHE A 10 1.792 -8.242 11.348 1.00 1.69 O ATOM 145 CB PHE A 10 1.982 -11.047 9.711 1.00 2.00 C ATOM 146 CG PHE A 10 1.564 -11.914 10.891 1.00 2.22 C ATOM 147 CD1 PHE A 10 0.232 -12.358 11.019 1.00 3.65 C ATOM 148 CD2 PHE A 10 2.486 -12.195 11.917 1.00 2.02 C ATOM 149 CE1 PHE A 10 -0.177 -13.053 12.170 1.00 3.81 C ATOM 150 CE2 PHE A 10 2.078 -12.899 13.065 1.00 2.17 C ATOM 151 CZ PHE A 10 0.747 -13.328 13.192 1.00 2.60 C ATOM 0 H PHE A 10 2.822 -9.045 8.502 1.00 1.36 H new ATOM 0 HA PHE A 10 0.175 -10.020 9.183 1.00 1.39 H new ATOM 0 HB2 PHE A 10 1.893 -11.632 8.796 1.00 2.00 H new ATOM 0 HB3 PHE A 10 3.035 -10.787 9.822 1.00 2.00 H new ATOM 0 HD1 PHE A 10 -0.478 -12.163 10.229 1.00 3.65 H new ATOM 0 HD2 PHE A 10 3.511 -11.869 11.823 1.00 2.02 H new ATOM 0 HE1 PHE A 10 -1.203 -13.376 12.269 1.00 3.81 H new ATOM 0 HE2 PHE A 10 2.790 -13.110 13.850 1.00 2.17 H new ATOM 0 HZ PHE A 10 0.434 -13.868 14.073 1.00 2.60 H new ATOM 161 N SER A 11 -0.124 -9.357 11.597 1.00 0.99 N ATOM 162 CA SER A 11 -0.395 -8.966 12.978 1.00 1.32 C ATOM 163 C SER A 11 -1.611 -9.732 13.540 1.00 1.37 C ATOM 164 O SER A 11 -2.485 -10.124 12.763 1.00 1.42 O ATOM 165 CB SER A 11 -0.630 -7.455 13.067 1.00 1.75 C ATOM 166 OG SER A 11 0.495 -6.806 13.631 1.00 2.72 O ATOM 0 H SER A 11 -0.872 -9.924 11.197 1.00 0.99 H new ATOM 0 HA SER A 11 0.476 -9.222 13.581 1.00 1.32 H new ATOM 0 HB2 SER A 11 -0.827 -7.053 12.073 1.00 1.75 H new ATOM 0 HB3 SER A 11 -1.514 -7.254 13.673 1.00 1.75 H new ATOM 0 HG SER A 11 1.293 -7.018 13.104 1.00 2.72 H new ATOM 172 N PRO A 12 -1.688 -9.950 14.869 1.00 1.68 N ATOM 173 CA PRO A 12 -2.811 -10.609 15.525 1.00 2.03 C ATOM 174 C PRO A 12 -3.917 -9.583 15.818 1.00 2.27 C ATOM 175 O PRO A 12 -4.076 -9.123 16.946 1.00 3.31 O ATOM 176 CB PRO A 12 -2.199 -11.224 16.790 1.00 2.35 C ATOM 177 CG PRO A 12 -1.154 -10.181 17.186 1.00 2.37 C ATOM 178 CD PRO A 12 -0.635 -9.679 15.839 1.00 1.93 C ATOM 0 HA PRO A 12 -3.292 -11.378 14.920 1.00 2.03 H new ATOM 0 HB2 PRO A 12 -2.944 -11.371 17.572 1.00 2.35 H new ATOM 0 HB3 PRO A 12 -1.748 -12.197 16.592 1.00 2.35 H new ATOM 0 HG2 PRO A 12 -1.592 -9.375 17.775 1.00 2.37 H new ATOM 0 HG3 PRO A 12 -0.357 -10.618 17.787 1.00 2.37 H new ATOM 0 HD2 PRO A 12 -0.410 -8.613 15.881 1.00 1.93 H new ATOM 0 HD3 PRO A 12 0.288 -10.189 15.563 1.00 1.93 H new ATOM 186 N GLY A 13 -4.662 -9.179 14.787 1.00 1.58 N ATOM 187 CA GLY A 13 -5.712 -8.163 14.921 1.00 1.72 C ATOM 188 C GLY A 13 -6.778 -8.159 13.817 1.00 1.58 C ATOM 189 O GLY A 13 -6.710 -8.967 12.890 1.00 1.54 O ATOM 0 H GLY A 13 -4.557 -9.543 13.840 1.00 1.58 H new ATOM 0 HA2 GLY A 13 -6.209 -8.305 15.880 1.00 1.72 H new ATOM 0 HA3 GLY A 13 -5.240 -7.181 14.949 1.00 1.72 H new ATOM 193 N PRO A 14 -7.757 -7.235 13.901 1.00 1.78 N ATOM 194 CA PRO A 14 -8.817 -7.080 12.907 1.00 1.87 C ATOM 195 C PRO A 14 -8.334 -6.391 11.621 1.00 1.53 C ATOM 196 O PRO A 14 -9.036 -6.454 10.611 1.00 1.60 O ATOM 197 CB PRO A 14 -9.891 -6.246 13.610 1.00 2.35 C ATOM 198 CG PRO A 14 -9.077 -5.354 14.545 1.00 2.44 C ATOM 199 CD PRO A 14 -7.939 -6.277 14.985 1.00 2.17 C ATOM 0 HA PRO A 14 -9.187 -8.050 12.576 1.00 1.87 H new ATOM 0 HB2 PRO A 14 -10.475 -5.660 12.901 1.00 2.35 H new ATOM 0 HB3 PRO A 14 -10.593 -6.873 14.160 1.00 2.35 H new ATOM 0 HG2 PRO A 14 -8.704 -4.466 14.034 1.00 2.44 H new ATOM 0 HG3 PRO A 14 -9.669 -5.009 15.393 1.00 2.44 H new ATOM 0 HD2 PRO A 14 -7.025 -5.711 15.163 1.00 2.17 H new ATOM 0 HD3 PRO A 14 -8.187 -6.785 15.917 1.00 2.17 H new ATOM 207 N ASN A 15 -7.166 -5.729 11.638 1.00 1.34 N ATOM 208 CA ASN A 15 -6.633 -5.022 10.482 1.00 1.07 C ATOM 209 C ASN A 15 -5.098 -5.003 10.380 1.00 1.05 C ATOM 210 O ASN A 15 -4.353 -5.216 11.343 1.00 1.32 O ATOM 211 CB ASN A 15 -7.257 -3.617 10.406 1.00 1.10 C ATOM 212 CG ASN A 15 -6.752 -2.594 11.418 1.00 1.88 C ATOM 213 OD1 ASN A 15 -6.296 -2.905 12.507 1.00 2.58 O ATOM 214 ND2 ASN A 15 -6.863 -1.322 11.073 1.00 2.38 N ATOM 0 H ASN A 15 -6.568 -5.674 12.463 1.00 1.34 H new ATOM 0 HA ASN A 15 -6.927 -5.593 9.601 1.00 1.07 H new ATOM 0 HB2 ASN A 15 -7.085 -3.221 9.405 1.00 1.10 H new ATOM 0 HB3 ASN A 15 -8.336 -3.715 10.529 1.00 1.10 H new ATOM 0 HD21 ASN A 15 -6.566 -0.591 11.719 1.00 2.38 H new ATOM 0 HD22 ASN A 15 -7.245 -1.072 10.161 1.00 2.38 H new ATOM 221 N ALA A 16 -4.632 -4.732 9.161 1.00 0.85 N ATOM 222 CA ALA A 16 -3.243 -4.771 8.718 1.00 0.99 C ATOM 223 C ALA A 16 -3.031 -3.857 7.496 1.00 0.84 C ATOM 224 O ALA A 16 -3.899 -3.047 7.166 1.00 0.66 O ATOM 225 CB ALA A 16 -2.857 -6.231 8.457 1.00 1.22 C ATOM 0 H ALA A 16 -5.262 -4.461 8.406 1.00 0.85 H new ATOM 0 HA ALA A 16 -2.582 -4.381 9.492 1.00 0.99 H new ATOM 0 HB1 ALA A 16 -1.820 -6.279 8.124 1.00 1.22 H new ATOM 0 HB2 ALA A 16 -2.971 -6.807 9.375 1.00 1.22 H new ATOM 0 HB3 ALA A 16 -3.505 -6.646 7.685 1.00 1.22 H new ATOM 231 N ALA A 17 -1.875 -3.969 6.835 1.00 1.31 N ATOM 232 CA ALA A 17 -1.470 -3.098 5.733 1.00 1.29 C ATOM 233 C ALA A 17 -0.657 -3.843 4.666 1.00 1.40 C ATOM 234 O ALA A 17 0.132 -4.725 5.006 1.00 1.57 O ATOM 235 CB ALA A 17 -0.651 -1.928 6.297 1.00 1.45 C ATOM 0 H ALA A 17 -1.182 -4.683 7.057 1.00 1.31 H new ATOM 0 HA ALA A 17 -2.373 -2.731 5.244 1.00 1.29 H new ATOM 0 HB1 ALA A 17 -0.344 -1.272 5.482 1.00 1.45 H new ATOM 0 HB2 ALA A 17 -1.260 -1.366 7.005 1.00 1.45 H new ATOM 0 HB3 ALA A 17 0.233 -2.314 6.805 1.00 1.45 H new ATOM 241 N ALA A 18 -0.780 -3.449 3.396 1.00 1.44 N ATOM 242 CA ALA A 18 0.236 -3.769 2.388 1.00 1.49 C ATOM 243 C ALA A 18 1.104 -2.536 2.099 1.00 1.17 C ATOM 244 O ALA A 18 0.603 -1.510 1.620 1.00 1.39 O ATOM 245 CB ALA A 18 -0.415 -4.340 1.121 1.00 1.67 C ATOM 0 H ALA A 18 -1.570 -2.910 3.041 1.00 1.44 H new ATOM 0 HA ALA A 18 0.895 -4.545 2.778 1.00 1.49 H new ATOM 0 HB1 ALA A 18 0.357 -4.570 0.387 1.00 1.67 H new ATOM 0 HB2 ALA A 18 -0.961 -5.250 1.371 1.00 1.67 H new ATOM 0 HB3 ALA A 18 -1.105 -3.606 0.704 1.00 1.67 H new ATOM 251 N TYR A 19 2.403 -2.665 2.376 1.00 0.77 N ATOM 252 CA TYR A 19 3.477 -1.781 1.908 1.00 0.79 C ATOM 253 C TYR A 19 4.191 -2.461 0.729 1.00 0.90 C ATOM 254 O TYR A 19 4.367 -3.679 0.750 1.00 1.00 O ATOM 255 CB TYR A 19 4.500 -1.547 3.033 1.00 0.85 C ATOM 256 CG TYR A 19 3.997 -1.613 4.462 1.00 0.89 C ATOM 257 CD1 TYR A 19 3.150 -0.621 4.988 1.00 1.65 C ATOM 258 CD2 TYR A 19 4.431 -2.665 5.282 1.00 2.36 C ATOM 259 CE1 TYR A 19 2.791 -0.652 6.351 1.00 1.55 C ATOM 260 CE2 TYR A 19 4.116 -2.682 6.648 1.00 2.51 C ATOM 261 CZ TYR A 19 3.324 -1.659 7.199 1.00 1.07 C ATOM 262 OH TYR A 19 3.103 -1.656 8.542 1.00 1.27 O ATOM 0 H TYR A 19 2.753 -3.424 2.960 1.00 0.77 H new ATOM 0 HA TYR A 19 3.051 -0.825 1.605 1.00 0.79 H new ATOM 0 HB2 TYR A 19 5.296 -2.283 2.922 1.00 0.85 H new ATOM 0 HB3 TYR A 19 4.950 -0.566 2.880 1.00 0.85 H new ATOM 0 HD1 TYR A 19 2.775 0.164 4.348 1.00 1.65 H new ATOM 0 HD2 TYR A 19 5.013 -3.469 4.857 1.00 2.36 H new ATOM 0 HE1 TYR A 19 2.113 0.088 6.749 1.00 1.55 H new ATOM 0 HE2 TYR A 19 4.481 -3.480 7.277 1.00 2.51 H new ATOM 0 HH TYR A 19 3.602 -2.390 8.957 1.00 1.27 H new ATOM 272 N LEU A 20 4.619 -1.723 -0.304 1.00 0.98 N ATOM 273 CA LEU A 20 5.082 -2.359 -1.548 1.00 1.25 C ATOM 274 C LEU A 20 5.885 -1.475 -2.497 1.00 1.48 C ATOM 275 O LEU A 20 5.673 -0.271 -2.596 1.00 1.41 O ATOM 276 CB LEU A 20 3.953 -3.138 -2.260 1.00 1.30 C ATOM 277 CG LEU A 20 2.659 -2.346 -2.534 1.00 1.36 C ATOM 278 CD1 LEU A 20 2.715 -1.618 -3.885 1.00 1.47 C ATOM 279 CD2 LEU A 20 1.473 -3.316 -2.464 1.00 1.96 C ATOM 0 H LEU A 20 4.655 -0.704 -0.307 1.00 0.98 H new ATOM 0 HA LEU A 20 5.822 -3.083 -1.209 1.00 1.25 H new ATOM 0 HB2 LEU A 20 4.337 -3.509 -3.210 1.00 1.30 H new ATOM 0 HB3 LEU A 20 3.702 -4.009 -1.655 1.00 1.30 H new ATOM 0 HG LEU A 20 2.541 -1.571 -1.777 1.00 1.36 H new ATOM 0 HD11 LEU A 20 1.785 -1.071 -4.042 1.00 1.47 H new ATOM 0 HD12 LEU A 20 3.552 -0.920 -3.888 1.00 1.47 H new ATOM 0 HD13 LEU A 20 2.848 -2.346 -4.685 1.00 1.47 H new ATOM 0 HD21 LEU A 20 0.547 -2.773 -2.655 1.00 1.96 H new ATOM 0 HD22 LEU A 20 1.597 -4.097 -3.214 1.00 1.96 H new ATOM 0 HD23 LEU A 20 1.430 -3.768 -1.473 1.00 1.96 H new ATOM 291 N THR A 21 6.791 -2.129 -3.227 1.00 1.83 N ATOM 292 CA THR A 21 7.778 -1.508 -4.117 1.00 1.81 C ATOM 293 C THR A 21 7.497 -1.908 -5.554 1.00 1.95 C ATOM 294 O THR A 21 7.184 -3.066 -5.831 1.00 2.01 O ATOM 295 CB THR A 21 9.199 -1.875 -3.672 1.00 1.75 C ATOM 296 OG1 THR A 21 9.326 -1.413 -2.353 1.00 1.71 O ATOM 297 CG2 THR A 21 10.283 -1.174 -4.488 1.00 1.94 C ATOM 0 H THR A 21 6.861 -3.147 -3.215 1.00 1.83 H new ATOM 0 HA THR A 21 7.698 -0.423 -4.059 1.00 1.81 H new ATOM 0 HB THR A 21 9.331 -2.950 -3.793 1.00 1.75 H new ATOM 0 HG1 THR A 21 10.222 -1.625 -2.017 1.00 1.71 H new ATOM 0 HG21 THR A 21 11.265 -1.476 -4.124 1.00 1.94 H new ATOM 0 HG22 THR A 21 10.185 -1.451 -5.538 1.00 1.94 H new ATOM 0 HG23 THR A 21 10.174 -0.094 -4.386 1.00 1.94 H new ATOM 305 N LEU A 22 7.620 -0.930 -6.450 1.00 2.19 N ATOM 306 CA LEU A 22 7.392 -1.041 -7.887 1.00 2.44 C ATOM 307 C LEU A 22 8.088 0.106 -8.630 1.00 1.99 C ATOM 308 O LEU A 22 8.674 1.005 -8.018 1.00 2.03 O ATOM 309 CB LEU A 22 5.886 -1.091 -8.185 1.00 3.08 C ATOM 310 CG LEU A 22 5.626 -2.129 -9.295 1.00 3.91 C ATOM 311 CD1 LEU A 22 5.547 -3.550 -8.726 1.00 5.26 C ATOM 312 CD2 LEU A 22 4.344 -1.762 -10.019 1.00 3.34 C ATOM 0 H LEU A 22 7.897 0.013 -6.176 1.00 2.19 H new ATOM 0 HA LEU A 22 7.828 -1.973 -8.248 1.00 2.44 H new ATOM 0 HB2 LEU A 22 5.333 -1.357 -7.284 1.00 3.08 H new ATOM 0 HB3 LEU A 22 5.532 -0.109 -8.498 1.00 3.08 H new ATOM 0 HG LEU A 22 6.459 -2.115 -9.998 1.00 3.91 H new ATOM 0 HD11 LEU A 22 5.363 -4.256 -9.535 1.00 5.26 H new ATOM 0 HD12 LEU A 22 6.488 -3.798 -8.235 1.00 5.26 H new ATOM 0 HD13 LEU A 22 4.734 -3.607 -8.002 1.00 5.26 H new ATOM 0 HD21 LEU A 22 4.150 -2.490 -10.807 1.00 3.34 H new ATOM 0 HD22 LEU A 22 3.514 -1.762 -9.312 1.00 3.34 H new ATOM 0 HD23 LEU A 22 4.446 -0.770 -10.459 1.00 3.34 H new ATOM 324 N GLU A 23 7.958 0.127 -9.948 1.00 1.72 N ATOM 325 CA GLU A 23 8.320 1.263 -10.778 1.00 1.35 C ATOM 326 C GLU A 23 7.401 1.341 -11.987 1.00 1.26 C ATOM 327 O GLU A 23 6.784 0.352 -12.385 1.00 1.41 O ATOM 328 CB GLU A 23 9.799 1.201 -11.197 1.00 1.78 C ATOM 329 CG GLU A 23 10.159 0.009 -12.089 1.00 2.45 C ATOM 330 CD GLU A 23 11.607 0.139 -12.538 1.00 3.50 C ATOM 331 OE1 GLU A 23 12.491 -0.206 -11.724 1.00 3.36 O ATOM 332 OE2 GLU A 23 11.801 0.629 -13.674 1.00 4.90 O ATOM 0 H GLU A 23 7.590 -0.662 -10.480 1.00 1.72 H new ATOM 0 HA GLU A 23 8.193 2.173 -10.192 1.00 1.35 H new ATOM 0 HB2 GLU A 23 10.053 2.121 -11.723 1.00 1.78 H new ATOM 0 HB3 GLU A 23 10.416 1.166 -10.299 1.00 1.78 H new ATOM 0 HG2 GLU A 23 10.017 -0.924 -11.544 1.00 2.45 H new ATOM 0 HG3 GLU A 23 9.499 -0.024 -12.956 1.00 2.45 H new ATOM 339 N ASN A 24 7.346 2.526 -12.582 1.00 1.15 N ATOM 340 CA ASN A 24 6.819 2.724 -13.916 1.00 1.15 C ATOM 341 C ASN A 24 7.978 2.722 -14.933 1.00 1.24 C ATOM 342 O ASN A 24 8.656 3.743 -15.055 1.00 1.30 O ATOM 343 CB ASN A 24 6.061 4.054 -13.931 1.00 1.03 C ATOM 344 CG ASN A 24 5.486 4.370 -15.295 1.00 1.06 C ATOM 345 OD1 ASN A 24 5.431 3.539 -16.191 1.00 1.21 O ATOM 346 ND2 ASN A 24 5.012 5.582 -15.457 1.00 0.98 N ATOM 0 H ASN A 24 7.672 3.386 -12.141 1.00 1.15 H new ATOM 0 HA ASN A 24 6.137 1.920 -14.193 1.00 1.15 H new ATOM 0 HB2 ASN A 24 5.255 4.019 -13.198 1.00 1.03 H new ATOM 0 HB3 ASN A 24 6.733 4.857 -13.627 1.00 1.03 H new ATOM 0 HD21 ASN A 24 4.586 5.849 -16.345 1.00 0.98 H new ATOM 0 HD22 ASN A 24 5.069 6.258 -14.695 1.00 0.98 H new ATOM 353 N PRO A 25 8.204 1.631 -15.688 1.00 1.31 N ATOM 354 CA PRO A 25 9.231 1.584 -16.727 1.00 1.39 C ATOM 355 C PRO A 25 8.820 2.314 -18.020 1.00 1.39 C ATOM 356 O PRO A 25 9.650 2.456 -18.917 1.00 1.46 O ATOM 357 CB PRO A 25 9.456 0.089 -16.975 1.00 1.55 C ATOM 358 CG PRO A 25 8.073 -0.509 -16.717 1.00 1.56 C ATOM 359 CD PRO A 25 7.557 0.331 -15.555 1.00 1.39 C ATOM 0 HA PRO A 25 10.136 2.101 -16.408 1.00 1.39 H new ATOM 0 HB2 PRO A 25 9.797 -0.105 -17.992 1.00 1.55 H new ATOM 0 HB3 PRO A 25 10.207 -0.324 -16.302 1.00 1.55 H new ATOM 0 HG2 PRO A 25 7.428 -0.430 -17.592 1.00 1.56 H new ATOM 0 HG3 PRO A 25 8.131 -1.566 -16.458 1.00 1.56 H new ATOM 0 HD2 PRO A 25 6.472 0.428 -15.594 1.00 1.39 H new ATOM 0 HD3 PRO A 25 