USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 848 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 12 LYS NZ :NH3+ -156:sc= 1.16 (180deg=0) USER MOD Set 1.2: A 89 HIS : no HD1:sc= 1.01 K(o=2.2,f=-7.4!) USER MOD Set 2.1: A 29 TYR OH : rot -9:sc= 0.687 USER MOD Set 2.2: A 80 ASN : amide:sc= -2.4 K(o=-0.35,f=-3.2!) USER MOD Set 2.3: A 97 THR OG1 : rot 114:sc= 1.36 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.0476 K(o=-0.048,f=-6.4!) USER MOD Single : A 39 ASN : amide:sc=-0.000607 K(o=-0.00061,f=-1.3) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 0.864 (180deg=0.668!) USER MOD Single : A 53 SER OG : rot 180:sc= 0.565 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.332 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0838) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -141:sc= -0.0458 (180deg=-0.286) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.102 K(o=-0.1,f=-3.9!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 86:sc= 1.24 USER MOD Single : A 83 CYS SG : rot 126:sc= -0.613 USER MOD Single : A 87 CYS SG : rot 126:sc= -0.153 USER MOD Single : A 93 LYS NZ :NH3+ 152:sc=-0.00216 (180deg=-1.03) USER MOD Single : A 95 LYS NZ :NH3+ -169:sc=-0.00417 (180deg=-0.121) USER MOD Single : A 101 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.0905) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 107 HIS : no HD1:sc= 0.522 K(o=0.52,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 7 7.077 3.105 -12.966 1.00 63.04 N ATOM 68 CA VAL A 7 8.028 4.011 -13.599 1.00 40.41 C ATOM 69 C VAL A 7 9.454 3.716 -13.147 1.00 73.52 C ATOM 70 O VAL A 7 10.367 3.606 -13.967 1.00 14.31 O ATOM 71 CB VAL A 7 7.696 5.482 -13.284 1.00 41.12 C ATOM 72 CG1 VAL A 7 8.598 6.415 -14.078 1.00 71.01 C ATOM 73 CG2 VAL A 7 6.231 5.771 -13.573 1.00 34.34 C ATOM 0 HA VAL A 7 7.950 3.850 -14.674 1.00 40.41 H new ATOM 0 HB VAL A 7 7.875 5.657 -12.223 1.00 41.12 H new ATOM 0 HG11 VAL A 7 8.349 7.450 -13.842 1.00 71.01 H new ATOM 0 HG12 VAL A 7 9.639 6.224 -13.817 1.00 71.01 H new ATOM 0 HG13 VAL A 7 8.453 6.241 -15.144 1.00 71.01 H new ATOM 0 HG21 VAL A 7 6.014 6.815 -13.345 1.00 34.34 H new ATOM 0 HG22 VAL A 7 6.023 5.579 -14.626 1.00 34.34 H new ATOM 0 HG23 VAL A 7 5.604 5.127 -12.956 1.00 34.34 H new ATOM 83 N LEU A 8 9.638 3.586 -11.838 1.00 44.31 N ATOM 84 CA LEU A 8 10.954 3.302 -11.276 1.00 21.05 C ATOM 85 C LEU A 8 10.885 2.141 -10.289 1.00 10.04 C ATOM 86 O LEU A 8 10.048 2.129 -9.386 1.00 55.53 O ATOM 87 CB LEU A 8 11.513 4.545 -10.580 1.00 74.22 C ATOM 88 CG LEU A 8 11.800 5.746 -11.482 1.00 21.04 C ATOM 89 CD1 LEU A 8 12.467 6.860 -10.690 1.00 25.21 C ATOM 90 CD2 LEU A 8 12.669 5.332 -12.660 1.00 41.43 C ATOM 0 H LEU A 8 8.893 3.673 -11.146 1.00 44.31 H new ATOM 0 HA LEU A 8 11.618 3.022 -12.094 1.00 21.05 H new ATOM 0 HB2 LEU A 8 10.806 4.855 -9.810 1.00 74.22 H new ATOM 0 HB3 LEU A 8 12.437 4.268 -10.072 1.00 74.22 H new ATOM 0 HG LEU A 8 10.853 6.121 -11.869 1.00 21.04 H new ATOM 0 HD11 LEU A 8 12.664 7.707 -11.348 1.00 25.21 H new ATOM 0 HD12 LEU A 8 11.809 7.175 -9.880 1.00 25.21 H new ATOM 0 HD13 LEU A 8 13.407 6.498 -10.274 1.00 25.21 H new ATOM 0 HD21 LEU A 8 12.863 6.199 -13.291 1.00 41.43 H new ATOM 0 HD22 LEU A 8 13.614 4.932 -12.292 1.00 41.43 H new ATOM 0 HD23 LEU A 8 12.153 4.568 -13.242 1.00 41.43 H new ATOM 102 N ARG A 9 11.772 1.167 -10.465 1.00 40.33 N ATOM 103 CA ARG A 9 11.812 0.002 -9.590 1.00 3.32 C ATOM 104 C ARG A 9 12.624 0.296 -8.332 1.00 23.44 C ATOM 105 O ARG A 9 13.000 1.439 -8.075 1.00 60.33 O ATOM 106 CB ARG A 9 12.411 -1.197 -10.328 1.00 12.41 C ATOM 107 CG ARG A 9 13.874 -1.016 -10.696 1.00 63.34 C ATOM 108 CD ARG A 9 14.221 -1.754 -11.980 1.00 34.50 C ATOM 109 NE ARG A 9 13.844 -3.164 -11.919 1.00 73.14 N ATOM 110 CZ ARG A 9 14.491 -4.067 -11.191 1.00 73.22 C ATOM 111 NH1 ARG A 9 15.541 -3.709 -10.465 1.00 71.42 N ATOM 112 NH2 ARG A 9 14.087 -5.331 -11.188 1.00 21.23 N ATOM 0 H ARG A 9 12.473 1.162 -11.206 1.00 40.33 H new ATOM 0 HA ARG A 9 10.790 -0.236 -9.295 1.00 3.32 H new ATOM 0 HB2 ARG A 9 12.309 -2.085 -9.704 1.00 12.41 H new ATOM 0 HB3 ARG A 9 11.836 -1.378 -11.236 1.00 12.41 H new ATOM 0 HG2 ARG A 9 14.092 0.045 -10.815 1.00 63.34 H new ATOM 0 HG3 ARG A 9 14.503 -1.381 -9.884 1.00 63.34 H new ATOM 0 HD2 ARG A 9 13.714 -1.279 -12.820 1.00 34.50 H new ATOM 0 HD3 ARG A 9 15.292 -1.673 -12.167 1.00 34.50 H new ATOM 0 HE ARG A 9 13.040 -3.472 -12.466 1.00 73.14 H new ATOM 0 HH11 ARG A 9 15.854 -2.738 -10.465 1.00 71.42 H new ATOM 0 HH12 ARG A 9 16.036 -4.404 -9.907 1.00 71.42 H new ATOM 0 HH21 ARG A 9 13.279 -5.610 -11.745 1.00 21.23 H new ATOM 0 HH22 ARG A 9 14.584 -6.024 -10.629 1.00 21.23 H new ATOM 126 N GLY A 10 12.891 -0.746 -7.549 1.00 51.11 N ATOM 127 CA GLY A 10 13.656 -0.579 -6.327 1.00 73.11 C ATOM 128 C GLY A 10 15.050 -0.042 -6.584 1.00 73.23 C ATOM 129 O GLY A 10 15.516 0.858 -5.885 1.00 73.22 O ATOM 0 H GLY A 10 12.591 -1.702 -7.740 1.00 51.11 H new ATOM 0 HA2 GLY A 10 13.126 0.101 -5.660 1.00 73.11 H new ATOM 0 HA3 GLY A 10 13.728 -1.538 -5.813 1.00 73.11 H new ATOM 133 N LYS A 11 15.719 -0.596 -7.589 1.00 62.25 N ATOM 134 CA LYS A 11 17.069 -0.169 -7.938 1.00 51.31 C ATOM 135 C LYS A 11 17.055 1.226 -8.556 1.00 63.33 C ATOM 136 O LYS A 11 17.890 2.070 -8.229 1.00 32.43 O ATOM 137 CB LYS A 11 17.706 -1.163 -8.911 1.00 74.43 C ATOM 138 CG LYS A 11 19.213 -1.277 -8.766 1.00 2.34 C ATOM 139 CD LYS A 11 19.741 -2.552 -9.401 1.00 35.44 C ATOM 140 CE LYS A 11 19.762 -3.703 -8.406 1.00 5.44 C ATOM 141 NZ LYS A 11 21.121 -3.915 -7.834 1.00 31.52 N ATOM 0 H LYS A 11 15.348 -1.342 -8.177 1.00 62.25 H new ATOM 0 HA LYS A 11 17.661 -0.137 -7.023 1.00 51.31 H new ATOM 0 HB2 LYS A 11 17.260 -2.145 -8.757 1.00 74.43 H new ATOM 0 HB3 LYS A 11 17.470 -0.862 -9.931 1.00 74.43 H new ATOM 0 HG2 LYS A 11 19.690 -0.414 -9.230 1.00 2.34 H new ATOM 0 HG3 LYS A 11 19.480 -1.259 -7.709 1.00 2.34 H new ATOM 0 HD2 LYS A 11 19.119 -2.819 -10.255 1.00 35.44 H new ATOM 0 HD3 LYS A 11 20.748 -2.380 -9.782 1.00 35.44 H new ATOM 0 HE2 LYS A 11 19.056 -3.500 -7.601 1.00 5.44 H new ATOM 0 HE3 LYS A 11 19.429 -4.616 -8.899 1.00 5.44 H new ATOM 0 HZ1 LYS A 11 21.095 -4.707 -7.161 1.00 31.52 H new ATOM 0 HZ2 LYS A 11 21.790 -4.134 -8.600 1.00 31.52 H new ATOM 0 HZ3 LYS A 11 21.429 -3.052 -7.341 1.00 31.52 H new ATOM 155 N LYS A 12 16.102 1.462 -9.451 1.00 50.01 N ATOM 156 CA LYS A 12 15.977 2.755 -10.114 1.00 22.15 C ATOM 157 C LYS A 12 15.654 3.853 -9.106 1.00 55.50 C ATOM 158 O LYS A 12 16.141 4.977 -9.221 1.00 41.53 O ATOM 159 CB LYS A 12 14.889 2.697 -11.188 1.00 44.44 C ATOM 160 CG LYS A 12 15.272 1.860 -12.397 1.00 12.24 C ATOM 161 CD LYS A 12 14.195 1.903 -13.468 1.00 45.43 C ATOM 162 CE LYS A 12 14.385 0.797 -14.494 1.00 65.41 C ATOM 163 NZ LYS A 12 14.896 1.323 -15.790 1.00 41.11 N ATOM 0 H LYS A 12 15.404 0.774 -9.734 1.00 50.01 H new ATOM 0 HA LYS A 12 16.932 2.988 -10.586 1.00 22.15 H new ATOM 0 HB2 LYS A 12 13.978 2.290 -10.749 1.00 44.44 H new ATOM 0 HB3 LYS A 12 14.660 3.711 -11.516 1.00 44.44 H new ATOM 0 HG2 LYS A 12 16.212 2.225 -12.810 1.00 12.24 H new ATOM 0 HG3 LYS A 12 15.439 0.828 -12.088 1.00 12.24 H new ATOM 0 HD2 LYS A 12 13.214 1.805 -13.003 1.00 45.43 H new ATOM 0 HD3 LYS A 12 14.216 2.872 -13.968 1.00 45.43 H new ATOM 0 HE2 LYS A 12 15.082 0.055 -14.103 1.00 65.41 H new ATOM 0 HE3 LYS A 12 13.436 0.287 -14.658 1.00 65.41 H new ATOM 0 HZ1 LYS A 12 14.638 0.669 -16.556 1.00 41.11 H new ATOM 0 HZ2 LYS A 12 14.477 2.256 -15.975 1.00 41.11 H new ATOM 0 HZ3 LYS A 12 15.931 1.411 -15.745 1.00 41.11 H new ATOM 177 N ALA A 13 14.829 3.520 -8.118 1.00 44.12 N ATOM 178 CA ALA A 13 14.444 4.477 -7.089 1.00 1.52 C ATOM 179 C ALA A 13 15.668 5.160 -6.488 1.00 22.11 C ATOM 180 O ALA A 13 15.664 6.368 -6.253 1.00 44.42 O ATOM 181 CB ALA A 13 13.636 3.786 -6.001 1.00 13.00 C ATOM 0 H ALA A 13 14.415 2.594 -8.009 1.00 44.12 H new ATOM 0 HA ALA A 13 13.825 5.244 -7.555 1.00 1.52 H new ATOM 0 HB1 ALA A 13 13.355 4.513 -5.239 1.00 13.00 H new ATOM 0 HB2 ALA A 13 12.736 3.351 -6.437 1.00 13.00 H new ATOM 0 HB3 ALA A 13 14.237 2.998 -5.547 1.00 13.00 H new ATOM 187 N ASP A 14 16.714 4.378 -6.241 1.00 15.34 N ATOM 188 CA ASP A 14 17.945 4.908 -5.667 1.00 23.31 C ATOM 189 C ASP A 14 18.496 6.047 -6.519 1.00 52.10 C ATOM 190 O ASP A 14 18.771 7.135 -6.014 1.00 24.32 O ATOM 191 CB ASP A 14 18.991 3.799 -5.539 1.00 1.03 C ATOM 192 CG ASP A 14 19.658 3.787 -4.177 1.00 43.14 C ATOM 193 OD1 ASP A 14 18.998 3.386 -3.197 1.00 34.41 O ATOM 194 OD2 ASP A 14 20.841 4.180 -4.092 1.00 52.13 O ATOM 0 H ASP A 14 16.734 3.376 -6.429 1.00 15.34 H new ATOM 0 HA ASP A 14 17.716 5.298 -4.675 1.00 23.31 H new ATOM 0 HB2 ASP A 14 18.517 2.834 -5.717 1.00 1.03 H new ATOM 0 HB3 ASP A 14 19.750 3.928 -6.311 1.00 1.03 H new ATOM 199 N GLU A 15 18.654 5.788 -7.813 1.00 51.44 N ATOM 200 CA GLU A 15 19.173 6.792 -8.734 1.00 45.44 C ATOM 201 C GLU A 15 18.372 8.087 -8.637 1.00 14.11 C ATOM 202 O GLU A 15 18.932 9.183 -8.680 1.00 24.15 O ATOM 203 CB GLU A 15 19.139 6.265 -10.171 1.00 4.55 C ATOM 204 CG GLU A 15 20.502 5.848 -10.698 1.00 52.22 C ATOM 205 CD GLU A 15 20.470 4.502 -11.396 1.00 52.43 C ATOM 206 OE1 GLU A 15 20.043 3.515 -10.763 1.00 34.21 O ATOM 207 OE2 GLU A 15 20.872 4.438 -12.577 1.00 22.51 O ATOM 0 H GLU A 15 18.430 4.892 -8.247 1.00 51.44 H new ATOM 0 HA GLU A 15 20.206 7.003 -8.456 1.00 45.44 H new ATOM 0 HB2 GLU A 15 18.463 5.411 -10.220 1.00 4.55 H new ATOM 0 HB3 GLU A 15 18.727 7.036 -10.822 1.00 4.55 H new ATOM 0 HG2 GLU A 15 20.866 6.605 -11.393 1.00 52.22 H new ATOM 0 HG3 GLU A 15 21.211 5.807 -9.871 1.00 52.22 H new ATOM 214 N LEU A 16 17.056 7.953 -8.506 1.00 64.23 N ATOM 215 CA LEU A 16 16.176 9.111 -8.403 1.00 54.22 C ATOM 216 C LEU A 16 16.539 9.966 -7.193 1.00 62.41 C ATOM 217 O LEU A 16 16.819 11.157 -7.324 1.00 62.44 O ATOM 218 CB LEU A 16 14.717 8.660 -8.304 1.00 3.41 C ATOM 219 CG LEU A 16 13.664 9.719 -8.631 1.00 53.13 C ATOM 220 CD1 LEU A 16 13.611 10.775 -7.538 1.00 52.33 C ATOM 221 CD2 LEU A 16 13.953 10.360 -9.981 1.00 32.30 C ATOM 0 H LEU A 16 16.576 7.054 -8.469 1.00 64.23 H new ATOM 0 HA LEU A 16 16.304 9.714 -9.302 1.00 54.22 H new ATOM 0 HB2 LEU A 16 14.573 7.814 -8.975 1.00 3.41 H new ATOM 0 HB3 LEU A 16 14.537 8.298 -7.292 1.00 3.41 H new ATOM 0 HG LEU A 16 12.691 9.231 -8.684 1.00 53.13 H new ATOM 0 HD11 LEU A 16 12.856 11.520 -7.788 1.00 52.33 H new ATOM 0 HD12 LEU A 16 13.355 10.304 -6.589 1.00 52.33 H new ATOM 0 HD13 LEU A 16 14.584 11.259 -7.452 1.00 52.33 H new ATOM 0 HD21 LEU A 16 13.193 11.111 -10.197 1.00 32.30 H new ATOM 0 HD22 LEU A 16 14.935 10.833 -9.956 1.00 32.30 H new ATOM 0 HD23 LEU A 16 13.938 9.595 -10.758 1.00 32.30 H new ATOM 233 N GLU A 17 16.534 9.348 -6.016 1.00 24.11 N ATOM 234 CA GLU A 17 16.865 10.053 -4.783 1.00 22.41 C ATOM 235 C GLU A 17 18.301 10.569 -4.820 1.00 33.24 C ATOM 236 O GLU A 17 18.673 11.456 -4.051 1.00 35.42 O ATOM 237 CB GLU A 17 16.673 9.132 -3.576 1.00 24.11 C ATOM 238 CG GLU A 17 15.528 9.548 -2.669 1.00 10.34 C ATOM 239 CD GLU A 17 14.890 8.371 -1.956 1.00 43.24 C ATOM 240 OE1 GLU A 17 15.450 7.921 -0.935 1.00 61.32 O ATOM 241 OE2 GLU A 17 13.831 7.901 -2.421 1.00 34.12 O ATOM 0 H GLU A 17 16.305 8.362 -5.890 1.00 24.11 H new ATOM 0 HA GLU A 17 16.193 10.906 -4.691 1.00 22.41 H new ATOM 0 HB2 GLU A 17 16.495 8.116 -3.929 1.00 24.11 H new ATOM 0 HB3 GLU A 17 17.595 9.110 -2.996 1.00 24.11 H new ATOM 0 HG2 GLU A 17 15.895 10.260 -1.930 1.00 10.34 H new ATOM 0 HG3 GLU A 17 14.771 10.064 -3.260 1.00 10.34 H new ATOM 248 N ARG A 18 19.103 10.007 -5.718 1.00 74.22 N ATOM 249 CA ARG A 18 20.497 10.408 -5.855 1.00 5.25 C ATOM 250 C ARG A 18 20.612 11.726 -6.615 1.00 0.22 C ATOM 251 O ARG A 18 21.289 12.654 -6.170 1.00 60.31 O ATOM 252 CB ARG A 18 21.295 9.320 -6.576 1.00 3.24 C ATOM 253 CG ARG A 18 22.225 8.539 -5.661 1.00 10.50 C ATOM 254 CD ARG A 18 23.277 9.441 -5.034 1.00 51.55 C ATOM 