USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=14 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 72 SER OG : rot 121:sc= 0.899 USER MOD Set 1.2: A 74 ASN : amide:sc= 1.01 K(o=1.9,f=-4.3!) USER MOD Set 2.1: A 29 TYR OH : rot -22:sc= 1.23 USER MOD Set 2.2: A 97 THR OG1 : rot 128:sc= 2.28 USER MOD Set 3.1: A 12 LYS NZ :NH3+ -164:sc= 1.11 (180deg=0) USER MOD Set 3.2: A 89 HIS : no HD1:sc= 0.384 K(o=1.5,f=-8.2!) 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+ -144:sc= 0.523 (180deg=-0.431) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.238 K(o=-0.24,f=-6.1!) USER MOD Single : A 39 ASN : amide:sc= -1.85 K(o=-1.9,f=-2.9) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -85:sc= 0.425 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -140:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -90:sc= -0.134 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 80 ASN :FLIP amide:sc= -0.355 F(o=-0.98,f=-0.36) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 120:sc= -1.95 USER MOD Single : A 87 CYS SG : rot 150:sc= -0.155 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0.499 K(o=0.5,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 7 7.113 2.780 -13.188 1.00 32.40 N ATOM 68 CA VAL A 7 8.022 3.751 -13.788 1.00 72.21 C ATOM 69 C VAL A 7 9.442 3.571 -13.262 1.00 34.11 C ATOM 70 O VAL A 7 10.399 3.521 -14.034 1.00 25.25 O ATOM 71 CB VAL A 7 7.563 5.195 -13.512 1.00 42.23 C ATOM 72 CG1 VAL A 7 8.392 6.182 -14.318 1.00 33.34 C ATOM 73 CG2 VAL A 7 6.082 5.351 -13.822 1.00 52.21 C ATOM 0 HA VAL A 7 8.010 3.574 -14.863 1.00 72.21 H new ATOM 0 HB VAL A 7 7.714 5.410 -12.454 1.00 42.23 H new ATOM 0 HG11 VAL A 7 8.053 7.197 -14.110 1.00 33.34 H new ATOM 0 HG12 VAL A 7 9.442 6.086 -14.042 1.00 33.34 H new ATOM 0 HG13 VAL A 7 8.276 5.972 -15.381 1.00 33.34 H new ATOM 0 HG21 VAL A 7 5.774 6.377 -13.621 1.00 52.21 H new ATOM 0 HG22 VAL A 7 5.903 5.117 -14.872 1.00 52.21 H new ATOM 0 HG23 VAL A 7 5.505 4.670 -13.195 1.00 52.21 H new ATOM 83 N LEU A 8 9.570 3.475 -11.944 1.00 44.23 N ATOM 84 CA LEU A 8 10.875 3.300 -11.314 1.00 53.42 C ATOM 85 C LEU A 8 10.846 2.148 -10.314 1.00 75.25 C ATOM 86 O LEU A 8 10.019 2.126 -9.400 1.00 30.25 O ATOM 87 CB LEU A 8 11.301 4.590 -10.611 1.00 75.31 C ATOM 88 CG LEU A 8 11.592 5.785 -11.520 1.00 15.42 C ATOM 89 CD1 LEU A 8 12.132 6.953 -10.710 1.00 22.33 C ATOM 90 CD2 LEU A 8 12.573 5.394 -12.616 1.00 75.32 C ATOM 0 H LEU A 8 8.788 3.515 -11.291 1.00 44.23 H new ATOM 0 HA LEU A 8 11.599 3.063 -12.094 1.00 53.42 H new ATOM 0 HB2 LEU A 8 10.516 4.875 -9.910 1.00 75.31 H new ATOM 0 HB3 LEU A 8 12.194 4.381 -10.022 1.00 75.31 H new ATOM 0 HG LEU A 8 10.659 6.096 -11.989 1.00 15.42 H new ATOM 0 HD11 LEU A 8 12.333 7.794 -11.374 1.00 22.33 H new ATOM 0 HD12 LEU A 8 11.396 7.249 -9.963 1.00 22.33 H new ATOM 0 HD13 LEU A 8 13.055 6.655 -10.212 1.00 22.33 H new ATOM 0 HD21 LEU A 8 12.769 6.256 -13.254 1.00 75.32 H new ATOM 0 HD22 LEU A 8 13.506 5.056 -12.165 1.00 75.32 H new ATOM 0 HD23 LEU A 8 12.147 4.589 -13.215 1.00 75.32 H new ATOM 102 N ARG A 9 11.754 1.195 -10.490 1.00 62.42 N ATOM 103 CA ARG A 9 11.834 0.042 -9.603 1.00 43.25 C ATOM 104 C ARG A 9 12.583 0.393 -8.320 1.00 41.43 C ATOM 105 O ARG A 9 12.857 1.561 -8.049 1.00 30.02 O ATOM 106 CB ARG A 9 12.528 -1.124 -10.308 1.00 42.00 C ATOM 107 CG ARG A 9 14.002 -0.878 -10.588 1.00 74.31 C ATOM 108 CD ARG A 9 14.434 -1.517 -11.898 1.00 43.31 C ATOM 109 NE ARG A 9 14.414 -2.976 -11.828 1.00 75.25 N ATOM 110 CZ ARG A 9 14.983 -3.763 -12.733 1.00 40.11 C ATOM 111 NH1 ARG A 9 15.616 -3.235 -13.772 1.00 53.13 N ATOM 112 NH2 ARG A 9 14.921 -5.082 -12.600 1.00 65.51 N ATOM 0 H ARG A 9 12.445 1.199 -11.240 1.00 62.42 H new ATOM 0 HA ARG A 9 10.818 -0.254 -9.341 1.00 43.25 H new ATOM 0 HB2 ARG A 9 12.428 -2.019 -9.695 1.00 42.00 H new ATOM 0 HB3 ARG A 9 12.017 -1.324 -11.250 1.00 42.00 H new ATOM 0 HG2 ARG A 9 14.192 0.195 -10.625 1.00 74.31 H new ATOM 0 HG3 ARG A 9 14.601 -1.280 -9.771 1.00 74.31 H new ATOM 0 HD2 ARG A 9 13.774 -1.183 -12.699 1.00 43.31 H new ATOM 0 HD3 ARG A 9 15.439 -1.180 -12.152 1.00 43.31 H new ATOM 0 HE ARG A 9 13.937 -3.414 -11.040 1.00 75.25 H new ATOM 0 HH11 ARG A 9 15.667 -2.222 -13.877 1.00 53.13 H new ATOM 0 HH12 ARG A 9 16.052 -3.842 -14.466 1.00 53.13 H new ATOM 0 HH21 ARG A 9 14.436 -5.492 -11.802 1.00 65.51 H new ATOM 0 HH22 ARG A 9 15.359 -5.686 -13.296 1.00 65.51 H new ATOM 126 N GLY A 10 12.911 -0.628 -7.533 1.00 24.23 N ATOM 127 CA GLY A 10 13.625 -0.407 -6.289 1.00 53.20 C ATOM 128 C GLY A 10 15.028 0.119 -6.511 1.00 20.13 C ATOM 129 O GLY A 10 15.471 1.039 -5.825 1.00 73.34 O ATOM 0 H GLY A 10 12.695 -1.604 -7.735 1.00 24.23 H new ATOM 0 HA2 GLY A 10 13.068 0.301 -5.675 1.00 53.20 H new ATOM 0 HA3 GLY A 10 13.675 -1.342 -5.731 1.00 53.20 H new ATOM 133 N LYS A 11 15.733 -0.468 -7.474 1.00 73.15 N ATOM 134 CA LYS A 11 17.096 -0.053 -7.786 1.00 53.13 C ATOM 135 C LYS A 11 17.104 1.286 -8.517 1.00 51.34 C ATOM 136 O LYS A 11 18.086 2.027 -8.466 1.00 45.30 O ATOM 137 CB LYS A 11 17.791 -1.117 -8.639 1.00 52.21 C ATOM 138 CG LYS A 11 19.302 -0.971 -8.681 1.00 73.02 C ATOM 139 CD LYS A 11 19.958 -1.616 -7.473 1.00 60.14 C ATOM 140 CE LYS A 11 21.429 -1.240 -7.369 1.00 43.21 C ATOM 141 NZ LYS A 11 22.094 -1.911 -6.218 1.00 55.01 N ATOM 0 H LYS A 11 15.383 -1.232 -8.051 1.00 73.15 H new ATOM 0 HA LYS A 11 17.638 0.063 -6.848 1.00 53.13 H new ATOM 0 HB2 LYS A 11 17.540 -2.104 -8.249 1.00 52.21 H new ATOM 0 HB3 LYS A 11 17.401 -1.067 -9.656 1.00 52.21 H new ATOM 0 HG2 LYS A 11 19.687 -1.428 -9.593 1.00 73.02 H new ATOM 0 HG3 LYS A 11 19.565 0.086 -8.718 1.00 73.02 H new ATOM 0 HD2 LYS A 11 19.437 -1.307 -6.567 1.00 60.14 H new ATOM 0 HD3 LYS A 11 19.862 -2.700 -7.541 1.00 60.14 H new ATOM 0 HE2 LYS A 11 21.940 -1.513 -8.293 1.00 43.21 H new ATOM 0 HE3 LYS A 11 21.521 -0.159 -7.261 1.00 43.21 H new ATOM 0 HZ1 LYS A 11 23.094 -1.629 -6.182 1.00 55.01 H new ATOM 0 HZ2 LYS A 11 21.623 -1.631 -5.334 1.00 55.01 H new ATOM 0 HZ3 LYS A 11 22.029 -2.943 -6.333 1.00 55.01 H new ATOM 155 N LYS A 12 16.003 1.591 -9.194 1.00 1.45 N ATOM 156 CA LYS A 12 15.882 2.841 -9.934 1.00 13.04 C ATOM 157 C LYS A 12 15.485 3.985 -9.006 1.00 32.04 C ATOM 158 O LYS A 12 15.990 5.101 -9.130 1.00 10.31 O ATOM 159 CB LYS A 12 14.849 2.698 -11.054 1.00 2.32 C ATOM 160 CG LYS A 12 15.341 1.875 -12.233 1.00 40.21 C ATOM 161 CD LYS A 12 14.292 1.786 -13.328 1.00 52.42 C ATOM 162 CE LYS A 12 14.739 0.870 -14.456 1.00 3.11 C ATOM 163 NZ LYS A 12 15.299 1.635 -15.604 1.00 61.51 N ATOM 0 H LYS A 12 15.181 0.989 -9.246 1.00 1.45 H new ATOM 0 HA LYS A 12 16.854 3.070 -10.372 1.00 13.04 H new ATOM 0 HB2 LYS A 12 13.948 2.236 -10.650 1.00 2.32 H new ATOM 0 HB3 LYS A 12 14.568 3.690 -11.406 1.00 2.32 H new ATOM 0 HG2 LYS A 12 16.251 2.321 -12.635 1.00 40.21 H new ATOM 0 HG3 LYS A 12 15.601 0.872 -11.894 1.00 40.21 H new ATOM 0 HD2 LYS A 12 13.356 1.417 -12.908 1.00 52.42 H new ATOM 0 HD3 LYS A 12 14.093 2.782 -13.724 1.00 52.42 H new ATOM 0 HE2 LYS A 12 15.490 0.174 -14.082 1.00 3.11 H new ATOM 0 HE3 LYS A 12 13.893 0.273 -14.796 1.00 3.11 H new ATOM 0 HZ1 LYS A 12 15.339 1.022 -16.443 1.00 61.51 H new ATOM 0 HZ2 LYS A 12 14.692 2.456 -15.804 1.00 61.51 H new ATOM 0 HZ3 LYS A 12 16.258 1.963 -15.368 1.00 61.51 H new ATOM 177 N ALA A 13 14.578 3.701 -8.078 1.00 43.02 N ATOM 178 CA ALA A 13 14.116 4.704 -7.127 1.00 72.20 C ATOM 179 C ALA A 13 15.292 5.398 -6.447 1.00 1.10 C ATOM 180 O ALA A 13 15.240 6.595 -6.163 1.00 53.35 O ATOM 181 CB ALA A 13 13.204 4.069 -6.090 1.00 51.11 C ATOM 0 H ALA A 13 14.148 2.783 -7.964 1.00 43.02 H new ATOM 0 HA ALA A 13 13.552 5.457 -7.677 1.00 72.20 H new ATOM 0 HB1 ALA A 13 12.867 4.831 -5.387 1.00 51.11 H new ATOM 0 HB2 ALA A 13 12.341 3.627 -6.587 1.00 51.11 H new ATOM 0 HB3 ALA A 13 13.749 3.294 -5.552 1.00 51.11 H new ATOM 187 N ASP A 14 16.351 4.639 -6.187 1.00 14.11 N ATOM 188 CA ASP A 14 17.540 5.180 -5.540 1.00 20.54 C ATOM 189 C ASP A 14 18.144 6.309 -6.369 1.00 15.24 C ATOM 190 O ASP A 14 18.294 7.432 -5.889 1.00 35.05 O ATOM 191 CB ASP A 14 18.578 4.077 -5.326 1.00 34.43 C ATOM 192 CG ASP A 14 19.237 4.160 -3.963 1.00 23.14 C ATOM 193 OD1 ASP A 14 18.574 3.820 -2.961 1.00 72.01 O ATOM 194 OD2 ASP A 14 20.417 4.563 -3.900 1.00 73.33 O ATOM 0 H ASP A 14 16.410 3.646 -6.415 1.00 14.11 H new ATOM 0 HA ASP A 14 17.244 5.582 -4.571 1.00 20.54 H new ATOM 0 HB2 ASP A 14 18.099 3.104 -5.436 1.00 34.43 H new ATOM 0 HB3 ASP A 14 19.342 4.145 -6.101 1.00 34.43 H new ATOM 199 N GLU A 15 18.488 6.002 -7.616 1.00 21.35 N ATOM 200 CA GLU A 15 19.077 6.991 -8.511 1.00 22.13 C ATOM 201 C GLU A 15 18.247 8.272 -8.529 1.00 0.45 C ATOM 202 O GLU A 15 18.787 9.374 -8.626 1.00 63.35 O ATOM 203 CB GLU A 15 19.192 6.425 -9.928 1.00 31.12 C ATOM 204 CG GLU A 15 20.602 6.477 -10.492 1.00 24.20 C ATOM 205 CD GLU A 15 20.988 5.201 -11.215 1.00 22.21 C ATOM 206 OE1 GLU A 15 21.182 4.171 -10.536 1.00 23.21 O ATOM 207 OE2 GLU A 15 21.096 5.232 -12.458 1.00 60.32 O ATOM 0 H GLU A 15 18.369 5.077 -8.029 1.00 21.35 H new ATOM 0 HA GLU A 15 20.074 7.230 -8.141 1.00 22.13 H new ATOM 0 HB2 GLU A 15 18.849 5.391 -9.926 1.00 31.12 H new ATOM 0 HB3 GLU A 15 18.525 6.981 -10.587 1.00 31.12 H new ATOM 0 HG2 GLU A 15 20.684 7.319 -11.180 1.00 24.20 H new ATOM 0 HG3 GLU A 15 21.307 6.658 -9.681 1.00 24.20 H new ATOM 214 N LEU A 16 16.931 8.118 -8.436 1.00 54.33 N ATOM 215 CA LEU A 16 16.024 9.260 -8.442 1.00 61.43 C ATOM 216 C LEU A 16 16.317 10.193 -7.270 1.00 22.24 C ATOM 217 O LEU A 16 16.547 11.388 -7.459 1.00 14.41 O ATOM 218 CB LEU A 16 14.572 8.785 -8.379 1.00 21.42 C ATOM 219 CG LEU A 16 13.509 9.824 -8.738 1.00 21.32 C ATOM 220 CD1 LEU A 16 13.378 10.859 -7.632 1.00 60.20 C ATOM 221 CD2 LEU A 16 13.847 10.496 -10.061 1.00 22.05 C ATOM 0 H LEU A 16 16.468 7.213 -8.355 1.00 54.33 H new ATOM 0 HA LEU A 16 16.179 9.811 -9.370 1.00 61.43 H new ATOM 0 HB2 LEU A 16 14.460 7.933 -9.050 1.00 21.42 H new ATOM 0 HB3 LEU A 16 14.372 8.424 -7.370 1.00 21.42 H new ATOM 0 HG LEU A 16 12.552 9.314 -8.845 1.00 21.32 H new ATOM 0 HD11 LEU A 16 12.617 11.590 -7.906 1.00 60.20 H new ATOM 0 HD12 LEU A 16 13.090 10.365 -6.704 1.00 60.20 H new ATOM 0 HD13 LEU A 16 14.333 11.365 -7.492 1.00 60.20 H new ATOM 0 HD21 LEU A 16 13.080 11.232 -10.301 1.00 22.05 H new ATOM 0 HD22 LEU A 16 14.814 10.992 -9.980 1.00 22.05 H new ATOM 0 HD23 LEU A 16 13.889 9.745 -10.850 1.00 22.05 H new ATOM 233 N GLU A 17 16.309 9.639 -6.063 1.00 51.44 N ATOM 234 CA GLU A 17 16.575 10.422 -4.861 1.00 12.41 C ATOM 235 C GLU A 17 18.039 10.850 -4.804 1.00 74.21 C ATOM 236 O GLU A 17 18.407 11.738 -4.035 1.00 51.12 O ATOM 237 CB GLU A 17 16.219 9.616 -3.611 1.00 50.33 C ATOM 238 CG GLU A 17 14.724 9.516 -3.356 1.00 61.44 C ATOM 239 CD GLU A 17 14.317 8.168 -2.793 1.00 41.03 C ATOM 240 OE1 GLU A 17 14.746 7.842 -1.666 1.00 60.00 O ATOM 241 OE2 GLU A 17 13.570 7.440 -3.479 1.00 0.31 O ATOM 0 H GLU A 17 16.121 8.651 -5.890 1.00 51.44 H new ATOM 0 HA GLU A 17 15.954 11.317 -4.896 1.00 12.41 H new ATOM 0 HB2 GLU A 17 16.631 8.611 -3.707 1.00 50.33 H new ATOM 0 HB3 GLU A 17 16.697 10.074 -2.745 1.00 50.33 H new ATOM 0 HG2 GLU A 17 14.424 10.301 -2.662 1.00 61.44 H new ATOM 0 HG3 GLU A 17 14.188 9.693 -4.288 1.00 61.44 H new ATOM 248 N ARG A 18 18.868 10.211 -5.623 1.00 34.44 N ATOM 249 CA ARG A 18 20.291 10.524 -5.665 1.00 61.05 C ATOM 250 C ARG A 18 20.549 11.770 -6.507 1.00 64.43 C ATOM 251 O ARG A 18 21.422 12.578 -6.186 1.00 11.03 O ATOM 252 CB ARG A 18 21.079 9.341 -6.230 1.00 21.24 C ATOM 253 CG ARG A 18 22.585 9.538 -6.192 1.00 62.21 C ATOM 254 CD ARG A 18 23.306 8.491 -7.026 1.00 44.44 C ATOM 255 NE ARG A 18 24.685 8.295 -6.588 1.00 30.12 N ATOM 256 CZ ARG A 18 25.550 7.502 -7.212 1.00 54.04 C ATOM 257 NH1 ARG A 18 25.178 6.832 -8.294 1.00 31.45 N ATOM 258 NH2 ARG A 18 26.788 7.377 -6.752 1.00 0.31 N ATOM 0 H ARG A 18 