USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 770 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 61 ASN : amide:sc= 1.56 K(o=2.5,f=-3.3!) USER MOD Set 1.2: A 84 THR OG1 : rot 27:sc= 0.905 USER MOD Set 2.1: A 15 MET CE :methyl -162:sc= -2.99 (180deg=-3.39!) USER MOD Set 2.2: A 49 SER OG : rot -67:sc= -0.856 USER MOD Set 3.1: A 25 ASN : amide:sc= 0.0323 X(o=0.032,f=0) USER MOD Set 3.2: A 39 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 35 GLN : amide:sc= -4.62! C(o=-3.5!,f=-9.2!) USER MOD Set 4.3: A 70 HIS : no HE2:sc= 1.07 K(o=-3.5,f=-13!) USER MOD Single : A 13 CYS SG : rot 150:sc= -0.715 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -143:sc= 1.24 (180deg=0.93) USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= 1.21 (180deg=0.981) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.475 USER MOD Single : A 27 HIS : no HD1:sc= -1.45! K(o=-1.5!,f=-0.063) USER MOD Single : A 44 SER OG : rot -104:sc= 1.05 USER MOD Single : A 54 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.71) USER MOD Single : A 64 CYS SG : rot 28:sc= 1.11 USER MOD Single : A 65 MET CE :methyl -179:sc= -0.404 (180deg=-0.409) USER MOD Single : A 68 LYS NZ :NH3+ -169:sc= -0.0106 (180deg=-0.13) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 137:sc= 1.2 (180deg=0.281) USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 98 LYS NZ :NH3+ -178:sc= 1.18 (180deg=0.925) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 26:sc= 1.07 USER MOD Single : A 106 GLN : amide:sc= -0.255 K(o=-0.25,f=-0.87) USER MOD Single : A 108 HIS : no HD1:sc= -0.612 K(o=-0.61,f=-2.5) USER MOD Single : A 110 ASN : amide:sc= 0.177 K(o=0.18,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 8 -8.080 -8.187 -1.196 1.00 0.80 N ATOM 107 CA LEU A 8 -7.899 -6.812 -1.652 1.00 0.56 C ATOM 108 C LEU A 8 -7.498 -5.928 -0.482 1.00 0.48 C ATOM 109 O LEU A 8 -8.077 -4.868 -0.250 1.00 0.47 O ATOM 110 CB LEU A 8 -9.176 -6.282 -2.304 1.00 0.47 C ATOM 111 CG LEU A 8 -9.609 -7.023 -3.562 1.00 0.56 C ATOM 112 CD1 LEU A 8 -10.822 -6.354 -4.179 1.00 0.61 C ATOM 113 CD2 LEU A 8 -8.468 -7.086 -4.560 1.00 0.72 C ATOM 0 HA LEU A 8 -7.106 -6.796 -2.399 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -9.985 -6.329 -1.575 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -9.031 -5.230 -2.551 1.00 0.47 H new ATOM 0 HG LEU A 8 -9.881 -8.042 -3.288 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -11.119 -6.896 -5.077 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -11.644 -6.360 -3.463 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -10.576 -5.325 -4.441 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -8.795 -7.619 -5.453 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -8.166 -6.075 -4.831 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -7.623 -7.610 -4.114 1.00 0.72 H new ATOM 125 N ARG A 9 -6.495 -6.379 0.241 1.00 0.52 N ATOM 126 CA ARG A 9 -6.052 -5.720 1.448 1.00 0.51 C ATOM 127 C ARG A 9 -4.590 -5.327 1.316 1.00 0.43 C ATOM 128 O ARG A 9 -3.833 -5.978 0.596 1.00 0.47 O ATOM 129 CB ARG A 9 -6.259 -6.653 2.641 1.00 0.69 C ATOM 130 CG ARG A 9 -5.641 -8.030 2.454 1.00 1.15 C ATOM 131 CD ARG A 9 -5.930 -8.931 3.639 1.00 1.21 C ATOM 132 NE ARG A 9 -5.267 -10.227 3.518 1.00 1.84 N ATOM 133 CZ ARG A 9 -4.305 -10.644 4.340 1.00 2.23 C ATOM 134 NH1 ARG A 9 -3.841 -9.834 5.286 1.00 2.21 N ATOM 135 NH2 ARG A 9 -3.784 -11.855 4.197 1.00 3.09 N ATOM 0 H ARG A 9 -5.963 -7.217 0.006 1.00 0.52 H new ATOM 0 HA ARG A 9 -6.636 -4.813 1.607 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -5.832 -6.191 3.531 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -7.328 -6.766 2.822 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -6.032 -8.486 1.544 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -4.563 -7.932 2.323 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -5.602 -8.440 4.555 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -7.006 -9.081 3.726 1.00 1.21 H new ATOM 0 HE ARG A 9 -5.557 -10.847 2.762 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -4.221 -8.893 5.383 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -3.105 -10.154 5.915 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -4.120 -12.470 3.456 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -3.048 -12.171 4.828 1.00 3.09 H new ATOM 149 N PRO A 10 -4.182 -4.240 1.987 1.00 0.36 N ATOM 150 CA PRO A 10 -2.807 -3.758 1.934 1.00 0.30 C ATOM 151 C PRO A 10 -1.847 -4.701 2.641 1.00 0.28 C ATOM 152 O PRO A 10 -2.250 -5.493 3.497 1.00 0.38 O ATOM 153 CB PRO A 10 -2.871 -2.415 2.665 1.00 0.29 C ATOM 154 CG PRO A 10 -4.035 -2.541 3.580 1.00 0.47 C ATOM 155 CD PRO A 10 -5.026 -3.405 2.855 1.00 0.40 C ATOM 0 HA PRO A 10 -2.438 -3.681 0.911 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -1.952 -2.220 3.218 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -3.004 -1.589 1.966 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -3.741 -2.992 4.528 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.461 -1.564 3.810 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.613 -4.010 3.546 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -5.731 -2.808 2.276 1.00 0.40 H new ATOM 163 N ARG A 11 -0.584 -4.605 2.283 1.00 0.29 N ATOM 164 CA ARG A 11 0.448 -5.428 2.886 1.00 0.34 C ATOM 165 C ARG A 11 1.471 -4.546 3.596 1.00 0.27 C ATOM 166 O ARG A 11 1.944 -3.554 3.037 1.00 0.27 O ATOM 167 CB ARG A 11 1.122 -6.307 1.820 1.00 0.49 C ATOM 168 CG ARG A 11 1.697 -5.523 0.648 1.00 0.63 C ATOM 169 CD ARG A 11 2.266 -6.436 -0.431 1.00 1.00 C ATOM 170 NE ARG A 11 1.232 -7.248 -1.076 1.00 1.22 N ATOM 171 CZ ARG A 11 0.965 -7.212 -2.384 1.00 1.59 C ATOM 172 NH1 ARG A 11 1.610 -6.370 -3.178 1.00 1.95 N ATOM 173 NH2 ARG A 11 0.048 -8.020 -2.895 1.00 2.37 N ATOM 0 H ARG A 11 -0.243 -3.959 1.571 1.00 0.29 H new ATOM 0 HA ARG A 11 -0.009 -6.086 3.625 1.00 0.34 H new ATOM 0 HB2 ARG A 11 1.922 -6.880 2.289 1.00 0.49 H new ATOM 0 HB3 ARG A 11 0.394 -7.025 1.442 1.00 0.49 H new ATOM 0 HG2 ARG A 11 0.918 -4.895 0.216 1.00 0.63 H new ATOM 0 HG3 ARG A 11 2.481 -4.857 1.008 1.00 0.63 H new ATOM 0 HD2 ARG A 11 2.773 -5.832 -1.184 1.00 1.00 H new ATOM 0 HD3 ARG A 11 3.017 -7.092 0.010 1.00 1.00 H new ATOM 0 HE ARG A 11 0.683 -7.879 -0.492 1.00 1.22 H new ATOM 0 HH11 ARG A 11 2.316 -5.744 -2.791 1.00 1.95 H new ATOM 0 HH12 ARG A 11 1.401 -6.348 -4.176 1.00 1.95 H new ATOM 0 HH21 ARG A 11 -0.454 -8.669 -2.289 1.00 2.37 H new ATOM 0 HH22 ARG A 11 -0.156 -7.993 -3.894 1.00 2.37 H new ATOM 187 N LEU A 12 1.794 -4.896 4.833 1.00 0.29 N ATOM 188 CA LEU A 12 2.754 -4.129 5.614 1.00 0.26 C ATOM 189 C LEU A 12 4.125 -4.779 5.527 1.00 0.25 C ATOM 190 O LEU A 12 4.346 -5.868 6.056 1.00 0.32 O ATOM 191 CB LEU A 12 2.309 -4.032 7.078 1.00 0.34 C ATOM 192 CG LEU A 12 3.168 -3.124 7.967 1.00 0.60 C ATOM 193 CD1 LEU A 12 3.046 -1.671 7.533 1.00 1.32 C ATOM 194 CD2 LEU A 12 2.775 -3.272 9.430 1.00 1.28 C ATOM 0 H LEU A 12 1.406 -5.706 5.317 1.00 0.29 H new ATOM 0 HA LEU A 12 2.808 -3.120 5.205 1.00 0.26 H new ATOM 0 HB2 LEU A 12 1.281 -3.671 7.105 1.00 0.34 H new ATOM 0 HB3 LEU A 12 2.306 -5.034 7.507 1.00 0.34 H new ATOM 0 HG LEU A 12 4.208 -3.432 7.856 1.00 0.60 H new ATOM 0 HD11 LEU A 12 3.664 -1.046 8.178 1.00 1.32 H new ATOM 0 HD12 LEU A 12 3.381 -1.570 6.501 1.00 1.32 H new ATOM 0 HD13 LEU A 12 2.006 -1.355 7.609 1.00 1.32 H new ATOM 0 HD21 LEU A 12 3.397 -2.619 10.042 1.00 1.28 H new ATOM 0 HD22 LEU A 12 1.728 -2.997 9.555 1.00 1.28 H new ATOM 0 HD23 LEU A 12 2.918 -4.306 9.742 1.00 1.28 H new ATOM 206 N CYS A 13 5.037 -4.107 4.856 1.00 0.23 N ATOM 207 CA CYS A 13 6.377 -4.620 4.667 1.00 0.25 C ATOM 208 C CYS A 13 7.301 -4.069 5.739 1.00 0.22 C ATOM 209 O CYS A 13 7.511 -2.862 5.828 1.00 0.24 O ATOM 210 CB CYS A 13 6.883 -4.232 3.278 1.00 0.29 C ATOM 211 SG CYS A 13 5.726 -4.634 1.950 1.00 0.40 S ATOM 0 H CYS A 13 4.872 -3.196 4.429 1.00 0.23 H new ATOM 0 HA CYS A 13 6.362 -5.707 4.748 1.00 0.25 H new ATOM 0 HB2 CYS A 13 7.086 -3.161 3.260 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.829 -4.739 3.090 1.00 0.29 H new ATOM 0 HG CYS A 13 5.866 -3.781 0.979 1.00 0.40 H new ATOM 217 N THR A 14 7.844 -4.951 6.556 1.00 0.23 N ATOM 218 CA THR A 14 8.744 -4.531 7.615 1.00 0.24 C ATOM 219 C THR A 14 10.154 -4.994 7.289 1.00 0.22 C ATOM 220 O THR A 14 10.413 -6.195 7.191 1.00 0.25 O ATOM 221 CB THR A 14 8.305 -5.107 8.976 1.00 0.31 C ATOM 222 OG1 THR A 14 6.934 -4.770 9.227 1.00 0.35 O ATOM 223 CG2 THR A 14 9.176 -4.572 10.105 1.00 0.35 C ATOM 0 H THR A 14 7.680 -5.957 6.509 1.00 0.23 H new ATOM 0 HA THR A 14 8.718 -3.443 7.684 1.00 0.24 H new ATOM 0 HB THR A 14 8.417 -6.191 8.938 1.00 0.31 H new ATOM 0 HG1 THR A 14 6.659 -5.140 10.092 1.00 0.35 H new ATOM 0 HG21 THR A 14 8.843 -4.995 11.053 1.00 0.35 H new ATOM 0 HG22 THR A 14 10.214 -4.852 9.927 1.00 0.35 H new ATOM 0 HG23 THR A 14 9.094 -3.486 10.144 1.00 0.35 H new ATOM 231 N MET A 15 11.061 -4.046 7.125 1.00 0.20 N ATOM 232 CA MET A 15 12.411 -4.357 6.685 1.00 0.19 C ATOM 233 C MET A 15 13.438 -3.726 7.606 1.00 0.21 C ATOM 234 O MET A 15 13.302 -2.568 8.003 1.00 0.21 O ATOM 235 CB MET A 15 12.630 -3.878 5.246 1.00 0.21 C ATOM 236 CG MET A 15 12.352 -2.397 5.044 1.00 0.24 C ATOM 237 SD MET A 15 12.489 -1.884 3.320 1.00 0.88 S ATOM 238 CE MET A 15 11.114 -2.769 2.592 1.00 0.28 C ATOM 0 H MET A 15 10.887 -3.054 7.290 1.00 0.20 H new ATOM 0 HA MET A 15 12.536 -5.439 6.719 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.659 -4.088 4.956 1.00 0.21 H new ATOM 0 HB3 MET A 15 11.987 -4.453 4.580 1.00 0.21 H new ATOM 0 HG2 MET A 15 11.350 -2.168 5.407 1.00 0.24 H new ATOM 0 HG3 MET A 15 13.050 -1.816 5.647 1.00 0.24 H new ATOM 0 HE1 MET A 15 11.245 -2.820 1.511 1.00 0.28 H new ATOM 0 HE2 MET A 15 11.074 -3.779 3.001 1.00 0.28 H new ATOM 0 HE3 MET A 15 10.184 -2.248 2.820 1.00 0.28 H new ATOM 248 N LYS A 16 14.455 -4.497 7.942 1.00 0.29 N ATOM 249 CA LYS A 16 15.527 -4.022 8.794 1.00 0.37 C ATOM 250 C LYS A 16 16.801 -3.892 7.972 1.00 0.40 C ATOM 251 O LYS A 16 17.080 -4.731 7.113 1.00 0.48 O ATOM 252 CB LYS A 16 15.735 -4.984 9.964 1.00 0.50 C ATOM 253 CG LYS A 16 16.626 -4.425 11.058 1.00 0.90 C ATOM 254 CD LYS A 16 16.739 -5.385 12.230 1.00 1.09 C ATOM 255 CE LYS A 16 17.515 -4.768 13.383 1.00 1.96 C ATOM 256 NZ LYS A 16 18.887 -4.362 12.980 1.00 2.58 N ATOM 0 H LYS A 16 14.561 -5.464 7.634 1.00 0.29 H new ATOM 0 HA LYS A 16 15.265 -3.045 9.201 1.00 0.37 H new ATOM 0 HB2 LYS A 16 14.765 -5.238 10.391 1.00 0.50 H new ATOM 0 HB3 LYS A 16 16.171 -5.910 9.589 1.00 0.50 H new ATOM 0 HG2 LYS A 16 17.618 -4.225 10.654 1.00 0.90 H new ATOM 0 HG3 LYS A 16 16.225 -3.472 11.404 1.00 0.90 H new ATOM 0 HD2 LYS A 16 15.742 -5.665 12.570 1.00 1.09 H new ATOM 0 HD3 LYS A 16 17.234 -6.300 11.905 1.00 1.09 H new ATOM 0 HE2 LYS A 16 16.976 -3.898 13.758 1.00 1.96 H new ATOM 0 HE3 LYS A 16 17.575 -5.484 14.203 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 19.547 -4.545 13.763 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 19.180 -4.909 12.145 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 18.895 -3.348 12.750 1.00 2.58 H new ATOM 270 N LYS A 17 17.551 -2.830 8.223 1.00 0.41 N ATOM 271 CA LYS A 17 18.722 -2.509 7.430 1.00 0.50 C ATOM 272 C LYS A 17 19.786 -3.595 7.504 1.00 0.60 C ATOM 273 O LYS A 17 20.241 -3.970 8.589 1.00 0.67 O ATOM 274 CB LYS A 17 19.311 -1.188 7.901 1.00 0.51 C ATOM 275 CG LYS A 17 19.715 -0.278 6.765 1.00 0.52 C ATOM 276 CD LYS A 17 20.200 1.062 7.284 1.00 0.53 C ATOM 277 CE LYS A 17 19.075 1.833 7.954 1.00 0.62 C ATOM 278 NZ LYS A 17 19.583 3.015 8.696 1.00 0.92 N ATOM 0 H LYS A 17 17.364 -2.171 8.979 1.00 0.41 H new ATOM 0 HA LYS A 17 18.402 -2.433 6.391 1.00 0.50 H new ATOM 0 HB2 LYS A 17 18.581 -0.675 8.527 1.00 0.51 H new ATOM 0 HB3 LYS A 17 20.182 -1.388 8.525 1.00 0.51 H new ATOM 0 HG2 LYS A 17 20.503 -0.751 6.179 1.00 0.52 H new ATOM 0 HG3 LYS A 17 18.867 -0.127 6.097 1.00 0.52 H new ATOM 0 HD2 LYS A 17 21.012 0.907 7.995 1.00 0.53 H new ATOM 0 HD3 LYS A 17 20.606 1.649 6.460 1.00 0.53 H new ATOM 0 HE2 LYS A 17 18.358 2.158 7.200 1.00 0.62 H new ATOM 0 HE3 LYS A 17 18.541 1.175 8.640 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 18.850 3.355 9.351 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 20.432 2.748 9.235 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 19.823 3.770 8.023 1.00 0.92 H new ATOM 292 N GLY A 18 20.178 -4.094 6.340 1.00 0.68 N ATOM 293 CA GLY A 18 21.268 -5.034 6.261 1.00 0.85 C ATOM 294 C GLY A 18 22.515 -4.385 5.699 1.00 1.05 C ATOM 295 O GLY A 18 22.713 -3.181 5.865 1.00 1.28 O ATOM 0 H GLY A 18 19.753 -3.859 5.443 1.00 0.68 H new ATOM 0 HA2 GLY A 18 21.479 -5.433 7.253 1.00 0.85 H new ATOM 0 HA3 GLY A 18 20.979 -5.877 5.633 1.00 0.85 H new ATOM 299 N PRO A 19 23.362 -5.153 5.006 1.00 1.24 N ATOM 300 CA PRO A 19 24.630 -4.654 4.458 1.00 1.57 C ATOM 301 C PRO A 19 24.424 -3.698 3.285 1.00 1.57 C ATOM 302 O PRO A 19 25.224 -2.788 3.058 1.00 2.23 O ATOM 303 CB PRO A 19 25.350 -5.927 3.987 1.00 1.91 C ATOM 304 CG PRO A 19 24.571 -7.070 4.557 1.00 1.86 C ATOM 305 CD PRO A 19 23.164 -6.574 4.710 1.00 1.40 C ATOM 0 HA PRO A 19 25.189 -4.082 5.198 1.00 1.57 H new ATOM 0 HB2 PRO A 19 25.381 -5.979 2.899 1.00 1.91 H new ATOM 0 HB3 PRO A 19 26.382 -5.944 4.336 1.00 1.91 H new ATOM 0 HG2 PRO A 19 24.610 -7.937 3.897 1.00 1.86 H new ATOM 0 HG3 PRO A 19 24.982 -7.382 5.517 1.00 1.86 H new ATOM 0 HD2 PRO A 19 22.580 -6.722 3.802 1.00 1.40 H new ATOM 0 HD3 PRO A 19 22.638 -7.087 5.515 1.00 1.40 H new ATOM 313 N SER A 20 23.350 -3.910 2.538 1.00 1.40 N ATOM 314 CA SER A 20 23.050 -3.081 1.379 1.00 1.65 C ATOM 315 C SER A 20 21.842 -2.188 1.656 1.00 1.43 C ATOM 316 O SER A 20 21.204 -1.688 0.730 1.00 1.93 O ATOM 317 CB SER A 20 22.775 -3.965 0.160 1.00 2.14 C ATOM 318 OG SER A 20 23.833 -4.886 -0.059 1.00 2.87 O ATOM 0 H SER A 20 22.671 -4.650 2.714 1.00 1.40 H new ATOM 0 HA SER A 20 23.913 -2.447 1.175 1.00 1.65 H new ATOM 0 HB2 SER A 20 21.841 -4.508 0.305 1.00 2.14 H new ATOM 0 HB3 SER A 20 22.646 -3.340 -0.723 1.00 2.14 H new ATOM 0 HG SER A 20 23.629 -5.438 -0.843 1.00 2.87 H new ATOM 324 N GLY A 21 21.536 -1.989 2.932 1.00 1.04 N ATOM 325 CA GLY A 21 20.370 -1.213 3.297 1.00 0.94 C ATOM 326 C GLY A 21 19.103 -2.025 3.211 1.00 0.97 C ATOM 327 O GLY A 21 18.880 -2.922 4.025 1.00 1.93 O ATOM 0 H GLY A 21 22.075 -2.351 3.719 1.00 1.04 H new ATOM 0 HA2 GLY A 21 20.490 -0.834 4.312 1.00 0.94 H new ATOM 0 HA3 GLY A 21 20.291 -0.347 2.640 1.00 0.94 H new ATOM 331 N TYR A 22 18.279 -1.727 2.220 1.00 0.74 N ATOM 332 CA TYR A 22 17.006 -2.410 2.065 1.00 0.70 C ATOM 333 C TYR A 22 16.951 -3.143 0.726 1.00 0.89 C ATOM 334 O TYR A 22 16.581 -4.314 0.665 1.00 1.82 O ATOM 335 CB TYR A 22 15.855 -1.412 2.181 1.00 0.64 C ATOM 336 CG TYR A 22 15.922 -0.538 3.420 1.00 0.50 C ATOM 337 CD1 TYR A 22 15.978 -1.094 4.694 1.00 0.47 C ATOM 338 CD2 TYR A 22 15.915 0.846 3.313 1.00 0.55 C ATOM 339 CE1 TYR A 22 16.025 -0.294 5.820 1.00 0.46 C ATOM 340 CE2 TYR A 22 15.966 1.652 4.433 1.00 0.54 C ATOM 341 CZ TYR A 22 16.020 1.077 5.683 1.00 0.46 C ATOM 342 OH TYR A 22 16.066 1.879 6.800 1.00 0.59 O ATOM 0 H TYR A 22 18.469 -1.018 1.512 1.00 0.74 H new ATOM 0 HA TYR A 22 16.906 -3.148 2.861 1.00 0.70 H new ATOM 0 HB2 TYR A 22 15.850 -0.773 1.298 1.00 0.64 H new ATOM 0 HB3 TYR A 22 14.912 -1.959 2.184 1.00 0.64 H new ATOM 0 HD1 TYR A 22 15.985 -2.168 4.805 1.00 0.47 H new ATOM 0 HD2 TYR A 22 15.869 1.301 2.335 1.00 0.55 H new ATOM 0 HE1 TYR A 22 16.065 -0.741 6.802 1.00 0.46 H new ATOM 0 HE2 TYR A 22 15.964 2.727 4.329 1.00 0.54 H new ATOM 0 HH TYR A 22 16.056 2.820 6.527 1.00 0.59 H new ATOM 352 N GLY A 23 17.314 -2.444 -0.341 1.00 0.43 N ATOM 353 CA GLY A 23 17.423 -3.073 -1.646 1.00 0.42 C ATOM 354 C GLY A 23 16.134 -3.037 -2.449 1.00 0.39 C ATOM 355 O GLY A 23 15.495 -4.069 -2.663 1.00 0.39 O ATOM 0 H GLY A 23 17.536 -1.449 -0.327 1.00 0.43 H new ATOM 0 HA2 GLY A 23 18.209 -2.576 -2.215 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.731 -4.110 -1.515 1.00 0.42 H new ATOM 359 N PHE A 24 15.752 -1.854 -2.903 1.00 0.37 N ATOM 360 CA PHE A 24 14.596 -1.704 -3.779 1.00 0.36 C ATOM 361 C PHE A 24 14.720 -0.422 -4.586 1.00 0.38 C ATOM 362 O PHE A 24 15.418 0.507 -4.181 1.00 0.40 O ATOM 363 CB PHE A 24 13.282 -1.712 -2.978 1.00 0.34 C ATOM 364 CG PHE A 24 13.144 -0.586 -1.985 1.00 0.32 C ATOM 365 CD1 PHE A 24 13.633 -0.716 -0.694 1.00 0.33 C ATOM 366 CD2 PHE A 24 12.515 0.597 -2.342 1.00 0.34 C ATOM 367 CE1 PHE A 24 13.499 0.312 0.221 1.00 0.35 C ATOM 368 CE2 PHE A 24 12.377 1.627 -1.432 1.00 0.36 C ATOM 369 CZ PHE A 24 12.871 1.484 -0.148 1.00 0.36 C ATOM 0 H PHE A 24 16.226 -0.979 -2.679 1.00 0.37 H new ATOM 0 HA PHE A 24 14.572 -2.554 -4.461 1.00 0.36 H new ATOM 0 HB2 PHE A 24 12.446 -1.667 -3.676 1.00 0.34 H new ATOM 0 HB3 PHE A 24 13.202 -2.660 -2.446 1.00 0.34 H new ATOM 0 HD1 PHE A 24 14.125 -1.631 -0.400 1.00 0.33 H new ATOM 0 HD2 PHE A 24 12.128 0.715 -3.344 1.00 0.34 H new ATOM 0 HE1 PHE A 24 13.885 0.198 1.223 1.00 0.35 H new ATOM 0 HE2 PHE A 24 11.884 2.543 -1.723 1.00 0.36 H new ATOM 0 HZ PHE A 24 12.765 2.288 0.565 1.00 0.36 H new ATOM 379 N ASN A 25 14.056 -0.376 -5.727 1.00 0.43 N ATOM 380 CA ASN A 25 14.053 0.820 -6.553 1.00 0.46 C ATOM 381 C ASN A 25 12.750 1.573 -6.363 1.00 0.42 C ATOM 382 O ASN A 25 11.666 1.005 -6.522 1.00 0.39 O ATOM 383 CB ASN A 25 14.246 0.470 -8.030 1.00 0.51 C ATOM 384 CG ASN A 25 15.618 -0.106 -8.314 1.00 1.23 C ATOM 385 OD1 ASN A 25 16.574 0.629 -8.553 1.00 2.18 O ATOM 386 ND2 ASN A 25 15.725 -1.426 -8.296 1.00 1.65 N ATOM 0 H ASN A 25 13.512 -1.152 -6.103 1.00 0.43 H new ATOM 0 HA ASN A 25 14.885 1.452 -6.244 1.00 0.46 H new ATOM 0 HB2 ASN A 25 13.484 -0.248 -8.333 1.00 0.51 H new ATOM 0 HB3 ASN A 25 14.099 1.365 -8.635 1.00 0.51 H new ATOM 0 HD21 ASN A 25 16.625 -1.867 -8.485 1.00 1.65 H new ATOM 0 HD22 ASN A 25 14.907 -2.001 -8.093 1.00 1.65 H new ATOM 393 N LEU A 26 12.861 2.845 -6.033 1.00 0.50 N ATOM 394 CA LEU A 26 11.701 3.666 -5.727 1.00 0.52 C ATOM 395 C LEU A 26 11.328 4.527 -6.926 1.00 0.55 C ATOM 396 O LEU A 26 12.181 4.870 -7.745 1.00 0.73 O ATOM 397 CB LEU A 26 11.989 4.547 -4.509 1.00 0.69 C ATOM 398 CG LEU A 26 10.771 5.250 -3.907 1.00 0.87 C ATOM 399 CD1 LEU A 26 9.763 4.228 -3.400 1.00 1.52 C ATOM 400 CD2 LEU A 26 11.200 6.182 -2.783 1.00 1.48 C ATOM 0 H LEU A 26 13.752 3.338 -5.969 1.00 0.50 H new ATOM 0 HA LEU A 26 10.860 3.012 -5.497 1.00 0.52 H new ATOM 0 HB2 LEU A 26 12.451 3.931 -3.737 1.00 0.69 H new ATOM 0 HB3 LEU A 26 12.721 5.303 -4.793 1.00 0.69 H new ATOM 0 HG LEU A 26 10.293 5.845 -4.685 1.00 0.87 H new ATOM 0 HD11 LEU A 26 8.903 4.745 -2.975 1.00 1.52 H new ATOM 0 HD12 LEU A 26 9.435 3.599 -4.227 1.00 1.52 H new ATOM 0 HD13 LEU A 26 10.228 3.607 -2.634 1.00 1.52 H new ATOM 0 HD21 LEU A 26 10.323 6.675 -2.364 1.00 1.48 H new ATOM 0 HD22 LEU A 26 11.699 5.606 -2.004 1.00 1.48 H new ATOM 0 HD23 LEU A 26 11.886 6.933 -3.175 1.00 1.48 H new ATOM 412 N HIS A 27 10.055 4.878 -7.023 1.00 0.56 N ATOM 413 CA HIS A 27 9.556 5.628 -8.164 1.00 0.67 C ATOM 414 C HIS A 27 9.276 7.065 -7.762 1.00 0.68 C ATOM 415 O HIS A 27 8.498 7.323 -6.842 1.00 0.95 O ATOM 416 CB HIS A 27 8.265 4.998 -8.686 1.00 1.23 C ATOM 417 CG HIS A 27 8.290 4.671 -10.142 1.00 0.70 C ATOM 418 ND1 HIS A 27 7.853 5.531 -11.122 1.00 0.97 N ATOM 419 CD2 HIS A 27 8.699 3.554 -10.780 1.00 0.81 C ATOM 420 CE1 HIS A 27 8.000 4.958 -12.301 1.00 1.30 C ATOM 421 NE2 HIS A 27 8.512 3.757 -12.123 1.00 1.34 N ATOM 0 H HIS A 27 9.347 4.655 -6.323 1.00 0.56 H new ATOM 0 HA HIS A 27 10.314 5.608 -8.947 1.00 0.67 H new ATOM 0 HB2 HIS A 27 8.066 4.086 -8.123 1.00 1.23 H new ATOM 0 HB3 HIS A 27 7.437 5.680 -8.492 1.00 1.23 H new ATOM 0 HD2 HIS A 27 9.100 2.664 -10.318 1.00 0.81 H new ATOM 0 HE1 HIS A 27 7.744 5.399 -13.253 1.00 1.30 H new ATOM 0 HE2 HIS A 27 8.733 3.089 -12.862 1.00 1.34 H new ATOM 430 N SER A 28 9.915 7.990 -8.453 1.00 0.75 N ATOM 431 CA SER A 28 9.761 9.399 -8.165 1.00 1.14 C ATOM 432 C SER A 28 9.048 10.090 -9.316 1.00 1.03 C ATOM 433 O SER A 28 9.678 10.693 -10.190 1.00 1.34 O ATOM 434 CB SER A 28 11.128 10.036 -7.921 1.00 1.74 C ATOM 435 OG SER A 28 11.009 11.349 -7.400 1.00 2.30 O ATOM 0 H SER A 28 10.551 7.786 -9.224 1.00 0.75 H new ATOM 0 HA SER A 28 9.159 9.515 -7.264 1.00 1.14 H new ATOM 0 HB2 SER A 28 11.698 9.419 -7.226 1.00 1.74 H new ATOM 0 HB3 SER A 28 11.688 10.065 -8.856 1.00 1.74 H new ATOM 0 HG SER A 28 11.902 11.725 -7.255 1.00 2.30 H new ATOM 529 N GLN A 35 4.022 7.353 -4.073 1.00 0.74 N ATOM 530 CA GLN A 35 5.246 6.649 -4.396 1.00 0.59 C ATOM 531 C GLN A 35 4.960 5.223 -4.852 1.00 0.52 C ATOM 532 O GLN A 35 4.096 4.544 -4.296 1.00 0.58 O ATOM 533 CB GLN A 35 6.168 6.647 -3.183 1.00 0.58 C ATOM 534 CG GLN A 35 7.593 7.062 -3.497 1.00 0.82 C ATOM 535 CD GLN A 35 7.751 8.543 -3.813 1.00 0.75 C ATOM 536 OE1 GLN A 35 8.794 9.127 -3.539 1.00 1.50 O ATOM 537 NE2 GLN A 35 6.740 9.159 -4.408 1.00 0.78 N ATOM 0 HA GLN A 35 5.736 7.166 -5.221 1.00 0.59 H new ATOM 0 HB2 GLN A 35 5.761 7.320 -2.428 1.00 0.58 H new ATOM 0 HB3 GLN A 35 6.178 5.648 -2.747 1.00 0.58 H new ATOM 0 HG2 GLN A 35 8.229 6.812 -2.648 1.00 0.82 H new ATOM 0 HG3 GLN A 35 7.952 6.480 -4.346 1.00 0.82 H new ATOM 0 HE21 GLN A 35 5.885 8.646 -4.623 1.00 0.78 H new ATOM 0 HE22 GLN A 35 6.817 10.147 -4.651 1.00 0.78 H new ATOM 546 N PHE A 36 5.688 4.775 -5.866 1.00 0.47 N ATOM 547 CA PHE A 36 5.494 3.444 -6.425 1.00 0.43 C ATOM 548 C PHE A 36 6.766 2.622 -6.270 1.00 0.39 C ATOM 549 O PHE A 36 7.859 3.178 -6.139 1.00 0.45 O ATOM 550 CB PHE A 36 5.130 3.534 -7.911 1.00 0.48 C ATOM 551 CG PHE A 36 3.990 4.467 -8.211 1.00 0.58 C ATOM 552 CD1 PHE A 36 2.684 4.012 -8.203 1.00 0.68 C ATOM 553 CD2 PHE A 36 4.227 5.802 -8.502 1.00 0.70 C ATOM 554 CE1 PHE A 36 1.635 4.868 -8.478 1.00 0.81 C ATOM 555 CE2 PHE A 36 3.182 6.662 -8.776 1.00 0.83 C ATOM 556 CZ PHE A 36 1.885 6.195 -8.763 1.00 0.87 C ATOM 0 H PHE A 36 6.423 5.318 -6.320 1.00 0.47 H new ATOM 0 HA PHE A 36 4.679 2.962 -5.885 1.00 0.43 H new ATOM 0 HB2 PHE A 36 6.008 3.859 -8.469 1.00 0.48 H new ATOM 0 HB3 PHE A 36 4.874 2.538 -8.272 1.00 0.48 H new ATOM 0 HD1 PHE A 36 2.482 2.975 -7.979 1.00 0.68 H new ATOM 0 HD2 PHE A 36 5.241 6.173 -8.514 1.00 0.70 H new ATOM 0 HE1 PHE A 36 0.620 4.499 -8.470 1.00 0.81 H new ATOM 0 HE2 PHE A 36 3.381 7.700 -9.000 1.00 0.83 H new ATOM 0 HZ PHE A 36 1.066 6.866 -8.975 1.00 0.87 H new ATOM 566 N ILE A 37 6.623 1.307 -6.280 1.00 0.36 N ATOM 567 CA ILE A 37 7.771 0.420 -6.236 1.00 0.33 C ATOM 568 C ILE A 37 8.138 -0.015 -7.647 1.00 0.33 C ATOM 569 O ILE A 37 7.406 -0.769 -8.293 1.00 