255 NE ARG A 18 23.243 9.391 -3.575 1.00 73.53 N ATOM 256 CZ ARG A 18 23.637 8.338 -2.867 1.00 75.23 C ATOM 257 NH1 ARG A 18 24.092 7.255 -3.481 1.00 63.33 N ATOM 258 NH2 ARG A 18 23.575 8.368 -1.542 1.00 63.51 N ATOM 0 H ARG A 18 18.811 9.272 -6.362 1.00 74.22 H new ATOM 0 HA ARG A 18 20.908 10.548 -4.855 1.00 5.25 H new ATOM 0 HB2 ARG A 18 20.601 8.627 -7.052 1.00 3.24 H new ATOM 0 HB3 ARG A 18 21.882 9.779 -7.371 1.00 3.24 H new ATOM 0 HG2 ARG A 18 21.643 8.056 -4.876 1.00 10.50 H new ATOM 0 HG3 ARG A 18 22.714 7.747 -6.228 1.00 10.50 H new ATOM 0 HD2 ARG A 18 24.265 9.142 -5.384 1.00 51.55 H new ATOM 0 HD3 ARG A 18 23.118 10.467 -5.365 1.00 51.55 H new ATOM 0 HE ARG A 18 22.898 10.209 -3.072 1.00 73.53 H new ATOM 0 HH11 ARG A 18 24.140 7.229 -4.500 1.00 63.33 H new ATOM 0 HH12 ARG A 18 24.394 6.448 -2.935 1.00 63.33 H new ATOM 0 HH21 ARG A 18 23.225 9.200 -1.067 1.00 63.51 H new ATOM 0 HH22 ARG A 18 23.878 7.559 -0.999 1.00 63.51 H new ATOM 272 N ILE A 19 19.947 11.801 -7.763 1.00 32.14 N ATOM 273 CA ILE A 19 19.974 13.005 -8.584 1.00 31.03 C ATOM 274 C ILE A 19 19.514 14.223 -7.789 1.00 62.41 C ATOM 275 O ILE A 19 18.489 14.181 -7.108 1.00 44.41 O ATOM 276 CB ILE A 19 19.085 12.855 -9.832 1.00 54.11 C ATOM 277 CG1 ILE A 19 19.560 11.677 -10.685 1.00 35.11 C ATOM 278 CG2 ILE A 19 19.092 14.141 -10.645 1.00 14.11 C ATOM 279 CD1 ILE A 19 18.430 10.902 -11.327 1.00 43.14 C ATOM 0 H ILE A 19 19.383 11.042 -8.146 1.00 32.14 H new ATOM 0 HA ILE A 19 21.007 13.149 -8.899 1.00 31.03 H new ATOM 0 HB ILE A 19 18.063 12.657 -9.510 1.00 54.11 H new ATOM 0 HG12 ILE A 19 20.224 12.048 -11.465 1.00 35.11 H new ATOM 0 HG13 ILE A 19 20.146 11.001 -10.062 1.00 35.11 H new ATOM 0 HG21 ILE A 19 18.459 14.019 -11.524 1.00 14.11 H new ATOM 0 HG22 ILE A 19 18.711 14.960 -10.034 1.00 14.11 H new ATOM 0 HG23 ILE A 19 20.111 14.367 -10.960 1.00 14.11 H new ATOM 0 HD11 ILE A 19 18.840 10.082 -11.916 1.00 43.14 H new ATOM 0 HD12 ILE A 19 17.777 10.501 -10.552 1.00 43.14 H new ATOM 0 HD13 ILE A 19 17.857 11.564 -11.976 1.00 43.14 H new ATOM 291 N ARG A 20 20.278 15.306 -7.882 1.00 42.14 N ATOM 292 CA ARG A 20 19.949 16.536 -7.173 1.00 1.43 C ATOM 293 C ARG A 20 19.068 17.440 -8.030 1.00 74.54 C ATOM 294 O ARG A 20 19.285 17.574 -9.235 1.00 54.14 O ATOM 295 CB ARG A 20 21.227 17.279 -6.777 1.00 55.31 C ATOM 296 CG ARG A 20 21.946 16.664 -5.588 1.00 34.31 C ATOM 297 CD ARG A 20 23.316 16.132 -5.979 1.00 53.43 C ATOM 298 NE ARG A 20 24.348 17.161 -5.887 1.00 43.02 N ATOM 299 CZ ARG A 20 24.864 17.584 -4.738 1.00 61.34 C ATOM 300 NH1 ARG A 20 24.446 17.069 -3.591 1.00 33.44 N ATOM 301 NH2 ARG A 20 25.801 18.523 -4.736 1.00 50.42 N ATOM 0 H ARG A 20 21.129 15.357 -8.442 1.00 42.14 H new ATOM 0 HA ARG A 20 19.397 16.269 -6.272 1.00 1.43 H new ATOM 0 HB2 ARG A 20 21.905 17.298 -7.630 1.00 55.31 H new ATOM 0 HB3 ARG A 20 20.978 18.314 -6.544 1.00 55.31 H new ATOM 0 HG2 ARG A 20 22.055 17.411 -4.802 1.00 34.31 H new ATOM 0 HG3 ARG A 20 21.344 15.854 -5.177 1.00 34.31 H new ATOM 0 HD2 ARG A 20 23.579 15.296 -5.331 1.00 53.43 H new ATOM 0 HD3 ARG A 20 23.278 15.746 -6.998 1.00 53.43 H new ATOM 0 HE ARG A 20 24.692 17.578 -6.752 1.00 43.02 H new ATOM 0 HH11 ARG A 20 23.726 16.346 -3.589 1.00 33.44 H new ATOM 0 HH12 ARG A 20 24.844 17.395 -2.710 1.00 33.44 H new ATOM 0 HH21 ARG A 20 26.126 18.921 -5.617 1.00 50.42 H new ATOM 0 HH22 ARG A 20 26.196 18.847 -3.853 1.00 50.42 H new ATOM 315 N LEU A 21 18.073 18.056 -7.402 1.00 34.31 N ATOM 316 CA LEU A 21 17.157 18.946 -8.107 1.00 42.20 C ATOM 317 C LEU A 21 17.913 20.101 -8.757 1.00 61.41 C ATOM 318 O LEU A 21 17.584 20.526 -9.865 1.00 33.25 O ATOM 319 CB LEU A 21 16.101 19.491 -7.144 1.00 3.23 C ATOM 320 CG LEU A 21 14.911 18.573 -6.863 1.00 24.14 C ATOM 321 CD1 LEU A 21 14.129 19.068 -5.656 1.00 75.34 C ATOM 322 CD2 LEU A 21 14.009 18.480 -8.085 1.00 23.44 C ATOM 0 H LEU A 21 17.880 17.956 -6.406 1.00 34.31 H new ATOM 0 HA LEU A 21 16.663 18.372 -8.891 1.00 42.20 H new ATOM 0 HB2 LEU A 21 16.587 19.722 -6.196 1.00 3.23 H new ATOM 0 HB3 LEU A 21 15.722 20.431 -7.546 1.00 3.23 H new ATOM 0 HG LEU A 21 15.290 17.576 -6.640 1.00 24.14 H new ATOM 0 HD11 LEU A 21 13.286 18.403 -5.471 1.00 75.34 H new ATOM 0 HD12 LEU A 21 14.780 19.081 -4.782 1.00 75.34 H new ATOM 0 HD13 LEU A 21 13.760 20.075 -5.849 1.00 75.34 H new ATOM 0 HD21 LEU A 21 13.167 17.823 -7.867 1.00 23.44 H new ATOM 0 HD22 LEU A 21 13.638 19.473 -8.339 1.00 23.44 H new ATOM 0 HD23 LEU A 21 14.575 18.078 -8.925 1.00 23.44 H new ATOM 334 N ARG A 22 18.929 20.602 -8.062 1.00 70.21 N ATOM 335 CA ARG A 22 19.732 21.706 -8.572 1.00 45.22 C ATOM 336 C ARG A 22 21.222 21.394 -8.455 1.00 54.44 C ATOM 337 O ARG A 22 21.646 20.564 -7.652 1.00 31.22 O ATOM 338 CB ARG A 22 19.409 22.994 -7.812 1.00 60.22 C ATOM 339 CG ARG A 22 18.526 23.955 -8.591 1.00 11.13 C ATOM 340 CD ARG A 22 17.613 24.746 -7.667 1.00 3.15 C ATOM 341 NE ARG A 22 16.204 24.567 -8.004 1.00 72.31 N ATOM 342 CZ ARG A 22 15.628 25.112 -9.070 1.00 2.33 C ATOM 343 NH1 ARG A 22 16.338 25.867 -9.897 1.00 53.21 N ATOM 344 NH2 ARG A 22 14.340 24.903 -9.310 1.00 21.42 N ATOM 0 H ARG A 22 19.215 20.261 -7.144 1.00 70.21 H new ATOM 0 HA ARG A 22 19.488 21.843 -9.625 1.00 45.22 H new ATOM 0 HB2 ARG A 22 18.915 22.739 -6.875 1.00 60.22 H new ATOM 0 HB3 ARG A 22 20.341 23.497 -7.554 1.00 60.22 H new ATOM 0 HG2 ARG A 22 19.150 24.642 -9.163 1.00 11.13 H new ATOM 0 HG3 ARG A 22 17.924 23.398 -9.309 1.00 11.13 H new ATOM 0 HD2 ARG A 22 17.782 24.433 -6.636 1.00 3.15 H new ATOM 0 HD3 ARG A 22 17.868 25.804 -7.725 1.00 3.15 H new ATOM 0 HE ARG A 22 15.630 23.992 -7.387 1.00 72.31 H new ATOM 0 HH11 ARG A 22 17.328 26.030 -9.715 1.00 53.21 H new ATOM 0 HH12 ARG A 22 15.894 26.284 -10.715 1.00 53.21 H new ATOM 0 HH21 ARG A 22 13.791 24.323 -8.676 1.00 21.42 H new ATOM 0 HH22 ARG A 22 13.899 25.322 -10.129 1.00 21.42 H new ATOM 358 N PRO A 23 22.035 22.075 -9.276 1.00 42.13 N ATOM 359 CA PRO A 23 23.489 21.888 -9.284 1.00 60.12 C ATOM 360 C PRO A 23 24.150 22.429 -8.021 1.00 60.00 C ATOM 361 O PRO A 23 25.153 21.890 -7.554 1.00 14.31 O ATOM 362 CB PRO A 23 23.943 22.686 -10.509 1.00 12.00 C ATOM 363 CG PRO A 23 22.886 23.719 -10.701 1.00 24.31 C ATOM 364 CD PRO A 23 21.598 23.080 -10.260 1.00 4.43 C ATOM 0 HA PRO A 23 23.764 20.834 -9.319 1.00 60.12 H new ATOM 0 HB2 PRO A 23 24.918 23.144 -10.344 1.00 12.00 H new ATOM 0 HB3 PRO A 23 24.035 22.046 -11.387 1.00 12.00 H new ATOM 0 HG2 PRO A 23 23.101 24.611 -10.113 1.00 24.31 H new ATOM 0 HG3 PRO A 23 22.830 24.031 -11.744 1.00 24.31 H new ATOM 0 HD2 PRO A 23 20.919 23.808 -9.816 1.00 4.43 H new ATOM 0 HD3 PRO A 23 21.070 22.621 -11.096 1.00 4.43 H new ATOM 372 N GLY A 24 23.581 23.498 -7.472 1.00 31.11 N ATOM 373 CA GLY A 24 24.129 24.094 -6.267 1.00 72.43 C ATOM 374 C GLY A 24 23.185 23.986 -5.086 1.00 55.44 C ATOM 375 O GLY A 24 23.277 24.763 -4.137 1.00 35.14 O ATOM 0 H GLY A 24 22.751 23.962 -7.840 1.00 31.11 H new ATOM 0 HA2 GLY A 24 25.072 23.606 -6.020 1.00 72.43 H new ATOM 0 HA3 GLY A 24 24.353 25.144 -6.454 1.00 72.43 H new ATOM 379 N GLY A 25 22.272 23.021 -5.146 1.00 14.41 N ATOM 380 CA GLY A 25 21.318 22.834 -4.068 1.00 4.52 C ATOM 381 C GLY A 25 21.640 21.625 -3.212 1.00 44.33 C ATOM 382 O GLY A 25 22.676 20.985 -3.394 1.00 21.34 O ATOM 0 H GLY A 25 22.176 22.366 -5.922 1.00 14.41 H new ATOM 0 HA2 GLY A 25 21.303 23.726 -3.441 1.00 4.52 H new ATOM 0 HA3 GLY A 25 20.318 22.723 -4.487 1.00 4.52 H new ATOM 386 N LYS A 26 20.752 21.312 -2.275 1.00 71.03 N ATOM 387 CA LYS A 26 20.946 20.172 -1.387 1.00 74.12 C ATOM 388 C LYS A 26 19.713 19.273 -1.379 1.00 63.01 C ATOM 389 O LYS A 26 19.581 18.390 -0.531 1.00 3.41 O ATOM 390 CB LYS A 26 21.249 20.652 0.034 1.00 61.02 C ATOM 391 CG LYS A 26 22.633 21.260 0.188 1.00 35.20 C ATOM 392 CD LYS A 26 23.698 20.188 0.347 1.00 50.13 C ATOM 393 CE LYS A 26 23.876 19.791 1.804 1.00 22.21 C ATOM 394 NZ LYS A 26 24.761 20.741 2.534 1.00 62.43 N ATOM 0 H LYS A 26 19.890 21.832 -2.111 1.00 71.03 H new ATOM 0 HA LYS A 26 21.793 19.595 -1.757 1.00 74.12 H new ATOM 0 HB2 LYS A 26 20.502 21.390 0.326 1.00 61.02 H new ATOM 0 HB3 LYS A 26 21.152 19.811 0.721 1.00 61.02 H new ATOM 0 HG2 LYS A 26 22.861 21.874 -0.683 1.00 35.20 H new ATOM 0 HG3 LYS A 26 22.647 21.920 1.055 1.00 35.20 H new ATOM 0 HD2 LYS A 26 23.423 19.311 -0.239 1.00 50.13 H new ATOM 0 HD3 LYS A 26 24.645 20.553 -0.050 1.00 50.13 H new ATOM 0 HE2 LYS A 26 22.902 19.754 2.292 1.00 22.21 H new ATOM 0 HE3 LYS A 26 24.298 18.787 1.858 1.00 22.21 H new ATOM 0 HZ1 LYS A 26 24.857 20.436 3.523 1.00 62.43 H new ATOM 0 HZ2 LYS A 26 25.699 20.758 2.084 1.00 62.43 H new ATOM 0 HZ3 LYS A 26 24.346 21.694 2.505 1.00 62.43 H new ATOM 408 N LYS A 27 18.813 19.502 -2.330 1.00 25.24 N ATOM 409 CA LYS A 27 17.593 18.711 -2.434 1.00 52.34 C ATOM 410 C LYS A 27 17.653 17.774 -3.637 1.00 13.54 C ATOM 411 O LYS A 27 18.251 18.101 -4.662 1.00 54.02 O ATOM 412 CB LYS A 27 16.374 19.630 -2.551 1.00 23.15 C ATOM 413 CG LYS A 27 16.231 20.600 -1.390 1.00 73.52 C ATOM 414 CD LYS A 27 14.789 20.696 -0.919 1.00 64.20 C ATOM 415 CE LYS A 27 14.637 21.708 0.206 1.00 22.11 C ATOM 416 NZ LYS A 27 13.223 21.829 0.656 1.00 73.03 N ATOM 0 H LYS A 27 18.906 20.229 -3.039 1.00 25.24 H new ATOM 0 HA LYS A 27 17.502 18.109 -1.530 1.00 52.34 H new ATOM 0 HB2 LYS A 27 16.444 20.196 -3.480 1.00 23.15 H new ATOM 0 HB3 LYS A 27 15.474 19.019 -2.616 1.00 23.15 H new ATOM 0 HG2 LYS A 27 16.864 20.276 -0.564 1.00 73.52 H new ATOM 0 HG3 LYS A 27 16.582 21.586 -1.693 1.00 73.52 H new ATOM 0 HD2 LYS A 27 14.150 20.981 -1.755 1.00 64.20 H new ATOM 0 HD3 LYS A 27 14.450 19.718 -0.578 1.00 64.20 H new ATOM 0 HE2 LYS A 27 15.262 21.411 1.048 1.00 22.11 H new ATOM 0 HE3 LYS A 27 14.996 22.681 -0.130 1.00 22.11 H new ATOM 0 HZ1 LYS A 27 13.162 22.528 1.423 1.00 73.03 H new ATOM 0 HZ2 LYS A 27 12.630 22.137 -0.141 1.00 73.03 H new ATOM 0 HZ3 LYS A 27 12.888 20.907 1.000 1.00 73.03 H new ATOM 430 N LYS A 28 17.028 16.609 -3.504 1.00 45.05 N ATOM 431 CA LYS A 28 17.008 15.625 -4.580 1.00 51.24 C ATOM 432 C LYS A 28 15.586 15.401 -5.085 1.00 62.42 C ATOM 433 O LYS A 28 14.620 15.857 -4.473 1.00 24.33 O ATOM 434 CB LYS A 28 17.605 14.301 -4.100 1.00 30.34 C ATOM 435 CG LYS A 28 19.118 14.327 -3.969 1.00 11.54 C ATOM 436 CD LYS A 28 19.570 13.801 -2.617 1.00 0.33 C ATOM 437 CE LYS A 28 20.117 14.917 -1.739 1.00 60.40 C ATOM 438 NZ LYS A 28 19.552 14.867 -0.362 1.00 71.22 N ATOM 0 H LYS A 28 16.529 16.323 -2.662 1.00 45.05 H new ATOM 0 HA LYS A 28 17.611 16.010 -5.402 1.00 51.24 H new ATOM 0 HB2 LYS A 28 17.170 14.045 -3.134 1.00 30.34 H new ATOM 0 HB3 LYS A 28 17.323 13.511 -4.796 1.00 30.34 H new ATOM 0 HG2 LYS A 28 19.563 13.726 -4.762 1.00 11.54 H new ATOM 0 HG3 LYS A 28 19.478 15.347 -4.102 1.00 11.54 H new ATOM 0 HD2 LYS A 28 18.732 13.319 -2.114 1.00 0.33 H new ATOM 0 HD3 LYS A 28 20.337 13.040 -2.759 1.00 0.33 H new ATOM 0 HE2 LYS A 28 21.203 14.840 -1.689 1.00 60.40 H new ATOM 0 HE3 LYS A 28 19.886 15.881 -2.192 1.00 60.40 H new ATOM 0 HZ1 LYS A 28 19.949 15.643 0.205 1.00 71.22 H new ATOM 0 HZ2 LYS A 28 18.518 14.966 -0.407 1.00 71.22 H new ATOM 0 HZ3 LYS A 28 19.794 13.957 0.080 1.00 71.22 H new ATOM 452 N TYR A 29 15.465 14.695 -6.204 1.00 22.52 N ATOM 453 CA TYR A 29 14.161 14.410 -6.791 1.00 2.30 C ATOM 454 C TYR A 29 13.383 13.417 -5.934 1.00 15.12 C ATOM 455 O TYR A 29 13.967 12.555 -5.277 1.00 11.42 O ATOM 456 CB TYR A 29 14.326 13.859 -8.208 1.00 71.41 C ATOM 457 CG TYR A 29 14.533 14.930 -9.255 1.00 31.13 C ATOM 458 CD1 TYR A 29 15.809 15.372 -9.582 1.00 14.32 C ATOM 459 CD2 TYR A 29 13.452 15.499 -9.917 1.00 42.04 C ATOM 460 CE1 TYR A 29 16.002 16.351 -10.537 1.00 1.51 C ATOM 461 CE2 TYR A 29 13.636 16.478 -10.875 1.00 23.30 C ATOM 462 CZ TYR A 29 14.913 16.901 -11.181 1.00 20.22 C ATOM 463 OH TYR A 29 15.102 17.875 -12.134 1.00 13.42 O ATOM 0 H TYR A 29 16.254 14.310 -6.723 1.00 22.52 