18.579 9.474 -6.266 1.00 34.44 H new ATOM 0 HA ARG A 18 20.624 10.720 -4.646 1.00 61.05 H new ATOM 0 HB2 ARG A 18 20.824 8.443 -5.666 1.00 21.24 H new ATOM 0 HB3 ARG A 18 20.770 9.169 -7.261 1.00 21.24 H new ATOM 0 HG2 ARG A 18 22.832 10.533 -6.562 1.00 62.21 H new ATOM 0 HG3 ARG A 18 22.934 9.486 -5.161 1.00 62.21 H new ATOM 0 HD2 ARG A 18 22.768 7.545 -6.964 1.00 44.44 H new ATOM 0 HD3 ARG A 18 23.298 8.794 -8.073 1.00 44.44 H new ATOM 0 HE ARG A 18 25.002 8.794 -5.757 1.00 30.12 H new ATOM 0 HH11 ARG A 18 24.226 6.925 -8.649 1.00 31.45 H new ATOM 0 HH12 ARG A 18 25.844 6.224 -8.771 1.00 31.45 H new ATOM 0 HH21 ARG A 18 27.077 7.890 -5.919 1.00 0.31 H new ATOM 0 HH22 ARG A 18 27.451 6.768 -7.231 1.00 0.31 H new ATOM 272 N ILE A 19 19.787 11.918 -7.585 1.00 52.11 N ATOM 273 CA ILE A 19 19.932 13.065 -8.472 1.00 64.52 C ATOM 274 C ILE A 19 19.583 14.364 -7.754 1.00 13.33 C ATOM 275 O ILE A 19 18.576 14.443 -7.050 1.00 75.21 O ATOM 276 CB ILE A 19 19.044 12.927 -9.722 1.00 60.20 C ATOM 277 CG1 ILE A 19 19.411 11.660 -10.497 1.00 13.44 C ATOM 278 CG2 ILE A 19 19.182 14.156 -10.609 1.00 3.21 C ATOM 279 CD1 ILE A 19 18.214 10.943 -11.084 1.00 43.12 C ATOM 0 H ILE A 19 19.062 11.257 -7.865 1.00 52.11 H new ATOM 0 HA ILE A 19 20.977 13.094 -8.781 1.00 64.52 H new ATOM 0 HB ILE A 19 18.004 12.848 -9.404 1.00 60.20 H new ATOM 0 HG12 ILE A 19 20.098 11.922 -11.302 1.00 13.44 H new ATOM 0 HG13 ILE A 19 19.943 10.979 -9.833 1.00 13.44 H new ATOM 0 HG21 ILE A 19 18.548 14.043 -11.488 1.00 3.21 H new ATOM 0 HG22 ILE A 19 18.876 15.042 -10.053 1.00 3.21 H new ATOM 0 HG23 ILE A 19 20.221 14.264 -10.922 1.00 3.21 H new ATOM 0 HD11 ILE A 19 18.549 10.054 -11.619 1.00 43.12 H new ATOM 0 HD12 ILE A 19 17.536 10.650 -10.282 1.00 43.12 H new ATOM 0 HD13 ILE A 19 17.694 11.608 -11.774 1.00 43.12 H new ATOM 291 N ARG A 20 20.419 15.380 -7.938 1.00 44.22 N ATOM 292 CA ARG A 20 20.197 16.676 -7.308 1.00 50.02 C ATOM 293 C ARG A 20 19.261 17.536 -8.151 1.00 74.03 C ATOM 294 O ARG A 20 19.412 17.629 -9.370 1.00 71.32 O ATOM 295 CB ARG A 20 21.528 17.402 -7.104 1.00 24.30 C ATOM 296 CG ARG A 20 22.574 16.565 -6.386 1.00 22.21 C ATOM 297 CD ARG A 20 23.883 17.324 -6.230 1.00 44.35 C ATOM 298 NE ARG A 20 25.043 16.441 -6.333 1.00 32.52 N ATOM 299 CZ ARG A 20 26.277 16.808 -6.007 1.00 73.54 C ATOM 300 NH1 ARG A 20 26.510 18.034 -5.557 1.00 45.45 N ATOM 301 NH2 ARG A 20 27.280 15.950 -6.129 1.00 2.23 N ATOM 0 H ARG A 20 21.256 15.331 -8.518 1.00 44.22 H new ATOM 0 HA ARG A 20 19.731 16.506 -6.337 1.00 50.02 H new ATOM 0 HB2 ARG A 20 21.920 17.704 -8.075 1.00 24.30 H new ATOM 0 HB3 ARG A 20 21.351 18.314 -6.534 1.00 24.30 H new ATOM 0 HG2 ARG A 20 22.200 16.277 -5.404 1.00 22.21 H new ATOM 0 HG3 ARG A 20 22.750 15.644 -6.943 1.00 22.21 H new ATOM 0 HD2 ARG A 20 23.947 18.098 -6.995 1.00 44.35 H new ATOM 0 HD3 ARG A 20 23.896 17.829 -5.264 1.00 44.35 H new ATOM 0 HE ARG A 20 24.897 15.491 -6.674 1.00 32.52 H new ATOM 0 HH11 ARG A 20 25.741 18.697 -5.461 1.00 45.45 H new ATOM 0 HH12 ARG A 20 27.458 18.314 -5.307 1.00 45.45 H new ATOM 0 HH21 ARG A 20 27.105 15.006 -6.474 1.00 2.23 H new ATOM 0 HH22 ARG A 20 28.227 16.234 -5.878 1.00 2.23 H new ATOM 315 N LEU A 21 18.292 18.165 -7.494 1.00 15.42 N ATOM 316 CA LEU A 21 17.329 19.018 -8.182 1.00 13.20 C ATOM 317 C LEU A 21 18.026 20.203 -8.842 1.00 74.41 C ATOM 318 O LEU A 21 17.680 20.598 -9.955 1.00 24.24 O ATOM 319 CB LEU A 21 16.268 19.519 -7.200 1.00 4.42 C ATOM 320 CG LEU A 21 15.146 18.535 -6.865 1.00 3.31 C ATOM 321 CD1 LEU A 21 14.402 18.978 -5.615 1.00 20.24 C ATOM 322 CD2 LEU A 21 14.187 18.399 -8.039 1.00 20.41 C ATOM 0 H LEU A 21 18.153 18.100 -6.486 1.00 15.42 H new ATOM 0 HA LEU A 21 16.846 18.425 -8.958 1.00 13.20 H new ATOM 0 HB2 LEU A 21 16.765 19.802 -6.272 1.00 4.42 H new ATOM 0 HB3 LEU A 21 15.820 20.424 -7.610 1.00 4.42 H new ATOM 0 HG LEU A 21 15.591 17.559 -6.671 1.00 3.31 H new ATOM 0 HD11 LEU A 21 13.608 18.266 -5.393 1.00 20.24 H new ATOM 0 HD12 LEU A 21 15.095 19.022 -4.775 1.00 20.24 H new ATOM 0 HD13 LEU A 21 13.969 19.965 -5.780 1.00 20.24 H new ATOM 0 HD21 LEU A 21 13.395 17.695 -7.782 1.00 20.41 H new ATOM 0 HD22 LEU A 21 13.749 19.371 -8.265 1.00 20.41 H new ATOM 0 HD23 LEU A 21 14.729 18.033 -8.911 1.00 20.41 H new ATOM 334 N ARG A 22 19.012 20.765 -8.149 1.00 50.15 N ATOM 335 CA ARG A 22 19.759 21.904 -8.668 1.00 14.12 C ATOM 336 C ARG A 22 21.261 21.655 -8.578 1.00 75.52 C ATOM 337 O ARG A 22 21.730 20.804 -7.823 1.00 40.41 O ATOM 338 CB ARG A 22 19.393 23.174 -7.898 1.00 43.03 C ATOM 339 CG ARG A 22 18.213 23.928 -8.490 1.00 4.13 C ATOM 340 CD ARG A 22 17.512 24.777 -7.442 1.00 22.24 C ATOM 341 NE ARG A 22 16.550 25.700 -8.040 1.00 41.45 N ATOM 342 CZ ARG A 22 16.897 26.816 -8.670 1.00 21.32 C ATOM 343 NH1 ARG A 22 18.176 27.147 -8.786 1.00 11.10 N ATOM 344 NH2 ARG A 22 15.964 27.605 -9.188 1.00 1.31 N ATOM 0 H ARG A 22 19.312 20.449 -7.226 1.00 50.15 H new ATOM 0 HA ARG A 22 19.493 22.035 -9.717 1.00 14.12 H new ATOM 0 HB2 ARG A 22 19.163 22.909 -6.866 1.00 43.03 H new ATOM 0 HB3 ARG A 22 20.259 23.835 -7.872 1.00 43.03 H new ATOM 0 HG2 ARG A 22 18.558 24.565 -9.304 1.00 4.13 H new ATOM 0 HG3 ARG A 22 17.505 23.219 -8.919 1.00 4.13 H new ATOM 0 HD2 ARG A 22 16.999 24.127 -6.733 1.00 22.24 H new ATOM 0 HD3 ARG A 22 18.254 25.342 -6.877 1.00 22.24 H new ATOM 0 HE ARG A 22 15.558 25.475 -7.970 1.00 41.45 H new ATOM 0 HH11 ARG A 22 18.897 26.543 -8.391 1.00 11.10 H new ATOM 0 HH12 ARG A 22 18.439 28.005 -9.271 1.00 11.10 H new ATOM 0 HH21 ARG A 22 14.979 27.354 -9.102 1.00 1.31 H new ATOM 0 HH22 ARG A 22 16.232 28.462 -9.672 1.00 1.31 H new ATOM 358 N PRO A 23 22.035 22.417 -9.366 1.00 52.13 N ATOM 359 CA PRO A 23 23.496 22.298 -9.392 1.00 65.31 C ATOM 360 C PRO A 23 24.143 22.800 -8.106 1.00 73.04 C ATOM 361 O PRO A 23 25.169 22.280 -7.672 1.00 73.54 O ATOM 362 CB PRO A 23 23.902 23.182 -10.575 1.00 25.11 C ATOM 363 CG PRO A 23 22.798 24.173 -10.703 1.00 10.24 C ATOM 364 CD PRO A 23 21.544 23.453 -10.289 1.00 4.53 C ATOM 0 HA PRO A 23 23.818 21.261 -9.485 1.00 65.31 H new ATOM 0 HB2 PRO A 23 24.857 23.675 -10.392 1.00 25.11 H new ATOM 0 HB3 PRO A 23 24.015 22.596 -11.487 1.00 25.11 H new ATOM 0 HG2 PRO A 23 22.977 25.041 -10.068 1.00 10.24 H new ATOM 0 HG3 PRO A 23 22.718 24.538 -11.727 1.00 10.24 H new ATOM 0 HD2 PRO A 23 20.838 24.124 -9.801 1.00 4.53 H new ATOM 0 HD3 PRO A 23 21.029 23.017 -11.145 1.00 4.53 H new ATOM 372 N GLY A 24 23.533 23.814 -7.499 1.00 32.34 N ATOM 373 CA GLY A 24 24.064 24.369 -6.268 1.00 21.12 C ATOM 374 C GLY A 24 23.084 24.267 -5.116 1.00 34.33 C ATOM 375 O GLY A 24 23.105 25.087 -4.199 1.00 3.33 O ATOM 0 H GLY A 24 22.681 24.261 -7.838 1.00 32.34 H new ATOM 0 HA2 GLY A 24 24.984 23.848 -6.005 1.00 21.12 H new ATOM 0 HA3 GLY A 24 24.325 25.415 -6.428 1.00 21.12 H new ATOM 379 N GLY A 25 22.219 23.258 -5.164 1.00 65.22 N ATOM 380 CA GLY A 25 21.238 23.071 -4.112 1.00 13.20 C ATOM 381 C GLY A 25 21.543 21.868 -3.241 1.00 61.13 C ATOM 382 O GLY A 25 22.550 21.187 -3.439 1.00 35.52 O ATOM 0 H GLY A 25 22.181 22.567 -5.913 1.00 65.22 H new ATOM 0 HA2 GLY A 25 21.202 23.966 -3.490 1.00 13.20 H new ATOM 0 HA3 GLY A 25 20.250 22.952 -4.558 1.00 13.20 H new ATOM 386 N LYS A 26 20.673 21.606 -2.271 1.00 23.13 N ATOM 387 CA LYS A 26 20.854 20.478 -1.365 1.00 32.00 C ATOM 388 C LYS A 26 19.621 19.581 -1.361 1.00 1.14 C ATOM 389 O LYS A 26 19.445 18.753 -0.467 1.00 44.20 O ATOM 390 CB LYS A 26 21.139 20.977 0.053 1.00 53.21 C ATOM 391 CG LYS A 26 22.222 20.189 0.769 1.00 22.51 C ATOM 392 CD LYS A 26 23.140 21.102 1.566 1.00 24.05 C ATOM 393 CE LYS A 26 22.649 21.276 2.995 1.00 63.51 C ATOM 394 NZ LYS A 26 22.596 22.710 3.391 1.00 54.24 N ATOM 0 H LYS A 26 19.835 22.160 -2.092 1.00 23.13 H new ATOM 0 HA LYS A 26 21.705 19.895 -1.716 1.00 32.00 H new ATOM 0 HB2 LYS A 26 21.434 22.025 0.008 1.00 53.21 H new ATOM 0 HB3 LYS A 26 20.220 20.929 0.637 1.00 53.21 H new ATOM 0 HG2 LYS A 26 21.762 19.461 1.437 1.00 22.51 H new ATOM 0 HG3 LYS A 26 22.808 19.628 0.040 1.00 22.51 H new ATOM 0 HD2 LYS A 26 24.148 20.688 1.574 1.00 24.05 H new ATOM 0 HD3 LYS A 26 23.199 22.075 1.079 1.00 24.05 H new ATOM 0 HE2 LYS A 26 21.657 20.835 3.095 1.00 63.51 H new ATOM 0 HE3 LYS A 26 23.308 20.736 3.674 1.00 63.51 H new ATOM 0 HZ1 LYS A 26 22.257 22.787 4.371 1.00 54.24 H new ATOM 0 HZ2 LYS A 26 23.547 23.125 3.320 1.00 54.24 H new ATOM 0 HZ3 LYS A 26 21.947 23.221 2.759 1.00 54.24 H new ATOM 408 N LYS A 27 18.769 19.749 -2.368 1.00 41.14 N ATOM 409 CA LYS A 27 17.553 18.952 -2.482 1.00 61.50 C ATOM 410 C LYS A 27 17.606 18.053 -3.714 1.00 70.12 C ATOM 411 O LYS A 27 18.065 18.468 -4.778 1.00 13.53 O ATOM 412 CB LYS A 27 16.327 19.864 -2.556 1.00 31.13 C ATOM 413 CG LYS A 27 16.089 20.668 -1.289 1.00 1.44 C ATOM 414 CD LYS A 27 15.257 19.890 -0.283 1.00 22.35 C ATOM 415 CE LYS A 27 16.082 19.487 0.929 1.00 62.33 C ATOM 416 NZ LYS A 27 15.259 18.781 1.950 1.00 71.13 N ATOM 0 H LYS A 27 18.899 20.430 -3.116 1.00 41.14 H new ATOM 0 HA LYS A 27 17.477 18.321 -1.596 1.00 61.50 H new ATOM 0 HB2 LYS A 27 16.445 20.550 -3.395 1.00 31.13 H new ATOM 0 HB3 LYS A 27 15.445 19.257 -2.762 1.00 31.13 H new ATOM 0 HG2 LYS A 27 17.046 20.935 -0.842 1.00 1.44 H new ATOM 0 HG3 LYS A 27 15.582 21.600 -1.538 1.00 1.44 H new ATOM 0 HD2 LYS A 27 14.410 20.497 0.037 1.00 22.35 H new ATOM 0 HD3 LYS A 27 14.848 18.999 -0.759 1.00 22.35 H new ATOM 0 HE2 LYS A 27 16.901 18.841 0.612 1.00 62.33 H new ATOM 0 HE3 LYS A 27 16.531 20.375 1.375 1.00 62.33 H new ATOM 0 HZ1 LYS A 27 15.858 18.523 2.760 1.00 71.13 H new ATOM 0 HZ2 LYS A 27 14.493 19.406 2.271 1.00 71.13 H new ATOM 0 HZ3 LYS A 27 14.851 17.920 1.533 1.00 71.13 H new ATOM 430 N LYS A 28 17.134 16.820 -3.562 1.00 72.22 N ATOM 431 CA LYS A 28 17.124 15.864 -4.661 1.00 42.45 C ATOM 432 C LYS A 28 15.698 15.580 -5.124 1.00 62.32 C ATOM 433 O LYS A 28 14.734 15.947 -4.453 1.00 55.45 O ATOM 434 CB LYS A 28 17.802 14.559 -4.235 1.00 40.54 C ATOM 435 CG LYS A 28 19.310 14.672 -4.102 1.00 45.12 C ATOM 436 CD LYS A 28 19.798 14.113 -2.776 1.00 75.14 C ATOM 437 CE LYS A 28 20.237 15.222 -1.831 1.00 53.21 C ATOM 438 NZ LYS A 28 19.088 15.797 -1.078 1.00 30.35 N ATOM 0 H LYS A 28 16.753 16.460 -2.687 1.00 72.22 H new ATOM 0 HA LYS A 28 17.677 16.300 -5.493 1.00 42.45 H new ATOM 0 HB2 LYS A 28 17.385 14.237 -3.281 1.00 40.54 H new ATOM 0 HB3 LYS A 28 17.567 13.783 -4.963 1.00 40.54 H new ATOM 0 HG2 LYS A 28 19.789 14.137 -4.922 1.00 45.12 H new ATOM 0 HG3 LYS A 28 19.606 15.717 -4.188 1.00 45.12 H new ATOM 0 HD2 LYS A 28 19.003 13.531 -2.311 1.00 75.14 H new ATOM 0 HD3 LYS A 28 20.631 13.432 -2.951 1.00 75.14 H new ATOM 0 HE2 LYS A 28 20.972 14.830 -1.128 1.00 53.21 H new ATOM 0 HE3 LYS A 28 20.729 16.011 -2.400 1.00 53.21 H new ATOM 0 HZ1 LYS A 28 19.233 16.819 -0.951 1.00 30.35 H new ATOM 0 HZ2 LYS A 28 18.209 15.635 -1.609 1.00 30.35 H new ATOM 0 HZ3 LYS A 28 19.019 15.339 -0.147 1.00 30.35 H new ATOM 452 N TYR A 29 15.574 14.926 -6.273 1.00 42.32 N ATOM 453 CA TYR A 29 14.266 14.595 -6.825 1.00 3.22 C ATOM 454 C TYR A 29 13.543 13.580 -5.945 1.00 43.24 C ATOM 455 O TYR A 29 14.175 12.791 -5.241 1.00 71.32 O ATOM 456 CB TYR A 29 14.413 14.042 -8.244 1.00 21.42 C ATOM 457 CG TYR A 29 14.576 15.115 -9.297 1.00 2.03 C ATOM 458 CD1 TYR A 29 15.833 15.604 -9.631 1.00 14.12 C ATOM 459 CD2 TYR A 29 13.472 15.637 -9.961 1.00 62.40 C ATOM 460 CE1 TYR A 29 15.985 16.584 -10.592 1.00 61.30 C ATOM 461 CE2 TYR A 29 13.616 16.616 -10.925 1.00 73.01 C ATOM 462 CZ TYR A 29 14.875 17.087 -11.236 1.00 53.10 C ATOM 463 OH TYR A 29 15.023 18.063 -12.196 1.00 10.32 O ATOM 0 H TYR A 29 16.363 14.615 -6.840 1.00 42.32 H new ATOM 0 HA TYR A 29 13.673 15.509 -6.857 1.00 3.22 H new ATOM 0 HB2 TYR A 29 15.276 13.377 -8.278 1.00 21.42 H new ATOM 0 HB3 TYR A 29 13.536 13.440 -8.483 1.00 21.42 H new ATOM 0 HD1 TYR A 29 16.706 