USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 861 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 21 SER OG : rot 122:sc= 0.62 USER MOD Set 1.2: A 108 SER OG : rot 16:sc= 0.0253 USER MOD Set 2.1: A 106 THR OG1 : rot 141:sc= 0.86 USER MOD Set 2.2: A 111 HIS :FLIP no HD1:sc= -2.86! F(o=-5.4,f=-2!) USER MOD Set 3.1: A 17 LYS NZ :NH3+ 175:sc= 1.19 (180deg=0) USER MOD Set 3.2: A 26 SER OG : rot 72:sc= -0.425! USER MOD Set 4.1: A 13 HIS :FLIP no HE2:sc= -0.394 F(o=-3.3!,f=-0.54) USER MOD Set 4.2: A 67 CYS SG : rot -112:sc= -0.15 USER MOD Set 4.3: A 69 SER OG : rot 180:sc= 0.00158 USER MOD Set 5.1: A 11 CYS SG : rot 85:sc= -1.51 USER MOD Set 5.2: A 92 SER OG : rot -116:sc= 1.14 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.484 K(o=0.48,f=-4.7!) USER MOD Single : A 19 SER OG : rot 63:sc= 0.944 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 25 SER OG : rot 67:sc= 0.207 USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 171:sc=-0.00437 (180deg=-0.111) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00239 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0547 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.282 K(o=-0.28,f=-0.86) USER MOD Single : A 46 TYR OH : rot -71:sc= 1.02 USER MOD Single : A 48 GLN : amide:sc= -0.516 K(o=-0.52,f=-1.3) USER MOD Single : A 49 LYS NZ :NH3+ 131:sc= 1.2 (180deg=0.833) USER MOD Single : A 51 LYS NZ :NH3+ 159:sc= -1.9! (180deg=-2.81!) USER MOD Single : A 52 SER OG : rot -93:sc= 0.422 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0165 USER MOD Single : A 62 SER OG : rot 67:sc= 1.3 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0227 F(o=-1.3!,f=-0.023) USER MOD Single : A 65 SER OG : rot 180:sc= 0.414 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= -0.0795 (180deg=-0.453) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0797 X(o=-0.08,f=-0.22) USER MOD Single : A 84 MET CE :methyl 172:sc= -0.309 (180deg=-0.491) USER MOD Single : A 85 GLN : amide:sc= -0.574 K(o=-0.57,f=-2.4!) USER MOD Single : A 86 LYS NZ :NH3+ 170:sc= -0.0303 (180deg=-0.18) USER MOD Single : A 97 THR OG1 : rot -38:sc= 1.28 USER MOD Single : A 100 MET CE :methyl 157:sc= -0.286 (180deg=-2.03) USER MOD Single : A 101 SER OG : rot -173:sc= -1.51! USER MOD Single : A 116 THR OG1 : rot -156:sc= -1.07 USER MOD ----------------------------------------------------------------- ATOM 95 N ARG A 8 -3.195 -18.418 1.744 1.00 62.23 N ATOM 96 CA ARG A 8 -2.337 -17.338 1.316 1.00 53.22 C ATOM 97 C ARG A 8 -3.059 -16.411 0.358 1.00 11.43 C ATOM 98 O ARG A 8 -3.723 -16.859 -0.583 1.00 74.15 O ATOM 99 CB ARG A 8 -1.078 -17.892 0.653 1.00 12.14 C ATOM 100 CG ARG A 8 -0.190 -18.685 1.588 1.00 75.24 C ATOM 101 CD ARG A 8 0.957 -19.336 0.843 1.00 41.01 C ATOM 102 NE ARG A 8 1.864 -20.027 1.752 1.00 73.15 N ATOM 103 CZ ARG A 8 2.552 -21.126 1.448 1.00 54.32 C ATOM 104 NH1 ARG A 8 2.409 -21.701 0.255 1.00 31.45 N ATOM 105 NH2 ARG A 8 3.375 -21.660 2.346 1.00 5.42 N ATOM 0 HA ARG A 8 -2.055 -16.765 2.199 1.00 53.22 H new ATOM 0 HB2 ARG A 8 -1.369 -18.529 -0.182 1.00 12.14 H new ATOM 0 HB3 ARG A 8 -0.504 -17.064 0.238 1.00 12.14 H new ATOM 0 HG2 ARG A 8 0.204 -18.027 2.363 1.00 75.24 H new ATOM 0 HG3 ARG A 8 -0.781 -19.451 2.090 1.00 75.24 H new ATOM 0 HD2 ARG A 8 0.563 -20.044 0.114 1.00 41.01 H new ATOM 0 HD3 ARG A 8 1.507 -18.577 0.286 1.00 41.01 H new ATOM 0 HE ARG A 8 1.980 -19.641 2.689 1.00 73.15 H new ATOM 0 HH11 ARG A 8 1.770 -21.300 -0.431 1.00 31.45 H new ATOM 0 