USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 909 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 92 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.18) USER MOD Set 1.2: A 123 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 46 MET CE :methyl -110:sc= -6.52! (180deg=-12.5!) USER MOD Set 2.2: A 48 MET CE :methyl -175:sc= -4.06! (180deg=-4.09!) USER MOD Set 2.3: A 87 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 18 GLN : amide:sc= -0.0893 K(o=-1,f=-1.9) USER MOD Set 3.2: A 21 THR OG1 : rot -177:sc= -0.947 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.326 USER MOD Single : A 24 GLN : amide:sc= -0.0413 K(o=-0.041,f=-1) USER MOD Single : A 33 ASN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 36 ASN : amide:sc= -3.07! C(o=-3.1!,f=-6.3!) USER MOD Single : A 44 GLN : amide:sc= -0.978 K(o=-0.98,f=-5.5!) USER MOD Single : A 47 MET CE :methyl -147:sc= -0.285 (180deg=-1.12) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN :FLIP amide:sc=-0.00167 F(o=-1.3,f=-0.0017) USER MOD Single : A 60 HIS : no HD1:sc= -2.67 K(o=-2.7,f=-5.2!) USER MOD Single : A 65 ASN : amide:sc= -0.475 K(o=-0.47,f=-9.3!) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 73 THR OG1 : rot 131:sc= -1.21 USER MOD Single : A 77 HIS :FLIP no HE2:sc= -1.03 F(o=-3!,f=-1) USER MOD Single : A 101 CYS SG : rot 180:sc= -0.275 USER MOD Single : A 115 GLN : amide:sc= -0.0378 X(o=-0.038,f=-0.052) USER MOD Single : A 117 HIS : no HD1:sc= -3.06 K(o=-3.1,f=-6.3!) USER MOD Single : A 125 HIS : no HD1:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 128 THR OG1 : rot -59:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 150 N ASP A 7 105.811 2.318 -17.525 1.00 2.39 N ATOM 151 CA ASP A 7 105.809 1.193 -16.543 1.00 2.61 C ATOM 152 C ASP A 7 106.707 1.540 -15.352 1.00 2.76 C ATOM 153 O ASP A 7 106.284 1.507 -14.213 1.00 3.18 O ATOM 154 CB ASP A 7 106.365 -0.010 -17.307 1.00 2.98 C ATOM 155 CG ASP A 7 105.209 -0.834 -17.875 1.00 2.79 C ATOM 156 OD1 ASP A 7 104.209 -0.240 -18.244 1.00 2.48 O ATOM 157 OD2 ASP A 7 105.341 -2.045 -17.932 1.00 3.31 O ATOM 0 HA ASP A 7 104.814 0.991 -16.146 1.00 2.61 H new ATOM 0 HB2 ASP A 7 107.015 0.328 -18.114 1.00 2.98 H new ATOM 0 HB3 ASP A 7 106.973 -0.626 -16.644 1.00 2.98 H new ATOM 162 N ALA A 8 107.943 1.878 -15.608 1.00 2.74 N ATOM 163 CA ALA A 8 108.867 2.236 -14.494 1.00 2.94 C ATOM 164 C ALA A 8 108.896 3.755 -14.297 1.00 2.66 C ATOM 165 O ALA A 8 109.799 4.293 -13.687 1.00 2.49 O ATOM 166 CB ALA A 8 110.241 1.730 -14.935 1.00 3.29 C ATOM 0 H ALA A 8 108.352 1.921 -16.541 1.00 2.74 H new ATOM 0 HA ALA A 8 108.556 1.797 -13.546 1.00 2.94 H new ATOM 0 HB1 ALA A 8 110.977 1.958 -14.164 1.00 3.29 H new ATOM 0 HB2 ALA A 8 110.199 0.652 -15.090 1.00 3.29 H new ATOM 0 HB3 ALA A 8 110.527 2.219 -15.866 1.00 3.29 H new ATOM 172 N GLY A 9 107.913 4.451 -14.808 1.00 2.63 N ATOM 173 CA GLY A 9 107.882 5.933 -14.649 1.00 2.42 C ATOM 174 C GLY A 9 107.672 6.281 -13.175 1.00 2.17 C ATOM 175 O GLY A 9 108.233 7.230 -12.665 1.00 1.97 O ATOM 0 H GLY A 9 107.130 4.055 -15.329 1.00 2.63 H new ATOM 0 HA2 GLY A 9 108.815 6.368 -15.007 1.00 2.42 H new ATOM 0 HA3 GLY A 9 107.080 6.358 -15.252 1.00 2.42 H new ATOM 179 N LEU A 10 106.869 5.516 -12.487 1.00 2.24 N ATOM 180 CA LEU A 10 106.622 5.796 -11.041 1.00 2.07 C ATOM 181 C LEU A 10 107.938 5.730 -10.258 1.00 1.86 C ATOM 182 O LEU A 10 108.094 6.366 -9.236 1.00 1.71 O ATOM 183 CB LEU A 10 105.662 4.698 -10.578 1.00 2.23 C ATOM 184 CG LEU A 10 106.300 3.321 -10.796 1.00 1.74 C ATOM 185 CD1 LEU A 10 107.068 2.906 -9.538 1.00 1.76 C ATOM 186 CD2 LEU A 10 105.200 2.297 -11.089 1.00 2.20 C ATOM 0 H LEU A 10 106.372 4.708 -12.863 1.00 2.24 H new ATOM 0 HA LEU A 10 106.206 6.790 -10.879 1.00 2.07 H new ATOM 0 HB2 LEU A 10 105.421 4.834 -9.524 1.00 2.23 H new ATOM 0 HB3 LEU A 10 104.725 4.766 -11.130 1.00 2.23 H new ATOM 0 HG LEU A 10 106.990 3.366 -11.638 1.00 1.74 H new ATOM 0 HD11 LEU A 10 107.521 1.927 -9.695 1.00 1.76 H new ATOM 0 HD12 LEU A 10 107.849 3.638 -9.330 1.00 1.76 H new ATOM 0 HD13 LEU A 10 106.382 2.857 -8.692 1.00 1.76 H new ATOM 0 HD21 LEU A 10 105.648 1.316 -11.245 1.00 2.20 H new ATOM 0 HD22 LEU A 10 104.511 2.251 -10.245 1.00 2.20 H new ATOM 0 HD23 LEU A 10 104.656 2.594 -11.986 1.00 2.20 H new ATOM 198 N ALA A 11 108.883 4.963 -10.735 1.00 1.89 N ATOM 199 CA ALA A 11 110.189 4.854 -10.022 1.00 1.72 C ATOM 200 C ALA A 11 111.073 6.058 -10.361 1.00 1.65 C ATOM 201 O ALA A 11 111.653 6.676 -9.490 1.00 1.52 O ATOM 202 CB ALA A 11 110.817 3.562 -10.543 1.00 1.87 C ATOM 0 H ALA A 11 108.807 4.408 -11.587 1.00 1.89 H new ATOM 0 HA ALA A 11 110.072 4.840 -8.938 1.00 1.72 H new ATOM 0 HB1 ALA A 11 111.785 3.409 -10.065 1.00 1.87 H new ATOM 0 HB2 ALA A 11 110.162 2.721 -10.314 1.00 1.87 H new ATOM 0 HB3 ALA A 11 110.953 3.633 -11.622 1.00 1.87 H new ATOM 208 N THR A 12 111.177 6.396 -11.620 1.00 1.78 N ATOM 209 CA THR A 12 112.020 7.564 -12.012 1.00 1.78 C ATOM 210 C THR A 12 111.463 8.842 -11.380 1.00 1.64 C ATOM 211 O THR A 12 112.175 9.592 -10.741 1.00 1.56 O ATOM 212 CB THR A 12 111.929 7.639 -13.539 1.00 2.00 C ATOM 213 OG1 THR A 12 110.591 7.933 -13.918 1.00 2.15 O ATOM 214 CG2 THR A 12 112.350 6.301 -14.150 1.00 2.09 C ATOM 0 H THR A 12 110.716 5.915 -12.392 1.00 1.78 H new ATOM 0 HA THR A 12 113.052 7.458 -11.676 1.00 1.78 H new ATOM 0 HB THR A 12 112.593 8.424 -13.901 1.00 2.00 H new ATOM 0 HG1 THR A 12 110.531 7.983 -14.895 1.00 2.15 H new ATOM 0 HG21 THR A 12 112.283 6.360 -15.236 1.00 2.09 H new ATOM 0 HG22 THR A 12 113.377 6.076 -13.861 1.00 2.09 H new ATOM 0 HG23 THR A 12 111.690 5.512 -13.788 1.00 2.09 H new ATOM 222 N ALA A 13 110.190 9.090 -11.548 1.00 1.65 N ATOM 223 CA ALA A 13 109.580 10.315 -10.953 1.00 1.57 C ATOM 224 C ALA A 13 109.757 10.296 -9.432 1.00 1.43 C ATOM 225 O ALA A 13 109.933 11.322 -8.805 1.00 1.39 O ATOM 226 CB ALA A 13 108.098 10.242 -11.322 1.00 1.65 C ATOM 0 H ALA A 13 109.547 8.497 -12.072 1.00 1.65 H new ATOM 0 HA ALA A 13 110.043 11.231 -11.320 1.00 1.57 H new ATOM 0 HB1 ALA A 13 107.579 11.112 -10.918 1.00 1.65 H new ATOM 0 HB2 ALA A 13 107.993 10.228 -12.407 1.00 1.65 H new ATOM 0 HB3 ALA A 13 107.663 9.334 -10.904 1.00 1.65 H new ATOM 232 N ALA A 14 109.718 9.133 -8.841 1.00 1.38 N ATOM 233 CA ALA A 14 109.889 9.039 -7.363 1.00 1.26 C ATOM 234 C ALA A 14 111.353 9.293 -6.990 1.00 1.23 C ATOM 235 O ALA A 14 111.649 9.892 -5.975 1.00 1.21 O ATOM 236 CB ALA A 14 109.483 7.608 -7.007 1.00 1.25 C ATOM 0 H ALA A 14 109.575 8.243 -9.318 1.00 1.38 H new ATOM 0 HA ALA A 14 109.290 9.775 -6.827 1.00 1.26 H new ATOM 0 HB1 ALA A 14 109.582 7.459 -5.932 1.00 1.25 H new ATOM 0 HB2 ALA A 14 108.448 7.439 -7.303 1.00 1.25 H new ATOM 0 HB3 ALA A 14 110.130 6.905 -7.532 1.00 1.25 H new ATOM 242 N ALA A 15 112.268 8.842 -7.806 1.00 1.28 N ATOM 243 CA ALA A 15 113.715 9.058 -7.504 1.00 1.28 C ATOM 244 C ALA A 15 114.020 10.556 -7.440 1.00 1.34 C ATOM 245 O ALA A 15 114.935 10.984 -6.763 1.00 1.38 O ATOM 246 CB ALA A 15 114.469 8.403 -8.663 1.00 1.41 C ATOM 0 H ALA A 15 112.077 8.333 -8.669 1.00 1.28 H new ATOM 0 HA ALA A 15 114.004 8.633 -6.543 1.00 1.28 H new ATOM 0 HB1 ALA A 15 115.542 8.521 -8.512 1.00 1.41 H new ATOM 0 HB2 ALA A 15 114.223 7.342 -8.704 1.00 1.41 H new ATOM 0 HB3 ALA A 15 114.180 8.879 -9.600 1.00 1.41 H new ATOM 252 N ARG A 16 113.259 11.355 -8.137 1.00 1.38 N ATOM 253 CA ARG A 16 113.499 12.827 -8.115 1.00 1.47 C ATOM 254 C ARG A 16 112.628 13.492 -7.045 1.00 1.43 C ATOM 255 O ARG A 16 112.880 14.609 -6.634 1.00 1.61 O ATOM 256 CB ARG A 16 113.103 13.311 -9.510 1.00 1.61 C ATOM 257 CG ARG A 16 113.994 12.638 -10.556 1.00 2.39 C ATOM 258 CD ARG A 16 113.246 12.550 -11.889 1.00 3.01 C ATOM 259 NE ARG A 16 114.026 13.400 -12.832 1.00 3.55 N ATOM 260 CZ ARG A 16 113.560 13.641 -14.027 1.00 4.37 C ATOM 261 NH1 ARG A 16 113.583 12.706 -14.937 1.00 4.89 N ATOM 262 NH2 ARG A 16 113.072 14.817 -14.312 1.00 4.94 N ATOM 0 H ARG A 16 112.480 11.052 -8.722 1.00 1.38 H new ATOM 0 HA ARG A 16 114.533 13.074 -7.876 1.00 1.47 H new ATOM 0 HB2 ARG A 16 112.056 13.077 -9.704 1.00 1.61 H new ATOM 0 HB3 ARG A 16 113.205 14.394 -9.573 1.00 1.61 H new ATOM 0 HG2 ARG A 16 114.916 13.205 -10.682 1.00 2.39 H new ATOM 0 HG3 ARG A 16 114.277 11.640 -10.220 1.00 2.39 H new ATOM 0 HD2 ARG A 16 113.190 11.520 -12.242 1.00 3.01 H new ATOM 0 HD3 ARG A 16 112.222 12.909 -11.790 1.00 3.01 H new ATOM 0 HE ARG A 16 114.922 13.793 -12.544 1.00 3.55 H new ATOM 0 HH11 ARG A 16 113.965 11.787 -14.714 1.00 4.89 H new ATOM 0 HH12 ARG A 16 113.219 12.894 -15.871 1.00 4.89 H new ATOM 0 HH21 ARG A 16 113.055 15.548 -13.601 1.00 4.94 H new ATOM 0 HH22 ARG A 16 112.708 15.005 -15.246 1.00 4.94 H new ATOM 276 N GLY A 17 111.607 12.816 -6.587 1.00 1.28 N ATOM 277 CA GLY A 17 110.722 13.410 -5.543 1.00 1.27 C ATOM 278 C GLY A 17 109.490 14.024 -6.207 1.00 1.35 C ATOM 279 O GLY A 17 109.180 15.183 -6.008 1.00 1.44 O ATOM 0 H GLY A 17 111.348 11.878 -6.891 1.00 1.28 H new ATOM 0 HA2 GLY A 17 110.419 12.644 -4.829 1.00 1.27 H new ATOM 0 HA3 GLY A 17 111.264 14.172 -4.983 1.00 1.27 H new ATOM 283 N GLN A 18 108.785 13.259 -6.997 1.00 1.40 N ATOM 284 CA GLN A 18 107.573 13.801 -7.676 1.00 1.50 C ATOM 285 C GLN A 18 106.349 12.933 -7.364 1.00 1.45 C ATOM 286 O GLN A 18 105.936 12.119 -8.167 1.00 1.53 O ATOM 287 CB GLN A 18 107.898 13.744 -9.170 1.00 1.61 C ATOM 288 CG GLN A 18 108.848 14.888 -9.534 1.00 1.87 C ATOM 289 CD GLN A 18 108.066 16.004 -10.229 1.00 2.29 C ATOM 290 OE1 GLN A 18 106.890 16.183 -9.982 1.00 2.57 O ATOM 291 NE2 GLN A 18 108.674 16.769 -11.094 1.00 2.77 N ATOM 0 H GLN A 18 108.996 12.282 -7.201 1.00 1.40 H new ATOM 0 HA GLN A 18 107.336 14.812 -7.344 1.00 1.50 H new ATOM 0 HB2 GLN A 18 108.355 12.786 -9.416 1.00 1.61 H new ATOM 0 HB3 GLN A 18 106.981 13.819 -9.755 1.00 1.61 H new ATOM 0 HG2 GLN A 18 109.330 15.273 -8.636 1.00 1.87 H new ATOM 0 HG3 GLN A 18 109.639 14.523 -10.189 1.00 1.87 H new ATOM 0 HE21 GLN A 18 109.661 16.619 -11.302 1.00 2.77 H new ATOM 0 HE22 GLN A 18 108.162 17.517 -11.562 1.00 2.77 H new ATOM 300 N VAL A 19 105.761 13.104 -6.209 1.00 1.42 N ATOM 301 CA VAL A 19 104.558 12.289 -5.859 1.00 1.38 C ATOM 302 C VAL A 19 103.432 12.578 -6.856 1.00 1.48 C ATOM 303 O VAL A 19 102.704 11.692 -7.258 1.00 1.58 O ATOM 304 CB VAL A 19 104.160 12.739 -4.449 1.00 1.39 C ATOM 305 CG1 VAL A 19 102.889 12.007 -4.010 1.00 1.42 C ATOM 306 CG2 VAL A 19 105.293 12.413 -3.472 1.00 1.26 C ATOM 0 H VAL A 19 106.059 13.769 -5.495 1.00 1.42 H new ATOM 0 HA VAL A 19 104.756 11.218 -5.895 1.00 1.38 H new ATOM 0 HB VAL A 19 103.975 13.813 -4.454 1.00 1.39 H new ATOM 0 HG11 VAL A 19 102.611 12.331 -3.007 1.00 1.42 H new ATOM 0 HG12 VAL A 19 102.079 12.236 -4.703 1.00 1.42 H new ATOM 0 HG13 VAL A 19 103.071 10.932 -4.007 1.00 1.42 H new ATOM 0 HG21 VAL A 19 105.011 12.733 -2.469 1.00 1.26 H new ATOM 0 HG22 VAL A 19 105.476 11.338 -3.473 1.00 1.26 H new ATOM 0 HG23 VAL A 19 106.199 12.936 -3.778 1.00 1.26 H new ATOM 316 N GLU A 20 103.284 13.814 -7.256 1.00 1.49 N ATOM 317 CA GLU A 20 102.205 14.165 -8.226 1.00 1.60 C ATOM 318 C GLU A 20 102.375 13.369 -9.522 1.00 1.64 C ATOM 319 O GLU A 20 101.425 12.834 -10.061 1.00 1.71 O ATOM 320 CB GLU A 20 102.376 15.663 -8.488 1.00 1.67 C ATOM 321 CG GLU A 20 101.353 16.446 -7.661 1.00 1.90 C ATOM 322 CD GLU A 20 101.301 17.895 -8.150 1.00 1.89 C ATOM 323 OE1 GLU A 20 102.357 18.457 -8.389 1.00 2.28 O ATOM 324 OE2 GLU A 20 100.206 18.417 -8.277 1.00 2.12 O ATOM 0 H GLU A 20 103.864 14.596 -6.952 1.00 1.49 H new ATOM 0 HA GLU A 20 101.213 13.930 -7.840 1.00 1.60 H new ATOM 0 HB2 GLU A 20 103.387 15.976 -8.226 1.00 1.67 H new ATOM 0 HB3 GLU A 20 102.241 15.875 -9.549 1.00 1.67 H new ATOM 0 HG2 GLU A 20 100.369 15.986 -7.750 1.00 1.90 H new ATOM 0 HG3 GLU A 20 101.624 16.417 -6.606 1.00 1.90 H new ATOM 331 N THR A 21 103.578 13.282 -10.024 1.00 1.62 N ATOM 332 CA THR A 21 103.808 12.515 -11.285 1.00 1.69 C ATOM 333 C THR A 21 103.493 11.034 -11.061 1.00 1.67 C ATOM 334 O THR A 21 102.878 10.388 -11.886 1.00 1.80 O ATOM 335 CB THR A 21 105.293 12.708 -11.604 1.00 1.67 C ATOM 336 OG1 THR A 21 105.621 14.086 -11.505 1.00 1.66 O ATOM 337 CG2 THR A 21 105.579 12.215 -13.023 1.00 1.78 C ATOM 0 H THR A 21 104.411 13.708 -9.617 1.00 1.62 H new ATOM 0 HA THR A 21 103.172 12.857 -12.101 1.00 1.69 H new ATOM 0 HB THR A 21 105.895 12.139 -10.895 1.00 1.67 H new ATOM 0 HG1 THR A 21 106.560 14.217 -11.754 1.00 1.66 H new ATOM 0 HG21 THR A 21 106.636 12.353 -13.250 1.00 1.78 H new ATOM 0 HG22 THR A 21 105.326 11.157 -13.099 1.00 1.78 H new ATOM 0 HG23 THR A 21 104.979 12.783 -13.734 1.00 1.78 H new ATOM 345 N VAL A 22 103.913 10.494 -9.948 1.00 1.54 N ATOM 346 CA VAL A 22 103.642 9.053 -9.664 1.00 1.54 C ATOM 347 C VAL A 22 102.171 8.857 -9.278 1.00 1.56 C ATOM 348 O VAL A 22 101.614 7.790 -9.448 1.00 1.60 O ATOM 349 CB VAL A 22 104.558 8.701 -8.489 1.00 1.48 C ATOM 350 CG1 VAL A 22 104.387 7.223 -8.127 1.00 1.44 C ATOM 351 CG2 VAL A 22 106.016 8.960 -8.881 1.00 1.48 C ATOM 0 H VAL A 22 104.432 10.988 -9.222 1.00 1.54 H new ATOM 0 HA VAL A 22 103.830 8.419 -10.530 1.00 1.54 H new ATOM 0 HB VAL A 22 104.294 9.319 -7.630 1.00 1.48 H new ATOM 0 HG11 VAL A 22 105.040 6.975 -7.290 1.00 1.44 H new ATOM 0 HG12 VAL A 22 103.351 7.035 -7.846 1.00 1.44 H new ATOM 0 HG13 VAL A 22 104.648 6.605 -8.986 1.00 1.44 H new ATOM 0 HG21 VAL A 22 106.668 8.709 -8.044 1.00 1.48 H new ATOM 0 HG22 VAL A 22 106.277 8.343 -9.741 1.00 1.48 H new ATOM 0 HG23 VAL A 22 106.143 10.012 -9.137 1.00 1.48 H new ATOM 361 N ARG A 23 101.541 9.877 -8.756 1.00 1.57 N ATOM 362 CA ARG A 23 100.108 9.748 -8.354 1.00 1.61 C ATOM 363 C ARG A 23 99.229 9.487 -9.581 1.00 1.67 C ATOM 364 O ARG A 23 98.436 8.564 -9.601 1.00 1.73 O ATOM 365 CB ARG A 23 99.752 11.092 -7.716 1.00 1.65 C ATOM 366 CG ARG A 23 100.176 11.093 -6.245 1.00 1.74 C ATOM 367 CD ARG A 23 99.147 10.321 -5.414 1.00 1.69 C ATOM 368 NE ARG A 23 98.936 11.155 -4.198 1.00 1.83 N ATOM 369 CZ ARG A 23 99.066 10.625 -3.013 1.00 1.67 C ATOM 370 NH1 ARG A 23 100.255 10.368 -2.541 1.00 1.61 N ATOM 371 NH2 ARG A 23 98.008 10.353 -2.300 1.00 1.96 N ATOM 0 H ARG A 23 101.956 10.794 -8.591 1.00 1.57 H new ATOM 0 HA ARG A 23 99.948 8.915 -7.669 1.00 1.61 H new ATOM 0 HB2 ARG A 23 100.250 11.902 -8.249 1.00 1.65 H new ATOM 0 HB3 ARG A 23 98.680 11.271 -7.796 1.00 1.65 H new ATOM 0 HG2 ARG A 23 101.160 10.637 -6.139 1.00 1.74 H new ATOM 0 HG3 ARG A 23 100.259 12.117 -5.880 1.00 1.74 H new ATOM 0 HD2 ARG A 23 98.217 10.183 -5.965 1.00 1.69 H new ATOM 0 HD3 ARG A 23 99.514 9.328 -5.154 1.00 1.69 H new ATOM 0 HE ARG A 23 98.690 12.140 -4.292 1.00 1.83 H new ATOM 0 HH11 ARG A 23 101.082 10.581 -3.098 1.00 1.61 H new ATOM 0 HH12 ARG A 23 100.357 9.954 -1.615 1.00 1.61 H new ATOM 0 HH21 ARG A 23 97.079 10.555 -2.669 1.00 1.96 H new ATOM 0 HH22 ARG A 23 98.110 9.939 -1.374 1.00 1.96 H new ATOM 385 N GLN A 24 99.356 10.294 -10.600 1.00 1.70 N ATOM 386 CA GLN A 24 98.520 10.095 -11.822 1.00 1.78 C ATOM 387 C GLN A 24 99.014 8.885 -12.622 1.00 1.83 C ATOM 388 O GLN A 24 98.287 8.320 -13.417 1.00 1.92 O ATOM 389 CB GLN A 24 98.692 11.382 -12.636 1.00 1.79 C ATOM 390 CG GLN A 24 97.318 11.908 -13.058 1.00 2.55 C ATOM 391 CD GLN A 24 97.438 12.636 -14.398 1.00 3.53 C ATOM 392 OE1 GLN A 24 98.510 13.071 -14.774 1.00 3.88 O ATOM 393 NE2 GLN A 24 96.375 12.791 -15.141 1.00 4.45 N ATOM 0 H GLN A 24 100.002 11.082 -10.640 1.00 1.70 H new ATOM 0 HA GLN A 24 97.476 9.902 -11.575 1.00 1.78 H new ATOM 0 HB2 GLN A 24 99.214 12.133 -12.043 1.00 1.79 H new ATOM 0 HB3 GLN A 24 99.305 11.189 -13.516 1.00 1.79 H new ATOM 0 HG2 GLN A 24 96.611 11.082 -13.143 1.00 2.55 H new ATOM 0 HG3 GLN A 24 96.927 12.585 -12.298 1.00 2.55 H new ATOM 0 HE21 GLN A 24 95.476 12.427 -14.827 1.00 4.45 H new ATOM 0 HE22 GLN A 24 96.444 13.276 -16.035 1.00 4.45 H new ATOM 402 N LEU A 25 100.242 8.484 -12.424 1.00 1.80 N ATOM 403 CA LEU A 25 100.776 7.311 -13.180 1.00 1.87 C ATOM 404 C LEU A 25 100.133 6.012 -12.682 1.00 1.92 C ATOM 405 O LEU A 25 99.445 5.329 -13.414 1.00 1.92 O ATOM 406 CB LEU A 25 102.280 7.306 -12.900 1.00 1.83 C ATOM 407 CG LEU A 25 103.046 7.119 -14.213 1.00 2.08 C ATOM 408 CD1 LEU A 25 104.550 7.198 -13.940 1.00 2.55 C ATOM 409 CD2 LEU A 25 102.708 5.750 -14.815 1.00 2.09 C ATOM 0 H LEU A 25 100.898 8.916 -11.773 1.00 1.80 H new ATOM 0 HA LEU A 25 100.559 7.380 -14.246 1.00 1.87 H new ATOM 0 HB2 LEU A 25 102.575 8.242 -12.425 1.00 1.83 H new ATOM 0 HB3 LEU A 25 102.528 6.504 -12.205 1.00 1.83 H new ATOM 0 HG LEU A 25 102.760 7.903 -14.914 1.00 2.08 H new ATOM 0 HD11 LEU A 25 105.097 7.065 -14.874 1.00 2.55 H new ATOM 0 HD12 LEU A 25 104.792 8.171 -13.513 1.00 2.55 H new ATOM 0 HD13 LEU A 25 104.834 6.414 -13.238 1.00 2.55 H new ATOM 0 HD21 LEU A 25 103.254 5.619 -15.749 1.00 2.09 H new ATOM 0 HD22 LEU A 25 102.992 4.964 -14.115 1.00 2.09 H new ATOM 0 HD23 LEU A 25 101.637 5.692 -15.009 1.00 2.09 H new ATOM 421 N LEU A 26 100.361 5.662 -11.442 1.00 2.00 N ATOM 422 CA LEU A 26 99.769 4.403 -10.896 1.00 2.07 C ATOM 423 C LEU A 26 98.244 4.416 -11.041 1.00 2.14 C ATOM 424 O LEU A 26 97.645 3.449 -11.469 1.00 2.23 O ATOM 425 CB LEU A 26 100.164 4.386 -9.418 1.00 2.01 C ATOM 426 CG LEU A 26 101.459 3.592 -9.242 1.00 2.14 C ATOM 427 CD1 LEU A 26 101.922 3.690 -7.787 1.00 2.71 C ATOM 428 CD2 LEU A 26 101.213 2.124 -9.603 1.00 1.68 C ATOM 0 H LEU A 26 100.931 6.193 -10.784 1.00 2.00 H new ATOM 0 HA LEU A 26 100.127 3.521 -11.427 1.00 2.07 H new ATOM 0 HB2 LEU A 26 100.298 5.405 -9.055 1.00 2.01 H new ATOM 0 HB3 LEU A 26 99.368 3.938 -8.823 1.00 2.01 H new ATOM 0 HG LEU A 26 102.228 4.001 -9.897 1.00 2.14 H new ATOM 0 HD11 LEU A 26 102.845 3.124 -7.660 1.00 2.71 H new ATOM 0 HD12 LEU A 26 102.098 4.735 -7.531 1.00 2.71 H new ATOM 0 HD13 LEU A 26 101.153 3.281 -7.132 1.00 2.71 H new ATOM 0 HD21 LEU A 26 102.136 1.559 -9.477 1.00 1.68 H new ATOM 0 HD22 LEU A 26 100.444 1.713 -8.949 1.00 1.68 H new ATOM 0 HD23 LEU A 26 100.883 2.055 -10.640 1.00 1.68 H new ATOM 440 N GLU A 27 97.614 5.503 -10.684 1.00 2.13 N ATOM 441 CA GLU A 27 96.127 5.576 -10.798 1.00 2.22 C ATOM 442 C GLU A 27 95.694 5.385 -12.254 1.00 2.30 C ATOM 443 O GLU A 27 94.669 4.796 -12.533 1.00 2.39 O ATOM 444 CB GLU A 27 95.759 6.978 -10.306 1.00 2.16 C ATOM 445 CG GLU A 27 95.429 6.926 -8.812 1.00 2.42 C ATOM 446 CD GLU A 27 96.121 8.086 -8.093 1.00 2.51 C ATOM 447 OE1 GLU A 27 95.565 9.172 -8.090 1.00 3.30 O ATOM 448 OE2 GLU A 27 97.196 7.869 -7.558 1.00 2.39 O ATOM 0 H GLU A 27 98.063 6.343 -10.319 1.00 2.13 H new ATOM 0 HA GLU A 27 95.631 4.798 -10.218 1.00 2.22 H new ATOM 0 HB2 GLU A 27 96.586 7.665 -10.483 1.00 2.16 H new ATOM 0 HB3 GLU A 27 94.904 7.358 -10.865 1.00 2.16 H new ATOM 0 HG2 GLU A 27 94.351 6.985 -8.665 1.00 2.42 H new ATOM 0 HG3 GLU A 27 95.756 5.976 -8.390 1.00 2.42 H new ATOM 455 N ALA A 28 96.470 5.877 -13.183 1.00 2.29 N ATOM 456 CA ALA A 28 96.105 5.722 -14.623 1.00 2.38 C ATOM 457 C ALA A 28 96.181 4.249 -15.030 1.00 2.58 C ATOM 458 O ALA A 28 95.184 3.631 -15.351 1.00 2.66 O ATOM 459 CB ALA A 28 97.143 6.543 -15.389 1.00 2.25 C ATOM 0 H ALA A 28 97.340 6.379 -13.008 1.00 2.29 H new ATOM 0 HA ALA A 28 95.089 6.058 -14.829 1.00 2.38 H new ATOM 0 HB1 ALA A 28 96.941 6.478 -16.458 1.00 2.25 H new ATOM 0 HB2 ALA A 28 97.089 7.584 -15.072 1.00 2.25 H new ATOM 0 HB3 ALA A 28 98.140 6.152 -15.184 1.00 2.25 H new ATOM 465 N GLY A 29 97.358 3.682 -15.019 1.00 2.74 N ATOM 466 CA GLY A 29 97.509 2.258 -15.401 1.00 2.97 C ATOM 467 C GLY A 29 98.986 1.868 -15.349 1.00 2.82 C ATOM 468 O GLY A 29 99.554 1.419 -16.326 1.00 2.88 O ATOM 0 H GLY A 29 98.225 4.153 -14.759 1.00 2.74 H new ATOM 0 HA2 GLY A 29 96.932 1.627 -14.726 1.00 2.97 H new ATOM 0 HA3 GLY A 29 97.115 2.096 -16.404 1.00 2.97 H new ATOM 472 N ALA A 30 99.614 2.034 -14.215 1.00 2.78 N ATOM 473 CA ALA A 30 101.057 1.672 -14.099 1.00 2.68 C ATOM 474 C ALA A 30 101.219 0.420 -13.234 1.00 2.60 C ATOM 475 O ALA A 30 100.631 0.304 -12.177 1.00 2.64 O ATOM 476 CB ALA A 30 101.716 2.879 -13.426 1.00 2.44 C ATOM 0 H ALA A 30 99.190 2.404 -13.364 1.00 2.78 H new ATOM 0 HA ALA A 30 101.507 1.450 -15.067 1.00 2.68 H new ATOM 0 HB1 ALA A 30 102.783 2.690 -13.305 1.00 2.44 H new ATOM 0 HB2 ALA A 30 101.572 3.764 -14.045 1.00 2.44 H new ATOM 0 HB3 ALA A 30 101.263 3.043 -12.448 1.00 2.44 H new ATOM 482 N ASP A 31 102.015 -0.519 -13.674 1.00 2.54 N ATOM 483 CA ASP A 31 102.217 -1.763 -12.876 1.00 2.48 C ATOM 484 C ASP A 31 103.012 -1.446 -11.602 1.00 2.34 C ATOM 485 O ASP A 31 104.066 -0.847 -11.670 1.00 2.39 O ATOM 486 CB ASP A 31 103.019 -2.694 -13.787 1.00 2.55 C ATOM 487 CG ASP A 31 102.532 -4.133 -13.605 1.00 2.92 C ATOM 488 OD1 ASP A 31 102.597 -4.622 -12.489 1.00 3.66 O ATOM 489 OD2 ASP A 31 102.104 -4.721 -14.583 1.00 2.75 O ATOM 0 H ASP A 31 102.534 -0.478 -14.551 1.00 2.54 H new ATOM 0 HA ASP A 31 101.274 -2.212 -12.564 1.00 2.48 H new ATOM 0 HB2 ASP A 31 102.904 -2.389 -14.827 1.00 2.55 H new ATOM 0 HB3 ASP A 31 104.081 -2.626 -13.550 1.00 2.55 H new ATOM 494 N PRO A 32 102.482 -1.856 -10.475 1.00 2.21 N ATOM 495 CA PRO A 32 103.167 -1.600 -9.185 1.00 2.09 C ATOM 496 C PRO A 32 104.399 -2.503 -9.041 1.00 1.97 C ATOM 497 O PRO A 32 105.270 -2.253 -8.229 1.00 2.01 O ATOM 498 CB PRO A 32 102.111 -1.952 -8.141 1.00 2.06 C ATOM 499 CG PRO A 32 101.196 -2.917 -8.824 1.00 2.12 C ATOM 500 CD PRO A 32 101.218 -2.584 -10.292 1.00 2.22 C ATOM 0 HA PRO A 32 103.529 -0.576 -9.090 1.00 2.09 H new ATOM 0 HB2 PRO A 32 102.565 -2.398 -7.256 1.00 2.06 H new ATOM 0 HB3 PRO A 32 101.572 -1.064 -7.810 1.00 2.06 H new ATOM 0 HG2 PRO A 32 101.524 -3.943 -8.657 1.00 2.12 H new ATOM 0 HG3 PRO A 32 100.185 -2.837 -8.426 1.00 2.12 H new ATOM 0 HD2 PRO A 32 101.184 -3.484 -10.906 1.00 2.22 H new ATOM 0 HD3 PRO A 32 100.361 -1.973 -10.575 1.00 2.22 H new ATOM 508 N ASN A 33 104.479 -3.549 -9.821 1.00 1.87 N ATOM 509 CA ASN A 33 105.654 -4.465 -9.729 1.00 1.83 C ATOM 510 C ASN A 33 106.556 -4.293 -10.953 1.00 1.98 C ATOM 511 O ASN A 33 107.232 -5.214 -11.370 1.00 2.07 O ATOM 512 CB ASN A 33 105.058 -5.873 -9.694 1.00 1.78 C ATOM 513 CG ASN A 33 104.179 -6.026 -8.452 1.00 1.70 C ATOM 514 OD1 ASN A 33 104.704 -5.848 -7.270 1.00 2.17 O flip ATOM 515 ND2 ASN A 33 103.002 -6.308 -8.556 1.00 1.45 N flip ATOM 0 H ASN A 33 103.781 -3.809 -10.518 1.00 1.87 H new ATOM 0 HA ASN A 33 106.268 -4.261 -8.852 1.00 1.83 H new ATOM 0 HB2 ASN A 33 104.469 -6.052 -10.593 1.00 1.78 H new ATOM 0 HB3 ASN A 33 105.855 -6.616 -9.682 1.00 1.78 H new ATOM 0 HD21 ASN A 33 102.591 -6.447 -9.479 1.00 1.45 H new ATOM 0 HD22 ASN A 33 102.425 -6.405 -7.720 1.00 1.45 H new ATOM 522 N ALA A 34 106.572 -3.122 -11.531 1.00 2.04 N ATOM 523 CA ALA A 34 107.432 -2.890 -12.729 1.00 2.19 C ATOM 524 C ALA A 34 108.875 -2.613 -12.297 1.00 2.14 C ATOM 525 O ALA A 34 109.189 -1.550 -11.797 1.00 2.12 O ATOM 526 CB ALA A 34 106.832 -1.664 -13.418 1.00 2.32 C ATOM 0 H ALA A 34 106.027 -2.316 -11.226 1.00 2.04 H new ATOM 0 HA ALA A 34 107.459 -3.755 -13.392 1.00 2.19 H new ATOM 0 HB1 ALA A 34 107.411 -1.429 -14.311 1.00 2.32 H new ATOM 0 HB2 ALA A 34 105.800 -1.873 -13.699 1.00 2.32 H new ATOM 0 HB3 ALA A 34 106.857 -0.815 -12.735 1.00 2.32 H new ATOM 532 N LEU A 35 109.753 -3.561 -12.487 1.00 2.22 N ATOM 533 CA LEU A 35 111.177 -3.357 -12.086 1.00 2.22 C ATOM 534 C LEU A 35 111.816 -2.251 -12.931 1.00 2.26 C ATOM 535 O LEU A 35 111.294 -1.859 -13.957 1.00 2.44 O ATOM 536 CB LEU A 35 111.863 -4.697 -12.356 1.00 2.32 C ATOM 537 CG LEU A 35 111.754 -5.587 -11.116 1.00 2.48 C ATOM 538 CD1 LEU A 35 112.247 -6.996 -11.453 1.00 2.98 C ATOM 539 CD2 LEU A 35 112.613 -5.000 -9.993 1.00 2.60 C ATOM 0 H LEU A 35 109.546 -4.469 -12.903 1.00 2.22 H new ATOM 0 HA LEU A 35 111.269 -3.053 -11.043 1.00 2.22 H new ATOM 0 HB2 LEU A 35 111.399 -5.189 -13.211 1.00 2.32 H new ATOM 0 HB3 LEU A 35 112.911 -4.536 -12.610 1.00 2.32 H new ATOM 0 HG LEU A 35 110.714 -5.635 -10.792 1.00 2.48 H new ATOM 0 HD11 LEU A 35 112.169 -7.630 -10.570 1.00 2.98 H new ATOM 0 HD12 LEU A 35 111.636 -7.413 -12.254 1.00 2.98 H new ATOM 0 HD13 LEU A 35 113.287 -6.950 -11.776 1.00 2.98 H new ATOM 0 HD21 LEU A 35 112.537 -5.632 -9.108 1.00 2.60 H new ATOM 0 HD22 LEU A 35 113.653 -4.953 -10.317 1.00 2.60 H new ATOM 0 HD23 LEU A 35 112.262 -3.996 -9.753 1.00 2.60 H new ATOM 551 N ASN A 36 112.945 -1.750 -12.508 1.00 2.23 N ATOM 552 CA ASN A 36 113.625 -0.671 -13.281 1.00 2.30 C ATOM 553 C ASN A 36 114.874 -1.225 -13.973 1.00 2.28 C ATOM 554 O ASN A 36 115.098 -2.419 -14.005 1.00 2.46 O ATOM 555 CB ASN A 36 114.012 0.380 -12.240 1.00 2.55 C ATOM 556 CG ASN A 36 113.046 1.563 -12.322 1.00 2.57 C ATOM 557 OD1 ASN A 36 111.857 1.381 -12.500 1.00 3.25 O ATOM 558 ND2 ASN A 36 113.509 2.778 -12.201 1.00 2.57 N ATOM 0 H ASN A 36 113.427 -2.042 -11.658 1.00 2.23 H new ATOM 0 HA ASN A 36 112.986 -0.256 -14.060 1.00 2.30 H new ATOM 0 HB2 ASN A 36 113.985 -0.056 -11.241 1.00 2.55 H new ATOM 0 HB3 ASN A 36 115.033 0.719 -12.413 1.00 2.55 H new ATOM 0 HD21 ASN A 36 112.873 3.574 -12.256 1.00 2.57 H new ATOM 0 HD22 ASN A 36 114.506 2.931 -12.052 1.00 2.57 H new ATOM 565 N ARG A 37 115.688 -0.365 -14.524 1.00 2.44 N ATOM 566 CA ARG A 37 116.925 -0.839 -15.212 1.00 2.45 C ATOM 567 C ARG A 37 118.036 -1.100 -14.190 1.00 2.39 C ATOM 568 O ARG A 37 118.996 -1.792 -14.470 1.00 2.82 O ATOM 569 CB ARG A 37 117.318 0.303 -16.151 1.00 2.58 C ATOM 570 CG ARG A 37 116.923 -0.053 -17.586 1.00 3.24 C ATOM 571 CD ARG A 37 117.322 1.089 -18.523 1.00 3.77 C ATOM 572 NE ARG A 37 117.480 0.452 -19.859 1.00 4.13 N ATOM 573 CZ ARG A 37 116.687 0.790 -20.838 1.00 4.15 C ATOM 574 NH1 ARG A 37 116.600 2.039 -21.206 1.00 4.06 N ATOM 575 NH2 ARG A 37 115.983 -0.122 -21.451 1.00 4.62 N ATOM 0 H ARG A 37 115.550 0.646 -14.528 1.00 2.44 H new ATOM 0 HA ARG A 37 116.765 -1.773 -15.750 1.00 2.45 H new ATOM 0 HB2 ARG A 37 116.824 1.225 -15.845 1.00 2.58 H new ATOM 0 HB3 ARG A 37 118.392 0.482 -16.092 1.00 2.58 H new ATOM 0 HG2 ARG A 37 117.414 -0.977 -17.891 1.00 3.24 H new ATOM 0 HG3 ARG A 37 115.849 -0.229 -17.646 1.00 3.24 H new ATOM 0 HD2 ARG A 37 116.559 1.867 -18.544 1.00 3.77 H new ATOM 0 HD3 ARG A 37 118.249 1.561 -18.198 1.00 3.77 H new ATOM 0 HE ARG A 37 118.207 -0.248 -20.009 