USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 866 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 106 THR OG1 : rot 4:sc= 0.752 USER MOD Set 1.2: A 108 SER OG : rot 121:sc= 1.24 USER MOD Set 1.3: A 111 HIS : no HE2:sc= 0.238 K(o=2.2,f=-7.2!) USER MOD Set 2.1: A 67 SER OG : rot 180:sc= 0.098 USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 62 SER OG : rot -100:sc= 1.31 USER MOD Set 3.2: A 63 GLN : amide:sc= -0.834! C(o=1.2!,f=-5!) USER MOD Set 3.3: A 71 LYS NZ :NH3+ -161:sc= 0.74 (180deg=0) USER MOD Set 4.1: A 11 CYS SG : rot 8:sc= -0.948 USER MOD Set 4.2: A 92 SER OG : rot -101:sc= 1.02 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS :FLIP no HE2:sc= 0.0389 F(o=-0.53,f=0.039) USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 1.24 (180deg=0.932) USER MOD Single : A 18 HIS :FLIP no HE2:sc= -0.584 F(o=-1.6,f=-0.58) USER MOD Single : A 19 SER OG : rot -170:sc= -1.25 USER MOD Single : A 20 GLN : amide:sc= -0.315 K(o=-0.32,f=-1) USER MOD Single : A 21 SER OG : rot 46:sc= 0.893 USER MOD Single : A 25 SER OG : rot -70:sc= 0.915 USER MOD Single : A 26 SER OG : rot -150:sc= 0.823 USER MOD Single : A 29 GLN : amide:sc= -0.588 K(o=-0.59,f=-2.9) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.134) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 46 TYR OH : rot -28:sc= 0.0113 USER MOD Single : A 48 GLN : amide:sc= -0.181 K(o=-0.18,f=-0.76) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc=-0.00485 (180deg=-0.151) USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.147) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -160:sc= 1.32 USER MOD Single : A 65 SER OG : rot 116:sc= -0.683! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0.27 USER MOD Single : A 83 GLN : amide:sc= -0.0629 X(o=-0.063,f=-0.28) USER MOD Single : A 84 MET CE :methyl -107:sc= -1.82 (180deg=-2.86!) USER MOD Single : A 85 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.22) USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= 1.03 (180deg=0.908) USER MOD Single : A 97 THR OG1 : rot -106:sc= 1.27 USER MOD Single : A 100 MET CE :methyl 162:sc= -0.109 (180deg=-0.528) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0118 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0292 USER MOD ----------------------------------------------------------------- ATOM 85 N ALA A 7 0.890 20.671 -1.865 1.00 54.23 N ATOM 86 CA ALA A 7 1.113 20.762 -0.436 1.00 15.14 C ATOM 87 C ALA A 7 0.310 19.688 0.273 1.00 1.53 C ATOM 88 O ALA A 7 0.663 19.246 1.366 1.00 11.01 O ATOM 89 CB ALA A 7 0.724 22.142 0.075 1.00 2.21 C ATOM 0 HA ALA A 7 2.172 20.609 -0.230 1.00 15.14 H new ATOM 0 HB1 ALA A 7 0.897 22.194 1.150 1.00 2.21 H new ATOM 0 HB2 ALA A 7 1.327 22.899 -0.427 1.00 2.21 H new ATOM 0 HB3 ALA A 7 -0.331 22.322 -0.132 1.00 2.21 H new ATOM 95 N ARG A 8 -0.776 19.278 -0.361 1.00 20.12 N ATOM 96 CA ARG A 8 -1.629 18.229 0.156 1.00 61.31 C ATOM 97 C ARG A 8 -1.795 17.150 -0.896 1.00 12.22 C ATOM 98 O ARG A 8 -2.386 17.385 -1.949 1.00 0.11 O ATOM 99 CB ARG A 8 -2.998 18.788 0.549 1.00 71.32 C ATOM 100 CG ARG A 8 -2.949 19.805 1.673 1.00 73.43 C ATOM 101 CD ARG A 8 -4.330 20.339 1.995 1.00 64.13 C ATOM 102 NE ARG A 8 -4.295 21.286 3.108 1.00 4.44 N ATOM 103 CZ ARG A 8 -5.364 21.907 3.607 1.00 33.44 C ATOM 104 NH1 ARG A 8 -6.564 21.694 3.083 1.00 73.22 N ATOM 105 NH2 ARG A 8 -5.229 22.745 4.631 1.00 31.32 N ATOM 0 H ARG A 8 -1.089 19.666 -1.251 1.00 20.12 H new ATOM 0 HA ARG A 8 -1.164 17.805 1.046 1.00 61.31 H new ATOM 0 HB2 ARG A 8 -3.455 19.250 -0.326 1.00 71.32 H new ATOM 0 HB3 ARG A 8 -3.644 17.962 0.848 1.00 71.32 H new ATOM 0 HG2 ARG A 8 -2.518 19.346 2.563 1.00 73.43 H new ATOM 0 HG3 ARG A 8 -2.295 20.630 1.391 1.00 73.43 H new ATOM 0 HD2 ARG A 8 -4.746 20.827 1.114 1.00 64.13 H new ATOM 0 HD3 ARG A 8 -4.993 19.510 2.243 1.00 64.13 H new ATOM 0 HE ARG A 8 -3.389 21.486 3.533 1.00 4.44 H new ATOM 0 HH11 ARG A 8 -6.671 21.054 2.296 1.00 73.22 H new ATOM 0 HH12 ARG A 8 -7.380 22.171 3.467 1.00 73.22 H new ATOM 0 HH21 ARG A 8 -4.307 22.913 5.035 1.00 31.32 H new ATOM 0 HH22 ARG A 8 -6.047 23.220 5.013 1.00 31.32 H new ATOM 119 N VAL A 9 -1.268 15.983 -0.621 1.00 12.54 N ATOM 120 CA VAL A 9 -1.341 14.879 -1.554 1.00 53.11 C ATOM 121 C VAL A 9 -2.240 13.775 -1.019 1.00 54.03 C ATOM 122 O VAL A 9 -2.349 13.583 0.190 1.00 12.53 O ATOM 123 CB VAL A 9 0.066 14.300 -1.869 1.00 24.41 C ATOM 124 CG1 VAL A 9 0.912 15.323 -2.610 1.00 5.44 C ATOM 125 CG2 VAL A 9 0.770 13.862 -0.594 1.00 33.33 C ATOM 0 H VAL A 9 -0.779 15.769 0.248 1.00 12.54 H new ATOM 0 HA VAL A 9 -1.766 15.270 -2.478 1.00 53.11 H new ATOM 0 HB VAL A 9 -0.065 13.426 -2.507 1.00 24.41 H new ATOM 0 HG11 VAL A 9 1.894 14.899 -2.822 1.00 5.44 H new ATOM 0 HG12 VAL A 9 0.423 15.590 -3.547 1.00 5.44 H new ATOM 0 HG13 VAL A 9 1.027 16.215 -1.994 1.00 5.44 H new ATOM 0 HG21 VAL A 9 1.753 13.460 -0.841 1.00 33.33 H new ATOM 0 HG22 VAL A 9 0.884 14.718 0.071 1.00 33.33 H new ATOM 0 HG23 VAL A 9 0.178 13.093 -0.097 1.00 33.33 H new ATOM 135 N ARG A 10 -2.901 13.072 -1.919 1.00 61.32 N ATOM 136 CA ARG A 10 -3.764 11.971 -1.535 1.00 11.41 C ATOM 137 C ARG A 10 -3.376 10.721 -2.287 1.00 44.21 C ATOM 138 O ARG A 10 -3.238 10.739 -3.520 1.00 74.04 O ATOM 139 CB ARG A 10 -5.236 12.305 -1.787 1.00 42.10 C ATOM 140 CG ARG A 10 -6.190 11.162 -1.452 1.00 34.41 C ATOM 141 CD ARG A 10 -7.636 11.582 -1.621 1.00 32.01 C ATOM 142 NE ARG A 10 -8.569 10.484 -1.367 1.00 63.23 N ATOM 143 CZ ARG A 10 -9.840 10.473 -1.774 1.00 22.43 C ATOM 144 NH1 ARG A 10 -10.338 11.507 -2.442 1.00 34.04 N ATOM 145 NH2 ARG A 10 -10.611 9.431 -1.499 1.00 54.31 N ATOM 0 H ARG A 10 -2.857 13.244 -2.923 1.00 61.32 H new ATOM 0 HA ARG A 10 -3.637 11.799 -0.466 1.00 11.41 H new ATOM 0 HB2 ARG A 10 -5.508 13.179 -1.195 1.00 42.10 H new ATOM 0 HB3 ARG A 10 -5.363 12.578 -2.835 1.00 42.10 H new ATOM 0 HG2 ARG A 10 -5.979 10.309 -2.097 1.00 34.41 H new ATOM 0 HG3 ARG A 10 -6.022 10.835 -0.426 1.00 34.41 H new ATOM 0 HD2 ARG A 10 -7.854 12.405 -0.941 1.00 32.01 H new ATOM 0 HD3 ARG A 10 -7.787 11.956 -2.633 1.00 32.01 H new ATOM 0 HE ARG A 10 -8.227 9.676 -0.846 1.00 63.23 H new ATOM 0 HH11 ARG A 10 -9.749 12.314 -2.646 1.00 34.04 H new ATOM 0 HH12 ARG A 10 -11.310 11.494 -2.751 1.00 34.04 H new ATOM 0 HH21 ARG A 10 -10.233 8.640 -0.978 1.00 54.31 H new ATOM 0 HH22 ARG A 10 -11.583 9.420 -1.809 1.00 54.31 H new ATOM 159 N CYS A 11 -3.189 9.647 -1.552 1.00 64.44 N ATOM 160 CA CYS A 11 -2.810 8.385 -2.133 1.00 4.02 C ATOM 161 C CYS A 11 -3.568 7.252 -1.472 1.00 43.51 C ATOM 162 O CYS A 11 -4.030 7.375 -0.332 1.00 60.40 O ATOM 163 CB CYS A 11 -1.306 8.153 -1.966 1.00 0.03 C ATOM 164 SG CYS A 11 -0.262 9.453 -2.653 1.00 5.11 S ATOM 0 H CYS A 11 -3.296 9.627 -0.538 1.00 64.44 H new ATOM 0 HA CYS A 11 -3.055 8.411 -3.195 1.00 4.02 H new ATOM 0 HB2 CYS A 11 -1.084 8.051 -0.904 1.00 0.03 H new ATOM 0 HB3 CYS A 11 -1.043 7.207 -2.439 1.00 0.03 H new ATOM 0 HG CYS A 11 -1.004 10.450 -3.034 1.00 5.11 H new ATOM 170 N SER A 12 -3.708 6.168 -2.188 1.00 4.20 N ATOM 171 CA SER A 12 -4.321 4.983 -1.658 1.00 74.41 C ATOM 172 C SER A 12 -3.212 4.036 -1.220 1.00 62.04 C ATOM 173 O SER A 12 -2.168 3.956 -1.877 1.00 44.10 O ATOM 174 CB SER A 12 -5.205 4.334 -2.718 1.00 32.35 C ATOM 175 OG SER A 12 -6.136 5.272 -3.242 1.00 31.25 O ATOM 0 H SER A 12 -3.399 6.083 -3.156 1.00 4.20 H new ATOM 0 HA SER A 12 -4.954 5.227 -0.805 1.00 74.41 H new ATOM 0 HB2 SER A 12 -4.585 3.941 -3.524 1.00 32.35 H new ATOM 0 HB3 SER A 12 -5.739 3.488 -2.285 1.00 32.35 H new ATOM 0 HG SER A 12 -6.692 4.836 -3.921 1.00 31.25 H new ATOM 181 N HIS A 13 -3.414 3.334 -0.121 1.00 24.23 N ATOM 182 CA HIS A 13 -2.364 2.482 0.407 1.00 52.50 C ATOM 183 C HIS A 13 -2.825 1.057 0.646 1.00 34.03 C ATOM 184 O HIS A 13 -3.853 0.813 1.280 1.00 70.32 O ATOM 185 CB HIS A 13 -1.743 3.079 1.696 1.00 64.54 C ATOM 186 CG HIS A 13 -2.643 3.101 2.911 1.00 71.32 C ATOM 187 ND1 HIS A 13 -3.914 3.545 3.076 1.00 64.03 N flip ATOM 188 CD2 HIS A 13 -2.238 2.655 4.153 1.00 61.15 C flip ATOM 189 CE1 HIS A 13 -4.243 3.360 4.396 1.00 12.31 C flip ATOM 190 NE2 HIS A 13 -3.217 2.822 5.021 1.00 15.23 N flip ATOM 0 H HIS A 13 -4.281 3.335 0.417 1.00 24.23 H new ATOM 0 HA HIS A 13 -1.593 2.442 -0.362 1.00 52.50 H new ATOM 0 HB2 HIS A 13 -0.846 2.510 1.942 1.00 64.54 H new ATOM 0 HB3 HIS A 13 -1.425 4.100 1.484 1.00 64.54 H new ATOM 0 HD1 HIS A 13 -4.514 3.943 2.353 1.00 64.03 H new ATOM 0 HD2 HIS A 13 -1.269 2.234 4.379 1.00 61.15 H new ATOM 0 HE1 HIS A 13 -5.190 3.615 4.848 1.00 12.31 H new ATOM 199 N LEU A 14 -2.048 0.128 0.135 1.00 42.04 N ATOM 200 CA LEU A 14 -2.272 -1.285 0.351 1.00 14.20 C ATOM 201 C LEU A 14 -1.221 -1.740 1.333 1.00 31.12 C ATOM 202 O LEU A 14 -0.031 -1.474 1.136 1.00 63.25 O ATOM 203 CB LEU A 14 -2.138 -2.060 -0.988 1.00 20.40 C ATOM 204 CG LEU A 14 -2.604 -3.541 -1.022 1.00 54.51 C ATOM 205 CD1 LEU A 14 -1.686 -4.451 -0.216 1.00 21.22 C ATOM 206 CD2 LEU A 14 -4.033 -3.671 -0.546 1.00 14.34 C ATOM 0 H LEU A 14 -1.236 0.333 -0.447 1.00 42.04 H new ATOM 0 HA LEU A 14 -3.274 -1.473 0.736 1.00 14.20 H new ATOM 0 HB2 LEU A 14 -2.700 -1.515 -1.747 1.00 20.40 H new ATOM 0 HB3 LEU A 14 -1.090 -2.033 -1.286 1.00 20.40 H new ATOM 0 HG LEU A 14 -2.553 -3.865 -2.061 1.00 54.51 H new ATOM 0 HD11 LEU A 14 -2.052 -5.476 -0.269 1.00 21.22 H new ATOM 0 HD12 LEU A 14 -0.677 -4.404 -0.625 1.00 21.22 H new ATOM 0 HD13 LEU A 14 -1.672 -4.124 0.824 1.00 21.22 H new ATOM 0 HD21 LEU A 14 -4.334 -4.718 -0.580 1.00 14.34 H new ATOM 0 HD22 LEU A 14 -4.110 -3.304 0.477 1.00 14.34 H new ATOM 0 HD23 LEU A 14 -4.686 -3.085 -1.192 1.00 14.34 H new ATOM 218 N LEU A 15 -1.641 -2.378 2.396 1.00 54.34 N ATOM 219 CA LEU A 15 -0.712 -2.813 3.405 1.00 54.04 C ATOM 220 C LEU A 15 -0.848 -4.292 3.674 1.00 55.22 C ATOM 221 O LEU A 15 -1.922 -4.772 4.036 1.00 30.30 O ATOM 222 CB LEU A 15 -0.898 -2.011 4.699 1.00 24.41 C ATOM 223 CG LEU A 15 0.056 -2.367 5.841 1.00 25.52 C ATOM 224 CD1 LEU A 15 1.496 -2.268 5.382 1.00 44.44 C ATOM 225 CD2 LEU A 15 -0.179 -1.462 7.036 1.00 65.34 C ATOM 0 H LEU A 15 -2.617 -2.607 2.584 1.00 54.34 H new ATOM 0 HA LEU A 15 0.295 -2.631 3.028 1.00 54.04 H new ATOM 0 HB2 LEU A 15 -0.781 -0.952 4.469 1.00 24.41 H new ATOM 0 HB3 LEU A 15 -1.921 -2.150 5.048 1.00 24.41 H new ATOM 0 HG LEU A 15 -0.142 -3.396 6.142 1.00 25.52 H new ATOM 0 HD11 LEU A 15 2.160 -2.525 6.208 1.00 44.44 H new ATOM 0 HD12 LEU A 15 1.662 -2.958 4.555 1.00 44.44 H new ATOM 0 HD13 LEU A 15 1.704 -1.250 5.053 1.00 44.44 H new ATOM 0 HD21 LEU A 15 0.509 -1.731 7.837 1.00 65.34 H new ATOM 0 HD22 LEU A 15 -0.010 -0.425 6.746 1.00 65.34 H new ATOM 0 HD23 LEU A 15 -1.205 -1.579 7.385 1.00 65.34 H new ATOM 237 N VAL A 16 0.236 -5.005 3.474 1.00 11.24 N ATOM 238 CA VAL A 16 0.279 -6.420 3.745 1.00 22.01 C ATOM 239 C VAL A 16 1.589 -6.771 4.443 1.00 53.41 C ATOM 240 O VAL A 16 2.672 -6.348 4.020 1.00 54.11 O ATOM 241 CB VAL A 16 0.111 -7.266 2.449 1.00 65.01 C ATOM 242 CG1 VAL A 16 1.192 -6.946 1.430 1.00 13.00 C ATOM 243 CG2 VAL A 16 0.100 -8.750 2.774 1.00 33.42 C ATOM 0 H VAL A 16 1.111 -4.619 3.119 1.00 11.24 H new ATOM 0 HA VAL A 16 -0.559 -6.662 4.399 1.00 22.01 H new ATOM 0 HB VAL A 16 -0.849 -7.003 2.005 1.00 65.01 H new ATOM 0 HG11 VAL A 16 1.043 -7.555 0.538 1.00 13.00 H new ATOM 0 HG12 VAL A 16 1.138 -5.891 1.162 1.00 13.00 H new ATOM 0 HG13 VAL A 16 2.171 -7.162 1.858 1.00 13.00 H new ATOM 0 HG21 VAL A 16 -0.018 -9.323 1.854 1.00 33.42 H new ATOM 0 HG22 VAL A 16 1.039 -9.024 3.254 1.00 33.42 H new ATOM 0 HG23 VAL A 16 -0.729 -8.969 3.447 1.00 33.42 H new ATOM 253 N LYS A 17 1.489 -7.502 5.525 1.00 35.41 N ATOM 254 CA LYS A 17 2.654 -7.893 6.284 1.00 25.22 C ATOM 255 C LYS A 17 3.109 -9.294 5.910 1.00 3.42 C ATOM 256 O LYS A 17 2.510 -9.948 5.053 1.00 11.12 O ATOM 257 CB LYS A 17 2.365 -7.796 7.778 1.00 20.30 C ATOM 258 CG LYS A 17 2.172 -6.371 8.253 1.00 74.12 C ATOM 259 CD LYS A 17 1.672 -6.315 9.680 1.00 30.24 C ATOM 260 CE LYS A 17 1.563 -4.883 10.171 1.00 64.52 C ATOM 261 NZ LYS A 17 0.788 -4.035 9.234 1.00 41.25 N ATOM 0 H LYS A 17 0.605 -7.842 5.904 1.00 35.41 H new ATOM 0 HA LYS A 17 3.466 -7.208 6.041 1.00 25.22 H new ATOM 0 HB2 LYS A 17 1.470 -8.374 8.007 1.00 20.30 H new ATOM 0 HB3 LYS A 17 3.187 -8.249 8.332 1.00 20.30 H new ATOM 0 HG2 LYS A 17 3.117 -5.832 8.178 1.00 74.12 H new ATOM 0 HG3 LYS A 17 1.463 -5.863 7.599 1.00 74.12 H new ATOM 0 HD2 LYS A 17 0.698 -6.799 9.745 1.00 30.24 H new ATOM 0 HD3 LYS A 17 2.349 -6.873 10.327 1.00 30.24 H new ATOM 0 HE2 LYS A 17 