H new ATOM 0 HA TYR A 29 13.599 15.343 -6.834 1.00 2.30 H new ATOM 0 HB2 TYR A 29 15.175 13.176 -8.226 1.00 71.41 H new ATOM 0 HB3 TYR A 29 13.442 13.276 -8.467 1.00 71.41 H new ATOM 0 HD1 TYR A 29 16.664 14.943 -9.081 1.00 14.32 H new ATOM 0 HD2 TYR A 29 12.451 15.171 -9.679 1.00 42.04 H new ATOM 0 HE1 TYR A 29 17.001 16.684 -10.778 1.00 1.51 H new ATOM 0 HE2 TYR A 29 12.785 16.909 -11.381 1.00 23.30 H new ATOM 0 HH TYR A 29 16.038 18.166 -12.124 1.00 13.42 H new ATOM 473 N ARG A 30 12.060 13.544 -5.946 1.00 53.55 N ATOM 474 CA ARG A 30 11.199 12.659 -5.170 1.00 45.45 C ATOM 475 C ARG A 30 9.985 12.227 -5.988 1.00 4.44 C ATOM 476 O ARG A 30 9.653 12.845 -7.000 1.00 44.23 O ATOM 477 CB ARG A 30 10.742 13.354 -3.887 1.00 4.35 C ATOM 478 CG ARG A 30 11.184 12.643 -2.618 1.00 64.43 C ATOM 479 CD ARG A 30 10.083 12.638 -1.570 1.00 22.34 C ATOM 480 NE ARG A 30 9.445 11.329 -1.452 1.00 50.43 N ATOM 481 CZ ARG A 30 8.317 11.119 -0.783 1.00 54.55 C ATOM 482 NH1 ARG A 30 7.705 12.127 -0.176 1.00 21.23 N ATOM 483 NH2 ARG A 30 7.797 9.900 -0.722 1.00 63.01 N ATOM 0 H ARG A 30 11.561 14.252 -6.485 1.00 53.55 H new ATOM 0 HA ARG A 30 11.774 11.771 -4.909 1.00 45.45 H new ATOM 0 HB2 ARG A 30 11.131 14.372 -3.877 1.00 4.35 H new ATOM 0 HB3 ARG A 30 9.655 13.428 -3.892 1.00 4.35 H new ATOM 0 HG2 ARG A 30 11.468 11.617 -2.854 1.00 64.43 H new ATOM 0 HG3 ARG A 30 12.070 13.134 -2.214 1.00 64.43 H new ATOM 0 HD2 ARG A 30 10.500 12.926 -0.605 1.00 22.34 H new ATOM 0 HD3 ARG A 30 9.333 13.385 -1.829 1.00 22.34 H new ATOM 0 HE ARG A 30 9.890 10.533 -1.908 1.00 50.43 H new ATOM 0 HH11 ARG A 30 8.100 13.066 -0.222 1.00 21.23 H new ATOM 0 HH12 ARG A 30 6.839 11.963 0.337 1.00 21.23 H new ATOM 0 HH21 ARG A 30 8.264 9.123 -1.189 1.00 63.01 H new ATOM 0 HH22 ARG A 30 6.931 9.740 -0.208 1.00 63.01 H new ATOM 497 N LEU A 31 9.327 11.163 -5.542 1.00 10.33 N ATOM 498 CA LEU A 31 8.149 10.648 -6.232 1.00 25.35 C ATOM 499 C LEU A 31 7.200 11.780 -6.610 1.00 4.44 C ATOM 500 O LEU A 31 6.663 11.811 -7.717 1.00 14.12 O ATOM 501 CB LEU A 31 7.422 9.631 -5.350 1.00 64.42 C ATOM 502 CG LEU A 31 7.138 8.271 -5.989 1.00 72.12 C ATOM 503 CD1 LEU A 31 8.398 7.420 -6.018 1.00 1.24 C ATOM 504 CD2 LEU A 31 6.024 7.553 -5.241 1.00 61.32 C ATOM 0 H LEU A 31 9.589 10.640 -4.706 1.00 10.33 H new ATOM 0 HA LEU A 31 8.480 10.156 -7.147 1.00 25.35 H new ATOM 0 HB2 LEU A 31 8.016 9.470 -4.450 1.00 64.42 H new ATOM 0 HB3 LEU A 31 6.474 10.066 -5.033 1.00 64.42 H new ATOM 0 HG LEU A 31 6.812 8.435 -7.016 1.00 72.12 H new ATOM 0 HD11 LEU A 31 8.176 6.456 -6.476 1.00 1.24 H new ATOM 0 HD12 LEU A 31 9.168 7.929 -6.598 1.00 1.24 H new ATOM 0 HD13 LEU A 31 8.755 7.264 -5.000 1.00 1.24 H new ATOM 0 HD21 LEU A 31 5.835 6.587 -5.709 1.00 61.32 H new ATOM 0 HD22 LEU A 31 6.321 7.401 -4.203 1.00 61.32 H new ATOM 0 HD23 LEU A 31 5.116 8.156 -5.274 1.00 61.32 H new ATOM 516 N LYS A 32 7.000 12.712 -5.683 1.00 62.43 N ATOM 517 CA LYS A 32 6.119 13.849 -5.919 1.00 41.22 C ATOM 518 C LYS A 32 6.430 14.509 -7.259 1.00 14.43 C ATOM 519 O LYS A 32 5.524 14.826 -8.031 1.00 1.12 O ATOM 520 CB LYS A 32 6.260 14.872 -4.790 1.00 14.23 C ATOM 521 CG LYS A 32 5.580 14.450 -3.499 1.00 14.13 C ATOM 522 CD LYS A 32 4.078 14.677 -3.559 1.00 44.41 C ATOM 523 CE LYS A 32 3.334 13.735 -2.626 1.00 0.14 C ATOM 524 NZ LYS A 32 2.512 12.746 -3.376 1.00 22.40 N ATOM 0 H LYS A 32 7.437 12.701 -4.761 1.00 62.43 H new ATOM 0 HA LYS A 32 5.093 13.483 -5.944 1.00 41.22 H new ATOM 0 HB2 LYS A 32 7.319 15.041 -4.595 1.00 14.23 H new ATOM 0 HB3 LYS A 32 5.840 15.823 -5.118 1.00 14.23 H new ATOM 0 HG2 LYS A 32 5.782 13.396 -3.308 1.00 14.13 H new ATOM 0 HG3 LYS A 32 6.001 15.012 -2.665 1.00 14.13 H new ATOM 0 HD2 LYS A 32 3.854 15.709 -3.290 1.00 44.41 H new ATOM 0 HD3 LYS A 32 3.727 14.531 -4.581 1.00 44.41 H new ATOM 0 HE2 LYS A 32 4.050 13.208 -1.995 1.00 0.14 H new ATOM 0 HE3 LYS A 32 2.691 14.314 -1.963 1.00 0.14 H new ATOM 0 HZ1 LYS A 32 2.021 12.122 -2.704 1.00 22.40 H new ATOM 0 HZ2 LYS A 32 1.812 13.247 -3.959 1.00 22.40 H new ATOM 0 HZ3 LYS A 32 3.129 12.176 -3.990 1.00 22.40 H new ATOM 538 N HIS A 33 7.715 14.713 -7.529 1.00 61.02 N ATOM 539 CA HIS A 33 8.146 15.334 -8.777 1.00 74.14 C ATOM 540 C HIS A 33 7.781 14.458 -9.973 1.00 20.24 C ATOM 541 O HIS A 33 7.518 15.028 -11.032 1.00 21.11 O ATOM 542 CB HIS A 33 9.654 15.583 -8.755 1.00 22.33 C ATOM 543 CG HIS A 33 10.091 16.516 -7.667 1.00 55.34 C ATOM 544 ND1 HIS A 33 10.850 16.114 -6.589 1.00 61.44 N ATOM 545 CD2 HIS A 33 9.870 17.841 -7.496 1.00 64.34 C ATOM 546 CE1 HIS A 33 11.077 17.150 -5.802 1.00 63.03 C ATOM 547 NE2 HIS A 33 10.494 18.211 -6.331 1.00 31.31 N ATOM 0 H HIS A 33 8.477 14.457 -6.900 1.00 61.02 H new ATOM 0 HA HIS A 33 7.630 16.289 -8.876 1.00 74.14 H new ATOM 0 HB2 HIS A 33 10.170 14.630 -8.634 1.00 22.33 H new ATOM 0 HB3 HIS A 33 9.961 15.992 -9.718 1.00 22.33 H new ATOM 0 HD2 HIS A 33 9.307 18.487 -8.154 1.00 64.34 H new ATOM 0 HE1 HIS A 33 11.643 17.133 -4.882 1.00 63.03 H new ATOM 0 HE2 HIS A 33 10.506 19.152 -5.938 1.00 31.31 H new ATOM 555 N ILE A 34 7.759 13.136 -9.837 1.00 2.32 N ATOM 556 CA ILE A 34 7.416 12.260 -10.950 1.00 10.01 C ATOM 557 C ILE A 34 5.940 12.385 -11.313 1.00 22.20 C ATOM 558 O ILE A 34 5.571 12.329 -12.486 1.00 45.32 O ATOM 559 CB ILE A 34 7.730 10.788 -10.625 1.00 65.21 C ATOM 560 CG1 ILE A 34 9.177 10.646 -10.147 1.00 61.02 C ATOM 561 CG2 ILE A 34 7.481 9.912 -11.844 1.00 21.44 C ATOM 562 CD1 ILE A 34 9.559 9.226 -9.791 1.00 44.43 C ATOM 0 H ILE A 34 7.975 12.649 -8.967 1.00 2.32 H new ATOM 0 HA ILE A 34 8.024 12.574 -11.798 1.00 10.01 H new ATOM 0 HB ILE A 34 7.068 10.459 -9.824 1.00 65.21 H new ATOM 0 HG12 ILE A 34 9.846 11.009 -10.927 1.00 61.02 H new ATOM 0 HG13 ILE A 34 9.328 11.284 -9.276 1.00 61.02 H new ATOM 0 HG21 ILE A 34 7.707 8.874 -11.599 1.00 21.44 H new ATOM 0 HG22 ILE A 34 6.436 9.994 -12.144 1.00 21.44 H new ATOM 0 HG23 ILE A 34 8.121 10.239 -12.664 1.00 21.44 H new ATOM 0 HD11 ILE A 34 10.597 9.200 -9.461 1.00 44.43 H new ATOM 0 HD12 ILE A 34 8.914 8.866 -8.989 1.00 44.43 H new ATOM 0 HD13 ILE A 34 9.441 8.587 -10.666 1.00 44.43 H new ATOM 574 N VAL A 35 5.099 12.556 -10.298 1.00 20.51 N ATOM 575 CA VAL A 35 3.663 12.692 -10.510 1.00 31.53 C ATOM 576 C VAL A 35 3.344 13.938 -11.327 1.00 54.12 C ATOM 577 O VAL A 35 2.726 13.855 -12.389 1.00 13.14 O ATOM 578 CB VAL A 35 2.902 12.759 -9.172 1.00 43.41 C ATOM 579 CG1 VAL A 35 1.408 12.906 -9.414 1.00 52.03 C ATOM 580 CG2 VAL A 35 3.196 11.527 -8.330 1.00 11.34 C ATOM 0 H VAL A 35 5.387 12.604 -9.321 1.00 20.51 H new ATOM 0 HA VAL A 35 3.339 11.808 -11.060 1.00 31.53 H new ATOM 0 HB VAL A 35 3.244 13.636 -8.623 1.00 43.41 H new ATOM 0 HG11 VAL A 35 0.887 12.952 -8.458 1.00 52.03 H new ATOM 0 HG12 VAL A 35 1.219 13.822 -9.974 1.00 52.03 H new ATOM 0 HG13 VAL A 35 1.046 12.050 -9.984 1.00 52.03 H new ATOM 0 HG21 VAL A 35 2.650 11.591 -7.389 1.00 11.34 H new ATOM 0 HG22 VAL A 35 2.883 10.634 -8.871 1.00 11.34 H new ATOM 0 HG23 VAL A 35 4.265 11.472 -8.126 1.00 11.34 H new ATOM 590 N TRP A 36 3.769 15.092 -10.826 1.00 41.11 N ATOM 591 CA TRP A 36 3.529 16.357 -11.511 1.00 12.32 C ATOM 592 C TRP A 36 3.843 16.240 -12.998 1.00 64.20 C ATOM 593 O TRP A 36 3.137 16.797 -13.837 1.00 53.31 O ATOM 594 CB TRP A 36 4.373 17.468 -10.884 1.00 43.24 C ATOM 595 CG TRP A 36 4.133 18.815 -11.498 1.00 32.55 C ATOM 596 CD1 TRP A 36 3.172 19.717 -11.142 1.00 10.44 C ATOM 597 CD2 TRP A 36 4.865 19.409 -12.575 1.00 71.51 C ATOM 598 NE1 TRP A 36 3.263 20.837 -11.933 1.00 74.00 N ATOM 599 CE2 TRP A 36 4.294 20.673 -12.820 1.00 33.33 C ATOM 600 CE3 TRP A 36 5.948 18.997 -13.356 1.00 24.35 C ATOM 601 CZ2 TRP A 36 4.770 21.525 -13.812 1.00 60.14 C ATOM 602 CZ3 TRP A 36 6.420 19.844 -14.341 1.00 32.45 C ATOM 603 CH2 TRP A 36 5.832 21.096 -14.562 1.00 12.14 C ATOM 0 H TRP A 36 4.281 15.178 -9.948 1.00 41.11 H new ATOM 0 HA TRP A 36 2.474 16.606 -11.401 1.00 12.32 H new ATOM 0 HB2 TRP A 36 4.158 17.520 -9.817 1.00 43.24 H new ATOM 0 HB3 TRP A 36 5.428 17.214 -10.984 1.00 43.24 H new ATOM 0 HD1 TRP A 36 2.447 19.572 -10.355 1.00 10.44 H new ATOM 0 HE1 TRP A 36 2.660 21.658 -11.870 1.00 74.00 H new ATOM 0 HE3 TRP A 36 6.408 18.034 -13.193 1.00 24.35 H new ATOM 0 HZ2 TRP A 36 4.318 22.490 -13.984 1.00 60.14 H new ATOM 0 HZ3 TRP A 36 7.256 19.535 -14.951 1.00 32.45 H new ATOM 0 HH2 TRP A 36 6.224 21.735 -15.339 1.00 12.14 H new ATOM 614 N ALA A 37 4.908 15.511 -13.318 1.00 12.04 N ATOM 615 CA ALA A 37 5.314 15.319 -14.704 1.00 51.12 C ATOM 616 C ALA A 37 4.320 14.434 -15.450 1.00 4.43 C ATOM 617 O ALA A 37 3.784 14.824 -16.486 1.00 41.34 O ATOM 618 CB ALA A 37 6.710 14.717 -14.767 1.00 11.21 C ATOM 0 H ALA A 37 5.505 15.044 -12.635 1.00 12.04 H new ATOM 0 HA ALA A 37 5.329 16.294 -15.190 1.00 51.12 H new ATOM 0 HB1 ALA A 37 7.000 14.579 -15.809 1.00 11.21 H new ATOM 0 HB2 ALA A 37 7.418 15.387 -14.279 1.00 11.21 H new ATOM 0 HB3 ALA A 37 6.714 13.753 -14.259 1.00 11.21 H new ATOM 624 N ALA A 38 4.080 13.242 -14.915 1.00 64.53 N ATOM 625 CA ALA A 38 3.150 12.302 -15.530 1.00 4.33 C ATOM 626 C ALA A 38 1.793 12.953 -15.771 1.00 74.13 C ATOM 627 O ALA A 38 1.135 12.685 -16.776 1.00 23.41 O ATOM 628 CB ALA A 38 2.997 11.065 -14.658 1.00 62.30 C ATOM 0 H ALA A 38 4.516 12.904 -14.057 1.00 64.53 H new ATOM 0 HA ALA A 38 3.558 12.004 -16.496 1.00 4.33 H new ATOM 0 HB1 ALA A 38 2.300 10.372 -15.129 1.00 62.30 H new ATOM 0 HB2 ALA A 38 3.966 10.581 -14.540 1.00 62.30 H new ATOM 0 HB3 ALA A 38 2.615 11.355 -13.679 1.00 62.30 H new ATOM 634 N ASN A 39 1.378 13.809 -14.843 1.00 22.02 N ATOM 635 CA ASN A 39 0.097 14.497 -14.955 1.00 2.01 C ATOM 636 C ASN A 39 0.130 15.527 -16.080 1.00 14.33 C ATOM 637 O ASN A 39 -0.716 15.513 -16.975 1.00 23.22 O ATOM 638 CB ASN A 39 -0.256 15.180 -13.632 1.00 44.52 C ATOM 639 CG ASN A 39 -1.684 15.691 -13.608 1.00 24.41 C ATOM 640 OD1 ASN A 39 -2.494 15.343 -14.467 1.00 65.51 O ATOM 641 ND2 ASN A 39 -1.998 16.521 -12.620 1.00 74.52 N ATOM 0 H ASN A 39 1.910 14.043 -14.005 1.00 22.02 H new ATOM 0 HA ASN A 39 -0.667 13.755 -15.188 1.00 2.01 H new ATOM 0 HB2 ASN A 39 -0.111 14.476 -12.813 1.00 44.52 H new ATOM 0 HB3 ASN A 39 0.428 16.012 -13.462 1.00 44.52 H new ATOM 0 HD21 ASN A 39 -2.944 16.897 -12.551 1.00 74.52 H new ATOM 0 HD22 ASN A 39 -1.294 16.782 -11.930 1.00 74.52 H new ATOM 648 N LYS A 40 1.112 16.421 -16.028 1.00 34.20 N ATOM 649 CA LYS A 40 1.257 17.458 -17.042 1.00 61.04 C ATOM 650 C LYS A 40 1.159 16.865 -18.444 1.00 55.45 C ATOM 651 O LYS A 40 0.650 17.505 -19.366 1.00 12.52 O ATOM 652 CB LYS A 40 2.596 18.179 -16.875 1.00 44.42 C ATOM 653 CG LYS A 40 2.527 19.384 -15.953 1.00 24.04 C ATOM 654 CD LYS A 40 1.731 20.519 -16.575 1.00 65.45 C ATOM 655 CE LYS A 40 1.191 21.468 -15.517 1.00 24.54 C ATOM 656 NZ LYS A 40 2.152 22.564 -15.213 1.00 11.23 N ATOM 0 H LYS A 40 1.819 16.448 -15.294 1.00 34.20 H new ATOM 0 HA LYS A 40 0.446 18.175 -16.912 1.00 61.04 H new ATOM 0 HB2 LYS A 40 3.332 17.476 -16.485 1.00 44.42 H new ATOM 0 HB3 LYS A 40 2.950 18.501 -17.854 1.00 44.42 H new ATOM 0 HG2 LYS A 40 2.070 19.094 -15.007 1.00 24.04 H new ATOM 0 HG3 LYS A 40 3.536 19.728 -15.727 1.00 24.04 H new ATOM 0 HD2 LYS A 40 2.364 21.070 -17.270 1.00 65.45 H new ATOM 0 HD3 LYS A 40 0.903 20.109 -17.154 1.00 65.45 H new ATOM 0 HE2 LYS A 40 0.249 21.896 -15.860 1.00 24.54 H new ATOM 0 HE3 LYS A 40 0.975 20.911 -14.605 1.00 24.54 H new ATOM 0 HZ1 LYS A 40 1.810 23.109 -14.396 1.00 11.23 H new ATOM 0 HZ2 LYS A 40 3.084 22.158 -14.992 1.00 11.23 H new ATOM 0 HZ3 LYS A 40 2.235 23.192 -16.038 1.00 11.23 H new ATOM 670 N LEU A 41 1.646 15.640 -18.599 1.00 64.42 N ATOM 671 CA LEU A 41 1.612 14.960 -19.889 1.00 73.54 C ATOM 672 C LEU A 41 0.175 14.674 -20.316 1.00 24.21 C ATOM 673 O LEU A 41 -0.322 15.252 -21.282 1.00 55.11 O ATOM 674 CB LEU A 41 2.405 13.653 -19.821 1.00 51.31 C ATOM 675 CG LEU A 41 3.927 13.794 -19.785 1.00 61.55 C ATOM 676 CD1 