1.00 4.13 H new ATOM 0 HH11 ARG A 37 117.152 2.751 -20.728 1.00 4.06 H new ATOM 0 HH12 ARG A 37 115.980 2.303 -21.972 1.00 4.06 H new ATOM 0 HH21 ARG A 37 116.053 -1.098 -21.164 1.00 4.62 H new ATOM 0 HH22 ARG A 37 115.363 0.142 -22.217 1.00 4.62 H new ATOM 589 N PHE A 38 117.915 -0.552 -13.010 1.00 2.21 N ATOM 590 CA PHE A 38 118.966 -0.769 -11.972 1.00 2.13 C ATOM 591 C PHE A 38 118.622 -1.988 -11.109 1.00 2.08 C ATOM 592 O PHE A 38 119.143 -2.154 -10.023 1.00 2.01 O ATOM 593 CB PHE A 38 118.954 0.504 -11.124 1.00 2.14 C ATOM 594 CG PHE A 38 119.277 1.696 -11.993 1.00 2.13 C ATOM 595 CD1 PHE A 38 120.466 1.724 -12.731 1.00 2.10 C ATOM 596 CD2 PHE A 38 118.385 2.773 -12.061 1.00 2.64 C ATOM 597 CE1 PHE A 38 120.764 2.829 -13.538 1.00 2.30 C ATOM 598 CE2 PHE A 38 118.683 3.879 -12.868 1.00 3.21 C ATOM 599 CZ PHE A 38 119.873 3.906 -13.605 1.00 2.89 C ATOM 0 H PHE A 38 117.134 0.036 -12.720 1.00 2.21 H new ATOM 0 HA PHE A 38 119.944 -0.959 -12.413 1.00 2.13 H new ATOM 0 HB2 PHE A 38 117.976 0.634 -10.660 1.00 2.14 H new ATOM 0 HB3 PHE A 38 119.682 0.422 -10.317 1.00 2.14 H new ATOM 0 HD1 PHE A 38 121.154 0.893 -12.678 1.00 2.10 H new ATOM 0 HD2 PHE A 38 117.468 2.751 -11.492 1.00 2.64 H new ATOM 0 HE1 PHE A 38 121.681 2.850 -14.108 1.00 2.30 H new ATOM 0 HE2 PHE A 38 117.995 4.710 -12.921 1.00 3.21 H new ATOM 0 HZ PHE A 38 120.104 4.759 -14.226 1.00 2.89 H new ATOM 609 N GLY A 39 117.752 -2.845 -11.582 1.00 2.17 N ATOM 610 CA GLY A 39 117.377 -4.052 -10.794 1.00 2.18 C ATOM 611 C GLY A 39 116.956 -3.640 -9.382 1.00 1.98 C ATOM 612 O GLY A 39 117.245 -4.318 -8.414 1.00 1.95 O ATOM 0 H GLY A 39 117.285 -2.757 -12.485 1.00 2.17 H new ATOM 0 HA2 GLY A 39 116.561 -4.580 -11.287 1.00 2.18 H new ATOM 0 HA3 GLY A 39 118.220 -4.742 -10.745 1.00 2.18 H new ATOM 616 N ARG A 40 116.279 -2.530 -9.257 1.00 1.88 N ATOM 617 CA ARG A 40 115.842 -2.068 -7.908 1.00 1.73 C ATOM 618 C ARG A 40 114.314 -2.007 -7.836 1.00 1.68 C ATOM 619 O ARG A 40 113.634 -1.999 -8.843 1.00 2.20 O ATOM 620 CB ARG A 40 116.441 -0.669 -7.754 1.00 1.71 C ATOM 621 CG ARG A 40 117.534 -0.692 -6.682 1.00 1.72 C ATOM 622 CD ARG A 40 117.822 0.737 -6.211 1.00 1.75 C ATOM 623 NE ARG A 40 119.273 0.951 -6.472 1.00 2.18 N ATOM 624 CZ ARG A 40 119.846 2.060 -6.093 1.00 2.39 C ATOM 625 NH1 ARG A 40 119.873 2.379 -4.827 1.00 2.66 N ATOM 626 NH2 ARG A 40 120.389 2.851 -6.977 1.00 2.77 N ATOM 0 H ARG A 40 116.010 -1.923 -10.031 1.00 1.88 H new ATOM 0 HA ARG A 40 116.170 -2.742 -7.117 1.00 1.73 H new ATOM 0 HB2 ARG A 40 116.857 -0.334 -8.704 1.00 1.71 H new ATOM 0 HB3 ARG A 40 115.662 0.042 -7.478 1.00 1.71 H new ATOM 0 HG2 ARG A 40 117.218 -1.307 -5.839 1.00 1.72 H new ATOM 0 HG3 ARG A 40 118.441 -1.143 -7.083 1.00 1.72 H new ATOM 0 HD2 ARG A 40 117.214 1.460 -6.754 1.00 1.75 H new ATOM 0 HD3 ARG A 40 117.591 0.857 -5.153 1.00 1.75 H new ATOM 0 HE ARG A 40 119.818 0.231 -6.947 1.00 2.18 H new ATOM 0 HH11 ARG A 40 119.447 1.761 -4.136 1.00 2.66 H new ATOM 0 HH12 ARG A 40 120.321 3.246 -4.529 1.00 2.66 H new ATOM 0 HH21 ARG A 40 120.366 2.603 -7.966 1.00 2.77 H new ATOM 0 HH22 ARG A 40 120.837 3.718 -6.679 1.00 2.77 H new ATOM 640 N ARG A 41 113.775 -1.956 -6.649 1.00 1.66 N ATOM 641 CA ARG A 41 112.291 -1.886 -6.499 1.00 1.57 C ATOM 642 C ARG A 41 111.812 -0.460 -6.801 1.00 1.51 C ATOM 643 O ARG A 41 112.618 0.439 -6.937 1.00 1.53 O ATOM 644 CB ARG A 41 112.027 -2.252 -5.032 1.00 1.48 C ATOM 645 CG ARG A 41 112.663 -3.607 -4.709 1.00 1.84 C ATOM 646 CD ARG A 41 112.056 -4.690 -5.606 1.00 1.73 C ATOM 647 NE ARG A 41 113.024 -4.846 -6.727 1.00 2.00 N ATOM 648 CZ ARG A 41 113.845 -5.861 -6.745 1.00 1.97 C ATOM 649 NH1 ARG A 41 113.424 -7.035 -7.127 1.00 2.04 N ATOM 650 NH2 ARG A 41 115.088 -5.700 -6.382 1.00 2.20 N ATOM 0 H ARG A 41 114.298 -1.960 -5.773 1.00 1.66 H new ATOM 0 HA ARG A 41 111.763 -2.553 -7.181 1.00 1.57 H new ATOM 0 HB2 ARG A 41 112.437 -1.483 -4.377 1.00 1.48 H new ATOM 0 HB3 ARG A 41 110.954 -2.291 -4.845 1.00 1.48 H new ATOM 0 HG2 ARG A 41 113.741 -3.559 -4.860 1.00 1.84 H new ATOM 0 HG3 ARG A 41 112.499 -3.856 -3.661 1.00 1.84 H new ATOM 0 HD2 ARG A 41 111.926 -5.626 -5.063 1.00 1.73 H new ATOM 0 HD3 ARG A 41 111.072 -4.395 -5.971 1.00 1.73 H new ATOM 0 HE ARG A 41 113.046 -4.160 -7.481 1.00 2.00 H new ATOM 0 HH11 ARG A 41 112.453 -7.161 -7.412 1.00 2.04 H new ATOM 0 HH12 ARG A 41 114.066 -7.827 -7.141 1.00 2.04 H new ATOM 0 HH21 ARG A 41 115.418 -4.782 -6.084 1.00 2.20 H new ATOM 0 HH22 ARG A 41 115.730 -6.492 -6.396 1.00 2.20 H new ATOM 664 N PRO A 42 110.516 -0.289 -6.893 1.00 1.48 N ATOM 665 CA PRO A 42 109.955 1.056 -7.177 1.00 1.49 C ATOM 666 C PRO A 42 110.199 2.001 -5.994 1.00 1.33 C ATOM 667 O PRO A 42 110.048 3.202 -6.105 1.00 1.57 O ATOM 668 CB PRO A 42 108.464 0.790 -7.381 1.00 1.56 C ATOM 669 CG PRO A 42 108.200 -0.480 -6.642 1.00 1.52 C ATOM 670 CD PRO A 42 109.459 -1.300 -6.741 1.00 1.51 C ATOM 0 HA PRO A 42 110.412 1.539 -8.041 1.00 1.49 H new ATOM 0 HB2 PRO A 42 107.859 1.608 -6.991 1.00 1.56 H new ATOM 0 HB3 PRO A 42 108.221 0.690 -8.439 1.00 1.56 H new ATOM 0 HG2 PRO A 42 107.949 -0.278 -5.601 1.00 1.52 H new ATOM 0 HG3 PRO A 42 107.354 -1.013 -7.076 1.00 1.52 H new ATOM 0 HD2 PRO A 42 109.612 -1.910 -5.851 1.00 1.51 H new ATOM 0 HD3 PRO A 42 109.429 -1.980 -7.592 1.00 1.51 H new ATOM 678 N ILE A 43 110.589 1.468 -4.865 1.00 1.31 N ATOM 679 CA ILE A 43 110.856 2.333 -3.679 1.00 1.12 C ATOM 680 C ILE A 43 112.362 2.367 -3.387 1.00 1.03 C ATOM 681 O ILE A 43 112.850 3.239 -2.696 1.00 0.97 O ATOM 682 CB ILE A 43 110.091 1.679 -2.525 1.00 1.08 C ATOM 683 CG1 ILE A 43 108.603 1.599 -2.883 1.00 1.26 C ATOM 684 CG2 ILE A 43 110.263 2.514 -1.254 1.00 0.87 C ATOM 685 CD1 ILE A 43 107.851 0.842 -1.786 1.00 1.25 C ATOM 0 H ILE A 43 110.734 0.470 -4.714 1.00 1.31 H new ATOM 0 HA ILE A 43 110.539 3.364 -3.835 1.00 1.12 H new ATOM 0 HB ILE A 43 110.482 0.676 -2.354 1.00 1.08 H new ATOM 0 HG12 ILE A 43 108.191 2.602 -2.995 1.00 1.26 H new ATOM 0 HG13 ILE A 43 108.476 1.094 -3.840 1.00 1.26 H new ATOM 0 HG21 ILE A 43 109.717 2.046 -0.435 1.00 0.87 H new ATOM 0 HG22 ILE A 43 111.321 2.574 -0.998 1.00 0.87 H new ATOM 0 HG23 ILE A 43 109.873 3.518 -1.423 1.00 0.87 H new ATOM 0 HD11 ILE A 43 106.793 0.786 -2.042 1.00 1.25 H new ATOM 0 HD12 ILE A 43 108.256 -0.166 -1.696 1.00 1.25 H new ATOM 0 HD13 ILE A 43 107.967 1.366 -0.837 1.00 1.25 H new ATOM 697 N GLN A 44 113.102 1.427 -3.915 1.00 1.08 N ATOM 698 CA GLN A 44 114.577 1.414 -3.674 1.00 1.04 C ATOM 699 C GLN A 44 115.270 2.455 -4.562 1.00 1.11 C ATOM 700 O GLN A 44 116.463 2.669 -4.461 1.00 1.10 O ATOM 701 CB GLN A 44 115.031 0.001 -4.054 1.00 1.16 C ATOM 702 CG GLN A 44 115.622 -0.698 -2.828 1.00 1.42 C ATOM 703 CD GLN A 44 116.324 -1.986 -3.262 1.00 1.39 C ATOM 704 OE1 GLN A 44 115.996 -2.555 -4.285 1.00 1.59 O ATOM 705 NE2 GLN A 44 117.283 -2.473 -2.524 1.00 2.02 N ATOM 0 H GLN A 44 112.751 0.670 -4.501 1.00 1.08 H new ATOM 0 HA GLN A 44 114.826 1.659 -2.642 1.00 1.04 H new ATOM 0 HB2 GLN A 44 114.187 -0.571 -4.439 1.00 1.16 H new ATOM 0 HB3 GLN A 44 115.774 0.049 -4.850 1.00 1.16 H new ATOM 0 HG2 GLN A 44 116.329 -0.038 -2.326 1.00 1.42 H new ATOM 0 HG3 GLN A 44 114.833 -0.925 -2.111 1.00 1.42 H new ATOM 0 HE21 GLN A 44 117.558 -1.996 -1.666 1.00 2.02 H new ATOM 0 HE22 GLN A 44 117.757 -3.331 -2.805 1.00 2.02 H new ATOM 714 N VAL A 45 114.536 3.100 -5.432 1.00 1.26 N ATOM 715 CA VAL A 45 115.160 4.121 -6.324 1.00 1.34 C ATOM 716 C VAL A 45 114.516 5.497 -6.115 1.00 1.29 C ATOM 717 O VAL A 45 114.963 6.484 -6.667 1.00 1.47 O ATOM 718 CB VAL A 45 114.903 3.614 -7.747 1.00 1.50 C ATOM 719 CG1 VAL A 45 113.395 3.572 -8.024 1.00 1.52 C ATOM 720 CG2 VAL A 45 115.584 4.549 -8.754 1.00 1.59 C ATOM 0 H VAL A 45 113.534 2.964 -5.563 1.00 1.26 H new ATOM 0 HA VAL A 45 116.223 4.245 -6.118 1.00 1.34 H new ATOM 0 HB VAL A 45 115.312 2.609 -7.848 1.00 1.50 H new ATOM 0 HG11 VAL A 45 113.221 3.211 -9.038 1.00 1.52 H new ATOM 0 HG12 VAL A 45 112.913 2.902 -7.312 1.00 1.52 H new ATOM 0 HG13 VAL A 45 112.978 4.574 -7.919 1.00 1.52 H new ATOM 0 HG21 VAL A 45 115.401 4.189 -9.766 1.00 1.59 H new ATOM 0 HG22 VAL A 45 115.178 5.555 -8.648 1.00 1.59 H new ATOM 0 HG23 VAL A 45 116.657 4.569 -8.564 1.00 1.59 H new ATOM 730 N MET A 46 113.472 5.578 -5.329 1.00 1.20 N ATOM 731 CA MET A 46 112.821 6.902 -5.106 1.00 1.19 C ATOM 732 C MET A 46 113.739 7.810 -4.280 1.00 1.16 C ATOM 733 O MET A 46 114.667 7.354 -3.642 1.00 1.80 O ATOM 734 CB MET A 46 111.512 6.601 -4.362 1.00 1.21 C ATOM 735 CG MET A 46 111.800 6.046 -2.963 1.00 1.04 C ATOM 736 SD MET A 46 110.746 6.885 -1.751 1.00 0.94 S ATOM 737 CE MET A 46 110.751 5.580 -0.499 1.00 0.80 C ATOM 0 H MET A 46 113.047 4.792 -4.837 1.00 1.20 H new ATOM 0 HA MET A 46 112.626 7.427 -6.041 1.00 1.19 H new ATOM 0 HB2 MET A 46 110.916 7.510 -4.282 1.00 1.21 H new ATOM 0 HB3 MET A 46 110.922 5.881 -4.930 1.00 1.21 H new ATOM 0 HG2 MET A 46 111.614 4.972 -2.941 1.00 1.04 H new ATOM 0 HG3 MET A 46 112.850 6.193 -2.711 1.00 1.04 H new ATOM 0 HE1 MET A 46 109.764 5.120 -0.449 1.00 0.80 H new ATOM 0 HE2 MET A 46 111.490 4.824 -0.764 1.00 0.80 H new ATOM 0 HE3 MET A 46 111.002 6.008 0.472 1.00 0.80 H new ATOM 747 N MET A 47 113.488 9.093 -4.293 1.00 1.08 N ATOM 748 CA MET A 47 114.350 10.038 -3.517 1.00 1.10 C ATOM 749 C MET A 47 114.430 9.620 -2.044 1.00 1.08 C ATOM 750 O MET A 47 115.327 10.019 -1.328 1.00 1.59 O ATOM 751 CB MET A 47 113.662 11.399 -3.647 1.00 1.13 C ATOM 752 CG MET A 47 114.708 12.514 -3.539 1.00 1.63 C ATOM 753 SD MET A 47 114.550 13.345 -1.938 1.00 1.51 S ATOM 754 CE MET A 47 112.918 14.075 -2.222 1.00 1.37 C ATOM 0 H MET A 47 112.723 9.529 -4.808 1.00 1.08 H new ATOM 0 HA MET A 47 115.373 10.054 -3.892 1.00 1.10 H new ATOM 0 HB2 MET A 47 113.142 11.465 -4.603 1.00 1.13 H new ATOM 0 HB3 MET A 47 112.910 11.514 -2.866 1.00 1.13 H new ATOM 0 HG2 MET A 47 115.710 12.098 -3.646 1.00 1.63 H new ATOM 0 HG3 MET A 47 114.573 13.232 -4.348 1.00 1.63 H new ATOM 0 HE1 MET A 47 112.854 15.034 -1.708 1.00 1.37 H new ATOM 0 HE2 MET A 47 112.768 14.226 -3.291 1.00 1.37 H new ATOM 0 HE3 MET A 47 112.148 13.405 -1.838 1.00 1.37 H new ATOM 764 N MET A 48 113.500 8.823 -1.587 1.00 0.97 N ATOM 765 CA MET A 48 113.520 8.381 -0.157 1.00 0.89 C ATOM 766 C MET A 48 113.410 9.594 0.772 1.00 0.91 C ATOM 767 O MET A 48 113.750 9.528 1.936 1.00 1.02 O ATOM 768 CB MET A 48 114.866 7.672 0.034 1.00 0.95 C ATOM 769 CG MET A 48 114.628 6.248 0.544 1.00 0.73 C ATOM 770 SD MET A 48 114.438 5.127 -0.864 1.00 1.36 S ATOM 771 CE MET A 48 113.890 3.679 0.073 1.00 0.69 C ATOM 0 H MET A 48 112.726 8.458 -2.141 1.00 0.97 H new ATOM 0 HA MET A 48 112.684 7.722 0.079 1.00 0.89 H new ATOM 0 HB2 MET A 48 115.411 7.645 -0.909 1.00 0.95 H new ATOM 0 HB3 MET A 48 115.482 8.225 0.743 1.00 0.95 H new ATOM 0 HG2 MET A 48 115.464 5.929 1.167 1.00 0.73 H new ATOM 0 HG3 MET A 48 113.736 6.219 1.169 1.00 0.73 H new ATOM 0 HE1 MET A 48 113.796 2.826 -0.598 1.00 0.69 H new ATOM 0 HE2 MET A 48 114.620 3.451 0.850 1.00 0.69 H new ATOM 0 HE3 MET A 48 112.924 3.887 0.533 1.00 0.69 H new ATOM 781 N GLY A 49 112.933 10.700 0.264 1.00 1.01 N ATOM 782 CA GLY A 49 112.793 11.916 1.115 1.00 1.06 C ATOM 783 C GLY A 49 111.346 12.410 1.060 1.00 1.08 C ATOM 784 O GLY A 49 111.067 13.571 1.284 1.00 1.25 O ATOM 0 H GLY A 49 112.634 10.813 -0.705 1.00 1.01 H new ATOM 0 HA2 GLY A 49 113.072 11.688 2.144 1.00 1.06 H new ATOM 0 HA3 GLY A 49 113.469 12.697 0.767 1.00 1.06 H new ATOM 788 N SER A 50 110.423 11.534 0.762 1.00 0.98 N ATOM 789 CA SER A 50 108.991 11.945 0.690 1.00 1.03 C ATOM 790 C SER A 50 108.085 10.741 0.957 1.00 0.92 C ATOM 791 O SER A 50 107.946 9.863 0.128 1.00 0.90 O ATOM 792 CB SER A 50 108.796 12.459 -0.735 1.00 1.14 C ATOM 793 OG SER A 50 107.550 13.137 -0.824 1.00 1.72 O ATOM 0 H SER A 50 110.600 10.549 0.565 1.00 0.98 H new ATOM 0 HA SER A 50 108.740 12.703 1.432 1.00 1.03 H new ATOM 0 HB2 SER A 50 109.609 13.132 -1.005 1.00 1.14 H new ATOM 0 HB3 SER A 50 108.822 11.628 -1.440 1.00 1.14 H new ATOM 0 HG SER A 50 107.423 13.469 -1.737 1.00 1.72 H new ATOM 799 N ALA A 51 107.470 10.694 2.108 1.00 0.96 N ATOM 800 CA ALA A 51 106.572 9.545 2.432 1.00 0.92 C ATOM 801 C ALA A 51 105.445 9.443 1.401 1.00 1.00 C ATOM 802 O ALA A 51 104.892 8.384 1.176 1.00 1.02 O ATOM 803 CB ALA A 51 106.003 9.864 3.814 1.00 1.05 C ATOM 0 H ALA A 51 107.550 11.401 2.839 1.00 0.96 H new ATOM 0 HA ALA A 51 107.102 8.593 2.417 1.00 0.92 H new ATOM 0 HB1 ALA A 51 105.331 9.064 4.124 1.00 1.05 H new ATOM 0 HB2 ALA A 51 106.819 9.951 4.532 1.00 1.05 H new ATOM 0 HB3 ALA A 51 105.453 10.804 3.773 1.00 1.05 H new ATOM 809 N GLN A 52 105.099 10.536 0.773 1.00 1.09 N ATOM 810 CA GLN A 52 104.005 10.503 -0.242 1.00 1.21 C ATOM 811 C GLN A 52 104.344 9.504 -1.352 1.00 1.15 C ATOM 812 O GLN A 52 103.469 8.917 -1.958 1.00 1.25 O ATOM 813 CB GLN A 52 103.933 11.924 -0.803 1.00 1.34 C ATOM 814 CG GLN A 52 102.677 12.625 -0.282 1.00 1.30 C ATOM 815 CD GLN A 52 102.970 13.264 1.076 1.00 1.80 C ATOM 816 OE1 GLN A 52 103.348 12.510 2.070 1.00 2.34 O flip ATOM 817 NE2 GLN A 52 102.852 14.462 1.234 1.00 2.53 N flip