7.801 -0.132 -14.599 1.00 1.39 H new ATOM 367 N GLY A 26 7.566 2.778 -18.140 1.00 1.35 N ATOM 368 CA GLY A 26 7.038 3.432 -19.341 1.00 1.41 C ATOM 369 C GLY A 26 7.415 4.908 -19.453 1.00 1.28 C ATOM 370 O GLY A 26 8.083 5.470 -18.586 1.00 1.16 O ATOM 0 H GLY A 26 6.880 2.706 -17.389 1.00 1.35 H new ATOM 0 HA2 GLY A 26 7.404 2.905 -20.222 1.00 1.41 H new ATOM 0 HA3 GLY A 26 5.952 3.342 -19.345 1.00 1.41 H new ATOM 374 N ASP A 27 7.001 5.528 -20.559 1.00 1.38 N ATOM 375 CA ASP A 27 7.273 6.937 -20.900 1.00 1.34 C ATOM 376 C ASP A 27 6.021 7.831 -20.777 1.00 1.35 C ATOM 377 O ASP A 27 6.084 9.041 -20.976 1.00 1.40 O ATOM 378 CB ASP A 27 7.936 6.982 -22.282 1.00 1.42 C ATOM 379 CG ASP A 27 9.299 6.293 -22.198 1.00 1.68 C ATOM 380 OD1 ASP A 27 9.353 5.052 -22.341 1.00 2.25 O ATOM 381 OD2 ASP A 27 10.278 6.944 -21.769 1.00 2.56 O ATOM 0 H ASP A 27 6.447 5.052 -21.271 1.00 1.38 H new ATOM 0 HA ASP A 27 7.966 7.363 -20.174 1.00 1.34 H new ATOM 0 HB2 ASP A 27 7.306 6.484 -23.019 1.00 1.42 H new ATOM 0 HB3 ASP A 27 8.055 8.015 -22.610 1.00 1.42 H new ATOM 386 N LEU A 28 4.898 7.237 -20.358 1.00 1.34 N ATOM 387 CA LEU A 28 3.688 7.907 -19.871 1.00 1.30 C ATOM 388 C LEU A 28 3.466 7.559 -18.379 1.00 1.08 C ATOM 389 O LEU A 28 4.085 6.607 -17.899 1.00 1.03 O ATOM 390 CB LEU A 28 2.525 7.553 -20.823 1.00 1.54 C ATOM 391 CG LEU A 28 2.089 6.072 -20.908 1.00 1.56 C ATOM 392 CD1 LEU A 28 1.291 5.603 -19.681 1.00 1.85 C ATOM 393 CD2 LEU A 28 1.204 5.891 -22.151 1.00 1.89 C ATOM 0 H LEU A 28 4.804 6.221 -20.349 1.00 1.34 H new ATOM 0 HA LEU A 28 3.773 8.994 -19.889 1.00 1.30 H new ATOM 0 HB2 LEU A 28 1.657 8.141 -20.525 1.00 1.54 H new ATOM 0 HB3 LEU A 28 2.802 7.879 -21.826 1.00 1.54 H new ATOM 0 HG LEU A 28 2.999 5.474 -20.958 1.00 1.56 H new ATOM 0 HD11 LEU A 28 1.016 4.556 -19.804 1.00 1.85 H new ATOM 0 HD12 LEU A 28 1.902 5.715 -18.785 1.00 1.85 H new ATOM 0 HD13 LEU A 28 0.388 6.206 -19.582 1.00 1.85 H new ATOM 0 HD21 LEU A 28 0.888 4.850 -22.225 1.00 1.89 H new ATOM 0 HD22 LEU A 28 0.326 6.532 -22.069 1.00 1.89 H new ATOM 0 HD23 LEU A 28 1.769 6.163 -23.043 1.00 1.89 H new ATOM 405 N PRO A 29 2.642 8.302 -17.609 1.00 1.00 N ATOM 406 CA PRO A 29 2.527 8.112 -16.164 1.00 0.83 C ATOM 407 C PRO A 29 1.589 6.933 -15.821 1.00 0.79 C ATOM 408 O PRO A 29 0.706 6.591 -16.609 1.00 0.92 O ATOM 409 CB PRO A 29 1.978 9.438 -15.631 1.00 0.88 C ATOM 410 CG PRO A 29 1.115 9.948 -16.784 1.00 1.07 C ATOM 411 CD PRO A 29 1.826 9.428 -18.036 1.00 1.16 C ATOM 0 HA PRO A 29 3.486 7.860 -15.712 1.00 0.83 H new ATOM 0 HB2 PRO A 29 1.393 9.295 -14.723 1.00 0.88 H new ATOM 0 HB3 PRO A 29 2.779 10.137 -15.388 1.00 0.88 H new ATOM 0 HG2 PRO A 29 0.095 9.569 -16.717 1.00 1.07 H new ATOM 0 HG3 PRO A 29 1.051 11.036 -16.784 1.00 1.07 H new ATOM 0 HD2 PRO A 29 1.104 9.119 -18.792 1.00 1.16 H new ATOM 0 HD3 PRO A 29 2.443 10.207 -18.484 1.00 1.16 H new ATOM 419 N LEU A 30 1.728 6.351 -14.620 1.00 0.70 N ATOM 420 CA LEU A 30 0.774 5.385 -14.054 1.00 0.74 C ATOM 421 C LEU A 30 -0.043 6.041 -12.956 1.00 0.69 C ATOM 422 O LEU A 30 0.449 6.906 -12.240 1.00 0.86 O ATOM 423 CB LEU A 30 1.454 4.159 -13.441 1.00 0.86 C ATOM 424 CG LEU A 30 2.277 3.360 -14.443 1.00 0.98 C ATOM 425 CD1 LEU A 30 2.830 2.121 -13.744 1.00 1.53 C ATOM 426 CD2 LEU A 30 1.558 2.936 -15.724 1.00 2.22 C ATOM 0 H LEU A 30 2.519 6.541 -14.005 1.00 0.70 H new ATOM 0 HA LEU A 30 0.149 5.061 -14.886 1.00 0.74 H new ATOM 0 HB2 LEU A 30 2.101 4.481 -12.625 1.00 0.86 H new ATOM 0 HB3 LEU A 30 0.694 3.510 -13.007 1.00 0.86 H new ATOM 0 HG LEU A 30 3.059 4.041 -14.778 1.00 0.98 H new ATOM 0 HD11 LEU A 30 3.422 1.539 -14.450 1.00 1.53 H new ATOM 0 HD12 LEU A 30 3.459 2.425 -12.907 1.00 1.53 H new ATOM 0 HD13 LEU A 30 2.004 1.513 -13.375 1.00 1.53 H new ATOM 0 HD21 LEU A 30 2.245 2.375 -16.358 1.00 2.22 H new ATOM 0 HD22 LEU A 30 0.703 2.309 -15.471 1.00 2.22 H new ATOM 0 HD23 LEU A 30 1.213 3.822 -16.258 1.00 2.22 H new ATOM 438 N ARG A 31 -1.245 5.515 -12.750 1.00 0.56 N ATOM 439 CA ARG A 31 -2.148 5.906 -11.660 1.00 0.49 C ATOM 440 C ARG A 31 -2.744 4.686 -10.974 1.00 0.47 C ATOM 441 O ARG A 31 -3.477 3.927 -11.604 1.00 0.48 O ATOM 442 CB ARG A 31 -3.218 6.846 -12.216 1.00 0.52 C ATOM 443 CG ARG A 31 -4.186 7.388 -11.148 1.00 0.58 C ATOM 444 CD ARG A 31 -4.770 8.761 -11.507 1.00 0.70 C ATOM 445 NE ARG A 31 -5.243 8.826 -12.903 1.00 1.79 N ATOM 446 CZ ARG A 31 -4.662 9.501 -13.891 1.00 2.04 C ATOM 447 NH1 ARG A 31 -3.639 10.312 -13.720 1.00 1.93 N ATOM 448 NH2 ARG A 31 -5.109 9.349 -15.118 1.00 3.62 N ATOM 0 H ARG A 31 -1.634 4.786 -13.348 1.00 0.56 H new ATOM 0 HA ARG A 31 -1.588 6.438 -10.891 1.00 0.49 H new ATOM 0 HB2 ARG A 31 -2.729 7.686 -12.710 1.00 0.52 H new ATOM 0 HB3 ARG A 31 -3.791 6.318 -12.978 1.00 0.52 H new ATOM 0 HG2 ARG A 31 -5.001 6.678 -11.011 1.00 0.58 H new ATOM 0 HG3 ARG A 31 -3.662 7.460 -10.195 1.00 0.58 H new ATOM 0 HD2 ARG A 31 -5.598 8.987 -10.835 1.00 0.70 H new ATOM 0 HD3 ARG A 31 -4.012 9.528 -11.348 1.00 0.70 H new ATOM 0 HE ARG A 31 -6.091 8.307 -13.131 1.00 1.79 H new ATOM 0 HH11 ARG A 31 -3.248 10.451 -12.788 1.00 1.93 H new ATOM 0 HH12 ARG A 31 -3.237 10.802 -14.519 1.00 1.93 H new ATOM 0 HH21 ARG A 31 -5.891 8.720 -15.302 1.00 3.62 H new ATOM 0 HH22 ARG A 31 -4.674 9.860 -15.886 1.00 3.62 H new ATOM 462 N LEU A 32 -2.396 4.509 -9.702 1.00 0.47 N ATOM 463 CA LEU A 32 -2.721 3.388 -8.824 1.00 0.44 C ATOM 464 C LEU A 32 -3.963 3.757 -7.997 1.00 0.42 C ATOM 465 O LEU A 32 -3.908 4.648 -7.154 1.00 0.47 O ATOM 466 CB LEU A 32 -1.467 3.146 -7.958 1.00 0.44 C ATOM 467 CG LEU A 32 -1.559 2.030 -6.900 1.00 0.42 C ATOM 468 CD1 LEU A 32 -1.633 0.642 -7.552 1.00 0.62 C ATOM 469 CD2 LEU A 32 -0.303 2.099 -6.018 1.00 0.63 C ATOM 0 H LEU A 32 -1.831 5.206 -9.218 1.00 0.47 H new ATOM 0 HA LEU A 32 -2.966 2.471 -9.361 1.00 0.44 H new ATOM 0 HB2 LEU A 32 -0.634 2.916 -8.623 1.00 0.44 H new ATOM 0 HB3 LEU A 32 -1.221 4.078 -7.449 1.00 0.44 H new ATOM 0 HG LEU A 32 -2.465 2.177 -6.313 1.00 0.42 H new ATOM 0 HD11 LEU A 32 -1.697 -0.121 -6.777 1.00 0.62 H new ATOM 0 HD12 LEU A 32 -2.515 0.586 -8.190 1.00 0.62 H new ATOM 0 HD13 LEU A 32 -0.739 0.474 -8.153 1.00 0.62 H new ATOM 0 HD21 LEU A 32 -0.347 1.316 -5.260 1.00 0.63 H new ATOM 0 HD22 LEU A 32 0.584 1.957 -6.636 1.00 0.63 H new ATOM 0 HD23 LEU A 32 -0.253 3.073 -5.531 1.00 0.63 H new ATOM 481 N VAL A 33 -5.084 3.083 -8.249 1.00 0.45 N ATOM 482 CA VAL A 33 -6.408 3.404 -7.678 1.00 0.48 C ATOM 483 C VAL A 33 -6.842 2.436 -6.568 1.00 0.50 C ATOM 484 O VAL A 33 -7.832 2.689 -5.884 1.00 0.55 O ATOM 485 CB VAL A 33 -7.502 3.463 -8.774 1.00 0.56 C ATOM 486 CG1 VAL A 33 -7.163 4.538 -9.817 1.00 0.56 C ATOM 487 CG2 VAL A 33 -7.715 2.124 -9.505 1.00 0.65 C ATOM 0 H VAL A 33 -5.106 2.275 -8.872 1.00 0.45 H new ATOM 0 HA VAL A 33 -6.296 4.390 -7.227 1.00 0.48 H new ATOM 0 HB VAL A 33 -8.427 3.706 -8.250 1.00 0.56 H new ATOM 0 HG11 VAL A 33 -7.942 4.565 -10.579 1.00 0.56 H new ATOM 0 HG12 VAL A 33 -7.099 5.511 -9.329 1.00 0.56 H new ATOM 0 HG13 VAL A 33 -6.207 4.303 -10.285 1.00 0.56 H new ATOM 0 HG21 VAL A 33 -8.495 2.240 -10.258 1.00 0.65 H new ATOM 0 HG22 VAL A 33 -6.786 1.822 -9.989 1.00 0.65 H new ATOM 0 HG23 VAL A 33 -8.015 1.361 -8.787 1.00 0.65 H new ATOM 497 N GLY A 34 -6.121 1.321 -6.374 1.00 0.51 N ATOM 498 CA GLY A 34 -6.462 0.307 -5.387 1.00 0.55 C ATOM 499 C GLY A 34 -5.484 -0.859 -5.402 1.00 0.56 C ATOM 500 O GLY A 34 -4.485 -0.858 -6.125 1.00 0.52 O ATOM 0 H GLY A 34 -5.279 1.104 -6.907 1.00 0.51 H new ATOM 0 HA2 GLY A 34 -6.473 0.757 -4.394 1.00 0.55 H new ATOM 0 HA3 GLY A 34 -7.469 -0.063 -5.581 1.00 0.55 H new ATOM 504 N ALA A 35 -5.812 -1.875 -4.612 1.00 0.66 N ATOM 505 CA ALA A 35 -5.143 -3.168 -4.599 1.00 0.70 C ATOM 506 C ALA A 35 -6.163 -4.294 -4.366 1.00 0.72 C ATOM 507 O ALA A 35 -7.343 -4.000 -4.176 1.00 0.82 O ATOM 508 CB ALA A 35 -4.078 -3.151 -3.498 1.00 0.96 C ATOM 0 H ALA A 35 -6.578 -1.818 -3.940 1.00 0.66 H new ATOM 0 HA ALA A 35 -4.665 -3.354 -5.561 1.00 0.70 H new ATOM 0 HB1 ALA A 35 -3.565 -4.113 -3.473 1.00 0.96 H new ATOM 0 HB2 ALA A 35 -3.356 -2.360 -3.702 1.00 0.96 H new ATOM 0 HB3 ALA A 35 -4.554 -2.968 -2.534 1.00 0.96 H new ATOM 514 N ARG A 36 -5.728 -5.563 -4.347 1.00 0.74 N ATOM 515 CA ARG A 36 -6.611 -6.709 -4.083 1.00 0.75 C ATOM 516 C ARG A 36 -5.738 -7.934 -3.828 1.00 0.67 C ATOM 517 O ARG A 36 -4.721 -8.093 -4.482 1.00 0.79 O ATOM 518 CB ARG A 36 -7.613 -6.841 -5.260 1.00 1.04 C ATOM 519 CG ARG A 36 -7.859 -8.219 -5.888 1.00 1.26 C ATOM 520 CD ARG A 36 -8.830 -9.142 -5.156 1.00 2.38 C ATOM 521 NE ARG A 36 -9.165 -10.252 -6.064 1.00 3.21 N ATOM 522 CZ ARG A 36 -10.159 -10.271 -6.942 1.00 3.83 C ATOM 523 NH1 ARG A 36 -11.165 -9.417 -6.891 1.00 4.20 N ATOM 524 NH2 ARG A 36 -10.152 -11.157 -7.914 1.00 4.92 N ATOM 0 H ARG A 36 -4.756 -5.823 -4.514 1.00 0.74 H new ATOM 0 HA ARG A 36 -7.222 -6.583 -3.189 1.00 0.75 H new ATOM 0 HB2 ARG A 36 -8.575 -6.462 -4.915 1.00 1.04 H new ATOM 0 HB3 ARG A 36 -7.275 -6.175 -6.054 1.00 1.04 H new ATOM 0 HG2 ARG A 36 -8.230 -8.070 -6.902 1.00 1.26 H new ATOM 0 HG3 ARG A 36 -6.900 -8.731 -5.972 1.00 1.26 H new ATOM 0 HD2 ARG A 36 -8.379 -9.521 -4.239 1.00 2.38 H new ATOM 0 HD3 ARG A 36 -9.730 -8.599 -4.868 1.00 2.38 H new ATOM 0 HE ARG A 36 -8.578 -11.084 -6.013 1.00 3.21 H new ATOM 0 HH11 ARG A 36 -11.197 -8.709 -6.157 1.00 4.20 H new ATOM 0 HH12 ARG A 36 -11.910 -9.465 -7.586 1.00 4.20 H new ATOM 0 HH21 ARG A 36 -9.385 -11.825 -7.990 1.00 4.92 H new ATOM 0 HH22 ARG A 36 -10.914 -11.176 -8.592 1.00 4.92 H new ATOM 538 N THR A 37 -6.113 -8.814 -2.904 1.00 0.59 N ATOM 539 CA THR A 37 -5.366 -10.034 -2.547 1.00 0.66 C ATOM 540 C THR A 37 -6.368 -11.086 -2.062 1.00 0.73 C ATOM 541 O THR A 37 -7.427 -10.677 -1.577 1.00 0.70 O ATOM 542 CB THR A 37 -4.291 -9.719 -1.494 1.00 0.67 C ATOM 543 OG1 THR A 37 -3.720 -10.917 -1.039 1.00 0.89 O ATOM 544 CG2 THR A 37 -4.806 -8.950 -0.275 1.00 0.59 C ATOM 0 H THR A 37 -6.970 -8.702 -2.362 1.00 0.59 H new ATOM 0 HA THR A 37 -4.838 -10.429 -3.415 1.00 0.66 H new ATOM 0 HB THR A 37 -3.567 -9.078 -1.996 1.00 0.67 H new ATOM 0 HG1 THR A 37 -2.960 -11.155 -1.610 1.00 0.89 H new ATOM 0 HG21 THR A 37 -3.983 -8.770 0.416 1.00 0.59 H new ATOM 0 HG22 THR A 37 -5.225 -7.996 -0.597 1.00 0.59 H new ATOM 0 HG23 THR A 37 -5.578 -9.535 0.225 1.00 0.59 H new ATOM 552 N PRO A 38 -6.089 -12.406 -2.135 1.00 0.93 N ATOM 553 CA PRO A 38 -6.927 -13.418 -1.485 1.00 1.01 C ATOM 554 C PRO A 38 -6.985 -13.301 0.039 1.00 0.97 C ATOM 555 O PRO A 38 -7.839 -13.934 0.654 1.00 1.04 O ATOM 556 CB PRO A 38 -6.313 -14.760 -1.880 1.00 1.17 C ATOM 557 CG PRO A 38 -4.862 -14.440 -2.208 1.00 1.20 C ATOM 558 CD PRO A 38 -4.986 -13.057 -2.838 1.00 1.16 C ATOM 0 HA PRO A 38 -7.960 -13.295 -1.810 1.00 1.01 H new ATOM 0 HB2 PRO A 38 -6.385 -15.483 -1.067 1.00 1.17 H new ATOM 0 HB3 PRO A 38 -6.827 -15.193 -2.738 1.00 1.17 H new ATOM 0 HG2 PRO A 38 -4.234 -14.429 -1.317 1.00 1.20 H new ATOM 0 HG3 PRO A 38 -4.428 -15.166 -2.896 1.00 1.20 H new ATOM 0 HD2 PRO A 38 -4.061 -12.491 -2.727 1.00 1.16 H new ATOM 0 HD3 PRO A 38 -5.190 -13.129 -3.906 1.00 1.16 H new ATOM 566 N VAL A 39 -6.079 -12.534 0.646 1.00 0.92 N ATOM 567 CA VAL A 39 -5.974 -12.422 2.118 1.00 0.93 C ATOM 568 C VAL A 39 -6.786 -11.280 2.770 1.00 0.87 C ATOM 569 O VAL A 39 -6.743 -11.167 3.993 1.00 0.96 O ATOM 570 CB VAL A 39 -4.508 -12.444 2.623 1.00 0.95 C ATOM 571 CG1 VAL A 39 -3.697 -13.514 1.869 1.00 1.14 C ATOM 572 CG2 VAL A 39 -3.783 -11.092 2.569 1.00 0.84 C ATOM 0 H VAL A 39 -5.395 -11.971 0.141 1.00 0.92 H new ATOM 0 HA VAL A 39 -6.463 -13.332 2.464 1.00 0.93 H new ATOM 0 HB VAL A 39 -4.575 -12.693 3.682 1.00 0.95 H new ATOM 0 HG11 VAL A 39 -2.670 -13.517 2.235 1.00 1.14 H new ATOM 0 HG12 VAL A 39 -4.144 -14.494 2.035 1.00 1.14 H new ATOM 0 HG13 VAL A 39 -3.702 -13.289 0.802 1.00 1.14 H new ATOM 0 HG21 VAL A 39 -2.766 -11.210 2.942 1.00 0.84 H new ATOM 0 HG22 VAL A 39 -3.753 -10.736 1.539 1.00 0.84 H new ATOM 0 HG23 VAL A 39 -4.315 -10.369 3.187 1.00 0.84 H new ATOM 582 N ALA A 40 -7.541 -10.449 2.029 1.00 0.83 N ATOM 583 CA ALA A 40 -8.193 -9.248 2.600 1.00 0.81 C ATOM 584 C ALA A 40 -9.648 -9.025 2.146 1.00 0.98 C ATOM 585 O ALA A 40 -9.983 -9.296 0.995 1.00 1.33 O ATOM 586 CB ALA