0.38 O ATOM 570 CB ILE A 37 7.509 -0.830 -5.366 1.00 0.34 C ATOM 571 CG1 ILE A 37 7.035 -0.417 -3.967 1.00 0.39 C ATOM 572 CG2 ILE A 37 8.767 -1.688 -5.270 1.00 0.33 C ATOM 573 CD1 ILE A 37 8.021 0.457 -3.216 1.00 0.38 C ATOM 0 H ILE A 37 5.722 0.831 -6.318 1.00 0.36 H new ATOM 0 HA ILE A 37 8.594 0.974 -5.784 1.00 0.33 H new ATOM 0 HB ILE A 37 6.724 -1.421 -5.838 1.00 0.34 H new ATOM 0 HG12 ILE A 37 6.088 0.116 -4.058 1.00 0.39 H new ATOM 0 HG13 ILE A 37 6.841 -1.315 -3.380 1.00 0.39 H new ATOM 0 HG21 ILE A 37 8.564 -2.564 -4.654 1.00 0.33 H new ATOM 0 HG22 ILE A 37 9.066 -2.008 -6.268 1.00 0.33 H new ATOM 0 HG23 ILE A 37 9.571 -1.106 -4.820 1.00 0.33 H new ATOM 0 HD11 ILE A 37 7.613 0.706 -2.236 1.00 0.38 H new ATOM 0 HD12 ILE A 37 8.962 -0.080 -3.092 1.00 0.38 H new ATOM 0 HD13 ILE A 37 8.198 1.373 -3.779 1.00 0.38 H new ATOM 585 N ARG A 38 9.274 0.486 -8.115 1.00 0.34 N ATOM 586 CA ARG A 38 9.768 0.187 -9.453 1.00 0.41 C ATOM 587 C ARG A 38 10.136 -1.285 -9.565 1.00 0.40 C ATOM 588 O ARG A 38 9.633 -1.998 -10.434 1.00 0.49 O ATOM 589 CB ARG A 38 10.977 1.076 -9.763 1.00 0.50 C ATOM 590 CG ARG A 38 11.648 0.783 -11.095 1.00 0.67 C ATOM 591 CD ARG A 38 12.815 1.727 -11.332 1.00 1.24 C ATOM 592 NE ARG A 38 13.662 1.301 -12.447 1.00 1.56 N ATOM 593 CZ ARG A 38 14.923 1.700 -12.610 1.00 2.17 C ATOM 594 NH1 ARG A 38 15.455 2.578 -11.767 1.00 2.83 N ATOM 595 NH2 ARG A 38 15.646 1.237 -13.624 1.00 2.62 N ATOM 0 H ARG A 38 9.878 1.110 -7.579 1.00 0.34 H new ATOM 0 HA ARG A 38 8.984 0.394 -10.181 1.00 0.41 H new ATOM 0 HB2 ARG A 38 10.658 2.118 -9.752 1.00 0.50 H new ATOM 0 HB3 ARG A 38 11.712 0.959 -8.967 1.00 0.50 H new ATOM 0 HG2 ARG A 38 12.000 -0.248 -11.111 1.00 0.67 H new ATOM 0 HG3 ARG A 38 10.923 0.884 -11.902 1.00 0.67 H new ATOM 0 HD2 ARG A 38 12.434 2.728 -11.531 1.00 1.24 H new ATOM 0 HD3 ARG A 38 13.417 1.790 -10.426 1.00 1.24 H new ATOM 0 HE ARG A 38 13.265 0.664 -13.137 1.00 1.56 H new ATOM 0 HH11 ARG A 38 14.898 2.946 -10.996 1.00 2.83 H new ATOM 0 HH12 ARG A 38 16.420 2.884 -11.891 1.00 2.83 H new ATOM 0 HH21 ARG A 38 15.236 0.574 -14.281 1.00 2.62 H new ATOM 0 HH22 ARG A 38 16.611 1.545 -13.745 1.00 2.62 H new ATOM 609 N SER A 39 11.002 -1.733 -8.668 1.00 0.36 N ATOM 610 CA SER A 39 11.425 -3.119 -8.633 1.00 0.40 C ATOM 611 C SER A 39 12.210 -3.381 -7.356 1.00 0.32 C ATOM 612 O SER A 39 13.004 -2.545 -6.924 1.00 0.37 O ATOM 613 CB SER A 39 12.277 -3.453 -9.863 1.00 0.54 C ATOM 614 OG SER A 39 13.405 -2.598 -9.954 1.00 1.26 O ATOM 0 H SER A 39 11.427 -1.147 -7.949 1.00 0.36 H new ATOM 0 HA SER A 39 10.543 -3.759 -8.647 1.00 0.40 H new ATOM 0 HB2 SER A 39 12.607 -4.490 -9.809 1.00 0.54 H new ATOM 0 HB3 SER A 39 11.672 -3.358 -10.764 1.00 0.54 H new ATOM 0 HG SER A 39 13.931 -2.834 -10.746 1.00 1.26 H new ATOM 620 N VAL A 40 11.971 -4.525 -6.747 1.00 0.36 N ATOM 621 CA VAL A 40 12.671 -4.897 -5.528 1.00 0.30 C ATOM 622 C VAL A 40 13.859 -5.794 -5.862 1.00 0.31 C ATOM 623 O VAL A 40 13.764 -6.666 -6.728 1.00 0.37 O ATOM 624 CB VAL A 40 11.715 -5.594 -4.527 1.00 0.33 C ATOM 625 CG1 VAL A 40 10.971 -6.741 -5.189 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.465 -6.082 -3.297 1.00 0.32 C ATOM 0 H VAL A 40 11.296 -5.216 -7.075 1.00 0.36 H new ATOM 0 HA VAL A 40 13.042 -3.990 -5.051 1.00 0.30 H new ATOM 0 HB VAL A 40 10.982 -4.854 -4.204 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.308 -7.212 -4.463 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.383 -6.360 -6.024 1.00 0.37 H new ATOM 0 HG13 VAL A 40 11.688 -7.476 -5.556 1.00 0.37 H new ATOM 0 HG21 VAL A 40 11.767 -6.566 -2.614 1.00 0.32 H new ATOM 0 HG22 VAL A 40 13.232 -6.795 -3.598 1.00 0.32 H new ATOM 0 HG23 VAL A 40 12.934 -5.235 -2.797 1.00 0.32 H new ATOM 636 N ASP A 41 14.987 -5.551 -5.202 1.00 0.35 N ATOM 637 CA ASP A 41 16.199 -6.320 -5.446 1.00 0.45 C ATOM 638 C ASP A 41 16.024 -7.726 -4.877 1.00 0.48 C ATOM 639 O ASP A 41 15.708 -7.890 -3.703 1.00 0.51 O ATOM 640 CB ASP A 41 17.408 -5.622 -4.806 1.00 0.54 C ATOM 641 CG ASP A 41 18.721 -5.987 -5.474 1.00 1.27 C ATOM 642 OD1 ASP A 41 19.299 -7.039 -5.120 1.00 2.28 O ATOM 643 OD2 ASP A 41 19.173 -5.242 -6.363 1.00 1.32 O ATOM 0 H ASP A 41 15.085 -4.825 -4.492 1.00 0.35 H new ATOM 0 HA ASP A 41 16.378 -6.389 -6.519 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.267 -4.542 -4.858 1.00 0.54 H new ATOM 0 HB3 ASP A 41 17.457 -5.887 -3.750 1.00 0.54 H new ATOM 648 N PRO A 42 16.199 -8.754 -5.713 1.00 0.58 N ATOM 649 CA PRO A 42 15.921 -10.149 -5.340 1.00 0.69 C ATOM 650 C PRO A 42 16.685 -10.619 -4.106 1.00 0.69 C ATOM 651 O PRO A 42 17.895 -10.405 -3.982 1.00 1.17 O ATOM 652 CB PRO A 42 16.351 -10.947 -6.574 1.00 0.84 C ATOM 653 CG PRO A 42 16.320 -9.970 -7.696 1.00 0.93 C ATOM 654 CD PRO A 42 16.681 -8.642 -7.096 1.00 0.69 C ATOM 0 HA PRO A 42 14.873 -10.278 -5.069 1.00 0.69 H new ATOM 0 HB2 PRO A 42 17.348 -11.367 -6.444 1.00 0.84 H new ATOM 0 HB3 PRO A 42 15.675 -11.782 -6.759 1.00 0.84 H new ATOM 0 HG2 PRO A 42 17.026 -10.250 -8.478 1.00 0.93 H new ATOM 0 HG3 PRO A 42 15.333 -9.935 -8.156 1.00 0.93 H new ATOM 0 HD2 PRO A 42 17.755 -8.462 -7.134 1.00 0.69 H new ATOM 0 HD3 PRO A 42 16.201 -7.818 -7.624 1.00 0.69 H new ATOM 662 N ASP A 43 15.946 -11.262 -3.200 1.00 0.75 N ATOM 663 CA ASP A 43 16.489 -11.798 -1.951 1.00 0.87 C ATOM 664 C ASP A 43 17.154 -10.697 -1.129 1.00 0.70 C ATOM 665 O ASP A 43 18.292 -10.826 -0.681 1.00 0.86 O ATOM 666 CB ASP A 43 17.469 -12.947 -2.223 1.00 1.14 C ATOM 667 CG ASP A 43 17.794 -13.740 -0.970 1.00 1.69 C ATOM 668 OD1 ASP A 43 16.911 -14.465 -0.466 1.00 1.92 O ATOM 669 OD2 ASP A 43 18.938 -13.634 -0.479 1.00 2.40 O ATOM 0 H ASP A 43 14.946 -11.427 -3.314 1.00 0.75 H new ATOM 0 HA ASP A 43 15.658 -12.198 -1.370 1.00 0.87 H new ATOM 0 HB2 ASP A 43 17.043 -13.615 -2.972 1.00 1.14 H new ATOM 0 HB3 ASP A 43 18.390 -12.543 -2.643 1.00 1.14 H new ATOM 674 N SER A 44 16.448 -9.595 -0.971 1.00 0.57 N ATOM 675 CA SER A 44 16.900 -8.516 -0.104 1.00 0.48 C ATOM 676 C SER A 44 16.002 -8.424 1.125 1.00 0.40 C ATOM 677 O SER A 44 14.962 -9.086 1.173 1.00 0.39 O ATOM 678 CB SER A 44 16.873 -7.193 -0.866 1.00 0.47 C ATOM 679 OG SER A 44 15.562 -6.910 -1.325 1.00 0.46 O ATOM 0 H SER A 44 15.555 -9.419 -1.432 1.00 0.57 H new ATOM 0 HA SER A 44 17.921 -8.723 0.217 1.00 0.48 H new ATOM 0 HB2 SER A 44 17.220 -6.387 -0.219 1.00 0.47 H new ATOM 0 HB3 SER A 44 17.558 -7.240 -1.712 1.00 0.47 H new ATOM 0 HG SER A 44 15.508 -7.084 -2.288 1.00 0.46 H new ATOM 685 N PRO A 45 16.380 -7.633 2.143 1.00 0.43 N ATOM 686 CA PRO A 45 15.493 -7.346 3.268 1.00 0.45 C ATOM 687 C PRO A 45 14.157 -6.769 2.791 1.00 0.38 C ATOM 688 O PRO A 45 13.109 -7.024 3.386 1.00 0.39 O ATOM 689 CB PRO A 45 16.263 -6.319 4.114 1.00 0.57 C ATOM 690 CG PRO A 45 17.423 -5.887 3.276 1.00 0.65 C ATOM 691 CD PRO A 45 17.698 -7.004 2.310 1.00 0.52 C ATOM 0 HA PRO A 45 15.243 -8.245 3.831 1.00 0.45 H new ATOM 0 HB2 PRO A 45 15.629 -5.470 4.371 1.00 0.57 H new ATOM 0 HB3 PRO A 45 16.601 -6.760 5.052 1.00 0.57 H new ATOM 0 HG2 PRO A 45 17.194 -4.963 2.744 1.00 0.65 H new ATOM 0 HG3 PRO A 45 18.296 -5.689 3.897 1.00 0.65 H new ATOM 0 HD2 PRO A 45 18.089 -6.631 1.364 1.00 0.52 H new ATOM 0 HD3 PRO A 45 18.433 -7.706 2.704 1.00 0.52 H new ATOM 699 N ALA A 46 14.205 -6.009 1.700 1.00 0.35 N ATOM 700 CA ALA A 46 13.006 -5.466 1.075 1.00 0.33 C ATOM 701 C ALA A 46 12.087 -6.587 0.619 1.00 0.30 C ATOM 702 O ALA A 46 10.889 -6.583 0.889 1.00 0.31 O ATOM 703 CB ALA A 46 13.387 -4.618 -0.117 1.00 0.36 C ATOM 0 H ALA A 46 15.072 -5.754 1.228 1.00 0.35 H new ATOM 0 HA ALA A 46 12.482 -4.854 1.810 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.486 -4.215 -0.580 1.00 0.36 H new ATOM 0 HB2 ALA A 46 14.025 -3.797 0.210 1.00 0.36 H new ATOM 0 HB3 ALA A 46 13.925 -5.230 -0.842 1.00 0.36 H new ATOM 709 N GLU A 47 12.669 -7.545 -0.074 1.00 0.31 N ATOM 710 CA GLU A 47 11.951 -8.726 -0.526 1.00 0.33 C ATOM 711 C GLU A 47 11.401 -9.474 0.649 1.00 0.34 C ATOM 712 O GLU A 47 10.222 -9.813 0.709 1.00 0.40 O ATOM 713 CB GLU A 47 12.927 -9.637 -1.222 1.00 0.40 C ATOM 714 CG GLU A 47 12.312 -10.859 -1.881 1.00 0.53 C ATOM 715 CD GLU A 47 11.457 -10.518 -3.084 1.00 1.12 C ATOM 716 OE1 GLU A 47 12.024 -10.315 -4.178 1.00 1.51 O ATOM 717 OE2 GLU A 47 10.215 -10.486 -2.950 1.00 2.01 O ATOM 0 H GLU A 47 13.653 -7.529 -0.341 1.00 0.31 H new ATOM 0 HA GLU A 47 11.141 -8.420 -1.188 1.00 0.33 H new ATOM 0 HB2 GLU A 47 13.458 -9.063 -1.981 1.00 0.40 H new ATOM 0 HB3 GLU A 47 13.670 -9.970 -0.497 1.00 0.40 H new ATOM 0 HG2 GLU A 47 13.108 -11.538 -2.189 1.00 0.53 H new ATOM 0 HG3 GLU A 47 11.704 -11.392 -1.150 1.00 0.53 H new ATOM 724 N ALA A 48 12.292 -9.714 1.588 1.00 0.34 N ATOM 725 CA ALA A 48 11.982 -10.514 2.742 1.00 0.38 C ATOM 726 C ALA A 48 10.891 -9.865 3.592 1.00 0.37 C ATOM 727 O ALA A 48 10.270 -10.516 4.429 1.00 0.47 O ATOM 728 CB ALA A 48 13.232 -10.770 3.571 1.00 0.44 C ATOM 0 H ALA A 48 13.248 -9.359 1.568 1.00 0.34 H new ATOM 0 HA ALA A 48 11.601 -11.473 2.390 1.00 0.38 H new ATOM 0 HB1 ALA A 48 12.975 -11.377 4.439 1.00 0.44 H new ATOM 0 HB2 ALA A 48 13.969 -11.297 2.965 1.00 0.44 H new ATOM 0 HB3 ALA A 48 13.649 -9.819 3.904 1.00 0.44 H new ATOM 734 N SER A 49 10.667 -8.572 3.375 1.00 0.31 N ATOM 735 CA SER A 49 9.643 -7.852 4.111 1.00 0.32 C ATOM 736 C SER A 49 8.287 -8.037 3.438 1.00 0.35 C ATOM 737 O SER A 49 7.241 -7.797 4.044 1.00 0.40 O ATOM 738 CB SER A 49 9.990 -6.363 4.210 1.00 0.32 C ATOM 739 OG SER A 49 9.763 -5.687 2.989 1.00 0.31 O ATOM 0 H SER A 49 11.180 -8.007 2.698 1.00 0.31 H new ATOM 0 HA SER A 49 9.594 -8.258 5.122 1.00 0.32 H new ATOM 0 HB2 SER A 49 9.392 -5.902 4.997 1.00 0.32 H new ATOM 0 HB3 SER A 49 11.036 -6.252 4.498 1.00 0.32 H new ATOM 0 HG SER A 49 10.395 -6.011 2.314 1.00 0.31 H new ATOM 745 N GLY A 50 8.312 -8.479 2.184 1.00 0.36 N ATOM 746 CA GLY A 50 7.083 -8.701 1.453 1.00 0.43 C ATOM 747 C GLY A 50 6.841 -7.655 0.386 1.00 0.43 C ATOM 748 O GLY A 50 5.836 -7.710 -0.327 1.00 0.62 O ATOM 0 H GLY A 50 9.164 -8.687 1.663 1.00 0.36 H new ATOM 0 HA2 GLY A 50 7.114 -9.687 0.989 1.00 0.43 H new ATOM 0 HA3 GLY A 50 6.245 -8.703 2.151 1.00 0.43 H new ATOM 752 N LEU A 51 7.767 -6.711 0.268 1.00 0.41 N ATOM 753 CA LEU A 51 7.647 -5.632 -0.705 1.00 0.40 C ATOM 754 C LEU A 51 7.616 -6.196 -2.118 1.00 0.48 C ATOM 755 O LEU A 51 8.480 -6.984 -2.500 1.00 0.65 O ATOM 756 CB LEU A 51 8.809 -4.648 -0.553 1.00 0.38 C ATOM 757 CG LEU A 51 8.702 -3.383 -1.400 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.483 -2.572 -0.988 1.00 0.38 C ATOM 759 CD2 LEU A 51 9.967 -2.550 -1.272 1.00 0.37 C ATOM 0 H LEU A 51 8.613 -6.671 0.837 1.00 0.41 H new ATOM 0 HA LEU A 51 6.713 -5.100 -0.521 1.00 0.40 H new ATOM 0 HB2 LEU A 51 8.885 -4.359 0.495 1.00 0.38 H new ATOM 0 HB3 LEU A 51 9.735 -5.161 -0.810 1.00 0.38 H new ATOM 0 HG LEU A 51 8.586 -3.673 -2.444 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.420 -1.673 -1.601 1.00 0.38 H new ATOM 0 HD12 LEU A 51 6.583 -3.171 -1.129 1.00 0.38 H new ATOM 0 HD13 LEU A 51 7.571 -2.290 0.061 1.00 0.38 H new ATOM 0 HD21 LEU A 51 9.874 -1.652 -1.882 1.00 0.37 H new ATOM 0 HD22 LEU A 51 10.112 -2.267 -0.229 1.00 0.37 H new ATOM 0 HD23 LEU A 51 10.823 -3.133 -1.613 1.00 0.37 H new ATOM 771 N ARG A 52 6.616 -5.797 -2.885 1.00 0.53 N ATOM 772 CA ARG A 52 