ATOM 0 H GLN A 52 105.527 11.450 0.919 1.00 1.09 H new ATOM 0 HA GLN A 52 103.054 10.190 0.189 1.00 1.21 H new ATOM 0 HB2 GLN A 52 104.821 12.485 -0.511 1.00 1.34 H new ATOM 0 HB3 GLN A 52 103.918 11.894 -1.892 1.00 1.34 H new ATOM 0 HG2 GLN A 52 102.353 13.387 -0.991 1.00 1.30 H new ATOM 0 HG3 GLN A 52 101.861 11.909 -0.189 1.00 1.30 H new ATOM 0 HE21 GLN A 52 102.556 15.052 0.456 1.00 2.53 H new ATOM 0 HE22 GLN A 52 103.049 14.878 2.144 1.00 2.53 H new ATOM 826 N VAL A 53 105.607 9.308 -1.621 1.00 1.05 N ATOM 827 CA VAL A 53 106.004 8.350 -2.694 1.00 1.08 C ATOM 828 C VAL A 53 106.047 6.919 -2.147 1.00 1.00 C ATOM 829 O VAL A 53 105.518 6.000 -2.742 1.00 1.02 O ATOM 830 CB VAL A 53 107.402 8.795 -3.129 1.00 1.08 C ATOM 831 CG1 VAL A 53 107.850 7.965 -4.332 1.00 1.20 C ATOM 832 CG2 VAL A 53 107.377 10.274 -3.521 1.00 1.19 C ATOM 0 H VAL A 53 106.381 9.770 -1.144 1.00 1.05 H new ATOM 0 HA VAL A 53 105.296 8.351 -3.523 1.00 1.08 H new ATOM 0 HB VAL A 53 108.096 8.650 -2.301 1.00 1.08 H new ATOM 0 HG11 VAL A 53 108.846 8.282 -4.642 1.00 1.20 H new ATOM 0 HG12 VAL A 53 107.874 6.910 -4.058 1.00 1.20 H new ATOM 0 HG13 VAL A 53 107.150 8.110 -5.155 1.00 1.20 H new ATOM 0 HG21 VAL A 53 108.375 10.585 -3.830 1.00 1.19 H new ATOM 0 HG22 VAL A 53 106.680 10.420 -4.346 1.00 1.19 H new ATOM 0 HG23 VAL A 53 107.059 10.871 -2.667 1.00 1.19 H new ATOM 842 N ALA A 54 106.679 6.724 -1.020 1.00 0.97 N ATOM 843 CA ALA A 54 106.766 5.351 -0.435 1.00 0.93 C ATOM 844 C ALA A 54 105.370 4.816 -0.102 1.00 1.00 C ATOM 845 O ALA A 54 105.095 3.642 -0.257 1.00 1.00 O ATOM 846 CB ALA A 54 107.595 5.514 0.840 1.00 0.86 C ATOM 0 H ALA A 54 107.139 7.455 -0.478 1.00 0.97 H new ATOM 0 HA ALA A 54 107.216 4.641 -1.129 1.00 0.93 H new ATOM 0 HB1 ALA A 54 107.704 4.546 1.329 1.00 0.86 H new ATOM 0 HB2 ALA A 54 108.580 5.905 0.586 1.00 0.86 H new ATOM 0 HB3 ALA A 54 107.092 6.207 1.515 1.00 0.86 H new ATOM 852 N GLU A 55 104.489 5.662 0.360 1.00 1.12 N ATOM 853 CA GLU A 55 103.114 5.194 0.708 1.00 1.21 C ATOM 854 C GLU A 55 102.294 4.949 -0.563 1.00 1.31 C ATOM 855 O GLU A 55 101.460 4.067 -0.612 1.00 1.38 O ATOM 856 CB GLU A 55 102.502 6.329 1.530 1.00 1.37 C ATOM 857 CG GLU A 55 101.106 5.917 2.007 1.00 1.73 C ATOM 858 CD GLU A 55 100.775 6.647 3.309 1.00 2.12 C ATOM 859 OE1 GLU A 55 101.028 7.838 3.378 1.00 2.39 O ATOM 860 OE2 GLU A 55 100.273 6.003 4.215 1.00 2.74 O ATOM 0 H GLU A 55 104.661 6.656 0.512 1.00 1.12 H new ATOM 0 HA GLU A 55 103.129 4.254 1.259 1.00 1.21 H new ATOM 0 HB2 GLU A 55 103.138 6.557 2.385 1.00 1.37 H new ATOM 0 HB3 GLU A 55 102.440 7.236 0.928 1.00 1.37 H new ATOM 0 HG2 GLU A 55 100.364 6.157 1.245 1.00 1.73 H new ATOM 0 HG3 GLU A 55 101.067 4.839 2.162 1.00 1.73 H new ATOM 867 N LEU A 56 102.520 5.727 -1.588 1.00 1.34 N ATOM 868 CA LEU A 56 101.749 5.541 -2.855 1.00 1.46 C ATOM 869 C LEU A 56 101.921 4.116 -3.390 1.00 1.49 C ATOM 870 O LEU A 56 100.977 3.354 -3.477 1.00 1.63 O ATOM 871 CB LEU A 56 102.350 6.549 -3.836 1.00 1.46 C ATOM 872 CG LEU A 56 101.297 6.965 -4.863 1.00 1.60 C ATOM 873 CD1 LEU A 56 101.903 7.990 -5.824 1.00 2.00 C ATOM 874 CD2 LEU A 56 100.837 5.738 -5.656 1.00 2.10 C ATOM 0 H LEU A 56 103.204 6.483 -1.604 1.00 1.34 H new ATOM 0 HA LEU A 56 100.680 5.695 -2.705 1.00 1.46 H new ATOM 0 HB2 LEU A 56 102.710 7.425 -3.296 1.00 1.46 H new ATOM 0 HB3 LEU A 56 103.210 6.110 -4.341 1.00 1.46 H new ATOM 0 HG LEU A 56 100.443 7.404 -4.347 1.00 1.60 H new ATOM 0 HD11 LEU A 56 101.154 8.288 -6.558 1.00 2.00 H new ATOM 0 HD12 LEU A 56 102.230 8.865 -5.263 1.00 2.00 H new ATOM 0 HD13 LEU A 56 102.757 7.547 -6.337 1.00 2.00 H new ATOM 0 HD21 LEU A 56 100.086 6.038 -6.387 1.00 2.10 H new ATOM 0 HD22 LEU A 56 101.690 5.297 -6.172 1.00 2.10 H new ATOM 0 HD23 LEU A 56 100.407 5.005 -4.974 1.00 2.10 H new ATOM 886 N LEU A 57 103.121 3.757 -3.762 1.00 1.40 N ATOM 887 CA LEU A 57 103.363 2.390 -4.307 1.00 1.49 C ATOM 888 C LEU A 57 103.022 1.319 -3.267 1.00 1.46 C ATOM 889 O LEU A 57 102.463 0.288 -3.589 1.00 1.57 O ATOM 890 CB LEU A 57 104.855 2.357 -4.638 1.00 1.37 C ATOM 891 CG LEU A 57 105.164 3.408 -5.705 1.00 1.49 C ATOM 892 CD1 LEU A 57 106.575 3.956 -5.490 1.00 1.30 C ATOM 893 CD2 LEU A 57 105.073 2.766 -7.091 1.00 1.90 C ATOM 0 H LEU A 57 103.946 4.354 -3.711 1.00 1.40 H new ATOM 0 HA LEU A 57 102.741 2.184 -5.178 1.00 1.49 H new ATOM 0 HB2 LEU A 57 105.442 2.551 -3.740 1.00 1.37 H new ATOM 0 HB3 LEU A 57 105.137 1.367 -4.995 1.00 1.37 H new ATOM 0 HG LEU A 57 104.444 4.223 -5.632 1.00 1.49 H new ATOM 0 HD11 LEU A 57 106.794 4.705 -6.251 1.00 1.30 H new ATOM 0 HD12 LEU A 57 106.642 4.412 -4.502 1.00 1.30 H new ATOM 0 HD13 LEU A 57 107.296 3.142 -5.563 1.00 1.30 H new ATOM 0 HD21 LEU A 57 105.293 3.513 -7.853 1.00 1.90 H new ATOM 0 HD22 LEU A 57 105.794 1.952 -7.163 1.00 1.90 H new ATOM 0 HD23 LEU A 57 104.067 2.375 -7.246 1.00 1.90 H new ATOM 905 N LEU A 58 103.360 1.547 -2.027 1.00 1.36 N ATOM 906 CA LEU A 58 103.063 0.532 -0.973 1.00 1.37 C ATOM 907 C LEU A 58 101.560 0.242 -0.907 1.00 1.46 C ATOM 908 O LEU A 58 101.133 -0.887 -1.050 1.00 1.35 O ATOM 909 CB LEU A 58 103.541 1.156 0.337 1.00 1.32 C ATOM 910 CG LEU A 58 103.376 0.140 1.472 1.00 1.62 C ATOM 911 CD1 LEU A 58 104.734 -0.128 2.123 1.00 1.59 C ATOM 912 CD2 LEU A 58 102.409 0.696 2.521 1.00 2.12 C ATOM 0 H LEU A 58 103.828 2.391 -1.697 1.00 1.36 H new ATOM 0 HA LEU A 58 103.558 -0.417 -1.178 1.00 1.37 H new ATOM 0 HB2 LEU A 58 104.585 1.455 0.251 1.00 1.32 H new ATOM 0 HB3 LEU A 58 102.968 2.057 0.554 1.00 1.32 H new ATOM 0 HG LEU A 58 102.978 -0.791 1.067 1.00 1.62 H new ATOM 0 HD11 LEU A 58 104.614 -0.851 2.930 1.00 1.59 H new ATOM 0 HD12 LEU A 58 105.422 -0.527 1.378 1.00 1.59 H new ATOM 0 HD13 LEU A 58 105.134 0.802 2.526 1.00 1.59 H new ATOM 0 HD21 LEU A 58 102.292 -0.027 3.328 1.00 2.12 H new ATOM 0 HD22 LEU A 58 102.806 1.628 2.924 1.00 2.12 H new ATOM 0 HD23 LEU A 58 101.440 0.884 2.059 1.00 2.12 H new ATOM 924 N LEU A 59 100.756 1.249 -0.684 1.00 1.71 N ATOM 925 CA LEU A 59 99.281 1.022 -0.600 1.00 1.84 C ATOM 926 C LEU A 59 98.785 0.283 -1.852 1.00 1.89 C ATOM 927 O LEU A 59 97.789 -0.414 -1.819 1.00 1.93 O ATOM 928 CB LEU A 59 98.667 2.431 -0.468 1.00 2.07 C ATOM 929 CG LEU A 59 98.049 2.899 -1.793 1.00 1.69 C ATOM 930 CD1 LEU A 59 96.627 2.347 -1.917 1.00 1.38 C ATOM 931 CD2 LEU A 59 97.999 4.429 -1.813 1.00 2.08 C ATOM 0 H LEU A 59 101.055 2.216 -0.557 1.00 1.71 H new ATOM 0 HA LEU A 59 98.995 0.394 0.244 1.00 1.84 H new ATOM 0 HB2 LEU A 59 97.903 2.425 0.310 1.00 2.07 H new ATOM 0 HB3 LEU A 59 99.436 3.137 -0.154 1.00 2.07 H new ATOM 0 HG LEU A 59 98.654 2.538 -2.625 1.00 1.69 H new ATOM 0 HD11 LEU A 59 96.188 2.679 -2.858 1.00 1.38 H new ATOM 0 HD12 LEU A 59 96.656 1.258 -1.895 1.00 1.38 H new ATOM 0 HD13 LEU A 59 96.022 2.710 -1.086 1.00 1.38 H new ATOM 0 HD21 LEU A 59 97.561 4.766 -2.752 1.00 2.08 H new ATOM 0 HD22 LEU A 59 97.391 4.784 -0.981 1.00 2.08 H new ATOM 0 HD23 LEU A 59 99.009 4.827 -1.720 1.00 2.08 H new ATOM 943 N HIS A 60 99.477 0.428 -2.952 1.00 1.90 N ATOM 944 CA HIS A 60 99.051 -0.266 -4.201 1.00 1.98 C ATOM 945 C HIS A 60 99.590 -1.701 -4.215 1.00 1.93 C ATOM 946 O HIS A 60 98.857 -2.649 -4.017 1.00 2.31 O ATOM 947 CB HIS A 60 99.663 0.551 -5.340 1.00 2.02 C ATOM 948 CG HIS A 60 98.659 1.557 -5.833 1.00 2.10 C ATOM 949 ND1 HIS A 60 98.775 2.172 -7.069 1.00 2.46 N ATOM 950 CD2 HIS A 60 97.515 2.064 -5.268 1.00 2.31 C ATOM 951 CE1 HIS A 60 97.728 3.007 -7.208 1.00 2.38 C ATOM 952 NE2 HIS A 60 96.929 2.980 -6.138 1.00 2.27 N ATOM 0 H HIS A 60 100.319 0.997 -3.038 1.00 1.90 H new ATOM 0 HA HIS A 60 97.967 -0.332 -4.289 1.00 1.98 H new ATOM 0 HB2 HIS A 60 100.563 1.059 -4.994 1.00 2.02 H new ATOM 0 HB3 HIS A 60 99.963 -0.109 -6.154 1.00 2.02 H new ATOM 0 HD2 HIS A 60 97.128 1.794 -4.297 1.00 2.31 H new ATOM 0 HE1 HIS A 60 97.555 3.623 -8.078 1.00 2.38 H new ATOM 0 HE2 HIS A 60 96.073 3.515 -5.990 1.00 2.27 H new ATOM 960 N GLY A 61 100.866 -1.864 -4.446 1.00 1.57 N ATOM 961 CA GLY A 61 101.451 -3.227 -4.472 1.00 1.55 C ATOM 962 C GLY A 61 102.917 -3.152 -4.903 1.00 1.53 C ATOM 963 O GLY A 61 103.349 -3.865 -5.788 1.00 1.57 O ATOM 0 H GLY A 61 101.527 -1.106 -4.618 1.00 1.57 H new ATOM 0 HA2 GLY A 61 101.375 -3.684 -3.486 1.00 1.55 H new ATOM 0 HA3 GLY A 61 100.892 -3.860 -5.161 1.00 1.55 H new ATOM 967 N ALA A 62 103.686 -2.295 -4.285 1.00 1.49 N ATOM 968 CA ALA A 62 105.127 -2.177 -4.661 1.00 1.50 C ATOM 969 C ALA A 62 105.896 -3.419 -4.202 1.00 1.48 C ATOM 970 O ALA A 62 105.316 -4.449 -3.916 1.00 1.54 O ATOM 971 CB ALA A 62 105.632 -0.932 -3.929 1.00 1.50 C ATOM 0 H ALA A 62 103.380 -1.672 -3.537 1.00 1.49 H new ATOM 0 HA ALA A 62 105.266 -2.097 -5.739 1.00 1.50 H new ATOM 0 HB1 ALA A 62 106.687 -0.779 -4.156 1.00 1.50 H new ATOM 0 HB2 ALA A 62 105.061 -0.062 -4.254 1.00 1.50 H new ATOM 0 HB3 ALA A 62 105.508 -1.067 -2.854 1.00 1.50 H new ATOM 977 N GLU A 63 107.197 -3.328 -4.127 1.00 1.43 N ATOM 978 CA GLU A 63 108.005 -4.503 -3.686 1.00 1.42 C ATOM 979 C GLU A 63 108.835 -4.140 -2.450 1.00 1.30 C ATOM 980 O GLU A 63 110.025 -3.913 -2.547 1.00 1.28 O ATOM 981 CB GLU A 63 108.917 -4.826 -4.872 1.00 1.51 C ATOM 982 CG GLU A 63 108.196 -5.777 -5.832 1.00 1.69 C ATOM 983 CD GLU A 63 108.114 -5.140 -7.221 1.00 1.67 C ATOM 984 OE1 GLU A 63 107.889 -3.943 -7.290 1.00 1.77 O ATOM 985 OE2 GLU A 63 108.277 -5.860 -8.192 1.00 2.16 O ATOM 0 H GLU A 63 107.735 -2.491 -4.352 1.00 1.43 H new ATOM 0 HA GLU A 63 107.381 -5.353 -3.410 1.00 1.42 H new ATOM 0 HB2 GLU A 63 109.193 -3.909 -5.392 1.00 1.51 H new ATOM 0 HB3 GLU A 63 109.842 -5.282 -4.519 1.00 1.51 H new ATOM 0 HG2 GLU A 63 108.728 -6.727 -5.887 1.00 1.69 H new ATOM 0 HG3 GLU A 63 107.194 -5.994 -5.461 1.00 1.69 H new ATOM 992 N PRO A 64 108.176 -4.096 -1.321 1.00 1.24 N ATOM 993 CA PRO A 64 108.864 -3.756 -0.054 1.00 1.14 C ATOM 994 C PRO A 64 109.653 -4.960 0.470 1.00 1.13 C ATOM 995 O PRO A 64 110.608 -4.813 1.209 1.00 1.12 O ATOM 996 CB PRO A 64 107.720 -3.405 0.892 1.00 1.14 C ATOM 997 CG PRO A 64 106.524 -4.132 0.356 1.00 1.23 C ATOM 998 CD PRO A 64 106.745 -4.355 -1.120 1.00 1.29 C ATOM 0 HA PRO A 64 109.585 -2.946 -0.164 1.00 1.14 H new ATOM 0 HB2 PRO A 64 107.944 -3.716 1.912 1.00 1.14 H new ATOM 0 HB3 PRO A 64 107.547 -2.329 0.917 1.00 1.14 H new ATOM 0 HG2 PRO A 64 106.393 -5.084 0.871 1.00 1.23 H new ATOM 0 HG3 PRO A 64 105.617 -3.551 0.523 1.00 1.23 H new ATOM 0 HD2 PRO A 64 106.481 -5.371 -1.412 1.00 1.29 H new ATOM 0 HD3 PRO A 64 106.132 -3.682 -1.719 1.00 1.29 H new ATOM 1006 N ASN A 65 109.262 -6.150 0.097 1.00 1.18 N ATOM 1007 CA ASN A 65 109.988 -7.363 0.576 1.00 1.20 C ATOM 1008 C ASN A 65 111.072 -7.767 -0.427 1.00 1.28 C ATOM 1009 O ASN A 65 112.213 -7.983 -0.068 1.00 1.31 O ATOM 1010 CB ASN A 65 108.919 -8.453 0.679 1.00 1.36 C ATOM 1011 CG ASN A 65 108.622 -8.743 2.152 1.00 1.85 C ATOM 1012 OD1 ASN A 65 108.823 -7.898 3.002 1.00 2.34 O ATOM 1013 ND2 ASN A 65 108.150 -9.910 2.492 1.00 2.56 N ATOM 0 H ASN A 65 108.470 -6.335 -0.519 1.00 1.18 H new ATOM 0 HA ASN A 65 110.488 -7.191 1.529 1.00 1.20 H new ATOM 0 HB2 ASN A 65 108.009 -8.134 0.170 1.00 1.36 H new ATOM 0 HB3 ASN A 65 109.261 -9.360 0.181 1.00 1.36 H new ATOM 0 HD21 ASN A 65 107.950 -10.113 3.471 1.00 2.56 H new ATOM 0 HD22 ASN A 65 107.981 -10.619 1.779 1.00 2.56 H new ATOM 1020 N CYS A 66 110.725 -7.871 -1.684 1.00 1.38 N ATOM 1021 CA CYS A 66 111.736 -8.265 -2.712 1.00 1.50 C ATOM 1022 C CYS A 66 112.954 -7.339 -2.647 1.00 1.43 C ATOM 1023 O CYS A 66 112.843 -6.140 -2.810 1.00 1.28 O ATOM 1024 CB CYS A 66 111.022 -8.123 -4.049 1.00 1.65 C ATOM 1025 SG CYS A 66 110.750 -9.760 -4.776 1.00 1.86 S ATOM 0 H CYS A 66 109.786 -7.700 -2.043 1.00 1.38 H new ATOM 0 HA CYS A 66 112.105 -9.279 -2.556 1.00 1.50 H new ATOM 0 HB2 CYS A 66 110.068 -7.614 -3.910 1.00 1.65 H new ATOM 0 HB3 CYS A 66 111.616 -7.509 -4.726 1.00 1.65 H new ATOM 0 HG CYS A 66 110.138 -9.632 -5.916 1.00 1.86 H new ATOM 1031 N ALA A 67 114.115 -7.889 -2.410 1.00 1.65 N ATOM 1032 CA ALA A 67 115.342 -7.043 -2.333 1.00 1.68 C ATOM 1033 C ALA A 67 116.236 -7.291 -3.550 1.00 1.84 C ATOM 1034 O ALA A 67 115.916 -8.079 -4.418 1.00 1.98 O ATOM 1035 CB ALA A 67 116.048 -7.489 -1.052 1.00 1.67 C ATOM 0 H ALA A 67 114.267 -8.887 -2.266 1.00 1.65 H new ATOM 0 HA ALA A 67 115.109 -5.978 -2.323 1.00 1.68 H new ATOM 0 HB1 ALA A 67 116.964 -6.913 -0.922 1.00 1.67 H new ATOM 0 HB2 ALA A 67 115.391 -7.324 -0.198 1.00 1.67 H new ATOM 0 HB3 ALA A 67 116.293 -8.549 -1.122 1.00 1.67 H new ATOM 1041 N ASP A 68 117.358 -6.625 -3.615 1.00 1.84 N ATOM 1042 CA ASP A 68 118.278 -6.820 -4.774 1.00 2.01 C ATOM 1043 C ASP A 68 119.048 -8.138 -4.617 1.00 2.09 C ATOM 1044 O ASP A 68 119.684 -8.361 -3.607 1.00 2.06 O ATOM 1045 CB ASP A 68 119.239 -5.631 -4.719 1.00 2.03 C ATOM 1046 CG ASP A 68 119.959 -5.494 -6.063 1.00 2.10 C ATOM 1047 OD1 ASP A 68 119.326 -5.730 -7.078 1.00 2.51 O ATOM 1048 OD2 ASP A 68 121.131 -5.156 -6.052 1.00 2.19 O ATOM 0 H ASP A 68 117.677 -5.954 -2.916 1.00 1.84 H new ATOM 0 HA ASP A 68 117.745 -6.871 -5.723 1.00 2.01 H new ATOM 0 HB2 ASP A 68 118.690 -4.717 -4.493 1.00 2.03 H new ATOM 0 