A 40 -7.345 -8.024 2.246 1.00 0.97 C ATOM 0 H ALA A 40 -7.717 -10.584 1.033 1.00 0.83 H new ATOM 0 HA ALA A 40 -8.252 -9.406 3.677 1.00 0.81 H new ATOM 0 HB1 ALA A 40 -7.809 -7.128 2.658 1.00 0.97 H new ATOM 0 HB2 ALA A 40 -6.345 -8.140 2.665 1.00 0.97 H new ATOM 0 HB3 ALA A 40 -7.275 -7.931 1.162 1.00 0.97 H new ATOM 592 N GLU A 41 -10.486 -8.513 3.059 1.00 1.04 N ATOM 593 CA GLU A 41 -11.904 -8.205 2.821 1.00 1.43 C ATOM 594 C GLU A 41 -12.057 -6.759 2.298 1.00 1.53 C ATOM 595 O GLU A 41 -12.210 -6.539 1.098 1.00 1.77 O ATOM 596 CB GLU A 41 -12.706 -8.481 4.116 1.00 1.66 C ATOM 597 CG GLU A 41 -14.168 -8.886 3.877 1.00 2.06 C ATOM 598 CD GLU A 41 -14.257 -10.294 3.292 1.00 2.54 C ATOM 599 OE1 GLU A 41 -13.663 -11.228 3.873 1.00 3.58 O ATOM 600 OE2 GLU A 41 -14.784 -10.452 2.169 1.00 2.63 O ATOM 0 H GLU A 41 -10.188 -8.296 4.010 1.00 1.04 H new ATOM 0 HA GLU A 41 -12.313 -8.850 2.044 1.00 1.43 H new ATOM 0 HB2 GLU A 41 -12.208 -9.273 4.676 1.00 1.66 H new ATOM 0 HB3 GLU A 41 -12.686 -7.588 4.740 1.00 1.66 H new ATOM 0 HG2 GLU A 41 -14.719 -8.843 4.816 1.00 2.06 H new ATOM 0 HG3 GLU A 41 -14.640 -8.176 3.198 1.00 2.06 H new ATOM 607 N ARG A 42 -11.942 -5.754 3.177 1.00 1.52 N ATOM 608 CA ARG A 42 -11.841 -4.346 2.790 1.00 1.58 C ATOM 609 C ARG A 42 -10.400 -4.049 2.387 1.00 1.07 C ATOM 610 O ARG A 42 -9.491 -4.267 3.188 1.00 1.15 O ATOM 611 CB ARG A 42 -12.243 -3.455 3.974 1.00 2.03 C ATOM 612 CG ARG A 42 -12.148 -1.943 3.688 1.00 2.31 C ATOM 613 CD ARG A 42 -12.215 -1.114 4.977 1.00 2.94 C ATOM 614 NE ARG A 42 -13.521 -1.223 5.651 1.00 3.29 N ATOM 615 CZ ARG A 42 -14.509 -0.338 5.576 1.00 3.39 C ATOM 616 NH1 ARG A 42 -14.443 0.750 4.840 1.00 3.41 N ATOM 617 NH2 ARG A 42 -15.612 -0.541 6.262 1.00 4.28 N ATOM 0 H ARG A 42 -11.917 -5.900 4.186 1.00 1.52 H new ATOM 0 HA ARG A 42 -12.508 -4.143 1.952 1.00 1.58 H new ATOM 0 HB2 ARG A 42 -13.266 -3.695 4.264 1.00 2.03 H new ATOM 0 HB3 ARG A 42 -11.606 -3.693 4.826 1.00 2.03 H new ATOM 0 HG2 ARG A 42 -11.215 -1.730 3.167 1.00 2.31 H new ATOM 0 HG3 ARG A 42 -12.959 -1.647 3.023 1.00 2.31 H new ATOM 0 HD2 ARG A 42 -11.430 -1.443 5.658 1.00 2.94 H new ATOM 0 HD3 ARG A 42 -12.017 -0.068 4.743 1.00 2.94 H new ATOM 0 HE ARG A 42 -13.680 -2.051 6.226 1.00 3.29 H new ATOM 0 HH11 ARG A 42 -13.605 0.945 4.292 1.00 3.41 H new ATOM 0 HH12 ARG A 42 -15.230 1.398 4.817 1.00 3.41 H new ATOM 0 HH21 ARG A 42 -15.704 -1.372 6.846 1.00 4.28 H new ATOM 0 HH22 ARG A 42 -16.376 0.133 6.211 1.00 4.28 H new ATOM 631 N VAL A 43 -10.217 -3.469 1.202 1.00 0.97 N ATOM 632 CA VAL A 43 -8.955 -2.874 0.734 1.00 0.78 C ATOM 633 C VAL A 43 -9.173 -1.409 0.333 1.00 0.81 C ATOM 634 O VAL A 43 -10.099 -1.115 -0.419 1.00 1.10 O ATOM 635 CB VAL A 43 -8.333 -3.713 -0.404 1.00 1.12 C ATOM 636 CG1 VAL A 43 -9.255 -3.877 -1.624 1.00 1.56 C ATOM 637 CG2 VAL A 43 -6.957 -3.173 -0.828 1.00 1.17 C ATOM 0 H VAL A 43 -10.966 -3.395 0.514 1.00 0.97 H new ATOM 0 HA VAL A 43 -8.236 -2.883 1.553 1.00 0.78 H new ATOM 0 HB VAL A 43 -8.197 -4.709 0.016 1.00 1.12 H new ATOM 0 HG11 VAL A 43 -8.752 -4.477 -2.382 1.00 1.56 H new ATOM 0 HG12 VAL A 43 -10.176 -4.374 -1.320 1.00 1.56 H new ATOM 0 HG13 VAL A 43 -9.492 -2.896 -2.036 1.00 1.56 H new ATOM 0 HG21 VAL A 43 -6.555 -3.792 -1.630 1.00 1.17 H new ATOM 0 HG22 VAL A 43 -7.061 -2.146 -1.179 1.00 1.17 H new ATOM 0 HG23 VAL A 43 -6.278 -3.198 0.024 1.00 1.17 H new ATOM 647 N GLU A 44 -8.332 -0.500 0.848 1.00 0.64 N ATOM 648 CA GLU A 44 -8.367 0.955 0.590 1.00 0.64 C ATOM 649 C GLU A 44 -6.946 1.539 0.546 1.00 0.59 C ATOM 650 O GLU A 44 -6.171 1.267 1.461 1.00 0.61 O ATOM 651 CB GLU A 44 -9.090 1.691 1.735 1.00 0.70 C ATOM 652 CG GLU A 44 -10.597 1.437 1.817 1.00 0.95 C ATOM 653 CD GLU A 44 -11.244 2.115 3.027 1.00 1.27 C ATOM 654 OE1 GLU A 44 -10.606 2.981 3.673 1.00 2.43 O ATOM 655 OE2 GLU A 44 -12.395 1.726 3.331 1.00 2.00 O ATOM 0 H GLU A 44 -7.577 -0.764 1.481 1.00 0.64 H new ATOM 0 HA GLU A 44 -8.880 1.091 -0.362 1.00 0.64 H new ATOM 0 HB2 GLU A 44 -8.635 1.396 2.681 1.00 0.70 H new ATOM 0 HB3 GLU A 44 -8.923 2.762 1.621 1.00 0.70 H new ATOM 0 HG2 GLU A 44 -11.073 1.799 0.905 1.00 0.95 H new ATOM 0 HG3 GLU A 44 -10.778 0.363 1.867 1.00 0.95 H new ATOM 662 N LEU A 45 -6.592 2.377 -0.446 1.00 0.58 N ATOM 663 CA LEU A 45 -5.332 3.119 -0.432 1.00 0.56 C ATOM 664 C LEU A 45 -5.428 4.346 0.475 1.00 0.48 C ATOM 665 O LEU A 45 -6.218 5.262 0.237 1.00 0.50 O ATOM 666 CB LEU A 45 -4.919 3.495 -1.866 1.00 0.65 C ATOM 667 CG LEU A 45 -3.409 3.796 -1.957 1.00 0.65 C ATOM 668 CD1 LEU A 45 -2.923 3.586 -3.381 1.00 0.86 C ATOM 669 CD2 LEU A 45 -3.030 5.239 -1.622 1.00 0.68 C ATOM 0 H LEU A 45 -7.169 2.553 -1.268 1.00 0.58 H new ATOM 0 HA LEU A 45 -4.553 2.478 -0.019 1.00 0.56 H new ATOM 0 HB2 LEU A 45 -5.170 2.679 -2.544 1.00 0.65 H new ATOM 0 HB3 LEU A 45 -5.486 4.367 -2.192 1.00 0.65 H new ATOM 0 HG LEU A 45 -2.955 3.123 -1.230 1.00 0.65 H new ATOM 0 HD11 LEU A 45 -1.856 3.801 -3.437 1.00 0.86 H new ATOM 0 HD12 LEU A 45 -3.101 2.552 -3.678 1.00 0.86 H new ATOM 0 HD13 LEU A 45 -3.463 4.254 -4.052 1.00 0.86 H new ATOM 0 HD21 LEU A 45 -1.951 5.362 -1.711 1.00 0.68 H new ATOM 0 HD22 LEU A 45 -3.531 5.917 -2.314 1.00 0.68 H new ATOM 0 HD23 LEU A 45 -3.338 5.469 -0.602 1.00 0.68 H new ATOM 681 N HIS A 46 -4.573 4.351 1.491 1.00 0.46 N ATOM 682 CA HIS A 46 -4.373 5.425 2.459 1.00 0.48 C ATOM 683 C HIS A 46 -3.002 6.112 2.278 1.00 0.53 C ATOM 684 O HIS A 46 -2.044 5.517 1.771 1.00 0.54 O ATOM 685 CB HIS A 46 -4.512 4.873 3.897 1.00 0.53 C ATOM 686 CG HIS A 46 -5.900 4.502 4.392 1.00 0.53 C ATOM 687 ND1 HIS A 46 -6.280 4.499 5.738 1.00 0.61 N ATOM 688 CD2 HIS A 46 -6.996 4.166 3.648 1.00 0.54 C ATOM 689 CE1 HIS A 46 -7.568 4.115 5.760 1.00 0.60 C ATOM 690 NE2 HIS A 46 -8.025 3.891 4.520 1.00 0.57 N ATOM 0 H HIS A 46 -3.962 3.555 1.673 1.00 0.46 H new ATOM 0 HA HIS A 46 -5.142 6.178 2.285 1.00 0.48 H new ATOM 0 HB2 HIS A 46 -3.882 3.987 3.976 1.00 0.53 H new ATOM 0 HB3 HIS A 46 -4.102 5.617 4.580 1.00 0.53 H new ATOM 0 HD2 HIS A 46 -7.046 4.124 2.570 1.00 0.54 H new ATOM 0 HE1 HIS A 46 -8.157 4.002 6.658 1.00 0.60 H new ATOM 0 HE2 HIS A 46 -8.962 3.575 4.269 1.00 0.57 H new ATOM 698 N GLU A 47 -2.923 7.359 2.735 1.00 0.65 N ATOM 699 CA GLU A 47 -1.695 8.151 2.820 1.00 0.78 C ATOM 700 C GLU A 47 -1.335 8.500 4.273 1.00 0.79 C ATOM 701 O GLU A 47 -2.009 8.065 5.211 1.00 0.84 O ATOM 702 CB GLU A 47 -1.825 9.419 1.970 1.00 1.03 C ATOM 703 CG GLU A 47 -2.893 10.404 2.462 1.00 1.14 C ATOM 704 CD GLU A 47 -2.636 11.808 1.922 1.00 1.68 C ATOM 705 OE1 GLU A 47 -1.997 11.931 0.852 1.00 2.85 O ATOM 706 OE2 GLU A 47 -3.071 12.748 2.624 1.00 1.98 O ATOM 0 H GLU A 47 -3.742 7.866 3.069 1.00 0.65 H new ATOM 0 HA GLU A 47 -0.880 7.544 2.427 1.00 0.78 H new ATOM 0 HB2 GLU A 47 -0.861 9.928 1.948 1.00 1.03 H new ATOM 0 HB3 GLU A 47 -2.057 9.132 0.944 1.00 1.03 H new ATOM 0 HG2 GLU A 47 -3.879 10.064 2.145 1.00 1.14 H new ATOM 0 HG3 GLU A 47 -2.898 10.425 3.552 1.00 1.14 H new ATOM 713 N THR A 48 -0.282 9.303 4.464 1.00 0.89 N ATOM 714 CA THR A 48 0.097 9.930 5.735 1.00 1.02 C ATOM 715 C THR A 48 0.390 11.398 5.478 1.00 1.07 C ATOM 716 O THR A 48 1.335 11.722 4.765 1.00 1.21 O ATOM 717 CB THR A 48 1.339 9.272 6.334 1.00 1.31 C ATOM 718 OG1 THR A 48 1.112 7.889 6.372 1.00 1.47 O ATOM 719 CG2 THR A 48 1.605 9.755 7.760 1.00 1.44 C ATOM 0 H THR A 48 0.356 9.544 3.705 1.00 0.89 H new ATOM 0 HA THR A 48 -0.724 9.811 6.442 1.00 1.02 H new ATOM 0 HB THR A 48 2.203 9.531 5.722 1.00 1.31 H new ATOM 0 HG1 THR A 48 1.002 7.550 5.459 1.00 1.47 H new ATOM 0 HG21 THR A 48 2.496 9.264 8.150 1.00 1.44 H new ATOM 0 HG22 THR A 48 1.758 10.834 7.756 1.00 1.44 H new ATOM 0 HG23 THR A 48 0.751 9.512 8.392 1.00 1.44 H new ATOM 727 N PHE A 49 -0.388 12.274 6.107 1.00 1.15 N ATOM 728 CA PHE A 49 -0.208 13.724 6.058 1.00 1.22 C ATOM 729 C PHE A 49 0.129 14.287 7.448 1.00 1.14 C ATOM 730 O PHE A 49 0.137 13.571 8.453 1.00 1.31 O ATOM 731 CB PHE A 49 -1.485 14.361 5.475 1.00 1.25 C ATOM 732 CG PHE A 49 -2.731 14.182 6.327 1.00 1.16 C ATOM 733 CD1 PHE A 49 -3.053 15.112 7.335 1.00 2.09 C ATOM 734 CD2 PHE A 49 -3.557 13.062 6.129 1.00 1.93 C ATOM 735 CE1 PHE A 49 -4.175 14.911 8.155 1.00 2.04 C ATOM 736 CE2 PHE A 49 -4.678 12.857 6.947 1.00 1.95 C ATOM 737 CZ PHE A 49 -4.986 13.781 7.960 1.00 1.11 C ATOM 0 H PHE A 49 -1.182 11.989 6.680 1.00 1.15 H new ATOM 0 HA PHE A 49 0.636 13.969 5.413 1.00 1.22 H new ATOM 0 HB2 PHE A 49 -1.310 15.427 5.332 1.00 1.25 H new ATOM 0 HB3 PHE A 49 -1.671 13.933 4.490 1.00 1.25 H new ATOM 0 HD1 PHE A 49 -2.433 15.985 7.478 1.00 2.09 H new ATOM 0 HD2 PHE A 49 -3.328 12.357 5.344 1.00 1.93 H new ATOM 0 HE1 PHE A 49 -4.413 15.622 8.932 1.00 2.04 H new ATOM 0 HE2 PHE A 49 -5.304 11.990 6.798 1.00 1.95 H new ATOM 0 HZ PHE A 49 -5.849 13.622 8.590 1.00 1.11 H new ATOM 747 N MET A 50 0.335 15.608 7.517 1.00 1.12 N ATOM 748 CA MET A 50 0.291 16.371 8.769 1.00 1.15 C ATOM 749 C MET A 50 -0.328 17.759 8.562 1.00 1.16 C ATOM 750 O MET A 50 0.070 18.494 7.658 1.00 1.78 O ATOM 751 CB MET A 50 1.680 16.426 9.429 1.00 1.70 C ATOM 752 CG MET A 50 2.733 17.209 8.636 1.00 2.22 C ATOM 753 SD MET A 50 4.368 17.247 9.409 1.00 3.07 S ATOM 754 CE MET A 50 4.916 15.556 9.069 1.00 4.20 C ATOM 0 H MET A 50 0.539 16.181 6.698 1.00 1.12 H new ATOM 0 HA MET A 50 -0.366 15.849 9.464 1.00 1.15 H new ATOM 0 HB2 MET A 50 1.581 16.875 10.417 1.00 1.70 H new ATOM 0 HB3 MET A 50 2.038 15.407 9.576 1.00 1.70 H new ATOM 0 HG2 MET A 50 2.824 16.770 7.642 1.00 2.22 H new ATOM 0 HG3 MET A 50 2.383 18.233 8.502 1.00 2.22 H new ATOM 0 HE1 MET A 50 5.963 15.449 9.352 1.00 4.20 H new ATOM 0 HE2 MET A 50 4.311 14.855 9.644 1.00 4.20 H new ATOM 0 HE3 MET A 50 4.804 15.344 8.006 1.00 4.20 H new ATOM 764 N ARG A 51 -1.319 18.114 9.388 1.00 1.01 N ATOM 765 CA ARG A 51 -2.113 19.338 9.246 1.00 1.06 C ATOM 766 C ARG A 51 -2.365 20.021 10.593 1.00 1.12 C ATOM 767 O ARG A 51 -2.391 19.378 11.641 1.00 1.35 O ATOM 768 CB ARG A 51 -3.432 18.997 8.534 1.00 1.32 C ATOM 769 CG ARG A 51 -4.104 20.242 7.940 1.00 2.59 C ATOM 770 CD ARG A 51 -5.369 19.865 7.171 1.00 3.06 C ATOM 771 NE ARG A 51 -5.944 21.060 6.522 1.00 4.30 N ATOM 772 CZ ARG A 51 -6.083 21.294 5.219 1.00 5.41 C ATOM 773 NH1 ARG A 51 -5.829 20.381 4.301 1.00 5.79 N ATOM 774 NH2 ARG A 51 -6.483 22.482 4.816 1.00 6.57 N ATOM 0 H ARG A 51 -1.596 17.547 10.189 1.00 1.01 H new ATOM 0 HA ARG A 51 -1.550 20.053 8.645 1.00 1.06 H new ATOM 0 HB2 ARG A 51 -3.239 18.276 7.740 1.00 1.32 H new ATOM 0 HB3 ARG A 51 -4.112 18.520 9.240 1.00 1.32 H new ATOM 0 HG2 ARG A 51 -4.354 20.941 8.738 1.00 2.59 H new ATOM 0 HG3 ARG A 51 -3.408 20.753 7.275 1.00 2.59 H new ATOM 0 HD2 ARG A 51 -5.136 19.110 6.420 1.00 3.06 H new ATOM 0 HD3 ARG A 51 -6.099 19.424 7.850 1.00 3.06 H new ATOM 0 HE ARG A 51 -6.275 21.795 7.147 1.00 4.30 H new ATOM 0 HH11 ARG A 51 -5.512 19.452 4.579 1.00 5.79 H new ATOM 0 HH12 ARG A 51 -5.949 20.604 3.313 1.00 5.79 H new ATOM 0 HH21 ARG A 51 -6.683 23.212 5.500 1.00 6.57 H new ATOM 0 HH22 ARG A 51 -6.593 22.672 3.820 1.00 6.57 H new ATOM 788 N GLU A 52 -2.484 21.338 10.548 1.00 1.12 N ATOM 789 CA GLU A 52 -2.868 22.204 11.659 1.00 1.20 C ATOM 790 C GLU A 52 -4.299 21.974 12.156 1.00 1.23 C ATOM 791 O GLU A 52 -5.189 21.633 11.381 1.00 1.38 O ATOM 792 CB GLU A 52 -2.465 23.646 11.486 1.00 1.37 C ATOM 793 CG GLU A 52 -2.988 24.127 10.187 1.00 3.06 C ATOM 794 CD GLU A 52 -1.977 23.928 9.054 1.00 3.75 C ATOM 795 OE1 GLU A 52 -0.965 24.649 8.985 1.00 4.04 O ATOM 796 OE2 GLU A 52 -2.056 22.890 8.352 1.00 4.74 O ATOM 0 H GLU A 52 -2.307 21.863 9.692 1.00 1.12 H new ATOM 0 HA GLU A 52 -2.254 21.879 12.499 1.00 1.20 H new ATOM 0 HB2 GLU A 52 -2.862 24.251 12.301 1.00 1.37 H new ATOM 0 HB3 GLU A 52 -1.380 23.742 11.517 1.00 1.37 H new ATOM 0 HG2 GLU A 52 -3.910 23.596 9.948 1.00 3.06 H new ATOM 0 HG3 GLU A 52 -3.240 25.184 10.267 1.00 3.06 H new ATOM 803 N VAL A 53 -4.472 22.161 13.460 1.00 1.25 N ATOM 804 CA VAL A 53 -5.740 22.086 14.200 1.00 1.41 C ATOM 805 C VAL A 53 -5.827 23.266 15.170 1.00 1.62 C ATOM 806 O VAL A 53 -6.264 24.352 14.802 1.00 2.74 O ATOM 807 CB VAL A 53 -6.021 20.668 14.746 1.00 1.47 C ATOM 808 CG1 VAL A 53 -4.909 20.101 15.630 1.00 2.36 C ATOM 809 CG2 VAL A 53 -7.382 