15.211 -9.131 1.00 14.12 H new ATOM 0 HD2 TYR A 29 12.485 15.271 -9.719 1.00 62.40 H new ATOM 0 HE1 TYR A 29 16.969 16.955 -10.838 1.00 61.30 H new ATOM 0 HE2 TYR A 29 12.748 17.010 -11.432 1.00 73.01 H new ATOM 0 HH TYR A 29 15.875 18.528 -12.061 1.00 10.32 H new ATOM 473 N ARG A 30 12.216 13.606 -5.991 1.00 15.55 N ATOM 474 CA ARG A 30 11.406 12.689 -5.198 1.00 52.05 C ATOM 475 C ARG A 30 10.180 12.229 -5.981 1.00 13.52 C ATOM 476 O ARG A 30 9.824 12.819 -7.003 1.00 64.31 O ATOM 477 CB ARG A 30 10.969 13.358 -3.894 1.00 73.04 C ATOM 478 CG ARG A 30 11.406 12.608 -2.647 1.00 43.55 C ATOM 479 CD ARG A 30 11.691 13.558 -1.495 1.00 33.31 C ATOM 480 NE ARG A 30 11.107 13.089 -0.241 1.00 60.44 N ATOM 481 CZ ARG A 30 11.450 13.564 0.951 1.00 53.34 C ATOM 482 NH1 ARG A 30 12.367 14.515 1.052 1.00 23.54 N ATOM 483 NH2 ARG A 30 10.874 13.086 2.047 1.00 71.23 N ATOM 0 H ARG A 30 11.678 14.252 -6.569 1.00 15.55 H new ATOM 0 HA ARG A 30 12.015 11.816 -4.965 1.00 52.05 H new ATOM 0 HB2 ARG A 30 11.375 14.369 -3.861 1.00 73.04 H new ATOM 0 HB3 ARG A 30 9.883 13.451 -3.890 1.00 73.04 H new ATOM 0 HG2 ARG A 30 10.628 11.903 -2.354 1.00 43.55 H new ATOM 0 HG3 ARG A 30 12.299 12.024 -2.867 1.00 43.55 H new ATOM 0 HD2 ARG A 30 12.769 13.668 -1.374 1.00 33.31 H new ATOM 0 HD3 ARG A 30 11.294 14.545 -1.733 1.00 33.31 H new ATOM 0 HE ARG A 30 10.398 12.357 -0.283 1.00 60.44 H new ATOM 0 HH11 ARG A 30 12.812 14.885 0.212 1.00 23.54 H new ATOM 0 HH12 ARG A 30 12.627 14.877 1.969 1.00 23.54 H new ATOM 0 HH21 ARG A 30 10.168 12.354 1.974 1.00 71.23 H new ATOM 0 HH22 ARG A 30 11.138 13.451 2.962 1.00 71.23 H new ATOM 497 N LEU A 31 9.538 11.172 -5.498 1.00 12.41 N ATOM 498 CA LEU A 31 8.351 10.631 -6.152 1.00 23.44 C ATOM 499 C LEU A 31 7.372 11.744 -6.510 1.00 73.21 C ATOM 500 O LEU A 31 6.753 11.724 -7.574 1.00 11.34 O ATOM 501 CB LEU A 31 7.667 9.605 -5.248 1.00 51.22 C ATOM 502 CG LEU A 31 8.011 8.140 -5.515 1.00 53.31 C ATOM 503 CD1 LEU A 31 9.490 7.884 -5.271 1.00 34.34 C ATOM 504 CD2 LEU A 31 7.159 7.226 -4.646 1.00 41.14 C ATOM 0 H LEU A 31 9.819 10.672 -4.655 1.00 12.41 H new ATOM 0 HA LEU A 31 8.667 10.140 -7.072 1.00 23.44 H new ATOM 0 HB2 LEU A 31 7.922 9.835 -4.214 1.00 51.22 H new ATOM 0 HB3 LEU A 31 6.588 9.727 -5.345 1.00 51.22 H new ATOM 0 HG LEU A 31 7.794 7.921 -6.561 1.00 53.31 H new ATOM 0 HD11 LEU A 31 9.715 6.836 -5.466 1.00 34.34 H new ATOM 0 HD12 LEU A 31 10.083 8.512 -5.936 1.00 34.34 H new ATOM 0 HD13 LEU A 31 9.734 8.120 -4.235 1.00 34.34 H new ATOM 0 HD21 LEU A 31 7.417 6.187 -4.849 1.00 41.14 H new ATOM 0 HD22 LEU A 31 7.344 7.447 -3.595 1.00 41.14 H new ATOM 0 HD23 LEU A 31 6.105 7.389 -4.871 1.00 41.14 H new ATOM 516 N LYS A 32 7.237 12.717 -5.615 1.00 4.21 N ATOM 517 CA LYS A 32 6.336 13.842 -5.836 1.00 44.30 C ATOM 518 C LYS A 32 6.555 14.452 -7.217 1.00 4.10 C ATOM 519 O LYS A 32 5.600 14.779 -7.921 1.00 52.31 O ATOM 520 CB LYS A 32 6.544 14.908 -4.757 1.00 22.23 C ATOM 521 CG LYS A 32 5.349 15.082 -3.836 1.00 53.21 C ATOM 522 CD LYS A 32 5.665 16.020 -2.684 1.00 12.31 C ATOM 523 CE LYS A 32 5.879 15.256 -1.386 1.00 71.22 C ATOM 524 NZ LYS A 32 7.284 14.780 -1.248 1.00 53.42 N ATOM 0 H LYS A 32 7.741 12.749 -4.729 1.00 4.21 H new ATOM 0 HA LYS A 32 5.312 13.472 -5.780 1.00 44.30 H new ATOM 0 HB2 LYS A 32 7.417 14.643 -4.160 1.00 22.23 H new ATOM 0 HB3 LYS A 32 6.764 15.861 -5.238 1.00 22.23 H new ATOM 0 HG2 LYS A 32 4.505 15.473 -4.404 1.00 53.21 H new ATOM 0 HG3 LYS A 32 5.047 14.111 -3.443 1.00 53.21 H new ATOM 0 HD2 LYS A 32 6.559 16.598 -2.919 1.00 12.31 H new ATOM 0 HD3 LYS A 32 4.849 16.732 -2.558 1.00 12.31 H new ATOM 0 HE2 LYS A 32 5.628 15.898 -0.541 1.00 71.22 H new ATOM 0 HE3 LYS A 32 5.201 14.403 -1.351 1.00 71.22 H new ATOM 0 HZ1 LYS A 32 7.389 14.264 -0.351 1.00 53.42 H new ATOM 0 HZ2 LYS A 32 7.516 14.147 -2.040 1.00 53.42 H new ATOM 0 HZ3 LYS A 32 7.929 15.596 -1.256 1.00 53.42 H new ATOM 538 N HIS A 33 7.820 14.600 -7.599 1.00 72.31 N ATOM 539 CA HIS A 33 8.164 15.169 -8.898 1.00 63.12 C ATOM 540 C HIS A 33 7.737 14.238 -10.028 1.00 44.31 C ATOM 541 O HIS A 33 7.391 14.758 -11.089 1.00 20.21 O ATOM 542 CB HIS A 33 9.669 15.432 -8.980 1.00 54.23 C ATOM 543 CG HIS A 33 10.159 16.425 -7.972 1.00 34.50 C ATOM 544 ND1 HIS A 33 11.060 16.107 -6.978 1.00 73.53 N ATOM 545 CD2 HIS A 33 9.868 17.738 -7.808 1.00 61.32 C ATOM 546 CE1 HIS A 33 11.301 17.181 -6.246 1.00 22.32 C ATOM 547 NE2 HIS A 33 10.592 18.184 -6.730 1.00 13.42 N ATOM 0 H HIS A 33 8.623 14.334 -7.029 1.00 72.31 H new ATOM 0 HA HIS A 33 7.631 16.113 -9.007 1.00 63.12 H new ATOM 0 HB2 HIS A 33 10.202 14.492 -8.840 1.00 54.23 H new ATOM 0 HB3 HIS A 33 9.913 15.791 -9.980 1.00 54.23 H new ATOM 0 HD2 HIS A 33 9.192 18.325 -8.413 1.00 61.32 H new ATOM 0 HE1 HIS A 33 11.965 17.230 -5.396 1.00 22.32 H new ATOM 0 HE2 HIS A 33 10.583 19.136 -6.363 1.00 13.42 H new ATOM 555 N ILE A 34 7.751 12.923 -9.837 1.00 1.43 N ATOM 556 CA ILE A 34 7.350 11.995 -10.887 1.00 22.24 C ATOM 557 C ILE A 34 5.854 12.093 -11.167 1.00 74.34 C ATOM 558 O ILE A 34 5.417 11.985 -12.312 1.00 4.22 O ATOM 559 CB ILE A 34 7.697 10.541 -10.516 1.00 0.02 C ATOM 560 CG1 ILE A 34 9.158 10.439 -10.076 1.00 44.35 C ATOM 561 CG2 ILE A 34 7.427 9.616 -11.694 1.00 42.23 C ATOM 562 CD1 ILE A 34 9.545 9.063 -9.580 1.00 73.34 C ATOM 0 H ILE A 34 8.036 12.477 -8.965 1.00 1.43 H new ATOM 0 HA ILE A 34 7.904 12.275 -11.783 1.00 22.24 H new ATOM 0 HB ILE A 34 7.064 10.232 -9.684 1.00 0.02 H new ATOM 0 HG12 ILE A 34 9.801 10.708 -10.914 1.00 44.35 H new ATOM 0 HG13 ILE A 34 9.343 11.167 -9.286 1.00 44.35 H new ATOM 0 HG21 ILE A 34 7.677 8.592 -11.417 1.00 42.23 H new ATOM 0 HG22 ILE A 34 6.373 9.672 -11.966 1.00 42.23 H new ATOM 0 HG23 ILE A 34 8.038 9.921 -12.544 1.00 42.23 H new ATOM 0 HD11 ILE A 34 10.594 9.064 -9.285 1.00 73.34 H new ATOM 0 HD12 ILE A 34 8.927 8.798 -8.722 1.00 73.34 H new ATOM 0 HD13 ILE A 34 9.393 8.333 -10.375 1.00 73.34 H new ATOM 574 N VAL A 35 5.073 12.302 -10.111 1.00 1.22 N ATOM 575 CA VAL A 35 3.625 12.419 -10.243 1.00 4.40 C ATOM 576 C VAL A 35 3.247 13.587 -11.147 1.00 63.42 C ATOM 577 O VAL A 35 2.549 13.412 -12.144 1.00 40.30 O ATOM 578 CB VAL A 35 2.951 12.606 -8.871 1.00 5.54 C ATOM 579 CG1 VAL A 35 1.448 12.770 -9.033 1.00 14.22 C ATOM 580 CG2 VAL A 35 3.271 11.434 -7.956 1.00 45.32 C ATOM 0 H VAL A 35 5.418 12.394 -9.156 1.00 1.22 H new ATOM 0 HA VAL A 35 3.272 11.490 -10.690 1.00 4.40 H new ATOM 0 HB VAL A 35 3.345 13.513 -8.413 1.00 5.54 H new ATOM 0 HG11 VAL A 35 0.989 12.901 -8.053 1.00 14.22 H new ATOM 0 HG12 VAL A 35 1.242 13.644 -9.650 1.00 14.22 H new ATOM 0 HG13 VAL A 35 1.035 11.882 -9.512 1.00 14.22 H new ATOM 0 HG21 VAL A 35 2.787 11.583 -6.991 1.00 45.32 H new ATOM 0 HG22 VAL A 35 2.906 10.511 -8.406 1.00 45.32 H new ATOM 0 HG23 VAL A 35 4.350 11.367 -7.814 1.00 45.32 H new ATOM 590 N TRP A 36 3.716 14.778 -10.791 1.00 52.15 N ATOM 591 CA TRP A 36 3.427 15.976 -11.570 1.00 70.04 C ATOM 592 C TRP A 36 3.755 15.760 -13.043 1.00 64.04 C ATOM 593 O TRP A 36 3.029 16.219 -13.924 1.00 52.21 O ATOM 594 CB TRP A 36 4.221 17.165 -11.028 1.00 61.12 C ATOM 595 CG TRP A 36 3.879 18.462 -11.696 1.00 71.14 C ATOM 596 CD1 TRP A 36 2.827 19.282 -11.404 1.00 32.35 C ATOM 597 CD2 TRP A 36 4.591 19.087 -12.770 1.00 51.15 C ATOM 598 NE1 TRP A 36 2.841 20.380 -12.232 1.00 45.24 N ATOM 599 CE2 TRP A 36 3.915 20.283 -13.078 1.00 20.01 C ATOM 600 CE3 TRP A 36 5.735 18.753 -13.500 1.00 72.13 C ATOM 601 CZ2 TRP A 36 4.345 21.144 -14.084 1.00 22.32 C ATOM 602 CZ3 TRP A 36 6.161 19.608 -14.498 1.00 50.43 C ATOM 603 CH2 TRP A 36 5.468 20.792 -14.783 1.00 11.34 C ATOM 0 H TRP A 36 4.297 14.939 -9.969 1.00 52.15 H new ATOM 0 HA TRP A 36 2.362 16.188 -11.482 1.00 70.04 H new ATOM 0 HB2 TRP A 36 4.038 17.257 -9.957 1.00 61.12 H new ATOM 0 HB3 TRP A 36 5.286 16.969 -11.154 1.00 61.12 H new ATOM 0 HD1 TRP A 36 2.092 19.096 -10.635 1.00 32.35 H new ATOM 0 HE1 TRP A 36 2.163 21.142 -12.219 1.00 45.24 H new ATOM 0 HE3 TRP A 36 6.276 17.843 -13.288 1.00 72.13 H new ATOM 0 HZ2 TRP A 36 3.812 22.057 -14.305 1.00 22.32 H new ATOM 0 HZ3 TRP A 36 7.044 19.359 -15.069 1.00 50.43 H new ATOM 0 HH2 TRP A 36 5.827 21.439 -15.569 1.00 11.34 H new ATOM 614 N ALA A 37 4.853 15.057 -13.303 1.00 3.44 N ATOM 615 CA ALA A 37 5.275 14.777 -14.670 1.00 34.12 C ATOM 616 C ALA A 37 4.237 13.933 -15.403 1.00 31.12 C ATOM 617 O ALA A 37 3.637 14.381 -16.379 1.00 30.03 O ATOM 618 CB ALA A 37 6.625 14.077 -14.673 1.00 41.11 C ATOM 0 H ALA A 37 5.466 14.671 -12.585 1.00 3.44 H new ATOM 0 HA ALA A 37 5.370 15.727 -15.196 1.00 34.12 H new ATOM 0 HB1 ALA A 37 6.927 13.874 -15.700 1.00 41.11 H new ATOM 0 HB2 ALA A 37 7.368 14.717 -14.196 1.00 41.11 H new ATOM 0 HB3 ALA A 37 6.549 13.138 -14.125 1.00 41.11 H new ATOM 624 N ALA A 38 4.034 12.710 -14.926 1.00 14.13 N ATOM 625 CA ALA A 38 3.068 11.804 -15.537 1.00 55.25 C ATOM 626 C ALA A 38 1.682 12.437 -15.596 1.00 32.03 C ATOM 627 O ALA A 38 0.921 12.199 -16.533 1.00 15.23 O ATOM 628 CB ALA A 38 3.017 10.491 -14.768 1.00 31.21 C ATOM 0 H ALA A 38 4.524 12.323 -14.119 1.00 14.13 H new ATOM 0 HA ALA A 38 3.391 11.603 -16.558 1.00 55.25 H new ATOM 0 HB1 ALA A 38 2.292 9.824 -15.235 1.00 31.21 H new ATOM 0 HB2 ALA A 38 4.001 10.023 -14.781 1.00 31.21 H new ATOM 0 HB3 ALA A 38 2.721 10.684 -13.737 1.00 31.21 H new ATOM 634 N ASN A 39 1.361 13.245 -14.591 1.00 23.24 N ATOM 635 CA ASN A 39 0.066 13.913 -14.530 1.00 70.25 C ATOM 636 C ASN A 39 -0.070 14.940 -15.649 1.00 22.11 C ATOM 637 O ASN A 39 -0.983 14.862 -16.471 1.00 33.21 O ATOM 638 CB ASN A 39 -0.116 14.594 -13.171 1.00 22.44 C ATOM 639 CG ASN A 39 -0.288 13.597 -12.043 1.00 2.21 C ATOM 640 OD1 ASN A 39 -0.016 12.406 -12.204 1.00 71.40 O ATOM 641 ND2 ASN A 39 -0.741 14.078 -10.892 1.00 75.41 N ATOM 0 H ASN A 39 1.980 13.453 -13.807 1.00 23.24 H new ATOM 0 HA ASN A 39 -0.711 13.159 -14.658 1.00 70.25 H new ATOM 0 HB2 ASN A 39 0.748 15.225 -12.965 1.00 22.44 H new ATOM 0 HB3 ASN A 39 -0.987 15.249 -13.209 1.00 22.44 H new ATOM 0 HD21 ASN A 39 -0.876 13.454 -10.097 1.00 75.41 H new ATOM 0 HD22 ASN A 39 -0.954 15.072 -10.803 1.00 75.41 H new ATOM 648 N LYS A 40 0.846 15.903 -15.676 1.00 75.15 N ATOM 649 CA LYS A 40 0.830 16.946 -16.694 1.00 64.00 C ATOM 650 C LYS A 40 0.672 16.344 -18.086 1.00 20.12 C ATOM 651 O LYS A 40 0.058 16.946 -18.968 1.00 33.51 O ATOM 652 CB LYS A 40 2.117 17.772 -16.627 1.00 14.10 C ATOM 653 CG LYS A 40 2.092 18.851 -15.559 1.00 64.03 C ATOM 654 CD LYS A 40 1.621 20.182 -16.121 1.00 2.54 C ATOM 655 CE LYS A 40 1.020 21.064 -15.038 1.00 52.30 C ATOM 656 NZ LYS A 40 0.600 22.390 -15.571 1.00 44.51 N ATOM 0 H LYS A 40 1.609 15.982 -15.004 1.00 75.15 H new ATOM 0 HA LYS A 40 -0.023 17.597 -16.499 1.00 64.00 H new ATOM 0 HB2 LYS A 40 2.958 17.105 -16.438 1.00 14.10 H new ATOM 0 HB3 LYS A 40 2.291 18.237 -17.597 1.00 14.10 H new ATOM 0 HG2 LYS A 40 1.433 18.545 -14.747 1.00 64.03 H new ATOM 0 HG3 LYS A 40 3.089 18.967 -15.134 1.00 64.03 H new ATOM 0 HD2 LYS A 40 2.460 20.698 -16.588 1.00 2.54 H new ATOM 0 HD3 LYS A 40 0.880 20.007 -16.901 1.00 2.54 H new ATOM 0 HE2 LYS A 40 0.160 20.561 -14.596 1.00 52.30 H new ATOM 0 HE3 LYS A 40 1.749 21.208 -14.241 1.00 52.30 H new ATOM 0 HZ1 LYS A 40 0.196 22.961 -14.802 1.00 44.51 H new ATOM 0 HZ2 LYS A 40 1.425 22.881 -15.970 1.00 44.51 H new ATOM 0 HZ3 LYS A 40 -0.115 22.255 -16.314 1.00 44.51 H new ATOM 670 N LEU A 41 1.227 15.153 -18.278 1.00 52.55 N ATOM 671 CA LEU A 41 1.146 14.468 -19.564 1.00 41.24 C ATOM 672 C LEU A 41 -0.304 14.151 -19.921 1.00 24.40 C ATOM 673 O LEU A 41 -0.846 14.691 -20.885 1.00 32.13 O ATOM 674 CB LEU A 41 1.967 13.178 -19.529 1.00 64.11 C ATOM 675 CG LEU A 41 3.486 13.351 -19.486 1.00 52.11 C ATOM 676 CD1 LEU A 41 4.165 12.026 -19.175 1.00 62.11 C ATOM 677 CD2 LEU A 41 3.996 13.918 -20.802 1.00 43.24 C ATOM 0 H LEU A 41 1.738 14.641 -17.559 1.00 52.55 H new ATOM 0 