LEU A 41 4.577 12.466 -19.428 1.00 22.02 C ATOM 677 CD2 LEU A 41 4.447 14.301 -21.122 1.00 44.23 C ATOM 0 H LEU A 41 2.070 15.096 -17.847 1.00 64.42 H new ATOM 0 HA LEU A 41 2.069 15.617 -20.630 1.00 73.54 H new ATOM 0 HB2 LEU A 41 2.090 13.105 -18.933 1.00 51.31 H new ATOM 0 HB3 LEU A 41 2.137 13.043 -20.684 1.00 51.31 H new ATOM 0 HG LEU A 41 4.188 14.522 -19.016 1.00 61.55 H new ATOM 0 HD11 LEU A 41 5.660 12.585 -19.407 1.00 22.02 H new ATOM 0 HD12 LEU A 41 4.228 12.142 -18.447 1.00 22.02 H new ATOM 0 HD13 LEU A 41 4.309 11.718 -20.174 1.00 22.02 H new ATOM 0 HD21 LEU A 41 5.532 14.395 -21.078 1.00 44.23 H new ATOM 0 HD22 LEU A 41 4.175 13.597 -21.909 1.00 44.23 H new ATOM 0 HD23 LEU A 41 4.007 15.274 -21.338 1.00 44.23 H new ATOM 689 N ASP A 42 -0.486 13.780 -19.588 1.00 43.52 N ATOM 690 CA ASP A 42 -1.866 13.420 -19.889 1.00 15.31 C ATOM 691 C ASP A 42 -2.698 14.662 -20.194 1.00 1.42 C ATOM 692 O ASP A 42 -3.476 14.682 -21.148 1.00 31.34 O ATOM 693 CB ASP A 42 -2.483 12.654 -18.718 1.00 23.25 C ATOM 694 CG ASP A 42 -3.977 12.456 -18.877 1.00 53.22 C ATOM 695 OD1 ASP A 42 -4.734 13.410 -18.600 1.00 73.34 O ATOM 696 OD2 ASP A 42 -4.390 11.348 -19.278 1.00 70.51 O ATOM 0 H ASP A 42 -0.088 13.292 -18.786 1.00 43.52 H new ATOM 0 HA ASP A 42 -1.864 12.780 -20.771 1.00 15.31 H new ATOM 0 HB2 ASP A 42 -1.998 11.682 -18.628 1.00 23.25 H new ATOM 0 HB3 ASP A 42 -2.288 13.194 -17.792 1.00 23.25 H new ATOM 701 N ARG A 43 -2.528 15.697 -19.377 1.00 34.00 N ATOM 702 CA ARG A 43 -3.265 16.942 -19.558 1.00 41.11 C ATOM 703 C ARG A 43 -2.928 17.582 -20.902 1.00 15.23 C ATOM 704 O ARG A 43 -3.808 17.797 -21.736 1.00 64.15 O ATOM 705 CB ARG A 43 -2.947 17.917 -18.423 1.00 13.12 C ATOM 706 CG ARG A 43 -4.182 18.524 -17.778 1.00 15.20 C ATOM 707 CD ARG A 43 -4.085 20.040 -17.705 1.00 24.05 C ATOM 708 NE ARG A 43 -4.921 20.592 -16.642 1.00 23.42 N ATOM 709 CZ ARG A 43 -5.300 21.863 -16.591 1.00 14.52 C ATOM 710 NH1 ARG A 43 -4.921 22.711 -17.538 1.00 30.54 N ATOM 711 NH2 ARG A 43 -6.062 22.290 -15.591 1.00 42.34 N ATOM 0 H ARG A 43 -1.887 15.698 -18.584 1.00 34.00 H new ATOM 0 HA ARG A 43 -4.330 16.711 -19.542 1.00 41.11 H new ATOM 0 HB2 ARG A 43 -2.367 17.397 -17.660 1.00 13.12 H new ATOM 0 HB3 ARG A 43 -2.318 18.719 -18.810 1.00 13.12 H new ATOM 0 HG2 ARG A 43 -5.067 18.242 -18.348 1.00 15.20 H new ATOM 0 HG3 ARG A 43 -4.306 18.118 -16.774 1.00 15.20 H new ATOM 0 HD2 ARG A 43 -3.048 20.329 -17.537 1.00 24.05 H new ATOM 0 HD3 ARG A 43 -4.385 20.469 -18.661 1.00 24.05 H new ATOM 0 HE ARG A 43 -5.230 19.966 -15.898 1.00 23.42 H new ATOM 0 HH11 ARG A 43 -4.336 22.387 -18.309 1.00 30.54 H new ATOM 0 HH12 ARG A 43 -5.214 23.687 -17.496 1.00 30.54 H new ATOM 0 HH21 ARG A 43 -6.357 21.641 -14.861 1.00 42.34 H new ATOM 0 HH22 ARG A 43 -6.353 23.267 -15.553 1.00 42.34 H new ATOM 725 N PHE A 44 -1.650 17.885 -21.103 1.00 54.34 N ATOM 726 CA PHE A 44 -1.198 18.502 -22.345 1.00 3.43 C ATOM 727 C PHE A 44 -1.656 17.692 -23.554 1.00 21.14 C ATOM 728 O PHE A 44 -2.098 18.249 -24.557 1.00 51.42 O ATOM 729 CB PHE A 44 0.327 18.629 -22.350 1.00 21.03 C ATOM 730 CG PHE A 44 0.825 19.899 -21.722 1.00 2.22 C ATOM 731 CD1 PHE A 44 0.345 21.129 -22.141 1.00 50.51 C ATOM 732 CD2 PHE A 44 1.773 19.863 -20.712 1.00 2.20 C ATOM 733 CE1 PHE A 44 0.802 22.300 -21.565 1.00 63.25 C ATOM 734 CE2 PHE A 44 2.234 21.030 -20.132 1.00 50.32 C ATOM 735 CZ PHE A 44 1.747 22.250 -20.559 1.00 50.10 C ATOM 0 H PHE A 44 -0.909 17.714 -20.423 1.00 54.34 H new ATOM 0 HA PHE A 44 -1.639 19.497 -22.409 1.00 3.43 H new ATOM 0 HB2 PHE A 44 0.756 17.779 -21.820 1.00 21.03 H new ATOM 0 HB3 PHE A 44 0.685 18.577 -23.378 1.00 21.03 H new ATOM 0 HD1 PHE A 44 -0.395 21.174 -22.927 1.00 50.51 H new ATOM 0 HD2 PHE A 44 2.156 18.912 -20.374 1.00 2.20 H new ATOM 0 HE1 PHE A 44 0.420 23.253 -21.901 1.00 63.25 H new ATOM 0 HE2 PHE A 44 2.974 20.988 -19.346 1.00 50.32 H new ATOM 0 HZ PHE A 44 2.105 23.163 -20.107 1.00 50.10 H new ATOM 745 N GLY A 45 -1.546 16.371 -23.449 1.00 62.24 N ATOM 746 CA GLY A 45 -1.952 15.504 -24.540 1.00 44.34 C ATOM 747 C GLY A 45 -1.056 14.289 -24.680 1.00 10.33 C ATOM 748 O GLY A 45 -1.367 13.362 -25.429 1.00 2.04 O ATOM 0 H GLY A 45 -1.183 15.886 -22.628 1.00 62.24 H new ATOM 0 HA2 GLY A 45 -2.979 15.177 -24.377 1.00 44.34 H new ATOM 0 HA3 GLY A 45 -1.941 16.069 -25.472 1.00 44.34 H new ATOM 752 N LEU A 46 0.060 14.293 -23.959 1.00 13.13 N ATOM 753 CA LEU A 46 1.005 13.183 -24.006 1.00 41.11 C ATOM 754 C LEU A 46 0.656 12.125 -22.964 1.00 53.32 C ATOM 755 O LEU A 46 0.021 12.422 -21.953 1.00 11.23 O ATOM 756 CB LEU A 46 2.430 13.691 -23.776 1.00 73.44 C ATOM 757 CG LEU A 46 3.141 14.270 -25.000 1.00 24.43 C ATOM 758 CD1 LEU A 46 3.741 15.629 -24.675 1.00 13.11 C ATOM 759 CD2 LEU A 46 4.218 13.314 -25.492 1.00 63.12 C ATOM 0 H LEU A 46 0.332 15.053 -23.335 1.00 13.13 H new ATOM 0 HA LEU A 46 0.943 12.727 -24.994 1.00 41.11 H new ATOM 0 HB2 LEU A 46 2.401 14.457 -23.001 1.00 73.44 H new ATOM 0 HB3 LEU A 46 3.030 12.868 -23.388 1.00 73.44 H new ATOM 0 HG LEU A 46 2.407 14.400 -25.795 1.00 24.43 H new ATOM 0 HD11 LEU A 46 4.243 16.026 -25.558 1.00 13.11 H new ATOM 0 HD12 LEU A 46 2.949 16.313 -24.370 1.00 13.11 H new ATOM 0 HD13 LEU A 46 4.462 15.524 -23.864 1.00 13.11 H new ATOM 0 HD21 LEU A 46 4.714 13.742 -26.363 1.00 63.12 H new ATOM 0 HD22 LEU A 46 4.950 13.152 -24.701 1.00 63.12 H new ATOM 0 HD23 LEU A 46 3.763 12.362 -25.765 1.00 63.12 H new ATOM 771 N ALA A 47 1.077 10.890 -23.218 1.00 14.50 N ATOM 772 CA ALA A 47 0.812 9.790 -22.300 1.00 70.51 C ATOM 773 C ALA A 47 1.662 9.909 -21.040 1.00 10.23 C ATOM 774 O ALA A 47 2.499 10.804 -20.928 1.00 15.53 O ATOM 775 CB ALA A 47 1.068 8.456 -22.987 1.00 42.43 C ATOM 0 H ALA A 47 1.603 10.627 -24.052 1.00 14.50 H new ATOM 0 HA ALA A 47 -0.236 9.840 -22.006 1.00 70.51 H new ATOM 0 HB1 ALA A 47 0.866 7.643 -22.290 1.00 42.43 H new ATOM 0 HB2 ALA A 47 0.414 8.362 -23.854 1.00 42.43 H new ATOM 0 HB3 ALA A 47 2.108 8.407 -23.310 1.00 42.43 H new ATOM 826 N LEU A 51 6.893 7.212 -19.663 1.00 62.41 N ATOM 827 CA LEU A 51 8.004 7.596 -18.799 1.00 32.33 C ATOM 828 C LEU A 51 8.734 6.365 -18.271 1.00 31.22 C ATOM 829 O LEU A 51 9.788 6.478 -17.645 1.00 75.34 O ATOM 830 CB LEU A 51 7.497 8.442 -17.630 1.00 1.50 C ATOM 831 CG LEU A 51 7.461 9.953 -17.862 1.00 11.41 C ATOM 832 CD1 LEU A 51 6.429 10.608 -16.956 1.00 62.05 C ATOM 833 CD2 LEU A 51 8.837 10.561 -17.632 1.00 51.33 C ATOM 0 HA LEU A 51 8.705 8.186 -19.390 1.00 32.33 H new ATOM 0 HB2 LEU A 51 6.490 8.109 -17.376 1.00 1.50 H new ATOM 0 HB3 LEU A 51 8.127 8.242 -16.763 1.00 1.50 H new ATOM 0 HG LEU A 51 7.173 10.135 -18.897 1.00 11.41 H new ATOM 0 HD11 LEU A 51 6.418 11.683 -17.135 1.00 62.05 H new ATOM 0 HD12 LEU A 51 5.443 10.194 -17.169 1.00 62.05 H new ATOM 0 HD13 LEU A 51 6.686 10.417 -15.914 1.00 62.05 H new ATOM 0 HD21 LEU A 51 8.792 11.637 -17.802 1.00 51.33 H new ATOM 0 HD22 LEU A 51 9.153 10.368 -16.607 1.00 51.33 H new ATOM 0 HD23 LEU A 51 9.552 10.114 -18.323 1.00 51.33 H new ATOM 845 N GLU A 52 8.167 5.191 -18.529 1.00 72.52 N ATOM 846 CA GLU A 52 8.765 3.939 -18.081 1.00 24.23 C ATOM 847 C GLU A 52 9.904 3.518 -19.005 1.00 42.34 C ATOM 848 O GLU A 52 10.996 3.179 -18.549 1.00 11.34 O ATOM 849 CB GLU A 52 7.708 2.835 -18.021 1.00 71.53 C ATOM 850 CG GLU A 52 6.505 3.189 -17.164 1.00 12.42 C ATOM 851 CD GLU A 52 5.770 1.965 -16.654 1.00 72.25 C ATOM 852 OE1 GLU A 52 6.307 0.847 -16.798 1.00 5.12 O ATOM 853 OE2 GLU A 52 4.656 2.125 -16.112 1.00 42.11 O ATOM 0 H GLU A 52 7.295 5.081 -19.046 1.00 72.52 H new ATOM 0 HA GLU A 52 9.171 4.098 -17.082 1.00 24.23 H new ATOM 0 HB2 GLU A 52 7.370 2.613 -19.033 1.00 71.53 H new ATOM 0 HB3 GLU A 52 8.166 1.926 -17.631 1.00 71.53 H new ATOM 0 HG2 GLU A 52 6.832 3.791 -16.316 1.00 12.42 H new ATOM 0 HG3 GLU A 52 5.818 3.804 -17.745 1.00 12.42 H new ATOM 860 N SER A 53 9.641 3.543 -20.308 1.00 33.40 N ATOM 861 CA SER A 53 10.641 3.160 -21.297 1.00 61.15 C ATOM 862 C SER A 53 11.436 4.376 -21.764 1.00 61.54 C ATOM 863 O SER A 53 10.886 5.464 -21.937 1.00 20.55 O ATOM 864 CB SER A 53 9.972 2.483 -22.495 1.00 54.43 C ATOM 865 OG SER A 53 9.896 3.365 -23.602 1.00 60.23 O ATOM 0 H SER A 53 8.744 3.825 -20.703 1.00 33.40 H new ATOM 0 HA SER A 53 11.328 2.456 -20.828 1.00 61.15 H new ATOM 0 HB2 SER A 53 10.534 1.592 -22.774 1.00 54.43 H new ATOM 0 HB3 SER A 53 8.970 2.154 -22.218 1.00 54.43 H new ATOM 0 HG SER A 53 9.466 2.908 -24.355 1.00 60.23 H new ATOM 871 N LYS A 54 12.735 4.183 -21.968 1.00 32.42 N ATOM 872 CA LYS A 54 13.608 5.261 -22.416 1.00 61.21 C ATOM 873 C LYS A 54 13.219 5.730 -23.814 1.00 41.42 C ATOM 874 O LYS A 54 13.325 6.914 -24.132 1.00 41.25 O ATOM 875 CB LYS A 54 15.067 4.799 -22.409 1.00 42.40 C ATOM 876 CG LYS A 54 15.386 3.774 -23.483 1.00 42.35 C ATOM 877 CD LYS A 54 16.817 3.275 -23.370 1.00 73.34 C ATOM 878 CE LYS A 54 17.621 3.600 -24.620 1.00 30.52 C ATOM 879 NZ LYS A 54 17.420 2.583 -25.689 1.00 33.30 N ATOM 0 H LYS A 54 13.206 3.289 -21.830 1.00 32.42 H new ATOM 0 HA LYS A 54 13.495 6.098 -21.727 1.00 61.21 H new ATOM 0 HB2 LYS A 54 15.714 5.666 -22.542 1.00 42.40 H new ATOM 0 HB3 LYS A 54 15.300 4.374 -21.433 1.00 42.40 H new ATOM 0 HG2 LYS A 54 14.699 2.932 -23.400 1.00 42.35 H new ATOM 0 HG3 LYS A 54 15.231 4.216 -24.467 1.00 42.35 H new ATOM 0 HD2 LYS A 54 17.294 3.728 -22.501 1.00 73.34 H new ATOM 0 HD3 LYS A 54 16.816 2.197 -23.207 1.00 73.34 H new ATOM 0 HE2 LYS A 54 17.330 4.582 -24.994 1.00 30.52 H new ATOM 0 HE3 LYS A 54 18.680 3.656 -24.366 1.00 30.52 H new ATOM 0 HZ1 LYS A 54 17.985 2.840 -26.524 1.00 33.30 H new ATOM 0 HZ2 LYS A 54 17.721 1.650 -25.342 1.00 33.30 H new ATOM 0 HZ3 LYS A 54 16.414 2.547 -25.949 1.00 33.30 H new ATOM 893 N GLU A 55 12.767 4.795 -24.644 1.00 24.34 N ATOM 894 CA GLU A 55 12.362 5.115 -26.007 1.00 62.23 C ATOM 895 C GLU A 55 11.224 6.131 -26.012 1.00 40.23 C ATOM 896 O GLU A 55 11.305 7.166 -26.672 1.00 55.42 O ATOM 897 CB GLU A 55 11.931 3.846 -26.746 1.00 11.11 C ATOM 898 CG GLU A 55 11.769 4.039 -28.244 1.00 43.34 C ATOM 899 CD GLU A 55 10.316 4.056 -28.677 1.00 41.11 C ATOM 900 OE1 GLU A 55 9.464 4.491 -27.875 1.00 11.44 O ATOM 901 OE2 GLU A 55 10.031 3.634 -29.817 1.00 40.01 O ATOM 0 H GLU A 55 12.672 3.810 -24.396 1.00 24.34 H new ATOM 0 HA GLU A 55 13.219 5.552 -26.520 1.00 62.23 H new ATOM 0 HB2 GLU A 55 12.668 3.063 -26.567 1.00 11.11 H new ATOM 0 HB3 GLU A 55 10.987 3.496 -26.329 1.00 11.11 H new ATOM 0 HG2 GLU A 55 12.243 4.975 -28.539 1.00 43.34 H new ATOM 0 HG3 GLU A 55 12.291 3.238 -28.768 1.00 43.34 H new ATOM 908 N GLY A 56 10.163 5.827 -25.271 1.00 71.41 N ATOM 909 CA GLY A 56 9.023 6.722 -25.204 1.00 50.22 C ATOM 910 C GLY A 56 9.408 8.119 -24.759 1.00 24.00 C ATOM 911 O GLY A 56 8.849 9.107 -25.237 1.00 34.44 O ATOM 0 H GLY A 56 10.073 4.976 -24.716 1.00 71.41 H new ATOM 0 HA2 GLY A 56 8.548 6.774 -26.184 1.00 50.22 H new ATOM 0 HA3 GLY A 56 8.285 6.314 -24.513 1.00 50.22 H new ATOM 915 N CYS A 57 10.365 8.203 -23.841 1.00 70.42 N ATOM 916 CA CYS A 57 10.823 9.489 -23.329 1.00 51.42 C ATOM 917 C CYS A 57 11.457 10.322 -24.439 1.00 70.40 C ATOM 918 O CYS A 57 11.412 11.551 -24.408 1.00 53.03 O ATOM 919 CB CYS A 57 11.826 9.282 -22.194 1.00 4.11 C ATOM 920 SG CYS A 57 11.122 9.483 -20.541 1.00 23.14 S ATOM 0 H CYS A 57 10.839 7.395 -23.436 1.00 70.42 H new ATOM 0 HA CYS A 57 9.957 10.028 -22.945 1.00 51.42 H new ATOM 0 HB2 CYS A 57 12.251 8.282 -22.277 1.00 4.11 H new ATOM 0 HB3 CYS A 57 12.647 9.988 -22.316 1.00 4.11 H new ATOM 0 HG CYS A 57 12.047 9.286 -19.649 1.00 23.14 H new ATOM 926 N GLN A 58 12.049 9.642 -25.416 1.00 55.45 N ATOM 927 CA GLN A 58 12.694 10.320 -26.535 1.00 20.03 C ATOM 928 C GLN A 58 11.680 11.119 -27.346 1.00 15.11 C ATOM 929 O GLN A 58 12.009 12.154 -27.926 1.00 60.22 O ATOM 930 CB GLN A 58 13.399 9.304 -27.436 1.00 11.44 C ATOM 931 CG GLN A 58 14.891 9.555 -27.584 1.00 52.42 C ATOM 932 CD GLN