6.425 -6.326 -4.222 1.00 0.65 C ATOM 773 C ARG A 52 6.545 -5.202 -5.248 1.00 0.55 C ATOM 774 O ARG A 52 6.336 -4.034 -4.928 1.00 0.61 O ATOM 775 CB ARG A 52 5.053 -7.001 -4.301 1.00 0.86 C ATOM 776 CG ARG A 52 4.925 -8.021 -5.414 1.00 1.23 C ATOM 777 CD ARG A 52 3.668 -8.860 -5.256 1.00 2.05 C ATOM 778 NE ARG A 52 3.628 -9.559 -3.963 1.00 2.59 N ATOM 779 CZ ARG A 52 2.669 -10.416 -3.607 1.00 3.57 C ATOM 780 NH1 ARG A 52 1.738 -10.779 -4.482 1.00 4.13 N ATOM 781 NH2 ARG A 52 2.660 -10.944 -2.388 1.00 4.38 N ATOM 0 H ARG A 52 5.922 -5.105 -2.602 1.00 0.53 H new ATOM 0 HA ARG A 52 7.194 -7.066 -4.444 1.00 0.65 H new ATOM 0 HB2 ARG A 52 4.846 -7.491 -3.349 1.00 0.86 H new ATOM 0 HB3 ARG A 52 4.291 -6.234 -4.437 1.00 0.86 H new ATOM 0 HG2 ARG A 52 4.905 -7.510 -6.377 1.00 1.23 H new ATOM 0 HG3 ARG A 52 5.800 -8.671 -5.416 1.00 1.23 H new ATOM 0 HD2 ARG A 52 2.791 -8.219 -5.348 1.00 2.05 H new ATOM 0 HD3 ARG A 52 3.616 -9.590 -6.064 1.00 2.05 H new ATOM 0 HE ARG A 52 4.379 -9.378 -3.297 1.00 2.59 H new ATOM 0 HH11 ARG A 52 1.754 -10.403 -5.430 1.00 4.13 H new ATOM 0 HH12 ARG A 52 1.007 -11.434 -4.206 1.00 4.13 H new ATOM 0 HH21 ARG A 52 3.388 -10.695 -1.719 1.00 4.38 H new ATOM 0 HH22 ARG A 52 1.925 -11.599 -2.121 1.00 4.38 H new ATOM 795 N ALA A 53 6.919 -5.554 -6.472 1.00 0.53 N ATOM 796 CA ALA A 53 7.056 -4.570 -7.536 1.00 0.54 C ATOM 797 C ALA A 53 5.692 -4.210 -8.100 1.00 0.61 C ATOM 798 O ALA A 53 4.813 -5.069 -8.176 1.00 1.44 O ATOM 799 CB ALA A 53 7.969 -5.099 -8.633 1.00 0.68 C ATOM 0 H ALA A 53 7.132 -6.512 -6.751 1.00 0.53 H new ATOM 0 HA ALA A 53 7.506 -3.668 -7.122 1.00 0.54 H new ATOM 0 HB1 ALA A 53 8.061 -4.352 -9.421 1.00 0.68 H new ATOM 0 HB2 ALA A 53 8.954 -5.311 -8.216 1.00 0.68 H new ATOM 0 HB3 ALA A 53 7.547 -6.014 -9.048 1.00 0.68 H new ATOM 805 N GLN A 54 5.540 -2.939 -8.494 1.00 0.65 N ATOM 806 CA GLN A 54 4.272 -2.385 -8.994 1.00 0.74 C ATOM 807 C GLN A 54 3.322 -2.058 -7.846 1.00 0.59 C ATOM 808 O GLN A 54 2.186 -1.633 -8.073 1.00 0.67 O ATOM 809 CB GLN A 54 3.588 -3.315 -10.005 1.00 0.99 C ATOM 810 CG GLN A 54 4.350 -3.456 -11.311 1.00 1.46 C ATOM 811 CD GLN A 54 4.435 -2.157 -12.089 1.00 2.34 C ATOM 812 OE1 GLN A 54 3.542 -1.309 -12.020 1.00 2.99 O ATOM 813 NE2 GLN A 54 5.519 -1.987 -12.826 1.00 3.06 N ATOM 0 H GLN A 54 6.300 -2.259 -8.475 1.00 0.65 H new ATOM 0 HA GLN A 54 4.521 -1.461 -9.516 1.00 0.74 H new ATOM 0 HB2 GLN A 54 3.467 -4.301 -9.556 1.00 0.99 H new ATOM 0 HB3 GLN A 54 2.588 -2.936 -10.216 1.00 0.99 H new ATOM 0 HG2 GLN A 54 5.358 -3.814 -11.101 1.00 1.46 H new ATOM 0 HG3 GLN A 54 3.865 -4.212 -11.929 1.00 1.46 H new ATOM 0 HE21 GLN A 54 6.235 -2.713 -12.856 1.00 3.06 H new ATOM 0 HE22 GLN A 54 5.640 -1.129 -13.365 1.00 3.06 H new ATOM 822 N ASP A 55 3.797 -2.252 -6.620 1.00 0.47 N ATOM 823 CA ASP A 55 3.049 -1.859 -5.435 1.00 0.45 C ATOM 824 C ASP A 55 3.092 -0.347 -5.279 1.00 0.39 C ATOM 825 O ASP A 55 4.004 0.315 -5.788 1.00 0.48 O ATOM 826 CB ASP A 55 3.621 -2.516 -4.175 1.00 0.50 C ATOM 827 CG ASP A 55 3.242 -3.978 -4.022 1.00 0.67 C ATOM 828 OD1 ASP A 55 2.687 -4.567 -4.974 1.00 1.02 O ATOM 829 OD2 ASP A 55 3.493 -4.547 -2.931 1.00 1.01 O ATOM 0 H ASP A 55 4.701 -2.681 -6.423 1.00 0.47 H new ATOM 0 HA ASP A 55 2.018 -2.191 -5.560 1.00 0.45 H new ATOM 0 HB2 ASP A 55 4.708 -2.432 -4.194 1.00 0.50 H new ATOM 0 HB3 ASP A 55 3.274 -1.967 -3.300 1.00 0.50 H new ATOM 834 N ARG A 56 2.119 0.201 -4.576 1.00 0.38 N ATOM 835 CA ARG A 56 2.049 1.629 -4.386 1.00 0.42 C ATOM 836 C ARG A 56 2.015 1.949 -2.894 1.00 0.39 C ATOM 837 O ARG A 56 1.220 1.378 -2.146 1.00 0.39 O ATOM 838 CB ARG A 56 0.820 2.174 -5.118 1.00 0.56 C ATOM 839 CG ARG A 56 0.826 3.676 -5.296 1.00 0.78 C ATOM 840 CD ARG A 56 0.121 4.366 -4.159 1.00 0.79 C ATOM 841 NE ARG A 56 -1.296 4.020 -4.108 1.00 0.89 N ATOM 842 CZ ARG A 56 -2.080 4.358 -3.103 1.00 0.91 C ATOM 843 NH1 ARG A 56 -1.528 4.828 -2.000 1.00 1.51 N ATOM 844 NH2 ARG A 56 -3.390 4.147 -3.168 1.00 1.57 N ATOM 0 H ARG A 56 1.368 -0.325 -4.129 1.00 0.38 H new ATOM 0 HA ARG A 56 2.932 2.112 -4.804 1.00 0.42 H new ATOM 0 HB2 ARG A 56 0.755 1.702 -6.099 1.00 0.56 H new ATOM 0 HB3 ARG A 56 -0.075 1.887 -4.567 1.00 0.56 H new ATOM 0 HG2 ARG A 56 1.854 4.032 -5.359 1.00 0.78 H new ATOM 0 HG3 ARG A 56 0.341 3.934 -6.237 1.00 0.78 H new ATOM 0 HD2 ARG A 56 0.596 4.091 -3.217 1.00 0.79 H new ATOM 0 HD3 ARG A 56 0.228 5.445 -4.267 1.00 0.79 H new ATOM 0 HE ARG A 56 -1.698 3.494 -4.884 1.00 0.89 H new ATOM 0 HH11 ARG A 56 -0.514 4.923 -1.938 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -2.115 5.096 -1.210 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -3.797 3.720 -4.000 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -3.989 4.412 -2.386 1.00 1.57 H new ATOM 858 N ILE A 57 2.892 2.851 -2.471 1.00 0.40 N ATOM 859 CA ILE A 57 3.059 3.164 -1.057 1.00 0.38 C ATOM 860 C ILE A 57 1.925 4.039 -0.544 1.00 0.38 C ATOM 861 O ILE A 57 1.569 5.050 -1.157 1.00 0.49 O ATOM 862 CB ILE A 57 4.408 3.868 -0.792 1.00 0.46 C ATOM 863 CG1 ILE A 57 5.566 2.985 -1.267 1.00 0.53 C ATOM 864 CG2 ILE A 57 4.560 4.193 0.689 1.00 0.45 C ATOM 865 CD1 ILE A 57 6.936 3.592 -1.037 1.00 0.68 C ATOM 0 H ILE A 57 3.503 3.382 -3.092 1.00 0.40 H new ATOM 0 HA ILE A 57 3.043 2.215 -0.521 1.00 0.38 H new ATOM 0 HB ILE A 57 4.428 4.803 -1.352 1.00 0.46 H new ATOM 0 HG12 ILE A 57 5.513 2.026 -0.752 1.00 0.53 H new ATOM 0 HG13 ILE A 57 5.443 2.783 -2.331 1.00 0.53 H new ATOM 0 HG21 ILE A 57 5.516 4.689 0.856 1.00 0.45 H new ATOM 0 HG22 ILE A 57 3.750 4.852 1.002 1.00 0.45 H new ATOM 0 HG23 ILE A 57 4.523 3.271 1.270 1.00 0.45 H new ATOM 0 HD11 ILE A 57 7.703 2.907 -1.399 1.00 0.68 H new ATOM 0 HD12 ILE A 57 7.010 4.537 -1.575 1.00 0.68 H new ATOM 0 HD13 ILE A 57 7.082 3.768 0.029 1.00 0.68 H new ATOM 877 N VAL A 58 1.353 3.623 0.574 1.00 0.29 N ATOM 878 CA VAL A 58 0.301 4.375 1.230 1.00 0.32 C ATOM 879 C VAL A 58 0.833 5.020 2.504 1.00 0.30 C ATOM 880 O VAL A 58 0.695 6.224 2.710 1.00 0.37 O ATOM 881 CB VAL A 58 -0.893 3.471 1.594 1.00 0.37 C ATOM 882 CG1 VAL A 58 -2.057 4.301 2.102 1.00 0.87 C ATOM 883 CG2 VAL A 58 -1.311 2.616 0.408 1.00 0.62 C ATOM 0 H VAL A 58 1.605 2.757 1.050 1.00 0.29 H new ATOM 0 HA VAL A 58 -0.036 5.142 0.533 1.00 0.32 H new ATOM 0 HB VAL A 58 -0.579 2.800 2.394 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -2.890 3.644 2.354 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.750 4.854 2.990 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -2.369 5.002 1.328 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -2.155 1.988 0.692 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -1.602 3.261 -0.421 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -0.476 1.985 0.102 1.00 0.62 H new ATOM 893 N GLU A 59 1.461 4.207 3.348 1.00 0.24 N ATOM 894 CA GLU A 59 1.971 4.682 4.628 1.00 0.25 C ATOM 895 C GLU A 59 3.418 4.255 4.832 1.00 0.22 C ATOM 896 O GLU A 59 3.820 3.170 4.416 1.00 0.23 O ATOM 897 CB GLU A 59 1.124 4.159 5.798 1.00 0.29 C ATOM 898 CG GLU A 59 -0.309 4.661 5.812 1.00 0.40 C ATOM 899 CD GLU A 59 -0.947 4.545 7.184 1.00 0.44 C ATOM 900 OE1 GLU A 59 -1.342 3.424 7.563 1.00 0.43 O ATOM 901 OE2 GLU A 59 -1.070 5.570 7.889 1.00 0.89 O ATOM 0 H GLU A 59 1.628 3.217 3.168 1.00 0.24 H new ATOM 0 HA GLU A 59 1.914 5.770 4.608 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.114 3.070 5.764 1.00 0.29 H new ATOM 0 HB3 GLU A 59 1.605 4.444 6.734 1.00 0.29 H new ATOM 0 HG2 GLU A 59 -0.330 5.702 5.491 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.897 4.093 5.091 1.00 0.40 H new ATOM 908 N VAL A 60 4.196 5.119 5.467 1.00 0.22 N ATOM 909 CA VAL A 60 5.554 4.784 5.868 1.00 0.21 C ATOM 910 C VAL A 60 5.679 4.912 7.377 1.00 0.22 C ATOM 911 O VAL A 60 5.466 5.990 7.930 1.00 0.27 O ATOM 912 CB VAL A 60 6.617 5.682 5.198 1.00 0.23 C ATOM 913 CG1 VAL A 60 8.013 5.280 5.655 1.00 0.54 C ATOM 914 CG2 VAL A 60 6.511 5.610 3.685 1.00 0.66 C ATOM 0 H VAL A 60 3.907 6.065 5.717 1.00 0.22 H new ATOM 0 HA VAL A 60 5.740 3.760 5.544 1.00 0.21 H new ATOM 0 HB VAL A 60 6.434 6.713 5.501 1.00 0.23 H new ATOM 0 HG11 VAL A 60 8.752 5.921 5.175 1.00 0.54 H new ATOM 0 HG12 VAL A 60 8.087 5.388 6.737 1.00 0.54 H new ATOM 0 HG13 VAL A 60 8.201 4.242 5.381 1.00 0.54 H new ATOM 0 HG21 VAL A 60 7.270 6.251 3.236 1.00 0.66 H new ATOM 0 HG22 VAL A 60 6.665 4.582 3.358 1.00 0.66 H new ATOM 0 HG23 VAL A 60 5.522 5.946 3.373 1.00 0.66 H new ATOM 924 N ASN A 61 5.988 3.799 8.035 1.00 0.25 N ATOM 925 CA ASN A 61 6.122 3.748 9.492 1.00 0.30 C ATOM 926 C ASN A 61 4.808 4.127 10.175 1.00 0.36 C ATOM 927 O ASN A 61 4.791 4.524 11.343 1.00 0.47 O ATOM 928 CB ASN A 61 7.257 4.669 9.972 1.00 0.39 C ATOM 929 CG ASN A 61 8.595 4.336 9.334 1.00 0.53 C ATOM 930 OD1 ASN A 61 8.873 3.182 8.997 1.00 1.17 O ATOM 931 ND2 ASN A 61 9.430 5.347 9.156 1.00 0.61 N ATOM 0 H ASN A 61 6.153 2.904 7.575 1.00 0.25 H new ATOM 0 HA ASN A 61 6.370 2.723 9.767 1.00 0.30 H new ATOM 0 HB2 ASN A 61 6.999 5.704 9.746 1.00 0.39 H new ATOM 0 HB3 ASN A 61 7.347 4.592 11.056 1.00 0.39 H new ATOM 0 HD21 ASN A 61 10.341 5.186 8.726 1.00 0.61 H new ATOM 0 HD22 ASN A 61 9.163 6.287 9.448 1.00 0.61 H new ATOM 938 N GLY A 62 3.710 3.978 9.438 1.00 0.37 N ATOM 939 CA GLY A 62 2.401 4.311 9.966 1.00 0.50 C ATOM 940 C GLY A 62 1.978 5.733 9.644 1.00 0.51 C ATOM 941 O GLY A 62 0.949 6.200 10.130 1.00 0.66 O ATOM 0 H GLY A 62 3.706 3.630 8.479 1.00 0.37 H new ATOM 0 HA2 GLY A 62 1.664 3.618 9.561 1.00 0.50 H new ATOM 0 HA3 GLY A 62 2.406 4.175 11.047 1.00 0.50 H new ATOM 945 N VAL A 63 2.772 6.425 8.836 1.00 0.42 N ATOM 946 CA VAL A 63 2.435 7.778 8.409 1.00 0.50 C ATOM 947 C VAL A 63 1.977 7.777 6.954 1.00 0.43 C ATOM 948 O VAL A 63 2.718 7.358 6.063 1.00 0.39 O ATOM 949 CB VAL A 63 3.636 8.740 8.563 1.00 0.61 C ATOM 950 CG1 VAL A 63 3.247 10.163 8.182 1.00 0.98 C ATOM 951 CG2 VAL A 63 4.180 8.698 9.981 1.00 1.17 C ATOM 0 H VAL A 63 3.653 6.072 8.463 1.00 0.42 H new ATOM 0 HA VAL A 63 1.626 8.128 9.051 1.00 0.50 H new ATOM 0 HB VAL A 63 4.421 8.409 7.883 1.00 0.61 H new ATOM 0 HG11 VAL A 63 4.109 10.820 8.299 1.00 0.98 H new ATOM 0 HG12 VAL A 63 2.913 10.184 7.145 1.00 0.98 H new ATOM 0 HG13 VAL A 63 2.440 10.505 8.830 1.00 0.98 H new ATOM 0 HG21 VAL A 63 5.024 9.382 10.067 1.00 1.17 H new ATOM 0 HG22 VAL A 63 3.398 8.996 10.680 1.00 1.17 H new ATOM 0 HG23 VAL A 63 4.508 7.685 10.215 1.00 1.17 H new ATOM 961 N CYS A 64 0.751 8.235 6.726 1.00 0.49 N ATOM 962 CA CYS A 64 0.184 8.302 5.388 1.00 0.49 C ATOM 963 C CYS A 64 0.975 9.264 4.512 1.00 0.47 C ATOM 964 O CYS A 64 1.237 10.400 4.906 1.00 0.51 O ATOM 965 CB CYS A 64 -1.271 8.758 5.462 1.00 0.59 C ATOM 966 SG CYS A 64 -2.383 7.587 6.267 1.00 1.68 S ATOM 0 H CYS A 64 0.127 8.568 7.461 1.00 0.49 H new ATOM 0 HA CYS A 64 0.233 7.307 4.946 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -1.314 9.707 5.997 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -1.632 8.945 4.451 1.00 0.59 H new ATOM 0 HG CYS A 64 -1.715 6.871 7.122 1.00 1.68 H new ATOM 972 N MET A 65 1.351 8.804 3.324 1.00 0.48 N ATOM 973 CA MET A 65 2.095 9.626 2.378 1.00 0.53 C ATOM 974 C MET A 65 1.219 9.994 1.189 1.00 0.61 C ATOM 975 O MET A 65 1.708 10.381 0.127 1.00 0.81 O ATOM 976 CB MET A 65 3.355 8.899 1.911 1.00 0.61 C ATOM 977 CG MET A 65 4.348 8.656 3.034 1.00 0.63 C ATOM 978 SD MET