HB3 ASP A 68 119.965 -5.773 -3.918 1.00 2.03 H new ATOM 1053 N PRO A 69 118.969 -8.976 -5.622 1.00 2.19 N ATOM 1054 CA PRO A 69 119.677 -10.281 -5.574 1.00 2.28 C ATOM 1055 C PRO A 69 121.186 -10.087 -5.764 1.00 2.40 C ATOM 1056 O PRO A 69 121.969 -10.987 -5.532 1.00 2.48 O ATOM 1057 CB PRO A 69 119.081 -11.056 -6.745 1.00 2.39 C ATOM 1058 CG PRO A 69 118.594 -10.011 -7.697 1.00 2.42 C ATOM 1059 CD PRO A 69 118.228 -8.799 -6.880 1.00 2.26 C ATOM 0 HA PRO A 69 119.556 -10.794 -4.620 1.00 2.28 H new ATOM 0 HB2 PRO A 69 119.827 -11.698 -7.213 1.00 2.39 H new ATOM 0 HB3 PRO A 69 118.266 -11.701 -6.417 1.00 2.39 H new ATOM 0 HG2 PRO A 69 119.366 -9.765 -8.426 1.00 2.42 H new ATOM 0 HG3 PRO A 69 117.731 -10.373 -8.257 1.00 2.42 H new ATOM 0 HD2 PRO A 69 118.515 -7.877 -7.385 1.00 2.26 H new ATOM 0 HD3 PRO A 69 117.153 -8.746 -6.705 1.00 2.26 H new ATOM 1067 N ALA A 70 121.601 -8.921 -6.189 1.00 2.44 N ATOM 1068 CA ALA A 70 123.059 -8.676 -6.399 1.00 2.58 C ATOM 1069 C ALA A 70 123.756 -8.400 -5.063 1.00 2.47 C ATOM 1070 O ALA A 70 124.918 -8.710 -4.887 1.00 2.54 O ATOM 1071 CB ALA A 70 123.126 -7.444 -7.302 1.00 2.68 C ATOM 0 H ALA A 70 120.994 -8.129 -6.399 1.00 2.44 H new ATOM 0 HA ALA A 70 123.560 -9.537 -6.841 1.00 2.58 H new ATOM 0 HB1 ALA A 70 124.168 -7.197 -7.504 1.00 2.68 H new ATOM 0 HB2 ALA A 70 122.614 -7.653 -8.241 1.00 2.68 H new ATOM 0 HB3 ALA A 70 122.644 -6.602 -6.805 1.00 2.68 H new ATOM 1077 N THR A 71 123.058 -7.817 -4.124 1.00 2.31 N ATOM 1078 CA THR A 71 123.690 -7.521 -2.804 1.00 2.20 C ATOM 1079 C THR A 71 122.686 -7.736 -1.666 1.00 2.03 C ATOM 1080 O THR A 71 122.882 -7.271 -0.561 1.00 1.98 O ATOM 1081 CB THR A 71 124.104 -6.050 -2.884 1.00 2.26 C ATOM 1082 OG1 THR A 71 124.542 -5.750 -4.202 1.00 2.41 O ATOM 1083 CG2 THR A 71 125.240 -5.786 -1.896 1.00 2.71 C ATOM 0 H THR A 71 122.082 -7.534 -4.213 1.00 2.31 H new ATOM 0 HA THR A 71 124.538 -8.175 -2.600 1.00 2.20 H new ATOM 0 HB THR A 71 123.251 -5.419 -2.634 1.00 2.26 H new ATOM 0 HG1 THR A 71 124.805 -4.807 -4.253 1.00 2.41 H new ATOM 0 HG21 THR A 71 125.535 -4.738 -1.953 1.00 2.71 H new ATOM 0 HG22 THR A 71 124.903 -6.014 -0.885 1.00 2.71 H new ATOM 0 HG23 THR A 71 126.093 -6.417 -2.145 1.00 2.71 H new ATOM 1091 N LEU A 72 121.613 -8.441 -1.927 1.00 1.98 N ATOM 1092 CA LEU A 72 120.594 -8.691 -0.860 1.00 1.83 C ATOM 1093 C LEU A 72 120.187 -7.376 -0.188 1.00 1.72 C ATOM 1094 O LEU A 72 119.874 -7.340 0.987 1.00 1.78 O ATOM 1095 CB LEU A 72 121.290 -9.613 0.145 1.00 1.83 C ATOM 1096 CG LEU A 72 120.490 -10.909 0.299 1.00 2.12 C ATOM 1097 CD1 LEU A 72 121.230 -11.848 1.252 1.00 2.20 C ATOM 1098 CD2 LEU A 72 119.106 -10.592 0.870 1.00 2.34 C ATOM 0 H LEU A 72 121.398 -8.855 -2.834 1.00 1.98 H new ATOM 0 HA LEU A 72 119.682 -9.135 -1.260 1.00 1.83 H new ATOM 0 HB2 LEU A 72 122.302 -9.837 -0.193 1.00 1.83 H new ATOM 0 HB3 LEU A 72 121.380 -9.113 1.110 1.00 1.83 H new ATOM 0 HG LEU A 72 120.379 -11.387 -0.674 1.00 2.12 H new ATOM 0 HD11 LEU A 72 120.664 -12.772 1.365 1.00 2.20 H new ATOM 0 HD12 LEU A 72 122.217 -12.074 0.847 1.00 2.20 H new ATOM 0 HD13 LEU A 72 121.338 -11.368 2.225 1.00 2.20 H new ATOM 0 HD21 LEU A 72 118.537 -11.515 0.979 1.00 2.34 H new ATOM 0 HD22 LEU A 72 119.215 -10.115 1.844 1.00 2.34 H new ATOM 0 HD23 LEU A 72 118.579 -9.919 0.194 1.00 2.34 H new ATOM 1110 N THR A 73 120.193 -6.298 -0.923 1.00 1.64 N ATOM 1111 CA THR A 73 119.811 -4.984 -0.326 1.00 1.54 C ATOM 1112 C THR A 73 118.292 -4.798 -0.374 1.00 1.40 C ATOM 1113 O THR A 73 117.686 -4.823 -1.427 1.00 1.59 O ATOM 1114 CB THR A 73 120.511 -3.928 -1.189 1.00 1.68 C ATOM 1115 OG1 THR A 73 120.909 -4.502 -2.426 1.00 1.77 O ATOM 1116 CG2 THR A 73 121.744 -3.401 -0.451 1.00 1.76 C ATOM 0 H THR A 73 120.446 -6.269 -1.911 1.00 1.64 H new ATOM 0 HA THR A 73 120.105 -4.911 0.721 1.00 1.54 H new ATOM 0 HB THR A 73 119.821 -3.106 -1.380 1.00 1.68 H new ATOM 0 HG1 THR A 73 120.619 -3.925 -3.163 1.00 1.77 H new ATOM 0 HG21 THR A 73 122.242 -2.650 -1.064 1.00 1.76 H new ATOM 0 HG22 THR A 73 121.438 -2.953 0.494 1.00 1.76 H new ATOM 0 HG23 THR A 73 122.431 -4.224 -0.257 1.00 1.76 H new ATOM 1124 N ARG A 74 117.676 -4.611 0.763 1.00 1.13 N ATOM 1125 CA ARG A 74 116.196 -4.419 0.793 1.00 1.00 C ATOM 1126 C ARG A 74 115.856 -2.925 0.746 1.00 0.90 C ATOM 1127 O ARG A 74 116.734 -2.090 0.828 1.00 0.92 O ATOM 1128 CB ARG A 74 115.746 -5.030 2.121 1.00 0.90 C ATOM 1129 CG ARG A 74 115.139 -6.411 1.869 1.00 1.43 C ATOM 1130 CD ARG A 74 114.055 -6.694 2.912 1.00 1.79 C ATOM 1131 NE ARG A 74 114.154 -8.156 3.180 1.00 2.08 N ATOM 1132 CZ ARG A 74 113.681 -9.011 2.315 1.00 2.20 C ATOM 1133 NH1 ARG A 74 112.392 -9.192 2.213 1.00 2.40 N ATOM 1134 NH2 ARG A 74 114.496 -9.687 1.552 1.00 2.60 N ATOM 0 H ARG A 74 118.134 -4.583 1.674 1.00 1.13 H new ATOM 0 HA ARG A 74 115.700 -4.884 -0.059 1.00 1.00 H new ATOM 0 HB2 ARG A 74 116.594 -5.113 2.801 1.00 0.90 H new ATOM 0 HB3 ARG A 74 115.014 -4.382 2.602 1.00 0.90 H new ATOM 0 HG2 ARG A 74 114.713 -6.455 0.866 1.00 1.43 H new ATOM 0 HG3 ARG A 74 115.915 -7.175 1.920 1.00 1.43 H new ATOM 0 HD2 ARG A 74 114.219 -6.114 3.820 1.00 1.79 H new ATOM 0 HD3 ARG A 74 113.067 -6.427 2.537 1.00 1.79 H new ATOM 0 HE ARG A 74 114.591 -8.489 4.039 1.00 2.08 H new ATOM 0 HH11 ARG A 74 111.754 -8.665 2.810 1.00 2.40 H new ATOM 0 HH12 ARG A 74 112.023 -9.860 1.537 1.00 2.40 H new ATOM 0 HH21 ARG A 74 115.503 -9.547 1.632 1.00 2.60 H new ATOM 0 HH22 ARG A 74 114.126 -10.355 0.876 1.00 2.60 H new ATOM 1148 N PRO A 75 114.586 -2.634 0.616 1.00 0.86 N ATOM 1149 CA PRO A 75 114.135 -1.221 0.560 1.00 0.80 C ATOM 1150 C PRO A 75 114.250 -0.558 1.939 1.00 0.60 C ATOM 1151 O PRO A 75 114.093 0.641 2.074 1.00 0.57 O ATOM 1152 CB PRO A 75 112.675 -1.327 0.127 1.00 0.91 C ATOM 1153 CG PRO A 75 112.242 -2.693 0.553 1.00 0.94 C ATOM 1154 CD PRO A 75 113.463 -3.576 0.510 1.00 0.94 C ATOM 0 HA PRO A 75 114.733 -0.610 -0.116 1.00 0.80 H new ATOM 0 HB2 PRO A 75 112.067 -0.555 0.599 1.00 0.91 H new ATOM 0 HB3 PRO A 75 112.573 -1.199 -0.951 1.00 0.91 H new ATOM 0 HG2 PRO A 75 111.820 -2.668 1.557 1.00 0.94 H new ATOM 0 HG3 PRO A 75 111.466 -3.076 -0.110 1.00 0.94 H new ATOM 0 HD2 PRO A 75 113.465 -4.294 1.330 1.00 0.94 H new ATOM 0 HD3 PRO A 75 113.509 -4.149 -0.416 1.00 0.94 H new ATOM 1162 N VAL A 76 114.523 -1.324 2.962 1.00 0.54 N ATOM 1163 CA VAL A 76 114.647 -0.734 4.328 1.00 0.44 C ATOM 1164 C VAL A 76 116.008 -0.045 4.484 1.00 0.44 C ATOM 1165 O VAL A 76 116.175 0.839 5.301 1.00 0.45 O ATOM 1166 CB VAL A 76 114.531 -1.921 5.286 1.00 0.51 C ATOM 1167 CG1 VAL A 76 114.632 -1.427 6.731 1.00 0.55 C ATOM 1168 CG2 VAL A 76 113.180 -2.612 5.080 1.00 0.60 C ATOM 0 H VAL A 76 114.666 -2.333 2.911 1.00 0.54 H new ATOM 0 HA VAL A 76 113.885 0.021 4.523 1.00 0.44 H new ATOM 0 HB VAL A 76 115.338 -2.626 5.086 1.00 0.51 H new ATOM 0 HG11 VAL A 76 114.549 -2.274 7.412 1.00 0.55 H new ATOM 0 HG12 VAL A 76 115.592 -0.934 6.881 1.00 0.55 H new ATOM 0 HG13 VAL A 76 113.826 -0.721 6.931 1.00 0.55 H new ATOM 0 HG21 VAL A 76 113.096 -3.458 5.762 1.00 0.60 H new ATOM 0 HG22 VAL A 76 112.375 -1.904 5.279 1.00 0.60 H new ATOM 0 HG23 VAL A 76 113.106 -2.966 4.052 1.00 0.60 H new ATOM 1178 N HIS A 77 116.981 -0.447 3.710 1.00 0.55 N ATOM 1179 CA HIS A 77 118.331 0.181 3.816 1.00 0.65 C ATOM 1180 C HIS A 77 118.308 1.601 3.242 1.00 0.69 C ATOM 1181 O HIS A 77 118.722 2.546 3.884 1.00 0.79 O ATOM 1182 CB HIS A 77 119.253 -0.717 2.988 1.00 0.80 C ATOM 1183 CG HIS A 77 119.729 -1.865 3.835 1.00 0.81 C ATOM 1184 ND1 HIS A 77 120.759 -1.973 4.738 1.00 0.83 N flip ATOM 1185 CD2 HIS A 77 119.116 -3.107 3.809 1.00 0.87 C flip ATOM 1186 CE1 HIS A 77 120.786 -3.261 5.264 1.00 0.86 C flip ATOM 1187 NE2 HIS A 77 119.776 -3.903 4.671 1.00 0.87 N flip ATOM 0 H HIS A 77 116.899 -1.183 3.009 1.00 0.55 H new ATOM 0 HA HIS A 77 118.663 0.265 4.851 1.00 0.65 H new ATOM 0 HB2 HIS A 77 118.723 -1.092 2.113 1.00 0.80 H new ATOM 0 HB3 HIS A 77 120.105 -0.143 2.623 1.00 0.80 H new ATOM 0 HD1 HIS A 77 121.405 -1.223 4.985 1.00 0.83 H new ATOM 0 HD2 HIS A 77 118.264 -3.386 3.207 1.00 0.87 H new ATOM 0 HE1 HIS A 77 121.476 -3.657 5.995 1.00 0.86 H new ATOM 1195 N ASP A 78 117.826 1.758 2.036 1.00 0.70 N ATOM 1196 CA ASP A 78 117.777 3.119 1.420 1.00 0.77 C ATOM 1197 C ASP A 78 116.949 4.069 2.289 1.00 0.61 C ATOM 1198 O ASP A 78 117.358 5.179 2.575 1.00 0.70 O ATOM 1199 CB ASP A 78 117.107 2.918 0.060 1.00 0.84 C ATOM 1200 CG ASP A 78 118.124 2.358 -0.935 1.00 1.13 C ATOM 1201 OD1 ASP A 78 119.108 3.035 -1.190 1.00 1.76 O ATOM 1202 OD2 ASP A 78 117.904 1.263 -1.425 1.00 1.67 O ATOM 0 H ASP A 78 117.465 1.004 1.452 1.00 0.70 H new ATOM 0 HA ASP A 78 118.769 3.561 1.325 1.00 0.77 H new ATOM 0 HB2 ASP A 78 116.263 2.235 0.156 1.00 0.84 H new ATOM 0 HB3 ASP A 78 116.710 3.865 -0.305 1.00 0.84 H new ATOM 1207 N ALA A 79 115.788 3.643 2.711 1.00 0.44 N ATOM 1208 CA ALA A 79 114.931 4.521 3.561 1.00 0.42 C ATOM 1209 C ALA A 79 115.661 4.875 4.861 1.00 0.59 C ATOM 1210 O ALA A 79 115.407 5.899 5.465 1.00 0.73 O ATOM 1211 CB ALA A 79 113.680 3.694 3.856 1.00 0.40 C ATOM 0 H ALA A 79 115.396 2.725 2.504 1.00 0.44 H new ATOM 0 HA ALA A 79 114.688 5.462 3.067 1.00 0.42 H new ATOM 0 HB1 ALA A 79 112.999 4.274 4.479 1.00 0.40 H new ATOM 0 HB2 ALA A 79 113.185 3.436 2.920 1.00 0.40 H new ATOM 0 HB3 ALA A 79 113.963 2.781 4.380 1.00 0.40 H new ATOM 1217 N ALA A 80 116.564 4.037 5.294 1.00 0.65 N ATOM 1218 CA ALA A 80 117.310 4.326 6.554 1.00 0.86 C ATOM 1219 C ALA A 80 118.553 5.172 6.258 1.00 0.94 C ATOM 1220 O ALA A 80 119.084 5.834 7.127 1.00 1.05 O ATOM 1221 CB ALA A 80 117.713 2.954 7.099 1.00 0.96 C ATOM 0 H ALA A 80 116.818 3.165 4.830 1.00 0.65 H new ATOM 0 HA ALA A 80 116.708 4.889 7.267 1.00 0.86 H new ATOM 0 HB1 ALA A 80 118.268 3.080 8.029 1.00 0.96 H new ATOM 0 HB2 ALA A 80 116.818 2.361 7.288 1.00 0.96 H new ATOM 0 HB3 ALA A 80 118.340 2.442 6.369 1.00 0.96 H new ATOM 1227 N ARG A 81 119.021 5.154 5.038 1.00 0.94 N ATOM 1228 CA ARG A 81 120.231 5.955 4.688 1.00 1.06 C ATOM 1229 C ARG A 81 119.888 7.447 4.646 1.00 1.08 C ATOM 1230 O ARG A 81 120.717 8.290 4.931 1.00 1.21 O ATOM 1231 CB ARG A 81 120.649 5.463 3.302 1.00 1.13 C ATOM 1232 CG ARG A 81 121.953 6.150 2.884 1.00 1.59 C ATOM 1233 CD ARG A 81 122.974 5.096 2.448 1.00 1.72 C ATOM 1234 NE ARG A 81 122.592 4.746 1.051 1.00 2.06 N ATOM 1235 CZ ARG A 81 123.377 5.069 0.061 1.00 2.48 C ATOM 1236 NH1 ARG A 81 124.550 4.507 -0.051 1.00 2.65 N ATOM 1237 NH2 ARG A 81 122.991 5.953 -0.818 1.00 3.11 N ATOM 0 H ARG A 81 118.618 4.619 4.269 1.00 0.94 H new ATOM 0 HA ARG A 81 121.029 5.834 5.421 1.00 1.06 H new ATOM 0 HB2 ARG A 81 120.784 4.381 3.314 1.00 1.13 H new ATOM 0 HB3 ARG A 81 119.864 5.678 2.577 1.00 1.13 H new ATOM 0 HG2 ARG A 81 121.763 6.846 2.067 1.00 1.59 H new ATOM 0 HG3 ARG A 81 122.350 6.734 3.714 1.00 1.59 H new ATOM 0 HD2 ARG A 81 123.990 5.488 2.493 1.00 1.72 H new ATOM 0 HD3 ARG A 81 122.941 4.221 3.098 1.00 1.72 H new ATOM 0 HE ARG A 81 121.717 4.254 0.869 1.00 2.06 H new ATOM 0 HH11 ARG A 81 124.852 3.816 0.636 1.00 2.65 H new ATOM 0 HH12 ARG A 81 125.164 4.759 -0.825 1.00 2.65 H new ATOM 0 HH21 ARG A 81 122.074 6.392 -0.731 1.00 3.11 H new ATOM 0 HH22 ARG A 81 123.606 6.205 -1.592 1.00 3.11 H new ATOM 1251 N GLU A 82 118.675 7.780 4.292 1.00 0.99 N ATOM 1252 CA GLU A 82 118.283 9.219 4.231 1.00 1.05 C ATOM 1253 C GLU A 82 117.807 9.696 5.605 1.00 1.07 C ATOM 1254 O GLU A 82 118.047 10.821 5.998 1.00 1.29 O ATOM 1255 CB GLU A 82 117.141 9.277 3.216 1.00 0.99 C ATOM 1256 CG GLU A 82 117.691 9.708 1.855 1.00 1.47 C ATOM 1257 CD GLU A 82 117.606 11.230 1.727 1.00 1.52 C ATOM 1258 OE1 GLU A 82 117.787 11.900 2.732 1.00 1.78 O ATOM 1259 OE2 GLU A 82 117.364 11.700 0.629 1.00 2.10 O ATOM 0 H GLU A 82 117.939 7.119 4.043 1.00 0.99 H new ATOM 0 HA GLU A 82 119.115 9.862 3.943 1.00 1.05 H new ATOM 0 HB2 GLU A 82 116.663 8.301 3.135 1.00 0.99 H new ATOM 0 HB3 GLU A 82 116.378 9.979 3.551 1.00 0.99 H new ATOM 0 HG2 GLU A 82 118.725 9.381 1.749 1.00 1.47 H new ATOM 0 HG3 GLU A 82 117.123 9.233 1.055 1.00 1.47 H new ATOM 1266 N GLY A 83 117.135 8.850 6.339 1.00 0.97 N ATOM 1267 CA GLY A 83 116.644 9.254 7.688 1.00 1.04 C ATOM 1268 C GLY A 83 115.160 9.618 7.609 1.00 0.98 C ATOM 1269 O GLY A 83 114.730 10.623 8.141 1.00 1.06 O ATOM 0 H GLY A 83 116.905 7.896 6.062 1.00 0.97 H new ATOM 0 HA2 GLY A 83 116.791 8.440 8.398 1.00 1.04 H new ATOM 0 HA3 GLY A 83 117.218 10.105 8.055 1.00 1.04 H new ATOM 1273 N PHE A 84 114.374 8.806 6.954 1.00 0.91 N ATOM 1274 CA PHE A 84 112.916 9.103 6.843 1.00 0.90 C ATOM 1275 C PHE A 84 112.107 8.026 7.572 1.00 0.91 C ATOM 1276 O PHE A 84 111.932 6.928 7.079 1.00 0.81 O ATOM 1277 CB PHE A 84 112.616 9.081 5.343 1.00 0.83 C ATOM 1278 CG PHE A 84 111.747 10.263 4.983 1.00 0.98 C ATOM 1279 CD1 PHE A 84 110.357 10.178 5.119 1.00 1.22 C ATOM 1280 CD2 PHE A 84 112.333 11.445 4.512 1.00 1.25 C ATOM 1281 CE1 PHE A 84 109.551 11.274 4.786 1.00 1.40 C ATOM 1282 CE2 PHE A 84 111.528 12.541 4.179 1.00 1.32 C ATOM 1283 CZ PHE A 84 110.137 12.455 4.316 1.00 1.69 C ATOM 0 H PHE A 84 114.678 7.950 6.491 1.00 0.91 H new