HA LEU A 41 1.553 15.131 -20.328 1.00 41.24 H new ATOM 0 HB2 LEU A 41 1.662 12.600 -18.656 1.00 64.11 H new ATOM 0 HB3 LEU A 41 1.713 12.585 -20.408 1.00 64.11 H new ATOM 0 HG LEU A 41 3.730 14.056 -18.691 1.00 52.11 H new ATOM 0 HD11 LEU A 41 5.245 12.168 -19.148 1.00 62.11 H new ATOM 0 HD12 LEU A 41 3.823 11.660 -18.207 1.00 62.11 H new ATOM 0 HD13 LEU A 41 3.914 11.298 -19.947 1.00 62.11 H new ATOM 0 HD21 LEU A 41 5.079 14.034 -20.753 1.00 43.24 H new ATOM 0 HD22 LEU A 41 3.741 13.238 -21.615 1.00 43.24 H new ATOM 0 HD23 LEU A 41 3.535 14.889 -20.983 1.00 43.24 H new ATOM 689 N ASP A 42 -0.923 13.277 -19.137 1.00 11.55 N ATOM 690 CA ASP A 42 -2.310 12.891 -19.369 1.00 13.15 C ATOM 691 C ASP A 42 -3.188 14.120 -19.581 1.00 33.42 C ATOM 692 O ASP A 42 -4.029 14.147 -20.480 1.00 54.03 O ATOM 693 CB ASP A 42 -2.837 12.069 -18.192 1.00 1.02 C ATOM 694 CG ASP A 42 -4.248 11.564 -18.424 1.00 34.42 C ATOM 695 OD1 ASP A 42 -4.519 11.046 -19.527 1.00 60.14 O ATOM 696 OD2 ASP A 42 -5.082 11.689 -17.502 1.00 14.14 O ATOM 0 H ASP A 42 -0.487 12.822 -18.335 1.00 11.55 H new ATOM 0 HA ASP A 42 -2.345 12.282 -20.272 1.00 13.15 H new ATOM 0 HB2 ASP A 42 -2.174 11.221 -18.019 1.00 1.02 H new ATOM 0 HB3 ASP A 42 -2.816 12.679 -17.289 1.00 1.02 H new ATOM 701 N ARG A 43 -2.986 15.136 -18.748 1.00 5.41 N ATOM 702 CA ARG A 43 -3.760 16.367 -18.843 1.00 54.31 C ATOM 703 C ARG A 43 -3.516 17.062 -20.179 1.00 12.53 C ATOM 704 O ARG A 43 -4.431 17.210 -20.990 1.00 14.22 O ATOM 705 CB ARG A 43 -3.401 17.310 -17.693 1.00 61.21 C ATOM 706 CG ARG A 43 -4.600 17.747 -16.866 1.00 21.13 C ATOM 707 CD ARG A 43 -4.178 18.607 -15.686 1.00 72.43 C ATOM 708 NE ARG A 43 -5.290 18.871 -14.776 1.00 45.33 N ATOM 709 CZ ARG A 43 -6.217 19.797 -14.996 1.00 45.14 C ATOM 710 NH1 ARG A 43 -6.164 20.544 -16.089 1.00 71.22 N ATOM 711 NH2 ARG A 43 -7.197 19.977 -14.120 1.00 0.22 N ATOM 0 H ARG A 43 -2.293 15.130 -18.000 1.00 5.41 H new ATOM 0 HA ARG A 43 -4.817 16.108 -18.776 1.00 54.31 H new ATOM 0 HB2 ARG A 43 -2.681 16.816 -17.041 1.00 61.21 H new ATOM 0 HB3 ARG A 43 -2.909 18.194 -18.099 1.00 61.21 H new ATOM 0 HG2 ARG A 43 -5.293 18.305 -17.495 1.00 21.13 H new ATOM 0 HG3 ARG A 43 -5.134 16.868 -16.505 1.00 21.13 H new ATOM 0 HD2 ARG A 43 -3.375 18.108 -15.143 1.00 72.43 H new ATOM 0 HD3 ARG A 43 -3.776 19.552 -16.051 1.00 72.43 H new ATOM 0 HE ARG A 43 -5.358 18.314 -13.925 1.00 45.33 H new ATOM 0 HH11 ARG A 43 -5.411 20.409 -16.763 1.00 71.22 H new ATOM 0 HH12 ARG A 43 -6.877 21.254 -16.256 1.00 71.22 H new ATOM 0 HH21 ARG A 43 -7.239 19.404 -13.277 1.00 0.22 H new ATOM 0 HH22 ARG A 43 -7.908 20.688 -14.290 1.00 0.22 H new ATOM 725 N PHE A 44 -2.277 17.485 -20.403 1.00 21.32 N ATOM 726 CA PHE A 44 -1.913 18.165 -21.640 1.00 64.40 C ATOM 727 C PHE A 44 -2.404 17.384 -22.856 1.00 64.33 C ATOM 728 O PHE A 44 -2.969 17.955 -23.787 1.00 3.14 O ATOM 729 CB PHE A 44 -0.396 18.350 -21.718 1.00 41.11 C ATOM 730 CG PHE A 44 0.106 19.527 -20.930 1.00 1.54 C ATOM 731 CD1 PHE A 44 -0.480 20.774 -21.073 1.00 1.13 C ATOM 732 CD2 PHE A 44 1.164 19.385 -20.046 1.00 2.43 C ATOM 733 CE1 PHE A 44 -0.020 21.858 -20.350 1.00 3.31 C ATOM 734 CE2 PHE A 44 1.629 20.465 -19.320 1.00 53.41 C ATOM 735 CZ PHE A 44 1.035 21.703 -19.472 1.00 53.20 C ATOM 0 H PHE A 44 -1.507 17.369 -19.744 1.00 21.32 H new ATOM 0 HA PHE A 44 -2.393 19.144 -21.641 1.00 64.40 H new ATOM 0 HB2 PHE A 44 0.091 17.445 -21.355 1.00 41.11 H new ATOM 0 HB3 PHE A 44 -0.106 18.471 -22.762 1.00 41.11 H new ATOM 0 HD1 PHE A 44 -1.306 20.900 -21.757 1.00 1.13 H new ATOM 0 HD2 PHE A 44 1.631 18.419 -19.923 1.00 2.43 H new ATOM 0 HE1 PHE A 44 -0.485 22.825 -20.471 1.00 3.31 H new ATOM 0 HE2 PHE A 44 2.455 20.342 -18.635 1.00 53.41 H new ATOM 0 HZ PHE A 44 1.395 22.549 -18.905 1.00 53.20 H new ATOM 745 N GLY A 45 -2.184 16.073 -22.837 1.00 44.01 N ATOM 746 CA GLY A 45 -2.609 15.233 -23.942 1.00 15.04 C ATOM 747 C GLY A 45 -1.706 14.033 -24.139 1.00 43.41 C ATOM 748 O GLY A 45 -2.065 13.084 -24.838 1.00 4.43 O ATOM 0 H GLY A 45 -1.719 15.577 -22.076 1.00 44.01 H new ATOM 0 HA2 GLY A 45 -3.628 14.891 -23.763 1.00 15.04 H new ATOM 0 HA3 GLY A 45 -2.627 15.824 -24.858 1.00 15.04 H new ATOM 752 N LEU A 46 -0.529 14.072 -23.525 1.00 61.01 N ATOM 753 CA LEU A 46 0.430 12.979 -23.637 1.00 71.24 C ATOM 754 C LEU A 46 0.080 11.846 -22.677 1.00 24.23 C ATOM 755 O LEU A 46 -0.575 12.062 -21.659 1.00 34.44 O ATOM 756 CB LEU A 46 1.846 13.485 -23.352 1.00 42.13 C ATOM 757 CG LEU A 46 2.591 14.097 -24.538 1.00 70.43 C ATOM 758 CD1 LEU A 46 3.661 15.064 -24.054 1.00 2.02 C ATOM 759 CD2 LEU A 46 3.207 13.007 -25.401 1.00 5.05 C ATOM 0 H LEU A 46 -0.216 14.849 -22.944 1.00 61.01 H new ATOM 0 HA LEU A 46 0.386 12.594 -24.656 1.00 71.24 H new ATOM 0 HB2 LEU A 46 1.791 14.231 -22.559 1.00 42.13 H new ATOM 0 HB3 LEU A 46 2.437 12.654 -22.967 1.00 42.13 H new ATOM 0 HG LEU A 46 1.875 14.652 -25.145 1.00 70.43 H new ATOM 0 HD11 LEU A 46 4.181 15.490 -24.912 1.00 2.02 H new ATOM 0 HD12 LEU A 46 3.195 15.864 -23.478 1.00 2.02 H new ATOM 0 HD13 LEU A 46 4.374 14.532 -23.425 1.00 2.02 H new ATOM 0 HD21 LEU A 46 3.733 13.461 -26.240 1.00 5.05 H new ATOM 0 HD22 LEU A 46 3.909 12.424 -24.805 1.00 5.05 H new ATOM 0 HD23 LEU A 46 2.421 12.353 -25.777 1.00 5.05 H new ATOM 771 N ALA A 47 0.524 10.638 -23.010 1.00 52.40 N ATOM 772 CA ALA A 47 0.260 9.472 -22.177 1.00 65.31 C ATOM 773 C ALA A 47 1.464 9.141 -21.300 1.00 11.31 C ATOM 774 O ALA A 47 2.548 9.690 -21.487 1.00 32.32 O ATOM 775 CB ALA A 47 -0.110 8.276 -23.042 1.00 60.32 C ATOM 0 H ALA A 47 1.068 10.442 -23.850 1.00 52.40 H new ATOM 0 HA ALA A 47 -0.580 9.706 -21.524 1.00 65.31 H new ATOM 0 HB1 ALA A 47 -0.304 7.413 -22.405 1.00 60.32 H new ATOM 0 HB2 ALA A 47 -1.004 8.508 -23.621 1.00 60.32 H new ATOM 0 HB3 ALA A 47 0.713 8.049 -23.720 1.00 60.32 H new ATOM 826 N LEU A 51 7.192 6.966 -20.055 1.00 73.45 N ATOM 827 CA LEU A 51 7.866 7.030 -18.762 1.00 54.31 C ATOM 828 C LEU A 51 8.474 5.679 -18.398 1.00 61.22 C ATOM 829 O LEU A 51 9.534 5.613 -17.778 1.00 71.45 O ATOM 830 CB LEU A 51 6.883 7.468 -17.674 1.00 21.43 C ATOM 831 CG LEU A 51 6.466 8.939 -17.701 1.00 72.03 C ATOM 832 CD1 LEU A 51 5.339 9.193 -16.711 1.00 23.15 C ATOM 833 CD2 LEU A 51 7.657 9.836 -17.395 1.00 34.12 C ATOM 0 HA LEU A 51 8.670 7.763 -18.835 1.00 54.31 H new ATOM 0 HB2 LEU A 51 5.985 6.855 -17.755 1.00 21.43 H new ATOM 0 HB3 LEU A 51 7.328 7.255 -16.702 1.00 21.43 H new ATOM 0 HG LEU A 51 6.104 9.176 -18.702 1.00 72.03 H new ATOM 0 HD11 LEU A 51 5.056 10.245 -16.744 1.00 23.15 H new ATOM 0 HD12 LEU A 51 4.479 8.577 -16.973 1.00 23.15 H new ATOM 0 HD13 LEU A 51 5.674 8.939 -15.705 1.00 23.15 H new ATOM 0 HD21 LEU A 51 7.342 10.879 -17.418 1.00 34.12 H new ATOM 0 HD22 LEU A 51 8.048 9.597 -16.406 1.00 34.12 H new ATOM 0 HD23 LEU A 51 8.435 9.675 -18.141 1.00 34.12 H new ATOM 845 N GLU A 52 7.796 4.605 -18.791 1.00 41.03 N ATOM 846 CA GLU A 52 8.273 3.256 -18.507 1.00 74.40 C ATOM 847 C GLU A 52 9.435 2.885 -19.423 1.00 32.21 C ATOM 848 O GLU A 52 10.472 2.406 -18.964 1.00 51.34 O ATOM 849 CB GLU A 52 7.137 2.245 -18.672 1.00 14.52 C ATOM 850 CG GLU A 52 5.793 2.752 -18.174 1.00 31.21 C ATOM 851 CD GLU A 52 4.852 1.628 -17.789 1.00 43.54 C ATOM 852 OE1 GLU A 52 5.331 0.490 -17.600 1.00 61.22 O ATOM 853 OE2 GLU A 52 3.636 1.886 -17.675 1.00 54.23 O ATOM 0 H GLU A 52 6.916 4.642 -19.306 1.00 41.03 H new ATOM 0 HA GLU A 52 8.625 3.232 -17.476 1.00 74.40 H new ATOM 0 HB2 GLU A 52 7.048 1.980 -19.726 1.00 14.52 H new ATOM 0 HB3 GLU A 52 7.393 1.332 -18.134 1.00 14.52 H new ATOM 0 HG2 GLU A 52 5.950 3.400 -17.312 1.00 31.21 H new ATOM 0 HG3 GLU A 52 5.328 3.360 -18.950 1.00 31.21 H new ATOM 860 N SER A 53 9.254 3.111 -20.720 1.00 52.25 N ATOM 861 CA SER A 53 10.285 2.797 -21.702 1.00 3.53 C ATOM 862 C SER A 53 11.106 4.037 -22.044 1.00 34.20 C ATOM 863 O SER A 53 10.555 5.104 -22.315 1.00 74.43 O ATOM 864 CB SER A 53 9.653 2.223 -22.971 1.00 70.00 C ATOM 865 OG SER A 53 9.671 3.172 -24.023 1.00 14.05 O ATOM 0 H SER A 53 8.403 3.510 -21.115 1.00 52.25 H new ATOM 0 HA SER A 53 10.950 2.051 -21.267 1.00 3.53 H new ATOM 0 HB2 SER A 53 10.192 1.326 -23.276 1.00 70.00 H new ATOM 0 HB3 SER A 53 8.626 1.922 -22.766 1.00 70.00 H new ATOM 0 HG SER A 53 8.888 3.756 -23.950 1.00 14.05 H new ATOM 871 N LYS A 54 12.426 3.888 -22.030 1.00 71.24 N ATOM 872 CA LYS A 54 13.324 4.994 -22.339 1.00 64.30 C ATOM 873 C LYS A 54 13.024 5.568 -23.720 1.00 70.20 C ATOM 874 O LYS A 54 13.108 6.778 -23.930 1.00 4.05 O ATOM 875 CB LYS A 54 14.781 4.528 -22.275 1.00 54.25 C ATOM 876 CG LYS A 54 15.150 3.535 -23.363 1.00 73.45 C ATOM 877 CD LYS A 54 16.550 2.979 -23.158 1.00 33.22 C ATOM 878 CE LYS A 54 16.512 1.581 -22.560 1.00 50.14 C ATOM 879 NZ LYS A 54 16.505 0.527 -23.612 1.00 14.23 N ATOM 0 H LYS A 54 12.898 3.011 -21.808 1.00 71.24 H new ATOM 0 HA LYS A 54 13.166 5.776 -21.597 1.00 64.30 H new ATOM 0 HB2 LYS A 54 15.435 5.397 -22.350 1.00 54.25 H new ATOM 0 HB3 LYS A 54 14.966 4.073 -21.302 1.00 54.25 H new ATOM 0 HG2 LYS A 54 14.430 2.717 -23.370 1.00 73.45 H new ATOM 0 HG3 LYS A 54 15.089 4.021 -24.337 1.00 73.45 H new ATOM 0 HD2 LYS A 54 17.076 2.954 -24.112 1.00 33.22 H new ATOM 0 HD3 LYS A 54 17.113 3.642 -22.501 1.00 33.22 H new ATOM 0 HE2 LYS A 54 17.376 1.440 -21.911 1.00 50.14 H new ATOM 0 HE3 LYS A 54 15.624 1.477 -21.936 1.00 50.14 H new ATOM 0 HZ1 LYS A 54 16.479 -0.411 -23.164 1.00 14.23 H new ATOM 0 HZ2 LYS A 54 15.667 0.645 -24.216 1.00 14.23 H new ATOM 0 HZ3 LYS A 54 17.364 0.610 -24.192 1.00 14.23 H new ATOM 893 N GLU A 55 12.672 4.693 -24.657 1.00 60.51 N ATOM 894 CA GLU A 55 12.359 5.116 -26.017 1.00 4.33 C ATOM 895 C GLU A 55 11.197 6.104 -26.026 1.00 74.12 C ATOM 896 O GLU A 55 11.190 7.066 -26.794 1.00 45.21 O ATOM 897 CB GLU A 55 12.018 3.903 -26.886 1.00 70.23 C ATOM 898 CG GLU A 55 11.801 4.245 -28.350 1.00 33.24 C ATOM 899 CD GLU A 55 11.387 3.042 -29.175 1.00 54.33 C ATOM 900 OE1 GLU A 55 12.241 2.164 -29.415 1.00 31.14 O ATOM 901 OE2 GLU A 55 10.207 2.979 -29.580 1.00 33.35 O ATOM 0 H GLU A 55 12.597 3.688 -24.499 1.00 60.51 H new ATOM 0 HA GLU A 55 13.238 5.613 -26.427 1.00 4.33 H new ATOM 0 HB2 GLU A 55 12.823 3.173 -26.808 1.00 70.23 H new ATOM 0 HB3 GLU A 55 11.118 3.428 -26.495 1.00 70.23 H new ATOM 0 HG2 GLU A 55 11.035 5.016 -28.429 1.00 33.24 H new ATOM 0 HG3 GLU A 55 12.719 4.664 -28.761 1.00 33.24 H new ATOM 908 N GLY A 56 10.212 5.859 -25.166 1.00 63.43 N ATOM 909 CA GLY A 56 9.057 6.735 -25.091 1.00 63.43 C ATOM 910 C GLY A 56 9.412 8.119 -24.585 1.00 72.15 C ATOM 911 O GLY A 56 8.999 9.124 -25.164 1.00 10.14 O ATOM 0 H GLY A 56 10.194 5.070 -24.520 1.00 63.43 H new ATOM 0 HA2 GLY A 56 8.603 6.818 -26.078 1.00 63.43 H new ATOM 0 HA3 GLY A 56 8.310 6.291 -24.433 1.00 63.43 H new ATOM 915 N CYS A 57 10.178 8.173 -23.501 1.00 32.01 N ATOM 916 CA CYS A 57 10.586 9.446 -22.915 1.00 24.14 C ATOM 917 C CYS A 57 11.269 10.329 -23.955 1.00 54.34 C ATOM 918 O CYS A 57 11.170 11.554 -23.902 1.00 75.21 O ATOM 919 CB CYS A 57 11.527 9.208 -21.733 1.00 0.21 C ATOM 920 SG CYS A 57 10.967 9.953 -20.183 1.00 62.53 S ATOM 0 H CYS A 57 10.529 7.351 -23.010 1.00 32.01 H new ATOM 0 HA CYS A 57 9.692 9.959 -22.561 1.00 24.14 H new ATOM 0 HB2 CYS A 57 11.644 8.134 -21.586 1.00 0.21 H new ATOM 0 HB3 CYS A 57 12.511 9.606 -21.980 1.00 0.21 H new ATOM 0 HG CYS A 57 11.985 10.458 -19.552 1.00 62.53 H new ATOM 926 N GLN A 58 11.961 9.697 -24.897 1.00 53.14 N ATOM 927 CA GLN A 58 12.661 10.427 -25.947 1.00 5.34 C ATOM 928 C GLN A 58 11.676 11.161 -26.851 1.00 43.12 C ATOM 929 O GLN A 58 12.041 12.109 -27.545 1.00 74.33 O ATOM 930 CB GLN A 58 13.518 9.470 -26.777 1.00 4.04 C ATOM 931 CG GLN A 58 14.712 10.139 -27.438 1.00 23.24 C ATOM 932 CD GLN A 58 15.500 9.190 -28.320 1.00 75.12 C ATOM 933 OE1 GLN A 58 15.457 9.282 -29.546 1.00 14.44 O ATOM 934 NE2 GLN A 58 16.227 8.270 -27.696 1.00 