A 65 4.895 10.188 3.810 1.00 0.61 S ATOM 979 CE MET A 65 5.791 9.547 5.217 1.00 0.74 C ATOM 0 H MET A 65 1.151 7.860 2.992 1.00 0.48 H new ATOM 0 HA MET A 65 2.396 10.545 2.882 1.00 0.53 H new ATOM 0 HB2 MET A 65 3.074 7.943 1.468 1.00 0.61 H new ATOM 0 HB3 MET A 65 3.836 9.484 1.127 1.00 0.61 H new ATOM 0 HG2 MET A 65 3.891 8.013 3.787 1.00 0.63 H new ATOM 0 HG3 MET A 65 5.213 8.122 2.641 1.00 0.63 H new ATOM 0 HE1 MET A 65 6.178 10.376 5.810 1.00 0.74 H new ATOM 0 HE2 MET A 65 5.122 8.943 5.830 1.00 0.74 H new ATOM 0 HE3 MET A 65 6.620 8.931 4.870 1.00 0.74 H new ATOM 989 N GLU A 66 -0.083 9.864 1.390 1.00 0.83 N ATOM 990 CA GLU A 66 -1.069 10.230 0.383 1.00 1.01 C ATOM 991 C GLU A 66 -0.971 11.713 0.046 1.00 1.08 C ATOM 992 O GLU A 66 -1.154 12.570 0.911 1.00 1.86 O ATOM 993 CB GLU A 66 -2.475 9.908 0.889 1.00 1.29 C ATOM 994 CG GLU A 66 -2.747 8.421 1.046 1.00 2.19 C ATOM 995 CD GLU A 66 -2.827 7.693 -0.281 1.00 3.03 C ATOM 996 OE1 GLU A 66 -2.963 8.361 -1.328 1.00 3.33 O ATOM 997 OE2 GLU A 66 -2.779 6.445 -0.280 1.00 3.75 O ATOM 0 H GLU A 66 -0.486 9.502 2.254 1.00 0.83 H new ATOM 0 HA GLU A 66 -0.868 9.654 -0.520 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -2.626 10.399 1.851 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -3.205 10.330 0.198 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -1.959 7.975 1.653 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -3.683 8.283 1.587 1.00 2.19 H new ATOM 1004 N GLY A 67 -0.654 12.009 -1.205 1.00 1.21 N ATOM 1005 CA GLY A 67 -0.593 13.388 -1.650 1.00 1.36 C ATOM 1006 C GLY A 67 0.768 14.020 -1.432 1.00 1.24 C ATOM 1007 O GLY A 67 1.077 15.060 -2.018 1.00 1.47 O ATOM 0 H GLY A 67 -0.437 11.318 -1.923 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -0.843 13.434 -2.710 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -1.347 13.969 -1.119 1.00 1.36 H new ATOM 1011 N LYS A 68 1.580 13.400 -0.590 1.00 0.97 N ATOM 1012 CA LYS A 68 2.908 13.912 -0.294 1.00 0.87 C ATOM 1013 C LYS A 68 3.884 13.647 -1.434 1.00 0.90 C ATOM 1014 O LYS A 68 3.562 12.950 -2.402 1.00 1.06 O ATOM 1015 CB LYS A 68 3.407 13.304 1.001 1.00 0.73 C ATOM 1016 CG LYS A 68 2.538 13.697 2.172 1.00 1.24 C ATOM 1017 CD LYS A 68 3.042 13.118 3.468 1.00 2.01 C ATOM 1018 CE LYS A 68 2.085 13.439 4.593 1.00 2.81 C ATOM 1019 NZ LYS A 68 2.020 14.899 4.873 1.00 3.36 N ATOM 0 H LYS A 68 1.341 12.539 -0.098 1.00 0.97 H new ATOM 0 HA LYS A 68 2.842 14.994 -0.181 1.00 0.87 H new ATOM 0 HB2 LYS A 68 3.426 12.218 0.910 1.00 0.73 H new ATOM 0 HB3 LYS A 68 4.432 13.627 1.184 1.00 0.73 H new ATOM 0 HG2 LYS A 68 2.504 14.784 2.249 1.00 1.24 H new ATOM 0 HG3 LYS A 68 1.517 13.358 1.996 1.00 1.24 H new ATOM 0 HD2 LYS A 68 3.153 12.038 3.373 1.00 2.01 H new ATOM 0 HD3 LYS A 68 4.029 13.521 3.695 1.00 2.01 H new ATOM 0 HE2 LYS A 68 1.090 13.075 4.337 1.00 2.81 H new ATOM 0 HE3 LYS A 68 2.396 12.911 5.494 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 1.504 15.059 5.761 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 2.984 15.279 4.959 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 1.527 15.380 4.094 1.00 3.36 H new ATOM 1033 N GLN A 69 5.077 14.204 -1.306 1.00 0.87 N ATOM 1034 CA GLN A 69 6.049 14.203 -2.383 1.00 0.93 C ATOM 1035 C GLN A 69 7.142 13.170 -2.146 1.00 0.81 C ATOM 1036 O GLN A 69 7.091 12.408 -1.179 1.00 0.74 O ATOM 1037 CB GLN A 69 6.660 15.597 -2.509 1.00 1.07 C ATOM 1038 CG GLN A 69 5.640 16.666 -2.863 1.00 1.33 C ATOM 1039 CD GLN A 69 6.109 18.065 -2.518 1.00 2.12 C ATOM 1040 OE1 GLN A 69 7.308 18.352 -2.508 1.00 2.64 O ATOM 1041 NE2 GLN A 69 5.163 18.948 -2.235 1.00 2.89 N ATOM 0 H GLN A 69 5.397 14.667 -0.455 1.00 0.87 H new ATOM 0 HA GLN A 69 5.540 13.936 -3.309 1.00 0.93 H new ATOM 0 HB2 GLN A 69 7.143 15.862 -1.568 1.00 1.07 H new ATOM 0 HB3 GLN A 69 7.438 15.578 -3.273 1.00 1.07 H new ATOM 0 HG2 GLN A 69 5.422 16.614 -3.930 1.00 1.33 H new ATOM 0 HG3 GLN A 69 4.708 16.460 -2.337 1.00 1.33 H new ATOM 0 HE21 GLN A 69 4.182 18.669 -2.255 1.00 2.89 H new ATOM 0 HE22 GLN A 69 5.415 19.907 -1.997 1.00 2.89 H new ATOM 1050 N HIS A 70 8.133 13.157 -3.027 1.00 0.84 N ATOM 1051 CA HIS A 70 9.233 12.205 -2.941 1.00 0.79 C ATOM 1052 C HIS A 70 10.022 12.423 -1.654 1.00 0.70 C ATOM 1053 O HIS A 70 10.369 11.468 -0.955 1.00 0.65 O ATOM 1054 CB HIS A 70 10.145 12.359 -4.168 1.00 0.88 C ATOM 1055 CG HIS A 70 11.298 11.399 -4.222 1.00 0.90 C ATOM 1056 ND1 HIS A 70 11.143 10.040 -4.393 1.00 1.42 N ATOM 1057 CD2 HIS A 70 12.630 11.615 -4.162 1.00 1.37 C ATOM 1058 CE1 HIS A 70 12.328 9.466 -4.438 1.00 1.31 C ATOM 1059 NE2 HIS A 70 13.252 10.398 -4.305 1.00 1.13 N ATOM 0 H HIS A 70 8.198 13.800 -3.816 1.00 0.84 H new ATOM 0 HA HIS A 70 8.831 11.192 -2.925 1.00 0.79 H new ATOM 0 HB2 HIS A 70 9.543 12.233 -5.068 1.00 0.88 H new ATOM 0 HB3 HIS A 70 10.537 13.376 -4.186 1.00 0.88 H new ATOM 0 HD1 HIS A 70 10.250 9.554 -4.472 1.00 1.42 H new ATOM 0 HD2 HIS A 70 13.117 12.569 -4.026 1.00 1.37 H new ATOM 0 HE1 HIS A 70 12.512 8.409 -4.563 1.00 1.31 H new ATOM 1068 N GLY A 71 10.268 13.688 -1.336 1.00 0.72 N ATOM 1069 CA GLY A 71 11.015 14.036 -0.142 1.00 0.69 C ATOM 1070 C GLY A 71 10.358 13.552 1.136 1.00 0.62 C ATOM 1071 O GLY A 71 11.041 13.079 2.045 1.00 0.62 O ATOM 0 H GLY A 71 9.960 14.487 -1.890 1.00 0.72 H new ATOM 0 HA2 GLY A 71 12.017 13.612 -0.211 1.00 0.69 H new ATOM 0 HA3 GLY A 71 11.130 15.119 -0.096 1.00 0.69 H new ATOM 1075 N ASP A 72 9.032 13.651 1.199 1.00 0.61 N ATOM 1076 CA ASP A 72 8.286 13.246 2.392 1.00 0.58 C ATOM 1077 C ASP A 72 8.463 11.757 2.660 1.00 0.49 C ATOM 1078 O ASP A 72 8.759 11.344 3.783 1.00 0.44 O ATOM 1079 CB ASP A 72 6.787 13.538 2.233 1.00 0.68 C ATOM 1080 CG ASP A 72 6.472 15.010 2.059 1.00 1.16 C ATOM 1081 OD1 ASP A 72 6.463 15.745 3.069 1.00 1.47 O ATOM 1082 OD2 ASP A 72 6.209 15.434 0.914 1.00 2.03 O ATOM 0 H ASP A 72 8.451 14.007 0.440 1.00 0.61 H new ATOM 0 HA ASP A 72 8.681 13.822 3.229 1.00 0.58 H new ATOM 0 HB2 ASP A 72 6.408 12.989 1.371 1.00 0.68 H new ATOM 0 HB3 ASP A 72 6.257 13.162 3.108 1.00 0.68 H new ATOM 1087 N VAL A 73 8.301 10.962 1.611 1.00 0.50 N ATOM 1088 CA VAL A 73 8.351 9.513 1.730 1.00 0.45 C ATOM 1089 C VAL A 73 9.763 9.041 2.070 1.00 0.44 C ATOM 1090 O VAL A 73 9.955 8.235 2.982 1.00 0.43 O ATOM 1091 CB VAL A 73 7.875 8.834 0.426 1.00 0.51 C ATOM 1092 CG1 VAL A 73 7.870 7.319 0.566 1.00 1.08 C ATOM 1093 CG2 VAL A 73 6.492 9.340 0.037 1.00 0.97 C ATOM 0 H VAL A 73 8.133 11.300 0.663 1.00 0.50 H new ATOM 0 HA VAL A 73 7.680 9.228 2.540 1.00 0.45 H new ATOM 0 HB VAL A 73 8.577 9.095 -0.366 1.00 0.51 H new ATOM 0 HG11 VAL A 73 7.531 6.869 -0.367 1.00 1.08 H new ATOM 0 HG12 VAL A 73 8.878 6.971 0.791 1.00 1.08 H new ATOM 0 HG13 VAL A 73 7.198 7.030 1.374 1.00 1.08 H new ATOM 0 HG21 VAL A 73 6.172 8.852 -0.883 1.00 0.97 H new ATOM 0 HG22 VAL A 73 5.784 9.113 0.834 1.00 0.97 H new ATOM 0 HG23 VAL A 73 6.529 10.418 -0.118 1.00 0.97 H new ATOM 1103 N VAL A 74 10.749 9.569 1.354 1.00 0.49 N ATOM 1104 CA VAL A 74 12.139 9.173 1.561 1.00 0.53 C ATOM 1105 C VAL A 74 12.623 9.579 2.951 1.00 0.51 C ATOM 1106 O VAL A 74 13.328 8.820 3.621 1.00 0.52 O ATOM 1107 CB VAL A 74 13.067 9.781 0.484 1.00 0.64 C ATOM 1108 CG1 VAL A 74 14.526 9.436 0.751 1.00 0.72 C ATOM 1109 CG2 VAL A 74 12.660 9.297 -0.897 1.00 0.70 C ATOM 0 H VAL A 74 10.613 10.271 0.626 1.00 0.49 H new ATOM 0 HA VAL A 74 12.180 8.087 1.477 1.00 0.53 H new ATOM 0 HB VAL A 74 12.963 10.865 0.527 1.00 0.64 H new ATOM 0 HG11 VAL A 74 15.152 9.878 -0.024 1.00 0.72 H new ATOM 0 HG12 VAL A 74 14.821 9.829 1.724 1.00 0.72 H new ATOM 0 HG13 VAL A 74 14.651 8.353 0.744 1.00 0.72 H new ATOM 0 HG21 VAL A 74 13.322 9.733 -1.645 1.00 0.70 H new ATOM 0 HG22 VAL A 74 12.733 8.210 -0.938 1.00 0.70 H new ATOM 0 HG23 VAL A 74 11.633 9.600 -1.101 1.00 0.70 H new ATOM 1119 N SER A 75 12.225 10.767 3.387 1.00 0.51 N ATOM 1120 CA SER A 75 12.621 11.274 4.691 1.00 0.52 C ATOM 1121 C SER A 75 12.135 10.350 5.803 1.00 0.47 C ATOM 1122 O SER A 75 12.873 10.060 6.742 1.00 0.51 O ATOM 1123 CB SER A 75 12.069 12.686 4.894 1.00 0.58 C ATOM 1124 OG SER A 75 12.457 13.227 6.144 1.00 0.66 O ATOM 0 H SER A 75 11.627 11.398 2.854 1.00 0.51 H new ATOM 0 HA SER A 75 13.710 11.310 4.731 1.00 0.52 H new ATOM 0 HB2 SER A 75 12.423 13.334 4.092 1.00 0.58 H new ATOM 0 HB3 SER A 75 10.981 12.664 4.829 1.00 0.58 H new ATOM 0 HG SER A 75 12.088 14.130 6.238 1.00 0.66 H new ATOM 1130 N ALA A 76 10.902 9.868 5.681 1.00 0.42 N ATOM 1131 CA ALA A 76 10.318 9.000 6.696 1.00 0.39 C ATOM 1132 C ALA A 76 11.039 7.657 6.760 1.00 0.37 C ATOM 1133 O ALA A 76 11.329 7.151 7.844 1.00 0.39 O ATOM 1134 CB ALA A 76 8.840 8.793 6.431 1.00 0.39 C ATOM 0 H ALA A 76 10.289 10.064 4.890 1.00 0.42 H new ATOM 0 HA ALA A 76 10.437 9.491 7.662 1.00 0.39 H new ATOM 0 HB1 ALA A 76 8.420 8.143 7.198 1.00 0.39 H new ATOM 0 HB2 ALA A 76 8.328 9.755 6.451 1.00 0.39 H new ATOM 0 HB3 ALA A 76 8.707 8.332 5.452 1.00 0.39 H new ATOM 1140 N ILE A 77 11.335 7.087 5.595 1.00 0.37 N ATOM 1141 CA ILE A 77 12.065 5.828 5.523 1.00 0.39 C ATOM 1142 C ILE A 77 13.426 5.961 6.207 1.00 0.41 C ATOM 1143 O ILE A 77 13.856 5.084 6.958 1.00 0.44 O ATOM 1144 CB ILE A 77 12.270 5.398 4.054 1.00 0.45 C ATOM 1145 CG1 ILE A 77 10.917 5.230 3.359 1.00 0.53 C ATOM 1146 CG2 ILE A 77 13.069 4.104 3.982 1.00 0.50 C ATOM 1147 CD1 ILE A 77 11.022 5.078 1.860 1.00 0.69 C ATOM 0 H ILE A 77 11.080 7.478 4.688 1.00 0.37 H new ATOM 0 HA ILE A 77 11.476 5.068 6.036 1.00 0.39 H new ATOM 0 HB ILE A 77 12.833 6.177 3.540 1.00 0.45 H new ATOM 0 HG12 ILE A 77 10.413 4.355 3.770 1.00 0.53 H new ATOM 0 HG13 ILE A 77 10.292 6.094 3.585 1.00 0.53 H new ATOM 0 HG21 ILE A 77 13.203 3.817 2.939 1.00 0.50 H new ATOM 0 HG22 ILE A 77 14.044 4.252 4.446 1.00 0.50 H new ATOM 0 HG23 ILE A 77 12.532 3.315 4.509 1.00 0.50 H new ATOM 0 HD11 ILE A 77 10.025 4.963 1.435 1.00 0.69 H new ATOM 0 HD12 ILE A 77 11.497 5.963 1.437 1.00 0.69 H new ATOM 0 HD13 ILE A 77 11.620 4.198 1.625 1.00 0.69 H new ATOM 1159 N ARG A 78 14.083 7.086 5.956 1.00 0.43 N ATOM 1160 CA ARG A 78 15.403 7.356 6.509 1.00 0.50 C ATOM 1161 C ARG A 78 15.331 7.701 7.995 1.00 0.50 C ATOM 1162 O ARG A 78 16.245 7.389 8.758 1.00 0.56 O ATOM 1163 CB ARG A 78 16.069 8.488 5.727 1.00 0.58 C ATOM 1164 CG ARG A 78 16.441 8.087 4.309 1.00 0.66 C ATOM 1165 CD ARG A 78 16.971 9.261 3.500 1.00 0.89 C ATOM 1166 NE ARG A 78 18.166 9.855 4.095 1.00 1.59 N ATOM 1167 CZ ARG A 78 19.337 9.954 3.472 1.00 2.11 C ATOM 1168 NH1 ARG A 78 19.495 9.426 2.261 1.00 2.12 N ATOM 1169 NH2 ARG A 78 20.351 10.564 4.064 1.00 3.09 N ATOM 0 H ARG A 78 13.718 7.834 5.366 1.00 0.43 H new ATOM 0 HA ARG A 78 16.003 6.451 6.414 1.00 0.50 H new ATOM 0 HB2 ARG A 78 15.396 9.344 5.692 1.00 0.58 H new ATOM 0 HB3 ARG A 78 16.966 8.809 6.256 1.00 0.58 H new ATOM 0 HG2 ARG A 78 17.195 7.301 4.342 1.00 0.66 H new ATOM 0 HG3 ARG A 78 15.566 7.669 3.810 1.00 0.66 H new ATOM 0 HD2 ARG A 78 17.200 8.927 2.488 1.00 0.89 H new ATOM 0 HD3 ARG A 78 16.194 10.021 3.417 1.00 0.89 H new ATOM 0 HE ARG A 78 18.098 10.216 5.047 1.00 1.59 H new ATOM 0 HH11 ARG A 78 18.718 8.945 1.809 1.00 2.12 H new ATOM 0 HH12 ARG A 78 20.394 9.503 1.784 1.00 2.12 H new ATOM 0 HH21 ARG A 78 20.234 10.958 4.998 1.00 3.09 H new ATOM 0 HH22 ARG A 78 21.249 10.640 3.587 1.00 3.09 H new ATOM 1183 N