1.086 -4.871 11.151 1.00 64.52 H new ATOM 0 HE3 LYS A 17 2.562 -4.465 10.297 1.00 64.52 H new ATOM 0 HZ1 LYS A 17 0.664 -3.088 9.645 1.00 41.25 H new ATOM 0 HZ2 LYS A 17 1.300 -3.957 8.332 1.00 41.25 H new ATOM 0 HZ3 LYS A 17 -0.144 -4.465 9.067 1.00 41.25 H new ATOM 275 N HIS A 18 4.168 -9.746 6.549 1.00 62.32 N ATOM 276 CA HIS A 18 4.721 -11.055 6.288 1.00 44.01 C ATOM 277 C HIS A 18 5.442 -11.552 7.521 1.00 42.55 C ATOM 278 O HIS A 18 5.465 -10.857 8.535 1.00 51.34 O ATOM 279 CB HIS A 18 5.660 -11.041 5.052 1.00 42.23 C ATOM 280 CG HIS A 18 6.828 -10.096 5.143 1.00 22.03 C ATOM 281 ND1 HIS A 18 6.876 -8.754 5.320 1.00 65.12 N flip ATOM 282 CD2 HIS A 18 8.137 -10.503 5.002 1.00 53.31 C flip ATOM 283 CE1 HIS A 18 8.194 -8.384 5.283 1.00 34.31 C flip ATOM 284 NE2 HIS A 18 8.931 -9.457 5.091 1.00 54.04 N flip ATOM 0 H HIS A 18 4.668 -9.216 7.263 1.00 62.32 H new ATOM 0 HA HIS A 18 3.905 -11.739 6.055 1.00 44.01 H new ATOM 0 HB2 HIS A 18 6.041 -12.050 4.894 1.00 42.23 H new ATOM 0 HB3 HIS A 18 5.071 -10.782 4.172 1.00 42.23 H new ATOM 0 HD1 HIS A 18 6.078 -8.134 5.456 1.00 65.12 H new ATOM 0 HD2 HIS A 18 8.461 -11.521 4.843 1.00 53.31 H new ATOM 0 HE1 HIS A 18 8.567 -7.377 5.393 1.00 34.31 H new ATOM 293 N SER A 19 6.019 -12.739 7.434 1.00 65.31 N ATOM 294 CA SER A 19 6.737 -13.353 8.551 1.00 12.04 C ATOM 295 C SER A 19 7.724 -12.373 9.204 1.00 55.22 C ATOM 296 O SER A 19 7.776 -12.249 10.430 1.00 75.14 O ATOM 297 CB SER A 19 7.460 -14.595 8.057 1.00 51.14 C ATOM 298 OG SER A 19 8.092 -14.337 6.810 1.00 71.33 O ATOM 0 H SER A 19 6.006 -13.309 6.588 1.00 65.31 H new ATOM 0 HA SER A 19 6.013 -13.630 9.317 1.00 12.04 H new ATOM 0 HB2 SER A 19 8.203 -14.907 8.791 1.00 51.14 H new ATOM 0 HB3 SER A 19 6.752 -15.417 7.950 1.00 51.14 H new ATOM 0 HG SER A 19 8.418 -15.179 6.428 1.00 71.33 H new ATOM 304 N GLN A 20 8.494 -11.674 8.386 1.00 71.53 N ATOM 305 CA GLN A 20 9.437 -10.700 8.897 1.00 43.24 C ATOM 306 C GLN A 20 8.773 -9.343 9.124 1.00 24.02 C ATOM 307 O GLN A 20 9.018 -8.384 8.391 1.00 33.45 O ATOM 308 CB GLN A 20 10.641 -10.553 7.973 1.00 51.04 C ATOM 309 CG GLN A 20 11.502 -11.800 7.872 1.00 75.03 C ATOM 310 CD GLN A 20 11.993 -12.293 9.219 1.00 1.42 C ATOM 311 OE1 GLN A 20 12.181 -11.510 10.161 1.00 33.35 O ATOM 312 NE2 GLN A 20 12.206 -13.585 9.322 1.00 62.40 N ATOM 0 H GLN A 20 8.483 -11.764 7.370 1.00 71.53 H new ATOM 0 HA GLN A 20 9.789 -11.071 9.860 1.00 43.24 H new ATOM 0 HB2 GLN A 20 10.290 -10.285 6.976 1.00 51.04 H new ATOM 0 HB3 GLN A 20 11.258 -9.727 8.326 1.00 51.04 H new ATOM 0 HG2 GLN A 20 10.930 -12.592 7.388 1.00 75.03 H new ATOM 0 HG3 GLN A 20 12.360 -11.591 7.233 1.00 75.03 H new ATOM 0 HE21 GLN A 20 12.039 -14.195 8.522 1.00 62.40 H new ATOM 0 HE22 GLN A 20 12.539 -13.978 10.202 1.00 62.40 H new ATOM 321 N SER A 21 7.903 -9.292 10.109 1.00 55.00 N ATOM 322 CA SER A 21 7.243 -8.067 10.495 1.00 64.44 C ATOM 323 C SER A 21 7.045 -8.063 12.005 1.00 33.12 C ATOM 324 O SER A 21 7.052 -9.124 12.638 1.00 71.24 O ATOM 325 CB SER A 21 5.891 -7.934 9.776 1.00 23.44 C ATOM 326 OG SER A 21 5.258 -6.698 10.083 1.00 4.33 O ATOM 0 H SER A 21 7.633 -10.103 10.666 1.00 55.00 H new ATOM 0 HA SER A 21 7.862 -7.217 10.208 1.00 64.44 H new ATOM 0 HB2 SER A 21 6.041 -8.010 8.699 1.00 23.44 H new ATOM 0 HB3 SER A 21 5.241 -8.759 10.066 1.00 23.44 H new ATOM 0 HG SER A 21 5.911 -5.971 10.017 1.00 4.33 H new ATOM 332 N ARG A 22 6.885 -6.883 12.582 1.00 1.10 N ATOM 333 CA ARG A 22 6.680 -6.761 14.019 1.00 30.13 C ATOM 334 C ARG A 22 5.273 -7.200 14.418 1.00 43.53 C ATOM 335 O ARG A 22 5.016 -7.529 15.581 1.00 21.11 O ATOM 336 CB ARG A 22 6.958 -5.327 14.493 1.00 52.15 C ATOM 337 CG ARG A 22 8.326 -5.151 15.143 1.00 21.23 C ATOM 338 CD ARG A 22 9.466 -5.425 14.171 1.00 62.31 C ATOM 339 NE ARG A 22 10.702 -5.788 14.878 1.00 2.25 N ATOM 340 CZ ARG A 22 11.932 -5.374 14.548 1.00 34.15 C ATOM 341 NH1 ARG A 22 12.116 -4.518 13.549 1.00 20.32 N ATOM 342 NH2 ARG A 22 12.978 -5.817 15.232 1.00 75.44 N ATOM 0 H ARG A 22 6.893 -5.996 12.079 1.00 1.10 H new ATOM 0 HA ARG A 22 7.389 -7.426 14.512 1.00 30.13 H new ATOM 0 HB2 ARG A 22 6.880 -4.651 13.642 1.00 52.15 H new ATOM 0 HB3 ARG A 22 6.187 -5.033 15.205 1.00 52.15 H new ATOM 0 HG2 ARG A 22 8.415 -4.135 15.527 1.00 21.23 H new ATOM 0 HG3 ARG A 22 8.410 -5.823 15.997 1.00 21.23 H new ATOM 0 HD2 ARG A 22 9.183 -6.231 13.494 1.00 62.31 H new ATOM 0 HD3 ARG A 22 9.643 -4.541 13.558 1.00 62.31 H new ATOM 0 HE ARG A 22 10.616 -6.405 15.685 1.00 2.25 H new ATOM 0 HH11 ARG A 22 11.315 -4.168 13.023 1.00 20.32 H new ATOM 0 HH12 ARG A 22 13.058 -4.211 13.308 1.00 20.32 H new ATOM 0 HH21 ARG A 22 12.843 -6.469 16.004 1.00 75.44 H new ATOM 0 HH22 ARG A 22 13.918 -5.506 14.986 1.00 75.44 H new ATOM 356 N ARG A 23 4.372 -7.223 13.454 1.00 75.24 N ATOM 357 CA ARG A 23 3.002 -7.630 13.702 1.00 21.33 C ATOM 358 C ARG A 23 2.615 -8.791 12.776 1.00 4.14 C ATOM 359 O ARG A 23 2.222 -8.580 11.639 1.00 33.20 O ATOM 360 CB ARG A 23 2.050 -6.439 13.514 1.00 30.43 C ATOM 361 CG ARG A 23 0.580 -6.758 13.748 1.00 2.01 C ATOM 362 CD ARG A 23 0.307 -7.167 15.188 1.00 73.21 C ATOM 363 NE ARG A 23 -1.100 -7.519 15.385 1.00 5.41 N ATOM 364 CZ ARG A 23 -1.592 -8.121 16.470 1.00 72.33 C ATOM 365 NH1 ARG A 23 -0.801 -8.403 17.495 1.00 31.24 N ATOM 366 NH2 ARG A 23 -2.883 -8.435 16.525 1.00 71.03 N ATOM 0 H ARG A 23 4.566 -6.963 12.487 1.00 75.24 H new ATOM 0 HA ARG A 23 2.919 -7.974 14.733 1.00 21.33 H new ATOM 0 HB2 ARG A 23 2.348 -5.642 14.195 1.00 30.43 H new ATOM 0 HB3 ARG A 23 2.168 -6.053 12.501 1.00 30.43 H new ATOM 0 HG2 ARG A 23 -0.024 -5.886 13.498 1.00 2.01 H new ATOM 0 HG3 ARG A 23 0.272 -7.561 13.079 1.00 2.01 H new ATOM 0 HD2 ARG A 23 0.937 -8.017 15.452 1.00 73.21 H new ATOM 0 HD3 ARG A 23 0.577 -6.350 15.857 1.00 73.21 H new ATOM 0 HE ARG A 23 -1.754 -7.287 14.637 1.00 5.41 H new ATOM 0 HH11 ARG A 23 0.189 -8.160 17.457 1.00 31.24 H new ATOM 0 HH12 ARG A 23 -1.182 -8.863 18.322 1.00 31.24 H new ATOM 0 HH21 ARG A 23 -3.495 -8.216 15.739 1.00 71.03 H new ATOM 0 HH22 ARG A 23 -3.261 -8.895 17.353 1.00 71.03 H new ATOM 380 N PRO A 24 2.743 -10.032 13.258 1.00 13.24 N ATOM 381 CA PRO A 24 2.434 -11.226 12.477 1.00 44.24 C ATOM 382 C PRO A 24 0.982 -11.689 12.654 1.00 12.54 C ATOM 383 O PRO A 24 0.677 -12.874 12.515 1.00 43.22 O ATOM 384 CB PRO A 24 3.394 -12.248 13.069 1.00 60.33 C ATOM 385 CG PRO A 24 3.508 -11.868 14.515 1.00 53.20 C ATOM 386 CD PRO A 24 3.223 -10.383 14.605 1.00 52.10 C ATOM 0 HA PRO A 24 2.541 -11.066 11.404 1.00 44.24 H new ATOM 0 HB2 PRO A 24 3.012 -13.263 12.955 1.00 60.33 H new ATOM 0 HB3 PRO A 24 4.364 -12.214 12.573 1.00 60.33 H new ATOM 0 HG2 PRO A 24 2.800 -12.434 15.120 1.00 53.20 H new ATOM 0 HG3 PRO A 24 4.504 -12.094 14.896 1.00 53.20 H new ATOM 0 HD2 PRO A 24 2.473 -10.166 15.366 1.00 52.10 H new ATOM 0 HD3 PRO A 24 4.118 -9.820 14.870 1.00 52.10 H new ATOM 394 N SER A 25 0.098 -10.752 12.942 1.00 4.13 N ATOM 395 CA SER A 25 -1.307 -11.060 13.142 1.00 25.53 C ATOM 396 C SER A 25 -2.180 -9.944 12.577 1.00 32.22 C ATOM 397 O SER A 25 -1.964 -8.768 12.876 1.00 55.13 O ATOM 398 CB SER A 25 -1.597 -11.239 14.636 1.00 3.51 C ATOM 399 OG SER A 25 -0.721 -12.195 15.220 1.00 61.23 O ATOM 0 H SER A 25 0.330 -9.764 13.043 1.00 4.13 H new ATOM 0 HA SER A 25 -1.538 -11.988 12.618 1.00 25.53 H new ATOM 0 HB2 SER A 25 -1.488 -10.282 15.147 1.00 3.51 H new ATOM 0 HB3 SER A 25 -2.630 -11.558 14.773 1.00 3.51 H new ATOM 0 HG SER A 25 -0.943 -13.089 14.886 1.00 61.23 H new ATOM 405 N SER A 26 -3.147 -10.305 11.758 1.00 72.22 N ATOM 406 CA SER A 26 -4.047 -9.333 11.175 1.00 4.35 C ATOM 407 C SER A 26 -5.493 -9.700 11.494 1.00 3.44 C ATOM 408 O SER A 26 -5.754 -10.574 12.332 1.00 4.03 O ATOM 409 CB SER A 26 -3.850 -9.283 9.662 1.00 74.42 C ATOM 410 OG SER A 26 -4.323 -10.475 9.049 1.00 21.32 O ATOM 0 H SER A 26 -3.329 -11.269 11.481 1.00 72.22 H new ATOM 0 HA SER A 26 -3.827 -8.353 11.598 1.00 4.35 H new ATOM 0 HB2 SER A 26 -4.379 -8.423 9.251 1.00 74.42 H new ATOM 0 HB3 SER A 26 -2.793 -9.146 9.433 1.00 74.42 H new ATOM 0 HG SER A 26 -3.803 -10.655 8.238 1.00 21.32 H new ATOM 415 N TRP A 27 -6.428 -9.035 10.836 1.00 43.13 N ATOM 416 CA TRP A 27 -7.836 -9.328 11.017 1.00 73.11 C ATOM 417 C TRP A 27 -8.258 -10.460 10.084 1.00 30.44 C ATOM 418 O TRP A 27 -9.298 -11.084 10.276 1.00 13.53 O ATOM 419 CB TRP A 27 -8.692 -8.072 10.764 1.00 42.35 C ATOM 420 CG TRP A 27 -8.568 -7.515 9.370 1.00 22.41 C ATOM 421 CD1 TRP A 27 -7.646 -6.615 8.926 1.00 31.30 C ATOM 422 CD2 TRP A 27 -9.405 -7.819 8.242 1.00 52.23 C ATOM 423 NE1 TRP A 27 -7.850 -6.347 7.598 1.00 24.02 N ATOM 424 CE2 TRP A 27 -8.922 -7.073 7.154 1.00 31.22 C ATOM 425 CE3 TRP A 27 -10.508 -8.654 8.051 1.00 12.54 C ATOM 426 CZ2 TRP A 27 -9.506 -7.134 5.890 1.00 25.53 C ATOM 427 CZ3 TRP A 27 -11.088 -8.714 6.798 1.00 25.02 C ATOM 428 CH2 TRP A 27 -10.585 -7.958 5.732 1.00 22.21 C ATOM 0 H TRP A 27 -6.234 -8.287 10.170 1.00 43.13 H new ATOM 0 HA TRP A 27 -7.996 -9.644 12.048 1.00 73.11 H new ATOM 0 HB2 TRP A 27 -9.738 -8.313 10.956 1.00 42.35 H new ATOM 0 HB3 TRP A 27 -8.406 -7.300 11.479 1.00 42.35 H new ATOM 0 HD1 TRP A 27 -6.868 -6.177 9.533 1.00 31.30 H new ATOM 0 HE1 TRP A 27 -7.292 -5.709 7.031 1.00 24.02 H new ATOM 0 HE3 TRP A 27 -10.901 -9.242 8.867 1.00 12.54 H new ATOM 0 HZ2 TRP A 27 -9.120 -6.552 5.066 1.00 25.53 H new ATOM 0 HZ3 TRP A 27 -11.943 -9.354 6.638 1.00 25.02 H new ATOM 0 HH2 TRP A 27 -11.060 -8.028 4.764 1.00 22.21 H new ATOM 439 N ARG A 28 -7.431 -10.726 9.080 1.00 71.04 N ATOM 440 CA ARG A 28 -7.723 -11.758 8.096 1.00 61.13 C ATOM 441 C ARG A 28 -6.947 -13.038 8.405 1.00 3.54 C ATOM 442 O ARG A 28 -7.466 -14.142 8.247 1.00 71.31 O ATOM 443 CB ARG A 28 -7.409 -11.253 6.670 1.00 64.22 C ATOM 444 CG ARG A 28 -5.999 -10.697 6.502 1.00 40.43 C ATOM 445 CD ARG A 28 -5.778 -10.088 5.124 1.00 35.20 C ATOM 446 NE ARG A 28 -5.817 -11.089 4.052 1.00 12.23 N ATOM 447 CZ ARG A 28 -4.987 -11.104 3.004 1.00 54.42 C ATOM 448 NH1 ARG A 28 -4.036 -10.183 2.890 1.00 61.52 N ATOM 449 NH2 ARG A 28 -5.110 -12.039 2.074 1.00 41.13 N ATOM 0 H ARG A 28 -6.549 -10.238 8.927 1.00 71.04 H new ATOM 0 HA ARG A 28 -8.787 -11.990 8.148 1.00 61.13 H new ATOM 0 HB2 ARG A 28 -7.551 -12.073 5.966 1.00 64.22 H new ATOM 0 HB3 ARG A 28 -8.128 -10.478 6.404 1.00 64.22 H new ATOM 0 HG2 ARG A 28 -5.816 -9.940 7.265 1.00 40.43 H new ATOM 0 HG3 ARG A 28 -5.274 -11.495 6.665 1.00 40.43 H new ATOM 0 HD2 ARG A 28 -6.541 -9.332 4.938 1.00 35.20 H new ATOM 0 HD3 ARG A 28 -4.814 -9.579 5.106 1.00 35.20 H new ATOM 0 HE ARG A 28 -6.524 -11.822 4.110 1.00 12.23 H new ATOM 0 HH11 ARG A 28 -3.937 -9.461 3.604 1.00 61.52 H new ATOM 0 HH12 ARG A 28 -3.405 -10.198 2.089 1.00 61.52 H new ATOM 0 HH21 ARG A 28 -5.838 -12.748 2.157 1.00 41.13 H new ATOM 0 HH22 ARG A 28 -4.476 -12.050 1.275 1.00 41.13 H new ATOM 463 N GLN A 29 -5.717 -12.883 8.859 1.00 21.45 N ATOM 464 CA GLN A 29 -4.874 -14.016 9.193 1.00 14.12 C ATOM 465 C GLN A 29 -4.242 -13.794 10.568 1.00 70.30 C ATOM 466 O GLN A 29 -3.489 -12.843 10.766 1.00 11.14 O ATOM 467 CB GLN A 29 -3.797 -14.194 8.112 1.00 11.02 C ATOM 468 CG GLN A 29 -2.916 -15.419 8.288 1.00 31.02 C ATOM 469 CD GLN A 29 -1.888 -15.565 7.176 1.00 40.40 C ATOM 470 OE1 GLN A 29 -1.433 -14.582 6.595 1.00 71.21 O ATOM 471 NE2 GLN A 29 -1.511 -16.794 6.876 1.00 12.02 N ATOM 0 H GLN A 29 -5.277 -11.975 9.006 1.00 21.45 H new ATOM 0 HA GLN A 29 -5.473 -14.926 9.232 1.00 14.12 H new ATOM 0 HB2 GLN A 29 -4.285 -14.251 7.139 1.00 11.02 H new ATOM 0 HB3 GLN A 29 -3.164 -13.307 8.100 1.00 11.02 H new ATOM 0 HG2 GLN A 29 -2.402 -15.357 9.247 1.00 31.02 H new ATOM 0 HG3 GLN A 29 -3.542 -16.311 8.318 1.00 31.02 H new ATOM 0 HE21 GLN A 29 -1.910 -17.587 7.379 1.00 12.02 H new ATOM 0 HE22 GLN A 29 -0.821 -16.951 6.141 1.00 12.02 H new ATOM 480 N GLU A 30 -4.563 -14.666 11.517 1.00 34.53 N ATOM 481 CA GLU A 30 -4.071 -14.521 12.890 1.00 32.51 C ATOM 482 C GLU A 30 -2.580 -14.826 12.995 1.00 33.35 C ATOM 483 O GLU A 30 -1.906 -14.369 13.920 1.00 51.13 O ATOM 484 CB GLU A 30 -4.866 -15.402 13.854 1.00 54.21 C ATOM 485 CG GLU A 30 -6.357 -15.112 13.853 1.00 63.23 C ATOM 486 CD GLU A 30 -7.077 -15.752 15.015 1.00 1.24 C ATOM 487 OE1 GLU A 30 -7.228 -16.992 15.023 1.00 10.13 O ATOM 488 OE2 GLU A 30 -7.501 -15.016 15.932 1.00 40.52 O ATOM 0 H GLU A 30 -5.159 -15.480 11.366 1.00 34.53 H new ATOM 0 HA GLU A 30 -4.216 -13.478 13.173 1.00 32.51 H new ATOM 0 HB2 GLU A 30 -4.708 -16.448 13.592 1.00 54.21 H new ATOM 0 HB3 GLU A 30 -4.478 -15.264 14.863 1.00 54.21 H new ATOM 0 HG2 GLU A 30 -6.513 -14.034 13.884 1.00 63.23 H new ATOM 0 HG3 GLU A 30 -6.792 -15.470 12.920 1.00 63.23 H new ATOM 495 N LYS A 31 -2.075 -15.606 12.064 1.00 62.41 N ATOM 496 CA LYS A 31 -0.657 -15.915 12.029 1.00 11.04 C ATOM 497 C LYS A 31 -0.115 -15.775 10.612 1.00 52.10 C ATOM 498 O LYS A 31 -0.323 -16.643 9.764 1.00 42.31 O ATOM 499 CB LYS A 31 -0.368 -17.317 12.608 1.00 30.32 C ATOM 500 CG LYS A 31 -1.126 -18.454 11.935 1.00 13.40 C ATOM 501 CD LYS A 31 -0.709 -19.803 12.495 1.00 11.12 C ATOM 502 CE LYS A 31 -1.389 -20.946 11.759 1.00 3.21 C ATOM 503 NZ LYS A 31 -2.866 -20.885 11.878 1.00 34.22 N ATOM 0 H LYS A 31 -2.623 -16.039 11.320 1.00 62.41 H new ATOM 0 HA LYS A 31 -0.139 -15.195 12.663 1.00 11.04 H new ATOM 0 HB2 LYS A 31 0.701 -17.514 12.528 1.00 30.32 H new ATOM 0 HB3 LYS A 31 -0.613 -17.314 13.670 1.00 30.32 H new ATOM 0 HG2 LYS A 31 -2.198 -18.314 12.078 1.00 13.40 H new ATOM 0 HG3 LYS A 31 -0.942 -18.431 10.861 1.00 13.40 H new ATOM 0 HD2 LYS A 31 0.373 -19.912 12.418 1.00 11.12 H new ATOM 0 HD3 LYS A 31 -0.959 -19.851 13.555 1.00 11.12 H new ATOM 0 HE2 LYS A 31 -1.109 -20.916 10.706 1.00 3.21 H new ATOM 0 HE3 LYS A 31 -1.032 -21.896 12.157 1.00 3.21 H new ATOM 0 HZ1 LYS A 31 -3.280 -21.765 11.511 1.00 34.22 H new ATOM 0 HZ2 LYS A 31 -3.129 -20.769 12.877 1.00 34.22 H new ATOM 0 HZ3 LYS A 31 -3.225 -20.078 11.329 1.00 34.22 H new ATOM 517 N ILE A 32 0.548 -14.665 10.354 1.00 20.31 N ATOM 518 CA ILE A 32 1.108 -14.398 9.040 1.00 32.34 C ATOM 519 C ILE A 32 2.304 -15.311 8.782 1.00 64.31 C ATOM 520 O ILE A 32 3.431 -15.010 9.178 1.00 35.23 O ATOM 521 CB ILE A 32 1.554 -12.917 8.890 1.00 25.34 C ATOM 522 CG1 ILE A 32 0.433 -11.953 9.321 1.00 10.53 C ATOM 523 CG2 ILE A 32 1.966 -12.634 7.457 1.00 54.34 C ATOM 524 CD1 ILE A 32 -0.816 -12.030 8.471 1.00 73.13 C ATOM 0 H ILE A 32 0.714 -13.928 11.040 1.00 20.31 H new ATOM 0 HA ILE A 32 0.324 -14.594 8.309 1.00 32.34 H new ATOM 0 HB ILE A 32 2.411 -12.755 9.544 1.00 25.34 H new ATOM 0 HG12 ILE A 32 0.167 -12.164 10.357 1.00 10.53 H new ATOM 0 HG13 ILE A 32 0.816 -10.933 9.292 1.00 10.53 H new ATOM 0 HG21 ILE A 32 2.276 -11.593 7.366 1.00 54.34 H new ATOM 0 HG22 ILE A 32 2.796 -13.285 7.182 1.00 54.34 H new ATOM 0 HG23 ILE A 32 1.122 -12.821 6.792 1.00 54.34 H new ATOM 0 HD11 ILE A 32 -1.554 -11.319 8.843 1.00 73.13 H new ATOM 0 HD12 ILE A 32 -0.568 -11.788 7.437 1.00 73.13 H new ATOM 0 HD13 ILE A 32 -1.227 -13.038 8.519 1.00 73.13 H new ATOM 536 N THR A 33 2.045 -16.441 8.153 1.00 4.52 N ATOM 537 CA THR A 33 3.079 -17.412 7.866 1.00 45.32 C ATOM 538 C THR A 33 3.751 -17.137 6.525 1.00 13.13 C ATOM 539 O THR A 33 4.839 -17.647 6.249 1.00 33.12 O ATOM 540 CB THR A 33 2.500 -18.837 7.866 1.00 4.21 C ATOM 541 OG1 THR A 33 1.299 -18.867 7.078 1.00 3.23 O ATOM 542 CG2 THR A 33 2.189 -19.296 9.283 1.00 74.43 C ATOM 0 H THR A 33 1.116 -16.710 7.829 1.00 4.52 H new ATOM 0 HA THR A 33 3.829 -17.325 8.652 1.00 45.32 H new ATOM 0 HB THR A 33 3.242 -19.512 7.438 1.00 4.21 H new ATOM 0 HG1 THR A 33 0.931 -19.775 7.077 1.00 3.23 H new ATOM 0 HG21 THR A 33 1.781 -20.306 9.257 1.00 74.43 H new ATOM 0 HG22 THR A 33 3.103 -19.289 9.877 1.00 74.43 H new ATOM 0 HG23 THR A 33 1.460 -18.622 9.732 1.00 74.43 H new ATOM 550 N ARG A 34 3.100 -16.329 5.698 1.00 42.40 N ATOM 551 CA ARG A 34 3.617 -16.002 4.373 1.00 13.22 C ATOM 552 C ARG A 34 4.894 -15.167 4.452 1.00 25.35 C ATOM 553 O ARG A 34 4.932 -14.113 5.095 1.00 13.44 O ATOM 554 CB ARG A 34 2.543 -15.299 3.525 1.00 64.43 C ATOM 555 CG ARG A 34 1.915 -14.073 4.177 1.00 50.21 C ATOM 556 CD ARG A 34 0.619 -13.680 3.479 1.00 20.31 C ATOM 557 NE ARG A 34 -0.338 -14.789 3.481 1.00 3.32 N ATOM 558 CZ ARG A 34 -1.664 -14.666 3.385 1.00 55.13 C ATOM 559 NH1 ARG A 34 -2.229 -13.472 3.242 1.00 71.31 N ATOM 560 NH2 ARG A 34 -2.424 -15.752 3.428 1.00 35.41 N ATOM 0 H ARG A 34 2.209 -15.886 5.922 1.00 42.40 H new ATOM 0 HA ARG A 34 3.877 -16.940 3.882 1.00 13.22 H new ATOM 0 HB2 ARG A 34 2.988 -15.001 2.576 1.00 64.43 H new ATOM 0 HB3 ARG A 34 1.754 -16.016 3.296 1.00 64.43 H new ATOM 0 HG2 ARG A 34 1.717 -14.279 5.229 1.00 50.21 H new ATOM 0 HG3 ARG A 34 2.617 -13.240 4.142 1.00 50.21 H new ATOM 0 HD2 ARG A 34 0.181 -12.816 3.979 1.00 20.31 H new ATOM 0 HD3 ARG A 34 0.831 -13.381 2.453 1.00 20.31 H new ATOM 0 HE ARG A 34 0.040 -15.733 3.562 1.00 3.32 H new ATOM 0 HH11 ARG A 34 -1.648 -12.634 3.204 1.00 71.31 H new ATOM 0 HH12 ARG A 34 -3.243 -13.393 3.170 1.00 71.31 H new ATOM 0 HH21 ARG A 34 -1.995 -16.671 3.534 1.00 35.41 H new ATOM 0 HH22 ARG A 34 -3.438 -15.668 3.355 1.00 35.41 H new ATOM 574 N THR A 35 5.939 -15.656 3.810 1.00 60.33 N ATOM 575 CA THR A 35 7.219 -14.978 3.792 1.00 23.40 C ATOM 576 C THR A 35 7.258 -13.907 2.688 1.00 20.50 C ATOM 577 O THR A 35 6.259 -13.684 1.988 1.00 41.41 O ATOM 578 CB THR A 35 8.387 -15.995 3.598 1.00 51.13 C ATOM 579 OG1 THR A 35 9.653 -15.327 3.665 1.00 4.33 O ATOM 580 CG2 THR A 35 8.267 -16.720 2.263 1.00 24.31 C ATOM 0 H THR A 35 5.923 -16.532 3.288 1.00 60.33 H new ATOM 0 HA THR A 35 7.347 -14.486 4.756 1.00 23.40 H new ATOM 0 HB THR A 35 8.323 -16.728 4.403 1.00 51.13 H new ATOM 0 HG1 THR A 35 10.374 -15.979 3.543 1.00 4.33 H new ATOM 0 HG21 THR A 35 9.094 -17.422 2.155 1.00 24.31 H new ATOM 0 HG22 THR A 35 7.323 -17.263 2.228 1.00 24.31 H new ATOM 0 HG23 THR A 35 8.299 -15.994 1.451 1.00 24.31 H new ATOM 588 N LYS A 36 8.406 -13.252 2.543 1.00 43.12 N ATOM 589 CA LYS A 36 8.596 -12.203 1.550 1.00 23.25 C ATOM 590 C LYS A 36 8.321 -12.725 0.143 1.00 13.14 C ATOM 591 O LYS A 36 7.674 -12.054 -0.658 1.00 73.43 O ATOM 592 CB LYS A 36 10.024 -11.644 1.632 1.00 71.21 C ATOM 593 CG LYS A 36 10.332 -10.590 0.581 1.00 41.14 C ATOM 594 CD LYS A 36 11.783 -10.142 0.634 1.00 11.22 C ATOM 595 CE LYS A 36 12.089 -9.156 -0.481 1.00 44.12 C ATOM 596 NZ LYS A 36 13.508 -8.720 -0.474 1.00 25.21 N ATOM 0 H LYS A 36 9.232 -13.435 3.113 1.00 43.12 H new ATOM 0 HA LYS A 36 7.887 -11.403 1.764 1.00 23.25 H new ATOM 0 HB2 LYS A 36 10.179 -11.213 2.621 1.00 71.21 H new ATOM 0 HB3 LYS A 36 10.732 -12.466 1.527 1.00 71.21 H new ATOM 0 HG2 LYS A 36 10.112 -10.990 -0.409 1.00 41.14 H new ATOM 0 HG3 LYS A 36 9.681 -9.729 0.729 1.00 41.14 H new ATOM 0 HD2 LYS A 36 11.990 -9.680 1.600 1.00 11.22 H new ATOM 0 HD3 LYS A 36 12.438 -11.009 0.548 1.00 11.22 H new ATOM 0 HE2 LYS A 36 11.857 -9.615 -1.442 1.00 44.12 H new ATOM 0 HE3 LYS A 36 11.443 -8.284 -0.379 1.00 44.12 H new ATOM 0 HZ1 LYS A 36 13.669 -8.049 -1.252 1.00 25.21 H new ATOM 0 HZ2 LYS A 36 13.725 -8.258 0.432 1.00 25.21 H new ATOM 0 HZ3 LYS A 36 14.126 -9.547 -0.598 1.00 25.21 H new ATOM 610 N GLU A 37 8.797 -13.933 -0.138 1.00 62.14 N ATOM 611 CA GLU A 37 8.620 -14.545 -1.454 1.00 74.10 C ATOM 612 C GLU A 37 7.149 -14.653 -1.820 1.00 63.40 C ATOM 613 O GLU A 37 6.751 -14.339 -2.944 1.00 44.22 O ATOM 614 CB GLU A 37 9.265 -15.930 -1.500 1.00 12.14 C ATOM 615 CG GLU A 37 10.744 -15.926 -1.180 1.00 23.33 C ATOM 616 CD GLU A 37 11.501 -14.905 -1.992 1.00 21.11 C ATOM 617 OE1 GLU A 37 11.633 -15.092 -3.219 1.00 2.21 O ATOM 618 OE2 GLU A 37 11.961 -13.902 -1.410 1.00 71.45 O ATOM 0 H GLU A 37 9.310 -14.511 0.528 1.00 62.14 H new ATOM 0 HA GLU A 37 9.111 -13.899 -2.182 1.00 74.10 H new ATOM 0 HB2 GLU A 37 8.752 -16.583 -0.794 1.00 12.14 H new ATOM 0 HB3 GLU A 37 9.119 -16.356 -2.493 1.00 12.14 H new ATOM 0 HG2 GLU A 37 10.884 -15.719 -0.119 1.00 23.33 H new ATOM 0 HG3 GLU A 37 11.157 -16.917 -1.369 1.00 23.33 H new ATOM 625 N GLU A 38 6.347 -15.083 -0.863 1.00 64.55 N ATOM 626 CA GLU A 38 4.924 -15.242 -1.081 1.00 21.33 C ATOM 627 C GLU A 38 4.254 -13.884 -1.230 1.00 1.53 C ATOM 628 O GLU A 38 3.406 -13.690 -2.102 1.00 70.53 O ATOM 629 CB GLU A 38 4.289 -16.013 0.077 1.00 42.21 C ATOM 630 CG GLU A 38 4.937 -17.362 0.347 1.00 12.23 C ATOM 631 CD GLU A 38 4.996 -18.242 -0.882 1.00 33.13 C ATOM 632 OE1 GLU A 38 3.942 -18.770 -1.295 1.00 54.22 O ATOM 633 OE2 GLU A 38 6.097 -18.421 -1.437 1.00 40.15 O ATOM 0 H GLU A 38 6.660 -15.329 0.076 1.00 64.55 H new ATOM 0 HA GLU A 38 4.780 -15.808 -2.001 1.00 21.33 H new ATOM 0 HB2 GLU A 38 4.347 -15.406 0.980 1.00 42.21 H new ATOM 0 HB3 GLU A 38 3.231 -16.165 -0.137 1.00 42.21 H new ATOM 0 HG2 GLU A 38 5.947 -17.205 0.725 1.00 12.23 H new ATOM 0 HG3 GLU A 38 4.380 -17.877 1.130 1.00 12.23 H new ATOM 640 N ALA A 39 4.661 -12.946 -0.383 1.00 20.33 N ATOM 641 CA ALA A 39 4.105 -11.602 -0.386 1.00 45.22 C ATOM 642 C ALA A 39 4.365 -10.893 -1.711 1.00 72.24 C ATOM 643 O ALA A 39 3.468 -10.264 -2.265 1.00 11.54 O ATOM 644 CB ALA A 39 4.669 -10.793 0.772 1.00 54.23 C ATOM 0 H ALA A 39 5.383 -13.096 0.322 1.00 20.33 H new ATOM 0 HA ALA A 39 3.025 -11.687 -0.263 1.00 45.22 H new ATOM 0 HB1 ALA A 39 4.243 -9.790 0.756 1.00 54.23 H new ATOM 0 HB2 ALA A 39 4.415 -11.280 1.714 1.00 54.23 H new ATOM 0 HB3 ALA A 39 5.753 -10.729 0.677 1.00 54.23 H new ATOM 650 N LEU A 40 5.592 -11.011 -2.219 1.00 61.01 N ATOM 651 CA LEU A 40 5.970 -10.374 -3.484 1.00 23.22 C ATOM 652 C LEU A 40 5.089 -10.841 -4.631 1.00 22.51 C ATOM 653 O LEU A 40 4.608 -10.031 -5.421 1.00 11.34 O ATOM 654 CB LEU A 40 7.444 -10.626 -3.814 1.00 33.23 C ATOM 655 CG LEU A 40 8.419 -9.501 -3.438 1.00 61.25 C ATOM 656 CD1 LEU A 40 8.154 -8.261 -4.281 1.00 50.12 C ATOM 657 CD2 LEU A 40 8.317 -9.169 -1.962 1.00 61.32 C ATOM 0 H LEU A 40 6.342 -11.541 -1.775 1.00 61.01 H new ATOM 0 HA LEU A 40 5.822 -9.302 -3.357 1.00 23.22 H new ATOM 0 HB2 LEU A 40 7.759 -11.538 -3.306 1.00 33.23 H new ATOM 0 HB3 LEU A 40 7.530 -10.812 -4.885 1.00 33.23 H new ATOM 0 HG LEU A 40 9.432 -9.849 -3.640 1.00 61.25 H new ATOM 0 HD11 LEU A 40 8.854 -7.474 -4.001 1.00 50.12 H new ATOM 0 HD12 LEU A 40 8.284 -8.504 -5.336 1.00 50.12 H new ATOM 0 HD13 LEU A 40 7.134 -7.916 -4.111 1.00 50.12 H new ATOM 0 HD21 LEU A 40 9.017 -8.369 -1.720 1.00 61.32 H new ATOM 0 HD22 LEU A 40 7.302 -8.845 -1.731 1.00 61.32 H new ATOM 0 HD23 LEU A 40 8.558 -10.054 -1.373 1.00 61.32 H new ATOM 669 N GLU A 41 4.863 -12.146 -4.712 1.00 13.24 N ATOM 670 CA GLU A 41 4.018 -12.705 -5.761 1.00 14.11 C ATOM 671 C GLU A 41 2.599 -12.160 -5.661 1.00 64.24 C ATOM 672 O GLU A 41 1.928 -11.952 -6.674 1.00 75.22 O ATOM 673 CB GLU A 41 4.006 -14.231 -5.695 1.00 33.33 C ATOM 674 CG GLU A 41 5.326 -14.870 -6.091 1.00 10.42 C ATOM 675 CD GLU A 41 5.760 -14.480 -7.489 1.00 71.35 C ATOM 676 OE1 GLU A 41 5.016 -14.757 -8.447 1.00 25.43 O ATOM 677 OE2 GLU A 41 6.850 -13.900 -7.638 1.00 15.41 O ATOM 0 H GLU A 41 5.251 -12.835 -4.067 1.00 13.24 H new ATOM 0 HA GLU A 41 4.436 -12.406 -6.722 1.00 14.11 H new ATOM 0 HB2 GLU A 41 3.753 -14.540 -4.681 1.00 33.33 H new ATOM 0 HB3 GLU A 41 3.219 -14.608 -6.349 1.00 33.33 H new ATOM 0 HG2 GLU A 41 6.097 -14.576 -5.379 1.00 10.42 H new ATOM 0 HG3 GLU A 41 5.234 -15.954 -6.031 1.00 10.42 H new ATOM 684 N LEU A 42 2.155 -11.918 -4.438 1.00 12.43 N ATOM 685 CA LEU A 42 0.837 -11.361 -4.204 1.00 64.41 C ATOM 686 C LEU A 42 0.812 -9.892 -4.609 1.00 74.41 C ATOM 687 O LEU A 42 -0.143 -9.429 -5.228 1.00 41.41 O ATOM 688 CB LEU A 42 0.438 -11.523 -2.734 1.00 4.21 C ATOM 689 CG LEU A 42 0.369 -12.968 -2.227 1.00 61.14 C ATOM 690 CD1 LEU A 42 0.071 -13.003 -0.740 1.00 64.34 C ATOM 691 CD2 LEU A 42 -0.678 -13.760 -3.000 1.00 10.43 C ATOM 0 H LEU A 42 2.692 -12.100 -3.590 1.00 12.43 H new ATOM 0 HA LEU A 42 0.114 -11.903 -4.813 1.00 64.41 H new ATOM 0 HB2 LEU A 42 1.151 -10.974 -2.119 1.00 4.21 H new ATOM 0 HB3 LEU A 42 -0.536 -11.057 -2.586 1.00 4.21 H new ATOM 0 HG LEU A 42 1.342 -13.432 -2.392 1.00 61.14 H new ATOM 0 HD11 LEU A 42 0.027 -14.038 -0.402 1.00 64.34 H new ATOM 0 HD12 LEU A 42 0.858 -12.478 -0.199 1.00 64.34 H new ATOM 0 HD13 LEU A 42 -0.886 -12.518 -0.549 1.00 64.34 H new ATOM 0 HD21 LEU A 42 -0.711 -14.783 -2.625 1.00 10.43 H new ATOM 0 HD22 LEU A 42 -1.655 -13.294 -2.871 1.00 10.43 H new ATOM 0 HD23 LEU A 42 -0.418 -13.770 -4.059 1.00 10.43 H new ATOM 703 N ILE A 43 1.882 -9.168 -4.265 1.00 74.02 N ATOM 704 CA ILE A 43 2.020 -7.760 -4.636 1.00 20.22 C ATOM 705 C ILE A 43 1.965 -7.618 -6.147 1.00 61.55 C ATOM 706 O ILE A 43 1.241 -6.771 -6.677 1.00 72.24 O ATOM 707 CB ILE A 43 3.355 -7.157 -4.118 1.00 11.14 C ATOM 708 CG1 ILE A 43 3.406 -7.178 -2.584 1.00 60.40 C ATOM 709 CG2 ILE A 43 3.552 -5.734 -4.641 1.00 12.34 C ATOM 710 CD1 ILE A 43 2.318 -6.361 -1.919 1.00 34.32 C ATOM 0 H ILE A 43 2.667 -9.538 -3.728 1.00 74.02 H new ATOM 0 HA ILE A 43 1.196 -7.216 -4.175 1.00 20.22 H new ATOM 0 HB ILE A 43 4.169 -7.775 -4.496 1.00 11.14 H