ATOM 0 HA PHE A 84 112.652 10.060 7.292 1.00 0.90 H new ATOM 0 HB2 PHE A 84 113.546 9.114 4.775 1.00 0.83 H new ATOM 0 HB3 PHE A 84 112.113 8.152 5.076 1.00 0.83 H new ATOM 0 HD1 PHE A 84 109.905 9.266 5.481 1.00 1.22 H new ATOM 0 HD2 PHE A 84 113.406 11.511 4.406 1.00 1.25 H new ATOM 0 HE1 PHE A 84 108.478 11.208 4.892 1.00 1.40 H new ATOM 0 HE2 PHE A 84 111.980 13.453 3.817 1.00 1.32 H new ATOM 0 HZ PHE A 84 109.516 13.300 4.059 1.00 1.69 H new ATOM 1293 N LEU A 85 111.616 8.331 8.744 1.00 1.08 N ATOM 1294 CA LEU A 85 110.822 7.325 9.508 1.00 1.14 C ATOM 1295 C LEU A 85 109.421 7.181 8.904 1.00 1.14 C ATOM 1296 O LEU A 85 108.761 6.175 9.082 1.00 1.17 O ATOM 1297 CB LEU A 85 110.738 7.878 10.934 1.00 1.34 C ATOM 1298 CG LEU A 85 111.562 6.999 11.878 1.00 1.47 C ATOM 1299 CD1 LEU A 85 111.537 7.597 13.285 1.00 1.87 C ATOM 1300 CD2 LEU A 85 110.967 5.587 11.913 1.00 1.92 C ATOM 0 H LEU A 85 111.731 9.234 9.205 1.00 1.08 H new ATOM 0 HA LEU A 85 111.281 6.337 9.482 1.00 1.14 H new ATOM 0 HB2 LEU A 85 111.109 8.903 10.959 1.00 1.34 H new ATOM 0 HB3 LEU A 85 109.699 7.907 11.263 1.00 1.34 H new ATOM 0 HG LEU A 85 112.591 6.951 11.522 1.00 1.47 H new ATOM 0 HD11 LEU A 85 112.124 6.971 13.957 1.00 1.87 H new ATOM 0 HD12 LEU A 85 111.961 8.601 13.261 1.00 1.87 H new ATOM 0 HD13 LEU A 85 110.508 7.646 13.641 1.00 1.87 H new ATOM 0 HD21 LEU A 85 111.554 4.961 12.585 1.00 1.92 H new ATOM 0 HD22 LEU A 85 109.938 5.635 12.268 1.00 1.92 H new ATOM 0 HD23 LEU A 85 110.986 5.159 10.911 1.00 1.92 H new ATOM 1312 N ASP A 86 108.961 8.177 8.194 1.00 1.12 N ATOM 1313 CA ASP A 86 107.602 8.094 7.582 1.00 1.15 C ATOM 1314 C ASP A 86 107.529 6.903 6.620 1.00 1.03 C ATOM 1315 O ASP A 86 106.564 6.165 6.607 1.00 1.13 O ATOM 1316 CB ASP A 86 107.420 9.414 6.826 1.00 1.17 C ATOM 1317 CG ASP A 86 106.052 10.021 7.155 1.00 1.18 C ATOM 1318 OD1 ASP A 86 105.522 9.710 8.208 1.00 1.68 O ATOM 1319 OD2 ASP A 86 105.561 10.793 6.348 1.00 1.43 O ATOM 0 H ASP A 86 109.467 9.044 8.011 1.00 1.12 H new ATOM 0 HA ASP A 86 106.821 7.947 8.328 1.00 1.15 H new ATOM 0 HB2 ASP A 86 108.212 10.111 7.099 1.00 1.17 H new ATOM 0 HB3 ASP A 86 107.503 9.243 5.753 1.00 1.17 H new ATOM 1324 N THR A 87 108.543 6.710 5.818 1.00 0.85 N ATOM 1325 CA THR A 87 108.531 5.563 4.863 1.00 0.74 C ATOM 1326 C THR A 87 108.753 4.252 5.621 1.00 0.69 C ATOM 1327 O THR A 87 108.136 3.245 5.330 1.00 0.70 O ATOM 1328 CB THR A 87 109.688 5.835 3.896 1.00 0.64 C ATOM 1329 OG1 THR A 87 109.425 7.028 3.170 1.00 0.83 O ATOM 1330 CG2 THR A 87 109.835 4.664 2.920 1.00 0.65 C ATOM 0 H THR A 87 109.377 7.296 5.783 1.00 0.85 H new ATOM 0 HA THR A 87 107.581 5.469 4.336 1.00 0.74 H new ATOM 0 HB THR A 87 110.613 5.947 4.462 1.00 0.64 H new ATOM 0 HG1 THR A 87 110.165 7.205 2.552 1.00 0.83 H new ATOM 0 HG21 THR A 87 110.659 4.863 2.235 1.00 0.65 H new ATOM 0 HG22 THR A 87 110.039 3.749 3.477 1.00 0.65 H new ATOM 0 HG23 THR A 87 108.912 4.545 2.353 1.00 0.65 H new ATOM 1338 N LEU A 88 109.624 4.259 6.595 1.00 0.68 N ATOM 1339 CA LEU A 88 109.882 3.013 7.379 1.00 0.65 C ATOM 1340 C LEU A 88 108.570 2.481 7.961 1.00 0.79 C ATOM 1341 O LEU A 88 108.270 1.306 7.872 1.00 0.75 O ATOM 1342 CB LEU A 88 110.836 3.434 8.500 1.00 0.69 C ATOM 1343 CG LEU A 88 112.204 2.785 8.282 1.00 0.88 C ATOM 1344 CD1 LEU A 88 113.015 3.621 7.291 1.00 1.21 C ATOM 1345 CD2 LEU A 88 112.949 2.712 9.615 1.00 0.94 C ATOM 0 H LEU A 88 110.168 5.072 6.882 1.00 0.68 H new ATOM 0 HA LEU A 88 110.306 2.218 6.765 1.00 0.65 H new ATOM 0 HB2 LEU A 88 110.936 4.519 8.517 1.00 0.69 H new ATOM 0 HB3 LEU A 88 110.431 3.136 9.467 1.00 0.69 H new ATOM 0 HG LEU A 88 112.070 1.780 7.883 1.00 0.88 H new ATOM 0 HD11 LEU A 88 113.990 3.158 7.136 1.00 1.21 H new ATOM 0 HD12 LEU A 88 112.484 3.675 6.341 1.00 1.21 H new ATOM 0 HD13 LEU A 88 113.150 4.627 7.689 1.00 1.21 H new ATOM 0 HD21 LEU A 88 113.924 2.250 9.462 1.00 0.94 H new ATOM 0 HD22 LEU A 88 113.083 3.718 10.013 1.00 0.94 H new ATOM 0 HD23 LEU A 88 112.372 2.116 10.322 1.00 0.94 H new ATOM 1357 N VAL A 89 107.782 3.342 8.547 1.00 0.96 N ATOM 1358 CA VAL A 89 106.482 2.893 9.126 1.00 1.11 C ATOM 1359 C VAL A 89 105.580 2.363 8.009 1.00 1.08 C ATOM 1360 O VAL A 89 104.907 1.362 8.162 1.00 1.14 O ATOM 1361 CB VAL A 89 105.874 4.146 9.763 1.00 1.26 C ATOM 1362 CG1 VAL A 89 104.512 3.807 10.370 1.00 1.41 C ATOM 1363 CG2 VAL A 89 106.805 4.662 10.864 1.00 1.33 C ATOM 0 H VAL A 89 107.982 4.337 8.650 1.00 0.96 H new ATOM 0 HA VAL A 89 106.602 2.091 9.854 1.00 1.11 H new ATOM 0 HB VAL A 89 105.749 4.913 8.999 1.00 1.26 H new ATOM 0 HG11 VAL A 89 104.083 4.701 10.822 1.00 1.41 H new ATOM 0 HG12 VAL A 89 103.847 3.440 9.589 1.00 1.41 H new ATOM 0 HG13 VAL A 89 104.635 3.038 11.133 1.00 1.41 H new ATOM 0 HG21 VAL A 89 106.373 5.554 11.318 1.00 1.33 H new ATOM 0 HG22 VAL A 89 106.930 3.892 11.625 1.00 1.33 H new ATOM 0 HG23 VAL A 89 107.776 4.908 10.434 1.00 1.33 H new ATOM 1373 N VAL A 90 105.568 3.031 6.886 1.00 1.02 N ATOM 1374 CA VAL A 90 104.720 2.580 5.750 1.00 1.02 C ATOM 1375 C VAL A 90 105.077 1.142 5.359 1.00 0.96 C ATOM 1376 O VAL A 90 104.215 0.300 5.196 1.00 1.10 O ATOM 1377 CB VAL A 90 105.044 3.548 4.607 1.00 0.96 C ATOM 1378 CG1 VAL A 90 104.246 3.163 3.362 1.00 0.98 C ATOM 1379 CG2 VAL A 90 104.673 4.973 5.025 1.00 1.06 C ATOM 0 H VAL A 90 106.113 3.874 6.708 1.00 1.02 H new ATOM 0 HA VAL A 90 103.659 2.584 5.998 1.00 1.02 H new ATOM 0 HB VAL A 90 106.110 3.496 4.384 1.00 0.96 H new ATOM 0 HG11 VAL A 90 104.480 3.854 2.552 1.00 0.98 H new ATOM 0 HG12 VAL A 90 104.508 2.149 3.061 1.00 0.98 H new ATOM 0 HG13 VAL A 90 103.180 3.211 3.584 1.00 0.98 H new ATOM 0 HG21 VAL A 90 104.903 5.662 4.212 1.00 1.06 H new ATOM 0 HG22 VAL A 90 103.608 5.020 5.250 1.00 1.06 H new ATOM 0 HG23 VAL A 90 105.244 5.253 5.911 1.00 1.06 H new ATOM 1389 N LEU A 91 106.344 0.857 5.210 1.00 0.78 N ATOM 1390 CA LEU A 91 106.766 -0.525 4.830 1.00 0.76 C ATOM 1391 C LEU A 91 106.260 -1.538 5.862 1.00 0.89 C ATOM 1392 O LEU A 91 105.625 -2.517 5.525 1.00 1.01 O ATOM 1393 CB LEU A 91 108.296 -0.486 4.830 1.00 0.61 C ATOM 1394 CG LEU A 91 108.803 -0.240 3.410 1.00 0.56 C ATOM 1395 CD1 LEU A 91 108.970 1.263 3.179 1.00 0.70 C ATOM 1396 CD2 LEU A 91 110.153 -0.937 3.225 1.00 0.71 C ATOM 0 H LEU A 91 107.107 1.523 5.335 1.00 0.78 H new ATOM 0 HA LEU A 91 106.363 -0.826 3.863 1.00 0.76 H new ATOM 0 HB2 LEU A 91 108.650 0.302 5.495 1.00 0.61 H new ATOM 0 HB3 LEU A 91 108.694 -1.427 5.211 1.00 0.61 H new ATOM 0 HG LEU A 91 108.085 -0.639 2.694 1.00 0.56 H new ATOM 0 HD11 LEU A 91 109.332 1.437 2.166 1.00 0.70 H new ATOM 0 HD12 LEU A 91 108.009 1.761 3.312 1.00 0.70 H new ATOM 0 HD13 LEU A 91 109.688 1.664 3.895 1.00 0.70 H new ATOM 0 HD21 LEU A 91 110.517 -0.763 2.212 1.00 0.71 H new ATOM 0 HD22 LEU A 91 110.870 -0.537 3.942 1.00 0.71 H new ATOM 0 HD23 LEU A 91 110.035 -2.008 3.389 1.00 0.71 H new ATOM 1408 N HIS A 92 106.540 -1.305 7.114 1.00 0.96 N ATOM 1409 CA HIS A 92 106.081 -2.250 8.175 1.00 1.11 C ATOM 1410 C HIS A 92 104.554 -2.355 8.169 1.00 1.21 C ATOM 1411 O HIS A 92 103.990 -3.359 8.562 1.00 1.30 O ATOM 1412 CB HIS A 92 106.570 -1.635 9.487 1.00 1.21 C ATOM 1413 CG HIS A 92 106.886 -2.726 10.473 1.00 1.31 C ATOM 1414 ND1 HIS A 92 107.155 -2.461 11.807 1.00 1.65 N ATOM 1415 CD2 HIS A 92 106.982 -4.089 10.335 1.00 1.33 C ATOM 1416 CE1 HIS A 92 107.397 -3.636 12.414 1.00 1.66 C ATOM 1417 NE2 HIS A 92 107.304 -4.662 11.563 1.00 1.47 N ATOM 0 H HIS A 92 107.068 -0.500 7.451 1.00 0.96 H new ATOM 0 HA HIS A 92 106.467 -3.258 8.025 1.00 1.11 H new ATOM 0 HB2 HIS A 92 107.457 -1.027 9.306 1.00 1.21 H new ATOM 0 HB3 HIS A 92 105.807 -0.972 9.896 1.00 1.21 H new ATOM 0 HD2 HIS A 92 106.831 -4.634 9.415 1.00 1.33 H new ATOM 0 HE1 HIS A 92 107.637 -3.738 13.462 1.00 1.66 H new ATOM 0 HE2 HIS A 92 107.440 -5.652 11.768 1.00 1.47 H new ATOM 1425 N ARG A 93 103.880 -1.326 7.729 1.00 1.25 N ATOM 1426 CA ARG A 93 102.388 -1.364 7.700 1.00 1.38 C ATOM 1427 C ARG A 93 101.903 -2.383 6.663 1.00 1.33 C ATOM 1428 O ARG A 93 101.351 -3.412 7.002 1.00 1.39 O ATOM 1429 CB ARG A 93 101.960 0.053 7.307 1.00 1.46 C ATOM 1430 CG ARG A 93 100.855 0.535 8.249 1.00 1.54 C ATOM 1431 CD ARG A 93 100.989 2.046 8.461 1.00 1.61 C ATOM 1432 NE ARG A 93 100.184 2.660 7.369 1.00 2.32 N ATOM 1433 CZ ARG A 93 99.789 3.900 7.467 1.00 2.76 C ATOM 1434 NH1 ARG A 93 98.752 4.198 8.201 1.00 3.05 N ATOM 1435 NH2 ARG A 93 100.432 4.841 6.832 1.00 3.26 N ATOM 0 H ARG A 93 104.298 -0.460 7.388 1.00 1.25 H new ATOM 0 HA ARG A 93 101.965 -1.664 8.659 1.00 1.38 H new ATOM 0 HB2 ARG A 93 102.814 0.729 7.356 1.00 1.46 H new ATOM 0 HB3 ARG A 93 101.604 0.064 6.277 1.00 1.46 H new ATOM 0 HG2 ARG A 93 99.877 0.301 7.829 1.00 1.54 H new ATOM 0 HG3 ARG A 93 100.924 0.015 9.205 1.00 1.54 H new ATOM 0 HD2 ARG A 93 100.615 2.342 9.441 1.00 1.61 H new ATOM 0 HD3 ARG A 93 102.031 2.361 8.409 1.00 1.61 H new ATOM 0 HE ARG A 93 99.941 2.111 6.544 1.00 2.32 H new ATOM 0 HH11 ARG A 93 98.250 3.462 8.698 1.00 3.05 H new ATOM 0 HH12 ARG A 93 98.443 5.167 8.278 1.00 3.05 H new ATOM 0 HH21 ARG A 93 101.243 4.607 6.259 1.00 3.26 H new ATOM 0 HH22 ARG A 93 100.124 5.810 6.908 1.00 3.26 H new ATOM 1449 N ALA A 94 102.101 -2.101 5.402 1.00 1.36 N ATOM 1450 CA ALA A 94 101.651 -3.044 4.340 1.00 1.38 C ATOM 1451 C ALA A 94 102.231 -4.442 4.577 1.00 1.36 C ATOM 1452 O ALA A 94 101.651 -5.437 4.192 1.00 1.58 O ATOM 1453 CB ALA A 94 102.184 -2.458 3.032 1.00 1.34 C ATOM 0 H ALA A 94 102.557 -1.254 5.062 1.00 1.36 H new ATOM 0 HA ALA A 94 100.567 -3.153 4.327 1.00 1.38 H new ATOM 0 HB1 ALA A 94 101.892 -3.099 2.200 1.00 1.34 H new ATOM 0 HB2 ALA A 94 101.769 -1.461 2.884 1.00 1.34 H new ATOM 0 HB3 ALA A 94 103.271 -2.396 3.078 1.00 1.34 H new ATOM 1459 N GLY A 95 103.372 -4.523 5.206 1.00 1.55 N ATOM 1460 CA GLY A 95 103.990 -5.854 5.466 1.00 1.54 C ATOM 1461 C GLY A 95 105.342 -5.938 4.757 1.00 1.34 C ATOM 1462 O GLY A 95 105.437 -6.390 3.633 1.00 1.44 O ATOM 0 H GLY A 95 103.903 -3.724 5.551 1.00 1.55 H new ATOM 0 HA2 GLY A 95 104.120 -6.003 6.538 1.00 1.54 H new ATOM 0 HA3 GLY A 95 103.332 -6.647 5.112 1.00 1.54 H new ATOM 1466 N ALA A 96 106.390 -5.505 5.405 1.00 1.25 N ATOM 1467 CA ALA A 96 107.739 -5.559 4.768 1.00 1.06 C ATOM 1468 C ALA A 96 108.781 -6.065 5.771 1.00 0.97 C ATOM 1469 O ALA A 96 108.823 -5.634 6.906 1.00 1.08 O ATOM 1470 CB ALA A 96 108.041 -4.117 4.362 1.00 1.08 C ATOM 0 H ALA A 96 106.371 -5.116 6.348 1.00 1.25 H new ATOM 0 HA ALA A 96 107.766 -6.238 3.916 1.00 1.06 H new ATOM 0 HB1 ALA A 96 109.020 -4.071 3.884 1.00 1.08 H new ATOM 0 HB2 ALA A 96 107.280 -3.769 3.664 1.00 1.08 H new ATOM 0 HB3 ALA A 96 108.039 -3.482 5.248 1.00 1.08 H new ATOM 1476 N ARG A 97 109.623 -6.975 5.356 1.00 0.95 N ATOM 1477 CA ARG A 97 110.665 -7.509 6.283 1.00 1.01 C ATOM 1478 C ARG A 97 111.736 -6.445 6.540 1.00 1.01 C ATOM 1479 O ARG A 97 112.098 -5.691 5.657 1.00 1.11 O ATOM 1480 CB ARG A 97 111.269 -8.711 5.555 1.00 1.15 C ATOM 1481 CG ARG A 97 112.122 -9.526 6.529 1.00 1.46 C ATOM 1482 CD ARG A 97 113.313 -10.131 5.781 1.00 1.51 C ATOM 1483 NE ARG A 97 113.672 -11.354 6.552 1.00 2.06 N ATOM 1484 CZ ARG A 97 113.486 -12.533 6.027 1.00 2.76 C ATOM 1485 NH1 ARG A 97 114.382 -13.041 5.227 1.00 3.46 N ATOM 1486 NH2 ARG A 97 112.403 -13.206 6.304 1.00 3.17 N ATOM 0 H ARG A 97 109.634 -7.371 4.416 1.00 0.95 H new ATOM 0 HA ARG A 97 110.251 -7.787 7.252 1.00 1.01 H new ATOM 0 HB2 ARG A 97 110.476 -9.334 5.141 1.00 1.15 H new ATOM 0 HB3 ARG A 97 111.879 -8.373 4.717 1.00 1.15 H new ATOM 0 HG2 ARG A 97 112.474 -8.890 7.341 1.00 1.46 H new ATOM 0 HG3 ARG A 97 111.523 -10.317 6.980 1.00 1.46 H new ATOM 0 HD2 ARG A 97 113.049 -10.376 4.752 1.00 1.51 H new ATOM 0 HD3 ARG A 97 114.148 -9.432 5.738 1.00 1.51 H new ATOM 0 HE ARG A 97 114.063 -11.269 7.490 1.00 2.06 H new ATOM 0 HH11 ARG A 97 115.229 -12.516 5.011 1.00 3.46 H new ATOM 0 HH12 ARG A 97 114.235 -13.963 4.817 1.00 3.46 H new ATOM 0 HH21 ARG A 97 111.703 -12.810 6.931 1.00 3.17 H new ATOM 0 HH22 ARG A 97 112.257 -14.128 5.894 1.00 3.17 H new ATOM 1500 N LEU A 98 112.245 -6.378 7.741 1.00 1.05 N ATOM 1501 CA LEU A 98 113.292 -5.361 8.054 1.00 1.10 C ATOM 1502 C LEU A 98 114.561 -6.033 8.593 1.00 1.26 C ATOM 1503 O LEU A 98 115.550 -5.379 8.858 1.00 1.72 O ATOM 1504 CB LEU A 98 112.666 -4.464 9.122 1.00 1.15 C ATOM 1505 CG LEU A 98 111.709 -3.469 8.459 1.00 1.13 C ATOM 1506 CD1 LEU A 98 110.268 -3.960 8.618 1.00 1.43 C ATOM 1507 CD2 LEU A 98 111.854 -2.098 9.126 1.00 1.50 C ATOM 0 H LEU A 98 111.982 -6.983 8.519 1.00 1.05 H new ATOM 0 HA LEU A 98 113.591 -4.800 7.169 1.00 1.10 H new ATOM 0 HB2 LEU A 98 112.129 -5.070 9.851 1.00 1.15 H new ATOM 0 HB3 LEU A 98 113.445 -3.929 9.664 1.00 1.15 H new ATOM 0 HG LEU A 98 111.951 -3.387 7.399 1.00 1.13 H new ATOM 0 HD11 LEU A 98 109.588 -3.251 8.146 1.00 1.43 H new ATOM 0 HD12 LEU A 98 110.162 -4.936 8.144 1.00 1.43 H new ATOM 0 HD13 LEU A 98 110.027 -4.043 9.678 1.00 1.43 H new ATOM 0 HD21 LEU A 98 111.173 -1.390 8.654 1.00 1.50 H new ATOM 0 HD22 LEU A 98 111.613 -2.182 10.186 1.00 1.50 H new ATOM 0 HD23 LEU A 98 112.879 -1.745 9.014 1.00 1.50 H