ALA A 79 14.239 8.332 8.402 1.00 0.47 N ATOM 1184 CA ALA A 79 14.059 8.725 9.796 1.00 0.51 C ATOM 1185 C ALA A 79 13.558 7.558 10.638 1.00 0.43 C ATOM 1186 O ALA A 79 13.480 7.656 11.865 1.00 0.46 O ATOM 1187 CB ALA A 79 13.100 9.901 9.901 1.00 0.65 C ATOM 0 H ALA A 79 13.464 8.584 7.789 1.00 0.47 H new ATOM 0 HA ALA A 79 15.031 9.030 10.184 1.00 0.51 H new ATOM 0 HB1 ALA A 79 12.979 10.179 10.948 1.00 0.65 H new ATOM 0 HB2 ALA A 79 13.501 10.748 9.344 1.00 0.65 H new ATOM 0 HB3 ALA A 79 12.132 9.619 9.486 1.00 0.65 H new ATOM 1193 N GLY A 80 13.221 6.458 9.975 1.00 0.41 N ATOM 1194 CA GLY A 80 12.739 5.279 10.671 1.00 0.42 C ATOM 1195 C GLY A 80 13.796 4.675 11.573 1.00 0.46 C ATOM 1196 O GLY A 80 13.478 4.058 12.589 1.00 0.60 O ATOM 0 H GLY A 80 13.273 6.361 8.961 1.00 0.41 H new ATOM 0 HA2 GLY A 80 11.864 5.542 11.265 1.00 0.42 H new ATOM 0 HA3 GLY A 80 12.417 4.535 9.942 1.00 0.42 H new ATOM 1200 N GLY A 81 15.053 4.865 11.209 1.00 0.49 N ATOM 1201 CA GLY A 81 16.138 4.324 11.994 1.00 0.63 C ATOM 1202 C GLY A 81 16.828 3.186 11.281 1.00 0.64 C ATOM 1203 O GLY A 81 17.236 3.332 10.127 1.00 1.10 O ATOM 0 H GLY A 81 15.341 5.386 10.381 1.00 0.49 H new ATOM 0 HA2 GLY A 81 16.861 5.111 12.208 1.00 0.63 H new ATOM 0 HA3 GLY A 81 15.755 3.974 12.953 1.00 0.63 H new ATOM 1207 N ASP A 82 16.949 2.050 11.952 1.00 0.43 N ATOM 1208 CA ASP A 82 17.584 0.883 11.354 1.00 0.44 C ATOM 1209 C ASP A 82 16.578 0.116 10.518 1.00 0.39 C ATOM 1210 O ASP A 82 16.934 -0.545 9.551 1.00 0.55 O ATOM 1211 CB ASP A 82 18.155 -0.041 12.428 1.00 0.55 C ATOM 1212 CG ASP A 82 19.191 -1.002 11.884 1.00 1.41 C ATOM 1213 OD1 ASP A 82 20.379 -0.620 11.808 1.00 1.97 O ATOM 1214 OD2 ASP A 82 18.835 -2.149 11.560 1.00 2.12 O ATOM 0 H ASP A 82 16.618 1.911 12.907 1.00 0.43 H new ATOM 0 HA ASP A 82 18.400 1.232 10.721 1.00 0.44 H new ATOM 0 HB2 ASP A 82 18.604 0.561 13.218 1.00 0.55 H new ATOM 0 HB3 ASP A 82 17.343 -0.608 12.882 1.00 0.55 H new ATOM 1219 N GLU A 83 15.315 0.209 10.891 1.00 0.38 N ATOM 1220 CA GLU A 83 14.270 -0.487 10.171 1.00 0.39 C ATOM 1221 C GLU A 83 13.145 0.467 9.806 1.00 0.38 C ATOM 1222 O GLU A 83 13.012 1.546 10.386 1.00 0.53 O ATOM 1223 CB GLU A 83 13.755 -1.683 10.984 1.00 0.47 C ATOM 1224 CG GLU A 83 13.328 -1.352 12.407 1.00 0.86 C ATOM 1225 CD GLU A 83 11.885 -0.885 12.508 1.00 1.62 C ATOM 1226 OE1 GLU A 83 10.984 -1.597 12.014 1.00 2.11 O ATOM 1227 OE2 GLU A 83 11.644 0.205 13.070 1.00 2.00 O ATOM 0 H GLU A 83 14.991 0.759 11.687 1.00 0.38 H new ATOM 0 HA GLU A 83 14.688 -0.876 9.242 1.00 0.39 H new ATOM 0 HB2 GLU A 83 12.908 -2.123 10.459 1.00 0.47 H new ATOM 0 HB3 GLU A 83 14.536 -2.442 11.021 1.00 0.47 H new ATOM 0 HG2 GLU A 83 13.462 -2.234 13.034 1.00 0.86 H new ATOM 0 HG3 GLU A 83 13.982 -0.576 12.804 1.00 0.86 H new ATOM 1234 N THR A 84 12.357 0.069 8.828 1.00 0.27 N ATOM 1235 CA THR A 84 11.254 0.876 8.358 1.00 0.26 C ATOM 1236 C THR A 84 10.106 -0.028 7.924 1.00 0.22 C ATOM 1237 O THR A 84 10.323 -1.164 7.489 1.00 0.21 O ATOM 1238 CB THR A 84 11.688 1.791 7.188 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.611 2.655 6.800 1.00 0.32 O ATOM 1240 CG2 THR A 84 12.140 0.969 5.990 1.00 0.30 C ATOM 0 H THR A 84 12.464 -0.820 8.339 1.00 0.27 H new ATOM 0 HA THR A 84 10.922 1.516 9.176 1.00 0.26 H new ATOM 0 HB THR A 84 12.527 2.395 7.533 1.00 0.30 H new ATOM 0 HG1 THR A 84 10.020 2.806 7.567 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.439 1.637 5.182 1.00 0.30 H new ATOM 0 HG22 THR A 84 12.986 0.344 6.276 1.00 0.30 H new ATOM 0 HG23 THR A 84 11.319 0.337 5.652 1.00 0.30 H new ATOM 1248 N LYS A 85 8.889 0.461 8.082 1.00 0.24 N ATOM 1249 CA LYS A 85 7.713 -0.299 7.711 1.00 0.23 C ATOM 1250 C LYS A 85 6.969 0.407 6.592 1.00 0.23 C ATOM 1251 O LYS A 85 6.482 1.524 6.757 1.00 0.26 O ATOM 1252 CB LYS A 85 6.805 -0.491 8.923 1.00 0.28 C ATOM 1253 CG LYS A 85 7.472 -1.251 10.056 1.00 0.37 C ATOM 1254 CD LYS A 85 6.583 -1.315 11.282 1.00 0.50 C ATOM 1255 CE LYS A 85 7.296 -1.959 12.460 1.00 0.78 C ATOM 1256 NZ LYS A 85 8.497 -1.187 12.881 1.00 1.63 N ATOM 0 H LYS A 85 8.691 1.385 8.466 1.00 0.24 H new ATOM 0 HA LYS A 85 8.024 -1.281 7.355 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.485 0.485 9.288 1.00 0.28 H new ATOM 0 HB3 LYS A 85 5.907 -1.026 8.615 1.00 0.28 H new ATOM 0 HG2 LYS A 85 7.711 -2.262 9.726 1.00 0.37 H new ATOM 0 HG3 LYS A 85 8.415 -0.768 10.314 1.00 0.37 H new ATOM 0 HD2 LYS A 85 6.266 -0.308 11.555 1.00 0.50 H new ATOM 0 HD3 LYS A 85 5.681 -1.881 11.049 1.00 0.50 H new ATOM 0 HE2 LYS A 85 6.606 -2.040 13.300 1.00 0.78 H new ATOM 0 HE3 LYS A 85 7.593 -2.973 12.192 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 8.527 -1.131 13.919 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 9.354 -1.663 12.535 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 8.449 -0.227 12.484 1.00 1.63 H new ATOM 1270 N LEU A 86 6.880 -0.250 5.456 1.00 0.22 N ATOM 1271 CA LEU A 86 6.223 0.325 4.304 1.00 0.22 C ATOM 1272 C LEU A 86 4.875 -0.338 4.099 1.00 0.22 C ATOM 1273 O LEU A 86 4.773 -1.563 4.056 1.00 0.27 O ATOM 1274 CB LEU A 86 7.085 0.158 3.048 1.00 0.24 C ATOM 1275 CG LEU A 86 8.476 0.795 3.115 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.241 0.532 1.828 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.372 2.289 3.373 1.00 0.28 C ATOM 0 H LEU A 86 7.256 -1.186 5.306 1.00 0.22 H new ATOM 0 HA LEU A 86 6.079 1.391 4.482 1.00 0.22 H new ATOM 0 HB2 LEU A 86 7.201 -0.907 2.847 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.549 0.586 2.201 1.00 0.24 H new ATOM 0 HG LEU A 86 9.020 0.342 3.943 1.00 0.25 H new ATOM 0 HD11 LEU A 86 10.228 0.991 1.891 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.349 -0.543 1.682 1.00 0.28 H new ATOM 0 HD13 LEU A 86 8.695 0.959 0.987 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.372 2.721 3.417 1.00 0.28 H new ATOM 0 HD22 LEU A 86 7.808 2.759 2.567 1.00 0.28 H new ATOM 0 HD23 LEU A 86 7.861 2.460 4.321 1.00 0.28 H new ATOM 1289 N LEU A 87 3.841 0.466 3.979 1.00 0.20 N ATOM 1290 CA LEU A 87 2.516 -0.052 3.734 1.00 0.21 C ATOM 1291 C LEU A 87 2.168 0.176 2.280 1.00 0.21 C ATOM 1292 O LEU A 87 2.053 1.317 1.833 1.00 0.26 O ATOM 1293 CB LEU A 87 1.484 0.633 4.633 1.00 0.27 C ATOM 1294 CG LEU A 87 0.045 0.157 4.440 1.00 0.39 C ATOM 1295 CD1 LEU A 87 -0.095 -1.292 4.864 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -0.918 1.037 5.215 1.00 0.45 C ATOM 0 H LEU A 87 3.894 1.482 4.047 1.00 0.20 H new ATOM 0 HA LEU A 87 2.501 -1.118 3.962 1.00 0.21 H new ATOM 0 HB2 LEU A 87 1.767 0.474 5.673 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.523 1.707 4.453 1.00 0.27 H new ATOM 0 HG LEU A 87 -0.203 0.231 3.381 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -1.126 -1.615 4.720 1.00 0.51 H new ATOM 0 HD12 LEU A 87 0.568 -1.913 4.261 1.00 0.51 H new ATOM 0 HD13 LEU A 87 0.173 -1.391 5.916 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -1.937 0.681 5.064 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.673 0.998 6.276 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -0.836 2.065 4.862 1.00 0.45 H new ATOM 1308 N VAL A 88 2.014 -0.908 1.547 1.00 0.20 N ATOM 1309 CA VAL A 88 1.766 -0.830 0.121 1.00 0.23 C ATOM 1310 C VAL A 88 0.540 -1.643 -0.261 1.00 0.24 C ATOM 1311 O VAL A 88 0.078 -2.496 0.501 1.00 0.27 O ATOM 1312 CB VAL A 88 2.984 -1.312 -0.698 1.00 0.28 C ATOM 1313 CG1 VAL A 88 4.144 -0.335 -0.570 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.413 -2.700 -0.254 1.00 0.33 C ATOM 0 H VAL A 88 2.056 -1.858 1.917 1.00 0.20 H new ATOM 0 HA VAL A 88 1.588 0.219 -0.115 1.00 0.23 H new ATOM 0 HB VAL A 88 2.688 -1.359 -1.746 1.00 0.28 H new ATOM 0 HG11 VAL A 88 4.990 -0.696 -1.155 1.00 0.31 H new ATOM 0 HG12 VAL A 88 3.838 0.644 -0.940 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.436 -0.252 0.477 1.00 0.31 H new ATOM 0 HG21 VAL A 88 4.272 -3.021 -0.843 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.685 -2.677 0.801 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.590 -3.400 -0.401 1.00 0.33 H new ATOM 1324 N VAL A 89 0.013 -1.359 -1.437 1.00 0.24 N ATOM 1325 CA VAL A 89 -1.164 -2.044 -1.938 1.00 0.27 C ATOM 1326 C VAL A 89 -0.902 -2.605 -3.328 1.00 0.34 C ATOM 1327 O VAL A 89 -0.149 -2.021 -4.110 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.393 -1.105 -1.991 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -2.861 -0.754 -0.588 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -2.078 0.159 -2.778 1.00 0.30 C ATOM 0 H VAL A 89 0.386 -0.651 -2.069 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.381 -2.859 -1.247 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.198 -1.633 -2.502 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.726 -0.093 -0.648 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -3.137 -1.666 -0.058 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -2.057 -0.251 -0.051 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -2.958 0.802 -2.801 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -1.253 0.689 -2.301 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -1.797 -0.107 -3.797 1.00 0.30 H new ATOM 1340 N ASP A 90 -1.513 -3.748 -3.612 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.392 -4.387 -4.917 1.00 0.51 C ATOM 1342 C ASP A 90 -2.215 -3.623 -5.945 1.00 0.48 C ATOM 1343 O ASP A 90 -3.051 -2.797 -5.577 1.00 0.45 O ATOM 1344 CB ASP A 90 -1.868 -5.846 -4.836 1.00 0.68 C ATOM 1345 CG ASP A 90 -1.801 -6.595 -6.158 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -0.740 -7.171 -6.468 1.00 1.86 O ATOM 1347 OD2 ASP A 90 -2.824 -6.630 -6.882 1.00 1.92 O ATOM 0 H ASP A 90 -2.102 -4.255 -2.951 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.346 -4.377 -5.222 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -1.262 -6.374 -4.100 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -2.896 -5.862 -4.473 1.00 0.68 H new ATOM 1352 N ARG A 91 -1.989 -3.904 -7.215 1.00 0.57 N ATOM 1353 CA ARG A 91 -2.707 -3.238 -8.298 1.00 0.61 C ATOM 1354 C ARG A 91 -4.219 -3.344 -8.095 1.00 0.55 C ATOM 1355 O ARG A 91 -4.939 -2.345 -8.152 1.00 0.55 O ATOM 1356 CB ARG A 91 -2.320 -3.867 -9.639 1.00 0.75 C ATOM 1357 CG ARG A 91 -3.108 -3.330 -10.824 1.00 0.82 C ATOM 1358 CD ARG A 91 -2.886 -4.176 -12.066 1.00 1.44 C ATOM 1359 NE ARG A 91 -1.492 -4.161 -12.506 1.00 2.25 N ATOM 1360 CZ ARG A 91 -0.811 -5.244 -12.873 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -1.375 -6.446 -12.822 1.00 3.39 N ATOM 1362 NH2 ARG A 91 0.439 -5.120 -13.291 1.00 4.16 N ATOM 0 H ARG A 91 -1.308 -4.595 -7.529 1.00 0.57 H new ATOM 0 HA ARG A 91 -2.432 -2.183 -8.296 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -1.258 -3.697 -9.815 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -2.465 -4.946 -9.578 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -4.170 -3.312 -10.579 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -2.810 -2.301 -11.025 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -3.189 -5.203 -11.862 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -3.523 -3.809 -12.871 1.00 1.44 H new ATOM 0 HE ARG A 91 -1.010 -3.262 -12.534 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -2.338 -6.544 -12.500 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -0.845 -7.270 -13.105 1.00 3.39 H new ATOM 0 HH21 ARG A 91 