HH12 ARG A 8 2.939 -22.543 0.028 1.00 31.45 H new ATOM 0 HH21 ARG A 8 3.478 -21.228 3.264 1.00 5.42 H new ATOM 0 HH22 ARG A 8 3.903 -22.502 2.116 1.00 5.42 H new ATOM 119 N VAL A 9 -2.933 -15.126 0.603 1.00 54.31 N ATOM 120 CA VAL A 9 -3.518 -14.110 -0.252 1.00 24.43 C ATOM 121 C VAL A 9 -2.415 -13.198 -0.753 1.00 52.53 C ATOM 122 O VAL A 9 -1.307 -13.219 -0.216 1.00 65.14 O ATOM 123 CB VAL A 9 -4.586 -13.265 0.492 1.00 33.41 C ATOM 124 CG1 VAL A 9 -5.720 -14.147 0.991 1.00 63.45 C ATOM 125 CG2 VAL A 9 -3.962 -12.488 1.647 1.00 12.54 C ATOM 0 H VAL A 9 -2.421 -14.752 1.402 1.00 54.31 H new ATOM 0 HA VAL A 9 -4.015 -14.611 -1.082 1.00 24.43 H new ATOM 0 HB VAL A 9 -4.997 -12.546 -0.216 1.00 33.41 H new ATOM 0 HG11 VAL A 9 -6.457 -13.534 1.509 1.00 63.45 H new ATOM 0 HG12 VAL A 9 -6.193 -14.645 0.145 1.00 63.45 H new ATOM 0 HG13 VAL A 9 -5.324 -14.896 1.677 1.00 63.45 H new ATOM 0 HG21 VAL A 9 -4.732 -11.904 2.151 1.00 12.54 H new ATOM 0 HG22 VAL A 9 -3.514 -13.185 2.355 1.00 12.54 H new ATOM 0 HG23 VAL A 9 -3.193 -11.818 1.262 1.00 12.54 H new ATOM 135 N ARG A 10 -2.694 -12.410 -1.765 1.00 2.11 N ATOM 136 CA ARG A 10 -1.684 -11.514 -2.290 1.00 35.23 C ATOM 137 C ARG A 10 -2.230 -10.108 -2.400 1.00 52.12 C ATOM 138 O ARG A 10 -3.399 -9.906 -2.751 1.00 24.15 O ATOM 139 CB ARG A 10 -1.158 -12.012 -3.643 1.00 65.13 C ATOM 140 CG ARG A 10 -1.706 -11.280 -4.853 1.00 25.33 C ATOM 141 CD ARG A 10 -1.251 -11.943 -6.134 1.00 42.44 C ATOM 142 NE ARG A 10 0.202 -11.950 -6.253 1.00 64.11 N ATOM 143 CZ ARG A 10 0.937 -13.039 -6.459 1.00 2.53 C ATOM 144 NH1 ARG A 10 0.369 -14.245 -6.452 1.00 24.54 N ATOM 145 NH2 ARG A 10 2.245 -12.924 -6.631 1.00 31.44 N ATOM 0 H ARG A 10 -3.597 -12.369 -2.237 1.00 2.11 H new ATOM 0 HA ARG A 10 -0.844 -11.498 -1.595 1.00 35.23 H new ATOM 0 HB2 ARG A 10 -0.071 -11.927 -3.647 1.00 65.13 H new ATOM 0 HB3 ARG A 10 -1.395 -13.072 -3.740 1.00 65.13 H new ATOM 0 HG2 ARG A 10 -2.795 -11.266 -4.813 1.00 25.33 H new ATOM 0 HG3 ARG A 10 -1.373 -10.242 -4.837 1.00 25.33 H new ATOM 0 HD2 ARG A 10 -1.623 -12.967 -6.166 1.00 42.44 H new ATOM 0 HD3 ARG A 10 -1.683 -11.420 -6.987 1.00 42.44 H new ATOM 0 HE ARG A 10 0.689 -11.057 -6.173 1.00 64.11 H new ATOM 0 HH11 ARG A 10 -0.634 -14.336 -6.288 1.00 24.54 H new ATOM 0 HH12 ARG A 10 0.937 -15.077 -6.611 1.00 24.54 H new ATOM 0 HH21 ARG A 10 2.684 -12.004 -6.605 1.00 31.44 H new ATOM 0 HH22 ARG A 10 2.814 -13.756 -6.789 1.00 31.44 H new ATOM 159 N CYS A 11 -1.397 -9.142 -2.096 1.00 32.24 N ATOM 160 CA CYS A 11 -1.808 -7.765 -2.134 1.00 21.55 C ATOM 161 C CYS A 11 -0.775 -6.907 -2.831 1.00 1.53 C ATOM 162 O CYS A 11 0.432 -7.101 -2.657 1.00 32.20 O ATOM 163 CB CYS A 11 -2.013 -7.235 -0.715 1.00 61.10 C ATOM 164 SG CYS A 11 -3.106 -8.232 0.317 1.00 52.04 S ATOM 0 H CYS A 11 -0.426 -9.288 -1.819 1.00 32.24 H new ATOM 0 HA CYS A 11 -2.745 -7.716 -2.689 1.00 21.55 H new ATOM 0 HB2 CYS A 11 -1.042 -7.162 -0.226 1.00 61.10 H new ATOM 0 HB3 CYS A 11 -2.416 -6.224 -0.775 1.00 61.10 H new ATOM 0 HG CYS A 11 -2.424 -9.189 0.872 1.00 52.04 H new ATOM 170 N SER A 12 -1.246 -5.982 -3.623 1.00 44.11 N ATOM 171 CA SER A 12 -0.397 -5.000 -4.228 1.00 2.21 C ATOM 172 C SER A 12 -0.408 -3.781 -3.315 1.00 70.43 C ATOM 173 O SER A 12 -1.477 -3.259 -2.983 1.00 22.04 O ATOM 174 CB SER A 12 -0.912 -4.646 -5.624 1.00 25.32 C ATOM 175 OG SER A 12 -1.016 -5.809 -6.438 1.00 52.54 O ATOM 0 H SER A 12 -2.233 -5.891 -3.866 1.00 44.11 H new ATOM 0 HA SER A 12 0.619 -5.376 -4.346 1.00 