60.41 N ATOM 0 H GLN A 58 12.052 8.683 -24.955 1.00 53.14 H new ATOM 0 HA GLN A 58 13.308 11.165 -25.472 1.00 5.34 H new ATOM 0 HB2 GLN A 58 13.873 8.664 -26.135 1.00 4.04 H new ATOM 0 HB3 GLN A 58 12.896 9.013 -27.547 1.00 4.04 H new ATOM 0 HG2 GLN A 58 14.366 10.982 -28.036 1.00 23.24 H new ATOM 0 HG3 GLN A 58 15.369 10.543 -26.668 1.00 23.24 H new ATOM 0 HE21 GLN A 58 16.233 8.230 -26.677 1.00 60.41 H new ATOM 0 HE22 GLN A 58 16.779 7.604 -28.236 1.00 60.41 H new ATOM 943 N LYS A 59 10.424 10.714 -26.839 1.00 51.15 N ATOM 944 CA LYS A 59 9.385 11.328 -27.655 1.00 34.45 C ATOM 945 C LYS A 59 8.860 12.602 -27.002 1.00 75.53 C ATOM 946 O LYS A 59 8.189 13.411 -27.645 1.00 43.01 O ATOM 947 CB LYS A 59 8.233 10.344 -27.876 1.00 32.10 C ATOM 948 CG LYS A 59 7.920 10.092 -29.341 1.00 31.42 C ATOM 949 CD LYS A 59 6.820 11.013 -29.843 1.00 41.12 C ATOM 950 CE LYS A 59 6.344 10.609 -31.230 1.00 61.54 C ATOM 951 NZ LYS A 59 4.996 11.163 -31.536 1.00 24.14 N ATOM 0 H LYS A 59 10.105 9.928 -26.272 1.00 51.15 H new ATOM 0 HA LYS A 59 9.823 11.589 -28.618 1.00 34.45 H new ATOM 0 HB2 LYS A 59 8.479 9.396 -27.398 1.00 32.10 H new ATOM 0 HB3 LYS A 59 7.340 10.727 -27.383 1.00 32.10 H new ATOM 0 HG2 LYS A 59 8.820 10.241 -29.937 1.00 31.42 H new ATOM 0 HG3 LYS A 59 7.616 9.054 -29.476 1.00 31.42 H new ATOM 0 HD2 LYS A 59 5.980 10.991 -29.148 1.00 41.12 H new ATOM 0 HD3 LYS A 59 7.186 12.039 -29.868 1.00 41.12 H new ATOM 0 HE2 LYS A 59 7.058 10.959 -31.975 1.00 61.54 H new ATOM 0 HE3 LYS A 59 6.315 9.522 -31.302 1.00 61.54 H new ATOM 0 HZ1 LYS A 59 4.707 10.866 -32.490 1.00 24.14 H new ATOM 0 HZ2 LYS A 59 4.309 10.809 -30.840 1.00 24.14 H new ATOM 0 HZ3 LYS A 59 5.029 12.202 -31.493 1.00 24.14 H new ATOM 965 N ILE A 60 9.170 12.776 -25.721 1.00 34.34 N ATOM 966 CA ILE A 60 8.732 13.954 -24.983 1.00 14.42 C ATOM 967 C ILE A 60 9.755 15.080 -25.084 1.00 4.45 C ATOM 968 O ILE A 60 9.417 16.210 -25.436 1.00 71.23 O ATOM 969 CB ILE A 60 8.489 13.628 -23.497 1.00 65.32 C ATOM 970 CG1 ILE A 60 7.239 12.760 -23.339 1.00 0.11 C ATOM 971 CG2 ILE A 60 8.357 14.910 -22.688 1.00 2.33 C ATOM 972 CD1 ILE A 60 6.888 12.463 -21.899 1.00 73.01 C ATOM 0 H ILE A 60 9.723 12.116 -25.173 1.00 34.34 H new ATOM 0 HA ILE A 60 7.794 14.278 -25.435 1.00 14.42 H new ATOM 0 HB ILE A 60 9.345 13.069 -23.119 1.00 65.32 H new ATOM 0 HG12 ILE A 60 6.396 13.262 -23.814 1.00 0.11 H new ATOM 0 HG13 ILE A 60 7.390 11.820 -23.869 1.00 0.11 H new ATOM 0 HG21 ILE A 60 8.186 14.663 -21.640 1.00 2.33 H new ATOM 0 HG22 ILE A 60 9.273 15.493 -22.778 1.00 2.33 H new ATOM 0 HG23 ILE A 60 7.517 15.493 -23.065 1.00 2.33 H new ATOM 0 HD11 ILE A 60 5.992 11.844 -21.863 1.00 73.01 H new ATOM 0 HD12 ILE A 60 7.714 11.933 -21.425 1.00 73.01 H new ATOM 0 HD13 ILE A 60 6.704 13.398 -21.369 1.00 73.01 H new ATOM 984 N LEU A 61 11.008 14.762 -24.778 1.00 2.20 N ATOM 985 CA LEU A 61 12.083 15.746 -24.836 1.00 33.44 C ATOM 986 C LEU A 61 12.298 16.233 -26.266 1.00 4.22 C ATOM 987 O LEU A 61 12.737 17.361 -26.490 1.00 60.53 O ATOM 988 CB LEU A 61 13.380 15.147 -24.289 1.00 73.33 C ATOM 989 CG LEU A 61 13.340 14.676 -22.835 1.00 73.32 C ATOM 990 CD1 LEU A 61 14.578 13.856 -22.505 1.00 10.31 C ATOM 991 CD2 LEU A 61 13.221 15.865 -21.892 1.00 54.02 C ATOM 0 H LEU A 61 11.304 13.830 -24.487 1.00 2.20 H new ATOM 0 HA LEU A 61 11.796 16.598 -24.220 1.00 33.44 H new ATOM 0 HB2 LEU A 61 13.659 14.301 -24.917 1.00 73.33 H new ATOM 0 HB3 LEU A 61 14.170 15.891 -24.387 1.00 73.33 H new ATOM 0 HG LEU A 61 12.463 14.043 -22.703 1.00 73.32 H new ATOM 0 HD11 LEU A 61 14.532 13.530 -21.466 1.00 10.31 H new ATOM 0 HD12 LEU A 61 14.622 12.984 -23.158 1.00 10.31 H new ATOM 0 HD13 LEU A 61 15.469 14.466 -22.654 1.00 10.31 H new ATOM 0 HD21 LEU A 61 13.194 15.511 -20.862 1.00 54.02 H new ATOM 0 HD22 LEU A 61 14.079 16.524 -22.027 1.00 54.02 H new ATOM 0 HD23 LEU A 61 12.305 16.413 -22.111 1.00 54.02 H new ATOM 1003 N THR A 62 11.983 15.375 -27.232 1.00 74.22 N ATOM 1004 CA THR A 62 12.140 15.717 -28.640 1.00 61.04 C ATOM 1005 C THR A 62 11.156 16.805 -29.054 1.00 43.42 C ATOM 1006 O THR A 62 11.507 17.725 -29.792 1.00 31.55 O ATOM 1007 CB THR A 62 11.939 14.487 -29.543 1.00 4.10 C ATOM 1008 OG1 THR A 62 12.401 14.770 -30.868 1.00 65.24 O ATOM 1009 CG2 THR A 62 10.473 14.083 -29.587 1.00 23.13 C ATOM 0 H THR A 62 11.617 14.438 -27.064 1.00 74.22 H new ATOM 0 HA THR A 62 13.158 16.086 -28.764 1.00 61.04 H new ATOM 0 HB THR A 62 12.516 13.661 -29.127 1.00 4.10 H new ATOM 0 HG1 THR A 62 12.271 13.982 -31.435 1.00 65.24 H new ATOM 0 HG21 THR A 62 10.355 13.212 -30.231 1.00 23.13 H new ATOM 0 HG22 THR A 62 10.132 13.839 -28.581 1.00 23.13 H new ATOM 0 HG23 THR A 62 9.880 14.908 -29.981 1.00 23.13 H new ATOM 1017 N VAL A 63 9.921 16.693 -28.575 1.00 63.44 N ATOM 1018 CA VAL A 63 8.886 17.669 -28.894 1.00 4.22 C ATOM 1019 C VAL A 63 9.098 18.967 -28.124 1.00 35.04 C ATOM 1020 O VAL A 63 8.977 20.059 -28.682 1.00 33.22 O ATOM 1021 CB VAL A 63 7.481 17.120 -28.578 1.00 63.21 C ATOM 1022 CG1 VAL A 63 6.428 18.197 -28.788 1.00 75.43 C ATOM 1023 CG2 VAL A 63 7.183 15.897 -29.432 1.00 71.03 C ATOM 0 H VAL A 63 9.613 15.936 -27.965 1.00 63.44 H new ATOM 0 HA VAL A 63 8.958 17.869 -29.963 1.00 4.22 H new ATOM 0 HB VAL A 63 7.454 16.819 -27.531 1.00 63.21 H new ATOM 0 HG11 VAL A 63 5.442 17.791 -28.560 1.00 75.43 H new ATOM 0 HG12 VAL A 63 6.634 19.041 -28.130 1.00 75.43 H new ATOM 0 HG13 VAL A 63 6.452 18.532 -29.825 1.00 75.43 H new ATOM 0 HG21 VAL A 63 6.187 15.522 -29.196 1.00 71.03 H new ATOM 0 HG22 VAL A 63 7.228 16.170 -30.486 1.00 71.03 H new ATOM 0 HG23 VAL A 63 7.921 15.121 -29.227 1.00 71.03 H new ATOM 1033 N LEU A 64 9.415 18.843 -26.841 1.00 62.11 N ATOM 1034 CA LEU A 64 9.645 20.007 -25.993 1.00 21.52 C ATOM 1035 C LEU A 64 11.012 20.623 -26.273 1.00 22.40 C ATOM 1036 O LEU A 64 11.297 21.744 -25.850 1.00 62.02 O ATOM 1037 CB LEU A 64 9.542 19.617 -24.518 1.00 44.31 C ATOM 1038 CG LEU A 64 8.316 18.791 -24.125 1.00 21.44 C ATOM 1039 CD1 LEU A 64 8.546 18.092 -22.795 1.00 73.34 C ATOM 1040 CD2 LEU A 64 7.078 19.674 -24.061 1.00 44.25 C ATOM 0 H LEU A 64 9.519 17.947 -26.364 1.00 62.11 H new ATOM 0 HA LEU A 64 8.879 20.748 -26.221 1.00 21.52 H new ATOM 0 HB2 LEU A 64 10.436 19.054 -24.249 1.00 44.31 H new ATOM 0 HB3 LEU A 64 9.547 20.529 -23.921 1.00 44.31 H new ATOM 0 HG LEU A 64 8.155 18.029 -24.887 1.00 21.44 H new ATOM 0 HD11 LEU A 64 7.663 17.510 -22.533 1.00 73.34 H new ATOM 0 HD12 LEU A 64 9.407 17.429 -22.877 1.00 73.34 H new ATOM 0 HD13 LEU A 64 8.733 18.836 -22.021 1.00 73.34 H new ATOM 0 HD21 LEU A 64 6.215 19.071 -23.780 1.00 44.25 H new ATOM 0 HD22 LEU A 64 7.229 20.459 -23.320 1.00 44.25 H new ATOM 0 HD23 LEU A 64 6.903 20.126 -25.037 1.00 44.25 H new ATOM 1052 N ASP A 65 11.852 19.885 -26.991 1.00 71.32 N ATOM 1053 CA ASP A 65 13.188 20.361 -27.331 1.00 11.01 C ATOM 1054 C ASP A 65 13.121 21.713 -28.035 1.00 41.40 C ATOM 1055 O ASP A 65 13.638 22.719 -27.550 1.00 10.10 O ATOM 1056 CB ASP A 65 13.904 19.343 -28.221 1.00 52.02 C ATOM 1057 CG ASP A 65 15.166 18.801 -27.580 1.00 2.41 C ATOM 1058 OD1 ASP A 65 15.102 18.377 -26.407 1.00 23.33 O ATOM 1059 OD2 ASP A 65 16.218 18.798 -28.253 1.00 73.21 O ATOM 0 H ASP A 65 11.632 18.956 -27.349 1.00 71.32 H new ATOM 0 HA ASP A 65 13.750 20.482 -26.405 1.00 11.01 H new ATOM 0 HB2 ASP A 65 13.228 18.517 -28.440 1.00 52.02 H new ATOM 0 HB3 ASP A 65 14.155 19.810 -29.173 1.00 52.02 H new ATOM 1064 N PRO A 66 12.470 21.738 -29.207 1.00 2.42 N ATOM 1065 CA PRO A 66 12.321 22.959 -30.004 1.00 54.20 C ATOM 1066 C PRO A 66 11.382 23.967 -29.349 1.00 11.42 C ATOM 1067 O PRO A 66 11.250 25.098 -29.814 1.00 34.01 O ATOM 1068 CB PRO A 66 11.727 22.453 -31.322 1.00 64.55 C ATOM 1069 CG PRO A 66 11.028 21.189 -30.960 1.00 3.14 C ATOM 1070 CD PRO A 66 11.830 20.576 -29.845 1.00 14.45 C ATOM 0 HA PRO A 66 13.267 23.487 -30.122 1.00 54.20 H new ATOM 0 HB2 PRO A 66 11.036 23.179 -31.750 1.00 64.55 H new ATOM 0 HB3 PRO A 66 12.505 22.277 -32.065 1.00 64.55 H new ATOM 0 HG2 PRO A 66 10.005 21.387 -30.641 1.00 3.14 H new ATOM 0 HG3 PRO A 66 10.971 20.516 -31.815 1.00 3.14 H new ATOM 0 HD2 PRO A 66 11.195 20.032 -29.145 1.00 14.45 H new ATOM 0 HD3 PRO A 66 12.568 19.868 -30.223 1.00 14.45 H new ATOM 1078 N MET A 67 10.732 23.548 -28.268 1.00 64.43 N ATOM 1079 CA MET A 67 9.807 24.416 -27.548 1.00 4.23 C ATOM 1080 C MET A 67 10.464 24.995 -26.299 1.00 24.45 C ATOM 1081 O MET A 67 9.951 25.938 -25.697 1.00 64.22 O ATOM 1082 CB MET A 67 8.545 23.642 -27.163 1.00 51.24 C ATOM 1083 CG MET A 67 7.716 23.197 -28.357 1.00 34.10 C ATOM 1084 SD MET A 67 6.604 24.488 -28.949 1.00 24.35 S ATOM 1085 CE MET A 67 5.884 23.683 -30.379 1.00 34.50 C ATOM 0 H MET A 67 10.829 22.613 -27.871 1.00 64.43 H new ATOM 0 HA MET A 67 9.533 25.240 -28.207 1.00 4.23 H new ATOM 0 HB2 MET A 67 8.830 22.765 -26.582 1.00 51.24 H new ATOM 0 HB3 MET A 67 7.929 24.267 -26.516 1.00 51.24 H new ATOM 0 HG2 MET A 67 8.382 22.897 -29.166 1.00 34.10 H new ATOM 0 HG3 MET A 67 7.133 22.318 -28.082 1.00 34.10 H new ATOM 0 HE1 MET A 67 5.172 24.357 -30.856 1.00 34.50 H new ATOM 0 HE2 MET A 67 6.672 23.427 -31.088 1.00 34.50 H new ATOM 0 HE3 MET A 67 5.370 22.775 -30.065 1.00 34.50 H new ATOM 1095 N VAL A 68 11.602 24.424 -25.916 1.00 51.11 N ATOM 1096 CA VAL A 68 12.329 24.885 -24.739 1.00 21.02 C ATOM 1097 C VAL A 68 12.505 26.399 -24.759 1.00 14.21 C ATOM 1098 O VAL A 68 12.079 27.110 -23.848 1.00 22.51 O ATOM 1099 CB VAL A 68 13.715 24.220 -24.640 1.00 63.12 C ATOM 1100 CG1 VAL A 68 14.698 25.139 -23.930 1.00 4.31 C ATOM 1101 CG2 VAL A 68 13.613 22.881 -23.926 1.00 4.44 C ATOM 0 H VAL A 68 12.040 23.642 -26.403 1.00 51.11 H new ATOM 0 HA VAL A 68 11.735 24.603 -23.870 1.00 21.02 H new ATOM 0 HB VAL A 68 14.086 24.040 -25.649 1.00 63.12 H new ATOM 0 HG11 VAL A 68 15.672 24.653 -23.869 1.00 4.31 H new ATOM 0 HG12 VAL A 68 14.792 26.071 -24.487 1.00 4.31 H new ATOM 0 HG13 VAL A 68 14.335 25.352 -22.924 1.00 4.31 H new ATOM 0 HG21 VAL A 68 14.601 22.425 -23.865 1.00 4.44 H new ATOM 0 HG22 VAL A 68 13.221 23.034 -22.920 1.00 4.44 H new ATOM 0 HG23 VAL A 68 12.944 22.223 -24.480 1.00 4.44 H new ATOM 1111 N PRO A 69 13.145 26.906 -25.823 1.00 73.44 N ATOM 1112 CA PRO A 69 13.390 28.342 -25.988 1.00 30.44 C ATOM 1113 C PRO A 69 12.109 29.121 -26.265 1.00 34.13 C ATOM 1114 O PRO A 69 11.918 30.225 -25.754 1.00 35.31 O ATOM 1115 CB PRO A 69 14.326 28.406 -27.198 1.00 11.53 C ATOM 1116 CG PRO A 69 14.036 27.163 -27.967 1.00 53.41 C ATOM 1117 CD PRO A 69 13.678 26.118 -26.946 1.00 62.02 C ATOM 0 HA PRO A 69 13.806 28.790 -25.086 1.00 30.44 H new ATOM 0 HB2 PRO A 69 14.137 29.296 -27.798 1.00 11.53 H new ATOM 0 HB3 PRO A 69 15.371 28.446 -26.889 1.00 11.53 H new ATOM 0 HG2 PRO A 69 13.216 27.320 -28.668 1.00 53.41 H new ATOM 0 HG3 PRO A 69 14.902 26.856 -28.553 1.00 53.41 H new ATOM 0 HD2 PRO A 69 12.938 25.417 -27.332 1.00 62.02 H new ATOM 0 HD3 PRO A 69 14.548 25.532 -26.649 1.00 62.02 H new ATOM 1125 N THR A 70 11.232 28.539 -27.078 1.00 73.41 N ATOM 1126 CA THR A 70 9.968 29.180 -27.423 1.00 24.14 C ATOM 1127 C THR A 70 8.844 28.704 -26.510 1.00 12.24 C ATOM 1128 O THR A 70 7.699 28.566 -26.940 1.00 74.45 O ATOM 1129 CB THR A 70 9.580 28.900 -28.887 1.00 74.32 C ATOM 1130 OG1 THR A 70 9.305 27.506 -29.064 1.00 62.31 O ATOM 1131 CG2 THR A 70 10.691 29.328 -29.833 1.00 4.21 C ATOM 0 H THR A 70 11.374 27.626 -27.509 1.00 73.41 H new ATOM 0 HA THR A 70 10.109 30.253 -27.291 1.00 24.14 H new ATOM 0 HB THR A 70 8.685 29.478 -29.119 1.00 74.32 H new ATOM 0 HG1 THR A 70 10.130 27.038 -29.310 1.00 62.31 H new ATOM 0 HG21 THR A 70 10.394 29.120 -30.861 1.00 4.21 H new ATOM 0 HG22 THR A 70 10.876 30.396 -29.717 1.00 4.21 H new ATOM 0 HG23 THR A 70 11.601 28.775 -29.600 1.00 4.21 H new ATOM 1139 N GLY A 71 9.177 28.454 -25.248 1.00 72.31 N ATOM 1140 CA GLY A 71 8.183 27.998 -24.294 1.00 