0.875 -4.199 -13.330 1.00 4.16 H new ATOM 0 HH22 ARG A 91 0.967 -5.946 -13.574 1.00 4.16 H new ATOM 1376 N GLU A 92 -4.683 -4.556 -7.807 1.00 0.57 N ATOM 1377 CA GLU A 92 -6.111 -4.819 -7.674 1.00 0.61 C ATOM 1378 C GLU A 92 -6.631 -4.227 -6.365 1.00 0.51 C ATOM 1379 O GLU A 92 -7.796 -3.845 -6.254 1.00 0.56 O ATOM 1380 CB GLU A 92 -6.356 -6.331 -7.731 1.00 0.74 C ATOM 1381 CG GLU A 92 -7.798 -6.726 -7.996 1.00 1.44 C ATOM 1382 CD GLU A 92 -7.933 -8.199 -8.333 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -7.816 -9.039 -7.417 1.00 2.26 O ATOM 1384 OE2 GLU A 92 -8.135 -8.524 -9.523 1.00 2.68 O ATOM 0 H GLU A 92 -4.089 -5.373 -7.661 1.00 0.57 H new ATOM 0 HA GLU A 92 -6.651 -4.347 -8.495 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -5.726 -6.759 -8.511 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -6.039 -6.773 -6.787 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -8.403 -6.498 -7.118 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -8.192 -6.129 -8.818 1.00 1.44 H new ATOM 1391 N THR A 93 -5.741 -4.141 -5.388 1.00 0.44 N ATOM 1392 CA THR A 93 -6.060 -3.558 -4.096 1.00 0.38 C ATOM 1393 C THR A 93 -6.242 -2.048 -4.216 1.00 0.33 C ATOM 1394 O THR A 93 -7.222 -1.485 -3.723 1.00 0.37 O ATOM 1395 CB THR A 93 -4.927 -3.837 -3.096 1.00 0.36 C ATOM 1396 OG1 THR A 93 -4.528 -5.210 -3.182 1.00 0.47 O ATOM 1397 CG2 THR A 93 -5.360 -3.519 -1.677 1.00 0.36 C ATOM 0 H THR A 93 -4.780 -4.473 -5.469 1.00 0.44 H new ATOM 0 HA THR A 93 -6.988 -4.009 -3.745 1.00 0.38 H new ATOM 0 HB THR A 93 -4.084 -3.194 -3.350 1.00 0.36 H new ATOM 0 HG1 THR A 93 -3.805 -5.381 -2.543 1.00 0.47 H new ATOM 0 HG21 THR A 93 -4.539 -3.726 -0.991 1.00 0.36 H new ATOM 0 HG22 THR A 93 -5.634 -2.466 -1.608 1.00 0.36 H new ATOM 0 HG23 THR A 93 -6.218 -4.136 -1.412 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.292 -1.410 -4.889 1.00 0.33 N ATOM 1406 CA ASP A 94 -5.278 0.040 -5.040 1.00 0.39 C ATOM 1407 C ASP A 94 -6.548 0.516 -5.736 1.00 0.43 C ATOM 1408 O ASP A 94 -7.185 1.476 -5.303 1.00 0.50 O ATOM 1409 CB ASP A 94 -4.041 0.462 -5.842 1.00 0.48 C ATOM 1410 CG ASP A 94 -3.663 1.922 -5.653 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -4.554 2.755 -5.397 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -2.469 2.250 -5.790 1.00 1.18 O ATOM 0 H ASP A 94 -4.511 -1.882 -5.345 1.00 0.33 H new ATOM 0 HA ASP A 94 -5.237 0.499 -4.052 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -3.198 -0.164 -5.550 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -4.224 0.277 -6.900 1.00 0.48 H new ATOM 1417 N GLU A 95 -6.928 -0.179 -6.804 1.00 0.43 N ATOM 1418 CA GLU A 95 -8.132 0.161 -7.551 1.00 0.49 C ATOM 1419 C GLU A 95 -9.377 0.012 -6.679 1.00 0.45 C ATOM 1420 O GLU A 95 -10.317 0.802 -6.787 1.00 0.50 O ATOM 1421 CB GLU A 95 -8.257 -0.713 -8.801 1.00 0.60 C ATOM 1422 CG GLU A 95 -7.072 -0.601 -9.746 1.00 0.72 C ATOM 1423 CD GLU A 95 -6.822 0.817 -10.215 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -7.391 1.220 -11.249 1.00 1.23 O ATOM 1425 OE2 GLU A 95 -6.068 1.549 -9.540 1.00 1.94 O ATOM 0 H GLU A 95 -6.418 -0.982 -7.171 1.00 0.43 H new ATOM 0 HA GLU A 95 -8.050 1.203 -7.859 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.370 -1.753 -8.496 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -9.165 -0.437 -9.337 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -6.179 -0.975 -9.246 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -7.244 -1.240 -10.612 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.371 -0.992 -5.806 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.482 -1.213 -4.885 1.00 0.41 C ATOM 1434 C PHE A 96 -10.635 -0.028 -3.936 1.00 0.36 C ATOM 1435 O PHE A 96 -11.740 0.469 -3.719 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.271 -2.505 -4.090 1.00 0.44 C ATOM 1437 CG PHE A 96 -11.301 -2.738 -3.017 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -12.589 -3.133 -3.348 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -10.980 -2.562 -1.680 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -13.535 -3.348 -2.364 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -11.923 -2.775 -0.693 1.00 0.62 C ATOM 1442 CZ PHE A 96 -13.202 -3.168 -1.036 1.00 0.72 C ATOM 0 H PHE A 96 -8.610 -1.665 -5.717 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.397 -1.310 -5.470 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -10.282 -3.349 -4.779 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.282 -2.480 -3.631 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -12.855 -3.274 -4.385 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -9.981 -2.255 -1.407 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -14.534 -3.657 -2.633 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -11.661 -2.634 0.345 1.00 0.62 H new ATOM 0 HZ PHE A 96 -13.941 -3.334 -0.266 1.00 0.72 H new ATOM 1452 N PHE A 97 -9.522 0.425 -3.381 1.00 0.32 N ATOM 1453 CA PHE A 97 -9.535 1.586 -2.499 1.00 0.32 C ATOM 1454 C PHE A 97 -9.927 2.853 -3.257 1.00 0.39 C ATOM 1455 O PHE A 97 -10.623 3.715 -2.716 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.180 1.759 -1.810 1.00 0.30 C ATOM 1457 CG PHE A 97 -7.975 0.804 -0.667 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -8.566 1.049 0.560 1.00 0.38 C ATOM 1459 CD2 PHE A 97 -7.200 -0.335 -0.815 1.00 0.37 C ATOM 1460 CE1 PHE A 97 -8.392 0.181 1.618 1.00 0.41 C ATOM 1461 CE2 PHE A 97 -7.020 -1.210 0.243 1.00 0.40 C ATOM 1462 CZ PHE A 97 -7.619 -0.950 1.461 1.00 0.35 C ATOM 0 H PHE A 97 -8.601 0.010 -3.523 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.288 1.413 -1.730 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.385 1.616 -2.542 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -8.094 2.781 -1.442 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -9.173 1.933 0.691 1.00 0.38 H new ATOM 0 HD2 PHE A 97 -6.731 -0.543 -1.766 1.00 0.37 H new ATOM 0 HE1 PHE A 97 -8.861 0.387 2.569 1.00 0.41 H new ATOM 0 HE2 PHE A 97 -6.413 -2.094 0.117 1.00 0.40 H new ATOM 0 HZ PHE A 97 -7.482 -1.631 2.288 1.00 0.35 H new ATOM 1472 N LYS A 98 -9.479 2.968 -4.506 1.00 0.43 N ATOM 1473 CA LYS A 98 -9.815 4.129 -5.329 1.00 0.53 C ATOM 1474 C LYS A 98 -11.324 4.269 -5.511 1.00 0.56 C ATOM 1475 O LYS A 98 -11.880 5.340 -5.279 1.00 0.61 O ATOM 1476 CB LYS A 98 -9.160 4.051 -6.710 1.00 0.63 C ATOM 1477 CG LYS A 98 -7.660 4.290 -6.719 1.00 0.85 C ATOM 1478 CD LYS A 98 -7.165 4.515 -8.140 1.00 1.13 C ATOM 1479 CE LYS A 98 -5.653 4.642 -8.211 1.00 1.31 C ATOM 1480 NZ LYS A 98 -4.975 3.350 -7.948 1.00 1.92 N ATOM 0 H LYS A 98 -8.887 2.277 -4.968 1.00 0.43 H new ATOM 0 HA LYS A 98 -9.432 5.001 -4.798 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -9.359 3.068 -7.136 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -9.634 4.783 -7.363 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -7.420 5.156 -6.103 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -7.147 3.434 -6.280 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -7.488 3.686 -8.770 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -7.623 5.419 -8.543 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -5.366 5.008 -9.197 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -5.317 5.382 -7.485 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -3.944 3.487 -7.972 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -5.255 2.995 -7.011 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -5.249 2.660 -8.676 1.00 1.92 H new ATOM 1494 N LYS A 99 -11.990 3.184 -5.898 1.00 0.55 N ATOM 1495 CA LYS A 99 -13.429 3.229 -6.153 1.00 0.63 C ATOM 1496 C LYS A 99 -14.216 3.385 -4.858 1.00 0.63 C ATOM 1497 O LYS A 99 -15.380 3.788 -4.870 1.00 0.75 O ATOM 1498 CB LYS A 99 -13.901 1.970 -6.891 1.00 0.66 C ATOM 1499 CG LYS A 99 -13.593 0.675 -6.156 1.00 0.60 C ATOM 1500 CD LYS A 99 -14.434 -0.483 -6.668 1.00 0.76 C ATOM 1501 CE LYS A 99 -15.892 -0.337 -6.261 1.00 1.62 C ATOM 1502 NZ LYS A 99 -16.704 -1.520 -6.655 1.00 2.04 N ATOM 0 H LYS A 99 -11.562 2.270 -6.041 1.00 0.55 H new ATOM 0 HA LYS A 99 -13.615 4.099 -6.784 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -14.977 2.037 -7.053 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -13.431 1.939 -7.874 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -12.536 0.435 -6.272 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -13.774 0.811 -5.090 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -14.362 -0.534 -7.754 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -14.039 -1.421 -6.278 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -15.955 -0.198 -5.182 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -16.309 0.558 -6.722 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -17.691 -1.378 -6.358 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -16.666 -1.639 -7.688 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -16.323 -2.371 -6.195 1.00 2.04 H new ATOM 1516 N CYS A 100 -13.574 3.073 -3.743 1.00 0.55 N ATOM 1517 CA CYS A 100 -14.228 3.138 -2.448 1.00 0.60 C ATOM 1518 C CYS A 100 -14.014 4.515 -1.829 1.00 0.61 C ATOM 1519 O CYS A 100 -14.758 4.942 -0.945 1.00 0.68 O ATOM 1520 CB CYS A 100 -13.696 2.039 -1.523 1.00 0.60 C ATOM 1521 SG CYS A 100 -14.638 1.832 0.010 1.00 1.39 S ATOM 0 H CYS A 100 -12.600 2.772 -3.710 1.00 0.55 H new ATOM 0 HA CYS A 100 -15.298 2.977 -2.583 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -13.695 1.093 -2.065 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -12.659 2.263 -1.271 1.00 0.60 H new ATOM 0 HG CYS A 100 -14.109 0.879 0.719 1.00 1.39 H new ATOM 1527 N ARG A 101 -12.990 5.205 -2.342 1.00 0.59 N ATOM 1528 CA ARG A 101 -12.664 6.574 -1.947 1.00 0.65 C ATOM 1529 C ARG A 101 -12.186 6.645 -0.504 1.00 0.64 C ATOM 1530 O ARG A 101 -12.384 7.647 0.183 1.00 0.75 O ATOM 1531 CB ARG A 101 -13.862 7.502 -2.176 1.00 0.77 C ATOM 1532 CG ARG A 101 -14.321 7.551 -3.628 1.00 0.79 C ATOM 1533 CD ARG A 101 -13.385 8.375 -4.510 1.00 1.19 C ATOM 1534 NE ARG A 101 -11.983 7.966 -4.409 1.00 2.14 N ATOM 1535 CZ ARG A 101 -10.947 8.790 -4.586 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -11.151 10.062 -4.904 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -9.707 8.343 -4.433 1.00 4.09 N ATOM 0 H ARG A 101 -12.361 4.824 -3.048 1.00 0.59 H new ATOM 0 HA ARG A 101 -11.841 6.913 -2.577 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -14.692 7.172 -1.551 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -13.599 8.509 -1.852 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -14.384 6.536 -4.020 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -15.325 7.974 -3.674 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -13.707 8.290 -5.548 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -13.470 9.426 -4.235 1.00 1.19 H new ATOM 0 HE ARG A 101 -11.785 6.990 -4.190 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -12.102 10.414 -5.014 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -10.357 10.688 -5.038 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -9.544 7.369 -4.180 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -8.917 8.974 -4.569 1.00 4.09 H new ATOM 1551 N VAL A 102 -11.532 5.581 -0.069 1.00 0.55 N ATOM 1552 CA VAL A 102 -11.009 5.506 1.284 1.00 0.57 C ATOM 1553 C VAL A 102 -9.507 5.232 1.245 1.00 0.49 C ATOM 1554 O