2.21 H new ATOM 0 HB2 SER A 12 -1.887 -4.164 -5.545 1.00 25.32 H new ATOM 0 HB3 SER A 12 -0.239 -3.928 -6.093 1.00 25.32 H new ATOM 0 HG SER A 12 -1.349 -5.559 -7.325 1.00 52.54 H new ATOM 181 N HIS A 13 0.762 -3.344 -2.883 1.00 71.42 N ATOM 182 CA HIS A 13 0.833 -2.278 -1.896 1.00 32.14 C ATOM 183 C HIS A 13 1.629 -1.065 -2.365 1.00 71.42 C ATOM 184 O HIS A 13 2.739 -1.185 -2.875 1.00 51.14 O ATOM 185 CB HIS A 13 1.384 -2.807 -0.543 1.00 53.12 C ATOM 186 CG HIS A 13 2.814 -3.315 -0.564 1.00 21.13 C ATOM 187 ND1 HIS A 13 3.589 -3.775 -1.577 1.00 32.21 N flip ATOM 188 CD2 HIS A 13 3.603 -3.388 0.569 1.00 41.42 C flip ATOM 189 CE1 HIS A 13 4.803 -4.106 -1.044 1.00 2.51 C flip ATOM 190 NE2 HIS A 13 4.789 -3.863 0.246 1.00 43.51 N flip ATOM 0 H HIS A 13 1.664 -3.704 -3.194 1.00 71.42 H new ATOM 0 HA HIS A 13 -0.191 -1.934 -1.753 1.00 32.14 H new ATOM 0 HB2 HIS A 13 1.314 -2.007 0.194 1.00 53.12 H new ATOM 0 HB3 HIS A 13 0.737 -3.614 -0.200 1.00 53.12 H new ATOM 0 HD1 HIS A 13 3.316 -3.859 -2.556 1.00 32.21 H new ATOM 0 HD2 HIS A 13 3.295 -3.101 1.564 1.00 41.42 H new ATOM 0 HE1 HIS A 13 5.641 -4.504 -1.596 1.00 2.51 H new ATOM 199 N LEU A 14 1.039 0.094 -2.178 1.00 61.42 N ATOM 200 CA LEU A 14 1.684 1.362 -2.474 1.00 14.02 C ATOM 201 C LEU A 14 1.885 2.096 -1.150 1.00 52.30 C ATOM 202 O LEU A 14 0.991 2.086 -0.303 1.00 5.33 O ATOM 203 CB LEU A 14 0.794 2.180 -3.440 1.00 62.20 C ATOM 204 CG LEU A 14 1.424 3.422 -4.100 1.00 34.03 C ATOM 205 CD1 LEU A 14 0.615 3.831 -5.318 1.00 54.22 C ATOM 206 CD2 LEU A 14 1.496 4.584 -3.125 1.00 34.04 C ATOM 0 H LEU A 14 0.091 0.188 -1.814 1.00 61.42 H new ATOM 0 HA LEU A 14 2.649 1.213 -2.959 1.00 14.02 H new ATOM 0 HB2 LEU A 14 0.454 1.513 -4.232 1.00 62.20 H new ATOM 0 HB3 LEU A 14 -0.092 2.502 -2.892 1.00 62.20 H new ATOM 0 HG LEU A 14 2.438 3.163 -4.404 1.00 34.03 H new ATOM 0 HD11 LEU A 14 1.068 4.709 -5.777 1.00 54.22 H new ATOM 0 HD12 LEU A 14 0.601 3.012 -6.037 1.00 54.22 H new ATOM 0 HD13 LEU A 14 -0.405 4.066 -5.015 1.00 54.22 H new ATOM 0 HD21 LEU A 14 1.945 5.446 -3.619 1.00 34.04 H new ATOM 0 HD22 LEU A 14 0.491 4.840 -2.790 1.00 34.04 H new ATOM 0 HD23 LEU A 14 2.104 4.301 -2.266 1.00 34.04 H new ATOM 218 N LEU A 15 3.053 2.690 -0.948 1.00 41.14 N ATOM 219 CA LEU A 15 3.332 3.380 0.308 1.00 0.45 C ATOM 220 C LEU A 15 3.718 4.829 0.099 1.00 2.35 C ATOM 221 O LEU A 15 4.677 5.130 -0.608 1.00 30.41 O ATOM 222 CB LEU A 15 4.445 2.670 1.094 1.00 0.31 C ATOM 223 CG LEU A 15 4.949 3.408 2.353 1.00 74.13 C ATOM 224 CD1 LEU A 15 3.833 3.601 3.360 1.00 32.23 C ATOM 225 CD2 LEU A 15 6.115 2.668 2.988 1.00 51.34 C ATOM 0 H LEU A 15 3.815 2.710 -1.626 1.00 41.14 H new ATOM 0 HA LEU A 15 2.405 3.354 0.881 1.00 0.45 H new ATOM 0 HB2 LEU A 15 4.083 1.686 1.392 1.00 0.31 H new ATOM 0 HB3 LEU A 15 5.291 2.510 0.426 1.00 0.31 H new ATOM 0 HG LEU A 15 5.297 4.392 2.039 1.00 74.13 H new ATOM 0 HD11 LEU A 15 4.219 4.123 4.235 1.00 32.23 H new ATOM 0 HD12 LEU A 15 3.034 4.190 2.909 1.00 32.23 H new ATOM 0 HD13 LEU A 15 3.442 2.629 3.661 1.00 32.23 H new ATOM 0 HD21 LEU A 15 6.451 3.209 3.873 1.00 51.34 H new ATOM 0 HD22 LEU A 15 5.797 1.666 3.275 1.00 51.34 H new ATOM 0 HD23 LEU A 15 6.934 2.598 2.273 1.00 51.34 H new ATOM 237 N VAL A 16 2.967 5.711 0.725 1.00 61.21 N ATOM 238 CA VAL A 16 3.281 7.121 0.733 1.00 45.24 C ATOM 239 C VAL A 16 3.574 7.541 2.167 1.00 53.41 C ATOM 240 O VAL A 16 2.671 7.598 3.015 1.00 15.01 O ATOM 241 CB VAL A 16 2.133 7.986 0.155 1.00 60.35 C ATOM 242 CG1 