new ATOM 0 HG12 ILE A 43 3.331 -8.210 -2.243 1.00 60.40 H new ATOM 0 HG13 ILE A 43 4.377 -6.805 -2.258 1.00 60.40 H new ATOM 0 HG21 ILE A 43 4.494 -5.335 -4.264 1.00 12.34 H new ATOM 0 HG22 ILE A 43 3.574 -5.747 -5.731 1.00 12.34 H new ATOM 0 HG23 ILE A 43 2.729 -5.105 -4.302 1.00 12.34 H new ATOM 0 HD11 ILE A 43 2.423 -6.428 -0.836 1.00 34.32 H new ATOM 0 HD12 ILE A 43 2.404 -5.319 -2.229 1.00 34.32 H new ATOM 0 HD13 ILE A 43 1.342 -6.747 -2.213 1.00 34.32 H new ATOM 722 N ASN A 44 2.722 -8.467 -6.834 1.00 62.32 N ATOM 723 CA ASN A 44 2.744 -8.474 -8.292 1.00 3.01 C ATOM 724 C ASN A 44 1.346 -8.697 -8.828 1.00 33.05 C ATOM 725 O ASN A 44 0.913 -8.019 -9.757 1.00 44.30 O ATOM 726 CB ASN A 44 3.676 -9.567 -8.825 1.00 14.14 C ATOM 727 CG ASN A 44 5.123 -9.362 -8.436 1.00 25.05 C ATOM 728 OD1 ASN A 44 5.570 -8.236 -8.223 1.00 22.42 O ATOM 729 ND2 ASN A 44 5.870 -10.448 -8.356 1.00 64.24 N ATOM 0 H ASN A 44 3.331 -9.162 -6.402 1.00 62.32 H new ATOM 0 HA ASN A 44 3.117 -7.507 -8.629 1.00 3.01 H new ATOM 0 HB2 ASN A 44 3.340 -10.535 -8.452 1.00 14.14 H new ATOM 0 HB3 ASN A 44 3.601 -9.601 -9.912 1.00 14.14 H new ATOM 0 HD21 ASN A 44 6.857 -10.371 -8.110 1.00 64.24 H new ATOM 0 HD22 ASN A 44 5.460 -11.364 -8.540 1.00 64.24 H new ATOM 736 N GLY A 45 0.636 -9.642 -8.215 1.00 33.43 N ATOM 737 CA GLY A 45 -0.722 -9.944 -8.615 1.00 50.42 C ATOM 738 C GLY A 45 -1.638 -8.742 -8.490 1.00 2.03 C ATOM 739 O GLY A 45 -2.472 -8.497 -9.368 1.00 74.23 O ATOM 0 H GLY A 45 0.985 -10.207 -7.441 1.00 33.43 H new ATOM 0 HA2 GLY A 45 -0.725 -10.295 -9.647 1.00 50.42 H new ATOM 0 HA3 GLY A 45 -1.107 -10.758 -8.000 1.00 50.42 H new ATOM 743 N TYR A 46 -1.480 -7.986 -7.402 1.00 0.32 N ATOM 744 CA TYR A 46 -2.276 -6.783 -7.190 1.00 20.14 C ATOM 745 C TYR A 46 -1.997 -5.787 -8.303 1.00 23.30 C ATOM 746 O TYR A 46 -2.918 -5.253 -8.924 1.00 44.53 O ATOM 747 CB TYR A 46 -1.956 -6.129 -5.833 1.00 0.01 C ATOM 748 CG TYR A 46 -2.116 -7.034 -4.626 1.00 71.53 C ATOM 749 CD1 TYR A 46 -3.092 -8.027 -4.585 1.00 11.45 C ATOM 750 CD2 TYR A 46 -1.285 -6.890 -3.523 1.00 11.42 C ATOM 751 CE1 TYR A 46 -3.227 -8.846 -3.479 1.00 45.33 C ATOM 752 CE2 TYR A 46 -1.415 -7.703 -2.418 1.00 21.31 C ATOM 753 CZ TYR A 46 -2.385 -8.679 -2.399 1.00 0.52 C ATOM 754 OH TYR A 46 -2.515 -9.489 -1.293 1.00 45.01 O ATOM 0 H TYR A 46 -0.811 -8.187 -6.659 1.00 0.32 H new ATOM 0 HA TYR A 46 -3.328 -7.069 -7.194 1.00 20.14 H new ATOM 0 HB2 TYR A 46 -0.930 -5.761 -5.858 1.00 0.01 H new ATOM 0 HB3 TYR A 46 -2.603 -5.261 -5.705 1.00 0.01 H new ATOM 0 HD1 TYR A 46 -3.753 -8.159 -5.429 1.00 11.45 H new ATOM 0 HD2 TYR A 46 -0.522 -6.126 -3.531 1.00 11.42 H new ATOM 0 HE1 TYR A 46 -3.988 -9.612 -3.461 1.00 45.33 H new ATOM 0 HE2 TYR A 46 -0.758 -7.575 -1.570 1.00 21.31 H new ATOM 0 HH TYR A 46 -3.445 -9.789 -1.215 1.00 45.01 H new ATOM 764 N ILE A 47 -0.711 -5.564 -8.559 1.00 30.12 N ATOM 765 CA ILE A 47 -0.273 -4.648 -9.600 1.00 43.41 C ATOM 766 C ILE A 47 -0.818 -5.078 -10.963 1.00 74.11 C ATOM 767 O ILE A 47 -1.290 -4.247 -11.745 1.00 15.51 O ATOM 768 CB ILE A 47 1.276 -4.566 -9.661 1.00 60.41 C ATOM 769 CG1 ILE A 47 1.834 -4.064 -8.324 1.00 43.40 C ATOM 770 CG2 ILE A 47 1.725 -3.658 -10.802 1.00 44.12 C ATOM 771 CD1 ILE A 47 3.350 -4.019 -8.267 1.00 23.55 C ATOM 0 H ILE A 47 0.052 -6.013 -8.051 1.00 30.12 H new ATOM 0 HA ILE A 47 -0.664 -3.661 -9.353 1.00 43.41 H new ATOM 0 HB ILE A 47 1.667 -5.566 -9.849 1.00 60.41 H new ATOM 0 HG12 ILE A 47 1.443 -3.065 -8.131 1.00 43.40 H new ATOM 0 HG13 ILE A 47 1.469 -4.709 -7.524 1.00 43.40 H new ATOM 0 HG21 ILE A 47 2.814 -3.615 -10.826 1.00 44.12 H new ATOM 0 HG22 ILE A 47 1.356 -4.054 -11.748 1.00 44.12 H new ATOM 0 HG23 ILE A 47 1.326 -2.656 -10.648 1.00 44.12 H new ATOM 0 HD11 ILE A 47 3.667 -3.654 -7.290 1.00 23.55 H new ATOM 0 HD12 ILE A 47 3.750 -5.020 -8.427 1.00 23.55 H new ATOM 0 HD13 ILE A 47 3.724 -3.351 -9.043 1.00 23.55 H new ATOM 783 N GLN A 48 -0.764 -6.381 -11.236 1.00 22.54 N ATOM 784 CA GLN A 48 -1.273 -6.923 -12.494 1.00 73.41 C ATOM 785 C GLN A 48 -2.746 -6.593 -12.670 1.00 21.15 C ATOM 786 O GLN A 48 -3.155 -6.103 -13.715 1.00 42.25 O ATOM 787 CB GLN A 48 -1.065 -8.442 -12.575 1.00 2.05 C ATOM 788 CG GLN A 48 0.395 -8.875 -12.623 1.00 73.30 C ATOM 789 CD GLN A 48 1.154 -8.268 -13.787 1.00 62.11 C ATOM 790 OE1 GLN A 48 0.580 -7.977 -14.841 1.00 63.31 O ATOM 791 NE2 GLN A 48 2.448 -8.081 -13.610 1.00 10.00 N ATOM 0 H GLN A 48 -0.373 -7.080 -10.604 1.00 22.54 H new ATOM 0 HA GLN A 48 -0.708 -6.456 -13.300 1.00 73.41 H new ATOM 0 HB2 GLN A 48 -1.542 -8.908 -11.713 1.00 2.05 H new ATOM 0 HB3 GLN A 48 -1.573 -8.819 -13.463 1.00 2.05 H new ATOM 0 HG2 GLN A 48 0.883 -8.592 -11.691 1.00 73.30 H new ATOM 0 HG3 GLN A 48 0.444 -9.962 -12.691 1.00 73.30 H new ATOM 0 HE21 GLN A 48 2.883 -8.335 -12.723 1.00 10.00 H new ATOM 0 HE22 GLN A 48 3.013 -7.682 -14.360 1.00 10.00 H new ATOM 800 N LYS A 49 -3.537 -6.835 -11.628 1.00 23.32 N ATOM 801 CA LYS A 49 -4.973 -6.574 -11.676 1.00 33.00 C ATOM 802 C LYS A 49 -5.275 -5.107 -11.961 1.00 22.33 C ATOM 803 O LYS A 49 -6.167 -4.793 -12.751 1.00 42.04 O ATOM 804 CB LYS A 49 -5.645 -6.995 -10.367 1.00 35.22 C ATOM 805 CG LYS A 49 -5.755 -8.497 -10.184 1.00 14.51 C ATOM 806 CD LYS A 49 -6.357 -8.844 -8.832 1.00 11.10 C ATOM 807 CE LYS A 49 -6.651 -10.331 -8.718 1.00 31.14 C ATOM 808 NZ LYS A 49 -5.452 -11.158 -8.995 1.00 22.24 N ATOM 0 H LYS A 49 -3.207 -7.212 -10.739 1.00 23.32 H new ATOM 0 HA LYS A 49 -5.378 -7.168 -12.495 1.00 33.00 H new ATOM 0 HB2 LYS A 49 -5.083 -6.578 -9.532 1.00 35.22 H new ATOM 0 HB3 LYS A 49 -6.644 -6.561 -10.327 1.00 35.22 H new ATOM 0 HG2 LYS A 49 -6.371 -8.918 -10.978 1.00 14.51 H new ATOM 0 HG3 LYS A 49 -4.768 -8.950 -10.272 1.00 14.51 H new ATOM 0 HD2 LYS A 49 -5.670 -8.546 -8.040 1.00 11.10 H new ATOM 0 HD3 LYS A 49 -7.277 -8.278 -8.686 1.00 11.10 H new ATOM 0 HE2 LYS A 49 -7.020 -10.552 -7.716 1.00 31.14 H new ATOM 0 HE3 LYS A 49 -7.445 -10.598 -9.416 1.00 31.14 H new ATOM 0 HZ1 LYS A 49 -5.636 -12.142 -8.712 1.00 22.24 H new ATOM 0 HZ2 LYS A 49 -5.235 -11.125 -10.012 1.00 22.24 H new ATOM 0 HZ3 LYS A 49 -4.643 -10.788 -8.456 1.00 22.24 H new ATOM 822 N ILE A 50 -4.525 -4.222 -11.332 1.00 12.23 N ATOM 823 CA ILE A 50 -4.741 -2.787 -11.482 1.00 43.45 C ATOM 824 C ILE A 50 -4.298 -2.284 -12.863 1.00 22.21 C ATOM 825 O ILE A 50 -4.985 -1.473 -13.485 1.00 23.03 O ATOM 826 CB ILE A 50 -4.006 -1.993 -10.374 1.00 21.55 C ATOM 827 CG1 ILE A 50 -4.463 -2.476 -8.992 1.00 74.12 C ATOM 828 CG2 ILE A 50 -4.259 -0.495 -10.526 1.00 54.05 C ATOM 829 CD1 ILE A 50 -3.686 -1.871 -7.845 1.00 42.30 C ATOM 0 H ILE A 50 -3.756 -4.469 -10.709 1.00 12.23 H new ATOM 0 HA ILE A 50 -5.814 -2.618 -11.386 1.00 43.45 H new ATOM 0 HB ILE A 50 -2.935 -2.168 -10.472 1.00 21.55 H new ATOM 0 HG12 ILE A 50 -5.520 -2.240 -8.867 1.00 74.12 H new ATOM 0 HG13 ILE A 50 -4.371 -3.561 -8.948 1.00 74.12 H new ATOM 0 HG21 ILE A 50 -3.734 0.045 -9.738 1.00 54.05 H new ATOM 0 HG22 ILE A 50 -3.896 -0.161 -11.498 1.00 54.05 H new ATOM 0 HG23 ILE A 50 -5.328 -0.297 -10.451 1.00 54.05 H new ATOM 0 HD11 ILE A 50 -4.067 -2.261 -6.901 1.00 42.30 H new ATOM 0 HD12 ILE A 50 -2.631 -2.128 -7.944 1.00 42.30 H new ATOM 0 HD13 ILE A 50 -3.798 -0.787 -7.861 1.00 42.30 H new ATOM 841 N LYS A 51 -3.162 -2.773 -13.344 1.00 72.03 N ATOM 842 CA LYS A 51 -2.638 -2.340 -14.640 1.00 35.31 C ATOM 843 C LYS A 51 -3.361 -3.008 -15.814 1.00 61.20 C ATOM 844 O LYS A 51 -3.635 -2.361 -16.827 1.00 20.23 O ATOM 845 CB LYS A 51 -1.133 -2.593 -14.740 1.00 5.31 C ATOM 846 CG LYS A 51 -0.288 -1.655 -13.894 1.00 34.10 C ATOM 847 CD LYS A 51 1.195 -1.916 -14.105 1.00 15.44 C ATOM 848 CE LYS A 51 2.059 -0.936 -13.326 1.00 15.11 C ATOM 849 NZ LYS A 51 1.908 0.459 -13.817 1.00 3.44 N ATOM 0 H LYS A 51 -2.587 -3.465 -12.863 1.00 72.03 H new ATOM 0 HA LYS A 51 -2.822 -1.268 -14.704 1.00 35.31 H new ATOM 0 HB2 LYS A 51 -0.928 -3.620 -14.439 1.00 5.31 H new ATOM 0 HB3 LYS A 51 -0.828 -2.499 -15.782 1.00 5.31 H new ATOM 0 HG2 LYS A 51 -0.519 -0.621 -14.151 1.00 34.10 H new ATOM 0 HG3 LYS A 51 -0.537 -1.785 -12.841 1.00 34.10 H new ATOM 0 HD2 LYS A 51 1.432 -2.934 -13.796 1.00 15.44 H new ATOM 0 HD3 LYS A 51 1.429 -1.842 -15.167 1.00 15.44 H new ATOM 0 HE2 LYS A 51 1.792 -0.979 -12.270 1.00 15.11 H new ATOM 0 HE3 LYS A 51 3.104 -1.235 -13.403 1.00 15.11 H new ATOM 0 HZ1 LYS A 51 2.664 1.051 -13.417 1.00 3.44 H new ATOM 0 HZ2 LYS A 51 1.972 0.470 -14.855 1.00 3.44 H new ATOM 0 HZ3 LYS A 51 0.983 0.832 -13.523 1.00 3.44 H new ATOM 863 N SER A 52 -3.664 -4.287 -15.678 1.00 52.11 N ATOM 864 CA SER A 52 -4.325 -5.026 -16.746 1.00 33.54 C ATOM 865 C SER A 52 -5.799 -4.632 -16.850 1.00 15.14 C ATOM 866 O SER A 52 -6.400 -4.728 -17.922 1.00 4.02 O ATOM 867 CB SER A 52 -4.183 -6.540 -16.519 1.00 74.21 C ATOM 868 OG SER A 52 -4.663 -7.285 -17.627 1.00 44.04 O ATOM 0 H SER A 52 -3.465 -4.837 -14.842 1.00 52.11 H new ATOM 0 HA SER A 52 -3.840 -4.771 -17.688 1.00 33.54 H new ATOM 0 HB2 SER A 52 -3.136 -6.785 -16.343 1.00 74.21 H new ATOM 0 HB3 SER A 52 -4.733 -6.827 -15.622 1.00 74.21 H new ATOM 0 HG SER A 52 -4.556 -8.243 -17.448 1.00 44.04 H new ATOM 874 N GLY A 53 -6.370 -4.178 -15.744 1.00 23.31 N ATOM 875 CA GLY A 53 -7.764 -3.783 -15.743 1.00 54.21 C ATOM 876 C GLY A 53 -8.676 -4.919 -15.340 1.00 3.00 C ATOM 877 O GLY A 53 -9.766 -5.085 -15.895 1.00 1.44 O ATOM 0 H GLY A 53 -5.894 -4.076 -14.848 1.00 23.31 H new ATOM 0 HA2 GLY A 53 -7.903 -2.947 -15.058 1.00 54.21 H new ATOM 0 HA3 GLY A 53 -8.041 -3.431 -16.737 1.00 54.21 H new ATOM 881 N GLU A 54 -8.231 -5.707 -14.377 1.00 34.34 N ATOM 882 CA GLU A 54 -9.009 -6.830 -13.894 1.00 51.31 C ATOM 883 C GLU A 54 -9.945 -6.382 -12.784 1.00 61.42 C ATOM 884 O GLU A 54 -11.142 -6.663 -12.812 1.00 53.22 O ATOM 885 CB GLU A 54 -8.095 -7.945 -13.383 1.00 33.42 C ATOM 886 CG GLU A 54 -7.128 -8.480 -14.424 1.00 4.23 C ATOM 887 CD GLU A 54 -6.368 -9.692 -13.936 1.00 45.51 C ATOM 888 OE1 GLU A 54 -6.895 -10.815 -14.063 1.00 64.21 O ATOM 889 OE2 GLU A 54 -5.242 -9.534 -13.422 1.00 72.10 O ATOM 0 H GLU A 54 -7.330 -5.587 -13.913 1.00 34.34 H new ATOM 0 HA GLU A 54 -9.598 -7.217 -14.725 1.00 51.31 H new ATOM 0 HB2 GLU A 54 -7.526 -7.572 -12.532 1.00 33.42 H new ATOM 0 HB3 GLU A 54 -8.711 -8.767 -13.019 1.00 33.42 H new ATOM 0 HG2 GLU A 54 -7.679 -8.740 -15.328 1.00 4.23 H new ATOM 0 HG3 GLU A 54 -6.421 -7.696 -14.696 1.00 4.23 H new ATOM 896 N GLU A 55 -9.392 -5.672 -11.818 1.00 25.55 N ATOM 897 CA GLU A 55 -10.148 -5.188 -10.675 1.00 55.12 C ATOM 898 C GLU A 55 -9.658 -3.814 -10.264 1.00 2.13 C ATOM 899 O GLU A 55 -8.669 -3.308 -10.803 1.00 62.44 O ATOM 900 CB GLU A 55 -10.014 -6.156 -9.495 1.00 63.11 C ATOM 901 CG GLU A 55 -10.895 -7.390 -9.590 1.00 23.34 C ATOM 902 CD GLU A 55 -12.367 -7.053 -9.470 1.00 4.11 C ATOM 903 OE1 GLU A 55 -12.810 -6.710 -8.353 1.00 44.32 O ATOM 904 OE2 GLU A 55 -13.088 -7.122 -10.488 1.00 43.41 O ATOM 0 H GLU A 55 -8.405 -5.414 -11.803 1.00 25.55 H new ATOM 0 HA GLU A 55 -11.197 -5.122 -10.962 1.00 55.12 H new ATOM 0 HB2 GLU A 55 -8.974 -6.473 -9.417 1.00 63.11 H new ATOM 0 HB3 GLU A 55 -10.255 -5.623 -8.575 1.00 63.11 H new ATOM 0 HG2 GLU A 55 -10.715 -7.890 -10.541 1.00 23.34 H new ATOM 0 HG3 GLU A 55 -10.620 -8.092 -8.803 1.00 23.34 H new ATOM 911 N ASP A 56 -10.347 -3.212 -9.322 1.00 61.20 N ATOM 912 CA ASP A 56 -9.962 -1.910 -8.817 1.00 53.31 C ATOM 913 C ASP A 56 -9.203 -2.057 -7.520 1.00 14.15 C ATOM 914 O ASP A 56 -9.387 -3.037 -6.797 1.00 12.42 O ATOM 915 CB ASP A 56 -11.187 -1.018 -8.606 1.00 43.41 C ATOM 916 CG ASP A 56 -11.918 -0.719 -9.893 1.00 51.20 C ATOM 917 OD1 ASP A 56 -11.372 0.021 -10.734 1.00 71.04 O ATOM 918 OD2 ASP A 56 -13.042 -1.227 -10.076 1.00 4.02 O ATOM 0 H ASP A 56 -11.182 -3.604 -8.887 1.00 61.20 H new ATOM 0 HA ASP A 56 -9.317 -1.438 -9.558 1.00 53.31 H new ATOM 0 HB2 ASP A 56 -11.870 -1.504 -7.909 1.00 43.41 H new ATOM 0 HB3 ASP A 56 -10.874 -0.081 -8.144 1.00 43.41 H new ATOM 923 N PHE A 57 -8.356 -1.083 -7.223 1.00 51.54 N ATOM 924 CA PHE A 57 -7.567 -1.083 -5.995 1.00 14.05 C ATOM 925 C PHE A 57 -8.480 -1.206 -4.781 1.00 40.30 C ATOM 926 O PHE A 57 -8.165 -1.903 -3.821 1.00 21.52 O ATOM 927 CB PHE A 57 -6.741 0.208 -5.908 1.00 11.25 C ATOM 928 CG PHE A 57 -5.832 0.289 -4.709 1.00 31.42 C ATOM 929 CD1 PHE A 57 -4.541 -0.207 -4.769 1.00 21.54 C ATOM 930 CD2 PHE A 57 -6.266 0.870 -3.529 1.00 15.05 C ATOM 931 CE1 PHE A 57 -3.705 -0.131 -3.679 1.00 54.41 C ATOM 932 CE2 PHE A 57 -5.432 0.949 -2.434 1.00 34.33 C ATOM 933 CZ PHE A 57 -4.150 0.450 -2.510 1.00 4.15 C ATOM 0 H PHE A 57 -8.195 -0.273 -7.822 1.00 51.54 H new ATOM 0 HA PHE A 57 -6.891 -1.938 -6.008 1.00 14.05 H new ATOM 0 HB2 PHE A 57 -6.139 0.300 -6.812 1.00 11.25 H new ATOM 0 HB3 PHE A 57 -7.422 1.059 -5.890 1.00 11.25 H new ATOM 0 HD1 PHE A 57 -4.186 -0.659 -5.683 1.00 21.54 H new ATOM 0 HD2 PHE A 57 -7.269 1.266 -3.466 1.00 15.05 H new ATOM 0 HE1 PHE A 57 -2.702 -0.526 -3.739 1.00 54.41 H new ATOM 0 HE2 PHE A 57 -5.783 1.401 -1.518 1.00 34.33 H new ATOM 0 HZ PHE A 57 -3.494 0.514 -1.655 1.00 4.15 H new ATOM 943 N GLU A 58 -9.626 -0.545 -4.856 1.00 4.21 N ATOM 944 CA GLU A 58 -10.612 -0.546 -3.780 1.00 23.24 C ATOM 945 C GLU A 58 -11.136 -1.960 -3.507 1.00 64.01 C ATOM 946 O GLU A 58 -11.479 -2.297 -2.375 1.00 62.43 O ATOM 947 CB GLU A 58 -11.773 0.366 -4.153 1.00 0.40 C ATOM 948 CG GLU A 58 -11.349 1.779 -4.510 1.00 72.45 C ATOM 949 CD GLU A 58 -12.502 2.620 -4.996 1.00 70.53 C ATOM 950 OE1 GLU A 58 -12.832 2.546 -6.191 1.00 51.42 O ATOM 951 OE2 GLU A 58 -13.087 3.364 -4.188 1.00 13.22 O ATOM 0 H GLU A 58 -9.901 0.010 -5.667 1.00 4.21 H new ATOM 0 HA GLU A 58 -10.129 -0.182 -2.873 1.00 23.24 H new ATOM 0 HB2 GLU A 58 -12.307 -0.068 -4.998 1.00 0.40 H new ATOM 0 HB3 GLU A 58 -12.474 0.406 -3.319 1.00 0.40 H new ATOM 0 HG2 GLU A 58 -10.900 2.252 -3.637 1.00 72.45 H new ATOM 0 HG3 GLU A 58 -10.580 1.741 -5.282 1.00 72.45 H new ATOM 958 N SER A 59 -11.174 -2.781 -4.544 1.00 52.33 N ATOM 959 CA SER A 59 -11.673 -4.142 -4.440 1.00 74.51 C ATOM 960 C SER A 59 -10.634 -5.042 -3.774 1.00 2.35 C ATOM 961 O SER A 59 -10.968 -6.019 -3.106 1.00 62.52 O ATOM 962 CB SER A 59 -12.024 -4.665 -5.840 1.00 54.23 C ATOM 963 OG SER A 59 -12.589 -5.964 -5.793 1.00 72.20 O ATOM 0 H SER A 59 -10.860 -2.523 -5.480 1.00 52.33 H new ATOM 0 HA SER A 59 -12.571 -4.149 -3.822 1.00 74.51 H new ATOM 0 HB2 SER A 59 -12.726 -3.981 -6.318 1.00 54.23 H new ATOM 0 HB3 SER A 59 -11.126 -4.682 -6.457 1.00 54.23 H new ATOM 0 HG SER A 59 -12.512 -6.386 -6.674 1.00 72.20 H new ATOM 969 N LEU A 60 -9.374 -4.691 -3.949 1.00 11.21 N ATOM 970 CA LEU A 60 -8.279 -5.463 -3.391 1.00 42.44 C ATOM 971 C LEU A 60 -7.954 -5.008 -1.975 1.00 32.03 C ATOM 972 O LEU A 60 -7.845 -5.823 -1.057 1.00 31.30 O ATOM 973 CB LEU A 60 -7.029 -5.341 -4.279 1.00 62.43 C ATOM 974 CG LEU A 60 -6.986 -6.224 -5.542 1.00 22.52 C ATOM 975 CD1 LEU A 60 -8.158 -5.941 -6.463 1.00 15.21 C ATOM 976 CD2 LEU A 60 -5.677 -6.020 -6.279 1.00 64.31 C ATOM 0 H LEU A 60 -9.082 -3.869 -4.478 1.00 11.21 H new ATOM 0 HA LEU A 60 -8.591 -6.507 -3.355 1.00 42.44 H new ATOM 0 HB2 LEU A 60 -6.932 -4.300 -4.588 1.00 62.43 H new ATOM 0 HB3 LEU A 60 -6.156 -5.575 -3.670 1.00 62.43 H new ATOM 0 HG LEU A 60 -7.059 -7.264 -5.223 1.00 22.52 H new ATOM 0 HD11 LEU A 60 -8.093 -6.582 -7.342 1.00 15.21 H new ATOM 0 HD12 LEU A 60 -9.091 -6.141 -5.936 1.00 15.21 H new ATOM 0 HD13 LEU A 60 -8.133 -4.896 -6.773 1.00 15.21 H new ATOM 0 HD21 LEU A 60 -5.659 -6.649 -7.169 1.00 64.31 H new ATOM 0 HD22 LEU A 60 -5.583 -4.974 -6.572 1.00 64.31 H new ATOM 0 HD23 LEU A 60 -4.846 -6.290 -5.627 1.00 64.31 H new ATOM 988 N ALA A 61 -7.832 -3.705 -1.799 1.00 42.24 N ATOM 989 CA ALA A 61 -7.449 -3.122 -0.520 1.00 65.24 C ATOM 990 C ALA A 61 -8.454 -3.411 0.589 1.00 71.12 C ATOM 991 O ALA A 61 -8.114 -3.337 1.763 1.00 5.34 O ATOM 992 CB ALA A 61 -7.246 -1.624 -0.665 1.00 31.32 C ATOM 0 H ALA A 61 -7.995 -3.019 -2.536 1.00 42.24 H new ATOM 0 HA ALA A 61 -6.511 -3.594 -0.228 1.00 65.24 H new ATOM 0 HB1 ALA A 61 -6.960 -1.201 0.298 1.00 31.32 H new ATOM 0 HB2 ALA A 61 -6.458 -1.432 -1.394 1.00 31.32 H new ATOM 0 HB3 ALA A 61 -8.174 -1.162 -1.003 1.00 31.32 H new ATOM 998 N SER A 62 -9.671 -3.757 0.219 1.00 34.21 N ATOM 999 CA SER A 62 -10.714 -3.997 1.198 1.00 52.00 C ATOM 1000 C SER A 62 -10.580 -5.356 1.905 1.00 41.40 C ATOM 1001 O SER A 62 -11.122 -5.544 2.996 1.00 72.32 O ATOM 1002 CB SER A 62 -12.096 -3.831 0.558 1.00 72.21 C ATOM 1003 OG SER A 62 -12.114 -4.343 -0.769 1.00 51.14 O ATOM 0 H SER A 62 -9.962 -3.878 -0.751 1.00 34.21 H new ATOM 0 HA SER A 62 -10.596 -3.245 1.978 1.00 52.00 H new ATOM 0 HB2 SER A 62 -12.843 -4.348 1.160 1.00 72.21 H new ATOM 0 HB3 SER A 62 -12.370 -2.776 0.547 1.00 72.21 H new ATOM 0 HG SER A 62 -12.030 -3.603 -1.406 1.00 51.14 H new ATOM 1009 N GLN A 63 -9.856 -6.299 1.295 1.00 54.23 N ATOM 1010 CA GLN A 63 -9.692 -7.627 1.906 1.00 3.22 C ATOM 1011 C GLN A 63 -8.237 -8.064 1.993 1.00 33.45 C ATOM 1012 O GLN A 63 -7.894 -8.916 2.812 1.00 23.25 O ATOM 1013 CB GLN A 63 -10.508 -8.705 1.166 1.00 15.24 C ATOM 1014 CG GLN A 63 -11.996 -8.707 1.500 1.00 64.14 C ATOM 1015 CD GLN A 63 -12.750 -7.566 0.857 1.00 61.45 C ATOM 1016 OE1 GLN A 63 -13.695 -7.030 1.437 1.00 22.03 O ATOM 1017 NE2 GLN A 63 -12.370 -7.212 -0.358 1.00 74.52 N ATOM 0 H GLN A 63 -9.383 -6.176 0.400 1.00 54.23 H new ATOM 0 HA GLN A 63 -10.074 -7.525 2.922 1.00 3.22 H new ATOM 0 HB2 GLN A 63 -10.389 -8.560 0.092 1.00 15.24 H new ATOM 0 HB3 GLN A 63 -10.093 -9.685 1.404 1.00 15.24 H new ATOM 0 HG2 GLN A 63 -12.433 -9.652 1.177 1.00 64.14 H new ATOM 0 HG3 GLN A 63 -12.119 -8.652 2.582 1.00 64.14 H new ATOM 0 HE21 GLN A 63 -11.582 -7.682 -0.803 1.00 74.52 H new ATOM 0 HE22 GLN A 63 -12.865 -6.469 -0.851 1.00 74.52 H new ATOM 1026 N PHE A 64 -7.383 -7.496 1.157 1.00 25.55 N ATOM 1027 CA PHE A 64 -5.982 -7.902 1.135 1.00 53.14 C ATOM 1028 C PHE A 64 -5.111 -7.062 2.068 1.00 61.25 C ATOM 1029 O PHE A 64 -3.954 -7.401 2.313 1.00 21.11 O ATOM 1030 CB PHE A 64 -5.430 -7.884 -0.292 1.00 51.53 C ATOM 1031 CG PHE A 64 -6.093 -8.887 -1.200 1.00 44.34 C ATOM 1032 CD1 PHE A 64 -6.062 -10.240 -0.898 1.00 31.45 C ATOM 1033 CD2 PHE A 64 -6.749 -8.480 -2.348 1.00 72.42 C ATOM 1034 CE1 PHE A 64 -6.671 -11.163 -1.724 1.00 52.03 C ATOM 1035 CE2 PHE A 64 -7.360 -9.399 -3.180 1.00 23.44 C ATOM 1036 CZ PHE A 64 -7.321 -10.742 -2.866 1.00 54.45 C ATOM 0 H PHE A 64 -7.628 -6.762 0.492 1.00 25.55 H new ATOM 0 HA PHE A 64 -5.946 -8.925 1.509 1.00 53.14 H new ATOM 0 HB2 PHE A 64 -5.557 -6.886 -0.711 1.00 51.53 H new ATOM 0 HB3 PHE A 64 -4.359 -8.083 -0.262 1.00 51.53 H new ATOM 0 HD1 PHE A 64 -5.555 -10.576 -0.005 1.00 31.45 H new ATOM 0 HD2 PHE A 64 -6.784 -7.430 -2.597 1.00 72.42 H new ATOM 0 HE1 PHE A 64 -6.639 -12.214 -1.477 1.00 52.03 H new ATOM 0 HE2 PHE A 64 -7.867 -9.067 -4.074 1.00 23.44 H new ATOM 0 HZ PHE A 64 -7.799 -11.463 -3.513 1.00 54.45 H new ATOM 1046 N SER A 65 -5.658 -5.977 2.582 1.00 43.32 N ATOM 1047 CA SER A 65 -4.927 -5.144 3.526 1.00 42.12 C ATOM 1048 C SER A 65 -5.068 -5.699 4.938 1.00 3.32 C ATOM 1049 O SER A 65 -6.160 -6.090 5.350 1.00 34.44 O ATOM 1050 CB SER A 65 -5.445 -3.706 3.494 1.00 61.03 C ATOM 1051 OG SER A 65 -5.378 -3.163 2.193 1.00 61.30 O ATOM 0 H SER A 65 -6.600 -5.651 2.366 1.00 43.32 H new ATOM 0 HA SER A 65 -3.876 -5.149 3.236 1.00 42.12 H new ATOM 0 HB2 SER A 65 -6.476 -3.681 3.848 1.00 61.03 H new ATOM 0 HB3 SER A 65 -4.859 -3.091 4.177 1.00 61.03 H new ATOM 0 HG SER A 65 -6.284 -2.974 1.870 1.00 61.30 H new ATOM 1057 N ASP A 66 -3.967 -5.739 5.676 1.00 24.05 N ATOM 1058 CA ASP A 66 -3.995 -6.220 7.057 1.00 14.13 C ATOM 1059 C ASP A 66 -4.388 -5.081 7.997 1.00 52.12 C ATOM 1060 O ASP A 66 -4.694 -5.297 9.175 1.00 42.15 O ATOM 1061 CB ASP A 66 -2.632 -6.802 7.470 1.00 41.23 C ATOM 1062 CG ASP A 66 -1.589 -5.741 7.766 1.00 31.22 C ATOM 1063 OD1 ASP A 66 -1.494 -5.304 8.931 1.00 30.22 O ATOM 1064 OD2 ASP A 66 -0.858 -5.348 6.848 1.00 53.02 O ATOM 0 H ASP A 66 -3.047 -5.447 5.347 1.00 24.05 H new ATOM 0 HA ASP A 66 -4.736 -7.016 7.126 1.00 14.13 H new ATOM 0 HB2 ASP A 66 -2.765 -7.427 8.353 1.00 41.23 H new ATOM 0 HB3 ASP A 66 -2.265 -7.449 6.673 1.00 41.23 H new ATOM 1069 N SER A 67 -4.383 -3.876 7.457 1.00 14.50 N ATOM 1070 CA SER A 67 -4.738 -2.685 8.201 1.00 74.02 C ATOM 1071 C SER A 67 -6.260 -2.544 8.313 1.00 23.24 C ATOM 1072 O SER A 67 -7.010 -3.127 7.522 1.00 34.13 O ATOM 1073 CB SER A 67 -4.143 -1.450 7.505 1.00 31.12 C ATOM 1074 OG SER A 67 -4.586 -0.243 8.103 1.00 41.13 O ATOM 0 H SER A 67 -4.131 -3.697 6.485 1.00 14.50 H new ATOM 0 HA SER A 67 -4.331 -2.767 9.209 1.00 74.02 H new ATOM 0 HB2 SER A 67 -3.055 -1.498 7.547 1.00 31.12 H new ATOM 0 HB3 SER A 67 -4.422 -1.457 6.451 1.00 31.12 H new ATOM 0 HG SER A 67 -4.186 0.520 7.635 1.00 41.13 H new ATOM 1080 N SER A 68 -6.705 -1.764 9.290 1.00 5.20 N ATOM 1081 CA SER A 68 -8.119 -1.510 9.490 1.00 63.33 C ATOM 1082 C SER A 68 -8.663 -0.632 8.357 1.00 53.03 C ATOM 1083 O SER A 68 -9.871 -0.600 8.108 1.00 64.55 O ATOM 1084 CB SER A 68 -8.346 -0.837 10.846 1.00 41.54 C ATOM 1085 OG SER A 68 -7.735 -1.582 11.892 1.00 41.41 O ATOM 0 H SER A 68 -6.097 -1.294 9.961 1.00 5.20 H new ATOM 0 HA SER A 68 -8.654 -2.460 9.480 1.00 63.33 H new ATOM 0 HB2 SER A 68 -7.938 0.173 10.828 1.00 41.54 H new ATOM 0 HB3 SER A 68 -9.415 -0.745 11.036 1.00 41.54 H new ATOM 0 HG SER A 68 -7.892 -1.132 12.749 1.00 41.41 H new ATOM 1091 N SER A 69 -7.750 0.052 7.655 1.00 21.11 N ATOM 1092 CA SER A 69 -8.105 0.918 6.530 1.00 62.32 C ATOM 1093 C SER A 69 -8.635 0.105 5.343 1.00 31.05 C ATOM 1094 O SER A 69 -9.053 0.670 4.330 1.00 2.33 O ATOM 1095 CB SER A 69 -6.893 1.742 6.095 1.00 64.13 C ATOM 1096 OG SER A 69 -6.372 2.497 7.176 1.00 1.12 O ATOM 0 H SER A 69 -6.750 0.019 7.852 1.00 21.11 H new ATOM 0 HA SER A 69 -8.898 1.588 6.863 1.00 62.32 H new ATOM 0 HB2 SER A 69 -6.120 1.079 5.705 1.00 64.13 H new ATOM 0 HB3 SER A 69 -7.178 2.412 5.284 1.00 64.13 H new ATOM 0 HG SER A 69 -5.597 3.013 6.871 1.00 1.12 H new ATOM 1102 N ALA A 70 -8.592 -1.219 5.472 1.00 52.01 N ATOM 1103 CA ALA A 70 -9.074 -2.122 4.436 1.00 71.34 C ATOM 1104 C ALA A 70 -10.497 -1.766 4.008 1.00 74.32 C ATOM 1105 O ALA A 70 -10.770 -1.573 2.826 1.00 12.14 O ATOM 1106 CB ALA A 70 -9.019 -3.561 4.929 1.00 71.13 C ATOM 0 H ALA A 70 -8.223 -1.693 6.296 1.00 52.01 H new ATOM 0 HA ALA A 70 -8.425 -2.016 3.567 1.00 71.34 H new ATOM 0 HB1 ALA A 70 -9.382 -4.228 4.147 1.00 71.13 H new ATOM 0 HB2 ALA A 70 -7.990 -3.821 5.179 1.00 71.13 H new ATOM 0 HB3 ALA A 70 -9.646 -3.666 5.815 1.00 71.13 H new ATOM 1112 N LYS A 71 -11.391 -1.630 4.977 1.00 43.52 N ATOM 1113 CA LYS A 71 -12.789 -1.332 4.684 1.00 10.04 C ATOM 1114 C LYS A 71 -13.000 0.139 4.317 1.00 61.33 C ATOM 1115 O LYS A 71 -14.131 0.580 4.110 1.00 64.05 O ATOM 1116 CB LYS A 71 -13.692 -1.746 5.845 1.00 14.01 C ATOM 1117 CG LYS A 71 -13.739 -3.254 6.075 1.00 52.33 C ATOM 1118 CD LYS A 71 -14.255 -3.990 4.842 1.00 52.13 C ATOM 1119 CE LYS A 71 -14.330 -5.488 5.076 1.00 41.31 C ATOM 1120 NZ LYS A 71 -14.832 -6.212 3.880 1.00 0.44 N ATOM 0 H LYS A 71 -11.176 -1.721 5.970 1.00 43.52 H new ATOM 0 HA LYS A 71 -13.067 -1.921 3.810 1.00 10.04 H new ATOM 0 HB2 LYS A 71 -13.345 -1.259 6.756 1.00 14.01 H new ATOM 0 HB3 LYS A 71 -14.703 -1.384 5.655 1.00 14.01 H new ATOM 0 HG2 LYS A 71 -12.742 -3.616 6.326 1.00 52.33 H new ATOM 0 HG3 LYS A 71 -14.382 -3.474 6.927 1.00 52.33 H new ATOM 0 HD2 LYS A 71 -15.243 -3.612 4.579 1.00 52.13 H new ATOM 0 HD3 LYS A 71 -13.600 -3.786 3.995 1.00 52.13 H new ATOM 0 HE2 LYS A 71 -13.341 -5.864 5.339 1.00 41.31 H new ATOM 0 HE3 LYS A 71 -14.984 -5.690 5.924 1.00 41.31 H new ATOM 0 HZ1 LYS A 71 -15.172 -7.154 4.162 1.00 0.44 H new ATOM 0 HZ2 LYS A 71 -15.613 -5.676 3.452 1.00 0.44 H new ATOM 0 HZ3 LYS A 71 -14.063 -6.314 3.188 1.00 0.44 H new ATOM 1134 N ALA A 72 -11.913 0.883 4.229 1.00 64.24 N ATOM 1135 CA ALA A 72 -11.965 2.269 3.804 1.00 32.24 C ATOM 1136 C ALA A 72 -11.558 2.353 2.339 1.00 4.10 C ATOM 1137 O ALA A 72 -11.289 3.435 1.808 1.00 71.32 O ATOM 1138 CB ALA A 72 -11.055 3.132 4.668 1.00 52.43 C ATOM 0 H ALA A 72 -10.975 0.546 4.448 1.00 64.24 H new ATOM 0 HA ALA A 72 -12.981 2.646 3.919 1.00 32.24 H new ATOM 0 HB1 ALA A 72 -11.109 4.168 4.332 1.00 52.43 H new ATOM 0 HB2 ALA A 72 -11.375 3.071 5.708 1.00 52.43 H new ATOM 0 HB3 ALA A 72 -10.028 2.776 4.583 1.00 52.43 H new ATOM 1144 N ARG A 73 -11.501 1.173 1.699 1.00 31.23 N ATOM 1145 CA ARG A 73 -11.144 1.034 0.284 1.00 74.25 C ATOM 1146 C ARG A 73 -9.676 1.356 0.037 1.00 21.21 C ATOM 1147 O ARG A 73 -9.257 1.565 -1.100 1.00 44.33 O ATOM 1148 CB ARG A 73 -12.063 1.877 -0.607 1.00 63.20 C ATOM 1149 CG ARG A 73 -13.467 1.306 -0.739 1.00 42.14 C ATOM 1150 CD ARG A 73 -14.359 2.197 -1.587 1.00 73.41 C ATOM 1151 NE ARG A 73 -14.761 3.414 -0.877 1.00 44.12 N ATOM 1152 CZ ARG A 73 -15.115 4.555 -1.475 1.00 32.12 C ATOM 1153 NH1 ARG A 73 -14.985 4.691 -2.788 1.00 11.15 N ATOM 1154 NH2 ARG A 73 -15.565 5.575 -0.749 1.00 64.11 N ATOM 0 H ARG