A 58 15.317 9.701 -29.032 1.00 32.42 C ATOM 933 OE1 GLN A 58 15.908 8.789 -29.611 1.00 40.25 O ATOM 934 NE2 GLN A 58 15.018 10.851 -29.625 1.00 32.43 N ATOM 0 H GLN A 58 12.095 8.624 -25.456 1.00 55.45 H new ATOM 0 HA GLN A 58 13.433 11.011 -26.131 1.00 20.03 H new ATOM 0 HB2 GLN A 58 13.246 8.304 -27.031 1.00 11.44 H new ATOM 0 HB3 GLN A 58 12.936 9.323 -28.423 1.00 11.44 H new ATOM 0 HG2 GLN A 58 15.160 10.459 -27.037 1.00 52.42 H new ATOM 0 HG3 GLN A 58 15.441 8.732 -27.129 1.00 52.42 H new ATOM 0 HE21 GLN A 58 14.527 11.580 -29.107 1.00 32.43 H new ATOM 0 HE22 GLN A 58 15.279 11.006 -30.599 1.00 32.43 H new ATOM 943 N LYS A 59 10.444 10.632 -27.383 1.00 13.53 N ATOM 944 CA LYS A 59 9.379 11.301 -28.122 1.00 24.10 C ATOM 945 C LYS A 59 8.848 12.501 -27.345 1.00 1.11 C ATOM 946 O LYS A 59 8.284 13.428 -27.927 1.00 10.45 O ATOM 947 CB LYS A 59 8.239 10.322 -28.412 1.00 2.13 C ATOM 948 CG LYS A 59 8.258 9.767 -29.826 1.00 5.35 C ATOM 949 CD LYS A 59 7.754 10.788 -30.832 1.00 64.10 C ATOM 950 CE LYS A 59 6.430 10.359 -31.445 1.00 40.20 C ATOM 951 NZ LYS A 59 5.367 10.200 -30.414 1.00 42.41 N ATOM 0 H LYS A 59 10.155 9.776 -26.910 1.00 13.53 H new ATOM 0 HA LYS A 59 9.793 11.656 -29.065 1.00 24.10 H new ATOM 0 HB2 LYS A 59 8.294 9.494 -27.705 1.00 2.13 H new ATOM 0 HB3 LYS A 59 7.287 10.825 -28.241 1.00 2.13 H new ATOM 0 HG2 LYS A 59 9.273 9.468 -30.087 1.00 5.35 H new ATOM 0 HG3 LYS A 59 7.639 8.871 -29.875 1.00 5.35 H new ATOM 0 HD2 LYS A 59 7.633 11.754 -30.342 1.00 64.10 H new ATOM 0 HD3 LYS A 59 8.495 10.921 -31.620 1.00 64.10 H new ATOM 0 HE2 LYS A 59 6.114 11.098 -32.181 1.00 40.20 H new ATOM 0 HE3 LYS A 59 6.564 9.417 -31.977 1.00 40.20 H new ATOM 0 HZ1 LYS A 59 4.435 10.193 -30.875 1.00 42.41 H new ATOM 0 HZ2 LYS A 59 5.508 9.304 -29.905 1.00 42.41 H new ATOM 0 HZ3 LYS A 59 5.415 10.992 -29.741 1.00 42.41 H new ATOM 965 N ILE A 60 9.033 12.477 -26.029 1.00 41.43 N ATOM 966 CA ILE A 60 8.574 13.565 -25.174 1.00 64.02 C ATOM 967 C ILE A 60 9.609 14.683 -25.104 1.00 24.35 C ATOM 968 O ILE A 60 9.263 15.857 -24.972 1.00 11.33 O ATOM 969 CB ILE A 60 8.272 13.070 -23.748 1.00 14.15 C ATOM 970 CG1 ILE A 60 7.436 11.789 -23.795 1.00 53.42 C ATOM 971 CG2 ILE A 60 7.551 14.150 -22.954 1.00 24.10 C ATOM 972 CD1 ILE A 60 7.127 11.218 -22.429 1.00 0.10 C ATOM 0 H ILE A 60 9.497 11.717 -25.532 1.00 41.43 H new ATOM 0 HA ILE A 60 7.656 13.950 -25.618 1.00 64.02 H new ATOM 0 HB ILE A 60 9.215 12.848 -23.249 1.00 14.15 H new ATOM 0 HG12 ILE A 60 6.500 11.995 -24.314 1.00 53.42 H new ATOM 0 HG13 ILE A 60 7.967 11.039 -24.381 1.00 53.42 H new ATOM 0 HG21 ILE A 60 7.344 13.785 -21.948 1.00 24.10 H new ATOM 0 HG22 ILE A 60 8.179 15.039 -22.896 1.00 24.10 H new ATOM 0 HG23 ILE A 60 6.613 14.400 -23.449 1.00 24.10 H new ATOM 0 HD11 ILE A 60 6.532 10.312 -22.540 1.00 0.10 H new ATOM 0 HD12 ILE A 60 8.058 10.980 -21.915 1.00 0.10 H new ATOM 0 HD13 ILE A 60 6.568 11.950 -21.847 1.00 0.10 H new ATOM 984 N LEU A 61 10.881 14.310 -25.194 1.00 2.12 N ATOM 985 CA LEU A 61 11.969 15.281 -25.142 1.00 55.32 C ATOM 986 C LEU A 61 12.144 15.974 -26.490 1.00 2.23 C ATOM 987 O LEU A 61 12.530 17.142 -26.555 1.00 24.23 O ATOM 988 CB LEU A 61 13.273 14.594 -24.735 1.00 43.51 C ATOM 989 CG LEU A 61 13.377 14.163 -23.272 1.00 15.02 C ATOM 990 CD1 LEU A 61 14.688 13.434 -23.021 1.00 54.14 C ATOM 991 CD2 LEU A 61 13.249 15.367 -22.350 1.00 43.44 C ATOM 0 H LEU A 61 11.184 13.342 -25.303 1.00 2.12 H new ATOM 0 HA LEU A 61 11.716 16.035 -24.397 1.00 55.32 H new ATOM 0 HB2 LEU A 61 13.407 13.713 -25.363 1.00 43.51 H new ATOM 0 HB3 LEU A 61 14.100 15.270 -24.953 1.00 43.51 H new ATOM 0 HG LEU A 61 12.557 13.477 -23.057 1.00 15.02 H new ATOM 0 HD11 LEU A 61 14.744 13.135 -21.974 1.00 54.14 H new ATOM 0 HD12 LEU A 61 14.739 12.548 -23.654 1.00 54.14 H new ATOM 0 HD13 LEU A 61 15.522 14.095 -23.254 1.00 54.14 H new ATOM 0 HD21 LEU A 61 13.325 15.041 -21.313 1.00 43.44 H new ATOM 0 HD22 LEU A 61 14.047 16.078 -22.567 1.00 43.44 H new ATOM 0 HD23 LEU A 61 12.283 15.846 -22.509 1.00 43.44 H new ATOM 1003 N THR A 62 11.856 15.248 -27.565 1.00 60.51 N ATOM 1004 CA THR A 62 11.981 15.792 -28.911 1.00 71.12 C ATOM 1005 C THR A 62 10.955 16.892 -29.157 1.00 1.54 C ATOM 1006 O THR A 62 11.234 17.873 -29.847 1.00 25.20 O ATOM 1007 CB THR A 62 11.806 14.696 -29.979 1.00 30.50 C ATOM 1008 OG1 THR A 62 12.382 15.123 -31.219 1.00 32.45 O ATOM 1009 CG2 THR A 62 10.334 14.369 -30.183 1.00 43.14 C ATOM 0 H THR A 62 11.534 14.281 -27.530 1.00 60.51 H new ATOM 0 HA THR A 62 12.985 16.210 -28.990 1.00 71.12 H new ATOM 0 HB THR A 62 12.317 13.797 -29.633 1.00 30.50 H new ATOM 0 HG1 THR A 62 12.268 14.420 -31.892 1.00 32.45 H new ATOM 0 HG21 THR A 62 10.236 13.593 -30.942 1.00 43.14 H new ATOM 0 HG22 THR A 62 9.906 14.016 -29.245 1.00 43.14 H new ATOM 0 HG23 THR A 62 9.804 15.264 -30.509 1.00 43.14 H new ATOM 1017 N VAL A 63 9.766 16.725 -28.586 1.00 61.12 N ATOM 1018 CA VAL A 63 8.699 17.706 -28.742 1.00 34.43 C ATOM 1019 C VAL A 63 8.938 18.924 -27.857 1.00 21.44 C ATOM 1020 O VAL A 63 8.833 20.064 -28.309 1.00 52.34 O ATOM 1021 CB VAL A 63 7.325 17.099 -28.400 1.00 73.32 C ATOM 1022 CG1 VAL A 63 6.239 18.161 -28.473 1.00 15.04 C ATOM 1023 CG2 VAL A 63 7.009 15.938 -29.331 1.00 64.41 C ATOM 0 H VAL A 63 9.518 15.920 -28.011 1.00 61.12 H new ATOM 0 HA VAL A 63 8.703 18.014 -29.788 1.00 34.43 H new ATOM 0 HB VAL A 63 7.360 16.718 -27.379 1.00 73.32 H new ATOM 0 HG11 VAL A 63 5.276 17.714 -28.228 1.00 15.04 H new ATOM 0 HG12 VAL A 63 6.460 18.957 -27.762 1.00 15.04 H new ATOM 0 HG13 VAL A 63 6.202 18.574 -29.481 1.00 15.04 H new ATOM 0 HG21 VAL A 63 6.035 15.521 -29.075 1.00 64.41 H new ATOM 0 HG22 VAL A 63 6.993 16.292 -30.362 1.00 64.41 H new ATOM 0 HG23 VAL A 63 7.773 15.168 -29.224 1.00 64.41 H new ATOM 1033 N LEU A 64 9.261 18.675 -26.592 1.00 62.24 N ATOM 1034 CA LEU A 64 9.517 19.752 -25.642 1.00 31.51 C ATOM 1035 C LEU A 64 10.851 20.431 -25.934 1.00 71.25 C ATOM 1036 O LEU A 64 11.098 21.553 -25.492 1.00 74.03 O ATOM 1037 CB LEU A 64 9.511 19.208 -24.212 1.00 0.21 C ATOM 1038 CG LEU A 64 8.268 18.420 -23.798 1.00 54.15 C ATOM 1039 CD1 LEU A 64 8.549 17.594 -22.553 1.00 70.11 C ATOM 1040 CD2 LEU A 64 7.094 19.360 -23.563 1.00 42.13 C ATOM 0 H LEU A 64 9.352 17.737 -26.201 1.00 62.24 H new ATOM 0 HA LEU A 64 8.724 20.492 -25.747 1.00 31.51 H new ATOM 0 HB2 LEU A 64 10.382 18.566 -24.086 1.00 0.21 H new ATOM 0 HB3 LEU A 64 9.630 20.046 -23.525 1.00 0.21 H new ATOM 0 HG LEU A 64 8.007 17.740 -24.609 1.00 54.15 H new ATOM 0 HD11 LEU A 64 7.653 17.040 -22.274 1.00 70.11 H new ATOM 0 HD12 LEU A 64 9.359 16.894 -22.756 1.00 70.11 H new ATOM 0 HD13 LEU A 64 8.837 18.255 -21.735 1.00 70.11 H new ATOM 0 HD21 LEU A 64 6.218 18.782 -23.269 1.00 42.13 H new ATOM 0 HD22 LEU A 64 7.346 20.065 -22.771 1.00 42.13 H new ATOM 0 HD23 LEU A 64 6.877 19.907 -24.480 1.00 42.13 H new ATOM 1052 N ASP A 65 11.707 19.744 -26.684 1.00 14.25 N ATOM 1053 CA ASP A 65 13.015 20.282 -27.038 1.00 53.45 C ATOM 1054 C ASP A 65 12.879 21.653 -27.695 1.00 34.40 C ATOM 1055 O ASP A 65 13.337 22.668 -27.171 1.00 22.25 O ATOM 1056 CB ASP A 65 13.747 19.323 -27.978 1.00 55.14 C ATOM 1057 CG ASP A 65 14.913 18.629 -27.304 1.00 21.24 C ATOM 1058 OD1 ASP A 65 15.598 19.278 -26.486 1.00 2.42 O ATOM 1059 OD2 ASP A 65 15.140 17.436 -27.593 1.00 25.44 O ATOM 0 H ASP A 65 11.518 18.814 -27.058 1.00 14.25 H new ATOM 0 HA ASP A 65 13.595 20.394 -26.122 1.00 53.45 H new ATOM 0 HB2 ASP A 65 13.046 18.574 -28.346 1.00 55.14 H new ATOM 0 HB3 ASP A 65 14.109 19.875 -28.846 1.00 55.14 H new ATOM 1064 N PRO A 66 12.234 21.684 -28.871 1.00 3.40 N ATOM 1065 CA PRO A 66 12.023 22.924 -29.625 1.00 24.31 C ATOM 1066 C PRO A 66 11.027 23.855 -28.943 1.00 21.14 C ATOM 1067 O PRO A 66 10.844 24.997 -29.362 1.00 14.21 O ATOM 1068 CB PRO A 66 11.467 22.434 -30.964 1.00 71.11 C ATOM 1069 CG PRO A 66 10.835 21.121 -30.654 1.00 62.23 C ATOM 1070 CD PRO A 66 11.662 20.513 -29.555 1.00 35.20 C ATOM 0 HA PRO A 66 12.940 23.507 -29.716 1.00 24.31 H new ATOM 0 HB2 PRO A 66 10.740 23.137 -31.372 1.00 71.11 H new ATOM 0 HB3 PRO A 66 12.258 22.327 -31.706 1.00 71.11 H new ATOM 0 HG2 PRO A 66 9.800 21.251 -30.337 1.00 62.23 H new ATOM 0 HG3 PRO A 66 10.821 20.477 -31.534 1.00 62.23 H new ATOM 0 HD2 PRO A 66 11.053 19.911 -28.880 1.00 35.20 H new ATOM 0 HD3 PRO A 66 12.439 19.860 -29.951 1.00 35.20 H new ATOM 1078 N MET A 67 10.387 23.359 -27.889 1.00 14.11 N ATOM 1079 CA MET A 67 9.410 24.149 -27.148 1.00 31.42 C ATOM 1080 C MET A 67 10.057 24.821 -25.942 1.00 3.54 C ATOM 1081 O MET A 67 9.532 25.798 -25.407 1.00 44.42 O ATOM 1082 CB MET A 67 8.249 23.264 -26.691 1.00 35.15 C ATOM 1083 CG MET A 67 7.412 22.719 -27.837 1.00 12.03 C ATOM 1084 SD MET A 67 6.101 23.851 -28.339 1.00 32.53 S ATOM 1085 CE MET A 67 6.824 24.577 -29.807 1.00 64.13 C ATOM 0 H MET A 67 10.527 22.415 -27.529 1.00 14.11 H new ATOM 0 HA MET A 67 9.028 24.924 -27.812 1.00 31.42 H new ATOM 0 HB2 MET A 67 8.645 22.429 -26.112 1.00 35.15 H new ATOM 0 HB3 MET A 67 7.606 23.838 -26.024 1.00 35.15 H new ATOM 0 HG2 MET A 67 8.059 22.517 -28.691 1.00 12.03 H new ATOM 0 HG3 MET A 67 6.971 21.768 -27.539 1.00 12.03 H new ATOM 0 HE1 MET A 67 6.582 25.639 -29.844 1.00 64.13 H new ATOM 0 HE2 MET A 67 7.906 24.452 -29.779 1.00 64.13 H new ATOM 0 HE3 MET A 67 6.424 24.083 -30.692 1.00 64.13 H new ATOM 1095 N VAL A 68 11.200 24.292 -25.517 1.00 45.31 N ATOM 1096 CA VAL A 68 11.920 24.842 -24.374 1.00 52.34 C ATOM 1097 C VAL A 68 12.051 26.357 -24.485 1.00 15.23 C ATOM 1098 O VAL A 68 11.611 27.108 -23.614 1.00 55.31 O ATOM 1099 CB VAL A 68 13.325 24.225 -24.246 1.00 30.15 C ATOM 1100 CG1 VAL A 68 14.288 25.217 -23.613 1.00 5.15 C ATOM 1101 CG2 VAL A 68 13.268 22.936 -23.440 1.00 22.05 C ATOM 0 H VAL A 68 11.648 23.483 -25.947 1.00 45.31 H new ATOM 0 HA VAL A 68 11.340 24.594 -23.485 1.00 52.34 H new ATOM 0 HB VAL A 68 13.691 23.987 -25.245 1.00 30.15 H new ATOM 0 HG11 VAL A 68 15.276 24.763 -23.531 1.00 5.15 H new ATOM 0 HG12 VAL A 68 14.350 26.111 -24.234 1.00 5.15 H new ATOM 0 HG13 VAL A 68 13.930 25.489 -22.620 1.00 5.15 H new ATOM 0 HG21 VAL A 68 14.269 22.513 -23.359 1.00 22.05 H new ATOM 0 HG22 VAL A 68 12.882 23.147 -22.443 1.00 22.05 H new ATOM 0 HG23 VAL A 68 12.612 22.223 -23.940 1.00 22.05 H new ATOM 1111 N PRO A 69 12.670 26.819 -25.581 1.00 54.42 N ATOM 1112 CA PRO A 69 12.872 28.249 -25.833 1.00 10.33 C ATOM 1113 C PRO A 69 11.567 28.973 -26.145 1.00 51.40 C ATOM 1114 O PRO A 69 11.355 30.107 -25.714 1.00 51.53 O ATOM 1115 CB PRO A 69 13.798 28.268 -27.051 1.00 64.51 C ATOM 1116 CG PRO A 69 13.539 26.974 -27.743 1.00 42.25 C ATOM 1117 CD PRO A 69 13.219 25.981 -26.660 1.00 42.53 C ATOM 0 HA PRO A 69 13.280 28.762 -24.962 1.00 10.33 H new ATOM 0 HB2 PRO A 69 13.580 29.115 -27.701 1.00 64.51 H new ATOM 0 HB3 PRO A 69 14.843 28.356 -26.753 1.00 64.51 H new ATOM 0 HG2 PRO A 69 12.710 27.066 -28.445 1.00 42.25 H new ATOM 0 HG3 PRO A 69 14.410 26.658 -28.317 1.00 42.25 H new ATOM 0 HD2 PRO A 69 12.498 25.237 -26.997 1.00 42.53 H new ATOM 0 HD3 PRO A 69 14.108 25.440 -26.336 1.00 42.53 H new ATOM 1125 N THR A 70 10.693 28.311 -26.897 1.00 1.01 N ATOM 1126 CA THR A 70 9.409 28.892 -27.267 1.00 72.24 C ATOM 1127 C THR A 70 8.277 28.299 -26.436 1.00 71.32 C ATOM 1128 O THR A 70 7.212 27.976 -26.961 1.00 13.45 O ATOM 1129 CB THR A 70 9.103 28.672 -28.761 1.00 50.41 C ATOM 1130 OG1 THR A 70 10.323 28.622 -29.509 1.00 22.23 O ATOM 1131 CG2 THR A 70 8.217 29.785 -29.301 1.00 62.12 C ATOM 0 H THR A 70 10.852 27.372 -27.262 1.00 1.01 H new ATOM 0 HA THR A 70 9.478 29.962 -27.071 1.00 72.24 H new ATOM 0 HB THR A 70 8.574 27.725 -28.865 1.00 50.41 H new ATOM 0 HG1 THR A 70 10.120 28.480 -30.457 1.00 22.23 H new ATOM 0 HG21 THR A 70 8.014 29.609 -30.357 1.00 62.12 H new ATOM 0 HG22 THR A 70 7.277 29.802 -28.749 1.00 62.12 H new ATOM 0 HG23 THR A 70 8.724 30.743 -29.184 1.00 62.12 