VAL A 16 2.479 9.464 0.238 1.00 53.21 C ATOM 243 CG2 VAL A 16 1.846 7.598 -1.286 1.00 40.10 C ATOM 0 H VAL A 16 2.122 5.469 1.242 1.00 61.21 H new ATOM 0 HA VAL A 16 4.150 7.282 0.094 1.00 45.24 H new ATOM 0 HB VAL A 16 1.239 7.804 0.752 1.00 60.35 H new ATOM 0 HG11 VAL A 16 1.659 10.053 -0.173 1.00 53.21 H new ATOM 0 HG12 VAL A 16 2.639 9.742 1.280 1.00 53.21 H new ATOM 0 HG13 VAL A 16 3.387 9.658 -0.333 1.00 53.21 H new ATOM 0 HG21 VAL A 16 1.037 8.216 -1.675 1.00 40.10 H new ATOM 0 HG22 VAL A 16 2.741 7.750 -1.889 1.00 40.10 H new ATOM 0 HG23 VAL A 16 1.554 6.549 -1.329 1.00 40.10 H new ATOM 253 N LYS A 17 4.835 7.780 2.447 1.00 33.31 N ATOM 254 CA LYS A 17 5.265 8.145 3.782 1.00 54.54 C ATOM 255 C LYS A 17 5.055 9.626 4.055 1.00 54.30 C ATOM 256 O LYS A 17 4.519 10.367 3.228 1.00 15.24 O ATOM 257 CB LYS A 17 6.738 7.815 3.982 1.00 22.44 C ATOM 258 CG LYS A 17 7.103 6.365 3.768 1.00 24.45 C ATOM 259 CD LYS A 17 8.601 6.183 3.884 1.00 24.11 C ATOM 260 CE LYS A 17 9.030 4.777 3.537 1.00 51.24 C ATOM 261 NZ LYS A 17 10.500 4.657 3.528 1.00 1.44 N ATOM 0 H LYS A 17 5.589 7.728 1.762 1.00 33.31 H new ATOM 0 HA LYS A 17 4.657 7.568 4.479 1.00 54.54 H new ATOM 0 HB2 LYS A 17 7.328 8.427 3.299 1.00 22.44 H new ATOM 0 HB3 LYS A 17 7.024 8.100 4.994 1.00 22.44 H new ATOM 0 HG2 LYS A 17 6.595 5.742 4.504 1.00 24.45 H new ATOM 0 HG3 LYS A 17 6.764 6.038 2.785 1.00 24.45 H new ATOM 0 HD2 LYS A 17 9.104 6.889 3.223 1.00 24.11 H new ATOM 0 HD3 LYS A 17 8.917 6.418 4.900 1.00 24.11 H new ATOM 0 HE2 LYS A 17 8.609 4.077 4.259 1.00 51.24 H new ATOM 0 HE3 LYS A 17 8.634 4.504 2.559 1.00 51.24 H new ATOM 0 HZ1 LYS A 17 10.766 3.664 3.371 1.00 1.44 H new ATOM 0 HZ2 LYS A 17 10.892 5.246 2.765 1.00 1.44 H new ATOM 0 HZ3 LYS A 17 10.880 4.977 4.442 1.00 1.44 H new ATOM 275 N HIS A 18 5.510 10.041 5.216 1.00 2.25 N ATOM 276 CA HIS A 18 5.410 11.412 5.664 1.00 41.23 C ATOM 277 C HIS A 18 6.722 11.826 6.310 1.00 73.42 C ATOM 278 O HIS A 18 7.445 10.977 6.821 1.00 25.03 O ATOM 279 CB HIS A 18 4.220 11.593 6.641 1.00 1.24 C ATOM 280 CG HIS A 18 3.914 10.387 7.506 1.00 11.14 C ATOM 281 ND1 HIS A 18 4.445 10.190 8.761 1.00 34.23 N ATOM 282 CD2 HIS A 18 3.112 9.315 7.275 1.00 41.14 C ATOM 283 CE1 HIS A 18 3.989 9.054 9.259 1.00 54.43 C ATOM 284 NE2 HIS A 18 3.179 8.507 8.380 1.00 20.21 N ATOM 0 H HIS A 18 5.968 9.424 5.887 1.00 2.25 H new ATOM 0 HA HIS A 18 5.220 12.056 4.805 1.00 41.23 H new ATOM 0 HB2 HIS A 18 4.428 12.444 7.290 1.00 1.24 H new ATOM 0 HB3 HIS A 18 3.330 11.843 6.064 1.00 1.24 H new ATOM 0 HD1 HIS A 18 5.091 10.823 9.233 1.00 34.23 H new ATOM 0 HD2 HIS A 18 2.529 9.133 6.384 1.00 41.14 H new ATOM 0 HE1 HIS A 18 4.240 8.644 10.226 1.00 54.43 H new ATOM 293 N SER A 19 7.031 13.123 6.260 1.00 54.24 N ATOM 294 CA SER A 19 8.287 13.662 6.793 1.00 60.21 C ATOM 295 C SER A 19 8.542 13.181 8.222 1.00 23.33 C ATOM 296 O SER A 19 9.639 12.713 8.543 1.00 43.42 O ATOM 297 CB SER A 19 8.278 15.197 6.737 1.00 51.32 C ATOM 298 OG SER A 19 9.591 15.723 6.870 1.00 42.13 O ATOM 0 H SER A 19 6.420 13.829 5.850 1.00 54.24 H new ATOM 0 HA SER A 19 9.099 13.291 6.168 1.00 60.21 H new ATOM 0 HB2 SER A 19 7.845 15.527 5.793 1.00 51.32 H new ATOM 0 HB3 SER A 19 7.644 15.589 7.532 1.00 51.32 H new ATOM 0 HG SER A 19 10.141 15.425 6.115 1.00 42.13 H new ATOM 304 N GLN A 20 7.535 13.290 9.075 1.00 54.01 N ATOM 305 CA GLN A 20 7.656 12.813 10.437 1.00 71.22 C ATOM 306 C GLN A 20 7.355 11.324 10.467 1.00 0.13 C ATOM 307 O GLN A 20 6.212 10.917 