VAL A 102 -9.027 4.478 0.395 1.00 0.46 O ATOM 1555 CB VAL A 102 -11.738 4.412 2.106 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -11.479 3.026 1.539 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -11.338 4.474 3.574 1.00 1.42 C ATOM 0 H VAL A 102 -11.350 4.753 -0.637 1.00 0.55 H new ATOM 0 HA VAL A 102 -11.185 6.463 1.774 1.00 0.57 H new ATOM 0 HB VAL A 102 -12.808 4.608 2.034 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -12.005 2.283 2.139 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -11.837 2.981 0.510 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -10.409 2.818 1.560 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -11.864 3.696 4.128 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -10.263 4.320 3.665 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -11.601 5.450 3.982 1.00 1.42 H new ATOM 1567 N ILE A 103 -8.770 5.870 2.141 1.00 0.54 N ATOM 1568 CA ILE A 103 -7.328 5.703 2.204 1.00 0.50 C ATOM 1569 C ILE A 103 -6.973 4.441 2.986 1.00 0.43 C ATOM 1570 O ILE A 103 -7.478 4.219 4.089 1.00 0.46 O ATOM 1571 CB ILE A 103 -6.653 6.934 2.856 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -6.884 8.180 1.993 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -5.162 6.692 3.056 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -6.265 9.443 2.557 1.00 1.33 C ATOM 0 H ILE A 103 -9.150 6.511 2.837 1.00 0.54 H new ATOM 0 HA ILE A 103 -6.957 5.607 1.184 1.00 0.50 H new ATOM 0 HB ILE A 103 -7.103 7.096 3.835 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -6.477 8.001 0.998 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -7.957 8.334 1.875 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -4.709 7.571 3.515 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -5.017 5.828 3.705 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -4.691 6.504 2.091 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -6.472 10.279 1.889 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -6.690 9.649 3.539 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -5.187 9.310 2.648 1.00 1.33 H new ATOM 1586 N PRO A 104 -6.122 3.579 2.409 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.660 2.362 3.070 1.00 0.37 C ATOM 1588 C PRO A 104 -4.796 2.676 4.283 1.00 0.37 C ATOM 1589 O PRO A 104 -4.127 3.702 4.327 1.00 0.45 O ATOM 1590 CB PRO A 104 -4.830 1.639 2.000 1.00 0.41 C ATOM 1591 CG PRO A 104 -5.128 2.335 0.714 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.538 3.732 1.070 1.00 0.44 C ATOM 0 HA PRO A 104 -6.492 1.764 3.441 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -3.766 1.686 2.233 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -5.098 0.584 1.945 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -4.253 2.341 0.065 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -5.923 1.824 0.172 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -4.686 4.412 1.077 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -6.260 4.133 0.359 1.00 0.44 H new ATOM 1600 N SER A 105 -4.812 1.790 5.265 1.00 0.32 N ATOM 1601 CA SER A 105 -4.031 1.987 6.465 1.00 0.34 C ATOM 1602 C SER A 105 -3.909 0.667 7.217 1.00 0.34 C ATOM 1603 O SER A 105 -4.472 -0.347 6.780 1.00 0.33 O ATOM 1604 CB SER A 105 -4.674 3.069 7.348 1.00 0.43 C ATOM 1605 OG SER A 105 -3.815 3.468 8.406 1.00 1.42 O ATOM 0 H SER A 105 -5.359 0.929 5.251 1.00 0.32 H new ATOM 0 HA SER A 105 -3.031 2.327 6.195 1.00 0.34 H new ATOM 0 HB2 SER A 105 -4.923 3.936 6.736 1.00 0.43 H new ATOM 0 HB3 SER A 105 -5.609 2.691 7.762 1.00 0.43 H new ATOM 0 HG SER A 105 -2.883 3.316 8.146 1.00 1.42 H new ATOM 1611 N GLN A 106 -3.188 0.679 8.330 1.00 0.39 N ATOM 1612 CA GLN A 106 -2.974 -0.520 9.139 1.00 0.43 C ATOM 1613 C GLN A 106 -4.291 -1.190 9.561 1.00 0.45 C ATOM 1614 O GLN A 106 -4.322 -2.397 9.776 1.00 0.50 O ATOM 1615 CB GLN A 106 -2.105 -0.212 10.358 1.00 0.52 C ATOM 1616 CG GLN A 106 -0.698 0.236 9.994 1.00 0.68 C ATOM 1617 CD GLN A 106 0.224 0.311 11.193 1.00 0.96 C ATOM 1618 OE1 GLN A 106 0.076 -0.439 12.157 1.00 1.66 O ATOM 1619 NE2 GLN A 106 1.178 1.223 11.146 1.00 1.42 N ATOM 0 H GLN A 106 -2.735 1.515 8.699 1.00 0.39 H new ATOM 0 HA GLN A 106 -2.444 -1.233 8.507 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -2.585 0.567 10.951 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -2.045 -1.100 10.987 1.00 0.52 H new ATOM 0 HG2 GLN A 106 -0.280 -0.455 9.263 1.00 0.68 H new ATOM 0 HG3 GLN A 106 -0.746 1.215 9.517 1.00 0.68 H new ATOM 0 HE21 GLN A 106 1.267 1.826 10.328 1.00 1.42 H new ATOM 0 HE22 GLN A 106 1.825 1.324 11.928 1.00 1.42 H new ATOM 1628 N GLU A 107 -5.371 -0.416 9.662 1.00 0.46 N ATOM 1629 CA GLU A 107 -6.683 -0.952 10.062 1.00 0.51 C ATOM 1630 C GLU A 107 -7.119 -2.103 9.148 1.00 0.42 C ATOM 1631 O GLU A 107 -7.809 -3.030 9.574 1.00 0.49 O ATOM 1632 CB GLU A 107 -7.741 0.160 9.999 1.00 0.59 C ATOM 1633 CG GLU A 107 -9.162 -0.326 10.248 1.00 1.41 C ATOM 1634 CD GLU A 107 -10.209 0.662 9.772 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -10.445 0.751 8.545 1.00 2.82 O ATOM 1636 OE2 GLU A 107 -10.809 1.352 10.620 1.00 2.63 O ATOM 0 H GLU A 107 -5.369 0.586 9.473 1.00 0.46 H new ATOM 0 HA GLU A 107 -6.591 -1.330 11.080 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -7.495 0.925 10.736 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -7.696 0.635 9.019 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -9.310 -1.279 9.740 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -9.298 -0.508 11.314 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.696 -2.048 7.896 1.00 0.34 N ATOM 1644 CA HIS A 108 -7.101 -3.034 6.908 1.00 0.37 C ATOM 1645 C HIS A 108 -6.135 -4.215 6.882 1.00 0.46 C ATOM 1646 O HIS A 108 -6.410 -5.242 6.262 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.239 -2.371 5.538 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.270 -1.281 5.556 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -8.116 -0.073 4.914 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.453 -1.207 6.208 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -9.154 0.699 5.181 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -9.984 0.036 5.968 1.00 0.52 N ATOM 0 H HIS A 108 -6.069 -1.327 7.539 1.00 0.34 H new ATOM 0 HA HIS A 108 -8.076 -3.435 7.185 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.277 -1.958 5.234 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.513 -3.121 4.796 1.00 0.38 H new ATOM 0 HD2 HIS A 108 -9.899 -1.985 6.809 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -9.300 1.705 4.817 1.00 0.52 H new ATOM 0 HE2 HIS A 108 -10.868 0.388 6.334 1.00 0.52 H new ATOM 1661 N LEU A 109 -4.986 -4.043 7.528 1.00 0.52 N ATOM 1662 CA LEU A 109 -4.016 -5.121 7.666 1.00 0.70 C ATOM 1663 C LEU A 109 -4.595 -6.253 8.504 1.00 0.79 C ATOM 1664 O LEU A 109 -4.815 -6.097 9.710 1.00 1.24 O ATOM 1665 CB LEU A 109 -2.732 -4.604 8.314 1.00 0.96 C ATOM 1666 CG LEU A 109 -1.952 -3.581 7.491 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -0.791 -3.030 8.300 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -1.452 -4.217 6.206 1.00 0.67 C ATOM 0 H LEU A 109 -4.705 -3.165 7.965 1.00 0.52 H new ATOM 0 HA LEU A 109 -3.783 -5.500 6.671 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -2.984 -4.156 9.275 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -2.081 -5.453 8.519 1.00 0.96 H new ATOM 0 HG LEU A 109 -2.615 -2.755 7.235 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -0.244 -2.302 7.701 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -1.171 -2.547 9.200 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -0.123 -3.845 8.580 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -0.897 -3.479 5.627 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -0.799 -5.056 6.446 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -2.301 -4.573 5.622 1.00 0.67 H new ATOM 1680 N ASN A 110 -4.844 -7.385 7.851 1.00 1.37 N ATOM 1681 CA ASN A 110 -5.459 -8.547 8.491 1.00 1.67 C ATOM 1682 C ASN A 110 -6.797 -8.165 9.112 1.00 1.44 C ATOM 1683 O ASN A 110 -7.172 -8.656 10.179 1.00 1.77 O ATOM 1684 CB ASN A 110 -4.529 -9.156 9.551 1.00 2.17 C ATOM 1685 CG ASN A 110 -3.325 -9.861 8.951 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -2.829 -9.483 7.889 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -2.853 -10.896 9.625 1.00 3.35 N ATOM 0 H ASN A 110 -4.626 -7.524 6.864 1.00 1.37 H new ATOM 0 HA ASN A 110 -5.631 -9.302 7.724 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -4.185 -8.368 10.220 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -5.093 -9.865 10.157 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -2.049 -11.413 9.269 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -3.293 -11.177 10.501 1.00 3.35 H new ATOM 1694 N GLY A 111 -7.506 -7.273 8.439 1.00 1.12 N ATOM 1695 CA GLY A 111 -8.783 -6.811 8.931 1.00 1.12 C ATOM 1696 C GLY A 111 -9.825 -6.766 7.836 1.00 0.87 C ATOM 1697 O GLY A 111 -9.605 -7.300 6.749 1.00 0.93 O ATOM 0 H GLY A 111 -7.215 -6.859 7.553 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -9.124 -7.469 9.730 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -8.668 -5.817 9.364 1.00 1.12 H new ATOM 1701 N PRO A 112 -10.974 -6.128 8.091 1.00 0.86 N ATOM 1702 CA PRO A 112 -12.059 -6.046 7.121 1.00 0.93 C ATOM 1703 C PRO A 112 -11.811 -4.979 6.060 1.00 0.89 C ATOM 1704 O PRO A 112 -11.141 -3.974 6.313 1.00 1.31 O ATOM 1705 CB PRO A 112 -13.262 -5.676 7.986 1.00 1.25 C ATOM 1706 CG PRO A 112 -12.689 -4.887 9.114 1.00 1.30 C ATOM 1707 CD PRO A 112 -11.302 -5.430 9.349 1.00 1.10 C ATOM 0 HA PRO A 112 -12.184 -6.972 6.560 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -13.990 -5.091 7.423 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -13.779 -6.565 8.347 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -12.654 -3.826 8.868 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -13.302 -4.987 10.009 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -10.591 -4.631 9.559 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -11.279 -6.110 10.201 1.00 1.10 H new ATOM 1715 N LEU A 113 -12.342 -5.213 4.870 1.00 0.62 N ATOM 1716 CA LEU A 113 -12.265 -4.240 3.798 1.00 0.58 C ATOM 1717 C LEU A 113 -13.520 -3.382 3.805 1.00 0.69 C ATOM 1718 O LEU A 113 -14.634 -3.905 3.886 1.00 0.90 O ATOM 1719 CB LEU A 113 -12.099 -4.932 2.442 1.00 0.58 C ATOM 1720 CG LEU A 113 -10.842 -5.789 2.300 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -10.724 -6.328 0.889 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -9.599 -4.993 2.686 1.00 1.05 C ATOM 0 H LEU A 113 -12.832 -6.073 4.624 1.00 0.62 H new ATOM 0 HA LEU A 113 -11.392 -3.607 3.958 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -12.971 -5.561 2.264 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -12.091 -4.171 1.662 1.00 0.58 H new ATOM 0 HG LEU A 113 -10.923 -6.636 2.982 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -9.823 -6.936 0.806 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -11.597 -6.939 0.659 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -10.667 -5.497 0.186 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -8.716 -5.622 2.578 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -9.507 -4.123 2.035 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -9.685 -4.664 3.721 1.00 1.05 H new