H new ATOM 1139 N GLY A 71 8.515 28.158 -25.136 1.00 33.14 N ATOM 1140 CA GLY A 71 7.505 27.604 -24.253 1.00 10.04 C ATOM 1141 C GLY A 71 7.538 28.227 -22.871 1.00 51.22 C ATOM 1142 O GLY A 71 8.610 28.478 -22.321 1.00 42.34 O ATOM 0 H GLY A 71 9.389 28.417 -24.678 1.00 33.14 H new ATOM 0 HA2 GLY A 71 6.519 27.756 -24.693 1.00 10.04 H new ATOM 0 HA3 GLY A 71 7.653 26.528 -24.167 1.00 10.04 H new ATOM 1146 N SER A 72 6.360 28.479 -22.309 1.00 40.32 N ATOM 1147 CA SER A 72 6.258 29.082 -20.985 1.00 41.45 C ATOM 1148 C SER A 72 7.039 28.270 -19.957 1.00 2.42 C ATOM 1149 O SER A 72 7.466 27.149 -20.231 1.00 1.34 O ATOM 1150 CB SER A 72 4.792 29.188 -20.562 1.00 11.44 C ATOM 1151 OG SER A 72 4.358 28.000 -19.924 1.00 22.41 O ATOM 0 H SER A 72 5.463 28.275 -22.750 1.00 40.32 H new ATOM 0 HA SER A 72 6.688 30.083 -21.034 1.00 41.45 H new ATOM 0 HB2 SER A 72 4.665 30.034 -19.887 1.00 11.44 H new ATOM 0 HB3 SER A 72 4.171 29.382 -21.437 1.00 11.44 H new ATOM 0 HG SER A 72 3.418 28.094 -19.662 1.00 22.41 H new ATOM 1157 N GLU A 73 7.222 28.846 -18.772 1.00 74.15 N ATOM 1158 CA GLU A 73 7.952 28.176 -17.703 1.00 1.22 C ATOM 1159 C GLU A 73 7.312 26.833 -17.365 1.00 33.10 C ATOM 1160 O GLU A 73 8.005 25.858 -17.078 1.00 73.34 O ATOM 1161 CB GLU A 73 7.997 29.060 -16.455 1.00 4.22 C ATOM 1162 CG GLU A 73 9.237 29.935 -16.373 1.00 63.30 C ATOM 1163 CD GLU A 73 10.425 29.208 -15.774 1.00 24.25 C ATOM 1164 OE1 GLU A 73 10.343 27.972 -15.610 1.00 44.33 O ATOM 1165 OE2 GLU A 73 11.436 29.874 -15.468 1.00 24.45 O ATOM 0 H GLU A 73 6.875 29.774 -18.529 1.00 74.15 H new ATOM 0 HA GLU A 73 8.970 27.997 -18.050 1.00 1.22 H new ATOM 0 HB2 GLU A 73 7.112 29.696 -16.439 1.00 4.22 H new ATOM 0 HB3 GLU A 73 7.951 28.426 -15.569 1.00 4.22 H new ATOM 0 HG2 GLU A 73 9.496 30.286 -17.372 1.00 63.30 H new ATOM 0 HG3 GLU A 73 9.015 30.817 -15.773 1.00 63.30 H new ATOM 1172 N ASN A 74 5.984 26.791 -17.401 1.00 12.44 N ATOM 1173 CA ASN A 74 5.249 25.569 -17.097 1.00 72.22 C ATOM 1174 C ASN A 74 5.692 24.428 -18.008 1.00 32.32 C ATOM 1175 O ASN A 74 5.552 23.253 -17.663 1.00 1.41 O ATOM 1176 CB ASN A 74 3.744 25.802 -17.249 1.00 4.53 C ATOM 1177 CG ASN A 74 3.231 26.887 -16.321 1.00 44.12 C ATOM 1178 OD1 ASN A 74 3.781 27.987 -16.271 1.00 2.51 O ATOM 1179 ND2 ASN A 74 2.172 26.580 -15.581 1.00 44.30 N ATOM 0 H ASN A 74 5.395 27.589 -17.638 1.00 12.44 H new ATOM 0 HA ASN A 74 5.464 25.292 -16.065 1.00 72.22 H new ATOM 0 HB2 ASN A 74 3.524 26.076 -18.281 1.00 4.53 H new ATOM 0 HB3 ASN A 74 3.213 24.872 -17.046 1.00 4.53 H new ATOM 0 HD21 ASN A 74 1.782 27.269 -14.938 1.00 44.30 H new ATOM 0 HD22 ASN A 74 1.749 25.655 -15.656 1.00 44.30 H new ATOM 1186 N LEU A 75 6.227 24.780 -19.171 1.00 51.43 N ATOM 1187 CA LEU A 75 6.692 23.786 -20.132 1.00 53.35 C ATOM 1188 C LEU A 75 8.166 23.465 -19.913 1.00 25.51 C ATOM 1189 O LEU A 75 8.648 22.403 -20.311 1.00 12.51 O ATOM 1190 CB LEU A 75 6.475 24.289 -21.561 1.00 33.31 C ATOM 1191 CG LEU A 75 6.862 23.320 -22.679 1.00 53.11 C ATOM 1192 CD1 LEU A 75 5.888 23.431 -23.842 1.00 42.22 C ATOM 1193 CD2 LEU A 75 8.286 23.586 -23.146 1.00 35.32 C ATOM 0 H LEU A 75 6.350 25.747 -19.472 1.00 51.43 H new ATOM 0 HA LEU A 75 6.114 22.874 -19.982 1.00 53.35 H new ATOM 0 HB2 LEU A 75 5.422 24.546 -21.678 1.00 33.31 H new ATOM 0 HB3 LEU A 75 7.045 25.209 -21.691 1.00 33.31 H new ATOM 0 HG LEU A 75 6.813 22.304 -22.287 1.00 53.11 H new ATOM 0 HD11 LEU A 75 6.179 22.734 -24.628 1.00 42.22 H new ATOM 0 HD12 LEU A 75 4.882 23.191 -23.498 1.00 42.22 H new ATOM 0 HD13 LEU A 75 5.904 24.448 -24.234 1.00 42.22 H new ATOM 0 HD21 LEU A 75 8.544 22.887 -23.942 1.00 35.32 H new ATOM 0 HD22 LEU A 75 8.361 24.607 -23.521 1.00 35.32 H new ATOM 0 HD23 LEU A 75 8.973 23.455 -22.310 1.00 35.32 H new ATOM 1205 N LYS A 76 8.879 24.387 -19.275 1.00 63.21 N ATOM 1206 CA LYS A 76 10.299 24.201 -18.998 1.00 52.24 C ATOM 1207 C LYS A 76 10.507 23.185 -17.880 1.00 71.44 C ATOM 1208 O LYS A 76 11.422 22.363 -17.938 1.00 10.32 O ATOM 1209 CB LYS A 76 10.943 25.535 -18.615 1.00 44.45 C ATOM 1210 CG LYS A 76 11.846 26.107 -19.695 1.00 63.40 C ATOM 1211 CD LYS A 76 12.029 27.606 -19.533 1.00 3.30 C ATOM 1212 CE LYS A 76 12.062 28.313 -20.880 1.00 22.53 C ATOM 1213 NZ LYS A 76 11.891 29.785 -20.738 1.00 42.11 N ATOM 0 H LYS A 76 8.497 25.271 -18.940 1.00 63.21 H new ATOM 0 HA LYS A 76 10.774 23.821 -19.903 1.00 52.24 H new ATOM 0 HB2 LYS A 76 10.158 26.257 -18.390 1.00 44.45 H new ATOM 0 HB3 LYS A 76 11.523 25.400 -17.702 1.00 44.45 H new ATOM 0 HG2 LYS A 76 12.818 25.615 -19.656 1.00 63.40 H new ATOM 0 HG3 LYS A 76 11.420 25.895 -20.676 1.00 63.40 H new ATOM 0 HD2 LYS A 76 11.216 28.010 -18.929 1.00 3.30 H new ATOM 0 HD3 LYS A 76 12.955 27.804 -18.994 1.00 3.30 H new ATOM 0 HE2 LYS A 76 13.009 28.104 -21.377 1.00 22.53 H new ATOM 0 HE3 LYS A 76 11.273 27.916 -21.518 1.00 22.53 H new ATOM 0 HZ1 LYS A 76 11.919 30.230 -21.678 1.00 42.11 H new ATOM 0 HZ2 LYS A 76 10.976 29.986 -20.287 1.00 42.11 H new ATOM 0 HZ3 LYS A 76 12.658 30.169 -20.150 1.00 42.11 H new ATOM 1227 N SER A 77 9.651 23.245 -16.865 1.00 62.10 N ATOM 1228 CA SER A 77 9.743 22.331 -15.733 1.00 21.33 C ATOM 1229 C SER A 77 9.405 20.905 -16.157 1.00 34.22 C ATOM 1230 O SER A 77 9.990 19.941 -15.660 1.00 54.31 O ATOM 1231 CB SER A 77 8.803 22.778 -14.611 1.00 43.14 C ATOM 1232 OG SER A 77 9.525 23.384 -13.553 1.00 14.12 O ATOM 0 H SER A 77 8.886 23.917 -16.804 1.00 62.10 H new ATOM 0 HA SER A 77 10.769 22.349 -15.366 1.00 21.33 H new ATOM 0 HB2 SER A 77 8.070 23.482 -15.005 1.00 43.14 H new ATOM 0 HB3 SER A 77 8.249 21.919 -14.232 1.00 43.14 H new ATOM 0 HG SER A 77 8.902 23.662 -12.849 1.00 14.12 H new ATOM 1238 N LEU A 78 8.456 20.778 -17.078 1.00 62.03 N ATOM 1239 CA LEU A 78 8.038 19.470 -17.571 1.00 2.01 C ATOM 1240 C LEU A 78 9.118 18.850 -18.452 1.00 75.42 C ATOM 1241 O LEU A 78 9.161 17.633 -18.635 1.00 22.24 O ATOM 1242 CB LEU A 78 6.731 19.593 -18.356 1.00 20.21 C ATOM 1243 CG LEU A 78 6.222 18.311 -19.017 1.00 43.31 C ATOM 1244 CD1 LEU A 78 5.908 17.257 -17.967 1.00 3.12 C ATOM 1245 CD2 LEU A 78 4.994 18.601 -19.868 1.00 4.41 C ATOM 0 H LEU A 78 7.961 21.565 -17.499 1.00 62.03 H new ATOM 0 HA LEU A 78 7.878 18.819 -16.712 1.00 2.01 H new ATOM 0 HB2 LEU A 78 5.958 19.962 -17.681 1.00 20.21 H new ATOM 0 HB3 LEU A 78 6.865 20.349 -19.130 1.00 20.21 H new ATOM 0 HG LEU A 78 7.007 17.924 -19.667 1.00 43.31 H new ATOM 0 HD11 LEU A 78 5.547 16.352 -18.456 1.00 3.12 H new ATOM 0 HD12 LEU A 78 6.810 17.028 -17.400 1.00 3.12 H new ATOM 0 HD13 LEU A 78 5.141 17.634 -17.291 1.00 3.12 H new ATOM 0 HD21 LEU A 78 4.646 17.678 -20.331 1.00 4.41 H new ATOM 0 HD22 LEU A 78 4.204 19.012 -19.239 1.00 4.41 H new ATOM 0 HD23 LEU A 78 5.251 19.321 -20.645 1.00 4.41 H new ATOM 1257 N PHE A 79 9.988 19.694 -18.995 1.00 64.11 N ATOM 1258 CA PHE A 79 11.069 19.228 -19.856 1.00 42.54 C ATOM 1259 C PHE A 79 12.272 18.785 -19.029 1.00 33.35 C ATOM 1260 O PHE A 79 12.804 17.693 -19.224 1.00 31.14 O ATOM 1261 CB PHE A 79 11.486 20.333 -20.830 1.00 14.01 C ATOM 1262 CG PHE A 79 12.759 20.033 -21.567 1.00 44.42 C ATOM 1263 CD1 PHE A 79 12.789 19.071 -22.563 1.00 72.14 C ATOM 1264 CD2 PHE A 79 13.928 20.714 -21.264 1.00 35.14 C ATOM 1265 CE1 PHE A 79 13.959 18.793 -23.244 1.00 62.11 C ATOM 1266 CE2 PHE A 79 15.101 20.441 -21.941 1.00 73.42 C ATOM 1267 CZ PHE A 79 15.117 19.478 -22.932 1.00 11.13 C ATOM 0 H PHE A 79 9.966 20.704 -18.854 1.00 64.11 H new ATOM 0 HA PHE A 79 10.704 18.371 -20.422 1.00 42.54 H new ATOM 0 HB2 PHE A 79 10.685 20.490 -21.553 1.00 14.01 H new ATOM 0 HB3 PHE A 79 11.606 21.266 -20.279 1.00 14.01 H new ATOM 0 HD1 PHE A 79 11.887 18.531 -22.811 1.00 72.14 H new ATOM 0 HD2 PHE A 79 13.922 21.467 -20.490 1.00 35.14 H new ATOM 0 HE1 PHE A 79 13.968 18.041 -24.019 1.00 62.11 H new ATOM 0 HE2 PHE A 79 16.004 20.980 -21.696 1.00 73.42 H new ATOM 0 HZ PHE A 79 16.033 19.261 -23.461 1.00 11.13 H new ATOM 1277 N ASN A 80 12.694 19.641 -18.104 1.00 23.21 N ATOM 1278 CA ASN A 80 13.835 19.338 -17.247 1.00 13.45 C ATOM 1279 C ASN A 80 13.615 18.032 -16.489 1.00 52.24 C ATOM 1280 O ASN A 80 14.567 17.325 -16.157 1.00 41.53 O ATOM 1281 CB ASN A 80 14.072 20.481 -16.257 1.00 23.21 C ATOM 1282 CG ASN A 80 13.360 20.259 -14.936 1.00 43.33 C ATOM 1283 OD1 ASN A 80 12.248 20.745 -14.729 1.00 61.41 O ATOM 1284 ND2 ASN A 80 14.000 19.523 -14.035 1.00 45.14 N ATOM 0 H ASN A 80 12.264 20.549 -17.929 1.00 23.21 H new ATOM 0 HA ASN A 80 14.715 19.226 -17.881 1.00 13.45 H new ATOM 0 HB2 ASN A 80 15.142 20.586 -16.077 1.00 23.21 H new ATOM 0 HB3 ASN A 80 13.730 21.417 -16.698 1.00 23.21 H new ATOM 0 HD21 ASN A 80 13.571 19.340 -13.128 1.00 45.14 H new ATOM 0 HD22 ASN A 80 14.921 19.140 -14.250 1.00 45.14 H new ATOM 1291 N THR A 81 12.352 17.716 -16.219 1.00 51.44 N ATOM 1292 CA THR A 81 12.006 16.496 -15.501 1.00 51.24 C ATOM 1293 C THR A 81 12.190 15.268 -16.385 1.00 23.54 C ATOM 1294 O THR A 81 12.768 14.267 -15.961 1.00 24.35 O ATOM 1295 CB THR A 81 10.552 16.536 -14.994 1.00 2.02 C ATOM 1296 OG1 THR A 81 10.361 17.673 -14.145 1.00 33.04 O ATOM 1297 CG2 THR A 81 10.210 15.264 -14.232 1.00 51.42 C ATOM 0 H THR A 81 11.552 18.289 -16.487 1.00 51.44 H new ATOM 0 HA THR A 81 12.679 16.430 -14.646 1.00 51.24 H new ATOM 0 HB THR A 81 9.891 16.612 -15.857 1.00 2.02 H new ATOM 0 HG1 THR A 81 10.137 18.455 -14.691 1.00 33.04 H new ATOM 0 HG21 THR A 81 9.178 15.315 -13.884 1.00 51.42 H new ATOM 0 HG22 THR A 81 10.329 14.403 -14.890 1.00 51.42 H new ATOM 0 HG23 THR A 81 10.877 15.162 -13.376 1.00 51.42 H new ATOM 1305 N VAL A 82 11.696 15.350 -17.616 1.00 31.32 N ATOM 1306 CA VAL A 82 11.808 14.244 -18.560 1.00 40.50 C ATOM 1307 C VAL A 82 13.268 13.899 -18.831 1.00 30.23 C ATOM 1308 O VAL A 82 13.638 12.726 -18.890 1.00 70.42 O ATOM 1309 CB VAL A 82 11.114 14.574 -19.895 1.00 11.11 C ATOM 1310 CG1 VAL A 82 11.226 13.403 -20.859 1.00 32.33 C ATOM 1311 CG2 VAL A 82 9.657 14.945 -19.660 1.00 64.12 C ATOM 0 H VAL A 82 11.214 16.171 -17.983 1.00 31.32 H new ATOM 0 HA VAL A 82 11.314 13.386 -18.104 1.00 40.50 H new ATOM 0 HB VAL A 82 11.616 15.431 -20.343 1.00 11.11 H new ATOM 0 HG11 VAL A 82 10.730 13.655 -21.796 1.00 32.33 H new ATOM 0 HG12 VAL A 82 12.277 13.189 -21.051 1.00 32.33 H new ATOM 0 HG13 VAL A 82 10.751 12.525 -20.422 1.00 32.33 H new ATOM 0 HG21 VAL A 82 9.182 15.175 -20.614 1.00 64.12 H new ATOM 0 HG22 VAL A 82 9.140 14.109 -19.189 1.00 64.12 H new ATOM 0 HG23 VAL A 82 9.604 15.817 -19.008 1.00 64.12 H new ATOM 1321 N CYS A 83 14.093 14.927 -18.993 1.00 41.04 N ATOM 1322 CA CYS A 83 15.514 14.732 -19.258 1.00 42.42 C ATOM 1323 C CYS A 83 16.147 13.837 -18.198 1.00 42.11 C ATOM 1324 O CYS A 83 17.022 13.024 -18.498 1.00 52.43 O ATOM 1325 CB CYS A 83 16.235 16.080 -19.302 1.00 4.44 C ATOM 1326 SG CYS A 83 16.085 16.948 -20.881 1.00 72.40 S ATOM 0 H CYS A 83 13.803 15.904 -18.946 1.00 41.04 H new ATOM 0 HA CYS A 83 15.614 14.243 -20.227 1.00 42.42 H new ATOM 0 HB2 CYS A 83 15.840 16.717 -18.511 1.00 4.44 H new ATOM 0 HB3 CYS A 83 17.292 15.922 -19.086 1.00 4.44 H new ATOM 0 HG CYS A 83 15.626 18.147 -20.675 1.00 72.40 H new ATOM 1332 N VAL A 84 15.701 13.993 -16.956 1.00 35.12 N ATOM 1333 CA VAL A 84 16.223 13.199 -15.850 1.00 45.22 C ATOM 1334 C VAL A 84 15.687 11.773 -15.896 1.00 65.30 C ATOM 1335 O VAL A 84 16.429 10.813 -15.681 1.00 13.31 O ATOM 1336 CB VAL A 84 15.865 13.827 -14.490 1.00 64.00 C ATOM 1337 CG1 VAL A 84 16.361 12.950 -13.350 1.00 43.51 C ATOM 1338 CG2 VAL A 84 16.441 15.231 -14.384 1.00 25.14 C ATOM 0 H VAL A 84 14.979 14.662 -16.690 1.00 35.12 H new ATOM 0 HA VAL A 84 17.307 13.180 -15.959 1.00 45.22 H new ATOM 0 HB VAL A 84 14.780 13.898 -14.416 1.00 64.00 H new ATOM 0 HG11 VAL A 84 16.099 13.410 -12.397 1.00 43.51 H new ATOM 0 HG12 VAL A 84 15.896 11.967 -13.419 1.00 43.51 H new ATOM 0 HG13 VAL A 84 17.444 12.845 -13.417 1.00 43.51 H new ATOM 0 HG21 VAL A 84 16.179 15.660 -13.417 