new ATOM 1519 N ASP A 99 114.545 -7.332 8.756 1.00 1.05 N ATOM 1520 CA ASP A 99 115.755 -8.033 9.277 1.00 1.20 C ATOM 1521 C ASP A 99 116.615 -8.536 8.114 1.00 1.22 C ATOM 1522 O ASP A 99 116.712 -9.722 7.869 1.00 1.45 O ATOM 1523 CB ASP A 99 115.215 -9.206 10.096 1.00 1.35 C ATOM 1524 CG ASP A 99 116.365 -9.868 10.857 1.00 1.55 C ATOM 1525 OD1 ASP A 99 117.126 -9.148 11.483 1.00 2.12 O ATOM 1526 OD2 ASP A 99 116.464 -11.082 10.803 1.00 2.07 O ATOM 0 H ASP A 99 113.748 -7.935 8.551 1.00 1.05 H new ATOM 0 HA ASP A 99 116.386 -7.377 9.877 1.00 1.20 H new ATOM 0 HB2 ASP A 99 114.456 -8.856 10.795 1.00 1.35 H new ATOM 0 HB3 ASP A 99 114.734 -9.931 9.439 1.00 1.35 H new ATOM 1531 N VAL A 100 117.238 -7.639 7.397 1.00 1.09 N ATOM 1532 CA VAL A 100 118.094 -8.055 6.249 1.00 1.18 C ATOM 1533 C VAL A 100 119.418 -7.284 6.271 1.00 1.20 C ATOM 1534 O VAL A 100 119.485 -6.165 6.741 1.00 1.13 O ATOM 1535 CB VAL A 100 117.285 -7.694 4.999 1.00 1.11 C ATOM 1536 CG1 VAL A 100 117.055 -6.181 4.948 1.00 0.95 C ATOM 1537 CG2 VAL A 100 118.056 -8.133 3.753 1.00 1.30 C ATOM 0 H VAL A 100 117.190 -6.633 7.558 1.00 1.09 H new ATOM 0 HA VAL A 100 118.342 -9.116 6.282 1.00 1.18 H new ATOM 0 HB VAL A 100 116.322 -8.203 5.034 1.00 1.11 H new ATOM 0 HG11 VAL A 100 116.479 -5.930 4.057 1.00 0.95 H new ATOM 0 HG12 VAL A 100 116.506 -5.866 5.835 1.00 0.95 H new ATOM 0 HG13 VAL A 100 118.016 -5.668 4.915 1.00 0.95 H new ATOM 0 HG21 VAL A 100 117.483 -7.878 2.862 1.00 1.30 H new ATOM 0 HG22 VAL A 100 119.019 -7.624 3.723 1.00 1.30 H new ATOM 0 HG23 VAL A 100 118.216 -9.211 3.785 1.00 1.30 H new ATOM 1547 N CYS A 101 120.468 -7.867 5.757 1.00 1.33 N ATOM 1548 CA CYS A 101 121.781 -7.156 5.740 1.00 1.40 C ATOM 1549 C CYS A 101 122.209 -6.914 4.292 1.00 1.40 C ATOM 1550 O CYS A 101 121.749 -7.577 3.385 1.00 1.54 O ATOM 1551 CB CYS A 101 122.781 -8.088 6.441 1.00 1.61 C ATOM 1552 SG CYS A 101 122.057 -8.748 7.968 1.00 2.07 S ATOM 0 H CYS A 101 120.474 -8.802 5.349 1.00 1.33 H new ATOM 0 HA CYS A 101 121.727 -6.189 6.241 1.00 1.40 H new ATOM 0 HB2 CYS A 101 123.054 -8.907 5.776 1.00 1.61 H new ATOM 0 HB3 CYS A 101 123.698 -7.544 6.670 1.00 1.61 H new ATOM 0 HG CYS A 101 122.913 -9.536 8.549 1.00 2.07 H new ATOM 1558 N ASP A 102 123.084 -5.971 4.068 1.00 1.56 N ATOM 1559 CA ASP A 102 123.538 -5.695 2.674 1.00 1.67 C ATOM 1560 C ASP A 102 124.375 -6.870 2.160 1.00 1.86 C ATOM 1561 O ASP A 102 125.583 -6.790 2.069 1.00 2.00 O ATOM 1562 CB ASP A 102 124.387 -4.426 2.775 1.00 1.76 C ATOM 1563 CG ASP A 102 124.094 -3.516 1.580 1.00 2.02 C ATOM 1564 OD1 ASP A 102 124.411 -3.909 0.470 1.00 2.65 O ATOM 1565 OD2 ASP A 102 123.560 -2.441 1.796 1.00 2.05 O ATOM 0 H ASP A 102 123.503 -5.381 4.787 1.00 1.56 H new ATOM 0 HA ASP A 102 122.707 -5.567 1.981 1.00 1.67 H new ATOM 0 HB2 ASP A 102 124.168 -3.903 3.706 1.00 1.76 H new ATOM 0 HB3 ASP A 102 125.446 -4.685 2.797 1.00 1.76 H new ATOM 1570 N ALA A 103 123.732 -7.963 1.831 1.00 1.90 N ATOM 1571 CA ALA A 103 124.472 -9.164 1.329 1.00 2.14 C ATOM 1572 C ALA A 103 125.447 -9.666 2.400 1.00 2.26 C ATOM 1573 O ALA A 103 125.168 -10.616 3.106 1.00 2.58 O ATOM 1574 CB ALA A 103 125.223 -8.697 0.078 1.00 2.23 C ATOM 0 H ALA A 103 122.720 -8.076 1.889 1.00 1.90 H new ATOM 0 HA ALA A 103 123.801 -9.991 1.098 1.00 2.14 H new ATOM 0 HB1 ALA A 103 125.787 -9.531 -0.340 1.00 2.23 H new ATOM 0 HB2 ALA A 103 124.509 -8.335 -0.661 1.00 2.23 H new ATOM 0 HB3 ALA A 103 125.909 -7.893 0.344 1.00 2.23 H new ATOM 1580 N TRP A 104 126.581 -9.033 2.531 1.00 2.25 N ATOM 1581 CA TRP A 104 127.569 -9.467 3.562 1.00 2.38 C ATOM 1582 C TRP A 104 127.992 -8.268 4.414 1.00 2.12 C ATOM 1583 O TRP A 104 129.139 -8.136 4.792 1.00 2.48 O ATOM 1584 CB TRP A 104 128.764 -10.022 2.778 1.00 3.03 C ATOM 1585 CG TRP A 104 129.184 -9.046 1.722 1.00 3.05 C ATOM 1586 CD1 TRP A 104 129.846 -7.887 1.949 1.00 3.80 C ATOM 1587 CD2 TRP A 104 128.983 -9.126 0.281 1.00 2.67 C ATOM 1588 NE1 TRP A 104 130.062 -7.251 0.740 1.00 3.81 N ATOM 1589 CE2 TRP A 104 129.548 -7.976 -0.317 1.00 3.00 C ATOM 1590 CE3 TRP A 104 128.370 -10.076 -0.556 1.00 2.64 C ATOM 1591 CZ2 TRP A 104 129.509 -7.776 -1.698 1.00 2.78 C ATOM 1592 CZ3 TRP A 104 128.328 -9.878 -1.945 1.00 2.70 C ATOM 1593 CH2 TRP A 104 128.895 -8.730 -2.515 1.00 2.49 C ATOM 0 H TRP A 104 126.867 -8.232 1.968 1.00 2.25 H new ATOM 0 HA TRP A 104 127.156 -10.214 4.239 1.00 2.38 H new ATOM 0 HB2 TRP A 104 129.595 -10.216 3.456 1.00 3.03 H new ATOM 0 HB3 TRP A 104 128.497 -10.974 2.319 1.00 3.03 H new ATOM 0 HD1 TRP A 104 130.155 -7.519 2.916 1.00 3.80 H new ATOM 0 HE1 TRP A 104 130.542 -6.356 0.641 1.00 3.81 H new ATOM 0 HE3 TRP A 104 127.929 -10.964 -0.127 1.00 2.64 H new ATOM 0 HZ2 TRP A 104 129.950 -6.891 -2.132 1.00 2.78 H new ATOM 0 HZ3 TRP A 104 127.856 -10.615 -2.578 1.00 2.70 H new ATOM 0 HH2 TRP A 104 128.858 -8.582 -3.584 1.00 2.49 H new ATOM 1604 N GLY A 105 127.071 -7.390 4.715 1.00 1.86 N ATOM 1605 CA GLY A 105 127.419 -6.195 5.536 1.00 2.11 C ATOM 1606 C GLY A 105 126.584 -6.180 6.818 1.00 1.65 C ATOM 1607 O GLY A 105 126.344 -7.204 7.428 1.00 1.90 O ATOM 0 H GLY A 105 126.094 -7.450 4.428 1.00 1.86 H new ATOM 0 HA2 GLY A 105 128.480 -6.210 5.784 1.00 2.11 H new ATOM 0 HA3 GLY A 105 127.238 -5.285 4.964 1.00 2.11 H new ATOM 1611 N ARG A 106 126.147 -5.022 7.234 1.00 1.57 N ATOM 1612 CA ARG A 106 125.335 -4.929 8.483 1.00 1.72 C ATOM 1613 C ARG A 106 123.849 -4.780 8.146 1.00 1.49 C ATOM 1614 O ARG A 106 123.427 -5.018 7.032 1.00 1.69 O ATOM 1615 CB ARG A 106 125.846 -3.676 9.195 1.00 1.99 C ATOM 1616 CG ARG A 106 127.343 -3.818 9.480 1.00 2.60 C ATOM 1617 CD ARG A 106 127.850 -2.567 10.203 1.00 3.21 C ATOM 1618 NE ARG A 106 129.018 -2.105 9.404 1.00 3.39 N ATOM 1619 CZ ARG A 106 130.142 -1.816 9.999 1.00 3.95 C ATOM 1620 NH1 ARG A 106 130.171 -0.906 10.933 1.00 4.13 N ATOM 1621 NH2 ARG A 106 131.239 -2.439 9.662 1.00 4.59 N ATOM 0 H ARG A 106 126.317 -4.134 6.762 1.00 1.57 H new ATOM 0 HA ARG A 106 125.432 -5.822 9.101 1.00 1.72 H new ATOM 0 HB2 ARG A 106 125.666 -2.796 8.577 1.00 1.99 H new ATOM 0 HB3 ARG A 106 125.301 -3.528 10.127 1.00 1.99 H new ATOM 0 HG2 ARG A 106 127.525 -4.702 10.091 1.00 2.60 H new ATOM 0 HG3 ARG A 106 127.889 -3.958 8.547 1.00 2.60 H new ATOM 0 HD2 ARG A 106 127.077 -1.800 10.252 1.00 3.21 H new ATOM 0 HD3 ARG A 106 128.139 -2.794 11.229 1.00 3.21 H new ATOM 0 HE ARG A 106 128.939 -2.014 8.391 1.00 3.39 H new ATOM 0 HH11 ARG A 106 129.314 -0.420 11.198 1.00 4.13 H new ATOM 0 HH12 ARG A 106 131.050 -0.680 11.398 1.00 4.13 H new ATOM 0 HH21 ARG A 106 131.217 -3.152 8.933 1.00 4.59 H new ATOM 0 HH22 ARG A 106 132.118 -2.213 10.128 1.00 4.59 H new ATOM 1635 N LEU A 107 123.057 -4.388 9.107 1.00 1.37 N ATOM 1636 CA LEU A 107 121.596 -4.220 8.858 1.00 1.16 C ATOM 1637 C LEU A 107 121.282 -2.752 8.543 1.00 1.06 C ATOM 1638 O LEU A 107 122.149 -1.906 8.631 1.00 1.17 O ATOM 1639 CB LEU A 107 120.932 -4.644 10.170 1.00 1.14 C ATOM 1640 CG LEU A 107 120.532 -6.118 10.087 1.00 1.22 C ATOM 1641 CD1 LEU A 107 121.592 -6.977 10.779 1.00 1.94 C ATOM 1642 CD2 LEU A 107 119.183 -6.322 10.780 1.00 1.05 C ATOM 0 H LEU A 107 123.360 -4.176 10.058 1.00 1.37 H new ATOM 0 HA LEU A 107 121.243 -4.807 8.010 1.00 1.16 H new ATOM 0 HB2 LEU A 107 121.617 -4.489 11.003 1.00 1.14 H new ATOM 0 HB3 LEU A 107 120.053 -4.028 10.361 1.00 1.14 H new ATOM 0 HG LEU A 107 120.453 -6.411 9.040 1.00 1.22 H new ATOM 0 HD11 LEU A 107 121.305 -8.027 10.719 1.00 1.94 H new ATOM 0 HD12 LEU A 107 122.554 -6.835 10.287 1.00 1.94 H new ATOM 0 HD13 LEU A 107 121.673 -6.682 11.825 1.00 1.94 H new ATOM 0 HD21 LEU A 107 118.899 -7.373 10.720 1.00 1.05 H new ATOM 0 HD22 LEU A 107 119.263 -6.026 11.826 1.00 1.05 H new ATOM 0 HD23 LEU A 107 118.425 -5.713 10.288 1.00 1.05 H new ATOM 1654 N PRO A 108 120.046 -2.493 8.190 1.00 0.92 N ATOM 1655 CA PRO A 108 119.630 -1.104 7.870 1.00 0.88 C ATOM 1656 C PRO A 108 119.654 -0.240 9.132 1.00 0.92 C ATOM 1657 O PRO A 108 119.755 0.970 9.067 1.00 1.02 O ATOM 1658 CB PRO A 108 118.207 -1.269 7.338 1.00 0.79 C ATOM 1659 CG PRO A 108 117.724 -2.549 7.937 1.00 0.80 C ATOM 1660 CD PRO A 108 118.930 -3.442 8.060 1.00 0.86 C ATOM 0 HA PRO A 108 120.287 -0.609 7.154 1.00 0.88 H new ATOM 0 HB2 PRO A 108 117.575 -0.431 7.632 1.00 0.79 H new ATOM 0 HB3 PRO A 108 118.194 -1.312 6.249 1.00 0.79 H new ATOM 0 HG2 PRO A 108 117.269 -2.374 8.912 1.00 0.80 H new ATOM 0 HG3 PRO A 108 116.962 -3.009 7.308 1.00 0.80 H new ATOM 0 HD2 PRO A 108 118.857 -4.098 8.928 1.00 0.86 H new ATOM 0 HD3 PRO A 108 119.047 -4.082 7.185 1.00 0.86 H new ATOM 1668 N VAL A 109 119.569 -0.855 10.282 1.00 0.94 N ATOM 1669 CA VAL A 109 119.593 -0.074 11.553 1.00 1.06 C ATOM 1670 C VAL A 109 121.013 0.432 11.832 1.00 1.22 C ATOM 1671 O VAL A 109 121.205 1.444 12.479 1.00 1.34 O ATOM 1672 CB VAL A 109 119.146 -1.061 12.636 1.00 1.11 C ATOM 1673 CG1 VAL A 109 120.132 -2.230 12.715 1.00 1.18 C ATOM 1674 CG2 VAL A 109 119.096 -0.345 13.988 1.00 1.30 C ATOM 0 H VAL A 109 119.484 -1.865 10.396 1.00 0.94 H new ATOM 0 HA VAL A 109 118.946 0.802 11.514 1.00 1.06 H new ATOM 0 HB VAL A 109 118.156 -1.443 12.386 1.00 1.11 H new ATOM 0 HG11 VAL A 109 119.808 -2.928 13.487 1.00 1.18 H new ATOM 0 HG12 VAL A 109 120.166 -2.743 11.754 1.00 1.18 H new ATOM 0 HG13 VAL A 109 121.125 -1.853 12.960 1.00 1.18 H new ATOM 0 HG21 VAL A 109 118.778 -1.046 14.760 1.00 1.30 H new ATOM 0 HG22 VAL A 109 120.086 0.040 14.233 1.00 1.30 H new ATOM 0 HG23 VAL A 109 118.388 0.482 13.936 1.00 1.30 H new ATOM 1684 N ASP A 110 122.008 -0.265 11.347 1.00 1.26 N ATOM 1685 CA ASP A 110 123.414 0.174 11.582 1.00 1.44 C ATOM 1686 C ASP A 110 123.788 1.290 10.601 1.00 1.45 C ATOM 1687 O ASP A 110 124.465 2.236 10.953 1.00 1.60 O ATOM 1688 CB ASP A 110 124.267 -1.071 11.332 1.00 1.52 C ATOM 1689 CG ASP A 110 124.087 -2.053 12.491 1.00 1.74 C ATOM 1690 OD1 ASP A 110 124.167 -1.616 13.628 1.00 2.42 O ATOM 1691 OD2 ASP A 110 123.874 -3.223 12.224 1.00 1.97 O ATOM 0 H ASP A 110 121.907 -1.119 10.799 1.00 1.26 H new ATOM 0 HA ASP A 110 123.561 0.571 12.586 1.00 1.44 H new ATOM 0 HB2 ASP A 110 123.976 -1.542 10.393 1.00 1.52 H new ATOM 0 HB3 ASP A 110 125.317 -0.793 11.237 1.00 1.52 H new ATOM 1696 N LEU A 111 123.345 1.188 9.375 1.00 1.34 N ATOM 1697 CA LEU A 111 123.668 2.246 8.373 1.00 1.40 C ATOM 1698 C LEU A 111 123.131 3.599 8.851 1.00 1.41 C ATOM 1699 O LEU A 111 123.651 4.641 8.505 1.00 1.53 O ATOM 1700 CB LEU A 111 122.961 1.811 7.089 1.00 1.33 C ATOM 1701 CG LEU A 111 123.873 2.067 5.888 1.00 1.56 C ATOM 1702 CD1 LEU A 111 123.513 1.103 4.756 1.00 1.80 C ATOM 1703 CD2 LEU A 111 123.687 3.508 5.408 1.00 1.99 C ATOM 0 H LEU A 111 122.774 0.419 9.025 1.00 1.34 H new ATOM 0 HA LEU A 111 124.742 2.361 8.223 1.00 1.40 H new ATOM 0 HB2 LEU A 111 122.704 0.753 7.144 1.00 1.33 H new ATOM 0 HB3 LEU A 111 122.027 2.360 6.972 1.00 1.33 H new ATOM 0 HG LEU A 111 124.911 1.910 6.180 1.00 1.56 H new ATOM 0 HD11 LEU A 111 124.164 1.287 3.901 1.00 1.80 H new ATOM 0 HD12 LEU A 111 123.643 0.076 5.097 1.00 1.80 H new ATOM 0 HD13 LEU A 111 122.475 1.258 4.462 1.00 1.80 H new ATOM 0 HD21 LEU A 111 124.336 3.693 4.552 1.00 1.99 H new ATOM 0 HD22 LEU A 111 122.648 3.663 5.116 1.00 1.99 H new ATOM 0 HD23 LEU A 111 123.944 4.196 6.214 1.00 1.99 H new ATOM 1715 N ALA A 112 122.097 3.584 9.650 1.00 1.36 N ATOM 1716 CA ALA A 112 121.524 4.864 10.158 1.00 1.46 C ATOM 1717 C ALA A 112 122.390 5.409 11.297 1.00 1.59 C ATOM 1718 O ALA A 112 122.837 6.538 11.264 1.00 1.78 O ATOM 1719 CB ALA A 112 120.131 4.497 10.671 1.00 1.41 C ATOM 0 H ALA A 112 121.624 2.740 9.973 1.00 1.36 H new ATOM 0 HA ALA A 112 121.484 5.636 9.390 1.00 1.46 H new ATOM 0 HB1 ALA A 112 119.641 5.388 11.063 1.00 1.41 H new ATOM 0 HB2 ALA A 112 119.538 4.087 9.853 1.00 1.41 H new ATOM 0 HB3 ALA A 112 120.219 3.753 11.463 1.00 1.41 H new ATOM 1725 N GLU A 113 122.628 4.611 12.306 1.00 1.57 N ATOM 1726 CA GLU A 113 123.462 5.073 13.452 1.00 1.79 C ATOM 1727 C GLU A 113 124.806 5.618 12.955 1.00 1.85 C ATOM 1728 O GLU A 113 125.429 6.440 13.599 1.00 2.05 O ATOM 1729 CB GLU A 113 123.675 3.829 14.316 1.00 1.83 C ATOM 1730 CG GLU A 113 122.350 3.426 14.964 1.00 2.31 C ATOM 1731 CD GLU A 113 122.589 2.276 15.944 1.00 2.50 C ATOM 1732 OE1 GLU A 113 123.246 1.322 15.559 1.00 2.26 O ATOM 1733 OE2 GLU A 113 122.112 2.369 17.064 1.00 3.39 O ATOM 0 H GLU A 113 122.279 3.656 12.384 1.00 1.57 H new ATOM 0 HA GLU A 113 122.982 5.880 14.007 1.00 1.79 H new ATOM 0 HB2 GLU A 113 124.058 3.011 13.706 1.00 1.83 H new ATOM 0 HB3 GLU A 113 124.422 4.030 15.084 1.00 1.83 H new ATOM 0 HG2 GLU A 113 121.915 4.278 15.486 1.00 2.31 H new ATOM 0 HG3 GLU A 113 121.636 3.123 14.198 1.00 2.31 H new ATOM 1740 N GLU A 114 125.256 5.165 11.814 1.00 1.75 N ATOM 1741 CA GLU A 114 126.558 5.657 11.276 1.00 1.87 C ATOM 1742 C GLU A 114 126.377 7.031 10.626 1.00 1.95 C ATOM 1743 O GLU A 114 127.050 7.982 10.971 1.00 2.07 O ATOM 1744 CB GLU A 114 126.976 4.619 10.232 1.00 1.86 C ATOM 1745 CG GLU A 114 128.085 3.733 10.804 1.00 2.21 C ATOM 1746 CD GLU A 114 128.667 2.861 9.691 1.00 2.65 C ATOM 1747 OE1 GLU A 114 127.890 2.257 8.970 