A 73 -11.704 0.284 2.156 1.00 31.23 H new ATOM 0 HA ARG A 73 -11.291 -0.012 0.013 1.00 74.25 H new ATOM 0 HB2 ARG A 73 -12.126 2.886 -0.200 1.00 63.20 H new ATOM 0 HB3 ARG A 73 -11.618 1.961 -1.599 1.00 63.20 H new ATOM 0 HG2 ARG A 73 -13.415 0.313 -1.185 1.00 42.14 H new ATOM 0 HG3 ARG A 73 -13.907 1.188 0.251 1.00 42.14 H new ATOM 0 HD2 ARG A 73 -13.833 2.469 -2.502 1.00 73.41 H new ATOM 0 HD3 ARG A 73 -15.248 1.641 -1.884 1.00 73.41 H new ATOM 0 HE ARG A 73 -14.771 3.388 0.143 1.00 44.12 H new ATOM 0 HH11 ARG A 73 -14.613 3.922 -3.346 1.00 11.15 H new ATOM 0 HH12 ARG A 73 -15.257 5.564 -3.240 1.00 11.15 H new ATOM 0 HH21 ARG A 73 -15.640 5.486 0.264 1.00 64.11 H new ATOM 0 HH22 ARG A 73 -15.835 6.446 -1.206 1.00 64.11 H new ATOM 1168 N GLY A 74 -8.897 1.369 1.110 1.00 43.32 N ATOM 1169 CA GLY A 74 -7.475 1.614 0.996 1.00 70.42 C ATOM 1170 C GLY A 74 -7.125 3.085 0.913 1.00 53.42 C ATOM 1171 O GLY A 74 -5.957 3.435 0.756 1.00 31.12 O ATOM 0 H GLY A 74 -9.228 1.213 2.062 1.00 43.32 H new ATOM 0 HA2 GLY A 74 -6.968 1.175 1.855 1.00 70.42 H new ATOM 0 HA3 GLY A 74 -7.096 1.107 0.109 1.00 70.42 H new ATOM 1175 N ASP A 75 -8.119 3.947 1.023 1.00 32.23 N ATOM 1176 CA ASP A 75 -7.877 5.384 0.952 1.00 71.43 C ATOM 1177 C ASP A 75 -7.219 5.888 2.221 1.00 44.14 C ATOM 1178 O ASP A 75 -7.613 5.524 3.329 1.00 33.34 O ATOM 1179 CB ASP A 75 -9.170 6.157 0.692 1.00 2.04 C ATOM 1180 CG ASP A 75 -8.969 7.666 0.751 1.00 45.43 C ATOM 1181 OD1 ASP A 75 -8.116 8.188 0.007 1.00 5.30 O ATOM 1182 OD2 ASP A 75 -9.664 8.335 1.550 1.00 62.14 O ATOM 0 H ASP A 75 -9.095 3.685 1.161 1.00 32.23 H new ATOM 0 HA ASP A 75 -7.201 5.556 0.114 1.00 71.43 H new ATOM 0 HB2 ASP A 75 -9.562 5.884 -0.288 1.00 2.04 H new ATOM 0 HB3 ASP A 75 -9.919 5.864 1.428 1.00 2.04 H new ATOM 1187 N LEU A 76 -6.202 6.705 2.052 1.00 72.02 N ATOM 1188 CA LEU A 76 -5.496 7.290 3.171 1.00 62.15 C ATOM 1189 C LEU A 76 -5.967 8.733 3.350 1.00 75.03 C ATOM 1190 O LEU A 76 -5.839 9.323 4.425 1.00 51.22 O ATOM 1191 CB LEU A 76 -3.979 7.231 2.903 1.00 60.34 C ATOM 1192 CG LEU A 76 -3.049 7.239 4.128 1.00 31.52 C ATOM 1193 CD1 LEU A 76 -1.676 6.724 3.734 1.00 74.35 C ATOM 1194 CD2 LEU A 76 -2.926 8.635 4.718 1.00 31.23 C ATOM 0 H LEU A 76 -5.842 6.982 1.139 1.00 72.02 H new ATOM 0 HA LEU A 76 -5.703 6.737 4.087 1.00 62.15 H new ATOM 0 HB2 LEU A 76 -3.772 6.329 2.328 1.00 60.34 H new ATOM 0 HB3 LEU A 76 -3.714 8.079 2.272 1.00 60.34 H new ATOM 0 HG LEU A 76 -3.481 6.587 4.887 1.00 31.52 H new ATOM 0 HD11 LEU A 76 -1.021 6.732 4.605 1.00 74.35 H new ATOM 0 HD12 LEU A 76 -1.764 5.706 3.355 1.00 74.35 H new ATOM 0 HD13 LEU A 76 -1.256 7.364 2.958 1.00 74.35 H new ATOM 0 HD21 LEU A 76 -2.262 8.608 5.582 1.00 31.23 H new ATOM 0 HD22 LEU A 76 -2.517 9.312 3.968 1.00 31.23 H new ATOM 0 HD23 LEU A 76 -3.910 8.987 5.027 1.00 31.23 H new ATOM 1206 N GLY A 77 -6.551 9.278 2.295 1.00 54.03 N ATOM 1207 CA GLY A 77 -7.014 10.638 2.323 1.00 60.24 C ATOM 1208 C GLY A 77 -5.921 11.604 1.951 1.00 1.31 C ATOM 1209 O GLY A 77 -4.817 11.191 1.596 1.00 63.13 O ATOM 0 H GLY A 77 -6.711 8.792 1.413 1.00 54.03 H new ATOM 0 HA2 GLY A 77 -7.851 10.752 1.634 1.00 60.24 H new ATOM 0 HA3 GLY A 77 -7.387 10.876 3.319 1.00 60.24 H new ATOM 1213 N ALA A 78 -6.220 12.881 2.017 1.00 40.42 N ATOM 1214 CA ALA A 78 -5.245 13.897 1.691 1.00 75.20 C ATOM 1215 C ALA A 78 -4.435 14.260 2.920 1.00 24.04 C ATOM 1216 O ALA A 78 -4.991 14.480 4.000 1.00 35.13 O ATOM 1217 CB ALA A 78 -5.925 15.127 1.109 1.00 61.15 C ATOM 0 H ALA A 78 -7.133 13.242 2.294 1.00 40.42 H new ATOM 0 HA ALA A 78 -4.567 13.499 0.936 1.00 75.20 H new ATOM 0 HB1 ALA A 78 -5.173 15.880 0.870 1.00 61.15 H new ATOM 0 HB2 ALA A 78 -6.462 14.851 0.202 1.00 61.15 H new ATOM 0 HB3 ALA A 78 -6.627 15.533 1.837 1.00 61.15 H new ATOM 1223 N PHE A 79 -3.133 14.295 2.759 1.00 22.31 N ATOM 1224 CA PHE A 79 -2.230 14.647 3.833 1.00 34.40 C ATOM 1225 C PHE A 79 -1.204 15.654 3.341 1.00 53.41 C ATOM 1226 O PHE A 79 -0.915 15.722 2.144 1.00 23.15 O ATOM 1227 CB PHE A 79 -1.547 13.391 4.415 1.00 33.42 C ATOM 1228 CG PHE A 79 -0.970 12.452 3.383 1.00 45.53 C ATOM 1229 CD1 PHE A 79 -1.754 11.460 2.814 1.00 5.13 C ATOM 1230 CD2 PHE A 79 0.353 12.557 2.990 1.00 21.23 C ATOM 1231 CE1 PHE A 79 -1.232 10.593 1.875 1.00 10.31 C ATOM 1232 CE2 PHE A 79 0.882 11.690 2.050 1.00 72.34 C ATOM 1233 CZ PHE A 79 0.088 10.708 1.493 1.00 61.21 C ATOM 0 H PHE A 79 -2.667 14.080 1.877 1.00 22.31 H new ATOM 0 HA PHE A 79 -2.805 15.107 4.637 1.00 34.40 H new ATOM 0 HB2 PHE A 79 -0.748 13.706 5.086 1.00 33.42 H new ATOM 0 HB3 PHE A 79 -2.273 12.845 5.018 1.00 33.42 H new ATOM 0 HD1 PHE A 79 -2.788 11.364 3.110 1.00 5.13 H new ATOM 0 HD2 PHE A 79 0.979 13.324 3.422 1.00 21.23 H new ATOM 0 HE1 PHE A 79 -1.856 9.826 1.440 1.00 10.31 H new ATOM 0 HE2 PHE A 79 1.916 11.782 1.752 1.00 72.34 H new ATOM 0 HZ PHE A 79 0.500 10.031 0.759 1.00 61.21 H new ATOM 1243 N SER A 80 -0.672 16.442 4.251 1.00 31.34 N ATOM 1244 CA SER A 80 0.281 17.466 3.895 1.00 52.32 C ATOM 1245 C SER A 80 1.722 16.990 4.065 1.00 3.23 C ATOM 1246 O SER A 80 2.373 16.603 3.097 1.00 72.31 O ATOM 1247 CB SER A 80 0.026 18.718 4.727 1.00 4.54 C ATOM 1248 OG SER A 80 -0.126 18.385 6.101 1.00 4.12 O ATOM 0 H SER A 80 -0.886 16.391 5.247 1.00 31.34 H new ATOM 0 HA SER A 80 0.145 17.700 2.839 1.00 52.32 H new ATOM 0 HB2 SER A 80 0.854 19.416 4.606 1.00 4.54 H new ATOM 0 HB3 SER A 80 -0.871 19.223 4.368 1.00 4.54 H new ATOM 0 HG SER A 80 -0.287 19.201 6.619 1.00 4.12 H new ATOM 1254 N ARG A 81 2.215 17.024 5.293 1.00 42.34 N ATOM 1255 CA ARG A 81 3.583 16.623 5.578 1.00 2.25 C ATOM 1256 C ARG A 81 3.762 16.323 7.060 1.00 51.43 C ATOM 1257 O ARG A 81 3.246 17.046 7.923 1.00 72.31 O ATOM 1258 CB ARG A 81 4.572 17.708 5.111 1.00 33.43 C ATOM 1259 CG ARG A 81 4.360 19.074 5.752 1.00 50.14 C ATOM 1260 CD ARG A 81 5.000 20.186 4.931 1.00 35.51 C ATOM 1261 NE ARG A 81 6.431 19.964 4.694 1.00 43.12 N ATOM 1262 CZ ARG A 81 6.987 19.846 3.477 1.00 43.25 C ATOM 1263 NH1 ARG A 81 6.225 19.849 2.382 1.00 61.50 N ATOM 1264 NH2 ARG A 81 8.301 19.704 3.358 1.00 14.54 N ATOM 0 H ARG A 81 1.686 17.326 6.111 1.00 42.34 H new ATOM 0 HA ARG A 81 3.795 15.708 5.024 1.00 2.25 H new ATOM 0 HB2 ARG A 81 5.587 17.373 5.326 1.00 33.43 H new ATOM 0 HB3 ARG A 81 4.493 17.812 4.029 1.00 33.43 H new ATOM 0 HG2 ARG A 81 3.292 19.266 5.855 1.00 50.14 H new ATOM 0 HG3 ARG A 81 4.782 19.074 6.757 1.00 50.14 H new ATOM 0 HD2 ARG A 81 4.486 20.267 3.973 1.00 35.51 H new ATOM 0 HD3 ARG A 81 4.865 21.137 5.447 1.00 35.51 H new ATOM 0 HE ARG A 81 7.044 19.895 5.507 1.00 43.12 H new ATOM 0 HH11 ARG A 81 5.213 19.941 2.465 1.00 61.50 H new ATOM 0 HH12 ARG A 81 6.655 19.759 1.461 1.00 61.50 H new ATOM 0 HH21 ARG A 81 8.889 19.684 4.191 1.00 14.54 H new ATOM 0 HH22 ARG A 81 8.723 19.614 2.434 1.00 14.54 H new ATOM 1278 N GLY A 82 4.467 15.242 7.346 1.00 55.40 N ATOM 1279 CA GLY A 82 4.700 14.835 8.711 1.00 43.24 C ATOM 1280 C GLY A 82 3.510 14.097 9.279 1.00 74.31 C ATOM 1281 O GLY A 82 3.404 13.906 10.494 1.00 73.55 O ATOM 0 H GLY A 82 4.887 14.632 6.645 1.00 55.40 H new ATOM 0 HA2 GLY A 82 5.581 14.195 8.756 1.00 43.24 H new ATOM 0 HA3 GLY A 82 4.911 15.712 9.322 1.00 43.24 H new ATOM 1285 N GLN A 83 2.627 13.659 8.397 1.00 45.14 N ATOM 1286 CA GLN A 83 1.402 12.993 8.799 1.00 71.45 C ATOM 1287 C GLN A 83 1.505 11.493 8.578 1.00 71.22 C ATOM 1288 O GLN A 83 0.990 10.700 9.369 1.00 14.32 O ATOM 1289 CB GLN A 83 0.212 13.557 8.015 1.00 23.33 C ATOM 1290 CG GLN A 83 0.029 15.061 8.163 1.00 34.14 C ATOM 1291 CD GLN A 83 -0.218 15.480 9.599 1.00 54.21 C ATOM 1292 OE1 GLN A 83 0.716 15.765 10.348 1.00 52.21 O ATOM 1293 NE2 GLN A 83 -1.475 15.526 9.990 1.00 34.11 N ATOM 0 H GLN A 83 2.739 13.755 7.388 1.00 45.14 H new ATOM 0 HA GLN A 83 1.248 13.175 9.863 1.00 71.45 H new ATOM 0 HB2 GLN A 83 0.340 13.319 6.959 1.00 23.33 H new ATOM 0 HB3 GLN A 83 -0.698 13.056 8.346 1.00 23.33 H new ATOM 0 HG2 GLN A 83 0.917 15.570 7.788 1.00 34.14 H new ATOM 0 HG3 GLN A 83 -0.809 15.384 7.545 1.00 34.14 H new ATOM 0 HE21 GLN A 83 -2.221 15.282 9.339 1.00 34.11 H new ATOM 0 HE22 GLN A 83 -1.702 15.806 10.944 1.00 34.11 H new ATOM 1302 N MET A 84 2.173 11.107 7.511 1.00 63.01 N ATOM 1303 CA MET A 84 2.337 9.704 7.178 1.00 20.04 C ATOM 1304 C MET A 84 3.819 9.353 7.115 1.00 4.34 C ATOM 1305 O MET A 84 4.656 10.241 6.952 1.00 54.24 O ATOM 1306 CB MET A 84 1.622 9.402 5.845 1.00 24.11 C ATOM 1307 CG MET A 84 1.727 7.956 5.365 1.00 14.33 C ATOM 1308 SD MET A 84 1.331 6.736 6.647 1.00 72.13 S ATOM 1309 CE MET A 84 -0.268 7.319 7.227 1.00 21.32 C ATOM 0 H MET A 84 2.615 11.750 6.854 1.00 63.01 H new ATOM 0 HA MET A 84 1.884 9.085 7.952 1.00 20.04 H new ATOM 0 HB2 MET A 84 0.568 9.658 5.950 1.00 24.11 H new ATOM 0 HB3 MET A 84 2.033 10.055 5.075 1.00 24.11 H new ATOM 0 HG2 MET A 84 1.055 7.813 4.519 1.00 14.33 H new ATOM 0 HG3 MET A 84 2.739 7.775 5.003 1.00 14.33 H new ATOM 0 HE1 MET A 84 -0.155 7.771 8.213 1.00 21.32 H new ATOM 0 HE2 MET A 84 -0.659 8.061 6.531 1.00 21.32 H new ATOM 0 HE3 MET A 84 -0.960 6.480 7.290 1.00 21.32 H new ATOM 1319 N GLN A 85 4.136 8.065 7.281 1.00 72.11 N ATOM 1320 CA GLN A 85 5.522 7.586 7.255 1.00 43.23 C ATOM 1321 C GLN A 85 6.279 8.137 6.056 1.00 22.02 C ATOM 1322 O GLN A 85 5.762 8.139 4.933 1.00 10.33 O ATOM 1323 CB GLN A 85 5.569 6.056 7.245 1.00 3.12 C ATOM 1324 CG GLN A 85 4.934 5.407 8.463 1.00 72.43 C ATOM 1325 CD GLN A 85 5.500 5.932 9.769 1.00 32.13 C ATOM 1326 OE1 GLN A 85 4.983 6.890 10.344 1.00 73.41 O ATOM 1327 NE2 GLN A 85 6.566 5.320 10.237 1.00 52.24 N ATOM 0 H GLN A 85 3.446 7.330 7.436 1.00 72.11 H new ATOM 0 HA GLN A 85 6.008 7.948 8.161 1.00 43.23 H new ATOM 0 HB2 GLN A 85 5.064 5.694 6.349 1.00 3.12 H new ATOM 0 HB3 GLN A 85 6.609 5.736 7.177 1.00 3.12 H new ATOM 0 HG2 GLN A 85 3.858 5.580 8.442 1.00 72.43 H new ATOM 0 HG3 GLN A 85 5.084 4.328 8.414 1.00 72.43 H new ATOM 0 HE21 GLN A 85 6.964 4.529 9.730 1.00 52.24 H new ATOM 0 HE22 GLN A 85 6.995 5.636 11.107 1.00 52.24 H new ATOM 1336 N LYS A 86 7.505 8.584 6.306 1.00 50.24 N ATOM 1337 CA LYS A 86 8.362 9.204 5.289 1.00 31.52 C ATOM 1338 C LYS A 86 8.431 8.375 3.981 1.00 4.24 C ATOM 1339 O LYS A 86 8.177 8.916 2.911 1.00 42.24 O ATOM 1340 CB LYS A 86 9.772 9.465 5.869 1.00 22.41 C ATOM 1341 CG LYS A 86 10.618 10.487 5.098 1.00 10.53 C ATOM 1342 CD LYS A 86 11.217 9.908 3.824 1.00 31.24 C ATOM 1343 CE LYS A 86 12.122 10.920 3.136 1.00 33.05 C ATOM 1344 NZ LYS A 86 12.712 10.385 1.880 1.00 13.34 N ATOM 0 H LYS A 86 7.940 8.528 7.227 1.00 50.24 H new ATOM 0 HA LYS A 86 7.912 10.159 5.018 1.00 31.52 H new ATOM 0 HB2 LYS A 86 9.666 9.808 6.898 1.00 22.41 H new ATOM 0 HB3 LYS A 86 10.314 8.520 5.902 1.00 22.41 H new ATOM 0 HG2 LYS A 86 10.000 11.349 4.846 1.00 10.53 H new ATOM 0 HG3 LYS A 86 11.421 10.848 5.741 1.00 10.53 H new ATOM 0 HD2 LYS A 86 11.786 9.009 4.062 1.00 31.24 H new ATOM 0 HD3 LYS A 86 10.418 9.610 3.145 1.00 31.24 H new ATOM 0 HE2 LYS A 86 11.552 11.821 2.912 1.00 33.05 H new ATOM 0 HE3 LYS A 86 12.923 11.210 3.816 1.00 33.05 H new ATOM 0 HZ1 LYS A 86 13.386 11.075 1.491 1.00 13.34 H new ATOM 0 HZ2 LYS A 86 13.208 9.493 2.082 1.00 13.34 H new ATOM 0 HZ3 LYS A 86 11.956 10.212 1.188 1.00 13.34 H new ATOM 1358 N PRO A 87 8.760 7.048 4.043 1.00 43.50 N ATOM 1359 CA PRO A 87 8.859 6.193 2.838 1.00 15.53 C ATOM 1360 C PRO A 87 7.597 6.228 1.958 1.00 30.23 C ATOM 1361 O PRO A 87 7.662 5.963 0.757 1.00 45.51 O ATOM 1362 CB PRO A 87 9.064 4.776 3.411 1.00 23.12 C ATOM 1363 CG PRO A 87 8.714 4.886 4.858 1.00 24.21 C ATOM 1364 CD PRO A 87 9.075 6.278 5.259 1.00 50.12 C ATOM 0 HA PRO A 87 9.662 6.533 2.184 1.00 15.53 H new ATOM 0 HB2 PRO A 87 8.427 4.051 2.905 1.00 23.12 H new ATOM 0 HB3 PRO A 87 10.093 4.443 3.279 1.00 23.12 H new ATOM 0 HG2 PRO A 87 7.653 4.695 5.019 1.00 24.21 H new ATOM 0 HG3 PRO A 87 9.263 4.154 5.450 1.00 24.21 H new ATOM 0 HD2 PRO A 87 8.494 6.617 6.117 1.00 50.12 H new ATOM 0 HD3 PRO A 87 10.127 6.362 5.532 1.00 50.12 H new ATOM 1372 N PHE A 88 6.464 6.560 2.560 1.00 2.11 N ATOM 1373 CA PHE A 88 5.205 6.617 1.839 1.00 43.31 C ATOM 1374 C PHE A 88 4.865 8.060 1.464 1.00 15.45 C ATOM 1375 O PHE A 88 4.616 8.373 0.295 1.00 74.32 O ATOM 1376 CB PHE A 88 4.076 6.018 2.698 1.00 21.54 C ATOM 1377 CG PHE A 88 2.747 5.912 1.988 1.00 61.34 C ATOM 1378 CD1 PHE A 88 1.927 7.023 1.840 1.00 43.55 C ATOM 1379 CD2 PHE A 88 2.324 4.704 1.471 1.00 40.31 C ATOM 1380 CE1 PHE A 88 0.715 6.925 1.189 1.00 4.44 C ATOM 1381 CE2 PHE A 88 1.112 4.601 0.820 