1.00 25.14 H new ATOM 0 HG22 VAL A 84 17.526 15.187 -14.479 1.00 25.14 H new ATOM 0 HG23 VAL A 84 16.032 15.853 -15.180 1.00 25.14 H new ATOM 1348 N ILE A 85 14.396 11.641 -16.178 1.00 72.31 N ATOM 1349 CA ILE A 85 13.761 10.331 -16.254 1.00 31.21 C ATOM 1350 C ILE A 85 14.420 9.462 -17.320 1.00 35.54 C ATOM 1351 O ILE A 85 14.705 8.287 -17.087 1.00 61.13 O ATOM 1352 CB ILE A 85 12.257 10.451 -16.563 1.00 11.20 C ATOM 1353 CG1 ILE A 85 11.552 11.254 -15.468 1.00 34.11 C ATOM 1354 CG2 ILE A 85 11.632 9.071 -16.701 1.00 24.20 C ATOM 1355 CD1 ILE A 85 11.456 10.521 -14.148 1.00 4.31 C ATOM 0 H ILE A 85 13.769 12.425 -16.358 1.00 72.31 H new ATOM 0 HA ILE A 85 13.886 9.863 -15.278 1.00 31.21 H new ATOM 0 HB ILE A 85 12.137 10.979 -17.509 1.00 11.20 H new ATOM 0 HG12 ILE A 85 12.086 12.192 -15.316 1.00 34.11 H new ATOM 0 HG13 ILE A 85 10.548 11.510 -15.806 1.00 34.11 H new ATOM 0 HG21 ILE A 85 10.569 9.173 -16.919 1.00 24.20 H new ATOM 0 HG22 ILE A 85 12.119 8.531 -17.513 1.00 24.20 H new ATOM 0 HG23 ILE A 85 11.760 8.519 -15.770 1.00 24.20 H new ATOM 0 HD11 ILE A 85 10.945 11.150 -13.419 1.00 4.31 H new ATOM 0 HD12 ILE A 85 10.896 9.596 -14.285 1.00 4.31 H new ATOM 0 HD13 ILE A 85 12.458 10.288 -13.787 1.00 4.31 H new ATOM 1367 N TRP A 86 14.659 10.047 -18.487 1.00 62.02 N ATOM 1368 CA TRP A 86 15.287 9.326 -19.589 1.00 75.00 C ATOM 1369 C TRP A 86 16.706 8.903 -19.225 1.00 55.32 C ATOM 1370 O TRP A 86 17.140 7.801 -19.562 1.00 44.42 O ATOM 1371 CB TRP A 86 15.307 10.194 -20.848 1.00 52.40 C ATOM 1372 CG TRP A 86 15.961 9.527 -22.020 1.00 32.33 C ATOM 1373 CD1 TRP A 86 15.338 8.864 -23.038 1.00 74.03 C ATOM 1374 CD2 TRP A 86 17.365 9.456 -22.292 1.00 34.22 C ATOM 1375 NE1 TRP A 86 16.270 8.385 -23.927 1.00 54.23 N ATOM 1376 CE2 TRP A 86 17.520 8.736 -23.493 1.00 24.25 C ATOM 1377 CE3 TRP A 86 18.505 9.932 -21.640 1.00 10.15 C ATOM 1378 CZ2 TRP A 86 18.770 8.481 -24.051 1.00 2.33 C ATOM 1379 CZ3 TRP A 86 19.745 9.678 -22.195 1.00 13.44 C ATOM 1380 CH2 TRP A 86 19.870 8.959 -23.391 1.00 14.23 C ATOM 0 H TRP A 86 14.428 11.018 -18.696 1.00 62.02 H new ATOM 0 HA TRP A 86 14.700 8.429 -19.784 1.00 75.00 H new ATOM 0 HB2 TRP A 86 14.284 10.459 -21.114 1.00 52.40 H new ATOM 0 HB3 TRP A 86 15.831 11.125 -20.630 1.00 52.40 H new ATOM 0 HD1 TRP A 86 14.270 8.735 -23.131 1.00 74.03 H new ATOM 0 HE1 TRP A 86 16.064 7.854 -24.773 1.00 54.23 H new ATOM 0 HE3 TRP A 86 18.419 10.489 -20.719 1.00 10.15 H new ATOM 0 HZ2 TRP A 86 18.868 7.926 -24.972 1.00 2.33 H new ATOM 0 HZ3 TRP A 86 20.633 10.040 -21.698 1.00 13.44 H new ATOM 0 HH2 TRP A 86 20.853 8.778 -23.800 1.00 14.23 H new ATOM 1391 N CYS A 87 17.422 9.784 -18.536 1.00 42.33 N ATOM 1392 CA CYS A 87 18.794 9.502 -18.127 1.00 75.32 C ATOM 1393 C CYS A 87 18.846 8.291 -17.201 1.00 0.21 C ATOM 1394 O CYS A 87 19.698 7.416 -17.355 1.00 63.11 O ATOM 1395 CB CYS A 87 19.401 10.720 -17.430 1.00 31.33 C ATOM 1396 SG CYS A 87 20.389 11.775 -18.515 1.00 42.41 S ATOM 0 H CYS A 87 17.076 10.699 -18.249 1.00 42.33 H new ATOM 0 HA CYS A 87 19.376 9.278 -19.021 1.00 75.32 H new ATOM 0 HB2 CYS A 87 18.597 11.315 -16.996 1.00 31.33 H new ATOM 0 HB3 CYS A 87 20.026 10.379 -16.605 1.00 31.33 H new ATOM 0 HG CYS A 87 19.949 12.996 -18.451 1.00 42.41 H new ATOM 1402 N ILE A 88 17.931 8.249 -16.238 1.00 40.24 N ATOM 1403 CA ILE A 88 17.874 7.146 -15.287 1.00 11.50 C ATOM 1404 C ILE A 88 17.665 5.815 -16.000 1.00 54.15 C ATOM 1405 O ILE A 88 18.254 4.800 -15.629 1.00 64.11 O ATOM 1406 CB ILE A 88 16.745 7.348 -14.259 1.00 21.03 C ATOM 1407 CG1 ILE A 88 16.974 8.635 -13.464 1.00 13.04 C ATOM 1408 CG2 ILE A 88 16.659 6.150 -13.325 1.00 4.02 C ATOM 1409 CD1 ILE A 88 15.722 9.165 -12.800 1.00 3.44 C ATOM 0 H ILE A 88 17.219 8.966 -16.096 1.00 40.24 H new ATOM 0 HA ILE A 88 18.831 7.129 -14.766 1.00 11.50 H new ATOM 0 HB ILE A 88 15.799 7.437 -14.793 1.00 21.03 H new ATOM 0 HG12 ILE A 88 17.731 8.452 -12.701 1.00 13.04 H new ATOM 0 HG13 ILE A 88 17.373 9.399 -14.131 1.00 13.04 H new ATOM 0 HG21 ILE A 88 15.857 6.307 -12.604 1.00 4.02 H new ATOM 0 HG22 ILE A 88 16.454 5.250 -13.905 1.00 4.02 H new ATOM 0 HG23 ILE A 88 17.605 6.033 -12.796 1.00 4.02 H new ATOM 0 HD11 ILE A 88 15.958 10.078 -12.254 1.00 3.44 H new ATOM 0 HD12 ILE A 88 14.971 9.380 -13.560 1.00 3.44 H new ATOM 0 HD13 ILE A 88 15.334 8.419 -12.107 1.00 3.44 H new ATOM 1421 N HIS A 89 16.822 5.827 -17.029 1.00 20.14 N ATOM 1422 CA HIS A 89 16.536 4.620 -17.798 1.00 11.44 C ATOM 1423 C HIS A 89 17.675 4.312 -18.765 1.00 73.45 C ATOM 1424 O HIS A 89 18.010 3.134 -18.887 1.00 34.30 O ATOM 1425 CB HIS A 89 15.225 4.780 -18.569 1.00 3.10 C ATOM 1426 CG HIS A 89 14.013 4.806 -17.690 1.00 34.21 C ATOM 1427 ND1 HIS A 89 13.900 4.053 -16.540 1.00 42.12 N ATOM 1428 CD2 HIS A 89 12.856 5.500 -17.797 1.00 51.32 C ATOM 1429 CE1 HIS A 89 12.727 4.283 -15.979 1.00 55.02 C ATOM 1430 NE2 HIS A 89 12.074 5.159 -16.722 1.00 72.43 N ATOM 0 H HIS A 89 16.326 6.659 -17.349 1.00 20.14 H new ATOM 0 HA HIS A 89 16.439 3.788 -17.101 1.00 11.44 H new ATOM 0 HB2 HIS A 89 15.264 5.703 -19.148 1.00 3.10 H new ATOM 0 HB3 HIS A 89 15.130 3.961 -19.281 1.00 3.10 H new ATOM 0 HD2 HIS A 89 12.596 6.194 -18.583 1.00 51.32 H new ATOM 0 HE1 HIS A 89 12.363 3.832 -15.068 1.00 55.02 H new ATOM 0 HE2 HIS A 89 11.141 5.523 -16.528 1.00 72.43 H new ATOM 1438 N ALA A 90 18.257 5.302 -19.433 1.00 41.12 N ATOM 1439 CA ALA A 90 19.349 5.056 -20.366 1.00 63.44 C ATOM 1440 C ALA A 90 20.613 4.623 -19.631 1.00 31.43 C ATOM 1441 O ALA A 90 21.623 4.298 -20.253 1.00 63.32 O ATOM 1442 CB ALA A 90 19.622 6.299 -21.200 1.00 73.23 C ATOM 0 H ALA A 90 17.990 6.283 -19.345 1.00 41.12 H new ATOM 0 HA ALA A 90 19.050 4.245 -21.030 1.00 63.44 H new ATOM 0 HB1 ALA A 90 20.440 6.100 -21.892 1.00 73.23 H new ATOM 0 HB2 ALA A 90 18.727 6.564 -21.763 1.00 73.23 H new ATOM 0 HB3 ALA A 90 19.895 7.125 -20.543 1.00 73.23 H new ATOM 1448 N GLU A 91 20.548 4.621 -18.303 1.00 1.51 N ATOM 1449 CA GLU A 91 21.689 4.230 -17.483 1.00 72.44 C ATOM 1450 C GLU A 91 22.809 5.261 -17.581 1.00 11.41 C ATOM 1451 O GLU A 91 23.977 4.910 -17.739 1.00 44.24 O ATOM 1452 CB GLU A 91 22.207 2.856 -17.915 1.00 30.02 C ATOM 1453 CG GLU A 91 21.110 1.820 -18.094 1.00 53.30 C ATOM 1454 CD GLU A 91 20.281 1.626 -16.839 1.00 73.43 C ATOM 1455 OE1 GLU A 91 20.861 1.263 -15.795 1.00 34.23 O ATOM 1456 OE2 GLU A 91 19.051 1.837 -16.903 1.00 23.43 O ATOM 0 H GLU A 91 19.718 4.886 -17.772 1.00 1.51 H new ATOM 0 HA GLU A 91 21.358 4.177 -16.446 1.00 72.44 H new ATOM 0 HB2 GLU A 91 22.752 2.961 -18.853 1.00 30.02 H new ATOM 0 HB3 GLU A 91 22.918 2.495 -17.172 1.00 30.02 H new ATOM 0 HG2 GLU A 91 20.458 2.125 -18.912 1.00 53.30 H new ATOM 0 HG3 GLU A 91 21.557 0.868 -18.380 1.00 53.30 H new ATOM 1463 N GLU A 92 22.442 6.536 -17.486 1.00 33.45 N ATOM 1464 CA GLU A 92 23.415 7.618 -17.564 1.00 42.35 C ATOM 1465 C GLU A 92 23.575 8.306 -16.212 1.00 22.14 C ATOM 1466 O GLU A 92 22.610 8.821 -15.646 1.00 25.33 O ATOM 1467 CB GLU A 92 22.990 8.640 -18.621 1.00 42.11 C ATOM 1468 CG GLU A 92 23.147 8.141 -20.048 1.00 0.42 C ATOM 1469 CD GLU A 92 24.431 8.622 -20.696 1.00 31.11 C ATOM 1470 OE1 GLU A 92 25.499 8.501 -20.060 1.00 14.22 O ATOM 1471 OE2 GLU A 92 24.367 9.119 -21.840 1.00 64.51 O ATOM 0 H GLU A 92 21.478 6.844 -17.355 1.00 33.45 H new ATOM 0 HA GLU A 92 24.375 7.188 -17.849 1.00 42.35 H new ATOM 0 HB2 GLU A 92 21.948 8.912 -18.453 1.00 42.11 H new ATOM 0 HB3 GLU A 92 23.581 9.547 -18.495 1.00 42.11 H new ATOM 0 HG2 GLU A 92 23.128 7.051 -20.052 1.00 0.42 H new ATOM 0 HG3 GLU A 92 22.297 8.476 -20.642 1.00 0.42 H new ATOM 1478 N LYS A 93 24.800 8.310 -15.698 1.00 25.22 N ATOM 1479 CA LYS A 93 25.090 8.934 -14.412 1.00 74.31 C ATOM 1480 C LYS A 93 25.042 10.454 -14.522 1.00 42.33 C ATOM 1481 O LYS A 93 25.740 11.049 -15.344 1.00 1.23 O ATOM 1482 CB LYS A 93 26.464 8.491 -13.905 1.00 11.14 C ATOM 1483 CG LYS A 93 26.632 8.633 -12.402 1.00 30.02 C ATOM 1484 CD LYS A 93 27.688 9.669 -12.054 1.00 62.41 C ATOM 1485 CE LYS A 93 27.849 9.817 -10.549 1.00 22.21 C ATOM 1486 NZ LYS A 93 29.258 10.113 -10.168 1.00 41.04 N ATOM 0 H LYS A 93 25.609 7.888 -16.153 1.00 25.22 H new ATOM 0 HA LYS A 93 24.328 8.615 -13.701 1.00 74.31 H new ATOM 0 HB2 LYS A 93 26.627 7.450 -14.184 1.00 11.14 H new ATOM 0 HB3 LYS A 93 27.234 9.079 -14.405 1.00 11.14 H new ATOM 0 HG2 LYS A 93 25.680 8.918 -11.954 1.00 30.02 H new ATOM 0 HG3 LYS A 93 26.911 7.670 -11.974 1.00 30.02 H new ATOM 0 HD2 LYS A 93 28.642 9.381 -12.496 1.00 62.41 H new ATOM 0 HD3 LYS A 93 27.413 10.630 -12.488 1.00 62.41 H new ATOM 0 HE2 LYS A 93 27.200 10.617 -10.191 1.00 22.21 H new ATOM 0 HE3 LYS A 93 27.525 8.900 -10.057 1.00 22.21 H new ATOM 0 HZ1 LYS A 93 29.271 10.655 -9.280 1.00 41.04 H new ATOM 0 HZ2 LYS A 93 29.777 9.221 -10.037 1.00 41.04 H new ATOM 0 HZ3 LYS A 93 29.711 10.670 -10.920 1.00 41.04 H new ATOM 1500 N VAL A 94 24.216 11.078 -13.689 1.00 13.22 N ATOM 1501 CA VAL A 94 24.080 12.530 -13.691 1.00 74.11 C ATOM 1502 C VAL A 94 24.098 13.086 -12.272 1.00 33.23 C ATOM 1503 O VAL A 94 23.414 12.575 -11.384 1.00 42.20 O ATOM 1504 CB VAL A 94 22.778 12.970 -14.387 1.00 11.43 C ATOM 1505 CG1 VAL A 94 22.779 12.538 -15.845 1.00 50.41 C ATOM 1506 CG2 VAL A 94 21.568 12.408 -13.656 1.00 54.35 C ATOM 0 H VAL A 94 23.630 10.601 -13.004 1.00 13.22 H new ATOM 0 HA VAL A 94 24.931 12.927 -14.244 1.00 74.11 H new ATOM 0 HB VAL A 94 22.720 14.058 -14.356 1.00 11.43 H new ATOM 0 HG11 VAL A 94 21.851 12.858 -16.320 1.00 50.41 H new ATOM 0 HG12 VAL A 94 23.625 12.994 -16.359 1.00 50.41 H new ATOM 0 HG13 VAL A 94 22.861 11.453 -15.903 1.00 50.41 H new ATOM 0 HG21 VAL A 94 20.657 12.728 -14.161 1.00 54.35 H new ATOM 0 HG22 VAL A 94 21.618 11.319 -13.654 1.00 54.35 H new ATOM 0 HG23 VAL A 94 21.561 12.773 -12.629 1.00 54.35 H new ATOM 1516 N LYS A 95 24.884 14.136 -12.064 1.00 3.23 N ATOM 1517 CA LYS A 95 24.992 14.765 -10.752 1.00 75.33 C ATOM 1518 C LYS A 95 23.766 15.623 -10.459 1.00 14.43 C ATOM 1519 O LYS A 95 23.209 15.573 -9.362 1.00 33.31 O ATOM 1520 CB LYS A 95 26.257 15.621 -10.676 1.00 44.25 C ATOM 1521 CG LYS A 95 27.511 14.827 -10.351 1.00 15.14 C ATOM 1522 CD LYS A 95 28.264 14.433 -11.610 1.00 20.22 C ATOM 1523 CE LYS A 95 29.521 13.642 -11.282 1.00 44.14 C ATOM 1524 NZ LYS A 95 30.526 14.472 -10.561 1.00 63.44 N ATOM 0 H LYS A 95 25.457 14.570 -12.788 1.00 3.23 H new ATOM 0 HA LYS A 95 25.050 13.976 -10.002 1.00 75.33 H new ATOM 0 HB2 LYS A 95 26.397 16.132 -11.629 1.00 44.25 H new ATOM 0 HB3 LYS A 95 26.119 16.392 -9.918 1.00 44.25 H new ATOM 0 HG2 LYS A 95 28.161 15.420 -9.708 1.00 15.14 H new ATOM 0 HG3 LYS A 95 27.241 13.931 -9.792 1.00 15.14 H new ATOM 0 HD2 LYS A 95 27.615 13.837 -12.252 1.00 20.22 H new ATOM 0 HD3 LYS A 95 28.532 15.329 -12.170 1.00 20.22 H new ATOM 0 HE2 LYS A 95 29.258 12.778 -10.671 1.00 44.14 H new ATOM 0 HE3 LYS A 95 29.960 13.259 -12.203 1.00 44.14 H new ATOM 0 HZ1 LYS A 95 31.432 13.963 -10.520 1.00 63.44 H new ATOM 0 HZ2 LYS A 95 30.658 15.373 -11.064 1.00 63.44 H new ATOM 0 HZ3 LYS A 95 30.191 14.661 -9.595 1.00 63.44 H new ATOM 1538 N ASP A 96 23.350 16.410 -11.445 1.00 72.23 N ATOM 1539 CA ASP A 96 22.188 17.278 -11.293 1.00 72.34 C ATOM 1540 C ASP A 96 21.434 17.413 -12.613 1.00 4.21 C ATOM 1541 O ASP A 96 21.793 16.790 -13.613 1.00 4.13 O ATOM 1542 CB ASP A 96 22.617 18.658 -10.793 1.00 23.31 C ATOM 1543 CG ASP A 96 23.620 19.322 -11.715 1.00 65.35 C ATOM 1544 OD1 ASP A 96 23.353 19.389 -12.934 1.00 20.33 O ATOM 1545 OD2 ASP A 96 24.673 19.775 -11.219 1.00 54.12 O ATOM 0 H ASP A 96 23.800 16.465 -12.359 1.00 72.23 H new ATOM 0 HA ASP A 96 21.521 16.826 -10.559 1.00 72.34 H new ATOM 0 HB2 ASP A 96 21.738 19.296 -10.697 1.00 23.31 H new ATOM 0 HB3 ASP A 96 23.051 18.562 -9.798 1.00 23.31 H new ATOM 1550 N THR A 97 20.386 18.231 -12.609 1.00 44.21 N ATOM 1551 CA THR A 97 19.581 18.447 -13.804 1.00 72.02 C ATOM 1552 C THR A 97 20.431 18.979 -14.952 1.00 3.31 C ATOM 1553 O THR A 97 20.397 18.446 -16.060 1.00 54.55 O ATOM 1554 CB THR A 97 18.428 19.433 -13.534 1.00 62.45 C ATOM 1555 OG1 THR A 97 17.638 18.972 -12.433 1.00 11.44 O ATOM 1556 CG2 THR A 97 17.549 19.587 -14.766 1.00 51.12 C ATOM 0 H THR A 97 20.075 18.755 -11.791 1.00 44.21 H new ATOM 0 HA THR A 97 19.164 17.479 -14.083 1.00 72.02 H new ATOM 0 HB THR A 97 18.859 20.404 -13.290 1.00 62.45 H new ATOM 0 HG1 THR A 97 17.722 19.599 -11.685 1.00 11.44 H new ATOM 0 HG21 THR A 97 16.742 20.288 -14.552 1.00 51.12 H new ATOM 0 HG22 THR A 97 18.147 19.965 -15.595 1.00 51.12 H new ATOM 0 HG23 THR A 97 17.127 18.619 -15.035 1.00 51.12 H new ATOM 1564 N GLU A 98 21.195 20.033 -14.678 1.00 34.43 N ATOM 1565 CA GLU A 98 22.054 20.636 -15.689 1.00 42.22 C ATOM 1566 C GLU A 98 22.897 19.575 -16.391 1.00 31.13 C ATOM 1567 O GLU A 98 23.153 19.663 -17.591 1.00 3.53 O ATOM 1568 CB GLU A 98 22.965 21.689 -15.054 1.00 62.21 C ATOM 1569 CG GLU A 98 22.352 23.078 -15.011 1.00 40.31 C ATOM 1570 CD GLU A 98 22.946 24.010 -16.049 1.00 42.51 C ATOM 1571 OE1 GLU A 98 23.331 23.523 -17.132 1.00 62.35 O ATOM 1572 OE2 GLU A 98 23.026 25.227 -15.779 1.00 25.25 O ATOM 0 H GLU A 98 21.236 20.486 -13.765 1.00 34.43 H new ATOM 0 HA GLU A 98 21.416 21.117 -16.430 1.00 42.22 H new ATOM 0 HB2 GLU A 98 23.212 21.379 -14.039 1.00 62.21 H new ATOM 0 HB3 GLU A 98 23.901 21.731 -15.611 1.00 62.21 H new ATOM 0 HG2 GLU A 98 21.276 23.001 -15.170 1.00 40.31 H new ATOM 0 HG3 GLU A 98 22.498 23.505 -14.019 1.00 40.31 H new ATOM 1579 N GLY A 99 23.326 18.571 -15.632 1.00 34.23 N ATOM 1580 CA GLY A 99 24.135 17.507 -16.197 1.00 3.25 C ATOM 1581 C GLY A 99 23.314 16.514 -16.994 1.00 54.34 C ATOM 1582 O GLY A 99 23.783 15.972 -17.995 1.00 14.33 O ATOM 0 H GLY A 99 23.128 18.476 -14.636 1.00 34.23 H new ATOM 0 HA2 GLY A 99 24.901 17.940 -16.841 1.00 3.25 H new ATOM 0 HA3 GLY A 99 24.653 16.983 -15.394 1.00 3.25 H new ATOM 1586 N ALA A 100 22.084 16.274 -16.551 1.00 2.05 N ATOM 1587 CA ALA A 100 21.196 15.340 -17.230 1.00 75.14 C ATOM 1588 C ALA A 100 20.806 15.858 -18.610 1.00 52.44 C ATOM 1589 O ALA A 100 20.662 15.085 -19.558 1.00 13.41 O ATOM 1590 CB ALA A 100 19.953 15.086 -16.389 1.00 41.45 C ATOM 0 H ALA A 100 21.680 16.714 -15.724 1.00 2.05 H new ATOM 0 HA ALA A 100 21.731 14.399 -17.361 1.00 75.14 H new ATOM 0 HB1 ALA A 100 19.299 14.386 -16.909 1.00 41.45 H new ATOM 0 HB2 ALA A 100 20.244 14.664 -15.427 1.00 41.45 H new ATOM 0 HB3 ALA A 100 19.425 16.026 -16.228 1.00 41.45 H new ATOM 1596 N LYS A 101 20.636 17.172 -18.717 1.00 73.25 N ATOM 1597 CA LYS A 101 20.263 17.795 -19.982 1.00 11.01 C ATOM 1598 C LYS A 101 21.412 17.726 -20.982 1.00 63.23 C ATOM 1599 O LYS A 101 21.226 17.316 -22.127 1.00 74.25 O ATOM 1600 CB LYS A 101 19.857 19.253 -19.755 1.00 41.14 C ATOM 1601 CG LYS A 101 18.389 19.429 -19.406 1.00 63.34 C ATOM 1602 CD LYS A 101 18.178 20.593 -18.453 1.00 41.24 C ATOM 1603 CE LYS A 101 18.139 21.920 -19.195 1.00 53.42 C ATOM 1604 NZ LYS A 101 19.499 22.501 -19.366 1.00 64.25 N ATOM 0 H LYS A 101 20.751 17.826 -17.943 1.00 73.25 H new ATOM 0 HA LYS A 101 19.415 17.247 -20.392 1.00 11.01 H new ATOM 0 HB2 LYS A 101 20.465 19.670 -18.952 1.00 41.14 H new ATOM 0 HB3 LYS A 101 20.079 19.827 -20.654 1.00 41.14 H new ATOM 0 HG2 LYS A 101 17.815 19.595 -20.317 1.00 63.34 H new ATOM 0 HG3 LYS A 101 18.010 18.513 -18.953 1.00 63.34 H new ATOM 0 HD2 LYS A 101 17.245 20.453 -17.907 1.00 41.24 H new ATOM 0 HD3 LYS A 101 18.980 20.611 -17.715 1.00 41.24 H new ATOM 0 HE2 LYS A 101 17.680 21.776 -20.173 1.00 53.42 H new ATOM 0 HE3 LYS A 101 17.510 22.623 -18.649 1.00 53.42 H new ATOM 0 HZ1 LYS A 101 19.545 23.423 -18.888 1.00 64.25 H new ATOM 0 HZ2 LYS A 101 20.205 21.860 -18.951 1.00 64.25 H new ATOM 0 HZ3 LYS A 101 19.698 22.626 -20.379 1.00 64.25 H new ATOM 1618 N GLN A 102 22.600 18.128 -20.541 1.00 71.21 N ATOM 1619 CA GLN A 102 23.779 18.110 -21.399 1.00 31.02 C ATOM 1620 C GLN A 102 23.963 16.740 -22.043 1.00 55.14 C ATOM 1621 O GLN A 102 24.284 16.639 -23.228 1.00 33.11 O ATOM 1622 CB GLN A 102 25.026 18.480 -20.594 1.00 64.43 C ATOM 1623 CG GLN A 102 26.319 18.359 -21.386 1.00 34.01 C ATOM 1624 CD GLN A 102 27.509 18.944 -20.652 1.00 41.33 C ATOM 1625 OE1 GLN A 102 27.411 20.002 -20.030 1.00 52.54 O ATOM 1626 NE2 GLN A 102 28.643 18.257 -20.721 1.00 44.20 N ATOM 0 H GLN A 102 22.771 18.470 -19.595 1.00 71.21 H new ATOM 0 HA GLN A 102 23.634 18.846 -22.190 1.00 31.02 H new ATOM 0 HB2 GLN A 102 24.925 19.504 -20.233 1.00 64.43 H new ATOM 0 HB3 GLN A 102 25.086 17.837 -19.716 1.00 64.43 H new ATOM 0 HG2 GLN A 102 26.511 17.308 -21.603 1.00 34.01 H new ATOM 0 HG3 GLN A 102 26.203 18.866 -22.344 1.00 34.01 H new ATOM 0 HE21 GLN A 102 28.679 17.384 -21.248 1.00 44.20 H new ATOM 0 HE22 GLN A 102 29.478 18.602 -20.247 1.00 44.20 H new ATOM 1635 N ILE A 103 23.757 15.689 -21.257 1.00 1.23 N ATOM 1636 CA ILE A 103 23.899 14.326 -21.752 1.00 24.44 C ATOM 1637 C ILE A 103 22.825 14.000 -22.784 1.00 11.44 C ATOM 1638 O ILE A 103 23.098 13.361 -23.799 1.00 72.35 O ATOM 1639 CB ILE A 103 23.822 13.300 -20.606 1.00 33.35 C ATOM 1640 CG1 ILE A 103 24.974 13.514 -19.622 1.00 33.45 C ATOM 1641 CG2 ILE A 103 23.848 11.883 -21.160 1.00 14.20 C ATOM 1642 CD1 ILE A 103 24.865 12.670 -18.371 1.00 34.31 C ATOM 0 H ILE A 103 23.491 15.755 -20.275 1.00 1.23 H new ATOM 0 HA ILE A 103 24.881 14.262 -22.221 1.00 24.44 H new ATOM 0 HB ILE A 103 22.882 13.443 -20.073 1.00 33.35 H new ATOM 0 HG12 ILE A 103 25.915 13.287 -20.122 1.00 33.45 H new ATOM 0 HG13 ILE A 103 25.009 14.566 -19.339 1.00 33.45 H new ATOM 0 HG21 ILE A 103 23.793 11.170 -20.338 1.00 14.20 H new ATOM 0 HG22 ILE A 103 22.997 11.737 -21.825 1.00 14.20 H new ATOM 0 HG23 ILE A 103 24.773 11.726 -21.715 1.00 14.20 H new ATOM 0 HD11 ILE A 103 25.715 12.874 -17.720 1.00 34.31 H new ATOM 0 HD12 ILE A 103 23.940 12.913 -17.848 1.00 34.31 H new ATOM 0 HD13 ILE A 103 24.861 11.615 -18.643 1.00 34.31 H new ATOM 1654 N VAL A 104 21.602 14.447 -22.517 1.00 74.01 N ATOM 1655 CA VAL A 104 20.485 14.206 -23.424 1.00 5.41 C ATOM 1656 C VAL A 104 20.708 14.897 -24.765 1.00 22.32 C ATOM 1657 O VAL A 104 20.790 14.243 -25.805 1.00 13.11 O ATOM 1658 CB VAL A 104 19.156 14.698 -22.821 1.00 22.35 C ATOM 1659 CG1 VAL A 104 18.020 14.522 -23.817 1.00 2.22 C ATOM 1660 CG2 VAL A 104 18.857 13.962 -21.523 1.00 14.41 C ATOM 0 H VAL A 104 21.359 14.978 -21.680 1.00 74.01 H new ATOM 0 HA VAL A 104 20.429 13.128 -23.578 1.00 5.41 H new ATOM 0 HB VAL A 104 19.249 15.761 -22.597 1.00 22.35 H new ATOM 0 HG11 VAL A 104 17.089 14.875 -23.373 1.00 2.22 H new ATOM 0 HG12 VAL A 104 18.234 15.097 -24.718 1.00 2.22 H new ATOM 0 HG13 VAL A 104 17.922 13.467 -24.075 1.00 2.22 H new ATOM 0 HG21 VAL A 104 17.915 14.321 -21.110 1.00 14.41 H new ATOM 0 HG22 VAL A 104 18.783 12.893 -21.720 1.00 14.41 H new ATOM 0 HG23 VAL A 104 19.660 14.144 -20.808 1.00 14.41 H new ATOM 1670 N ARG A 105 20.806 16.222 -24.733 1.00 23.41 N ATOM 1671 CA ARG A 105 21.019 17.001 -25.946 1.00 41.43 C ATOM 1672 C ARG A 105 22.221 16.476 -26.726 1.00 51.32 C ATOM 1673 O ARG A 105 22.201 16.426 -27.956 1.00 62.31 O ATOM 1674 CB ARG A 105 21.228 18.477 -25.600 1.00 35.22 C ATOM 1675 CG ARG A 105 21.577 19.341 -26.800 1.00 61.25 C ATOM 1676 CD ARG A 105 21.102 20.773 -26.613 1.00 53.14 C ATOM 1677 NE ARG A 105 21.993 21.734 -27.257 1.00 41.24 N ATOM 1678 CZ ARG A 105 21.715 23.028 -27.378 1.00 63.53 C ATOM 1679 NH1 ARG A 105 20.577 23.512 -26.901 1.00 22.00 N ATOM 1680 NH2 ARG A 105 22.577 23.839 -27.977 1.00 43.32 N ATOM 0 H ARG A 105 20.741 16.778 -23.880 1.00 23.41 H new ATOM 0 HA ARG A 105 20.131 16.903 -26.571 1.00 41.43 H new ATOM 0 HB2 ARG A 105 20.321 18.864 -25.136 1.00 35.22 H new ATOM 0 HB3 ARG A 105 22.025 18.559 -24.860 1.00 35.22 H new ATOM 0 HG2 ARG A 105 22.656 19.332 -26.955 1.00 61.25 H new ATOM 0 HG3 ARG A 105 21.123 18.920 -27.697 1.00 61.25 H new ATOM 0 HD2 ARG A 105 20.098 20.878 -27.024 1.00 53.14 H new ATOM 0 HD3 ARG A 105 21.036 20.997 -25.548 1.00 53.14 H new ATOM 0 HE ARG A 105 22.877 21.394 -27.635 1.00 41.24 H new ATOM 0 HH11 ARG A 105 19.912 22.891 -26.440 1.00 22.00 H new ATOM 0 HH12 ARG A 105 20.366 24.506 -26.995 1.00 22.00 H new ATOM 0 HH21 ARG A 105 23.454 23.470 -28.345 1.00 43.32 H new ATOM 0 HH22 ARG A 105 22.363 24.832 -28.070 1.00 43.32 H new ATOM 1694 N ARG A 106 23.265 16.087 -26.002 1.00 44.34 N ATOM 1695 CA ARG A 106 24.476 15.568 -26.626 1.00 64.13 C ATOM 1696 C ARG A 106 24.145 14.447 -27.607 1.00 71.10 C ATOM 1697 O ARG A 106 24.684 14.396 -28.713 1.00 21.40 O ATOM 1698 CB ARG A 106 25.446 15.056 -25.559 1.00 42.44 C ATOM 1699 CG ARG A 106 26.623 15.986 -25.310 1.00 71.42 C ATOM 1700 CD ARG A 106 27.807 15.636 -26.199 1.00 15.23 C ATOM 1701 NE ARG A 106 28.693 14.660 -25.571 1.00 33.30 N ATOM 1702 CZ ARG A 106 29.554 13.908 -26.247 1.00 61.30 C ATOM 1703 NH1 ARG A 106 29.645 14.020 -27.565 1.00 21.10 N ATOM 1704 NH2 ARG A 106 30.327 13.041 -25.604 1.00 41.55 N ATOM 0 H ARG A 106 23.297 16.121 -24.983 1.00 44.34 H new ATOM 0 HA ARG A 106 24.948 16.382 -27.176 1.00 64.13 H new ATOM 0 HB2 ARG A 106 24.903 14.913 -24.625 1.00 42.44 H new ATOM 0 HB3 ARG A 106 25.823 14.079 -25.861 1.00 42.44 H new ATOM 0 HG2 ARG A 106 26.320 17.016 -25.495 1.00 71.42 H new ATOM 0 HG3 ARG A 106 26.922 15.925 -24.263 1.00 71.42 H new ATOM 0 HD2 ARG A 106 27.444 15.239 -27.147 1.00 15.23 H new ATOM 0 HD3 ARG A 106 28.369 16.542 -26.427 1.00 15.23 H new ATOM 0 HE ARG A 106 28.648 14.550 -24.558 1.00 33.30 H new ATOM 0 HH11 ARG A 106 29.053 14.685 -28.062 1.00 21.10 H new ATOM 0 HH12 ARG A 106 30.307 13.441 -28.082 1.00 21.10 H new ATOM 0 HH21 ARG A 106 30.260 12.952 -24.590 1.00 41.55 H new ATOM 0 HH22 ARG A 106 30.988 12.464 -26.124 1.00 41.55 H new ATOM 1718 N HIS A 107 23.255 13.550 -27.194 1.00 53.20 N ATOM 1719 CA HIS A 107 22.851 12.429 -28.036 1.00 15.12 C ATOM 1720 C HIS A 107 22.050 12.916 -29.240 1.00 51.42 C ATOM 1721 O HIS A 107 22.067 12.216 -30.253 1.00 61.40 O ATOM 1722 CB HIS A 107 22.021 11.430 -27.228 1.00 50.14 C ATOM 1723 CG HIS A 107 22.847 10.520 -26.372 1.00 41.00 C ATOM 1724 ND1 HIS A 107 23.732 9.598 -26.889 1.00 71.41 N ATOM 1725 CD2 HIS A 107 22.920 10.395 -25.026 1.00 51.03 C ATOM 1726 CE1 HIS A 107 24.312 8.944 -25.898 1.00 42.33 C ATOM 1727 NE2 HIS A 107 23.837 9.410 -24.757 1.00 42.11 N ATOM 0 H HIS A 107 22.800 13.577 -26.282 1.00 53.20 H new ATOM 0 HA HIS A 107 23.753 11.934 -28.397 1.00 15.12 H new ATOM 0 HB2 HIS A 107 21.324 11.978 -26.594 1.00 50.14 H new ATOM 0 HB3 HIS A 107 21.424 10.828 -27.913 1.00 50.14 H new ATOM 0 HD2 HIS A 107 22.360 10.965 -24.299 1.00 51.03 H new ATOM 0 HE1 HIS A 107 25.049 8.162 -26.003 1.00 42.33 H new ATOM 0 HE2 HIS A 107 24.108 9.090 -23.827 1.00 42.11 H new ATOM 1735 N LEU A 108 21.373 14.057 -29.162 1.00 21.23 N ATOM 1736 CA LEU A 108 20.594 14.563 -30.286 1.00 72.13 C ATOM 1737 C LEU A 108 21.479 15.336 -31.258 1.00 41.51 C ATOM 1738 O LEU A 108 21.453 15.095 -32.465 1.00 11.20 O ATOM 1739 CB LEU A 108 19.462 15.461 -29.785 1.00 34.14 C ATOM 1740 CG LEU A 108 18.612 14.897 -28.645 1.00 24.21 C ATOM 1741 CD1 LEU A 108 17.943 16.022 -27.871 1.00 75.31 C ATOM 1742 CD2 LEU A 108 17.573 13.925 -29.185 1.00 11.44 C ATOM 0 H LEU A 108 21.348 14.649 -28.332 1.00 21.23 H new ATOM 0 HA LEU A 108 20.166 13.710 -30.813 1.00 72.13 H new ATOM 0 HB2 LEU A 108 19.894 16.406 -29.456 1.00 34.14 H new ATOM 0 HB3 LEU A 108 18.805 15.686 -30.625 1.00 34.14 H new ATOM 0 HG LEU A 108 19.267 14.355 -27.963 1.00 24.21 H new ATOM 0 HD11 LEU A 108 17.343 15.602 -27.064 1.00 75.31 H new ATOM 0 HD12 LEU A 108 18.705 16.679 -27.452 1.00 75.31 H new ATOM 0 HD13 LEU A 108 17.301 16.593 -28.541 1.00 75.31 H new ATOM 0 HD21 LEU A 108 16.978 13.534 -28.360 1.00 11.44 H new ATOM 0 HD22 LEU A 108 16.922 14.443 -29.889 1.00 11.44 H new ATOM 0 HD23 LEU A 108 18.075 13.101 -29.693 1.00 11.44 H new