20.579 15.454 1.00 2.86 C ATOM 0 H VAL A 53 -3.687 22.383 14.072 1.00 1.25 H new ATOM 0 HA VAL A 53 -6.595 22.217 13.537 1.00 1.41 H new ATOM 0 HB VAL A 53 -6.051 20.035 13.859 1.00 1.47 H new ATOM 0 HG11 VAL A 53 -5.188 19.104 15.970 1.00 2.36 H new ATOM 0 HG12 VAL A 53 -3.983 20.044 15.058 1.00 2.36 H new ATOM 0 HG13 VAL A 53 -4.763 20.751 16.493 1.00 2.36 H new ATOM 0 HG21 VAL A 53 -7.536 19.564 15.821 1.00 2.86 H new ATOM 0 HG22 VAL A 53 -7.402 21.275 16.293 1.00 2.86 H new ATOM 0 HG23 VAL A 53 -8.175 20.835 14.751 1.00 2.86 H new ATOM 819 N GLU A 54 -5.274 23.095 16.360 1.00 1.47 N ATOM 820 CA GLU A 54 -4.961 24.142 17.341 1.00 1.56 C ATOM 821 C GLU A 54 -3.678 24.912 16.932 1.00 1.47 C ATOM 822 O GLU A 54 -2.770 25.099 17.741 1.00 1.73 O ATOM 823 CB GLU A 54 -4.752 23.494 18.718 1.00 1.82 C ATOM 824 CG GLU A 54 -5.857 22.580 19.264 1.00 2.51 C ATOM 825 CD GLU A 54 -5.195 21.678 20.297 1.00 2.91 C ATOM 826 OE1 GLU A 54 -4.709 20.596 19.899 1.00 3.69 O ATOM 827 OE2 GLU A 54 -4.895 22.143 21.417 1.00 3.09 O ATOM 0 H GLU A 54 -5.013 22.168 16.695 1.00 1.47 H new ATOM 0 HA GLU A 54 -5.790 24.848 17.380 1.00 1.56 H new ATOM 0 HB2 GLU A 54 -3.830 22.914 18.677 1.00 1.82 H new ATOM 0 HB3 GLU A 54 -4.593 24.293 19.442 1.00 1.82 H new ATOM 0 HG2 GLU A 54 -6.658 23.165 19.716 1.00 2.51 H new ATOM 0 HG3 GLU A 54 -6.305 21.991 18.464 1.00 2.51 H new ATOM 834 N GLY A 55 -3.514 25.226 15.639 1.00 1.38 N ATOM 835 CA GLY A 55 -2.282 25.776 15.050 1.00 1.53 C ATOM 836 C GLY A 55 -1.150 24.749 14.913 1.00 1.63 C ATOM 837 O GLY A 55 -0.458 24.712 13.900 1.00 2.29 O ATOM 0 H GLY A 55 -4.257 25.101 14.952 1.00 1.38 H new ATOM 0 HA2 GLY A 55 -2.511 26.184 14.065 1.00 1.53 H new ATOM 0 HA3 GLY A 55 -1.935 26.606 15.666 1.00 1.53 H new ATOM 841 N LYS A 56 -0.984 23.857 15.894 1.00 1.36 N ATOM 842 CA LYS A 56 -0.037 22.747 15.868 1.00 1.54 C ATOM 843 C LYS A 56 -0.350 21.782 14.708 1.00 1.39 C ATOM 844 O LYS A 56 -1.509 21.419 14.499 1.00 1.12 O ATOM 845 CB LYS A 56 -0.039 22.067 17.254 1.00 1.73 C ATOM 846 CG LYS A 56 -1.331 21.288 17.571 1.00 2.56 C ATOM 847 CD LYS A 56 -1.416 20.682 18.979 1.00 2.93 C ATOM 848 CE LYS A 56 -1.611 21.734 20.085 1.00 2.65 C ATOM 849 NZ LYS A 56 -2.387 21.176 21.222 1.00 3.04 N ATOM 0 H LYS A 56 -1.526 23.892 16.757 1.00 1.36 H new ATOM 0 HA LYS A 56 0.973 23.109 15.675 1.00 1.54 H new ATOM 0 HB2 LYS A 56 0.808 21.384 17.313 1.00 1.73 H new ATOM 0 HB3 LYS A 56 0.111 22.828 18.020 1.00 1.73 H new ATOM 0 HG2 LYS A 56 -2.180 21.957 17.432 1.00 2.56 H new ATOM 0 HG3 LYS A 56 -1.436 20.484 16.843 1.00 2.56 H new ATOM 0 HD2 LYS A 56 -2.243 19.973 19.012 1.00 2.93 H new ATOM 0 HD3 LYS A 56 -0.505 20.119 19.180 1.00 2.93 H new ATOM 0 HE2 LYS A 56 -0.639 22.079 20.438 1.00 2.65 H new ATOM 0 HE3 LYS A 56 -2.129 22.602 19.678 1.00 2.65 H new ATOM 0 HZ1 LYS A 56 -3.006 21.913 21.615 1.00 3.04 H new ATOM 0 HZ2 LYS A 56 -2.966 20.379 20.889 1.00 3.04 H new ATOM 0 HZ3 LYS A 56 -1.733 20.845 21.959 1.00 3.04 H new ATOM 863 N LYS A 57 0.667 21.368 13.943 1.00 1.74 N ATOM 864 CA LYS A 57 0.498 20.477 12.780 1.00 1.78 C ATOM 865 C LYS A 57 0.643 19.000 13.194 1.00 1.68 C ATOM 866 O LYS A 57 1.755 18.535 13.424 1.00 2.51 O ATOM 867 CB LYS A 57 1.456 20.872 11.638 1.00 2.52 C ATOM 868 CG LYS A 57 1.147 22.270 11.066 1.00 3.85 C ATOM 869 CD LYS A 57 2.094 22.685 9.928 1.00 4.41 C ATOM 870 CE LYS A 57 1.726 22.078 8.562 1.00 4.96 C ATOM 871 NZ LYS A 57 0.689 22.875 7.858 1.00 5.70 N ATOM 0 H LYS A 57 1.636 21.640 14.111 1.00 1.74 H new ATOM 0 HA LYS A 57 -0.514 20.597 12.394 1.00 1.78 H new ATOM 0 HB2 LYS A 57 2.482 20.852 12.005 1.00 2.52 H new ATOM 0 HB3 LYS A 57 1.389 20.133 10.839 1.00 2.52 H new ATOM 0 HG2 LYS A 57 0.121 22.286 10.699 1.00 3.85 H new ATOM 0 HG3 LYS A 57 1.210 23.005 11.868 1.00 3.85 H new ATOM 0 HD2 LYS A 57 2.093 23.772 9.845 1.00 4.41 H new ATOM 0 HD3 LYS A 57 3.110 22.386 10.186 1.00 4.41 H new ATOM 0 HE2 LYS A 57 2.619 22.016 7.941 1.00 4.96 H new ATOM 0 HE3 LYS A 57 1.366 21.059 8.704 1.00 4.96 H new ATOM 0 HZ1 LYS A 57 -0.179 22.309 7.763 1.00 5.70 H new ATOM 0 HZ2 LYS A 57 0.483 23.736 8.404 1.00 5.70 H new ATOM 0 HZ3 LYS A 57 1.035 23.138 6.913 1.00 5.70 H new ATOM 885 N VAL A 58 -0.479 18.287 13.304 1.00 1.07 N ATOM 886 CA VAL A 58 -0.584 16.909 13.818 1.00 0.96 C ATOM 887 C VAL A 58 -0.657 15.919 12.648 1.00 0.87 C ATOM 888 O VAL A 58 -1.281 16.214 11.627 1.00 1.09 O ATOM 889 CB VAL A 58 -1.818 16.744 14.740 1.00 1.08 C ATOM 890 CG1 VAL A 58 -1.850 15.370 15.430 1.00 1.79 C ATOM 891 CG2 VAL A 58 -1.851 17.825 15.835 1.00 1.51 C ATOM 0 H VAL A 58 -1.384 18.667 13.026 1.00 1.07 H new ATOM 0 HA VAL A 58 0.305 16.699 14.412 1.00 0.96 H new ATOM 0 HB VAL A 58 -2.687 16.841 14.089 1.00 1.08 H new ATOM 0 HG11 VAL A 58 -2.733 15.302 16.065 1.00 1.79 H new ATOM 0 HG12 VAL A 58 -1.885 14.584 14.675 1.00 1.79 H new ATOM 0 HG13 VAL A 58 -0.955 15.248 16.039 1.00 1.79 H new ATOM 0 HG21 VAL A 58 -2.729 17.679 16.464 1.00 1.51 H new ATOM 0 HG22 VAL A 58 -0.951 17.752 16.446 1.00 1.51 H new ATOM 0 HG23 VAL A 58 -1.896 18.811 15.372 1.00 1.51 H new ATOM 901 N MET A 59 -0.003 14.763 12.789 1.00 1.04 N ATOM 902 CA MET A 59 0.071 13.693 11.786 1.00 1.07 C ATOM 903 C MET A 59 -1.200 12.822 11.764 1.00 1.02 C ATOM 904 O MET A 59 -1.873 12.686 12.782 1.00 1.14 O ATOM 905 CB MET A 59 1.306 12.809 12.051 1.00 1.26 C ATOM 906 CG MET A 59 2.631 13.587 12.099 1.00 2.29 C ATOM 907 SD MET A 59 2.974 14.477 13.643 1.00 3.47 S ATOM 908 CE MET A 59 4.030 15.797 12.996 1.00 3.68 C ATOM 0 H MET A 59 0.511 14.536 13.640 1.00 1.04 H new ATOM 0 HA MET A 59 0.157 14.169 10.809 1.00 1.07 H new ATOM 0 HB2 MET A 59 1.169 12.285 12.997 1.00 1.26 H new ATOM 0 HB3 MET A 59 1.370 12.049 11.272 1.00 1.26 H new ATOM 0 HG2 MET A 59 3.447 12.888 11.917 1.00 2.29 H new ATOM 0 HG3 MET A 59 2.638 14.305 11.279 1.00 2.29 H new ATOM 0 HE1 MET A 59 4.340 16.449 13.813 1.00 3.68 H new ATOM 0 HE2 MET A 59 4.911 15.361 12.526 1.00 3.68 H new ATOM 0 HE3 MET A 59 3.476 16.378 12.259 1.00 3.68 H new ATOM 918 N GLY A 60 -1.514 12.201 10.624 1.00 1.14 N ATOM 919 CA GLY A 60 -2.627 11.245 10.514 1.00 1.23 C ATOM 920 C GLY A 60 -2.677 10.485 9.191 1.00 1.12 C ATOM 921 O GLY A 60 -2.106 10.935 8.200 1.00 1.22 O ATOM 0 H GLY A 60 -1.007 12.344 9.751 1.00 1.14 H new ATOM 0 HA2 GLY A 60 -2.554 10.526 11.330 1.00 1.23 H new ATOM 0 HA3 GLY A 60 -3.566 11.782 10.646 1.00 1.23 H new ATOM 925 N MET A 61 -3.400 9.357 9.182 1.00 1.15 N ATOM 926 CA MET A 61 -3.641 8.507 8.005 1.00 1.03 C ATOM 927 C MET A 61 -5.122 8.523 7.604 1.00 1.02 C ATOM 928 O MET A 61 -6.004 8.414 8.457 1.00 1.43 O ATOM 929 CB MET A 61 -3.224 7.048 8.274 1.00 1.22 C ATOM 930 CG MET A 61 -1.712 6.833 8.403 1.00 1.49 C ATOM 931 SD MET A 61 -0.940 7.388 9.944 1.00 2.10 S ATOM 932 CE MET A 61 0.703 6.684 9.665 1.00 2.21 C ATOM 0 H MET A 61 -3.850 8.997 10.024 1.00 1.15 H new ATOM 0 HA MET A 61 -3.037 8.915 7.194 1.00 1.03 H new ATOM 0 HB2 MET A 61 -3.706 6.709 9.191 1.00 1.22 H new ATOM 0 HB3 MET A 61 -3.600 6.421 7.465 1.00 1.22 H new ATOM 0 HG2 MET A 61 -1.508 5.769 8.285 1.00 1.49 H new ATOM 0 HG3 MET A 61 -1.224 7.345 7.574 1.00 1.49 H new ATOM 0 HE1 MET A 61 0.987 6.072 10.521 1.00 2.21 H new ATOM 0 HE2 MET A 61 0.686 6.066 8.767 1.00 2.21 H new ATOM 0 HE3 MET A 61 1.427 7.489 9.538 1.00 2.21 H new ATOM 942 N ARG A 62 -5.396 8.621 6.298 1.00 0.79 N ATOM 943 CA ARG A 62 -6.745 8.575 5.703 1.00 0.76 C ATOM 944 C ARG A 62 -6.679 7.994 4.278 1.00 0.65 C ATOM 945 O ARG A 62 -5.621 8.101 3.653 1.00 0.65 O ATOM 946 CB ARG A 62 -7.383 9.981 5.645 1.00 0.87 C ATOM 947 CG ARG A 62 -7.817 10.535 7.015 1.00 2.20 C ATOM 948 CD ARG A 62 -8.599 11.851 6.885 1.00 2.72 C ATOM 949 NE ARG A 62 -10.058 11.625 6.814 1.00 3.97 N ATOM 950 CZ ARG A 62 -10.975 12.425 6.273 1.00 4.56 C ATOM 951 NH1 ARG A 62 -10.644 13.495 5.580 1.00 4.16 N ATOM 952 NH2 ARG A 62 -12.254 12.155 6.422 1.00 6.18 N ATOM 0 H ARG A 62 -4.663 8.739 5.599 1.00 0.79 H new ATOM 0 HA ARG A 62 -7.361 7.937 6.336 1.00 0.76 H new ATOM 0 HB2 ARG A 62 -6.671 10.673 5.195 1.00 0.87 H new ATOM 0 HB3 ARG A 62 -8.252 9.946 4.988 1.00 0.87 H new ATOM 0 HG2 ARG A 62 -8.434 9.796 7.525 1.00 2.20 H new ATOM 0 HG3 ARG A 62 -6.936 10.697 7.636 1.00 2.20 H new ATOM 0 HD2 ARG A 62 -8.373 12.492 7.737 1.00 2.72 H new ATOM 0 HD3 ARG A 62 -8.271 12.381 5.991 1.00 2.72 H new ATOM 0 HE ARG A 62 -10.402 10.758 7.226 1.00 3.97 H new ATOM 0 HH11 ARG A 62 -9.661 13.731 5.445 1.00 4.16 H new ATOM 0 HH12 ARG A 62 -11.371 14.087 5.178 1.00 4.16 H new ATOM 0 HH21 ARG A 62 -12.543 11.333 6.952 1.00 6.18 H new ATOM 0 HH22 ARG A 62 -12.956 12.768 6.008 1.00 6.18 H new ATOM 966 N PRO A 63 -7.788 7.431 3.750 1.00 0.64 N ATOM 967 CA PRO A 63 -7.875 7.023 2.356 1.00 0.63 C ATOM 968 C PRO A 63 -7.812 8.224 1.412 1.00 0.71 C ATOM 969 O PRO A 63 -8.227 9.326 1.765 1.00 0.88 O ATOM 970 CB PRO A 63 -9.164 6.216 2.187 1.00 0.67 C ATOM 971 CG PRO A 63 -10.017 6.665 3.360 1.00 0.76 C ATOM 972 CD PRO A 63 -9.041 7.143 4.434 1.00 0.68 C ATOM 0 HA PRO A 63 -7.020 6.402 2.091 1.00 0.63 H new ATOM 0 HB2 PRO A 63 -9.648 6.428 1.234 1.00 0.67 H new ATOM 0 HB3 PRO A 63 -8.973 5.143 2.216 1.00 0.67 H new ATOM 0 HG2 PRO A 63 -10.695 7.466 3.065 1.00 0.76 H new ATOM 0 HG3 PRO A 63 -10.633 5.846 3.730 1.00 0.76 H new ATOM 0 HD2 PRO A 63 -9.422 8.031 4.938 1.00 0.68 H new ATOM 0 HD3 PRO A 63 -8.900 6.379 5.199 1.00 0.68 H new ATOM 980 N VAL A 64 -7.310 7.965 0.205 1.00 0.63 N ATOM 981 CA VAL A 64 -7.253 8.899 -0.931 1.00 0.68 C ATOM 982 C VAL A 64 -7.916 8.259 -2.160 1.00 0.70 C ATOM 983 O VAL A 64 -7.988 7.031 -2.233 1.00 0.68 O ATOM 984 CB VAL A 64 -5.799 9.310 -1.284 1.00 0.67 C ATOM 985 CG1 VAL A 64 -5.418 10.588 -0.532 1.00 0.74 C ATOM 986 CG2 VAL A 64 -4.754 8.208 -1.037 1.00 0.72 C ATOM 0 H VAL A 64 -6.911 7.055 -0.024 1.00 0.63 H new ATOM 0 HA VAL A 64 -7.789 9.802 -0.637 1.00 0.68 H new ATOM 0 HB VAL A 64 -5.788 9.489 -2.359 1.00 0.67 H new ATOM 0 HG11 VAL A 64 -4.396 10.869 -0.786 1.00 0.74 H new ATOM 0 HG12 VAL A 64 -6.096 11.393 -0.815 1.00 0.74 H new ATOM 0 HG13 VAL A 64 -5.490 10.414 0.542 1.00 0.74 H new ATOM 0 HG21 VAL A 64 -3.765 8.577 -1.309 1.00 0.72 H new ATOM 0 HG22 VAL A 64 -4.760 7.930 0.017 1.00 0.72 H new ATOM 0 HG23 VAL A 64 -4.995 7.335 -1.644 1.00 0.72 H new ATOM 996 N PRO A 65 -8.387 9.058 -3.143 1.00 0.78 N ATOM 997 CA PRO A 65 -9.039 8.537 -4.341 1.00 0.83 C ATOM 998 C PRO A 65 -8.079 7.792 -5.277 1.00 0.70 C ATOM 999 O PRO A 65 -8.562 7.024 -6.104 1.00 0.76 O ATOM 1000 CB PRO A 65 -9.656 9.759 -5.029 1.00 0.96 C ATOM 1001 CG PRO A 65 -8.737 10.902 -4.605 1.00 0.92 C ATOM 1002 CD PRO A 65 -8.368 10.516 -3.175 1.00 0.86 C ATOM 0 HA PRO A 65 -9.787 7.790 -4.074 1.00 0.83 H new ATOM 0 HB2 PRO A 65 -9.679 9.642 -6.112 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -10.683 9.927 -4.705 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -7.858 10.975 -5.245 1.00 0.92 H new ATOM 0 HG3 PRO A 65 -9.243 11.867 -4.647 1.00 0.92 H new ATOM 0 HD2 PRO A 65 -7.384 10.901 -2.907 1.00 0.86 H new ATOM 0 HD3 PRO A 65 -9.079 10.933 -2.461 1.00 0.86 H new ATOM 1010 N PHE A 66 -6.756 7.993 -5.142 1.00 0.57 N ATOM 1011 CA PHE A 66 -5.687 7.338 -5.899 1.00 0.48 C ATOM 1012 C PHE A 66 -4.309 7.828 -5.430 1.00 0.47 C ATOM 1013 O PHE A 66 -4.182 8.849 -4.756 1.00 0.55 O ATOM 1014 CB PHE A 66 -5.853 7.511 -7.424 1.00 0.46 C ATOM 1015 CG PHE A 66 -5.908 8.937 -7.938 1.00 0.50 C ATOM 1016 CD1 PHE A 66 -4.721 9.648 -8.198 1.00 2.04 C ATOM 1017 CD2 PHE A 66 -7.152 9.539 -8.204 1.00 1.98 C ATOM 1018 CE1 PHE A 66 -4.777 10.949 -8.728 1.00 2.11 C ATOM 1019 CE2 PHE A 66 -7.209 10.843 -8.728 1.00 1.98 C ATOM 1020 CZ PHE A 66 -6.021 11.547 -8.993 1.00 0.75 C ATOM 0 H PHE A 66 -6.388 8.657 -4.460 1.00 0.57 H new ATOM 0 HA PHE A 66 -5.760 6.269 -5.697 1.00 0.48 H new ATOM 0 HB2 PHE A 66 -5.026 7.001 -7.918 1.00 0.46 H new ATOM 0 HB3 PHE A 66 -6.768 7.002 -7.728 1.00 0.46 H new ATOM 0 HD1 PHE A 66 -3.764 9.192 -7.990 1.00 2.04 H new ATOM 0 HD2 PHE A 66 -8.065 8.998 -8.005 1.00 1.98 H new ATOM 0 HE1 PHE A 66 -3.864 11.489 -8.932 1.00 2.11 H new ATOM 0 HE2 PHE A 66 -8.165 11.304 -8.927 1.00 1.98 H new ATOM 0 HZ PHE A 66 -6.064 12.546 -9.400 1.00 0.75 H new ATOM 1030 N LEU A 67 -3.275 7.107 -5.863 1.00 0.44 N ATOM 1031 CA LEU A 67 -1.902 7.582 -6.017 1.00 0.44 C ATOM 1032 C LEU A 67 -1.532 7.584 -7.502 1.00 0.44 C ATOM 1033 O LEU A 67 -2.191 6.927 -8.308 1.00 0.43 O ATOM 1034 CB LEU A 67 -0.941 6.645 -5.264 1.00 0.47 C ATOM 1035 CG LEU A 67 -0.395 7.194 -3.939 1.00 0.56 C ATOM 1036 CD1 LEU A 67 0.658 6.178 -3.479 1.00 1.00 C ATOM 1037 CD2 LEU A 67 0.294 8.564 -4.076 1.00 0.83 C ATOM 0 H LEU A 67 -3.378 6.128 -6.129 1.00 0.44 H new ATOM 0 HA LEU A 67 -1.822 8.590 -5.611 1.00 0.44 H new ATOM 0 HB2 LEU A 67 -1.457 5.706 -5.064 1.00 0.47 H new ATOM 0 HB3 LEU A 67 -0.099 6.413 -5.917 1.00 0.47 H new ATOM 0 HG LEU A 67 -1.223 7.333 -3.244 1.00 0.56 H new ATOM 0 HD11 LEU A 67 1.092 6.506 -2.535 1.00 1.00 H new ATOM 0 HD12 LEU A 67 0.189 5.204 -3.343 1.00 1.00 H new ATOM 0 HD13 LEU A 67 1.443 6.101 -4.232 1.00 1.00 H new ATOM 0 HD21 LEU A 67 0.655 8.889 -3.100 1.00 0.83 H new ATOM 0 HD22 LEU A 67 1.135 8.481 -4.765 1.00 0.83 H new ATOM 0 HD23 LEU A 67 -0.419 9.293 -4.461 1.00 0.83 H new ATOM 1049 N GLU A 68 -0.431 8.229 -7.878 1.00 0.52 N ATOM 1050 CA GLU A 68 0.068 8.195 -9.252 1.00 0.60 C ATOM 1051 C GLU A 68 1.579 8.409 -9.309 1.00 0.68 C ATOM 1052 O GLU A 68 2.196 8.779 -8.312 1.00 0.72 O ATOM 1053 CB GLU A 68 -0.791 9.071 -10.183 1.00 0.74 C ATOM 1054 CG GLU A 68 -0.221 10.402 -10.653 1.00 1.11 C ATOM 1055 CD GLU A 68 -1.134 10.891 -11.781 1.00 1.42 C ATOM 1056 OE1 GLU A 68 -2.314 11.191 -11.489 1.00 1.76 O ATOM 1057 OE2 GLU A 68 -0.742 10.797 -12.963 1.00 2.45 O ATOM 0 H GLU A 68 0.139 8.788 -7.243 1.00 0.52 H new ATOM 0 HA GLU A 68 -0.056 7.192 -9.660 1.00 0.60 H new ATOM 0 HB2 GLU A 68 -1.029 8.481 -11.068 1.00 0.74 H new ATOM 0 HB3 GLU A 68 -1.732 9.275 -9.672 1.00 0.74 H new ATOM 0 HG2 GLU A 68 -0.194 11.123 -9.836 1.00 1.11 H new ATOM 0 HG3 GLU A 68 0.803 10.282 -11.007 1.00 1.11 H new ATOM 1064 N VAL A 69 2.169 8.067 -10.454 1.00 0.74 N ATOM 1065 CA VAL A 69 3.605 7.824 -10.622 1.00 0.77 C ATOM 1066 C VAL A 69 4.059 8.349 -11.988 1.00 0.75 C ATOM 1067 O VAL A 69 3.459 7.965 -12.995 1.00 0.79 O ATOM 1068 CB VAL A 69 3.942 6.309 -10.541 1.00 0.94 C ATOM 1069 CG1 VAL A 69 5.460 6.086 -10.442 1.00 1.02 C ATOM 1070 CG2 VAL A 69 3.238 5.585 -9.378 1.00 1.02 C ATOM 0 H VAL A 69 1.644 7.947 -11.320 1.00 0.74 H new ATOM 0 HA VAL A 69 4.124 8.343 -9.816 1.00 0.77 H new ATOM 0 HB VAL A 69 3.564 5.875 -11.467 1.00 0.94 H new ATOM 0 HG11 VAL A 69 5.668 5.017 -10.387 1.00 1.02 H new ATOM 0 HG12 VAL A 69 5.948 6.505 -11.322 1.00 1.02 H new ATOM 0 HG13 VAL A 69 5.842 6.577 -9.547 1.00 1.02 H new ATOM 0 HG21 VAL A 69 3.519 4.532 -9.382 1.00 1.02 H new ATOM 0 HG22 VAL A 69 3.539 6.037 -8.433 1.00 1.02 H new ATOM 0 HG23 VAL A 69 2.158 5.673 -9.495 1.00 1.02 H new ATOM 1080 N PRO A 70 5.121 9.171 -12.067 1.00 0.72 N ATOM 1081 CA PRO A 70 5.649 9.634 -13.339 1.00 0.73 C ATOM 1082 C PRO A 70 6.385 8.509 -14.089 1.00 0.76 C ATOM 1083 O PRO A 70 6.749 7.495 -13.489 1.00 0.79 O ATOM 1084 CB PRO A 70 6.589 10.788 -12.993 1.00 0.75 C ATOM 1085 CG PRO A 70 7.111 10.402 -11.609 1.00 0.74 C ATOM 1086 CD PRO A 70 5.900 9.723 -10.967 1.00 0.73 C ATOM 0 HA PRO A 70 4.852 9.955 -14.010 1.00 0.73 H new ATOM 0 HB2 PRO A 70 7.398 10.881 -13.718 1.00 0.75 H new ATOM 0 HB3 PRO A 70 6.065 11.744 -12.975 1.00 0.75 H new ATOM 0 HG2 PRO A 70 7.966 9.729 -11.672 1.00 0.74 H new ATOM 0 HG3 PRO A 70 7.434 11.274 -11.041 1.00 0.74 H new ATOM 0 HD2 PRO A 70 6.212 8.939 -10.278 1.00 0.73 H new ATOM 0 HD3 PRO A 70 5.311 10.437 -10.392 1.00 0.73 H new ATOM 1094 N PRO A 71 6.627 8.686 -15.399 1.00 0.81 N ATOM 1095 CA PRO A 71 7.443 7.781 -16.195 1.00 0.85 C ATOM 1096 C PRO A 71 8.869 7.670 -15.652 1.00 0.82 C ATOM 1097 O PRO A 71 9.450 8.656 -15.205 1.00 0.80 O ATOM 1098 CB PRO A 71 7.360 8.292 -17.630 1.00 0.94 C ATOM 1099 CG PRO A 71 6.809 9.712 -17.547 1.00 0.96 C ATOM 1100 CD PRO A 71 6.105 9.777 -16.201 1.00 0.86 C ATOM 0 HA PRO A 71 7.075 6.756 -16.150 1.00 0.85 H new ATOM 0 HB2 PRO A 71 8.342 8.283 -18.103 1.00 0.94 H new ATOM 0 HB3 PRO A 71 6.710 7.657 -18.232 1.00 0.94 H new ATOM 0 HG2 PRO A 71 7.608 10.451 -17.612 1.00 0.96 H new ATOM 0 HG3 PRO A 71 6.118 9.917 -18.365 1.00 0.96 H new ATOM 0 HD2 PRO A 71 6.288 10.735 -15.715 1.00 0.86 H new ATOM 0 HD3 PRO A 71 5.026 9.684 -16.325 1.00 0.86 H new ATOM 1108 N LYS A 72 9.394 6.436 -15.643 1.00 0.86 N ATOM 1109 CA LYS A 72 10.716 6.034 -15.109 1.00 0.88 C ATOM 1110 C LYS A 72 10.816 6.140 -13.572 1.00 0.90 C ATOM 1111 O LYS A 72 11.881 5.976 -12.979 1.00 0.96 O ATOM 1112 CB LYS A 72 11.844 6.794 -15.830 1.00 0.87 C ATOM 1113 CG LYS A 72 11.755 6.701 -17.361 1.00 1.11 C ATOM 1114 CD LYS A 72 12.196 5.338 -17.918 1.00 0.91 C ATOM 1115 CE LYS A 72 12.019 5.278 -19.442 1.00 1.18 C ATOM 1116 NZ LYS A 72 10.628 4.954 -19.823 1.00 1.62 N ATOM 0 H LYS A 72 8.883 5.642 -16.029 1.00 0.86 H new ATOM 0 HA LYS A 72 10.837 4.972 -15.321 1.00 0.88 H new ATOM 0 HB2 LYS A 72 11.814 7.843 -15.534 1.00 0.87 H new ATOM 0 HB3 LYS A 72 12.806 6.398 -15.504 1.00 0.87 H new ATOM 0 HG2 LYS A 72 10.728 6.896 -17.670 1.00 1.11 H new ATOM 0 HG3 LYS A 72 12.374 7.482 -17.801 1.00 1.11 H new ATOM 0 HD2 LYS A 72 13.240 5.159 -17.663 1.00 0.91 H new ATOM 0 HD3 LYS A 72 11.613 4.545 -17.450 1.00 0.91 H new ATOM 0 HE2 LYS A 72 12.301 6.236 -19.878 1.00 1.18 H new ATOM 0 HE3 LYS A 72 12.693 4.528 -19.857 1.00 1.18 H new ATOM 0 HZ1 LYS A 72 10.578 4.789 -20.849 1.00 1.62 H new ATOM 0 HZ2 LYS A 72 10.321 4.097 -19.320 1.00 1.62 H new ATOM 0 HZ3 LYS A 72 10.005 5.747 -19.569 1.00 1.62 H new ATOM 1130 N GLY A 73 9.692 6.425 -12.915 1.00 0.91 N ATOM 1131 CA GLY A 73 9.571 6.615 -11.473 1.00 0.97 C ATOM 1132 C GLY A 73 9.449 5.300 -10.729 1.00 0.91 C ATOM 1133 O GLY A 73 8.429 4.618 -10.792 1.00 0.93 O ATOM 0 H GLY A 73 8.800 6.534 -13.398 1.00 0.91 H new ATOM 0 HA2 GLY A 73 10.442 7.158 -11.106 1.00 0.97 H new ATOM 0 HA3 GLY A 73 8.698 7.232 -11.262 1.00 0.97 H new ATOM 1137 N ARG A 74 10.483 5.011 -9.948 1.00 1.30 N ATOM 1138 CA ARG A 74 10.456 3.961 -8.919 1.00 1.49 C ATOM 1139 C ARG A 74 9.723 4.456 -7.668 1.00 1.59 C ATOM 1140 O ARG A 74 9.938 5.579 -7.224 1.00 1.57 O ATOM 1141 CB ARG A 74 11.861 3.350 -8.658 1.00 1.64 C ATOM 1142 CG ARG A 74 12.560 3.675 -7.318 1.00 1.61 C ATOM 1143 CD ARG A 74 12.165 2.747 -6.149 1.00 1.38 C ATOM 1144 NE ARG A 74 12.612 3.300 -4.854 1.00 2.78 N ATOM 1145 CZ ARG A 74 12.589 2.696 -3.667 1.00 3.85 C ATOM 1146 NH1 ARG A 74 12.239 1.438 -3.504 1.00 3.89 N ATOM 1147 NH2 ARG A 74 12.911 3.356 -2.576 1.00 5.51 N ATOM 0 H ARG A 74 11.376 5.500 -10.006 1.00 1.30 H new ATOM 0 HA ARG A 74 9.875 3.118 -9.292 1.00 1.49 H new ATOM 0 HB2 ARG A 74 11.772 2.266 -8.733 1.00 1.64 H new ATOM 0 HB3 ARG A 74 12.520 3.673 -9.464 1.00 1.64 H new ATOM 0 HG2 ARG A 74 13.639 3.618 -7.462 1.00 1.61 H new ATOM 0 HG3 ARG A 74 12.329 4.704 -7.042 1.00 1.61 H new ATOM 0 HD2 ARG A 74 11.083 2.614 -6.137 1.00 1.38 H new ATOM 0 HD3 ARG A 74 12.606 1.761 -6.298 1.00 1.38 H new ATOM 0 HE ARG A 74 12.980 4.251 -4.871 1.00 2.78 H new ATOM 0 HH11 ARG A 74 11.968 0.876 -4.310 1.00 3.89 H new ATOM 0 HH12 ARG A 74 12.239 1.025 -2.571 1.00 3.89 H new ATOM 0 HH21 ARG A 74 13.181 4.338 -2.635 1.00 5.51 H new ATOM 0 HH22 ARG A 74 12.891 2.886 -1.671 1.00 5.51 H new ATOM 1161 N VAL A 75 8.874 3.607 -7.096 1.00 1.82 N ATOM 1162 CA VAL A 75 7.995 3.920 -5.959 1.00 2.02 C ATOM 1163 C VAL A 75 8.088 2.863 -4.863 1.00 1.92 C ATOM 1164 O VAL A 75 8.539 1.742 -5.097 1.00 2.16 O ATOM 1165 CB VAL A 75 6.526 4.107 -6.400 1.00 2.65 C ATOM 1166 CG1 VAL A 75 6.389 5.439 -7.142 1.00 2.73 C ATOM 1167 CG2 VAL A 75 5.978 2.946 -7.250 1.00 3.01 C ATOM 0 H VAL A 75 8.771 2.645 -7.419 1.00 1.82 H new ATOM 0 HA VAL A 75 8.347 4.866 -5.549 1.00 2.02 H new ATOM 0 HB VAL A 75 5.918 4.113 -5.496 1.00 2.65 H new ATOM 0 HG11 VAL A 75 5.354 5.576 -7.456 1.00 2.73 H new ATOM 0 HG12 VAL A 75 6.679 6.255 -6.481 1.00 2.73 H new ATOM 0 HG13 VAL A 75 7.036 5.435 -8.019 1.00 2.73 H new ATOM 0 HG21 VAL A 75 4.942 3.150 -7.521 1.00 3.01 H new ATOM 0 HG22 VAL A 75 6.576 2.844 -8.155 1.00 3.01 H new ATOM 0 HG23 VAL A 75 6.027 2.020 -6.677 1.00 3.01 H new ATOM 1177 N GLU A 76 7.677 3.251 -3.652 1.00 1.84 N ATOM 1178 CA GLU A 76 7.838 2.499 -2.421 1.00 1.62 C ATOM 1179 C GLU A 76 6.741 2.943 -1.445 1.00 1.51 C ATOM 1180 O GLU A 76 6.886 3.931 -0.724 1.00 1.63 O ATOM 1181 CB GLU A 76 9.251 2.779 -1.895 1.00 1.78 C ATOM 1182 CG GLU A 76 9.638 1.912 -0.705 1.00 2.00 C ATOM 1183 CD GLU A 76 11.051 2.283 -0.263 1.00 2.59 C ATOM 1184 OE1 GLU A 76 11.220 3.358 0.353 1.00 2.74 O ATOM 1185 OE2 GLU A 76 12.009 1.594 -0.670 1.00 3.67 O ATOM 0 H GLU A 76 7.201 4.141 -3.505 1.00 1.84 H new ATOM 0 HA GLU A 76 7.734 1.423 -2.563 1.00 1.62 H new ATOM 0 HB2 GLU A 76 9.968 2.619 -2.700 1.00 1.78 H new ATOM 0 HB3 GLU A 76 9.322 3.828 -1.609 1.00 1.78 H new ATOM 0 HG2 GLU A 76 8.935 2.061 0.115 1.00 2.00 H new ATOM 0 HG3 GLU A 76 9.592 0.857 -0.976 1.00 2.00 H new ATOM 1192 N LEU A 77 5.621 2.226 -1.463 1.00 1.38 N ATOM 1193 CA LEU A 77 4.566 2.323 -0.464 1.00 1.31 C ATOM 1194 C LEU A 77 5.109 1.808 0.874 1.00 1.55 C ATOM 1195 O LEU A 77 5.832 0.814 0.941 1.00 2.06 O ATOM 1196 CB LEU A 77 3.300 1.569 -0.929 1.00 1.20 C ATOM 1197 CG LEU A 77 2.377 2.396 -1.852 1.00 0.90 C ATOM 1198 CD1 LEU A 77 2.960 2.602 -3.258 1.00 0.89 C ATOM 1199 CD2 LEU A 77 1.004 1.721 -1.964 1.00 0.98 C ATOM 0 H LEU A 77 5.419 1.544 -2.194 1.00 1.38 H new ATOM 0 HA LEU A 77 4.263 3.362 -0.331 1.00 1.31 H new ATOM 0 HB2 LEU A 77 3.602 0.662 -1.453 1.00 1.20 H new ATOM 0 HB3 LEU A 77 2.733 1.257 -0.052 1.00 1.20 H new ATOM 0 HG LEU A 77 2.281 3.381 -1.394 1.00 0.90 H new ATOM 0 HD11 LEU A 77 2.265 3.190 -3.858 1.00 0.89 H new ATOM 0 HD12 LEU A 77 3.911 3.129 -3.184 1.00 0.89 H new ATOM 0 HD13 LEU A 77 3.118 1.633 -3.732 1.00 0.89 H new ATOM 0 HD21 LEU A 77 0.361 2.311 -2.616 1.00 0.98 H new ATOM 0 HD22 LEU A 77 1.123 0.721 -2.380 1.00 0.98 H new ATOM 0 HD23 LEU A 77 0.551 1.651 -0.975 1.00 0.98 H new ATOM 1211 N LYS A 78 4.746 2.513 1.943 1.00 1.70 N ATOM 1212 CA LYS A 78 5.357 2.488 3.272 1.00 1.76 C ATOM 1213 C LYS A 78 4.373 3.014 4.354 1.00 1.53 C ATOM 1214 O LYS A 78 3.462 3.773 4.006 1.00 1.58 O ATOM 1215 CB LYS A 78 6.664 3.304 3.191 1.00 1.95 C ATOM 1216 CG LYS A 78 6.466 4.784 2.796 1.00 1.80 C ATOM 1217 CD LYS A 78 7.804 5.527 2.676 1.00 2.00 C ATOM 1218 CE LYS A 78 8.567 5.038 1.439 1.00 2.88 C ATOM 1219 NZ LYS A 78 9.988 5.437 1.452 1.00 3.38 N ATOM 0 H LYS A 78 3.961 3.163 1.901 1.00 1.70 H new ATOM 0 HA LYS A 78 5.592 1.468 3.577 1.00 1.76 H new ATOM 0 HB2 LYS A 78 7.165 3.262 4.158 1.00 1.95 H new ATOM 0 HB3 LYS A 78 7.329 2.833 2.467 1.00 1.95 H new ATOM 0 HG2 LYS A 78 5.934 4.838 1.846 1.00 1.80 H new ATOM 0 HG3 LYS A 78 5.841 5.278 3.540 1.00 1.80 H new ATOM 0 HD2 LYS A 78 7.628 6.600 2.604 1.00 2.00 H new ATOM 0 HD3 LYS A 78 8.403 5.361 3.572 1.00 2.00 H new ATOM 0 HE2 LYS A 78 8.499 3.952 1.381 1.00 2.88 H new ATOM 0 HE3 LYS A 78 8.090 5.435 0.543 1.00 2.88 H new ATOM 0 HZ1 LYS A 78 10.168 6.106 0.676 1.00 3.38 H new ATOM 0 HZ2 LYS A 78 10.213 5.891 2.360 1.00 3.38 H new ATOM 0 HZ3 LYS A 78 10.586 4.595 1.329 1.00 3.38 H new ATOM 1233 N PRO A 79 4.536 2.644 5.648 1.00 1.36 N ATOM 1234 CA PRO A 79 3.611 3.011 6.728 1.00 1.17 C ATOM 1235 C PRO A 79 3.499 4.532 6.900 1.00 1.14 C ATOM 1236 O PRO A 79 2.447 5.088 6.608 1.00 1.23 O ATOM 1237 CB PRO A 79 4.107 2.296 7.993 1.00 1.13 C ATOM 1238 CG PRO A 79 5.561 1.944 7.687 1.00 1.28 C ATOM 1239 CD PRO A 79 5.575 1.763 6.170 1.00 1.39 C ATOM 0 HA PRO A 79 2.595 2.693 6.496 1.00 1.17 H new ATOM 0 HB2 PRO A 79 4.030 2.940 8.869 1.00 1.13 H new ATOM 0 HB3 PRO A 79 3.518 1.403 8.201 1.00 1.13 H new ATOM 0 HG2 PRO A 79 6.240 2.736 8.003 1.00 1.28 H new ATOM 0 HG3 PRO A 79 5.870 1.035 8.202 1.00 1.28 H new ATOM 0 HD2 PRO A 79 6.549 2.021 5.756 1.00 1.39 H new ATOM 0 HD3 PRO A 79 5.379 0.726 5.899 1.00 1.39 H new ATOM 1247 N GLY A 80 4.583 5.217 7.280 1.00 1.24 N ATOM 1248 CA GLY A 80 4.661 6.677 7.189 1.00 1.30 C ATOM 1249 C GLY A 80 4.916 7.072 5.737 1.00 1.44 C ATOM 1250 O GLY A 80 6.066 7.099 5.299 1.00 1.97 O ATOM 0 H GLY A 80 5.424 4.779 7.656 1.00 1.24 H new ATOM 0 HA2 GLY A 80 3.734 7.126 7.544 1.00 1.30 H new ATOM 0 