1.00 34.34 C ATOM 1382 CZ PHE A 88 0.307 5.714 0.679 1.00 21.01 C ATOM 0 H PHE A 88 6.393 6.795 3.550 1.00 2.11 H new ATOM 0 HA PHE A 88 5.305 6.034 0.924 1.00 43.31 H new ATOM 0 HB2 PHE A 88 4.377 5.025 3.032 1.00 21.54 H new ATOM 0 HB3 PHE A 88 3.950 6.630 3.591 1.00 21.54 H new ATOM 0 HD1 PHE A 88 2.242 7.976 2.240 1.00 43.55 H new ATOM 0 HD2 PHE A 88 2.949 3.830 1.577 1.00 40.31 H new ATOM 0 HE1 PHE A 88 0.087 7.797 1.080 1.00 4.44 H new ATOM 0 HE2 PHE A 88 0.793 3.650 0.421 1.00 34.34 H new ATOM 0 HZ PHE A 88 -0.642 5.634 0.169 1.00 21.01 H new ATOM 1392 N GLU A 89 4.869 8.926 2.466 1.00 43.30 N ATOM 1393 CA GLU A 89 4.500 10.327 2.297 1.00 42.40 C ATOM 1394 C GLU A 89 5.413 11.026 1.292 1.00 2.33 C ATOM 1395 O GLU A 89 4.943 11.694 0.377 1.00 22.32 O ATOM 1396 CB GLU A 89 4.558 11.037 3.649 1.00 41.43 C ATOM 1397 CG GLU A 89 4.001 12.447 3.638 1.00 2.01 C ATOM 1398 CD GLU A 89 4.134 13.127 4.976 1.00 60.53 C ATOM 1399 OE1 GLU A 89 5.174 13.782 5.209 1.00 2.13 O ATOM 1400 OE2 GLU A 89 3.210 13.016 5.807 1.00 42.12 O ATOM 0 H GLU A 89 5.128 8.679 3.421 1.00 43.30 H new ATOM 0 HA GLU A 89 3.484 10.371 1.905 1.00 42.40 H new ATOM 0 HB2 GLU A 89 4.006 10.447 4.380 1.00 41.43 H new ATOM 0 HB3 GLU A 89 5.595 11.071 3.984 1.00 41.43 H new ATOM 0 HG2 GLU A 89 4.521 13.034 2.882 1.00 2.01 H new ATOM 0 HG3 GLU A 89 2.950 12.417 3.351 1.00 2.01 H new ATOM 1407 N ASP A 90 6.712 10.840 1.458 1.00 44.03 N ATOM 1408 CA ASP A 90 7.709 11.473 0.592 1.00 4.41 C ATOM 1409 C ASP A 90 7.544 11.047 -0.861 1.00 14.30 C ATOM 1410 O ASP A 90 7.557 11.880 -1.770 1.00 42.34 O ATOM 1411 CB ASP A 90 9.114 11.134 1.087 1.00 41.54 C ATOM 1412 CG ASP A 90 10.209 11.605 0.161 1.00 73.42 C ATOM 1413 OD1 ASP A 90 10.261 12.810 -0.143 1.00 21.42 O ATOM 1414 OD2 ASP A 90 11.040 10.766 -0.247 1.00 23.13 O ATOM 0 H ASP A 90 7.109 10.251 2.190 1.00 44.03 H new ATOM 0 HA ASP A 90 7.558 12.552 0.637 1.00 4.41 H new ATOM 0 HB2 ASP A 90 9.262 11.582 2.070 1.00 41.54 H new ATOM 0 HB3 ASP A 90 9.195 10.054 1.213 1.00 41.54 H new ATOM 1419 N ALA A 91 7.353 9.752 -1.072 1.00 31.43 N ATOM 1420 CA ALA A 91 7.202 9.204 -2.414 1.00 51.52 C ATOM 1421 C ALA A 91 5.919 9.702 -3.077 1.00 40.52 C ATOM 1422 O ALA A 91 5.823 9.752 -4.302 1.00 30.21 O ATOM 1423 CB ALA A 91 7.223 7.686 -2.371 1.00 41.23 C ATOM 0 H ALA A 91 7.299 9.058 -0.327 1.00 31.43 H new ATOM 0 HA ALA A 91 8.043 9.551 -3.014 1.00 51.52 H new ATOM 0 HB1 ALA A 91 7.109 7.292 -3.381 1.00 41.23 H new ATOM 0 HB2 ALA A 91 8.171 7.347 -1.954 1.00 41.23 H new ATOM 0 HB3 ALA A 91 6.404 7.328 -1.747 1.00 41.23 H new ATOM 1429 N SER A 92 4.952 10.093 -2.261 1.00 23.13 N ATOM 1430 CA SER A 92 3.674 10.580 -2.759 1.00 1.33 C ATOM 1431 C SER A 92 3.830 11.899 -3.523 1.00 0.43 C ATOM 1432 O SER A 92 3.011 12.234 -4.376 1.00 41.25 O ATOM 1433 CB SER A 92 2.688 10.743 -1.606 1.00 45.52 C ATOM 1434 OG SER A 92 2.414 9.490 -0.995 1.00 1.34 O ATOM 0 H SER A 92 5.029 10.082 -1.244 1.00 23.13 H new ATOM 0 HA SER A 92 3.284 9.841 -3.459 1.00 1.33 H new ATOM 0 HB2 SER A 92 3.097 11.431 -0.867 1.00 45.52 H new ATOM 0 HB3 SER A 92 1.761 11.184 -1.974 1.00 45.52 H new ATOM 0 HG SER A 92 1.547 9.156 -1.308 1.00 1.34 H new ATOM 1440 N PHE A 93 4.890 12.637 -3.222 1.00 11.30 N ATOM 1441 CA PHE A 93 5.152 13.897 -3.901 1.00 12.34 C ATOM 1442 C PHE A 93 5.834 13.651 -5.238 1.00 10.33 C ATOM 1443 O PHE A 93 5.698 14.441 -6.174 1.00 23.33 O ATOM 1444 CB PHE A 93 6.020 14.812 -3.035 1.00 43.24 C ATOM 1445 CG PHE A 93 5.366 15.233 -1.752 1.00 43.23 C ATOM 1446 CD1 PHE A 93 4.473 16.288 -1.728 1.00 50.04 C ATOM 1447 CD2 PHE A 93 5.647 14.573 -0.571 1.00 73.02 C ATOM 1448 CE1 PHE A 93 3.871 16.675 -0.548 1.00 23.41 C ATOM 1449 CE2 PHE A 93 5.049 14.955 0.610 1.00 34.33 C ATOM 1450 CZ PHE A 93 4.159 16.008 0.622 1.00 3.25 C ATOM 0 H PHE A 93 5.580 12.385 -2.514 1.00 11.30 H new ATOM 0 HA PHE A 93 4.195 14.389 -4.077 1.00 12.34 H new ATOM 0 HB2 PHE A 93 6.954 14.299 -2.804 1.00 43.24 H new ATOM 0 HB3 PHE A 93 6.278 15.702 -3.609 1.00 43.24 H new ATOM 0 HD1 PHE A 93 4.244 16.815 -2.642 1.00 50.04 H new ATOM 0 HD2 PHE A 93 6.344 13.748 -0.574 1.00 73.02 H new ATOM 0 HE1 PHE A 93 3.174 17.500 -0.542 1.00 23.41 H new ATOM 0 HE2 PHE A 93 5.277 14.430 1.526 1.00 34.33 H new ATOM 0 HZ PHE A 93 3.689 16.309 1.547 1.00 3.25 H new ATOM 1460 N ALA A 94 6.560 12.545 -5.322 1.00 12.34 N ATOM 1461 CA ALA A 94 7.271 12.186 -6.537 1.00 44.41 C ATOM 1462 C ALA A 94 6.331 11.539 -7.545 1.00 1.03 C ATOM 1463 O ALA A 94 6.550 11.616 -8.755 1.00 72.40 O ATOM 1464 CB ALA A 94 8.431 11.252 -6.215 1.00 73.45 C ATOM 0 H ALA A 94 6.671 11.879 -4.558 1.00 12.34 H new ATOM 0 HA ALA A 94 7.669 13.098 -6.982 1.00 44.41 H new ATOM 0 HB1 ALA A 94 8.954 10.991 -7.135 1.00 73.45 H new ATOM 0 HB2 ALA A 94 9.121 11.750 -5.534 1.00 73.45 H new ATOM 0 HB3 ALA A 94 8.049 10.345 -5.746 1.00 73.45 H new ATOM 1470 N LEU A 95 5.292 10.897 -7.041 1.00 74.12 N ATOM 1471 CA LEU A 95 4.309 10.253 -7.893 1.00 2.24 C ATOM 1472 C LEU A 95 3.288 11.262 -8.385 1.00 0.42 C ATOM 1473 O LEU A 95 2.780 12.075 -7.609 1.00 54.52 O ATOM 1474 CB LEU A 95 3.590 9.134 -7.136 1.00 61.14 C ATOM 1475 CG LEU A 95 4.461 7.980 -6.643 1.00 31.32 C ATOM 1476 CD1 LEU A 95 3.630 7.011 -5.825 1.00 71.35 C ATOM 1477 CD2 LEU A 95 5.115 7.261 -7.814 1.00 33.15 C ATOM 0 H LEU A 95 5.107 10.808 -6.042 1.00 74.12 H new ATOM 0 HA LEU A 95 4.834 9.827 -8.748 1.00 2.24 H new ATOM 0 HB2 LEU A 95 3.085 9.573 -6.275 1.00 61.14 H new ATOM 0 HB3 LEU A 95 2.816 8.725 -7.785 1.00 61.14 H new ATOM 0 HG LEU A 95 5.249 8.388 -6.010 1.00 31.32 H new ATOM 0 HD11 LEU A 95 4.261 6.193 -5.479 1.00 71.35 H new ATOM 0 HD12 LEU A 95 3.206 7.531 -4.966 1.00 71.35 H new ATOM 0 HD13 LEU A 95 2.824 6.612 -6.441 1.00 71.35 H new ATOM 0 HD21 LEU A 95 5.731 6.443 -7.441 1.00 33.15 H new ATOM 0 HD22 LEU A 95 4.344 6.863 -8.473 1.00 33.15 H new ATOM 0 HD23 LEU A 95 5.740 7.962 -8.368 1.00 33.15 H new ATOM 1489 N ARG A 96 3.006 11.227 -9.666 1.00 15.21 N ATOM 1490 CA ARG A 96 2.014 12.103 -10.247 1.00 55.11 C ATOM 1491 C ARG A 96 0.685 11.375 -10.367 1.00 64.03 C ATOM 1492 O ARG A 96 0.618 10.157 -10.176 1.00 31.01 O ATOM 1493 CB ARG A 96 2.470 12.597 -11.618 1.00 11.44 C ATOM 1494 CG ARG A 96 3.741 13.427 -11.583 1.00 15.41 C ATOM 1495 CD ARG A 96 4.108 13.927 -12.968 1.00 24.32 C ATOM 1496 NE ARG A 96 3.087 14.824 -13.510 1.00 35.21 N ATOM 1497 CZ ARG A 96 2.834 14.987 -14.811 1.00 20.40 C ATOM 1498 NH1 ARG A 96 3.524 14.303 -15.721 1.00 41.44 N ATOM 1499 NH2 ARG A 96 1.889 15.833 -15.201 1.00 31.13 N ATOM 0 H ARG A 96 3.453 10.596 -10.331 1.00 15.21 H new ATOM 0 HA ARG A 96 1.888 12.967 -9.595 1.00 55.11 H new ATOM 0 HB2 ARG A 96 2.627 11.737 -12.269 1.00 11.44 H new ATOM 0 HB3 ARG A 96 1.672 13.192 -12.063 1.00 11.44 H new ATOM 0 HG2 ARG A 96 3.606 14.275 -10.911 1.00 15.41 H new ATOM 0 HG3 ARG A 96 4.558 12.828 -11.181 1.00 15.41 H new ATOM 0 HD2 ARG A 96 5.064 14.449 -12.925 1.00 24.32 H new ATOM 0 HD3 ARG A 96 4.238 13.078 -13.638 1.00 24.32 H new ATOM 0 HE ARG A 96 2.529 15.363 -12.847 1.00 35.21 H new ATOM 0 HH11 ARG A 96 4.250 13.650 -15.426 1.00 41.44 H new ATOM 0 HH12 ARG A 96 3.326 14.431 -16.713 1.00 41.44 H new ATOM 0 HH21 ARG A 96 1.357 16.358 -14.507 1.00 31.13 H new ATOM 0 HH22 ARG A 96 1.695 15.958 -16.195 1.00 31.13 H new ATOM 1513 N THR A 97 -0.363 12.117 -10.679 1.00 40.11 N ATOM 1514 CA THR A 97 -1.698 11.559 -10.814 1.00 25.10 C ATOM 1515 C THR A 97 -1.720 10.417 -11.839 1.00 14.13 C ATOM 1516 O THR A 97 -1.528 10.638 -13.040 1.00 62.04 O ATOM 1517 CB THR A 97 -2.696 12.649 -11.244 1.00 50.41 C ATOM 1518 OG1 THR A 97 -2.593 13.778 -10.354 1.00 12.12 O ATOM 1519 CG2 THR A 97 -4.120 12.118 -11.230 1.00 1.21 C ATOM 0 H THR A 97 -0.313 13.122 -10.846 1.00 40.11 H new ATOM 0 HA THR A 97 -1.989 11.163 -9.841 1.00 25.10 H new ATOM 0 HB THR A 97 -2.452 12.957 -12.261 1.00 50.41 H new ATOM 0 HG1 THR A 97 -3.371 13.797 -9.758 1.00 12.12 H new ATOM 0 HG21 THR A 97 -4.806 12.907 -11.538 1.00 1.21 H new ATOM 0 HG22 THR A 97 -4.202 11.277 -11.919 1.00 1.21 H new ATOM 0 HG23 THR A 97 -4.375 11.788 -10.223 1.00 1.21 H new ATOM 1527 N GLY A 98 -1.929 9.199 -11.354 1.00 32.31 N ATOM 1528 CA GLY A 98 -1.980 8.053 -12.234 1.00 2.44 C ATOM 1529 C GLY A 98 -0.825 7.098 -12.017 1.00 42.21 C ATOM 1530 O GLY A 98 -0.846 5.968 -12.508 1.00 4.14 O ATOM 0 H GLY A 98 -2.064 8.987 -10.365 1.00 32.31 H new ATOM 0 HA2 GLY A 98 -2.919 7.522 -12.079 1.00 2.44 H new ATOM 0 HA3 GLY A 98 -1.974 8.394 -13.269 1.00 2.44 H new ATOM 1534 N GLU A 99 0.188 7.541 -11.288 1.00 51.32 N ATOM 1535 CA GLU A 99 1.350 6.707 -11.028 1.00 1.44 C ATOM 1536 C GLU A 99 1.171 5.908 -9.742 1.00 71.53 C ATOM 1537 O GLU A 99 0.423 6.309 -8.845 1.00 21.31 O ATOM 1538 CB GLU A 99 2.622 7.549 -10.962 1.00 20.43 C ATOM 1539 CG GLU A 99 2.877 8.371 -12.215 1.00 52.32 C ATOM 1540 CD GLU A 99 4.259 8.976 -12.245 1.00 54.45 C ATOM 1541 OE1 GLU A 99 4.517 9.922 -11.483 1.00 72.20 O ATOM 1542 OE2 GLU A 99 5.095 8.506 -13.041 1.00 12.15 O ATOM 0 H GLU A 99 0.229 8.470 -10.868 1.00 51.32 H new ATOM 0 HA GLU A 99 1.448 6.004 -11.856 1.00 1.44 H new ATOM 0 HB2 GLU A 99 2.559 8.220 -10.105 1.00 20.43 H new ATOM 0 HB3 GLU A 99 3.474 6.891 -10.790 1.00 20.43 H new ATOM 0 HG2 GLU A 99 2.743 7.739 -13.093 1.00 52.32 H new ATOM 0 HG3 GLU A 99 2.135 9.167 -12.279 1.00 52.32 H new ATOM 1549 N MET A 100 1.855 4.783 -9.657 1.00 12.50 N ATOM 1550 CA MET A 100 1.758 3.914 -8.498 1.00 3.54 C ATOM 1551 C MET A 100 3.118 3.313 -8.169 1.00 55.20 C ATOM 1552 O MET A 100 3.796 2.775 -9.045 1.00 11.43 O ATOM 1553 CB MET A 100 0.730 2.803 -8.755 1.00 72.31 C ATOM 1554 CG MET A 100 0.528 1.854 -7.581 1.00 74.11 C ATOM 1555 SD MET A 100 -0.730 0.600 -7.907 1.00 53.03 S ATOM 1556 CE MET A 100 0.018 -0.295 -9.266 1.00 13.32 C ATOM 0 H MET A 100 2.489 4.447 -10.382 1.00 12.50 H new ATOM 0 HA MET A 100 1.427 4.506 -7.644 1.00 3.54 H new ATOM 0 HB2 MET A 100 -0.227 3.260 -9.007 1.00 72.31 H new ATOM 0 HB3 MET A 100 1.046 2.226 -9.624 1.00 72.31 H new ATOM 0 HG2 MET A 100 1.473 1.363 -7.349 1.00 74.11 H new ATOM 0 HG3 MET A 100 0.243 2.428 -6.700 1.00 74.11 H new ATOM 0 HE1 MET A 100 -0.463 -1.268 -9.369 1.00 13.32 H new ATOM 0 HE2 MET A 100 -0.108 0.272 -10.188 1.00 13.32 H new ATOM 0 HE3 MET A 100 1.081 -0.435 -9.068 1.00 13.32 H new ATOM 1566 N SER A 101 3.506 3.410 -6.912 1.00 13.34 N ATOM 1567 CA SER A 101 4.776 2.876 -6.452 1.00 73.40 C ATOM 1568 C SER A 101 4.676 1.371 -6.255 1.00 43.03 C ATOM 1569 O SER A 101 3.581 0.831 -6.073 1.00 33.13 O ATOM 1570 CB SER A 101 5.188 3.554 -5.134 1.00 22.05 C ATOM 1571 OG SER A 101 6.385 2.996 -4.604 1.00 23.34 O ATOM 0 H SER A 101 2.953 3.859 -6.182 1.00 13.34 H new ATOM 0 HA SER A 101 5.535 3.080 -7.208 1.00 73.40 H new ATOM 0 HB2 SER A 101 5.328 4.622 -5.303 1.00 22.05 H new ATOM 0 HB3 SER A 101 4.384 3.450 -4.405 1.00 22.05 H new ATOM 0 HG SER A 101 6.617 3.452 -3.768 1.00 23.34 H new ATOM 1577 N GLY A 102 5.818 0.704 -6.294 1.00 20.41 N ATOM 1578 CA GLY A 102 5.847 -0.721 -6.091 1.00 72.10 C ATOM 1579 C GLY A 102 5.880 -1.079 -4.617 1.00 13.34 C ATOM 1580 O GLY A 102 5.455 -0.282 -3.775 1.00 42.13 O ATOM 0 H GLY A 102 6.729 1.131 -6.464 1.00 20.41 H new ATOM 0 HA2 GLY A 102 4.970 -1.172 -6.555 1.00 72.10 H new ATOM 0 HA3 GLY A 102 6.722 -1.141 -6.587 1.00 72.10 H new ATOM 1584 N PRO A 103 6.390 -2.265 -4.273 1.00 71.33 N ATOM 1585 CA PRO A 103 6.441 -2.729 -2.889 1.00 14.33 C ATOM 1586 C PRO A 103 7.431 -1.941 -2.023 1.00 14.11 C ATOM 1587 O PRO A 103 8.652 -2.086 -2.159 1.00 34.01 O ATOM 1588 CB PRO A 103 6.888 -4.193 -3.014 1.00 71.25 C ATOM 1589 CG PRO A 103 7.611 -4.263 -4.315 1.00 74.44 C ATOM 1590 CD PRO A 103 6.956 -3.254 -5.214 1.00 43.42 C ATOM 0 HA PRO A 103 5.479 -2.599 -2.394 1.00 14.33 H new ATOM 0 HB2 PRO A 103 7.536 -4.480 -2.186 1.00 71.25 H new ATOM 0 HB3 PRO A 103 6.034 -4.870 -3.000 1.00 71.25 H new ATOM 0 HG2 PRO A 103 8.670 -4.039 -4.184 1.00 74.44 H new ATOM 0 HG3 PRO A 103 7.548 -5.264 -4.742 1.00 74.44 H new ATOM 0 HD2 PRO A 103 7.675 -2.796 -5.893 1.00 43.42 H new ATOM 0 HD3 PRO A 103 6.181 -3.710 -5.831 1.00 43.42 H new ATOM 1598 N VAL A 104 6.907 -1.088 -1.163 1.00 41.51 N ATOM 1599 CA VAL A 104 7.734 -0.353 -0.224 1.00 74.24 C ATOM 1600 C VAL A 104 7.883 -1.174 1.051 1.00 42.14 C ATOM 1601 O VAL A 104 6.913 -1.367 1.794 1.00 33.03 O ATOM 1602 CB VAL A 104 7.133 1.034 0.111 1.00 72.53 C ATOM 1603 CG1 VAL A 104 8.019 1.786 1.096 1.00 22.33 C ATOM 1604 CG2 VAL A 104 6.937 1.851 -1.159 1.00 51.42 C ATOM 0 H