10.669 1.00 31.34 O ATOM 308 CB GLN A 20 6.700 13.562 11.363 1.00 63.51 C ATOM 309 CG GLN A 20 6.826 15.075 11.290 1.00 1.43 C ATOM 310 CD GLN A 20 5.764 15.780 12.107 1.00 35.42 C ATOM 311 OE1 GLN A 20 5.314 15.272 13.136 1.00 33.12 O ATOM 312 NE2 GLN A 20 5.338 16.938 11.646 1.00 5.52 N ATOM 0 H GLN A 20 6.631 13.703 8.847 1.00 54.01 H new ATOM 0 HA GLN A 20 8.672 12.992 10.789 1.00 71.22 H new ATOM 0 HB2 GLN A 20 5.676 13.281 11.116 1.00 63.51 H new ATOM 0 HB3 GLN A 20 6.880 13.242 12.389 1.00 63.51 H new ATOM 0 HG2 GLN A 20 7.812 15.373 11.646 1.00 1.43 H new ATOM 0 HG3 GLN A 20 6.753 15.394 10.250 1.00 1.43 H new ATOM 0 HE21 GLN A 20 5.737 17.324 10.790 1.00 5.52 H new ATOM 0 HE22 GLN A 20 4.609 17.449 12.145 1.00 5.52 H new ATOM 321 N SER A 21 8.365 10.522 10.223 1.00 3.41 N ATOM 322 CA SER A 21 8.203 9.086 10.170 1.00 31.44 C ATOM 323 C SER A 21 9.385 8.399 10.826 1.00 14.44 C ATOM 324 O SER A 21 10.418 9.028 11.079 1.00 1.50 O ATOM 325 CB SER A 21 8.072 8.629 8.705 1.00 75.12 C ATOM 326 OG SER A 21 7.854 7.228 8.606 1.00 63.54 O ATOM 0 H SER A 21 9.318 10.844 10.056 1.00 3.41 H new ATOM 0 HA SER A 21 7.297 8.813 10.711 1.00 31.44 H new ATOM 0 HB2 SER A 21 7.246 9.160 8.231 1.00 75.12 H new ATOM 0 HB3 SER A 21 8.977 8.895 8.159 1.00 75.12 H new ATOM 0 HG SER A 21 7.015 7.060 8.129 1.00 63.54 H new ATOM 332 N ARG A 22 9.232 7.108 11.097 1.00 12.10 N ATOM 333 CA ARG A 22 10.293 6.317 11.695 1.00 42.15 C ATOM 334 C ARG A 22 11.509 6.267 10.774 1.00 72.24 C ATOM 335 O ARG A 22 12.642 6.153 11.232 1.00 21.11 O ATOM 336 CB ARG A 22 9.796 4.900 12.015 1.00 62.13 C ATOM 337 CG ARG A 22 9.243 4.144 10.815 1.00 70.24 C ATOM 338 CD ARG A 22 8.752 2.762 11.209 1.00 54.14 C ATOM 339 NE ARG A 22 7.651 2.820 12.177 1.00 64.12 N ATOM 340 CZ ARG A 22 7.244 1.787 12.919 1.00 43.43 C ATOM 341 NH1 ARG A 22 7.853 0.611 12.818 1.00 74.12 N ATOM 342 NH2 ARG A 22 6.232 1.934 13.760 1.00 72.05 N ATOM 0 H ARG A 22 8.376 6.587 10.909 1.00 12.10 H new ATOM 0 HA ARG A 22 10.591 6.793 12.629 1.00 42.15 H new ATOM 0 HB2 ARG A 22 10.619 4.327 12.443 1.00 62.13 H new ATOM 0 HB3 ARG A 22 9.021 4.963 12.778 1.00 62.13 H new ATOM 0 HG2 ARG A 22 8.424 4.710 10.372 1.00 70.24 H new ATOM 0 HG3 ARG A 22 10.016 4.053 10.052 1.00 70.24 H new ATOM 0 HD2 ARG A 22 8.422 2.228 10.318 1.00 54.14 H new ATOM 0 HD3 ARG A 22 9.578 2.192 11.635 1.00 54.14 H new ATOM 0 HE ARG A 22 7.164 3.709 12.291 1.00 64.12 H new ATOM 0 HH11 ARG A 22 8.634 0.495 12.172 1.00 74.12 H new ATOM 0 HH12 ARG A 22 7.540 -0.176 13.386 1.00 74.12 H new ATOM 0 HH21 ARG A 22 5.763 2.836 13.841 1.00 72.05 H new ATOM 0 HH22 ARG A 22 5.921 1.145 14.327 1.00 72.05 H new ATOM 356 N ARG A 23 11.263 6.362 9.475 1.00 31.11 N ATOM 357 CA ARG A 23 12.328 6.371 8.493 1.00 32.05 C ATOM 358 C ARG A 23 11.891 7.119 7.235 1.00 12.42 C ATOM 359 O ARG A 23 11.290 6.537 6.329 1.00 32.41 O ATOM 360 CB ARG A 23 12.774 4.942 8.149 1.00 2.05 C ATOM 361 CG ARG A 23 13.881 4.873 7.104 1.00 41.53 C ATOM 362 CD ARG A 23 14.348 3.445 6.874 1.00 74.12 C ATOM 363 NE ARG A 23 13.267 2.576 6.407 1.00 72.03 N ATOM 364 CZ ARG A 23 13.387 1.257 6.222 1.00 52.45 C ATOM 365 NH1 ARG A 23 14.546 0.649 6.469 1.00 13.23 N ATOM 366 NH2 ARG A 23 12.344 0.549 5.795 1.00 32.03 N ATOM 0 H ARG A 23 10.326 6.434 9.078 1.00 31.11 H new ATOM 0 HA ARG A 23 13.182 6.893 8.925 1.00 32.05 H new ATOM 0 HB2 ARG A 23 13.117 4.450 9.059 1.00 2.05 H new ATOM 0 HB3 ARG A 23 11.912 4.380 7.788 1.00 2.05 H new ATOM 0 HG2 ARG A 23 