HA3 GLY A 80 5.461 7.052 7.827 1.00 1.30 H new ATOM 1254 N GLY A 81 3.838 7.308 4.984 1.00 1.11 N ATOM 1255 CA GLY A 81 3.862 7.511 3.533 1.00 1.24 C ATOM 1256 C GLY A 81 2.536 7.167 2.878 1.00 1.06 C ATOM 1257 O GLY A 81 1.629 7.985 2.877 1.00 1.05 O ATOM 0 H GLY A 81 2.899 7.365 5.378 1.00 1.11 H new ATOM 0 HA2 GLY A 81 4.111 8.550 3.318 1.00 1.24 H new ATOM 0 HA3 GLY A 81 4.650 6.897 3.096 1.00 1.24 H new ATOM 1261 N TYR A 82 2.424 5.971 2.300 1.00 0.99 N ATOM 1262 CA TYR A 82 1.279 5.525 1.486 1.00 0.84 C ATOM 1263 C TYR A 82 1.154 4.004 1.536 1.00 1.00 C ATOM 1264 O TYR A 82 2.166 3.325 1.413 1.00 1.30 O ATOM 1265 CB TYR A 82 1.467 5.958 0.025 1.00 0.76 C ATOM 1266 CG TYR A 82 1.700 7.440 -0.151 1.00 0.72 C ATOM 1267 CD1 TYR A 82 0.606 8.317 -0.229 1.00 1.44 C ATOM 1268 CD2 TYR A 82 3.017 7.944 -0.143 1.00 2.05 C ATOM 1269 CE1 TYR A 82 0.816 9.706 -0.235 1.00 1.43 C ATOM 1270 CE2 TYR A 82 3.234 9.331 -0.118 1.00 2.16 C ATOM 1271 CZ TYR A 82 2.131 10.217 -0.145 1.00 0.98 C ATOM 1272 OH TYR A 82 2.326 11.559 -0.068 1.00 1.25 O ATOM 0 H TYR A 82 3.148 5.258 2.385 1.00 0.99 H new ATOM 0 HA TYR A 82 0.375 5.980 1.891 1.00 0.84 H new ATOM 0 HB2 TYR A 82 2.312 5.415 -0.398 1.00 0.76 H new ATOM 0 HB3 TYR A 82 0.584 5.669 -0.545 1.00 0.76 H new ATOM 0 HD1 TYR A 82 -0.398 7.923 -0.284 1.00 1.44 H new ATOM 0 HD2 TYR A 82 3.857 7.265 -0.156 1.00 2.05 H new ATOM 0 HE1 TYR A 82 -0.024 10.381 -0.308 1.00 1.43 H new ATOM 0 HE2 TYR A 82 4.240 9.721 -0.078 1.00 2.16 H new ATOM 0 HH TYR A 82 3.286 11.747 -0.010 1.00 1.25 H new ATOM 1282 N HIS A 83 -0.038 3.434 1.687 1.00 0.87 N ATOM 1283 CA HIS A 83 -0.201 1.998 1.952 1.00 0.96 C ATOM 1284 C HIS A 83 -1.655 1.564 1.727 1.00 0.78 C ATOM 1285 O HIS A 83 -2.541 2.410 1.616 1.00 0.68 O ATOM 1286 CB HIS A 83 0.314 1.661 3.365 1.00 1.12 C ATOM 1287 CG HIS A 83 -0.200 2.570 4.452 1.00 1.09 C ATOM 1288 ND1 HIS A 83 0.376 3.752 4.861 1.00 1.45 N ATOM 1289 CD2 HIS A 83 -1.324 2.386 5.210 1.00 0.94 C ATOM 1290 CE1 HIS A 83 -0.396 4.275 5.827 1.00 1.55 C ATOM 1291 NE2 HIS A 83 -1.435 3.468 6.088 1.00 1.27 N ATOM 0 H HIS A 83 -0.918 3.947 1.630 1.00 0.87 H new ATOM 0 HA HIS A 83 0.402 1.428 1.245 1.00 0.96 H new ATOM 0 HB2 HIS A 83 0.034 0.635 3.605 1.00 1.12 H new ATOM 0 HB3 HIS A 83 1.403 1.702 3.360 1.00 1.12 H new ATOM 0 HD1 HIS A 83 1.237 4.158 4.495 1.00 1.45 H new ATOM 0 HD2 HIS A 83 -2.006 1.551 5.142 1.00 0.94 H new ATOM 0 HE1 HIS A 83 -0.207 5.215 6.325 1.00 1.55 H new ATOM 1299 N PHE A 84 -1.909 0.256 1.662 1.00 0.84 N ATOM 1300 CA PHE A 84 -3.267 -0.267 1.542 1.00 0.80 C ATOM 1301 C PHE A 84 -3.745 -0.798 2.884 1.00 0.81 C ATOM 1302 O PHE A 84 -3.187 -1.779 3.377 1.00 1.13 O ATOM 1303 CB PHE A 84 -3.316 -1.373 0.492 1.00 1.00 C ATOM 1304 CG PHE A 84 -2.991 -0.887 -0.898 1.00 0.91 C ATOM 1305 CD1 PHE A 84 -3.966 -0.182 -1.619 1.00 2.30 C ATOM 1306 CD2 PHE A 84 -1.726 -1.130 -1.467 1.00 1.73 C ATOM 1307 CE1 PHE A 84 -3.696 0.230 -2.930 1.00 2.30 C ATOM 1308 CE2 PHE A 84 -1.452 -0.694 -2.777 1.00 1.73 C ATOM 1309 CZ PHE A 84 -2.443 -0.027 -3.511 1.00 0.92 C ATOM 0 H PHE A 84 -1.186 -0.463 1.691 1.00 0.84 H new ATOM 0 HA PHE A 84 -3.927 0.542 1.229 1.00 0.80 H new ATOM 0 HB2 PHE A 84 -2.613 -2.159 0.769 1.00 1.00 H new ATOM 0 HB3 PHE A 84 -4.310 -1.820 0.491 1.00 1.00 H new ATOM 0 HD1 PHE A 84 -4.920 0.042 -1.165 1.00 2.30 H new ATOM 0 HD2 PHE A 84 -0.968 -1.650 -0.900 1.00 1.73 H new ATOM 0 HE1 PHE A 84 -4.455 0.748 -3.497 1.00 2.30 H new ATOM 0 HE2 PHE A 84 -0.481 -0.873 -3.215 1.00 1.73 H new ATOM 0 HZ PHE A 84 -2.243 0.290 -4.524 1.00 0.92 H new ATOM 1319 N MET A 85 -4.786 -0.189 3.455 1.00 0.54 N ATOM 1320 CA MET A 85 -5.454 -0.723 4.645 1.00 0.50 C ATOM 1321 C MET A 85 -6.184 -2.014 4.288 1.00 0.44 C ATOM 1322 O MET A 85 -6.960 -2.034 3.334 1.00 0.52 O ATOM 1323 CB MET A 85 -6.423 0.311 5.247 1.00 0.53 C ATOM 1324 CG MET A 85 -5.765 1.142 6.354 1.00 0.74 C ATOM 1325 SD MET A 85 -5.304 0.203 7.837 1.00 0.93 S ATOM 1326 CE MET A 85 -3.505 0.174 7.640 1.00 0.83 C ATOM 0 H MET A 85 -5.188 0.682 3.109 1.00 0.54 H new ATOM 0 HA MET A 85 -4.701 -0.942 5.402 1.00 0.50 H new ATOM 0 HB2 MET A 85 -6.779 0.975 4.459 1.00 0.53 H new ATOM 0 HB3 MET A 85 -7.296 -0.203 5.650 1.00 0.53 H new ATOM 0 HG2 MET A 85 -4.871 1.618 5.950 1.00 0.74 H new ATOM 0 HG3 MET A 85 -6.448 1.941 6.644 1.00 0.74 H new ATOM 0 HE1 MET A 85 -3.104 -0.735 8.089 1.00 0.83 H new ATOM 0 HE2 MET A 85 -3.255 0.195 6.579 1.00 0.83 H new ATOM 0 HE3 MET A 85 -3.071 1.044 8.133 1.00 0.83 H new ATOM 1336 N LEU A 86 -5.919 -3.073 5.054 1.00 0.42 N ATOM 1337 CA LEU A 86 -6.559 -4.378 4.932 1.00 0.43 C ATOM 1338 C LEU A 86 -7.400 -4.582 6.197 1.00 0.62 C ATOM 1339 O LEU A 86 -6.830 -4.698 7.282 1.00 0.84 O ATOM 1340 CB LEU A 86 -5.479 -5.474 4.768 1.00 0.49 C ATOM 1341 CG LEU A 86 -4.411 -5.223 3.675 1.00 0.68 C ATOM 1342 CD1 LEU A 86 -3.422 -6.397 3.651 1.00 1.53 C ATOM 1343 CD2 LEU A 86 -5.001 -5.016 2.271 1.00 1.23 C ATOM 0 H LEU A 86 -5.227 -3.042 5.803 1.00 0.42 H new ATOM 0 HA LEU A 86 -7.202 -4.436 4.054 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -4.969 -5.598 5.723 1.00 0.49 H new ATOM 0 HB3 LEU A 86 -5.979 -6.417 4.548 1.00 0.49 H new ATOM 0 HG LEU A 86 -3.907 -4.293 3.937 1.00 0.68 H new ATOM 0 HD11 LEU A 86 -2.669 -6.223 2.882 1.00 1.53 H new ATOM 0 HD12 LEU A 86 -2.936 -6.483 4.623 1.00 1.53 H new ATOM 0 HD13 LEU A 86 -3.958 -7.320 3.431 1.00 1.53 H new ATOM 0 HD21 LEU A 86 -4.194 -4.846 1.559 1.00 1.23 H new ATOM 0 HD22 LEU A 86 -5.563 -5.903 1.978 1.00 1.23 H new ATOM 0 HD23 LEU A 86 -5.666 -4.152 2.279 1.00 1.23 H new ATOM 1355 N LEU A 87 -8.733 -4.577 6.091 1.00 0.87 N ATOM 1356 CA LEU A 87 -9.638 -4.667 7.248 1.00 1.22 C ATOM 1357 C LEU A 87 -10.518 -5.913 7.087 1.00 1.35 C ATOM 1358 O LEU A 87 -11.272 -6.012 6.119 1.00 1.67 O ATOM 1359 CB LEU A 87 -10.453 -3.356 7.360 1.00 1.59 C ATOM 1360 CG LEU A 87 -10.623 -2.784 8.780 1.00 1.99 C ATOM 1361 CD1 LEU A 87 -11.384 -1.455 8.708 1.00 1.76 C ATOM 1362 CD2 LEU A 87 -11.365 -3.750 9.714 1.00 3.47 C ATOM 0 H LEU A 87 -9.219 -4.510 5.197 1.00 0.87 H new ATOM 0 HA LEU A 87 -9.085 -4.776 8.181 1.00 1.22 H new ATOM 0 HB2 LEU A 87 -9.972 -2.599 6.740 1.00 1.59 H new ATOM 0 HB3 LEU A 87 -11.443 -3.530 6.939 1.00 1.59 H new ATOM 0 HG LEU A 87 -9.626 -2.631 9.193 1.00 1.99 H new ATOM 0 HD11 LEU A 87 -11.505 -1.050 9.713 1.00 1.76 H new ATOM 0 HD12 LEU A 87 -10.824 -0.748 8.096 1.00 1.76 H new ATOM 0 HD13 LEU A 87 -12.365 -1.621 8.264 1.00 1.76 H new ATOM 0 HD21 LEU A 87 -11.459 -3.300 10.702 1.00 3.47 H new ATOM 0 HD22 LEU A 87 -12.357 -3.954 9.312 1.00 3.47 H new ATOM 0 HD23 LEU A 87 -10.806 -4.683 9.791 1.00 3.47 H new ATOM 1374 N GLY A 88 -10.377 -6.870 8.011 1.00 1.34 N ATOM 1375 CA GLY A 88 -10.863 -8.249 7.868 1.00 1.42 C ATOM 1376 C GLY A 88 -9.855 -9.082 7.071 1.00 1.27 C ATOM 1377 O GLY A 88 -9.656 -8.823 5.881 1.00 1.88 O ATOM 0 H GLY A 88 -9.910 -6.704 8.902 1.00 1.34 H new ATOM 0 HA2 GLY A 88 -11.016 -8.693 8.852 1.00 1.42 H new ATOM 0 HA3 GLY A 88 -11.829 -8.252 7.363 1.00 1.42 H new ATOM 1381 N LEU A 89 -9.214 -10.062 7.724 1.00 0.93 N ATOM 1382 CA LEU A 89 -8.120 -10.858 7.150 1.00 0.79 C ATOM 1383 C LEU A 89 -8.548 -12.307 6.886 1.00 0.77 C ATOM 1384 O LEU A 89 -8.807 -13.080 7.805 1.00 1.01 O ATOM 1385 CB LEU A 89 -6.888 -10.805 8.075 1.00 0.87 C ATOM 1386 CG LEU A 89 -6.347 -9.391 8.378 1.00 0.80 C ATOM 1387 CD1 LEU A 89 -5.076 -9.531 9.226 1.00 0.99 C ATOM 1388 CD2 LEU A 89 -6.031 -8.575 7.114 1.00 0.82 C ATOM 0 H LEU A 89 -9.445 -10.328 8.681 1.00 0.93 H new ATOM 0 HA LEU A 89 -7.856 -10.424 6.186 1.00 0.79 H new ATOM 0 HB2 LEU A 89 -7.142 -11.288 9.018 1.00 0.87 H new ATOM 0 HB3 LEU A 89 -6.089 -11.392 7.622 1.00 0.87 H new ATOM 0 HG LEU A 89 -7.128 -8.847 8.910 1.00 0.80 H new ATOM 0 HD11 LEU A 89 -4.678 -8.542 9.451 1.00 0.99 H new ATOM 0 HD12 LEU A 89 -5.314 -10.046 10.156 1.00 0.99 H new ATOM 0 HD13 LEU A 89 -4.332 -10.105 8.674 1.00 0.99 H new ATOM 0 HD21 LEU A 89 -5.655 -7.592 7.400 1.00 0.82 H new ATOM 0 HD22 LEU A 89 -5.276 -9.095 6.525 1.00 0.82 H new ATOM 0 HD23 LEU A 89 -6.938 -8.458 6.520 1.00 0.82 H new ATOM 1400 N LYS A 90 -8.595 -12.688 5.609 1.00 0.76 N ATOM 1401 CA LYS A 90 -9.157 -13.962 5.132 1.00 0.83 C ATOM 1402 C LYS A 90 -8.294 -15.200 5.466 1.00 0.86 C ATOM 1403 O LYS A 90 -8.759 -16.330 5.323 1.00 1.02 O ATOM 1404 CB LYS A 90 -9.402 -13.855 3.616 1.00 1.07 C ATOM 1405 CG LYS A 90 -10.441 -12.794 3.212 1.00 1.15 C ATOM 1406 CD LYS A 90 -10.574 -12.734 1.680 1.00 1.45 C ATOM 1407 CE LYS A 90 -11.721 -11.842 1.192 1.00 1.55 C ATOM 1408 NZ LYS A 90 -13.050 -12.382 1.546 1.00 1.87 N ATOM 0 H LYS A 90 -8.234 -12.106 4.853 1.00 0.76 H new ATOM 0 HA LYS A 90 -10.094 -14.123 5.665 1.00 0.83 H new ATOM 0 HB2 LYS A 90 -8.457 -13.626 3.123 1.00 1.07 H new ATOM 0 HB3 LYS A 90 -9.729 -14.826 3.244 1.00 1.07 H new ATOM 0 HG2 LYS A 90 -11.406 -13.032 3.659 1.00 1.15 H new ATOM 0 HG3 LYS A 90 -10.143 -11.819 3.597 1.00 1.15 H new ATOM 0 HD2 LYS A 90 -9.638 -12.369 1.258 1.00 1.45 H new ATOM 0 HD3 LYS A 90 -10.724 -13.744 1.298 1.00 1.45 H new ATOM 0 HE2 LYS A 90 -11.611 -10.847 1.622 1.00 1.55 H new ATOM 0 HE3 LYS A 90 -11.655 -11.730 0.110 1.00 1.55 H new ATOM 0 HZ1 LYS A 90 -13.791 -11.760 1.164 1.00 1.87 H new ATOM 0 HZ2 LYS A 90 -13.156 -13.335 1.143 1.00 1.87 H new ATOM 0 HZ3 LYS A 90 -13.140 -12.432 2.581 1.00 1.87 H new ATOM 1422 N ARG A 91 -7.046 -15.009 5.917 1.00 0.96 N ATOM 1423 CA ARG A 91 -6.180 -16.057 6.479 1.00 1.21 C ATOM 1424 C ARG A 91 -5.157 -15.432 7.448 1.00 1.28 C ATOM 1425 O ARG A 91 -4.710 -14.316 7.185 1.00 1.28 O ATOM 1426 CB ARG A 91 -5.505 -16.879 5.356 1.00 1.66 C ATOM 1427 CG ARG A 91 -4.326 -16.167 4.671 1.00 1.74 C ATOM 1428 CD ARG A 91 -3.729 -16.972 3.506 1.00 2.10 C ATOM 1429 NE ARG A 91 -2.413 -16.431 3.112 1.00 3.26 N ATOM 1430 CZ ARG A 91 -1.261 -16.620 3.749 1.00 4.17 C ATOM 1431 NH1 ARG A 91 -1.145 -17.440 4.772 1.00 4.30 N ATOM 1432 NH2 ARG A 91 -0.181 -15.965 3.391 1.00 5.77 N ATOM 0 H ARG A 91 -6.597 -14.093 5.901 1.00 0.96 H new ATOM 0 HA ARG A 91 -6.790 -16.756 7.051 1.00 1.21 H new ATOM 0 HB2 ARG A 91 -5.152 -17.822 5.774 1.00 1.66 H new ATOM 0 HB3 ARG A 91 -6.253 -17.125 4.602 1.00 1.66 H new ATOM 0 HG2 ARG A 91 -4.660 -15.198 4.301 1.00 1.74 H new ATOM 0 HG3 ARG A 91 -3.547 -15.975 5.409 1.00 1.74 H new ATOM 0 HD2 ARG A 91 -3.625 -18.017 3.797 1.00 2.10 H new ATOM 0 HD3 ARG A 91 -4.408 -16.944 2.654 1.00 2.10 H new ATOM 0 HE ARG A 91 -2.385 -15.857 2.270 1.00 3.26 H new ATOM 0 HH11 ARG A 91 -1.958 -17.959 5.104 1.00 4.30 H new ATOM 0 HH12 ARG A 91 -0.242 -17.556 5.233 1.00 4.30 H new ATOM 0 HH21 ARG A 91 -0.220 -15.302 2.616 1.00 5.77 H new ATOM 0 HH22 ARG A 91 0.697 -16.119 3.887 1.00 5.77 H new ATOM 1446 N PRO A 92 -4.763 -16.116 8.538 1.00 1.49 N ATOM 1447 CA PRO A 92 -3.656 -15.673 9.374 1.00 1.65 C ATOM 1448 C PRO A 92 -2.331 -16.000 8.675 1.00 1.85 C ATOM 1449 O PRO A 92 -2.126 -17.123 8.213 1.00 2.05 O ATOM 1450 CB PRO A 92 -3.824 -16.427 10.695 1.00 1.77 C ATOM 1451 CG PRO A 92 -4.500 -17.736 10.275 1.00 1.79 C ATOM 1452 CD PRO A 92 -5.357 -17.333 9.073 1.00 1.61 C ATOM 0 HA PRO A 92 -3.650 -14.598 9.551 1.00 1.65 H new ATOM 0 HB2 PRO A 92 -2.864 -16.608 11.179 1.00 1.77 H new ATOM 0 HB3 PRO A 92 -4.437 -15.867 11.402 1.00 1.77 H new ATOM 0 HG2 PRO A 92 -3.767 -18.497 10.007 1.00 1.79 H new ATOM 0 HG3 PRO A 92 -5.108 -18.149 11.080 1.00 1.79 H new ATOM 0 HD2 PRO A 92 -5.369 -18.123 8.322 1.00 1.61 H new ATOM 0 HD3 PRO A 92 -6.391 -17.162 9.372 1.00 1.61 H new ATOM 1460 N LEU A 93 -1.426 -15.023 8.624 1.00 1.95 N ATOM 1461 CA LEU A 93 -0.130 -15.086 7.933 1.00 2.15 C ATOM 1462 C LEU A 93 0.983 -15.679 8.826 1.00 2.17 C ATOM 1463 O LEU A 93 0.793 -15.834 10.036 1.00 2.59 O ATOM 1464 CB LEU A 93 0.241 -13.658 7.484 1.00 2.24 C ATOM 1465 CG LEU A 93 -0.374 -13.117 6.174 1.00 2.46 C ATOM 1466 CD1 LEU A 93 -1.892 -13.301 6.063 1.00 2.28 C ATOM 1467 CD2 LEU A 93 -0.057 -11.613 6.084 1.00 2.66 C ATOM 0 H LEU A 93 -1.579 -14.125 9.082 1.00 1.95 H new ATOM 0 HA LEU A 93 -0.220 -15.750 7.074 1.00 2.15 H new ATOM 0 HB2 LEU A 93 -0.035 -12.975 8.287 1.00 2.24 H new ATOM 0 HB3 LEU A 93 1.326 -13.612 7.385 1.00 2.24 H new ATOM 0 HG LEU A 93 0.065 -13.693 5.359 1.00 