VAL A 104 5.909 -0.886 -1.095 1.00 41.51 H new ATOM 0 HA VAL A 104 8.708 -0.184 -0.684 1.00 74.24 H new ATOM 0 HB VAL A 104 6.160 0.879 0.578 1.00 72.53 H new ATOM 0 HG11 VAL A 104 7.576 2.757 1.316 1.00 22.33 H new ATOM 0 HG12 VAL A 104 8.108 1.211 2.018 1.00 22.33 H new ATOM 0 HG13 VAL A 104 9.008 1.929 0.660 1.00 22.33 H new ATOM 0 HG21 VAL A 104 6.514 2.823 -0.905 1.00 51.42 H new ATOM 0 HG22 VAL A 104 7.898 1.992 -1.653 1.00 51.42 H new ATOM 0 HG23 VAL A 104 6.258 1.324 -1.830 1.00 51.42 H new ATOM 1614 N PHE A 105 9.085 -1.670 1.289 1.00 45.55 N ATOM 1615 CA PHE A 105 9.346 -2.542 2.425 1.00 2.42 C ATOM 1616 C PHE A 105 9.610 -1.753 3.698 1.00 42.45 C ATOM 1617 O PHE A 105 10.523 -0.927 3.753 1.00 60.30 O ATOM 1618 CB PHE A 105 10.531 -3.463 2.130 1.00 11.53 C ATOM 1619 CG PHE A 105 10.345 -4.313 0.906 1.00 63.52 C ATOM 1620 CD1 PHE A 105 9.506 -5.413 0.933 1.00 3.01 C ATOM 1621 CD2 PHE A 105 11.011 -4.011 -0.272 1.00 10.52 C ATOM 1622 CE1 PHE A 105 9.333 -6.196 -0.190 1.00 12.00 C ATOM 1623 CE2 PHE A 105 10.842 -4.790 -1.398 1.00 34.34 C ATOM 1624 CZ PHE A 105 10.002 -5.883 -1.358 1.00 61.51 C ATOM 0 H PHE A 105 9.902 -1.483 0.707 1.00 45.55 H new ATOM 0 HA PHE A 105 8.450 -3.143 2.584 1.00 2.42 H new ATOM 0 HB2 PHE A 105 11.429 -2.857 2.008 1.00 11.53 H new ATOM 0 HB3 PHE A 105 10.699 -4.112 2.990 1.00 11.53 H new ATOM 0 HD1 PHE A 105 8.981 -5.662 1.843 1.00 3.01 H new ATOM 0 HD2 PHE A 105 11.670 -3.156 -0.309 1.00 10.52 H new ATOM 0 HE1 PHE A 105 8.676 -7.052 -0.156 1.00 12.00 H new ATOM 0 HE2 PHE A 105 11.367 -4.544 -2.309 1.00 34.34 H new ATOM 0 HZ PHE A 105 9.867 -6.494 -2.239 1.00 61.51 H new ATOM 1634 N THR A 106 8.809 -2.016 4.713 1.00 10.11 N ATOM 1635 CA THR A 106 8.954 -1.378 6.010 1.00 61.31 C ATOM 1636 C THR A 106 8.648 -2.384 7.118 1.00 34.34 C ATOM 1637 O THR A 106 8.300 -3.538 6.836 1.00 73.55 O ATOM 1638 CB THR A 106 8.012 -0.159 6.153 1.00 33.12 C ATOM 1639 OG1 THR A 106 6.690 -0.520 5.739 1.00 65.11 O ATOM 1640 CG2 THR A 106 8.502 1.022 5.327 1.00 44.53 C ATOM 0 H THR A 106 8.037 -2.680 4.662 1.00 10.11 H new ATOM 0 HA THR A 106 9.983 -1.027 6.095 1.00 61.31 H new ATOM 0 HB THR A 106 8.004 0.141 7.201 1.00 33.12 H new ATOM 0 HG1 THR A 106 6.664 -1.476 5.523 1.00 65.11 H new ATOM 0 HG21 THR A 106 7.817 1.861 5.450 1.00 44.53 H new ATOM 0 HG22 THR A 106 9.497 1.313 5.663 1.00 44.53 H new ATOM 0 HG23 THR A 106 8.543 0.738 4.275 1.00 44.53 H new ATOM 1648 N ASP A 107 8.767 -1.955 8.365 1.00 2.30 N ATOM 1649 CA ASP A 107 8.489 -2.827 9.507 1.00 23.40 C ATOM 1650 C ASP A 107 7.015 -3.136 9.601 1.00 55.04 C ATOM 1651 O ASP A 107 6.619 -4.228 10.019 1.00 64.02 O ATOM 1652 CB ASP A 107 8.967 -2.195 10.814 1.00 35.23 C ATOM 1653 CG ASP A 107 10.457 -2.306 11.005 1.00 12.03 C ATOM 1654 OD1 ASP A 107 10.911 -3.345 11.519 1.00 51.53 O ATOM 1655 OD2 ASP A 107 11.185 -1.354 10.646 1.00 73.55 O ATOM 0 H ASP A 107 9.054 -1.009 8.617 1.00 2.30 H new ATOM 0 HA ASP A 107 9.037 -3.756 9.349 1.00 23.40 H new ATOM 0 HB2 ASP A 107 8.681 -1.143 10.830 1.00 35.23 H new ATOM 0 HB3 ASP A 107 8.461 -2.676 11.651 1.00 35.23 H new ATOM 1660 N SER A 108 6.204 -2.182 9.184 1.00 74.13 N ATOM 1661 CA SER A 108 4.767 -2.328 9.219 1.00 61.31 C ATOM 1662 C SER A 108 4.263 -3.162 8.038 1.00 75.24 C ATOM 1663 O SER A 108 3.061 -3.320 7.852 1.00 65.42 O ATOM 1664 CB SER A 108 4.108 -0.948 9.227 1.00 22.22 C ATOM 1665 OG SER A 108 4.679 -0.106 8.234 1.00 23.12 O ATOM 0 H SER A 108 6.525 -1.288 8.813 1.00 74.13 H new ATOM 0 HA SER A 108 4.496 -2.858 10.132 1.00 61.31 H new ATOM 0 HB2 SER A 108 3.037 -1.051 9.050 1.00 22.22 H new ATOM 0 HB3 SER A 108 4.226 -0.490 10.209 1.00 22.22 H new ATOM 0 HG SER A 108 3.982 0.180 7.607 1.00 23.12 H new ATOM 1671 N GLY A 109 5.188 -3.693 7.251 1.00 43.10 N ATOM 1672 CA GLY A 109 4.818 -4.514 6.125 1.00 1.45 C ATOM 1673 C GLY A 109 5.156 -3.866 4.806 1.00 70.01 C ATOM 1674 O GLY A 109 6.021 -2.981 4.740 1.00 54.01 O ATOM 0 H GLY A 109 6.192 -3.567 7.377 1.00 43.10 H new ATOM 0 HA2 GLY A 109 5.328 -5.475 6.196 1.00 1.45 H new ATOM 0 HA3 GLY A 109 3.748 -4.718 6.163 1.00 1.45 H new ATOM 1678 N ILE A 110 4.489 -4.300 3.761 1.00 2.10 N ATOM 1679 CA ILE A 110 4.697 -3.759 2.436 1.00 72.43 C ATOM 1680 C ILE A 110 3.631 -2.720 2.130 1.00 74.23 C ATOM 1681 O ILE A 110 2.440 -2.980 2.293 1.00 13.41 O ATOM 1682 CB ILE A 110 4.654 -4.871 1.363 1.00 43.45 C ATOM 1683 CG1 ILE A 110 5.705 -5.947 1.668 1.00 30.24 C ATOM 1684 CG2 ILE A 110 4.876 -4.283 -0.025 1.00 45.32 C ATOM 1685 CD1 ILE A 110 5.687 -7.115 0.702 1.00 55.24 C ATOM 0 H ILE A 110 3.787 -5.038 3.805 1.00 2.10 H new ATOM 0 HA ILE A 110 5.684 -3.296 2.413 1.00 72.43 H new ATOM 0 HB ILE A 110 3.668 -5.335 1.384 1.00 43.45 H new ATOM 0 HG12 ILE A 110 6.694 -5.490 1.651 1.00 30.24 H new ATOM 0 HG13 ILE A 110 5.544 -6.322 2.679 1.00 30.24 H new ATOM 0 HG21 ILE A 110 4.842 -5.080 -0.768 1.00 45.32 H new ATOM 0 HG22 ILE A 110 4.095 -3.554 -0.240 1.00 45.32 H new ATOM 0 HG23 ILE A 110 5.849 -3.794 -0.062 1.00 45.32 H new ATOM 0 HD11 ILE A 110 6.458 -7.832 0.984 1.00 55.24 H new ATOM 0 HD12 ILE A 110 4.711 -7.599 0.735 1.00 55.24 H new ATOM 0 HD13 ILE A 110 5.879 -6.754 -0.309 1.00 55.24 H new ATOM 1697 N HIS A 111 4.059 -1.542 1.710 1.00 51.33 N ATOM 1698 CA HIS A 111 3.134 -0.458 1.407 1.00 65.12 C ATOM 1699 C HIS A 111 3.102 -0.177 -0.086 1.00 74.42 C ATOM 1700 O HIS A 111 4.142 0.038 -0.704 1.00 13.10 O ATOM 1701 CB HIS A 111 3.529 0.834 2.150 1.00 31.10 C ATOM 1702 CG HIS A 111 3.432 0.763 3.647 1.00 24.20 C ATOM 1703 ND1 HIS A 111 2.690 1.651 4.401 1.00 75.24 N ATOM 1704 CD2 HIS A 111 4.015 -0.073 4.532 1.00 32.55 C ATOM 1705 CE1 HIS A 111 2.827 1.360 5.680 1.00 53.14 C ATOM 1706 NE2 HIS A 111 3.624 0.321 5.787 1.00 52.25 N ATOM 0 H HIS A 111 5.042 -1.309 1.570 1.00 51.33 H new ATOM 0 HA HIS A 111 2.145 -0.775 1.740 1.00 65.12 H new ATOM 0 HB2 HIS A 111 4.553 1.092 1.880 1.00 31.10 H new ATOM 0 HB3 HIS A 111 2.893 1.646 1.798 1.00 31.10 H new ATOM 0 HD1 HIS A 111 2.124 2.413 4.027 1.00 75.24 H new ATOM 0 HD2 HIS A 111 4.669 -0.900 4.296 1.00 32.55 H new ATOM 0 HE1 HIS A 111 2.363 1.887 6.501 1.00 53.14 H new ATOM 1715 N ILE A 112 1.917 -0.207 -0.664 1.00 54.14 N ATOM 1716 CA ILE A 112 1.739 0.163 -2.061 1.00 11.33 C ATOM 1717 C ILE A 112 1.161 1.570 -2.117 1.00 23.41 C ATOM 1718 O ILE A 112 0.190 1.872 -1.417 1.00 40.53 O ATOM 1719 CB ILE A 112 0.800 -0.814 -2.814 1.00 52.22 C ATOM 1720 CG1 ILE A 112 1.340 -2.249 -2.729 1.00 24.14 C ATOM 1721 CG2 ILE A 112 0.644 -0.386 -4.273 1.00 50.04 C ATOM 1722 CD1 ILE A 112 0.476 -3.273 -3.441 1.00 1.15 C ATOM 0 H ILE A 112 1.058 -0.484 -0.189 1.00 54.14 H new ATOM 0 HA ILE A 112 2.711 0.118 -2.553 1.00 11.33 H new ATOM 0 HB ILE A 112 -0.181 -0.786 -2.340 1.00 52.22 H new ATOM 0 HG12 ILE A 112 2.343 -2.275 -3.155 1.00 24.14 H new ATOM 0 HG13 ILE A 112 1.431 -2.531 -1.680 1.00 24.14 H new ATOM 0 HG21 ILE A 112 -0.018 -1.082 -4.788 1.00 50.04 H new ATOM 0 HG22 ILE A 112 0.219 0.617 -4.315 1.00 50.04 H new ATOM 0 HG23 ILE A 112 1.620 -0.387 -4.759 1.00 50.04 H new ATOM 0 HD11 ILE A 112 0.923 -4.262 -3.336 1.00 1.15 H new ATOM 0 HD12 ILE A 112 -0.521 -3.277 -3.001 1.00 1.15 H new ATOM 0 HD13 ILE A 112 0.405 -3.017 -4.498 1.00 1.15 H new ATOM 1734 N ILE A 113 1.764 2.428 -2.925 1.00 43.43 N ATOM 1735 CA ILE A 113 1.344 3.823 -3.004 1.00 1.12 C ATOM 1736 C ILE A 113 0.690 4.126 -4.345 1.00 34.34 C ATOM 1737 O ILE A 113 1.371 4.193 -5.368 1.00 12.15 O ATOM 1738 CB ILE A 113 2.549 4.781 -2.831 1.00 25.10 C ATOM 1739 CG1 ILE A 113 3.467 4.297 -1.703 1.00 14.13 C ATOM 1740 CG2 ILE A 113 2.062 6.201 -2.554 1.00 3.42 C ATOM 1741 CD1 ILE A 113 4.725 5.122 -1.540 1.00 73.01 C ATOM 0 H ILE A 113 2.545 2.186 -3.535 1.00 43.43 H new ATOM 0 HA ILE A 113 0.627 3.979 -2.198 1.00 1.12 H new ATOM 0 HB ILE A 113 3.122 4.786 -3.758 1.00 25.10 H new ATOM 0 HG12 ILE A 113 2.912 4.310 -0.765 1.00 14.13 H new ATOM 0 HG13 ILE A 113 3.746 3.261 -1.894 1.00 14.13 H new ATOM 0 HG21 ILE A 113 2.920 6.863 -2.435 1.00 3.42 H new ATOM 0 HG22 ILE A 113 1.451 6.545 -3.388 1.00 3.42 H new ATOM 0 HG23 ILE A 113 1.467 6.210 -1.641 1.00 3.42 H new ATOM 0 HD11 ILE A 113 5.322 4.717 -0.723 1.00 73.01 H new ATOM 0 HD12 ILE A 113 5.304 5.089 -2.463 1.00 73.01 H new ATOM 0 HD13 ILE A 113 4.457 6.155 -1.317 1.00 73.01 H new ATOM 1753 N LEU A 114 -0.614 4.301 -4.344 1.00 10.41 N ATOM 1754 CA LEU A 114 -1.327 4.649 -5.563 1.00 33.51 C ATOM 1755 C LEU A 114 -1.707 6.126 -5.517 1.00 14.23 C ATOM 1756 O LEU A 114 -2.496 6.546 -4.669 1.00 4.32 O ATOM 1757 CB LEU A 114 -2.576 3.760 -5.736 1.00 10.15 C ATOM 1758 CG LEU A 114 -3.141 3.636 -7.168 1.00 71.44 C ATOM 1759 CD1 LEU A 114 -4.164 2.521 -7.238 1.00 11.21 C ATOM 1760 CD2 LEU A 114 -3.769 4.943 -7.635 1.00 21.45 C ATOM 0 H LEU A 114 -1.204 4.209 -3.517 1.00 10.41 H new ATOM 0 HA LEU A 114 -0.680 4.475 -6.423 1.00 33.51 H new ATOM 0 HB2 LEU A 114 -2.335 2.760 -5.377 1.00 10.15 H new ATOM 0 HB3 LEU A 114 -3.364 4.149 -5.091 1.00 10.15 H new ATOM 0 HG LEU A 114 -2.308 3.403 -7.831 1.00 71.44 H new ATOM 0 HD11 LEU A 114 -4.552 2.447 -8.254 1.00 11.21 H new ATOM 0 HD12 LEU A 114 -3.694 1.578 -6.960 1.00 11.21 H new ATOM 0 HD13 LEU A 114 -4.983 2.735 -6.551 1.00 11.21 H new ATOM 0 HD21 LEU A 114 -4.156 4.820 -8.646 1.00 21.45 H new ATOM 0 HD22 LEU A 114 -4.585 5.215 -6.965 1.00 21.45 H new ATOM 0 HD23 LEU A 114 -3.016 5.731 -7.628 1.00 21.45 H new ATOM 1772 N ARG A 115 -1.136 6.903 -6.417 1.00 25.12 N ATOM 1773 CA ARG A 115 -1.372 8.339 -6.463 1.00 22.22 C ATOM 1774 C ARG A 115 -2.713 8.635 -7.144 1.00 31.50 C ATOM 1775 O ARG A 115 -2.851 8.475 -8.362 1.00 65.33 O ATOM 1776 CB ARG A 115 -0.230 9.012 -7.215 1.00 71.51 C ATOM 1777 CG ARG A 115 -0.191 10.516 -7.086 1.00 24.33 C ATOM 1778 CD ARG A 115 0.101 10.950 -5.660 1.00 43.10 C ATOM 1779 NE ARG A 115 0.384 12.375 -5.596 1.00 31.45 N ATOM 1780 CZ ARG A 115 -0.541 13.316 -5.563 1.00 70.34 C ATOM 1781 NH1 ARG A 115 -1.811 12.984 -5.410 1.00 45.01 N ATOM 1782 NH2 ARG A 115 -0.194 14.595 -5.647 1.00 4.02 N ATOM 0 H ARG A 115 -0.498 6.562 -7.135 1.00 25.12 H new ATOM 0 HA ARG A 115 -1.413 8.733 -5.448 1.00 22.22 H new ATOM 0 HB2 ARG A 115 0.715 8.605 -6.854 1.00 71.51 H new ATOM 0 HB3 ARG A 115 -0.306 8.753 -8.271 1.00 71.51 H new ATOM 0 HG2 ARG A 115 0.572 10.919 -7.752 1.00 24.33 H new ATOM 0 HG3 ARG A 115 -1.146 10.934 -7.405 1.00 24.33 H new ATOM 0 HD2 ARG A 115 -0.752 10.716 -5.023 1.00 43.10 H new ATOM 0 HD3 ARG A 115 0.951 10.389 -5.272 1.00 43.10 H new ATOM 0 HE ARG A 115 1.361 12.666 -5.575 1.00 31.45 H new ATOM 0 HH11 ARG A 115 -2.074 12.003 -5.318 1.00 45.01 H new ATOM 0 HH12 ARG A 115 -2.528 13.709 -5.384 1.00 45.01 H new ATOM 0 HH21 ARG A 115 0.789 14.852 -5.737 1.00 4.02 H new ATOM 0 HH22 ARG A 115 -0.910 15.321 -5.621 1.00 4.02 H new ATOM 1796 N THR A 116 -3.692 9.063 -6.358 1.00 13.00 N ATOM 1797 CA THR A 116 -5.033 9.298 -6.868 1.00 13.40 C ATOM 1798 C THR A 116 -5.294 10.758 -7.264 1.00 41.43 C ATOM 1799 O THR A 116 -5.518 11.052 -8.438 1.00 1.22 O ATOM 1800 CB THR A 116 -6.091 8.840 -5.847 1.00 75.53 C ATOM 1801 OG1 THR A 116 -5.685 9.230 -4.524 1.00 24.11 O ATOM 1802 CG2 THR A 116 -6.275 7.332 -5.900 1.00 74.34 C ATOM 0 H THR A 116 -3.580 9.254 -5.362 1.00 13.00 H new ATOM 0 HA THR A 116 -5.112 8.705 -7.779 1.00 13.40 H new ATOM 0 HB THR A 116 -7.041 9.314 -6.096 1.00 75.53 H new ATOM 0 HG1 THR A 116 -6.360 8.939 -3.876 1.00 24.11 H new ATOM 0 HG21 THR A 116 -7.027 7.031 -5.170 1.00 74.34 H new ATOM 0 HG22 THR A 116 -6.601 7.040 -6.898 1.00 74.34 H new ATOM 0 HG23 THR A 116 -5.329 6.842 -5.669 1.00 74.34 H new ATOM 1810 N GLU A 117 -5.254 11.664 -6.297 1.00 14.31 N ATOM 1811 CA GLU A 117 -5.597 13.062 -6.553 1.00 25.15 C ATOM 1812 C GLU A 117 -4.395 13.859 -7.024 1.00 15.11 C ATOM 1813 O GLU A 117 -3.727 14.479 -6.175 1.00 0.00 O ATOM 1814 CB GLU A 117 -6.192 13.706 -5.301 1.00 41.13 C ATOM 1815 CG GLU A 117 -7.494 13.077 -4.836 1.00 74.42 C ATOM 1816 CD GLU A 117 -8.624 13.260 -5.826 1.00 22.34 C ATOM 1817 OE1 GLU A 117 -9.165 14.386 -5.914 1.00 24.34 O ATOM 1818 OE2 GLU A 117 -8.990 12.288 -6.507 1.00 72.12 O ATOM 1819 OXT GLU A 117 -4.121 13.866 -8.241 1.00 0.00 O ATOM 0 H GLU A 117 -4.990 11.461 -5.333 1.00 14.31 H new ATOM 0 HA GLU A 117 -6.340 13.073 -7.350 1.00 25.15 H new ATOM 0 HB2 GLU A 117 -5.463 13.645 -4.493 1.00 41.13 H new ATOM 0 HB3 GLU A 117 -6.362 14.765 -5.497 1.00 41.13 H new ATOM 0 HG2 GLU A 117 -7.336 12.012 -4.665 1.00 74.42 H new ATOM 0 HG3 GLU A 117 -7.781 13.514 -3.880 1.00 74.42 H new