4.15 C ATOM 1141 C GLY A 71 8.358 28.628 -22.927 1.00 21.23 C ATOM 1142 O GLY A 71 9.471 28.983 -22.538 1.00 33.32 O ATOM 0 H GLY A 71 10.118 28.559 -24.869 1.00 72.31 H new ATOM 0 HA2 GLY A 71 7.188 28.230 -24.673 1.00 4.15 H new ATOM 0 HA3 GLY A 71 8.244 26.914 -24.201 1.00 4.15 H new ATOM 1146 N SER A 72 7.257 28.769 -22.197 1.00 65.24 N ATOM 1147 CA SER A 72 7.292 29.366 -20.866 1.00 25.54 C ATOM 1148 C SER A 72 7.789 28.360 -19.833 1.00 23.20 C ATOM 1149 O SER A 72 7.956 27.178 -20.132 1.00 54.20 O ATOM 1150 CB SER A 72 5.904 29.874 -20.475 1.00 53.52 C ATOM 1151 OG SER A 72 5.192 28.895 -19.738 1.00 43.12 O ATOM 0 H SER A 72 6.329 28.478 -22.504 1.00 65.24 H new ATOM 0 HA SER A 72 7.984 30.207 -20.890 1.00 25.54 H new ATOM 0 HB2 SER A 72 6.000 30.783 -19.881 1.00 53.52 H new ATOM 0 HB3 SER A 72 5.344 30.137 -21.372 1.00 53.52 H new ATOM 0 HG SER A 72 4.951 29.258 -18.860 1.00 43.12 H new ATOM 1157 N GLU A 73 8.025 28.840 -18.615 1.00 22.03 N ATOM 1158 CA GLU A 73 8.504 27.983 -17.537 1.00 43.40 C ATOM 1159 C GLU A 73 7.637 26.733 -17.410 1.00 3.21 C ATOM 1160 O GLU A 73 8.129 25.656 -17.074 1.00 74.24 O ATOM 1161 CB GLU A 73 8.511 28.749 -16.212 1.00 14.02 C ATOM 1162 CG GLU A 73 9.717 29.656 -16.040 1.00 20.54 C ATOM 1163 CD GLU A 73 9.387 31.117 -16.277 1.00 14.41 C ATOM 1164 OE1 GLU A 73 9.161 31.492 -17.446 1.00 22.35 O ATOM 1165 OE2 GLU A 73 9.353 31.885 -15.293 1.00 73.12 O ATOM 0 H GLU A 73 7.892 29.816 -18.351 1.00 22.03 H new ATOM 0 HA GLU A 73 9.522 27.676 -17.776 1.00 43.40 H new ATOM 0 HB2 GLU A 73 7.603 29.349 -16.144 1.00 14.02 H new ATOM 0 HB3 GLU A 73 8.484 28.035 -15.389 1.00 14.02 H new ATOM 0 HG2 GLU A 73 10.116 29.536 -15.033 1.00 20.54 H new ATOM 0 HG3 GLU A 73 10.501 29.347 -16.732 1.00 20.54 H new ATOM 1172 N ASN A 74 6.345 26.886 -17.680 1.00 1.13 N ATOM 1173 CA ASN A 74 5.410 25.771 -17.596 1.00 53.53 C ATOM 1174 C ASN A 74 5.950 24.549 -18.332 1.00 20.43 C ATOM 1175 O ASN A 74 5.682 23.410 -17.949 1.00 42.32 O ATOM 1176 CB ASN A 74 4.052 26.171 -18.177 1.00 32.03 C ATOM 1177 CG ASN A 74 3.452 27.372 -17.472 1.00 64.24 C ATOM 1178 OD1 ASN A 74 4.073 28.433 -17.392 1.00 73.02 O ATOM 1179 ND2 ASN A 74 2.240 27.210 -16.955 1.00 14.13 N ATOM 0 H ASN A 74 5.922 27.771 -17.959 1.00 1.13 H new ATOM 0 HA ASN A 74 5.286 25.513 -16.544 1.00 53.53 H new ATOM 0 HB2 ASN A 74 4.166 26.395 -19.238 1.00 32.03 H new ATOM 0 HB3 ASN A 74 3.365 25.328 -18.101 1.00 32.03 H new ATOM 0 HD21 ASN A 74 1.786 27.982 -16.468 1.00 14.13 H new ATOM 0 HD22 ASN A 74 1.763 26.313 -17.045 1.00 14.13 H new ATOM 1186 N LEU A 75 6.714 24.794 -19.391 1.00 0.25 N ATOM 1187 CA LEU A 75 7.294 23.715 -20.182 1.00 43.22 C ATOM 1188 C LEU A 75 8.702 23.381 -19.698 1.00 53.31 C ATOM 1189 O LEU A 75 8.968 22.264 -19.253 1.00 71.40 O ATOM 1190 CB LEU A 75 7.330 24.102 -21.662 1.00 71.33 C ATOM 1191 CG LEU A 75 7.357 22.944 -22.659 1.00 44.44 C ATOM 1192 CD1 LEU A 75 6.017 22.817 -23.367 1.00 74.32 C ATOM 1193 CD2 LEU A 75 8.480 23.134 -23.667 1.00 5.54 C ATOM 0 H LEU A 75 6.946 25.731 -19.721 1.00 0.25 H new ATOM 0 HA LEU A 75 6.668 22.831 -20.059 1.00 43.22 H new ATOM 0 HB2 LEU A 75 6.458 24.719 -21.877 1.00 71.33 H new ATOM 0 HB3 LEU A 75 8.210 24.723 -21.833 1.00 71.33 H new ATOM 0 HG LEU A 75 7.542 22.021 -22.109 1.00 44.44 H new ATOM 0 HD11 LEU A 75 6.056 21.987 -24.073 1.00 74.32 H new ATOM 0 HD12 LEU A 75 5.233 22.632 -22.632 1.00 74.32 H new ATOM 0 HD13 LEU A 75 5.800 23.740 -23.904 1.00 74.32 H new ATOM 0 HD21 LEU A 75 8.484 22.300 -24.369 1.00 5.54 H new ATOM 0 HD22 LEU A 75 8.326 24.066 -24.211 1.00 5.54 H new ATOM 0 HD23 LEU A 75 9.436 23.173 -23.144 1.00 5.54 H new ATOM 1205 N LYS A 76 9.599 24.356 -19.786 1.00 74.15 N ATOM 1206 CA LYS A 76 10.980 24.169 -19.354 1.00 53.34 C ATOM 1207 C LYS A 76 11.037 23.403 -18.036 1.00 45.51 C ATOM 1208 O LYS A 76 11.923 22.574 -17.826 1.00 31.43 O ATOM 1209 CB LYS A 76 11.676 25.523 -19.200 1.00 40.34 C ATOM 1210 CG LYS A 76 11.848 26.270 -20.511 1.00 1.54 C ATOM 1211 CD LYS A 76 12.746 27.485 -20.346 1.00 21.33 C ATOM 1212 CE LYS A 76 12.263 28.653 -21.192 1.00 24.52 C ATOM 1213 NZ LYS A 76 11.571 29.684 -20.372 1.00 70.50 N ATOM 0 H LYS A 76 9.395 25.286 -20.153 1.00 74.15 H new ATOM 0 HA LYS A 76 11.498 23.587 -20.116 1.00 53.34 H new ATOM 0 HB2 LYS A 76 11.101 26.142 -18.512 1.00 40.34 H new ATOM 0 HB3 LYS A 76 12.656 25.369 -18.748 1.00 40.34 H new ATOM 0 HG2 LYS A 76 12.273 25.601 -21.259 1.00 1.54 H new ATOM 0 HG3 LYS A 76 10.873 26.585 -20.882 1.00 1.54 H new ATOM 0 HD2 LYS A 76 12.772 27.780 -19.297 1.00 21.33 H new ATOM 0 HD3 LYS A 76 13.766 27.226 -20.629 1.00 21.33 H new ATOM 0 HE2 LYS A 76 13.112 29.106 -21.704 1.00 24.52 H new ATOM 0 HE3 LYS A 76 11.585 28.287 -21.963 1.00 24.52 H new ATOM 0 HZ1 LYS A 76 11.257 30.463 -20.986 1.00 70.50 H new ATOM 0 HZ2 LYS A 76 10.746 29.259 -19.904 1.00 70.50 H new ATOM 0 HZ3 LYS A 76 12.226 30.052 -19.653 1.00 70.50 H new ATOM 1227 N SER A 77 10.087 23.685 -17.150 1.00 42.20 N ATOM 1228 CA SER A 77 10.031 23.023 -15.852 1.00 72.33 C ATOM 1229 C SER A 77 9.973 21.508 -16.015 1.00 2.23 C ATOM 1230 O SER A 77 10.824 20.782 -15.499 1.00 31.02 O ATOM 1231 CB SER A 77 8.816 23.509 -15.060 1.00 61.41 C ATOM 1232 OG SER A 77 9.144 24.633 -14.260 1.00 1.22 O ATOM 0 H SER A 77 9.346 24.368 -17.308 1.00 42.20 H new ATOM 0 HA SER A 77 10.939 23.277 -15.304 1.00 72.33 H new ATOM 0 HB2 SER A 77 8.011 23.770 -15.747 1.00 61.41 H new ATOM 0 HB3 SER A 77 8.445 22.703 -14.426 1.00 61.41 H new ATOM 0 HG SER A 77 8.350 24.925 -13.765 1.00 1.22 H new ATOM 1238 N LEU A 78 8.962 21.036 -16.737 1.00 32.30 N ATOM 1239 CA LEU A 78 8.790 19.606 -16.971 1.00 60.44 C ATOM 1240 C LEU A 78 9.953 19.044 -17.781 1.00 5.21 C ATOM 1241 O LEU A 78 10.467 17.965 -17.483 1.00 14.22 O ATOM 1242 CB LEU A 78 7.471 19.343 -17.699 1.00 73.51 C ATOM 1243 CG LEU A 78 7.221 17.899 -18.133 1.00 1.33 C ATOM 1244 CD1 LEU A 78 6.905 17.026 -16.928 1.00 71.13 C ATOM 1245 CD2 LEU A 78 6.090 17.835 -19.150 1.00 63.13 C ATOM 0 H LEU A 78 8.249 21.623 -17.170 1.00 32.30 H new ATOM 0 HA LEU A 78 8.769 19.104 -16.004 1.00 60.44 H new ATOM 0 HB2 LEU A 78 6.652 19.653 -17.049 1.00 73.51 H new ATOM 0 HB3 LEU A 78 7.434 19.979 -18.584 1.00 73.51 H new ATOM 0 HG LEU A 78 8.128 17.520 -18.603 1.00 1.33 H new ATOM 0 HD11 LEU A 78 6.730 16.002 -17.257 1.00 71.13 H new ATOM 0 HD12 LEU A 78 7.745 17.046 -16.234 1.00 71.13 H new ATOM 0 HD13 LEU A 78 6.013 17.404 -16.429 1.00 71.13 H new ATOM 0 HD21 LEU A 78 5.926 16.799 -19.447 1.00 63.13 H new ATOM 0 HD22 LEU A 78 5.178 18.233 -18.705 1.00 63.13 H new ATOM 0 HD23 LEU A 78 6.355 18.427 -20.026 1.00 63.13 H new ATOM 1257 N PHE A 79 10.366 19.782 -18.807 1.00 71.22 N ATOM 1258 CA PHE A 79 11.469 19.357 -19.659 1.00 2.02 C ATOM 1259 C PHE A 79 12.690 18.982 -18.824 1.00 71.51 C ATOM 1260 O PHE A 79 13.422 18.053 -19.158 1.00 25.12 O ATOM 1261 CB PHE A 79 11.834 20.467 -20.648 1.00 61.31 C ATOM 1262 CG PHE A 79 12.876 20.059 -21.650 1.00 43.51 C ATOM 1263 CD1 PHE A 79 12.581 19.130 -22.636 1.00 75.42 C ATOM 1264 CD2 PHE A 79 14.149 20.602 -21.606 1.00 64.21 C ATOM 1265 CE1 PHE A 79 13.536 18.753 -23.561 1.00 44.04 C ATOM 1266 CE2 PHE A 79 15.109 20.228 -22.528 1.00 71.23 C ATOM 1267 CZ PHE A 79 14.803 19.302 -23.506 1.00 74.00 C ATOM 0 H PHE A 79 9.953 20.677 -19.068 1.00 71.22 H new ATOM 0 HA PHE A 79 11.147 18.476 -20.214 1.00 2.02 H new ATOM 0 HB2 PHE A 79 10.935 20.780 -21.178 1.00 61.31 H new ATOM 0 HB3 PHE A 79 12.195 21.333 -20.093 1.00 61.31 H new ATOM 0 HD1 PHE A 79 11.593 18.696 -22.682 1.00 75.42 H new ATOM 0 HD2 PHE A 79 14.395 21.326 -20.843 1.00 64.21 H new ATOM 0 HE1 PHE A 79 13.293 18.030 -24.326 1.00 44.04 H new ATOM 0 HE2 PHE A 79 16.098 20.660 -22.483 1.00 71.23 H new ATOM 0 HZ PHE A 79 15.552 19.008 -24.226 1.00 74.00 H new ATOM 1277 N ASN A 80 12.902 19.716 -17.736 1.00 24.32 N ATOM 1278 CA ASN A 80 14.034 19.462 -16.852 1.00 32.30 C ATOM 1279 C ASN A 80 13.861 18.140 -16.112 1.00 74.32 C ATOM 1280 O ASN A 80 14.828 17.414 -15.877 1.00 33.23 O ATOM 1281 CB ASN A 80 14.190 20.606 -15.848 1.00 42.10 C ATOM 1282 CG ASN A 80 15.300 21.565 -16.232 1.00 61.40 C ATOM 1283 OD1 ASN A 80 16.017 22.071 -15.234 1.00 31.24 O flip ATOM 1284 ND2 ASN A 80 15.510 21.849 -17.411 1.00 1.42 N flip ATOM 0 H ASN A 80 12.305 20.491 -17.446 1.00 24.32 H new ATOM 0 HA ASN A 80 14.934 19.399 -17.464 1.00 32.30 H new ATOM 0 HB2 ASN A 80 13.250 21.153 -15.776 1.00 42.10 H new ATOM 0 HB3 ASN A 80 14.396 20.193 -14.860 1.00 42.10 H new ATOM 0 HD21 ASN A 80 14.934 21.437 -18.145 1.00 1.42 H new ATOM 0 HD22 ASN A 80 16.260 22.497 -17.654 1.00 1.42 H new ATOM 1291 N THR A 81 12.621 17.831 -15.745 1.00 72.21 N ATOM 1292 CA THR A 81 12.320 16.598 -15.030 1.00 44.43 C ATOM 1293 C THR A 81 12.328 15.400 -15.973 1.00 34.15 C ATOM 1294 O THR A 81 12.762 14.309 -15.604 1.00 2.10 O ATOM 1295 CB THR A 81 10.951 16.675 -14.328 1.00 43.15 C ATOM 1296 OG1 THR A 81 10.884 17.851 -13.515 1.00 14.31 O ATOM 1297 CG2 THR A 81 10.714 15.443 -13.467 1.00 31.13 C ATOM 0 H THR A 81 11.809 18.419 -15.932 1.00 72.21 H new ATOM 0 HA THR A 81 13.099 16.471 -14.278 1.00 44.43 H new ATOM 0 HB THR A 81 10.176 16.718 -15.094 1.00 43.15 H new ATOM 0 HG1 THR A 81 10.010 17.894 -13.073 1.00 14.31 H new ATOM 0 HG21 THR A 81 9.741 15.520 -12.981 1.00 31.13 H new ATOM 0 HG22 THR A 81 10.737 14.551 -14.093 1.00 31.13 H new ATOM 0 HG23 THR A 81 11.494 15.374 -12.708 1.00 31.13 H new ATOM 1305 N VAL A 82 11.845 15.612 -17.194 1.00 4.43 N ATOM 1306 CA VAL A 82 11.798 14.549 -18.191 1.00 25.34 C ATOM 1307 C VAL A 82 13.201 14.074 -18.555 1.00 21.52 C ATOM 1308 O VAL A 82 13.429 12.883 -18.770 1.00 41.01 O ATOM 1309 CB VAL A 82 11.077 15.012 -19.471 1.00 40.03 C ATOM 1310 CG1 VAL A 82 11.077 13.906 -20.515 1.00 43.52 C ATOM 1311 CG2 VAL A 82 9.657 15.455 -19.151 1.00 71.11 C ATOM 0 H VAL A 82 11.481 16.509 -17.516 1.00 4.43 H new ATOM 0 HA VAL A 82 11.242 13.723 -17.747 1.00 25.34 H new ATOM 0 HB VAL A 82 11.616 15.866 -19.882 1.00 40.03 H new ATOM 0 HG11 VAL A 82 10.563 14.252 -21.412 1.00 43.52 H new ATOM 0 HG12 VAL A 82 12.104 13.641 -20.765 1.00 43.52 H new ATOM 0 HG13 VAL A 82 10.563 13.031 -20.118 1.00 43.52 H new ATOM 0 HG21 VAL A 82 9.162 15.779 -20.066 1.00 71.11 H new ATOM 0 HG22 VAL A 82 9.105 14.622 -18.715 1.00 71.11 H new ATOM 0 HG23 VAL A 82 9.685 16.282 -18.442 1.00 71.11 H new ATOM 1321 N CYS A 83 14.139 15.014 -18.623 1.00 35.02 N ATOM 1322 CA CYS A 83 15.520 14.692 -18.962 1.00 10.10 C ATOM 1323 C CYS A 83 16.117 13.723 -17.946 1.00 34.42 C ATOM 1324 O CYS A 83 16.944 12.879 -18.290 1.00 10.32 O ATOM 1325 CB CYS A 83 16.362 15.967 -19.024 1.00 33.32 C ATOM 1326 SG CYS A 83 16.332 16.794 -20.632 1.00 21.03 S ATOM 0 H CYS A 83 13.967 16.004 -18.448 1.00 35.02 H new ATOM 0 HA CYS A 83 15.526 14.213 -19.941 1.00 10.10 H new ATOM 0 HB2 CYS A 83 16.006 16.662 -18.263 1.00 33.32 H new ATOM 0 HB3 CYS A 83 17.394 15.721 -18.773 1.00 33.32 H new ATOM 0 HG CYS A 83 15.856 17.996 -20.493 1.00 21.03 H new ATOM 1332 N VAL A 84 15.694 13.853 -16.693 1.00 40.14 N ATOM 1333 CA VAL A 84 16.187 12.990 -15.627 1.00 62.15 C ATOM 1334 C VAL A 84 15.603 11.586 -15.741 1.00 52.03 C ATOM 1335 O VAL A 84 16.296 10.594 -15.517 1.00 31.21 O ATOM 1336 CB VAL A 84 15.848 13.564 -14.238 1.00 45.23 C ATOM 1337 CG1 VAL A 84 16.376 12.653 -13.140 1.00 44.14 C ATOM 1338 CG2 VAL A 84 16.409 14.970 -14.091 1.00 23.00 C ATOM 0 H VAL A 84 15.011 14.548 -16.391 1.00 40.14 H new ATOM 0 HA VAL A 84 17.270 12.939 -15.737 1.00 62.15 H new ATOM 0 HB VAL A 84 14.764 13.618 -14.142 1.00 45.23 H new ATOM 0 HG11 VAL A 84 16.127 13.075 -12.166 1.00 44.14 H new ATOM 0 HG12 VAL A 84 15.921 11.667 -13.235 1.00 44.14 H new ATOM 0 HG13 VAL A 84 17.459 12.564 -13.231 1.00 44.14 H new ATOM 0 HG21 VAL A 84 16.160 15.360 -13.104 1.00 23.00 H new ATOM 0 HG22 VAL A 84 17.492 14.944 -14.208 1.00 23.00 H new ATOM 0 HG23 VAL A 84 15.977 15.616 -14.856 1.00 23.00 H new ATOM 1348 N ILE A 85 14.324 11.511 -16.091 1.00 14.24 N ATOM 1349 CA ILE A 85 13.646 10.229 -16.237 1.00 11.12 C ATOM 1350 C ILE A 85 14.287 9.391 -17.339 1.00 54.33 C ATOM 1351 O ILE A 85 14.643 8.233 -17.123 1.00 64.45 O ATOM 1352 CB ILE A 85 12.151 10.415 -16.554 1.00 54.42 C ATOM 1353 CG1 ILE A 85 11.447 11.131 -15.399 1.00 50.55 C ATOM 1354 CG2 ILE A 85 11.495 9.069 -16.828 1.00 61.14 C ATOM 1355 CD1 ILE A 85 11.110 10.220 -14.239 1.00 1.12 C ATOM 0 H ILE A 85 13.736 12.323 -16.279 1.00 14.24 H new ATOM 0 HA ILE A 85 13.745 9.710 -15.284 1.00 11.12 H new ATOM 0 HB ILE A 85 12.059 11.031 -17.449 1.00 54.42 H new ATOM 0 HG12 ILE A 85 12.084 11.940 -15.042 1.00 50.55 H new ATOM 0 HG13 ILE A 85 10.530 11.588 -15.770 1.00 50.55 H new ATOM 0 HG21 ILE A 85 10.438 9.218 -17.050 1.00 61.14 H new ATOM 0 HG22 ILE A 85 11.982 8.594 -17.680 1.00 61.14 H new ATOM 0 HG23 ILE A 85 11.595 8.430 -15.950 1.00 61.14 H new ATOM 0 HD11 ILE A 85 10.613 10.795 -13.457 1.00 1.12 H new ATOM 0 HD12 ILE A 85 10.448 9.425 -14.581 1.00 1.12 H new ATOM 0 HD13 ILE A 85 12.026 9.783 -13.841 1.00 1.12 H new ATOM 1367 N TRP A 86 14.429 9.984 -18.518 1.00 24.14 N ATOM 1368 CA TRP A 86 15.030 9.293 -19.654 1.00 41.20 C ATOM 1369 C TRP A 86 16.442 8.825 -19.322 1.00 31.50 C ATOM 1370 O TRP A 86 16.838 7.714 -19.677 1.00 32.31 O ATOM 1371 CB TRP A 86 15.057 10.208 -20.878 1.00 31.12 C ATOM 1372 CG TRP A 86 15.624 9.550 -22.100 1.00 74.04 C ATOM 1373 CD1 TRP A 86 14.935 8.846 -23.046 1.00 72.12 C ATOM 1374 CD2 TRP A 86 16.997 9.533 -22.505 1.00 11.14 C ATOM 1375 NE1 TRP A 86 15.797 8.392 -24.015 1.00 61.42 N ATOM 1376 CE2 TRP A 86 17.068 8.801 -23.706 1.00 15.31 C ATOM 1377 CE3 TRP A 86 18.173 10.067 -21.971 1.00 54.40 C ATOM 1378 CZ2 TRP A 86 18.268 8.591 -24.379 1.00 3.30 C ATOM 1379 CZ3 TRP A 86 19.363 9.856 -22.641 1.00 70.05 C ATOM 1380 CH2 TRP A 86 19.404 9.124 -23.834 1.00 53.22 C ATOM 0 H TRP A 86 14.137 10.941 -18.713 1.00 24.14 H new ATOM 0 HA TRP A 86 14.421 8.417 -19.878 1.00 41.20 H new ATOM 0 HB2 TRP A 86 14.043 10.545 -21.093 1.00 31.12 H new ATOM 0 HB3 TRP A 86 15.645 11.096 -20.646 1.00 31.12 H new ATOM 0 HD1 TRP A 86 13.869 8.672 -23.034 1.00 72.12 H new ATOM 0 HE1 TRP A 86 15.534 7.840 -24.832 1.00 61.42 H new ATOM 0 HE3 TRP A 86 18.152 10.634 -21.052 1.00 54.40 H new ATOM 0 HZ2 TRP A 86 18.301 8.027 -25.299 1.00 3.30 H new ATOM 0 HZ3 TRP A 86 20.278 10.263 -22.237 1.00 70.05 H new ATOM 0 HH2 TRP A 86 20.350 8.977 -24.333 1.00 53.22 H new ATOM 1391 N CYS A 87 17.198 9.677 -18.639 1.00 72.35 N ATOM 1392 CA CYS A 87 18.568 9.351 -18.259 1.00 22.04 C ATOM 1393 C CYS A 87 18.608 8.097 -17.392 1.00 2.22 C ATOM 1394 O CYS A 87 19.338 7.150 -17.687 1.00 41.43 O ATOM 1395 CB CYS A 87 19.205 10.523 -17.510 1.00 2.25 C ATOM 1396 SG CYS A 87 20.133 11.658 -18.570 1.00 42.42 S ATOM 0 H CYS A 87 16.885 10.600 -18.337 1.00 72.35 H new ATOM 0 HA CYS A 87 19.135 9.160 -19.170 1.00 22.04 H new ATOM 0 HB2 CYS A 87 18.422 11.081 -16.996 1.00 2.25 H new ATOM 0 HB3 CYS A 87 19.873 10.131 -16.743 1.00 2.25 H new ATOM 0 HG CYS A 87 20.087 12.856 -18.068 1.00 42.42 H new ATOM 1402 N ILE A 88 17.819 8.097 -16.323 1.00 72.11 N ATOM 1403 CA ILE A 88 17.765 6.959 -15.413 1.00 35.34 C ATOM 1404 C ILE A 88 17.552 5.656 -16.176 1.00 33.11 C ATOM 1405 O ILE A 88 18.139 4.627 -15.842 1.00 23.15 O ATOM 1406 CB ILE A 88 16.641 7.123 -14.374 1.00 30.32 C ATOM 1407 CG1 ILE A 88 16.874 8.378 -13.531 1.00 30.33 C ATOM 1408 CG2 ILE A 88 16.557 5.890 -13.486 1.00 34.25 C ATOM 1409 CD1 ILE A 88 15.599 8.996 -12.999 1.00 0.24 C ATOM 0 H ILE A 88 17.208 8.872 -16.066 1.00 72.11 H new ATOM 0 HA ILE A 88 18.724 6.922 -14.896 1.00 35.34 H new ATOM 0 HB ILE A 88 15.693 7.233 -14.901 1.00 30.32 H new ATOM 0 HG12 ILE A 88 17.523 8.127 -12.692 1.00 30.33 H new ATOM 0 HG13 ILE A 88 17.402 9.117 -14.133 1.00 30.33 H new ATOM 0 HG21 ILE A 88 15.758 6.021 -12.756 1.00 34.25 H new ATOM 0 HG22 ILE A 88 16.349 5.013 -14.099 1.00 34.25 H new ATOM 0 HG23 ILE A 88 17.504 5.751 -12.965 1.00 34.25 H new ATOM 0 HD11 ILE A 88 15.842 9.881 -12.411 1.00 0.24 H new ATOM 0 HD12 ILE A 88 14.956 9.279 -13.833 1.00 0.24 H new ATOM 0 HD13 ILE A 88 15.080 8.273 -12.370 1.00 0.24 H new ATOM 1421 N HIS A 89 16.709 5.708 -17.202 1.00 74.03 N ATOM 1422 CA HIS A 89 16.419 4.532 -18.015 1.00 42.41 C ATOM 1423 C HIS A 89 17.514 4.307 -19.054 1.00 12.10 C ATOM 1424 O HIS A 89 17.794 3.143 -19.338 1.00 71.22 O ATOM 1425 CB HIS A 89 15.066 4.686 -18.710 1.00 13.01 C ATOM 1426 CG HIS A 89 13.910 4.767 -17.760 1.00 62.22 C ATOM 1427 ND1 HIS A 89 13.882 4.105 -16.550 1.00 21.01 N ATOM 1428 CD2 HIS A 89 12.739 5.439 -17.845 1.00 32.24 C ATOM 1429 CE1 HIS A 89 12.743 4.366 -15.934 1.00 21.15 C ATOM 1430 NE2 HIS A 89 12.031 5.174 -16.699 1.00 24.55 N ATOM 0 H HIS A 89 16.214 6.552 -17.490 1.00 74.03 H new ATOM 0 HA HIS A 89 16.383 3.665 -17.355 1.00 42.41 H new ATOM 0 HB2 HIS A 89 15.083 5.585 -19.326 1.00 13.01 H new ATOM 0 HB3 HIS A 89 14.914 3.842 -19.383 1.00 13.01 H new ATOM 0 HD2 HIS A 89 12.420 6.068 -18.663 1.00 32.24 H new ATOM 0 HE1 HIS A 89 12.445 3.984 -14.969 1.00 21.15 H new ATOM 0 HE2 HIS A 89 11.106 5.541 -16.475 1.00 24.55 H new ATOM 1438 N ALA A 90 18.119 5.353 -19.608 1.00 21.54 N ATOM 1439 CA ALA A 90 19.171 5.188 -20.603 1.00 62.04 C ATOM 1440 C ALA A 90 20.502 4.841 -19.943 1.00 71.35 C ATOM 1441 O ALA A 90 21.528 4.733 -20.612 1.00 1.44 O ATOM 1442 CB ALA A 90 19.309 6.450 -21.441 1.00 54.02 C ATOM 0 H ALA A 90 17.898 6.323 -19.384 1.00 21.54 H new ATOM 0 HA ALA A 90 18.892 4.361 -21.256 1.00 62.04 H new ATOM 0 HB1 ALA A 90 20.098 6.312 -22.180 1.00 54.02 H new ATOM 0 HB2 ALA A 90 18.367 6.653 -21.950 1.00 54.02 H new ATOM 0 HB3 ALA A 90 19.561 7.291 -20.794 1.00 54.02 H new ATOM 1448 N GLU A 91 20.476 4.671 -18.624 1.00 45.24 N ATOM 1449 CA GLU A 91 21.682 4.338 -17.874 1.00 12.40 C ATOM 1450 C GLU A 91 22.723 5.447 -17.998 1.00 72.20 C ATOM 1451 O GLU A 91 23.892 5.185 -18.278 1.00 52.11 O ATOM 1452 CB GLU A 91 22.268 3.015 -18.369 1.00 41.23 C ATOM 1453 CG GLU A 91 21.423 1.804 -18.013 1.00 41.54 C ATOM 1454 CD GLU A 91 22.257 0.560 -17.772 1.00 64.31 C ATOM 1455 OE1 GLU A 91 23.152 0.278 -18.597 1.00 73.50 O ATOM 1456 OE2 GLU A 91 22.016 -0.131 -16.760 1.00 1.15 O ATOM 0 H GLU A 91 19.635 4.758 -18.054 1.00 45.24 H new ATOM 0 HA GLU A 91 21.409 4.235 -16.824 1.00 12.40 H new ATOM 0 HB2 GLU A 91 22.384 3.061 -19.452 1.00 41.23 H new ATOM 0 HB3 GLU A 91 23.265 2.889 -17.947 1.00 41.23 H new ATOM 0 HG2 GLU A 91 20.839 2.024 -17.120 1.00 41.54 H new ATOM 0 HG3 GLU A 91 20.714 1.611 -18.818 1.00 41.54 H new ATOM 1463 N GLU A 92 22.288 6.686 -17.788 1.00 0.51 N ATOM 1464 CA GLU A 92 23.182 7.834 -17.879 1.00 55.45 C ATOM 1465 C GLU A 92 23.398 8.464 -16.506 1.00 15.21 C ATOM 1466 O GLU A 92 22.452 8.922 -15.864 1.00 21.41 O ATOM 1467 CB GLU A 92 22.615 8.874 -18.846 1.00 20.45 C ATOM 1468 CG GLU A 92 22.794 8.505 -20.310 1.00 72.43 C ATOM 1469 CD GLU A 92 24.161 8.885 -20.844 1.00 63.24 C ATOM 1470 OE1 GLU A 92 25.145 8.785 -20.082 1.00 65.11 O ATOM 1471 OE2 GLU A 92 24.247 9.282 -22.025 1.00 33.32 O ATOM 0 H GLU A 92 21.323 6.920 -17.554 1.00 0.51 H new ATOM 0 HA GLU A 92 24.144 7.485 -18.255 1.00 55.45 H new ATOM 0 HB2 GLU A 92 21.553 9.008 -18.641 1.00 20.45 H new ATOM 0 HB3 GLU A 92 23.099 9.833 -18.660 1.00 20.45 H new ATOM 0 HG2 GLU A 92 22.646 7.432 -20.431 1.00 72.43 H new ATOM 0 HG3 GLU A 92 22.026 9.001 -20.903 1.00 72.43 H new ATOM 1478 N LYS A 93 24.650 8.483 -16.061 1.00 52.02 N ATOM 1479 CA LYS A 93 24.992 9.057 -14.765 1.00 71.34 C ATOM 1480 C LYS A 93 24.850 10.576 -14.788 1.00 54.45 C ATOM 1481 O LYS A 93 25.495 11.258 -15.583 1.00 51.14 O ATOM 1482 CB LYS A 93 26.423 8.675 -14.377 1.00 42.32 C ATOM 1483 CG LYS A 93 26.576 7.216 -13.980 1.00 74.14 C ATOM 1484 CD LYS A 93 27.893 6.640 -14.470 1.00 34.43 C ATOM 1485 CE LYS A 93 27.783 6.138 -15.902 1.00 34.11 C ATOM 1486 NZ LYS A 93 29.117 5.828 -16.486 1.00 41.35 N ATOM 0 H LYS A 93 25.445 8.107 -16.579 1.00 52.02 H new ATOM 0 HA LYS A 93 24.301 8.656 -14.024 1.00 71.34 H new ATOM 0 HB2 LYS A 93 27.087 8.886 -15.215 1.00 42.32 H new ATOM 0 HB3 LYS A 93 26.746 9.304 -13.548 1.00 42.32 H new ATOM 0 HG2 LYS A 93 26.519 7.125 -12.895 1.00 74.14 H new ATOM 0 HG3 LYS A 93 25.749 6.637 -14.392 1.00 74.14 H new ATOM 0 HD2 LYS A 93 28.670 7.402 -14.409 1.00 34.43 H new ATOM 0 HD3 LYS A 93 28.198 5.821 -13.819 1.00 34.43 H new ATOM 0 HE2 LYS A 93 27.160 5.244 -15.926 1.00 34.11 H new ATOM 0 HE3 LYS A 93 27.285 6.891 -16.513 1.00 34.11 H new ATOM 0 HZ1 LYS A 93 28.998 5.489 -17.462 1.00 41.35 H new ATOM 0 HZ2 LYS A 93 29.704 6.687 -16.486 1.00 41.35 H new ATOM 0 HZ3 LYS A 93 29.582 5.091 -15.918 1.00 41.35 H new ATOM 1500 N VAL A 94 24.001 11.099 -13.908 1.00 73.11 N ATOM 1501 CA VAL A 94 23.776 12.537 -13.826 1.00 1.33 C ATOM 1502 C VAL A 94 23.872 13.027 -12.385 1.00 23.11 C ATOM 1503 O VAL A 94 23.289 12.436 -11.477 1.00 51.23 O ATOM 1504 CB VAL A 94 22.398 12.923 -14.397 1.00 45.14 C ATOM 1505 CG1 VAL A 94 22.294 12.520 -15.860 1.00 61.30 C ATOM 1506 CG2 VAL A 94 21.286 12.284 -13.579 1.00 74.12 C ATOM 0 H VAL A 94 23.458 10.548 -13.243 1.00 73.11 H new ATOM 0 HA VAL A 94 24.555 13.014 -14.422 1.00 1.33 H new ATOM 0 HB VAL A 94 22.288 14.006 -14.335 1.00 45.14 H new ATOM 0 HG11 VAL A 94 21.314 12.801 -16.246 1.00 61.30 H new ATOM 0 HG12 VAL A 94 23.069 13.029 -16.433 1.00 61.30 H new ATOM 0 HG13 VAL A 94 22.424 11.442 -15.950 1.00 61.30 H new ATOM 0 HG21 VAL A 94 20.319 12.567 -13.996 1.00 74.12 H new ATOM 0 HG22 VAL A 94 21.390 11.199 -13.608 1.00 74.12 H new ATOM 0 HG23 VAL A 94 21.350 12.627 -12.547 1.00 74.12 H new ATOM 1516 N LYS A 95 24.613 14.111 -12.184 1.00 62.14 N ATOM 1517 CA LYS A 95 24.786 14.683 -10.853 1.00 53.11 C ATOM 1518 C LYS A 95 23.627 15.612 -10.506 1.00 40.53 C ATOM 1519 O LYS A 95 23.149 15.626 -9.371 1.00 3.44 O ATOM 1520 CB LYS A 95 26.108 15.449 -10.773 1.00 33.42 C ATOM 1521 CG LYS A 95 27.325 14.550 -10.636 1.00 72.34 C ATOM 1522 CD LYS A 95 27.776 14.014 -11.984 1.00 45.12 C ATOM 1523 CE LYS A 95 29.294 13.957 -12.081 1.00 51.00 C ATOM 1524 NZ LYS A 95 29.864 15.233 -12.596 1.00 1.32 N ATOM 0 H LYS A 95 25.104 14.611 -12.925 1.00 62.14 H new ATOM 0 HA LYS A 95 24.802 13.865 -10.132 1.00 53.11 H new ATOM 0 HB2 LYS A 95 26.218 16.061 -11.668 1.00 33.42 H new ATOM 0 HB3 LYS A 95 26.073 16.130 -9.923 1.00 33.42 H new ATOM 0 HG2 LYS A 95 28.140 15.107 -10.174 1.00 72.34 H new ATOM 0 HG3 LYS A 95 27.091 13.718 -9.972 1.00 72.34 H new ATOM 0 HD2 LYS A 95 27.363 13.017 -12.137 1.00 45.12 H new ATOM 0 HD3 LYS A 95 27.383 14.648 -12.779 1.00 45.12 H new ATOM 0 HE2 LYS A 95 29.713 13.742 -11.098 1.00 51.00 H new ATOM 0 HE3 LYS A 95 29.586 13.137 -12.738 1.00 51.00 H new ATOM 0 HZ1 LYS A 95 30.900 15.155 -12.648 1.00 1.32 H new ATOM 0 HZ2 LYS A 95 29.484 15.425 -13.545 1.00 1.32 H new ATOM 0 HZ3 LYS A 95 29.607 16.011 -11.956 1.00 1.32 H new ATOM 1538 N ASP A 96 23.179 16.386 -11.489 1.00 44.45 N ATOM 1539 CA ASP A 96 22.073 17.315 -11.287 1.00 5.43 C ATOM 1540 C ASP A 96 21.228 17.436 -12.551 1.00 74.30 C ATOM 1541 O ASP A 96 21.515 16.802 -13.567 1.00 72.33 O ATOM 1542 CB ASP A 96 22.604 18.690 -10.879 1.00 51.53 C ATOM 1543 CG ASP A 96 23.575 19.261 -11.893 1.00 71.01 C ATOM 1544 OD1 ASP A 96 23.704 18.673 -12.988 1.00 43.41 O ATOM 1545 OD2 ASP A 96 24.205 20.295 -11.593 1.00 32.51 O ATOM 0 H ASP A 96 23.565 16.388 -12.433 1.00 44.45 H new ATOM 0 HA ASP A 96 21.443 16.925 -10.487 1.00 5.43 H new ATOM 0 HB2 ASP A 96 21.767 19.377 -10.755 1.00 51.53 H new ATOM 0 HB3 ASP A 96 23.099 18.612 -9.911 1.00 51.53 H new ATOM 1550 N THR A 97 20.183 18.255 -12.481 1.00 22.12 N ATOM 1551 CA THR A 97 19.294 18.459 -13.618 1.00 5.45 C ATOM 1552 C THR A 97 20.041 19.076 -14.796 1.00 30.32 C ATOM 