13.522 5.294 6.165 1.00 41.53 H new ATOM 0 HG3 ARG A 23 14.724 5.484 7.426 1.00 41.53 H new ATOM 0 HD2 ARG A 23 15.155 3.443 6.142 1.00 74.12 H new ATOM 0 HD3 ARG A 23 14.758 3.045 7.802 1.00 74.12 H new ATOM 0 HE ARG A 23 12.363 3.005 6.210 1.00 72.03 H new ATOM 0 HH11 ARG A 23 15.345 1.190 6.800 1.00 13.23 H new ATOM 0 HH12 ARG A 23 14.635 -0.357 6.327 1.00 13.23 H new ATOM 0 HH21 ARG A 23 11.455 1.013 5.609 1.00 32.03 H new ATOM 0 HH22 ARG A 23 12.434 -0.457 5.653 1.00 32.03 H new ATOM 380 N PRO A 24 12.165 8.434 7.183 1.00 71.03 N ATOM 381 CA PRO A 24 11.832 9.276 6.031 1.00 31.20 C ATOM 382 C PRO A 24 12.887 9.177 4.922 1.00 12.25 C ATOM 383 O PRO A 24 13.048 10.093 4.115 1.00 74.41 O ATOM 384 CB PRO A 24 11.817 10.679 6.630 1.00 35.22 C ATOM 385 CG PRO A 24 12.829 10.627 7.723 1.00 51.00 C ATOM 386 CD PRO A 24 12.802 9.216 8.265 1.00 45.43 C ATOM 0 HA PRO A 24 10.894 8.985 5.559 1.00 31.20 H new ATOM 0 HB2 PRO A 24 12.075 11.432 5.885 1.00 35.22 H new ATOM 0 HB3 PRO A 24 10.830 10.936 7.014 1.00 35.22 H new ATOM 0 HG2 PRO A 24 13.820 10.879 7.346 1.00 51.00 H new ATOM 0 HG3 PRO A 24 12.592 11.348 8.506 1.00 51.00 H new ATOM 0 HD2 PRO A 24 13.806 8.852 8.484 1.00 45.43 H new ATOM 0 HD3 PRO A 24 12.232 9.154 9.192 1.00 45.43 H new ATOM 394 N SER A 25 13.594 8.066 4.898 1.00 44.21 N ATOM 395 CA SER A 25 14.596 7.811 3.890 1.00 3.13 C ATOM 396 C SER A 25 14.164 6.611 3.060 1.00 14.41 C ATOM 397 O SER A 25 13.943 5.522 3.601 1.00 10.33 O ATOM 398 CB SER A 25 15.955 7.548 4.548 1.00 24.34 C ATOM 399 OG SER A 25 16.998 7.534 3.588 1.00 53.13 O ATOM 0 H SER A 25 13.488 7.314 5.579 1.00 44.21 H new ATOM 0 HA SER A 25 14.697 8.682 3.243 1.00 3.13 H new ATOM 0 HB2 SER A 25 16.155 8.317 5.294 1.00 24.34 H new ATOM 0 HB3 SER A 25 15.928 6.593 5.073 1.00 24.34 H new ATOM 0 HG SER A 25 17.105 8.431 3.208 1.00 53.13 H new ATOM 405 N SER A 26 14.031 6.806 1.767 1.00 31.34 N ATOM 406 CA SER A 26 13.564 5.755 0.887 1.00 73.43 C ATOM 407 C SER A 26 14.484 5.598 -0.324 1.00 44.01 C ATOM 408 O SER A 26 15.470 6.329 -0.463 1.00 61.01 O ATOM 409 CB SER A 26 12.141 6.073 0.446 1.00 74.52 C ATOM 410 OG SER A 26 11.302 6.283 1.578 1.00 13.01 O ATOM 0 H SER A 26 14.241 7.687 1.298 1.00 31.34 H new ATOM 0 HA SER A 26 13.575 4.808 1.427 1.00 73.43 H new ATOM 0 HB2 SER A 26 12.140 6.962 -0.185 1.00 74.52 H new ATOM 0 HB3 SER A 26 11.749 5.254 -0.157 1.00 74.52 H new ATOM 0 HG SER A 26 11.528 7.139 1.998 1.00 13.01 H new ATOM 415 N TRP A 27 14.163 4.641 -1.198 1.00 41.22 N ATOM 416 CA TRP A 27 14.976 4.382 -2.385 1.00 35.23 C ATOM 417 C TRP A 27 14.953 5.561 -3.357 1.00 32.21 C ATOM 418 O TRP A 27 15.925 5.802 -4.071 1.00 54.31 O ATOM 419 CB TRP A 27 14.548 3.076 -3.093 1.00 34.14 C ATOM 420 CG TRP A 27 13.152 3.092 -3.651 1.00 42.41 C ATOM 421 CD1 TRP A 27 11.989 2.986 -2.951 1.00 34.33 C ATOM 422 CD2 TRP A 27 12.778 3.198 -5.032 1.00 13.43 C ATOM 423 NE1 TRP A 27 10.918 3.036 -3.806 1.00 52.13 N ATOM 424 CE2 TRP A 27 11.372 3.162 -5.086 1.00 71.32 C ATOM 425 CE3 TRP A 27 13.494 3.326 -6.226 1.00 64.45 C ATOM 426 CZ2 TRP A 27 10.668 3.249 -6.284 1.00 64.33 C ATOM 427 CZ3 TRP A 27 12.793 3.410 -7.415 1.00 32.21 C ATOM 428 CH2 TRP A 27 11.394 3.372 -7.436 1.00 3.11 C ATOM 0 H TRP A 27 13.348 4.035 -1.105 1.00 41.22 H new ATOM 0 HA TRP A 27 16.003 4.256 -2.043 1.00 35.23 H new ATOM 0 HB2 TRP A 27 15.247 2.873 -3.905 1.00 34.14 H new ATOM 0 HB3 TRP A 27 14.633 2.251 -2.386 1.00 34.14 H new ATOM 0 HD1 TRP A 27 11.920 2.878 -1.879 1.00 