2.46 H new ATOM 0 HD11 LEU A 93 -2.239 -12.893 5.114 1.00 2.28 H new ATOM 0 HD12 LEU A 93 -2.134 -14.363 6.113 1.00 2.28 H new ATOM 0 HD13 LEU A 93 -2.383 -12.778 6.884 1.00 2.28 H new ATOM 0 HD21 LEU A 93 -0.481 -11.206 5.166 1.00 2.66 H new ATOM 0 HD22 LEU A 93 -0.488 -11.098 6.942 1.00 2.66 H new ATOM 0 HD23 LEU A 93 1.023 -11.468 6.080 1.00 2.66 H new ATOM 1479 N LYS A 94 2.151 -15.996 8.255 1.00 2.07 N ATOM 1480 CA LYS A 94 3.437 -16.059 8.976 1.00 2.06 C ATOM 1481 C LYS A 94 4.399 -14.997 8.435 1.00 1.84 C ATOM 1482 O LYS A 94 4.474 -14.782 7.225 1.00 2.19 O ATOM 1483 CB LYS A 94 4.187 -17.417 8.888 1.00 2.74 C ATOM 1484 CG LYS A 94 3.425 -18.748 8.826 1.00 2.57 C ATOM 1485 CD LYS A 94 2.251 -18.842 9.804 1.00 2.24 C ATOM 1486 CE LYS A 94 0.949 -18.927 8.995 1.00 3.17 C ATOM 1487 NZ LYS A 94 -0.207 -18.460 9.786 1.00 4.50 N ATOM 0 H LYS A 94 2.235 -16.220 7.264 1.00 2.07 H new ATOM 0 HA LYS A 94 3.160 -15.899 10.018 1.00 2.06 H new ATOM 0 HB2 LYS A 94 4.821 -17.373 8.002 1.00 2.74 H new ATOM 0 HB3 LYS A 94 4.849 -17.470 9.752 1.00 2.74 H new ATOM 0 HG2 LYS A 94 3.052 -18.894 7.812 1.00 2.57 H new ATOM 0 HG3 LYS A 94 4.120 -19.562 9.030 1.00 2.57 H new ATOM 0 HD2 LYS A 94 2.359 -19.719 10.442 1.00 2.24 H new ATOM 0 HD3 LYS A 94 2.233 -17.971 10.460 1.00 2.24 H new ATOM 0 HE2 LYS A 94 1.040 -18.325 8.091 1.00 3.17 H new ATOM 0 HE3 LYS A 94 0.783 -19.956 8.677 1.00 3.17 H new ATOM 0 HZ1 LYS A 94 -0.998 -18.239 9.148 1.00 4.50 H new ATOM 0 HZ2 LYS A 94 -0.497 -19.205 10.451 1.00 4.50 H new ATOM 0 HZ3 LYS A 94 0.058 -17.606 10.317 1.00 4.50 H new ATOM 1501 N ALA A 95 5.219 -14.430 9.319 1.00 1.68 N ATOM 1502 CA ALA A 95 6.442 -13.743 8.895 1.00 1.70 C ATOM 1503 C ALA A 95 7.274 -14.706 8.034 1.00 1.84 C ATOM 1504 O ALA A 95 7.515 -15.838 8.449 1.00 2.03 O ATOM 1505 CB ALA A 95 7.207 -13.253 10.131 1.00 1.83 C ATOM 0 H ALA A 95 5.062 -14.431 10.327 1.00 1.68 H new ATOM 0 HA ALA A 95 6.210 -12.866 8.291 1.00 1.70 H new ATOM 0 HB1 ALA A 95 8.117 -12.742 9.817 1.00 1.83 H new ATOM 0 HB2 ALA A 95 6.581 -12.564 10.697 1.00 1.83 H new ATOM 0 HB3 ALA A 95 7.468 -14.105 10.759 1.00 1.83 H new ATOM 1511 N GLY A 96 7.638 -14.288 6.818 1.00 1.86 N ATOM 1512 CA GLY A 96 8.354 -15.129 5.853 1.00 2.09 C ATOM 1513 C GLY A 96 7.476 -15.985 4.932 1.00 2.04 C ATOM 1514 O GLY A 96 8.036 -16.731 4.136 1.00 2.71 O ATOM 0 H GLY A 96 7.442 -13.348 6.472 1.00 1.86 H new ATOM 0 HA2 GLY A 96 8.979 -14.486 5.233 1.00 2.09 H new ATOM 0 HA3 GLY A 96 9.024 -15.790 6.403 1.00 2.09 H new ATOM 1518 N GLU A 97 6.139 -15.872 4.976 1.00 1.50 N ATOM 1519 CA GLU A 97 5.301 -16.295 3.848 1.00 1.43 C ATOM 1520 C GLU A 97 5.418 -15.268 2.710 1.00 1.32 C ATOM 1521 O GLU A 97 5.984 -14.183 2.880 1.00 1.38 O ATOM 1522 CB GLU A 97 3.823 -16.392 4.277 1.00 1.50 C ATOM 1523 CG GLU A 97 3.456 -17.640 5.092 1.00 2.04 C ATOM 1524 CD GLU A 97 1.982 -17.605 5.508 1.00 1.68 C ATOM 1525 OE1 GLU A 97 1.401 -16.504 5.587 1.00 2.27 O ATOM 1526 OE2 GLU A 97 1.356 -18.643 5.795 1.00 2.40 O ATOM 0 H GLU A 97 5.622 -15.496 5.771 1.00 1.50 H new ATOM 0 HA GLU A 97 5.642 -17.274 3.512 1.00 1.43 H new ATOM 0 HB2 GLU A 97 3.574 -15.508 4.865 1.00 1.50 H new ATOM 0 HB3 GLU A 97 3.200 -16.366 3.383 1.00 1.50 H new ATOM 0 HG2 GLU A 97 3.651 -18.535 4.502 1.00 2.04 H new ATOM 0 HG3 GLU A 97 4.087 -17.699 5.979 1.00 2.04 H new ATOM 1533 N GLU A 98 4.783 -15.578 1.580 1.00 1.27 N ATOM 1534 CA GLU A 98 4.288 -14.577 0.643 1.00 1.07 C ATOM 1535 C GLU A 98 2.830 -14.196 0.948 1.00 0.89 C ATOM 1536 O GLU A 98 2.037 -14.986 1.465 1.00 1.26 O ATOM 1537 CB GLU A 98 4.359 -15.101 -0.798 1.00 1.51 C ATOM 1538 CG GLU A 98 5.780 -15.088 -1.369 1.00 2.19 C ATOM 1539 CD GLU A 98 5.781 -15.619 -2.801 1.00 3.26 C ATOM 1540 OE1 GLU A 98 4.960 -15.106 -3.599 1.00 4.47 O ATOM 1541 OE2 GLU A 98 6.574 -16.547 -3.066 1.00 3.59 O ATOM 0 H GLU A 98 4.598 -16.538 1.290 1.00 1.27 H new ATOM 0 HA GLU A 98 4.922 -13.697 0.753 1.00 1.07 H new ATOM 0 HB2 GLU A 98 3.970 -16.119 -0.828 1.00 1.51 H new ATOM 0 HB3 GLU A 98 3.713 -14.494 -1.432 1.00 1.51 H new ATOM 0 HG2 GLU A 98 6.178 -14.073 -1.350 1.00 2.19 H new ATOM 0 HG3 GLU A 98 6.435 -15.699 -0.747 1.00 2.19 H new ATOM 1548 N VAL A 99 2.463 -12.993 0.514 1.00 0.76 N ATOM 1549 CA VAL A 99 1.096 -12.637 0.127 1.00 0.77 C ATOM 1550 C VAL A 99 1.181 -11.973 -1.238 1.00 0.74 C ATOM 1551 O VAL A 99 1.955 -11.035 -1.420 1.00 0.88 O ATOM 1552 CB VAL A 99 0.436 -11.690 1.146 1.00 1.07 C ATOM 1553 CG1 VAL A 99 -0.830 -11.005 0.576 1.00 1.12 C ATOM 1554 CG2 VAL A 99 0.079 -12.486 2.411 1.00 1.34 C ATOM 0 H VAL A 99 3.121 -12.219 0.419 1.00 0.76 H new ATOM 0 HA VAL A 99 0.475 -13.532 0.096 1.00 0.77 H new ATOM 0 HB VAL A 99 1.148 -10.899 1.383 1.00 1.07 H new ATOM 0 HG11 VAL A 99 -1.259 -10.347 1.332 1.00 1.12 H new ATOM 0 HG12 VAL A 99 -0.562 -10.420 -0.304 1.00 1.12 H new ATOM 0 HG13 VAL A 99 -1.561 -11.764 0.298 1.00 1.12 H new ATOM 0 HG21 VAL A 99 -0.389 -11.823 3.138 1.00 1.34 H new ATOM 0 HG22 VAL A 99 -0.613 -13.288 2.153 1.00 1.34 H new ATOM 0 HG23 VAL A 99 0.985 -12.913 2.840 1.00 1.34 H new ATOM 1564 N GLU A 100 0.397 -12.459 -2.197 1.00 0.71 N ATOM 1565 CA GLU A 100 0.364 -11.927 -3.553 1.00 0.75 C ATOM 1566 C GLU A 100 -0.927 -11.131 -3.809 1.00 0.75 C ATOM 1567 O GLU A 100 -1.916 -11.235 -3.075 1.00 0.95 O ATOM 1568 CB GLU A 100 0.690 -13.035 -4.565 1.00 1.46 C ATOM 1569 CG GLU A 100 0.169 -14.450 -4.272 1.00 1.25 C ATOM 1570 CD GLU A 100 -1.347 -14.500 -4.319 1.00 2.53 C ATOM 1571 OE1 GLU A 100 -1.854 -14.596 -5.462 1.00 2.76 O ATOM 1572 OE2 GLU A 100 -1.963 -14.388 -3.241 1.00 4.11 O ATOM 0 H GLU A 100 -0.240 -13.242 -2.051 1.00 0.71 H new ATOM 0 HA GLU A 100 1.151 -11.186 -3.690 1.00 0.75 H new ATOM 0 HB2 GLU A 100 0.298 -12.728 -5.535 1.00 1.46 H new ATOM 0 HB3 GLU A 100 1.774 -13.091 -4.662 1.00 1.46 H new ATOM 0 HG2 GLU A 100 0.581 -15.149 -5.000 1.00 1.25 H new ATOM 0 HG3 GLU A 100 0.515 -14.771 -3.290 1.00 1.25 H new ATOM 1579 N LEU A 101 -0.866 -10.195 -4.768 1.00 0.88 N ATOM 1580 CA LEU A 101 -1.720 -9.008 -4.738 1.00 0.91 C ATOM 1581 C LEU A 101 -1.779 -8.305 -6.105 1.00 0.89 C ATOM 1582 O LEU A 101 -0.757 -8.022 -6.719 1.00 0.93 O ATOM 1583 CB LEU A 101 -1.208 -8.140 -3.560 1.00 1.01 C ATOM 1584 CG LEU A 101 -1.936 -6.862 -3.141 1.00 1.22 C ATOM 1585 CD1 LEU A 101 -1.378 -6.379 -1.796 1.00 1.46 C ATOM 1586 CD2 LEU A 101 -1.783 -5.770 -4.202 1.00 1.69 C ATOM 0 H LEU A 101 -0.236 -10.240 -5.569 1.00 0.88 H new ATOM 0 HA LEU A 101 -2.767 -9.253 -4.560 1.00 0.91 H new ATOM 0 HB2 LEU A 101 -1.169 -8.786 -2.683 1.00 1.01 H new ATOM 0 HB3 LEU A 101 -0.181 -7.859 -3.795 1.00 1.01 H new ATOM 0 HG LEU A 101 -2.999 -7.080 -3.038 1.00 1.22 H new ATOM 0 HD11 LEU A 101 -1.895 -5.468 -1.494 1.00 1.46 H new ATOM 0 HD12 LEU A 101 -1.531 -7.150 -1.041 1.00 1.46 H new ATOM 0 HD13 LEU A 101 -0.312 -6.175 -1.896 1.00 1.46 H new ATOM 0 HD21 LEU A 101 -2.310 -4.872 -3.879 1.00 1.69 H new ATOM 0 HD22 LEU A 101 -0.726 -5.541 -4.339 1.00 1.69 H new ATOM 0 HD23 LEU A 101 -2.204 -6.118 -5.145 1.00 1.69 H new ATOM 1598 N ASP A 102 -2.992 -8.021 -6.565 1.00 0.89 N ATOM 1599 CA ASP A 102 -3.379 -7.237 -7.740 1.00 0.92 C ATOM 1600 C ASP A 102 -3.269 -5.727 -7.471 1.00 0.73 C ATOM 1601 O ASP A 102 -4.132 -5.157 -6.801 1.00 0.78 O ATOM 1602 CB ASP A 102 -4.856 -7.550 -8.031 1.00 1.20 C ATOM 1603 CG ASP A 102 -5.114 -8.882 -8.734 1.00 1.62 C ATOM 1604 OD1 ASP A 102 -4.517 -9.098 -9.811 1.00 1.99 O ATOM 1605 OD2 ASP A 102 -5.933 -9.666 -8.196 1.00 2.69 O ATOM 0 H ASP A 102 -3.817 -8.369 -6.076 1.00 0.89 H new ATOM 0 HA ASP A 102 -2.721 -7.493 -8.570 1.00 0.92 H new ATOM 0 HB2 ASP A 102 -5.404 -7.543 -7.089 1.00 1.20 H new ATOM 0 HB3 ASP A 102 -5.266 -6.748 -8.645 1.00 1.20 H new ATOM 1610 N LEU A 103 -2.252 -5.048 -8.008 1.00 0.67 N ATOM 1611 CA LEU A 103 -2.163 -3.583 -7.970 1.00 0.57 C ATOM 1612 C LEU A 103 -3.063 -2.992 -9.058 1.00 0.57 C ATOM 1613 O LEU A 103 -2.843 -3.274 -10.234 1.00 0.63 O ATOM 1614 CB LEU A 103 -0.703 -3.145 -8.179 1.00 0.60 C ATOM 1615 CG LEU A 103 0.266 -3.609 -7.082 1.00 0.74 C ATOM 1616 CD1 LEU A 103 1.707 -3.301 -7.509 1.00 1.05 C ATOM 1617 CD2 LEU A 103 -0.042 -2.910 -5.756 1.00 1.06 C ATOM 0 H LEU A 103 -1.467 -5.496 -8.481 1.00 0.67 H new ATOM 0 HA LEU A 103 -2.497 -3.219 -6.999 1.00 0.57 H new ATOM 0 HB2 LEU A 103 -0.356 -3.529 -9.138 1.00 0.60 H new ATOM 0 HB3 LEU A 103 -0.669 -2.057 -8.240 1.00 0.60 H new ATOM 0 HG LEU A 103 0.146 -4.683 -6.941 1.00 0.74 H new ATOM 0 HD11 LEU A 103 2.395 -3.630 -6.731 1.00 1.05 H new ATOM 0 HD12 LEU A 103 1.931 -3.826 -8.438 1.00 1.05 H new ATOM 0 HD13 LEU A 103 1.819 -2.228 -7.663 1.00 1.05 H new ATOM 0 HD21 LEU A 103 0.656 -3.253 -4.993 1.00 1.06 H new ATOM 0 HD22 LEU A 103 0.059 -1.832 -5.881 1.00 1.06 H new ATOM 0 HD23 LEU A 103 -1.061 -3.146 -5.448 1.00 1.06 H new ATOM 1629 N LEU A 104 -4.058 -2.186 -8.679 1.00 0.54 N ATOM 1630 CA LEU A 104 -5.146 -1.737 -9.556 1.00 0.60 C ATOM 1631 C LEU A 104 -4.862 -0.348 -10.140 1.00 0.62 C ATOM 1632 O LEU A 104 -4.650 0.614 -9.391 1.00 0.58 O ATOM 1633 CB LEU A 104 -6.476 -1.709 -8.772 1.00 0.62 C ATOM 1634 CG LEU A 104 -6.830 -2.949 -7.942 1.00 0.64 C ATOM 1635 CD1 LEU A 104 -8.226 -2.794 -7.324 1.00 0.71 C ATOM 1636 CD2 LEU A 104 -6.780 -4.244 -8.761 1.00 0.68 C ATOM 0 H LEU A 104 -4.133 -1.818 -7.731 1.00 0.54 H new ATOM 0 HA LEU A 104 -5.220 -2.443 -10.383 1.00 0.60 H new ATOM 0 HB2 LEU A 104 -6.454 -0.850 -8.102 1.00 0.62 H new ATOM 0 HB3 LEU A 104 -7.284 -1.538 -9.484 1.00 0.62 H new ATOM 0 HG LEU A 104 -6.077 -3.025 -7.158 1.00 0.64 H new ATOM 0 HD11 LEU A 104 -8.465 -3.681 -6.737 1.00 0.71 H new ATOM 0 HD12 LEU A 104 -8.242 -1.916 -6.678 1.00 0.71 H new ATOM 0 HD13 LEU A 104 -8.964 -2.674 -8.117 1.00 0.71 H new ATOM 0 HD21 LEU A 104 -7.039 -5.089 -8.123 1.00 0.68 H new ATOM 0 HD22 LEU A 104 -7.490 -4.181 -9.585 1.00 0.68 H new ATOM 0 HD23 LEU A 104 -5.775 -4.385 -9.158 1.00 0.68 H new ATOM 1648 N PHE A 105 -4.914 -0.200 -11.466 1.00 0.71 N ATOM 1649 CA PHE A 105 -4.607 1.068 -12.138 1.00 0.77 C ATOM 1650 C PHE A 105 -5.823 1.673 -12.861 1.00 0.99 C ATOM 1651 O PHE A 105 -6.787 0.983 -13.181 1.00 1.62 O ATOM 1652 CB PHE A 105 -3.399 0.861 -13.060 1.00 0.88 C ATOM 1653 CG PHE A 105 -2.114 0.502 -12.323 1.00 0.82 C ATOM 1654 CD1 PHE A 105 -1.807 -0.840 -12.024 1.00 2.14 C ATOM 1655 CD2 PHE A 105 -1.231 1.515 -11.902 1.00 1.95 C ATOM 1656 CE1 PHE A 105 -0.637 -1.162 -11.313 1.00 2.17 C ATOM 1657 CE2 PHE A 105 -0.068 1.198 -11.180 1.00 1.94 C ATOM 1658 CZ PHE A 105 0.235 -0.143 -10.889 1.00 0.84 C ATOM 0 H PHE A 105 -5.169 -0.953 -12.104 1.00 0.71 H new ATOM 0 HA PHE A 105 -4.347 1.812 -11.385 1.00 0.77 H new ATOM 0 HB2 PHE A 105 -3.630 0.070 -13.773 1.00 0.88 H new ATOM 0 HB3 PHE A 105 -3.234 1.771 -13.636 1.00 0.88 H new ATOM 0 HD1 PHE A 105 -2.475 -1.627 -12.343 1.00 2.14 H new ATOM 0 HD2 PHE A 105 -1.450 2.546 -12.137 1.00 1.95 H new ATOM 0 HE1 PHE A 105 -0.408 -2.194 -11.092 1.00 2.17 H new ATOM 0 HE2 PHE A 105 0.593 1.985 -10.849 1.00 1.94 H new ATOM 0 HZ PHE A 105 1.133 -0.390 -10.342 1.00 0.84 H new ATOM 1668 N ALA A 106 -5.769 2.992 -13.101 1.00 0.68 N ATOM 1669 CA ALA A 106 -6.837 3.801 -13.709 1.00 0.86 C ATOM 1670 C ALA A 106 -6.997 3.561 -15.226 1.00 1.22 C ATOM 1671 O ALA A 106 -6.777 4.460 -16.038 1.00 2.04 O ATOM 1672 CB ALA A 106 -6.583 5.284 -13.388 1.00 1.74 C ATOM 0 H ALA A 106 -4.946 3.547 -12.867 1.00 0.68 H new ATOM 0 HA ALA A 106 -7.787 3.489 -13.274 1.00 0.86 H new ATOM 0 HB1 ALA A 106 -7.369 5.893 -13.834 1.00 1.74 H new ATOM 0 HB2 ALA A 106 -6.582 5.427 -12.307 1.00 1.74 H new ATOM 0 HB3 ALA A 106 -5.617 5.584 -13.794 1.00 1.74 H new ATOM 1678 N GLY A 107 -7.368 2.339 -15.607 1.00 1.69 N ATOM 1679 CA GLY A 107 -7.541 1.899 -16.992 1.00 2.57 C ATOM 1680 C GLY A 107 -7.214 0.419 -17.157 1.00 2.10 C ATOM 1681 O GLY A 107 -7.389 -0.367 -16.230 1.00 2.79 O ATOM 0 H GLY A 107 -7.564 1.599 -14.933 1.00 1.69 H new ATOM 0 HA2 GLY A 107 -8.568 2.082 -17.307 1.00 2.57 H new ATOM 0 HA3 GLY A 107 -6.898 2.489 -17.645 1.00 2.57 H new ATOM 1685 N GLY A 108 -6.728 0.033 -18.342 1.00 2.06 N ATOM 1686 CA GLY A 108 -6.490 -1.365 -18.736 1.00 1.87 C ATOM 1687 C GLY A 108 -5.249 -2.013 -18.111 1.00 1.51 C ATOM 1688 O GLY A 108 -4.484 -2.682 -18.817 1.00 1.95 O ATOM 0 H GLY A 108 -6.482 0.699 -19.074 1.00 2.06 H new ATOM 0 HA2 GLY A 108 -7.365 -1.957 -18.466 1.00 1.87 H new ATOM 0 HA3 GLY A 108 -6.397 -1.410 -19.821 1.00 1.87 H new ATOM 1692 N LYS A 109 -5.005 -1.820 -16.809 1.00 0.94 N ATOM 1693 CA LYS A 109 -3.899 -2.404 -16.080 1.00 0.75 C ATOM 1694 C LYS A 109 -4.261 -2.867 -14.664 1.00 0.67 C ATOM 1695 O LYS A 109 -4.863 -2.155 -13.870 1.00 0.76 O ATOM 1696 CB LYS A 109 -2.774 -1.369 -16.003 1.00 0.75 C ATOM 1697 CG LYS A 109 -1.840 -1.428 -17.207 1.00 1.08 C ATOM 1698 CD LYS A 109 -0.973 -2.692 -17.336 1.00 2.82 C ATOM 1699 CE LYS A 109 -0.608 -2.927 -18.810 1.00 4.11 C ATOM 1700 NZ LYS A 109 -1.765 -3.425 -19.607 1.00 5.11 N ATOM 0 H LYS A 109 -5.599 -1.231 -16.225 1.00 0.94 H new ATOM 0 HA LYS A 109 -3.594 -3.299 -16.622 1.00 0.75 H new ATOM 0 HB2 LYS A 109 -3.207 -0.371 -15.932 1.00 0.75 H new ATOM 0 HB3 LYS A 109 -2.198 -1.531 -15.092 1.00 0.75 H new ATOM 0 HG2 LYS A 109 -2.441 -1.332 -18.111 1.00 1.08 H new ATOM 0 HG3 LYS A 109 -1.179 -0.562 -17.170 1.00 1.08 H new ATOM 0 HD2 LYS A 109 -0.066 -2.584 -16.740 1.00 2.82 H new ATOM 0 HD3 LYS A 109 -1.511 -3.555 -16.944 1.00 2.82 H new ATOM 0 HE2 LYS A 109 -0.244 -1.996 -19.245 1.00 4.11 H new ATOM 0 HE3 LYS A 109 0.208 -3.647 -18.870 1.00 4.11 H new ATOM 0 HZ1 LYS A 109 -1.727 -3.020 -20.564 1.00 5.11 H new ATOM 0 HZ2 LYS A 109 -1.724 -4.462 -19.668 1.00 5.11 H new ATOM 0 HZ3 LYS A 109 -2.653 -3.140 -19.146 1.00 5.11 H new ATOM 1714 N VAL A 110 -3.727 -4.040 -14.363 1.00 0.72 N ATOM 1715 CA VAL A 110 -3.674 -4.677 -13.060 1.00 0.74 C ATOM 1716 C VAL A 110 -2.473 -5.618 -13.025 1.00 0.90 C ATOM 1717 O VAL A 110 -2.220 -6.320 -14.007 1.00 1.06 O ATOM 1718 CB VAL A 110 -5.000 -5.378 -12.720 1.00 0.80 C ATOM 1719 CG1 VAL A 110 -5.482 -6.361 -13.800 1.00 0.91 C ATOM 1720 CG2 VAL A 110 -4.926 -6.078 -11.357 1.00 0.92 C ATOM 0 H VAL A 110 -3.285 -4.615 -15.081 1.00 0.72 H new ATOM 0 HA VAL A 110 -3.541 -3.924 -12.283 1.00 0.74 H new ATOM 0 HB VAL A 110 -5.743 -4.582 -12.677 1.00 0.80 H new ATOM 0 HG11 VAL A 110 -6.422 -6.814 -13.486 1.00 0.91 H new ATOM 0 HG12 VAL A 110 -5.632 -5.826 -14.738 1.00 0.91 H new ATOM 0 HG13 VAL A 110 -4.734 -7.140 -13.943 1.00 0.91 H new ATOM 0 HG21 VAL A 110 -5.878 -6.564 -11.145 1.00 0.92 H new ATOM 0 HG22 VAL A 110 -4.133 -6.826 -11.375 1.00 0.92 H new ATOM 0 HG23 VAL A 110 -4.714 -5.342 -10.581 1.00 0.92 H new ATOM 1730 N LEU A 111 -1.680 -5.534 -11.955 1.00 0.88 N ATOM 1731 CA LEU A 111 -0.400 -6.220 -11.799 1.00 0.97 C ATOM 1732 C LEU A 111 -0.446 -7.106 -10.549 1.00 1.09 C ATOM 1733 O LEU A 111 -0.295 -6.630 -9.424 1.00 1.14 O ATOM 1734 CB LEU A 111 0.699 -5.158 -11.658 1.00 1.17 C ATOM 1735 CG LEU A 111 1.201 -4.420 -12.912 1.00 1.25 C ATOM 1736 CD1 LEU A 111 2.086 -5.338 -13.767 1.00 2.34 C ATOM 1737 CD2 LEU A 111 0.132 -3.776 -13.808 1.00 2.46 C ATOM 0 H LEU A 111 -1.923 -4.965 -11.144 1.00 0.88 H new ATOM 0 HA LEU A 111 -0.194 -6.851 -12.664 1.00 0.97 H new ATOM 0 HB2 LEU A 111 0.338 -4.405 -10.957 1.00 1.17 H new ATOM 0 HB3 LEU A 111 1.561 -5.638 -11.194 1.00 1.17 H new ATOM 0 HG LEU A 111 1.766 -3.585 -12.499 1.00 1.25 H new ATOM 0 HD11 LEU A 111 2.429 -4.795 -14.648 1.00 2.34 H new ATOM 0 HD12 LEU A 111 2.947 -5.662 -13.182 1.00 2.34 H new ATOM 0 HD13 LEU A 111 1.511 -6.210 -14.079 1.00 2.34 H new ATOM 0 HD21 LEU A 111 0.613 -3.289 -14.656 1.00 2.46 H new ATOM 0 HD22 LEU A 111 -0.550 -4.545 -14.171 1.00 2.46 H new ATOM 0 HD23 LEU A 111 -0.427 -3.037 -13.234 1.00 2.46 H new ATOM 1749 N LYS A 112 -0.623 -8.408 -10.748 1.00 1.37 N ATOM 1750 CA LYS A 112 -0.717 -9.398 -9.663 1.00 1.68 C ATOM 1751 C LYS A 112 0.678 -9.763 -9.121 1.00 1.89 C ATOM 1752 O LYS A 112 1.219 -10.834 -9.407 1.00 2.74 O ATOM 1753 CB LYS A 112 -1.574 -10.601 -10.110 1.00 2.02 C ATOM 1754 CG LYS A 112 -2.324 -11.266 -8.935 1.00 2.73 C ATOM 1755 CD LYS A 112 -1.487 -12.086 -7.944 1.00 2.19 C ATOM 1756 CE LYS A 112 -0.835 -13.292 -8.629 1.00 1.86 C ATOM 1757 NZ LYS A 112 -0.279 -14.227 -7.627 1.00 2.70 N ATOM 0 H LYS A 112 -0.707 -8.818 -11.678 1.00 1.37 H new ATOM 0 HA LYS A 112 -1.240 -8.964 -8.811 1.00 1.68 H new ATOM 0 HB2 LYS A 112 -2.296 -10.270 -10.856 1.00 2.02 H new ATOM 0 HB3 LYS A 112 -0.933 -11.340 -10.592 1.00 2.02 H new ATOM 0 HG2 LYS A 112 -2.839 -10.484 -8.377 1.00 2.73 H new ATOM 0 HG3 LYS A 112 -3.092 -11.919 -9.350 1.00 2.73 H new ATOM 0 HD2 LYS A 112 -0.715 -11.453 -7.506 1.00 2.19 H new ATOM 0 HD3 LYS A 112 -2.121 -12.429 -7.126 1.00 2.19 H new ATOM 0 HE2 LYS A 112 -1.571 -13.808 -9.245 1.00 1.86 H new ATOM 0 HE3 LYS A 112 -0.042 -12.953 -9.296 1.00 1.86 H new ATOM 0 HZ1 LYS A 112 -0.201 -15.176 -8.044 1.00 2.70 H new ATOM 0 HZ2 LYS A 112 0.663 -13.900 -7.332 1.00 2.70 H new ATOM 0 HZ3 LYS A 112 -0.908 -14.263 -6.799 1.00 2.70 H new ATOM 1771 N VAL A 113 1.277 -8.854 -8.356 1.00 1.34 N ATOM 1772 CA VAL A 113 2.642 -8.970 -7.817 1.00 1.36 C ATOM 1773 C VAL A 113 2.734 -10.017 -6.703 1.00 1.26 C ATOM 1774 O VAL A 113 1.737 -10.362 -6.074 1.00 1.14 O ATOM 1775 CB VAL A 113 3.203 -7.617 -7.320 1.00 1.36 C ATOM 1776 CG1 VAL A 113 3.332 -6.626 -8.485 1.00 1.63 C ATOM 1777 CG2 VAL A 113 2.401 -6.975 -6.176 1.00 1.37 C ATOM 0 H VAL A 113 0.816 -7.986 -8.082 1.00 1.34 H new ATOM 0 HA VAL A 113 3.259 -9.300 -8.652 1.00 1.36 H new ATOM 0 HB VAL A 113 4.185 -7.848 -6.907 1.00 1.36 H new ATOM 0 HG11 VAL A 113 3.728 -5.680 -8.116 1.00 1.63 H new ATOM 0 HG12 VAL A 113 4.008 -7.034 -9.237 1.00 1.63 H new ATOM 0 HG13 VAL A 113 2.352 -6.459 -8.931 1.00 1.63 H new ATOM 0 HG21 VAL A 113 2.865 -6.031 -5.891 1.00 1.37 H new ATOM 0 HG22 VAL A 113 1.379 -6.791 -6.507 1.00 1.37 H new ATOM 0 HG23 VAL A 113 2.389 -7.647 -5.318 1.00 1.37 H new ATOM 1787 N VAL A 114 3.954 -10.494 -6.459 1.00 1.42 N ATOM 1788 CA VAL A 114 4.364 -11.297 -5.304 1.00 1.35 C ATOM 1789 C VAL A 114 5.070 -10.401 -4.279 1.00 1.34 C ATOM 1790 O VAL A 114 5.825 -9.513 -4.676 1.00 1.52 O ATOM 1791 CB VAL A 114 5.246 -12.491 -5.708 1.00 1.48 C ATOM 1792 CG1 VAL A 114 4.406 -13.584 -6.394 1.00 2.53 C ATOM 1793 CG2 VAL A 114 6.348 -12.047 -6.663 1.00 3.27 C ATOM 0 H VAL A 114 4.729 -10.321 -7.099 1.00 1.42 H new ATOM 0 HA VAL A 114 3.468 -11.720 -4.849 1.00 1.35 H new ATOM 0 HB VAL A 114 5.691 -12.893 -4.798 1.00 1.48 H new ATOM 0 HG11 VAL A 114 5.051 -14.418 -6.671 1.00 2.53 H new ATOM 0 HG12 VAL A 114 3.634 -13.934 -5.708 1.00 2.53 H new ATOM 0 HG13 VAL A 114 3.938 -13.175 -7.289 1.00 2.53 H new ATOM 0 HG21 VAL A 114 6.960 -12.906 -6.936 1.00 3.27 H new ATOM 0 HG22 VAL A 114 5.901 -11.619 -7.561 1.00 3.27 H new ATOM 0 HG23 VAL A 114 6.972 -11.297 -6.176 1.00 3.27 H new ATOM 1803 N LEU A 115 4.803 -10.591 -2.982 1.00 1.26 N ATOM 1804 CA LEU A 115 5.400 -9.813 -1.884 1.00 1.30 C ATOM 1805 C LEU A 115 5.651 -10.744 -0.682 1.00 1.28 C ATOM 1806 O LEU A 115 4.740 -11.499 -0.324 1.00 1.28 O ATOM 1807 CB LEU A 115 4.445 -8.679 -1.435 1.00 1.36 C ATOM 1808 CG LEU A 115 3.995 -7.679 -2.519 1.00 1.54 C ATOM 1809 CD1 LEU A 115 2.782 -6.884 -2.020 1.00 1.87 C ATOM 1810 CD2 LEU A 115 5.124 -6.707 -2.890 1.00 1.69 C ATOM 0 H LEU A 115 4.152 -11.305 -2.656 1.00 1.26 H new ATOM 0 HA LEU A 115 6.335 -9.377 -2.237 1.00 1.30 H new ATOM 0 HB2 LEU A 115 3.554 -9.136 -1.004 1.00 1.36 H new ATOM 0 HB3 LEU A 115 4.934 -8.119 -0.638 1.00 1.36 H new ATOM 0 HG LEU A 115 3.728 -8.248 -3.409 1.00 1.54 H new ATOM 0 HD11 LEU A 115 2.468 -6.179 -2.789 1.00 1.87 H new ATOM 0 HD12 LEU A 115 1.963 -7.569 -1.800 1.00 1.87 H new ATOM 0 HD13 LEU A 115 3.052 -6.338 -1.116 1.00 1.87 H new ATOM 0 HD21 LEU A 115 4.772 -6.016 -3.656 1.00 1.69 H new ATOM 0 HD22 LEU A 115 5.425 -6.145 -2.006 1.00 1.69 H new ATOM 0 HD23 LEU A 115 5.977 -7.269 -3.271 1.00 1.69 H new ATOM 1822 N PRO A 116 6.818 -10.681 -0.011 1.00 1.36 N ATOM 1823 CA PRO A 116 7.047 -11.381 1.248 1.00 1.35 C ATOM 1824 C PRO A 116 6.236 -10.758 2.393 1.00 1.32 C ATOM 1825 O PRO A 116 5.767 -9.623 2.308 1.00 1.42 O ATOM 1826 CB PRO A 116 8.555 -11.280 1.499 1.00 1.50 C ATOM 1827 CG PRO A 116 8.931 -9.963 0.822 1.00 1.57 C ATOM 1828 CD PRO A 116 8.012 -9.943 -0.399 1.00 1.49 C ATOM 0 HA PRO A 116 6.721 -12.420 1.197 1.00 1.35 H new ATOM 0 HB2 PRO A 116 8.786 -11.266 2.564 1.00 1.50 H new ATOM 0 HB3 PRO A 116 9.093 -12.124 1.067 1.00 1.50 H new ATOM 0 HG2 PRO A 116 8.757 -9.107 1.475 1.00 1.57 H new ATOM 0 HG3 PRO A 116 9.983 -9.939 0.538 1.00 1.57 H new ATOM 0 HD2 PRO A 116 7.764 -8.921 -0.685 1.00 1.49 H new ATOM 0 HD3 PRO A 116 8.495 -10.406 -1.259 1.00 1.49 H new ATOM 1836 N VAL A 117 6.080 -11.504 3.483 1.00 1.31 N ATOM 1837 CA VAL A 117 5.400 -11.078 4.709 1.00 1.30 C ATOM 1838 C VAL A 117 6.408 -10.753 5.823 1.00 1.28 C ATOM 1839 O VAL A 117 7.417 -11.444 5.973 1.00 1.51 O ATOM 1840 CB VAL A 117 4.443 -12.194 5.169 1.00 1.33 C ATOM 1841 CG1 VAL A 117 3.799 -11.879 6.521 1.00 1.35 C ATOM 1842 CG2 VAL A 117 3.312 -12.412 4.153 1.00 1.39 C ATOM 0 H VAL A 117 6.436 -12.458 3.542 1.00 1.31 H new ATOM 0 HA VAL A 117 4.836 -10.169 4.498 1.00 1.30 H new ATOM 0 HB VAL A 117 5.054 -13.093 5.256 1.00 1.33 H new ATOM 0 HG11 VAL A 117 3.132 -12.693 6.805 1.00 1.35 H new ATOM 0 HG12 VAL A 117 4.576 -11.766 7.277 1.00 1.35 H new ATOM 0 HG13 VAL A 117 3.229 -10.953 6.446 1.00 1.35 H new ATOM 0 HG21 VAL A 117 2.654 -13.206 4.506 1.00 1.39 H new ATOM 0 HG22 VAL A 117 2.741 -11.490 4.041 1.00 1.39 H new ATOM 0 HG23 VAL A 117 3.737 -12.695 3.190 1.00 1.39 H new ATOM 1852 N GLU A 118 6.074 -9.761 6.654 1.00 1.09 N ATOM 1853 CA GLU A 118 6.779 -9.394 7.889 1.00 1.04 C ATOM 1854 C GLU A 118 5.749 -8.967 8.957 1.00 1.21 C ATOM 1855 O GLU A 118 4.623 -8.603 8.622 1.00 1.44 O ATOM 1856 CB GLU A 118 7.814 -8.294 7.575 1.00 1.15 C ATOM 1857 CG GLU A 118 9.196 -8.555 8.174 1.00 1.53 C ATOM 1858 CD GLU A 118 9.255 -8.131 9.630 1.00 2.31 C ATOM 1859 OE1 GLU A 118 8.836 -8.945 10.479 1.00 3.68 O ATOM 1860 OE2 GLU A 118 9.687 -6.975 9.850 1.00 2.87 O ATOM 0 H GLU A 118 5.267 -9.163 6.477 1.00 1.09 H new ATOM 0 HA GLU A 118 7.327 -10.245 8.295 1.00 1.04 H new ATOM 0 HB2 GLU A 118 7.910 -8.197 6.494 1.00 1.15 H new ATOM 0 HB3 GLU A 118 7.441 -7.340 7.949 1.00 1.15 H new ATOM 0 HG2 GLU A 118 9.436 -9.615 8.092 1.00 1.53 H new ATOM 0 HG3 GLU A 118 9.950 -8.012 7.604 1.00 1.53 H new ATOM 1867 N ALA A 119 6.085 -9.053 10.247 1.00 1.40 N ATOM 1868 CA ALA A 119 5.153 -8.949 11.380 1.00 1.84 C ATOM 1869 C ALA A 119 5.063 -7.522 11.961 1.00 2.05 C ATOM 1870 O ALA A 119 5.070 -7.340 13.182 1.00 2.71 O ATOM 1871 CB ALA A 119 5.594 -9.985 12.425 1.00 2.12 C ATOM 0 H ALA A 119 7.049 -9.203 10.545 1.00 1.40 H new ATOM 0 HA ALA A 119 4.138 -9.160 11.043 1.00 1.84 H new ATOM 0 HB1 ALA A 119 4.926 -9.941 13.285 1.00 2.12 H new ATOM 0 HB2 ALA A 119 5.556 -10.982 11.987 1.00 2.12 H new ATOM 0 HB3 ALA A 119 6.613 -9.768 12.745 1.00 2.12 H new ATOM 1877 N ARG A 120 5.032 -6.519 11.079 1.00 1.92 N ATOM 1878 CA ARG A 120 5.515 -5.159 11.365 1.00 1.89 C ATOM 1879 C ARG A 120 4.524 -4.075 10.949 1.00 2.20 C ATOM 1880 O ARG A 120 3.715 -3.671 11.811 1.00 2.57 O ATOM 1881 CB ARG A 120 6.898 -5.074 10.696 1.00 2.05 C ATOM 1882 CG ARG A 120 7.712 -3.792 10.918 1.00 2.17 C ATOM 1883 CD ARG A 120 9.126 -4.091 10.396 1.00 2.44 C ATOM 1884 NE ARG A 120 9.990 -2.903 10.213 1.00 2.87 N ATOM 1885 CZ ARG A 120 10.847 -2.759 9.218 1.00 3.88 C ATOM 1886 NH1 ARG A 120 10.995 -3.653 8.287 1.00 4.47 N ATOM 1887 NH2 ARG A 120 11.578 -1.689 9.098 1.00 5.09 N ATOM 1888 OXT ARG A 120 4.508 -3.684 9.762 1.00 2.94 O ATOM 0 H ARG A 120 4.666 -6.627 10.133 1.00 1.92 H new ATOM 0 HA ARG A 120 5.608 -4.970 12.435 1.00 1.89 H new ATOM 0 HB2 ARG A 120 7.494 -5.917 11.047 1.00 2.05 H new ATOM 0 HB3 ARG A 120 6.762 -5.205 9.623 1.00 2.05 H new ATOM 0 HG2 ARG A 120 7.269 -2.951 10.384 1.00 2.17 H new ATOM 0 HG3 ARG A 120 7.735 -3.523 11.974 1.00 2.17 H new ATOM 0 HD2 ARG A 120 9.616 -4.774 11.090 1.00 2.44 H new ATOM 0 HD3 ARG A 120 9.042 -4.611 9.442 1.00 2.44 H new ATOM 0 HE ARG A 120 9.919 -2.150 10.897 1.00 2.87 H new ATOM 0 HH11 ARG A 120 10.437 -4.507 8.307 1.00 4.47 H new ATOM 0 HH12 ARG A 120 11.669 -3.501 7.537 1.00 4.47 H new ATOM 0 HH21 ARG A 120 11.497 -0.937 9.782 1.00 5.09 H new ATOM 0 HH22 ARG A 120 12.232 -1.603 8.320 1.00 5.09 H new