1553 O THR A 97 19.864 18.661 -15.940 1.00 12.14 O ATOM 1554 CB THR A 97 18.104 19.364 -13.248 1.00 62.34 C ATOM 1555 OG1 THR A 97 17.572 18.976 -11.976 1.00 4.42 O ATOM 1556 CG2 THR A 97 17.015 19.287 -14.306 1.00 3.41 C ATOM 0 H THR A 97 19.932 18.788 -11.648 1.00 22.12 H new ATOM 0 HA THR A 97 18.917 17.477 -13.904 1.00 5.45 H new ATOM 0 HB THR A 97 18.460 20.393 -13.194 1.00 62.34 H new ATOM 0 HG1 THR A 97 17.522 19.760 -11.390 1.00 4.42 H new ATOM 0 HG21 THR A 97 16.185 19.935 -14.022 1.00 3.41 H new ATOM 0 HG22 THR A 97 17.417 19.612 -15.266 1.00 3.41 H new ATOM 0 HG23 THR A 97 16.661 18.260 -14.390 1.00 3.41 H new ATOM 1564 N GLU A 98 20.875 20.070 -14.506 1.00 61.42 N ATOM 1565 CA GLU A 98 21.648 20.745 -15.543 1.00 51.53 C ATOM 1566 C GLU A 98 22.483 19.744 -16.336 1.00 70.24 C ATOM 1567 O GLU A 98 22.642 19.875 -17.549 1.00 30.31 O ATOM 1568 CB GLU A 98 22.558 21.807 -14.921 1.00 55.03 C ATOM 1569 CG GLU A 98 21.905 23.174 -14.803 1.00 1.51 C ATOM 1570 CD GLU A 98 22.407 24.151 -15.848 1.00 35.44 C ATOM 1571 OE1 GLU A 98 21.857 24.155 -16.970 1.00 45.33 O ATOM 1572 OE2 GLU A 98 23.348 24.914 -15.545 1.00 50.21 O ATOM 0 H GLU A 98 21.033 20.425 -13.563 1.00 61.42 H new ATOM 0 HA GLU A 98 20.950 21.230 -16.225 1.00 51.53 H new ATOM 0 HB2 GLU A 98 22.866 21.474 -13.930 1.00 55.03 H new ATOM 0 HB3 GLU A 98 23.462 21.896 -15.523 1.00 55.03 H new ATOM 0 HG2 GLU A 98 20.825 23.066 -14.901 1.00 1.51 H new ATOM 0 HG3 GLU A 98 22.096 23.580 -13.810 1.00 1.51 H new ATOM 1579 N GLY A 99 23.017 18.744 -15.640 1.00 21.12 N ATOM 1580 CA GLY A 99 23.831 17.737 -16.296 1.00 42.04 C ATOM 1581 C GLY A 99 22.998 16.719 -17.048 1.00 1.24 C ATOM 1582 O GLY A 99 23.423 16.200 -18.080 1.00 41.34 O ATOM 0 H GLY A 99 22.900 18.614 -14.635 1.00 21.12 H new ATOM 0 HA2 GLY A 99 24.517 18.224 -16.989 1.00 42.04 H new ATOM 0 HA3 GLY A 99 24.440 17.225 -15.551 1.00 42.04 H new ATOM 1586 N ALA A 100 21.808 16.431 -16.530 1.00 25.22 N ATOM 1587 CA ALA A 100 20.914 15.467 -17.161 1.00 34.43 C ATOM 1588 C ALA A 100 20.478 15.946 -18.542 1.00 12.10 C ATOM 1589 O ALA A 100 20.282 15.143 -19.455 1.00 11.03 O ATOM 1590 CB ALA A 100 19.698 15.220 -16.279 1.00 23.40 C ATOM 0 H ALA A 100 21.441 16.851 -15.676 1.00 25.22 H new ATOM 0 HA ALA A 100 21.457 14.530 -17.284 1.00 34.43 H new ATOM 0 HB1 ALA A 100 19.039 14.499 -16.762 1.00 23.40 H new ATOM 0 HB2 ALA A 100 20.021 14.828 -15.315 1.00 23.40 H new ATOM 0 HB3 ALA A 100 19.162 16.157 -16.128 1.00 23.40 H new ATOM 1596 N LYS A 101 20.328 17.258 -18.689 1.00 51.30 N ATOM 1597 CA LYS A 101 19.915 17.844 -19.959 1.00 43.03 C ATOM 1598 C LYS A 101 21.045 17.775 -20.982 1.00 44.13 C ATOM 1599 O LYS A 101 20.847 17.317 -22.107 1.00 33.21 O ATOM 1600 CB LYS A 101 19.484 19.299 -19.756 1.00 3.22 C ATOM 1601 CG LYS A 101 18.169 19.643 -20.433 1.00 3.31 C ATOM 1602 CD LYS A 101 18.174 21.062 -20.974 1.00 54.22 C ATOM 1603 CE LYS A 101 18.719 21.116 -22.392 1.00 63.52 C ATOM 1604 NZ LYS A 101 19.960 21.936 -22.479 1.00 41.24 N ATOM 0 H LYS A 101 20.486 17.936 -17.944 1.00 51.30 H new ATOM 0 HA LYS A 101 19.069 17.271 -20.338 1.00 43.03 H new ATOM 0 HB2 LYS A 101 19.396 19.498 -18.688 1.00 3.22 H new ATOM 0 HB3 LYS A 101 20.264 19.957 -20.139 1.00 3.22 H new ATOM 0 HG2 LYS A 101 17.984 18.943 -21.248 1.00 3.31 H new ATOM 0 HG3 LYS A 101 17.351 19.527 -19.722 1.00 3.31 H new ATOM 0 HD2 LYS A 101 17.160 21.462 -20.957 1.00 54.22 H new ATOM 0 HD3 LYS A 101 18.778 21.697 -20.326 1.00 54.22 H new ATOM 0 HE2 LYS A 101 18.927 20.104 -22.740 1.00 63.52 H new ATOM 0 HE3 LYS A 101 17.962 21.532 -23.057 1.00 63.52 H new ATOM 0 HZ1 LYS A 101 20.300 21.948 -23.462 1.00 41.24 H new ATOM 0 HZ2 LYS A 101 19.756 22.908 -22.171 1.00 41.24 H new ATOM 0 HZ3 LYS A 101 20.692 21.525 -21.865 1.00 41.24 H new ATOM 1618 N GLN A 102 22.228 18.231 -20.582 1.00 34.05 N ATOM 1619 CA GLN A 102 23.388 18.220 -21.465 1.00 51.42 C ATOM 1620 C GLN A 102 23.566 16.851 -22.112 1.00 3.44 C ATOM 1621 O GLN A 102 23.823 16.749 -23.312 1.00 54.10 O ATOM 1622 CB GLN A 102 24.650 18.598 -20.688 1.00 20.22 C ATOM 1623 CG GLN A 102 25.765 19.143 -21.567 1.00 54.25 C ATOM 1624 CD GLN A 102 26.880 19.784 -20.763 1.00 32.04 C ATOM 1625 OE1 GLN A 102 27.112 20.990 -20.855 1.00 33.52 O ATOM 1626 NE2 GLN A 102 27.576 18.980 -19.970 1.00 44.03 N ATOM 0 H GLN A 102 22.408 18.612 -19.653 1.00 34.05 H new ATOM 0 HA GLN A 102 23.221 18.955 -22.253 1.00 51.42 H new ATOM 0 HB2 GLN A 102 24.394 19.344 -19.936 1.00 20.22 H new ATOM 0 HB3 GLN A 102 25.015 17.720 -20.155 1.00 20.22 H new ATOM 0 HG2 GLN A 102 26.176 18.333 -22.170 1.00 54.25 H new ATOM 0 HG3 GLN A 102 25.352 19.877 -22.258 1.00 54.25 H new ATOM 0 HE21 GLN A 102 27.349 17.987 -19.925 1.00 44.03 H new ATOM 0 HE22 GLN A 102 28.338 19.355 -19.405 1.00 44.03 H new ATOM 1635 N ILE A 103 23.428 15.800 -21.310 1.00 44.14 N ATOM 1636 CA ILE A 103 23.574 14.436 -21.805 1.00 73.32 C ATOM 1637 C ILE A 103 22.564 14.143 -22.910 1.00 22.10 C ATOM 1638 O ILE A 103 22.897 13.528 -23.923 1.00 2.31 O ATOM 1639 CB ILE A 103 23.397 13.405 -20.675 1.00 14.02 C ATOM 1640 CG1 ILE A 103 24.505 13.563 -19.632 1.00 75.31 C ATOM 1641 CG2 ILE A 103 23.394 11.994 -21.243 1.00 51.02 C ATOM 1642 CD1 ILE A 103 24.345 12.650 -18.438 1.00 44.13 C ATOM 0 H ILE A 103 23.215 15.867 -20.315 1.00 44.14 H new ATOM 0 HA ILE A 103 24.584 14.351 -22.207 1.00 73.32 H new ATOM 0 HB ILE A 103 22.438 13.582 -20.188 1.00 14.02 H new ATOM 0 HG12 ILE A 103 25.468 13.366 -20.104 1.00 75.31 H new ATOM 0 HG13 ILE A 103 24.525 14.597 -19.288 1.00 75.31 H new ATOM 0 HG21 ILE A 103 23.268 11.276 -20.433 1.00 51.02 H new ATOM 0 HG22 ILE A 103 22.573 11.889 -21.952 1.00 51.02 H new ATOM 0 HG23 ILE A 103 24.339 11.805 -21.752 1.00 51.02 H new ATOM 0 HD11 ILE A 103 25.166 12.816 -17.740 1.00 44.13 H new ATOM 0 HD12 ILE A 103 23.398 12.862 -17.942 1.00 44.13 H new ATOM 0 HD13 ILE A 103 24.356 11.612 -18.770 1.00 44.13 H new ATOM 1654 N VAL A 104 21.328 14.588 -22.708 1.00 44.55 N ATOM 1655 CA VAL A 104 20.270 14.375 -23.687 1.00 34.01 C ATOM 1656 C VAL A 104 20.574 15.103 -24.992 1.00 14.21 C ATOM 1657 O VAL A 104 20.718 14.481 -26.044 1.00 45.34 O ATOM 1658 CB VAL A 104 18.906 14.851 -23.153 1.00 35.11 C ATOM 1659 CG1 VAL A 104 17.837 14.726 -24.227 1.00 10.44 C ATOM 1660 CG2 VAL A 104 18.517 14.065 -21.910 1.00 63.24 C ATOM 0 H VAL A 104 21.035 15.098 -21.875 1.00 44.55 H new ATOM 0 HA VAL A 104 20.224 13.302 -23.874 1.00 34.01 H new ATOM 0 HB VAL A 104 18.991 15.903 -22.880 1.00 35.11 H new ATOM 0 HG11 VAL A 104 16.881 15.067 -23.830 1.00 10.44 H new ATOM 0 HG12 VAL A 104 18.112 15.337 -25.087 1.00 10.44 H new ATOM 0 HG13 VAL A 104 17.751 13.684 -24.535 1.00 10.44 H new ATOM 0 HG21 VAL A 104 17.551 14.414 -21.546 1.00 63.24 H new ATOM 0 HG22 VAL A 104 18.451 13.005 -22.156 1.00 63.24 H new ATOM 0 HG23 VAL A 104 19.271 14.211 -21.136 1.00 63.24 H new ATOM 1670 N ARG A 105 20.670 16.427 -24.916 1.00 40.31 N ATOM 1671 CA ARG A 105 20.956 17.241 -26.091 1.00 33.23 C ATOM 1672 C ARG A 105 22.222 16.757 -26.792 1.00 43.02 C ATOM 1673 O ARG A 105 22.292 16.732 -28.021 1.00 32.23 O ATOM 1674 CB ARG A 105 21.110 18.711 -25.695 1.00 51.40 C ATOM 1675 CG ARG A 105 21.461 19.622 -26.859 1.00 32.22 C ATOM 1676 CD ARG A 105 21.399 21.087 -26.458 1.00 10.21 C ATOM 1677 NE ARG A 105 22.026 21.954 -27.452 1.00 10.43 N ATOM 1678 CZ ARG A 105 23.340 22.068 -27.603 1.00 43.12 C ATOM 1679 NH1 ARG A 105 24.163 21.374 -26.828 1.00 72.11 N ATOM 1680 NH2 ARG A 105 23.835 22.878 -28.530 1.00 22.33 N ATOM 0 H ARG A 105 20.554 16.958 -24.053 1.00 40.31 H new ATOM 0 HA ARG A 105 20.118 17.144 -26.782 1.00 33.23 H new ATOM 0 HB2 ARG A 105 20.180 19.056 -25.242 1.00 51.40 H new ATOM 0 HB3 ARG A 105 21.885 18.794 -24.933 1.00 51.40 H new ATOM 0 HG2 ARG A 105 22.462 19.384 -27.219 1.00 32.22 H new ATOM 0 HG3 ARG A 105 20.773 19.440 -27.685 1.00 32.22 H new ATOM 0 HD2 ARG A 105 20.358 21.382 -26.324 1.00 10.21 H new ATOM 0 HD3 ARG A 105 21.894 21.221 -25.496 1.00 10.21 H new ATOM 0 HE ARG A 105 21.421 22.502 -28.064 1.00 10.43 H new ATOM 0 HH11 ARG A 105 23.787 20.751 -26.114 1.00 72.11 H new ATOM 0 HH12 ARG A 105 25.172 21.464 -26.946 1.00 72.11 H new ATOM 0 HH21 ARG A 105 23.206 23.414 -29.128 1.00 22.33 H new ATOM 0 HH22 ARG A 105 24.845 22.965 -28.645 1.00 22.33 H new ATOM 1694 N ARG A 106 23.220 16.375 -26.003 1.00 41.25 N ATOM 1695 CA ARG A 106 24.484 15.893 -26.547 1.00 33.12 C ATOM 1696 C ARG A 106 24.248 14.789 -27.574 1.00 71.23 C ATOM 1697 O ARG A 106 24.886 14.761 -28.627 1.00 43.22 O ATOM 1698 CB ARG A 106 25.383 15.375 -25.423 1.00 22.51 C ATOM 1699 CG ARG A 106 26.692 14.779 -25.916 1.00 22.43 C ATOM 1700 CD ARG A 106 27.498 15.791 -26.716 1.00 4.53 C ATOM 1701 NE ARG A 106 27.749 17.013 -25.959 1.00 1.43 N ATOM 1702 CZ ARG A 106 28.200 18.137 -26.506 1.00 40.13 C ATOM 1703 NH1 ARG A 106 28.448 18.192 -27.807 1.00 54.22 N ATOM 1704 NH2 ARG A 106 28.403 19.208 -25.750 1.00 33.11 N ATOM 0 H ARG A 106 23.178 16.390 -24.984 1.00 41.25 H new ATOM 0 HA ARG A 106 24.979 16.728 -27.043 1.00 33.12 H new ATOM 0 HB2 ARG A 106 25.602 16.194 -24.738 1.00 22.51 H new ATOM 0 HB3 ARG A 106 24.841 14.619 -24.854 1.00 22.51 H new ATOM 0 HG2 ARG A 106 27.280 14.435 -25.065 1.00 22.43 H new ATOM 0 HG3 ARG A 106 26.485 13.906 -26.535 1.00 22.43 H new ATOM 0 HD2 ARG A 106 28.448 15.346 -27.011 1.00 4.53 H new ATOM 0 HD3 ARG A 106 26.963 16.037 -27.633 1.00 4.53 H new ATOM 0 HE ARG A 106 27.568 17.004 -24.955 1.00 1.43 H new ATOM 0 HH11 ARG A 106 28.293 17.370 -28.391 1.00 54.22 H new ATOM 0 HH12 ARG A 106 28.794 19.056 -28.224 1.00 54.22 H new ATOM 0 HH21 ARG A 106 28.213 19.169 -24.749 1.00 33.11 H new ATOM 0 HH22 ARG A 106 28.749 20.071 -26.170 1.00 33.11 H new ATOM 1718 N HIS A 107 23.329 13.883 -27.260 1.00 45.45 N ATOM 1719 CA HIS A 107 23.008 12.775 -28.155 1.00 71.25 C ATOM 1720 C HIS A 107 22.230 13.270 -29.370 1.00 31.25 C ATOM 1721 O HIS A 107 22.454 12.719 -30.449 1.00 45.41 O ATOM 1722 CB HIS A 107 22.198 11.711 -27.415 1.00 52.52 C ATOM 1723 CG HIS A 107 23.033 10.809 -26.559 1.00 34.21 C ATOM 1724 ND1 HIS A 107 24.080 10.060 -27.054 1.00 32.31 N ATOM 1725 CD2 HIS A 107 22.972 10.539 -25.234 1.00 1.11 C ATOM 1726 CE1 HIS A 107 24.626 9.368 -26.070 1.00 24.22 C ATOM 1727 NE2 HIS A 107 23.973 9.641 -24.955 1.00 52.44 N ATOM 0 H HIS A 107 22.792 13.893 -26.393 1.00 45.45 H new ATOM 0 HA HIS A 107 23.944 12.333 -28.498 1.00 71.25 H new ATOM 0 HB2 HIS A 107 21.453 12.203 -26.790 1.00 52.52 H new ATOM 0 HB3 HIS A 107 21.656 11.108 -28.143 1.00 52.52 H new ATOM 0 HD2 HIS A 107 22.267 10.953 -24.528 1.00 1.11 H new ATOM 0 HE1 HIS A 107 25.464 8.693 -26.162 1.00 24.22 H new ATOM 0 HE2 HIS A 107 24.179 9.249 -24.036 1.00 52.44 H new ATOM 1735 N LEU A 108 21.354 14.259 -29.234 1.00 61.15 N ATOM 1736 CA LEU A 108 20.588 14.765 -30.366 1.00 15.55 C ATOM 1737 C LEU A 108 21.487 15.519 -31.339 1.00 34.32 C ATOM 1738 O LEU A 108 21.382 15.353 -32.555 1.00 73.43 O ATOM 1739 CB LEU A 108 19.463 15.681 -29.879 1.00 52.14 C ATOM 1740 CG LEU A 108 18.312 14.996 -29.140 1.00 13.02 C ATOM 1741 CD1 LEU A 108 17.605 15.982 -28.224 1.00 54.51 C ATOM 1742 CD2 LEU A 108 17.330 14.387 -30.132 1.00 73.55 C ATOM 0 H LEU A 108 21.157 14.727 -28.349 1.00 61.15 H new ATOM 0 HA LEU A 108 20.153 13.912 -30.888 1.00 15.55 H new ATOM 0 HB2 LEU A 108 19.895 16.434 -29.220 1.00 52.14 H new ATOM 0 HB3 LEU A 108 19.053 16.209 -30.740 1.00 52.14 H new ATOM 0 HG LEU A 108 18.724 14.194 -28.527 1.00 13.02 H new ATOM 0 HD11 LEU A 108 16.789 15.477 -27.707 1.00 54.51 H new ATOM 0 HD12 LEU A 108 18.313 16.371 -27.492 1.00 54.51 H new ATOM 0 HD13 LEU A 108 17.205 16.806 -28.815 1.00 54.51 H new ATOM 0 HD21 LEU A 108 16.517 13.904 -29.590 1.00 73.55 H new ATOM 0 HD22 LEU A 108 16.924 15.172 -30.770 1.00 73.55 H new ATOM 0 HD23 LEU A 108 17.845 13.649 -30.747 1.00 73.55 H new