34.33 H new ATOM 0 HE1 TRP A 27 9.938 2.987 -3.529 1.00 52.13 H new ATOM 0 HE3 TRP A 27 14.573 3.359 -6.220 1.00 64.45 H new ATOM 0 HZ2 TRP A 27 9.589 3.220 -6.303 1.00 64.33 H new ATOM 0 HZ3 TRP A 27 13.335 3.507 -8.344 1.00 32.21 H new ATOM 0 HH2 TRP A 27 10.877 3.441 -8.382 1.00 3.11 H new ATOM 439 N ARG A 28 13.851 6.296 -3.380 1.00 72.41 N ATOM 440 CA ARG A 28 13.746 7.458 -4.247 1.00 13.03 C ATOM 441 C ARG A 28 14.292 8.690 -3.557 1.00 12.14 C ATOM 442 O ARG A 28 15.305 9.250 -3.973 1.00 55.23 O ATOM 443 CB ARG A 28 12.302 7.707 -4.687 1.00 24.12 C ATOM 444 CG ARG A 28 11.737 6.636 -5.597 1.00 65.34 C ATOM 445 CD ARG A 28 10.441 7.092 -6.242 1.00 55.14 C ATOM 446 NE ARG A 28 10.651 8.256 -7.107 1.00 63.14 N ATOM 447 CZ ARG A 28 9.743 9.209 -7.336 1.00 23.45 C ATOM 448 NH1 ARG A 28 8.533 9.128 -6.795 1.00 42.51 N ATOM 449 NH2 ARG A 28 10.045 10.234 -8.119 1.00 43.41 N ATOM 0 H ARG A 28 13.024 6.110 -2.813 1.00 72.41 H new ATOM 0 HA ARG A 28 14.341 7.252 -5.137 1.00 13.03 H new ATOM 0 HB2 ARG A 28 11.672 7.784 -3.801 1.00 24.12 H new ATOM 0 HB3 ARG A 28 12.251 8.668 -5.199 1.00 24.12 H new ATOM 0 HG2 ARG A 28 12.465 6.391 -6.371 1.00 65.34 H new ATOM 0 HG3 ARG A 28 11.561 5.725 -5.025 1.00 65.34 H new ATOM 0 HD2 ARG A 28 10.017 6.275 -6.826 1.00 55.14 H new ATOM 0 HD3 ARG A 28 9.715 7.340 -5.467 1.00 55.14 H new ATOM 0 HE ARG A 28 11.557 8.345 -7.568 1.00 63.14 H new ATOM 0 HH11 ARG A 28 8.292 8.335 -6.201 1.00 42.51 H new ATOM 0 HH12 ARG A 28 7.844 9.859 -6.974 1.00 42.51 H new ATOM 0 HH21 ARG A 28 10.969 10.295 -8.546 1.00 43.41 H new ATOM 0 HH22 ARG A 28 9.353 10.963 -8.295 1.00 43.41 H new ATOM 463 N GLN A 29 13.629 9.104 -2.500 1.00 71.04 N ATOM 464 CA GLN A 29 14.040 10.279 -1.765 1.00 53.01 C ATOM 465 C GLN A 29 14.794 9.885 -0.508 1.00 31.04 C ATOM 466 O GLN A 29 14.295 9.108 0.301 1.00 12.20 O ATOM 467 CB GLN A 29 12.823 11.132 -1.399 1.00 75.11 C ATOM 468 CG GLN A 29 12.011 11.594 -2.601 1.00 31.33 C ATOM 469 CD GLN A 29 10.882 12.541 -2.230 1.00 2.33 C ATOM 470 OE1 GLN A 29 10.322 12.375 -1.046 1.00 64.11 O flip ATOM 471 NE2 GLN A 29 10.511 13.410 -3.011 1.00 0.55 N flip ATOM 0 H GLN A 29 12.799 8.642 -2.129 1.00 71.04 H new ATOM 0 HA GLN A 29 14.703 10.865 -2.401 1.00 53.01 H new ATOM 0 HB2 GLN A 29 12.176 10.559 -0.734 1.00 75.11 H new ATOM 0 HB3 GLN A 29 13.159 12.006 -0.842 1.00 75.11 H new ATOM 0 HG2 GLN A 29 12.674 12.089 -3.311 1.00 31.33 H new ATOM 0 HG3 GLN A 29 11.595 10.723 -3.107 1.00 31.33 H new ATOM 0 HE21 GLN A 29 10.967 13.509 -3.918 1.00 0.55 H new ATOM 0 HE22 GLN A 29 9.746 14.034 -2.754 1.00 0.55 H new ATOM 480 N GLU A 30 15.997 10.418 -0.351 1.00 62.12 N ATOM 481 CA GLU A 30 16.802 10.150 0.831 1.00 42.31 C ATOM 482 C GLU A 30 16.178 10.852 2.029 1.00 33.42 C ATOM 483 O GLU A 30 16.377 10.459 3.181 1.00 11.05 O ATOM 484 CB GLU A 30 18.241 10.629 0.621 1.00 4.33 C ATOM 485 CG GLU A 30 19.188 10.256 1.751 1.00 11.51 C ATOM 486 CD GLU A 30 20.590 10.764 1.525 1.00 22.43 C ATOM 487 OE1 GLU A 30 21.338 10.130 0.757 1.00 72.11 O ATOM 488 OE2 GLU A 30 20.952 11.804 2.109 1.00 21.30 O ATOM 0 H GLU A 30 16.438 11.040 -1.029 1.00 62.12 H new ATOM 0 HA GLU A 30 16.828 9.076 1.013 1.00 42.31 H new ATOM 0 HB2 GLU A 30 18.620 10.209 -0.311 1.00 4.33 H new ATOM 0 HB3 GLU A 30 18.239 11.713 0.505 1.00 4.33 H new ATOM 0 HG2 GLU A 30 18.806 10.660 2.688 1.00 11.51 H new ATOM 0 HG3 GLU A 30 19.211 9.171 1.857 1.00 11.51 H new ATOM 495 N LYS A 31 15.421 11.893 1.736 1.00 70.25 N ATOM 