1.00 3.16 O ATOM 1748 OE2 GLU A 114 129.880 2.811 9.578 1.00 3.08 O ATOM 0 H GLU A 114 124.779 4.476 11.232 1.00 1.75 H new ATOM 0 HA GLU A 114 127.309 5.773 12.057 1.00 1.87 H new ATOM 0 HB2 GLU A 114 126.119 4.008 9.948 1.00 1.86 H new ATOM 0 HB3 GLU A 114 127.325 5.118 9.328 1.00 1.86 H new ATOM 0 HG2 GLU A 114 128.868 4.351 11.243 1.00 2.21 H new ATOM 0 HG3 GLU A 114 127.688 3.106 11.602 1.00 2.21 H new ATOM 1755 N GLN A 115 125.473 7.141 9.690 1.00 1.97 N ATOM 1756 CA GLN A 115 125.250 8.455 9.018 1.00 2.12 C ATOM 1757 C GLN A 115 124.774 9.493 10.039 1.00 2.20 C ATOM 1758 O GLN A 115 125.472 10.440 10.346 1.00 2.59 O ATOM 1759 CB GLN A 115 124.162 8.193 7.975 1.00 2.42 C ATOM 1760 CG GLN A 115 124.548 8.861 6.654 1.00 2.95 C ATOM 1761 CD GLN A 115 125.672 8.064 5.989 1.00 3.47 C ATOM 1762 OE1 GLN A 115 125.494 6.912 5.645 1.00 3.81 O ATOM 1763 NE2 GLN A 115 126.830 8.632 5.793 1.00 4.06 N ATOM 0 H GLN A 115 124.880 6.379 9.362 1.00 1.97 H new ATOM 0 HA GLN A 115 126.161 8.845 8.564 1.00 2.12 H new ATOM 0 HB2 GLN A 115 124.035 7.120 7.829 1.00 2.42 H new ATOM 0 HB3 GLN A 115 123.206 8.582 8.326 1.00 2.42 H new ATOM 0 HG2 GLN A 115 123.683 8.911 5.993 1.00 2.95 H new ATOM 0 HG3 GLN A 115 124.872 9.886 6.833 1.00 2.95 H new ATOM 0 HE21 GLN A 115 126.979 9.599 6.082 1.00 4.06 H new ATOM 0 HE22 GLN A 115 127.586 8.109 5.351 1.00 4.06 H new ATOM 1772 N GLY A 116 123.592 9.319 10.566 1.00 2.16 N ATOM 1773 CA GLY A 116 123.070 10.292 11.566 1.00 2.40 C ATOM 1774 C GLY A 116 121.543 10.214 11.609 1.00 2.20 C ATOM 1775 O GLY A 116 120.860 11.218 11.577 1.00 2.29 O ATOM 0 H GLY A 116 122.966 8.544 10.347 1.00 2.16 H new ATOM 0 HA2 GLY A 116 123.483 10.074 12.551 1.00 2.40 H new ATOM 0 HA3 GLY A 116 123.385 11.302 11.305 1.00 2.40 H new ATOM 1779 N HIS A 117 121.003 9.026 11.685 1.00 1.98 N ATOM 1780 CA HIS A 117 119.516 8.882 11.733 1.00 1.83 C ATOM 1781 C HIS A 117 119.103 8.131 13.003 1.00 1.93 C ATOM 1782 O HIS A 117 118.571 7.042 12.945 1.00 1.93 O ATOM 1783 CB HIS A 117 119.143 8.075 10.486 1.00 1.60 C ATOM 1784 CG HIS A 117 119.693 8.748 9.257 1.00 1.68 C ATOM 1785 ND1 HIS A 117 119.414 10.071 8.951 1.00 1.93 N ATOM 1786 CD2 HIS A 117 120.507 8.294 8.249 1.00 2.12 C ATOM 1787 CE1 HIS A 117 120.050 10.363 7.802 1.00 1.96 C ATOM 1788 NE2 HIS A 117 120.731 9.315 7.331 1.00 2.01 N ATOM 0 H HIS A 117 121.525 8.150 11.716 1.00 1.98 H new ATOM 0 HA HIS A 117 119.011 9.848 11.751 1.00 1.83 H new ATOM 0 HB2 HIS A 117 119.539 7.063 10.565 1.00 1.60 H new ATOM 0 HB3 HIS A 117 118.059 7.988 10.409 1.00 1.60 H new ATOM 0 HD2 HIS A 117 120.912 7.295 8.179 1.00 2.12 H new ATOM 0 HE1 HIS A 117 120.014 11.328 7.319 1.00 1.96 H new ATOM 0 HE2 HIS A 117 121.294 9.272 6.481 1.00 2.01 H new ATOM 1796 N ARG A 118 119.346 8.707 14.150 1.00 2.09 N ATOM 1797 CA ARG A 118 118.967 8.025 15.426 1.00 2.24 C ATOM 1798 C ARG A 118 117.473 7.693 15.423 1.00 2.13 C ATOM 1799 O ARG A 118 117.052 6.678 15.942 1.00 2.16 O ATOM 1800 CB ARG A 118 119.289 9.034 16.534 1.00 2.56 C ATOM 1801 CG ARG A 118 120.376 8.464 17.449 1.00 2.92 C ATOM 1802 CD ARG A 118 121.743 9.007 17.023 1.00 3.29 C ATOM 1803 NE ARG A 118 122.292 9.664 18.242 1.00 3.57 N ATOM 1804 CZ ARG A 118 122.311 10.966 18.329 1.00 4.10 C ATOM 1805 NH1 ARG A 118 123.227 11.648 17.699 1.00 4.53 N ATOM 1806 NH2 ARG A 118 121.414 11.586 19.048 1.00 4.53 N ATOM 0 H ARG A 118 119.790 9.619 14.261 1.00 2.09 H new ATOM 0 HA ARG A 118 119.503 7.086 15.564 1.00 2.24 H new ATOM 0 HB2 ARG A 118 119.624 9.975 16.097 1.00 2.56 H new ATOM 0 HB3 ARG A 118 118.391 9.253 17.112 1.00 2.56 H new ATOM 0 HG2 ARG A 118 120.172 8.735 18.485 1.00 2.92 H new ATOM 0 HG3 ARG A 118 120.374 7.375 17.398 1.00 2.92 H new ATOM 0 HD2 ARG A 118 122.396 8.206 16.678 1.00 3.29 H new ATOM 0 HD3 ARG A 118 121.648 9.716 16.201 1.00 3.29 H new ATOM 0 HE ARG A 118 122.653 9.096 19.009 1.00 3.57 H new ATOM 0 HH11 ARG A 118 123.928 11.164 17.138 1.00 4.53 H new ATOM 0 HH12 ARG A 118 123.242 12.666 17.767 1.00 4.53 H new ATOM 0 HH21 ARG A 118 120.698 11.053 19.542 1.00 4.53 H new ATOM 0 HH22 ARG A 118 121.429 12.604 19.116 1.00 4.53 H new ATOM 1820 N ASP A 119 116.670 8.543 14.842 1.00 2.04 N ATOM 1821 CA ASP A 119 115.203 8.281 14.803 1.00 1.99 C ATOM 1822 C ASP A 119 114.916 6.990 14.029 1.00 1.74 C ATOM 1823 O ASP A 119 114.179 6.135 14.482 1.00 1.76 O ATOM 1824 CB ASP A 119 114.604 9.487 14.078 1.00 1.99 C ATOM 1825 CG ASP A 119 114.670 10.714 14.989 1.00 2.10 C ATOM 1826 OD1 ASP A 119 113.986 10.714 16.000 1.00 2.36 O ATOM 1827 OD2 ASP A 119 115.402 11.633 14.661 1.00 2.51 O ATOM 0 H ASP A 119 116.967 9.409 14.392 1.00 2.04 H new ATOM 0 HA ASP A 119 114.779 8.154 15.799 1.00 1.99 H new ATOM 0 HB2 ASP A 119 115.150 9.677 13.154 1.00 1.99 H new ATOM 0 HB3 ASP A 119 113.570 9.282 13.801 1.00 1.99 H new ATOM 1832 N ILE A 120 115.494 6.844 12.867 1.00 1.52 N ATOM 1833 CA ILE A 120 115.257 5.610 12.062 1.00 1.28 C ATOM 1834 C ILE A 120 115.965 4.409 12.705 1.00 1.30 C ATOM 1835 O ILE A 120 115.570 3.275 12.523 1.00 1.21 O ATOM 1836 CB ILE A 120 115.831 5.931 10.672 1.00 1.13 C ATOM 1837 CG1 ILE A 120 114.976 5.253 9.601 1.00 0.99 C ATOM 1838 CG2 ILE A 120 117.277 5.433 10.555 1.00 1.43 C ATOM 1839 CD1 ILE A 120 114.895 6.157 8.370 1.00 1.29 C ATOM 0 H ILE A 120 116.121 7.526 12.440 1.00 1.52 H new ATOM 0 HA ILE A 120 114.202 5.341 12.004 1.00 1.28 H new ATOM 0 HB ILE A 120 115.820 7.012 10.531 1.00 1.13 H new ATOM 0 HG12 ILE A 120 115.408 4.290 9.331 1.00 0.99 H new ATOM 0 HG13 ILE A 120 113.976 5.057 9.988 1.00 0.99 H new ATOM 0 HG21 ILE A 120 117.664 5.670 9.564 1.00 1.43 H new ATOM 0 HG22 ILE A 120 117.892 5.921 11.311 1.00 1.43 H new ATOM 0 HG23 ILE A 120 117.304 4.354 10.706 1.00 1.43 H new ATOM 0 HD11 ILE A 120 114.286 5.676 7.605 1.00 1.29 H new ATOM 0 HD12 ILE A 120 114.444 7.110 8.647 1.00 1.29 H new ATOM 0 HD13 ILE A 120 115.898 6.331 7.979 1.00 1.29 H new ATOM 1851 N ALA A 121 117.007 4.655 13.455 1.00 1.45 N ATOM 1852 CA ALA A 121 117.740 3.531 14.109 1.00 1.51 C ATOM 1853 C ALA A 121 116.883 2.919 15.219 1.00 1.60 C ATOM 1854 O ALA A 121 116.769 1.714 15.336 1.00 1.54 O ATOM 1855 CB ALA A 121 119.002 4.163 14.693 1.00 1.71 C ATOM 0 H ALA A 121 117.382 5.585 13.643 1.00 1.45 H new ATOM 0 HA ALA A 121 117.975 2.729 13.409 1.00 1.51 H new ATOM 0 HB1 ALA A 121 119.595 3.397 15.192 1.00 1.71 H new ATOM 0 HB2 ALA A 121 119.589 4.611 13.891 1.00 1.71 H new ATOM 0 HB3 ALA A 121 118.724 4.933 15.413 1.00 1.71 H new ATOM 1861 N ARG A 122 116.280 3.741 16.035 1.00 1.81 N ATOM 1862 CA ARG A 122 115.428 3.213 17.141 1.00 1.95 C ATOM 1863 C ARG A 122 114.287 2.366 16.569 1.00 1.81 C ATOM 1864 O ARG A 122 114.097 1.227 16.948 1.00 1.81 O ATOM 1865 CB ARG A 122 114.875 4.452 17.846 1.00 2.19 C ATOM 1866 CG ARG A 122 116.018 5.194 18.544 1.00 2.59 C ATOM 1867 CD ARG A 122 115.671 6.682 18.654 1.00 2.75 C ATOM 1868 NE ARG A 122 115.244 6.873 20.068 1.00 2.86 N ATOM 1869 CZ ARG A 122 116.135 6.903 21.022 1.00 3.45 C ATOM 1870 NH1 ARG A 122 117.214 7.624 20.885 1.00 3.93 N ATOM 1871 NH2 ARG A 122 115.946 6.212 22.113 1.00 3.91 N ATOM 0 H ARG A 122 116.340 4.758 15.984 1.00 1.81 H new ATOM 0 HA ARG A 122 115.988 2.574 17.824 1.00 1.95 H new ATOM 0 HB2 ARG A 122 114.389 5.108 17.124 1.00 2.19 H new ATOM 0 HB3 ARG A 122 114.117 4.162 18.574 1.00 2.19 H new ATOM 0 HG2 ARG A 122 116.185 4.775 19.536 1.00 2.59 H new ATOM 0 HG3 ARG A 122 116.944 5.066 17.984 1.00 2.59 H new ATOM 0 HD2 ARG A 122 116.531 7.307 18.413 1.00 2.75 H new ATOM 0 HD3 ARG A 122 114.875 6.954 17.961 1.00 2.75 H new ATOM 0 HE ARG A 122 114.255 6.980 20.291 1.00 2.86 H new ATOM 0 HH11 ARG A 122 117.361 8.164 20.033 1.00 3.93 H new ATOM 0 HH12 ARG A 122 117.910 7.647 21.630 1.00 3.93 H new ATOM 0 HH21 ARG A 122 115.102 5.649 22.220 1.00 3.91 H new ATOM 0 HH22 ARG A 122 116.642 6.235 22.858 1.00 3.91 H new ATOM 1885 N TYR A 123 113.531 2.913 15.654 1.00 1.72 N ATOM 1886 CA TYR A 123 112.405 2.138 15.052 1.00 1.63 C ATOM 1887 C TYR A 123 112.943 0.884 14.357 1.00 1.41 C ATOM 1888 O TYR A 123 112.322 -0.161 14.371 1.00 1.43 O ATOM 1889 CB TYR A 123 111.771 3.087 14.033 1.00 1.60 C ATOM 1890 CG TYR A 123 110.416 2.559 13.622 1.00 1.56 C ATOM 1891 CD1 TYR A 123 109.296 2.805 14.425 1.00 1.81 C ATOM 1892 CD2 TYR A 123 110.283 1.826 12.438 1.00 1.63 C ATOM 1893 CE1 TYR A 123 108.041 2.318 14.043 1.00 1.66 C ATOM 1894 CE2 TYR A 123 109.027 1.339 12.054 1.00 1.37 C ATOM 1895 CZ TYR A 123 107.906 1.584 12.857 1.00 1.29 C ATOM 1896 OH TYR A 123 106.669 1.104 12.480 1.00 1.96 O ATOM 0 H TYR A 123 113.644 3.862 15.297 1.00 1.72 H new ATOM 0 HA TYR A 123 111.685 1.804 15.799 1.00 1.63 H new ATOM 0 HB2 TYR A 123 111.669 4.083 14.463 1.00 1.60 H new ATOM 0 HB3 TYR A 123 112.416 3.182 13.159 1.00 1.60 H new ATOM 0 HD1 TYR A 123 109.401 3.371 15.339 1.00 1.81 H new ATOM 0 HD2 TYR A 123 111.148 1.636 11.820 1.00 1.63 H new ATOM 0 HE1 TYR A 123 107.177 2.508 14.662 1.00 1.66 H new ATOM 0 HE2 TYR A 123 108.923 0.775 11.139 1.00 1.37 H new ATOM 0 HH TYR A 123 106.751 0.618 11.633 1.00 1.96 H new ATOM 1906 N LEU A 124 114.098 0.983 13.753 1.00 1.25 N ATOM 1907 CA LEU A 124 114.683 -0.201 13.059 1.00 1.09 C ATOM 1908 C LEU A 124 115.186 -1.220 14.086 1.00 1.19 C ATOM 1909 O LEU A 124 115.012 -2.411 13.925 1.00 1.25 O ATOM 1910 CB LEU A 124 115.846 0.353 12.236 1.00 1.07 C ATOM 1911 CG LEU A 124 115.303 0.997 10.961 1.00 1.02 C ATOM 1912 CD1 LEU A 124 116.441 1.696 10.214 1.00 1.10 C ATOM 1913 CD2 LEU A 124 114.696 -0.084 10.065 1.00 1.42 C ATOM 0 H LEU A 124 114.661 1.832 13.710 1.00 1.25 H new ATOM 0 HA LEU A 124 113.953 -0.715 12.434 1.00 1.09 H new ATOM 0 HB2 LEU A 124 116.402 1.087 12.819 1.00 1.07 H new ATOM 0 HB3 LEU A 124 116.542 -0.447 11.985 1.00 1.07 H new ATOM 0 HG LEU A 124 114.538 1.728 11.222 1.00 1.02 H new ATOM 0 HD11 LEU A 124 116.052 2.155 9.305 1.00 1.10 H new ATOM 0 HD12 LEU A 124 116.876 2.466 10.851 1.00 1.10 H new ATOM 0 HD13 LEU A 124 117.207 0.966 9.953 1.00 1.10 H new ATOM 0 HD21 LEU A 124 114.308 0.373 9.155 1.00 1.42 H new ATOM 0 HD22 LEU A 124 115.462 -0.814 9.806 1.00 1.42 H new ATOM 0 HD23 LEU A 124 113.884 -0.582 10.595 1.00 1.42 H new ATOM 1925 N HIS A 125 115.807 -0.759 15.139 1.00 1.27 N ATOM 1926 CA HIS A 125 116.321 -1.701 16.178 1.00 1.39 C ATOM 1927 C HIS A 125 115.169 -2.521 16.770 1.00 1.51 C ATOM 1928 O HIS A 125 115.371 -3.591 17.309 1.00 1.59 O ATOM 1929 CB HIS A 125 116.950 -0.809 17.250 1.00 1.61 C ATOM 1930 CG HIS A 125 117.830 -1.639 18.144 1.00 2.20 C ATOM 1931 ND1 HIS A 125 119.211 -1.521 18.140 1.00 2.95 N ATOM 1932 CD2 HIS A 125 117.539 -2.602 19.079 1.00 2.83 C ATOM 1933 CE1 HIS A 125 119.694 -2.392 19.046 1.00 3.72 C ATOM 1934 NE2 HIS A 125 118.718 -3.075 19.647 1.00 3.70 N ATOM 0 H HIS A 125 115.981 0.229 15.325 1.00 1.27 H new ATOM 0 HA HIS A 125 117.038 -2.412 15.768 1.00 1.39 H new ATOM 0 HB2 HIS A 125 117.534 -0.017 16.782 1.00 1.61 H new ATOM 0 HB3 HIS A 125 116.170 -0.325 17.838 1.00 1.61 H new ATOM 0 HD2 HIS A 125 116.546 -2.941 19.335 1.00 2.83 H new ATOM 0 HE1 HIS A 125 120.744 -2.522 19.260 1.00 3.72 H new ATOM 0 HE2 HIS A 125 118.815 -3.790 20.368 1.00 3.70 H new ATOM 1942 N ALA A 126 113.963 -2.026 16.674 1.00 1.62 N ATOM 1943 CA ALA A 126 112.801 -2.778 17.233 1.00 1.85 C ATOM 1944 C ALA A 126 112.268 -3.777 16.201 1.00 1.78 C ATOM 1945 O ALA A 126 111.751 -4.821 16.546 1.00 1.98 O ATOM 1946 CB ALA A 126 111.749 -1.713 17.538 1.00 2.04 C ATOM 0 H ALA A 126 113.733 -1.135 16.234 1.00 1.62 H new ATOM 0 HA ALA A 126 113.071 -3.352 18.120 1.00 1.85 H new ATOM 0 HB1 ALA A 126 110.860 -2.188 17.954 1.00 2.04 H new ATOM 0 HB2 ALA A 126 112.151 -1.001 18.259 1.00 2.04 H new ATOM 0 HB3 ALA A 126 111.484 -1.189 16.619 1.00 2.04 H new ATOM 1952 N ALA A 127 112.385 -3.463 14.939 1.00 1.56 N ATOM 1953 CA ALA A 127 111.882 -4.393 13.885 1.00 1.57 C ATOM 1954 C ALA A 127 113.023 -5.261 13.341 1.00 1.45 C ATOM 1955 O ALA A 127 112.796 -6.311 12.773 1.00 1.64 O ATOM 1956 CB ALA A 127 111.330 -3.485 12.786 1.00 1.58 C ATOM 0 H ALA A 127 112.807 -2.602 14.591 1.00 1.56 H new ATOM 0 HA ALA A 127 111.126 -5.077 14.271 1.00 1.57 H new ATOM 0 HB1 ALA A 127 110.940 -4.095 11.972 1.00 1.58 H new ATOM 0 HB2 ALA A 127 110.529 -2.867 13.192 1.00 1.58 H new ATOM 0 HB3 ALA A 127 112.127 -2.844 12.409 1.00 1.58 H new ATOM 1962 N THR A 128 114.246 -4.829 13.506 1.00 1.33 N ATOM 1963 CA THR A 128 115.398 -5.629 12.992 1.00 1.29 C ATOM 1964 C THR A 128 116.111 -6.343 14.145 1.00 1.43 C ATOM 1965 O THR A 128 116.884 -7.258 13.936 1.00 1.70 O ATOM 1966 CB THR A 128 116.338 -4.613 12.332 1.00 1.18 C ATOM 1967 OG1 THR A 128 116.964 -3.826 13.337 1.00 1.96 O ATOM 1968 CG2 THR A 128 115.549 -3.703 11.384 1.00 1.39 C ATOM 0 H THR A 128 114.497 -3.958 13.974 1.00 1.33 H new ATOM 0 HA THR A 128 115.075 -6.399 12.291 1.00 1.29 H new ATOM 0 HB THR A 128 117.096 -5.148 11.760 1.00 1.18 H new ATOM 0 HG1 THR A 128 116.280 -3.358 13.860 1.00 1.96 H new ATOM 0 HG21 THR A 128 116.226 -2.985 10.921 1.00 1.39 H new ATOM 0 HG22 THR A 128 115.076 -4.307 10.610 1.00 1.39 H new ATOM 0 HG23 THR A 128 114.783 -3.168 11.946 1.00 1.39 H new