496 CA LYS A 31 14.706 12.637 2.739 1.00 73.12 C ATOM 497 C LYS A 31 13.319 13.004 2.220 1.00 33.32 C ATOM 498 O LYS A 31 13.165 13.433 1.073 1.00 3.35 O ATOM 499 CB LYS A 31 15.512 13.886 3.186 1.00 44.43 C ATOM 500 CG LYS A 31 16.034 14.782 2.051 1.00 11.35 C ATOM 501 CD LYS A 31 14.967 15.740 1.538 1.00 4.42 C ATOM 502 CE LYS A 31 15.506 16.661 0.452 1.00 34.30 C ATOM 503 NZ LYS A 31 15.967 15.912 -0.742 1.00 30.34 N ATOM 0 H LYS A 31 15.288 12.243 0.787 1.00 70.25 H new ATOM 0 HA LYS A 31 14.580 12.013 3.624 1.00 73.12 H new ATOM 0 HB2 LYS A 31 14.881 14.489 3.839 1.00 44.43 H new ATOM 0 HB3 LYS A 31 16.362 13.553 3.782 1.00 44.43 H new ATOM 0 HG2 LYS A 31 16.892 15.353 2.406 1.00 11.35 H new ATOM 0 HG3 LYS A 31 16.385 14.158 1.229 1.00 11.35 H new ATOM 0 HD2 LYS A 31 14.125 15.169 1.145 1.00 4.42 H new ATOM 0 HD3 LYS A 31 14.588 16.338 2.366 1.00 4.42 H new ATOM 0 HE2 LYS A 31 14.729 17.367 0.158 1.00 34.30 H new ATOM 0 HE3 LYS A 31 16.333 17.247 0.853 1.00 34.30 H new ATOM 0 HZ1 LYS A 31 16.182 16.580 -1.509 1.00 30.34 H new ATOM 0 HZ2 LYS A 31 16.823 15.372 -0.504 1.00 30.34 H new ATOM 0 HZ3 LYS A 31 15.220 15.258 -1.051 1.00 30.34 H new ATOM 517 N ILE A 32 12.316 12.790 3.037 1.00 65.21 N ATOM 518 CA ILE A 32 10.954 13.101 2.659 1.00 50.34 C ATOM 519 C ILE A 32 10.512 14.403 3.302 1.00 51.13 C ATOM 520 O ILE A 32 10.558 14.554 4.524 1.00 12.22 O ATOM 521 CB ILE A 32 9.987 11.956 3.035 1.00 13.02 C ATOM 522 CG1 ILE A 32 10.395 10.676 2.296 1.00 43.11 C ATOM 523 CG2 ILE A 32 8.546 12.333 2.703 1.00 14.32 C ATOM 524 CD1 ILE A 32 9.525 9.484 2.605 1.00 44.24 C ATOM 0 H ILE A 32 12.416 12.399 3.974 1.00 65.21 H new ATOM 0 HA ILE A 32 10.926 13.216 1.575 1.00 50.34 H new ATOM 0 HB ILE A 32 10.047 11.781 4.109 1.00 13.02 H new ATOM 0 HG12 ILE A 32 10.367 10.864 1.223 1.00 43.11 H new ATOM 0 HG13 ILE A 32 11.427 10.435 2.551 1.00 43.11 H new ATOM 0 HG21 ILE A 32 7.883 11.512 2.976 1.00 14.32 H new ATOM 0 HG22 ILE A 32 8.266 13.227 3.261 1.00 14.32 H new ATOM 0 HG23 ILE A 32 8.458 12.530 1.635 1.00 14.32 H new ATOM 0 HD11 ILE A 32 9.879 8.620 2.043 1.00 44.24 H new ATOM 0 HD12 ILE A 32 9.571 9.267 3.672 1.00 44.24 H new ATOM 0 HD13 ILE A 32 8.495 9.703 2.323 1.00 44.24 H new ATOM 536 N THR A 33 10.101 15.339 2.477 1.00 34.14 N ATOM 537 CA THR A 33 9.699 16.647 2.940 1.00 41.12 C ATOM 538 C THR A 33 8.182 16.778 3.032 1.00 72.21 C ATOM 539 O THR A 33 7.671 17.662 3.720 1.00 40.33 O ATOM 540 CB THR A 33 10.248 17.735 2.007 1.00 0.30 C ATOM 541 OG1 THR A 33 9.904 17.419 0.647 1.00 62.23 O ATOM 542 CG2 THR A 33 11.760 17.837 2.135 1.00 64.20 C ATOM 0 H THR A 33 10.036 15.215 1.467 1.00 34.14 H new ATOM 0 HA THR A 33 10.112 16.775 3.941 1.00 41.12 H new ATOM 0 HB THR A 33 9.807 18.691 2.289 1.00 0.30 H new ATOM 0 HG1 THR A 33 10.253 18.114 0.051 1.00 62.23 H new ATOM 0 HG21 THR A 33 12.130 18.614 1.466 1.00 64.20 H new ATOM 0 HG22 THR A 33 12.022 18.088 3.163 1.00 64.20 H new ATOM 0 HG23 THR A 33 12.213 16.882 1.868 1.00 64.20 H new ATOM 550 N ARG A 34 7.461 15.900 2.339 1.00 62.31 N ATOM 551 CA ARG A 34 6.008 15.956 2.347 1.00 72.23 C ATOM 552 C ARG A 34 5.479 15.643 3.748 1.00 55.12 C ATOM 553 O ARG A 34 5.931 14.703 4.401 1.00 12.13 O ATOM 554 CB ARG A 34 5.403 14.991 1.301 1.00 73.53 C ATOM 555 CG ARG A 34 5.238 13.554 1.781 1.00 22.40 C ATOM 556 CD ARG A 34 4.648 12.657 0.705 1.00 72.25 C ATOM 557 NE ARG A 34 5.652 12.225 -0.269 1.00 75.24 N ATOM 558 CZ ARG A 34 6.200 11.004 -0.280 1.00 24.42 C ATOM 559 NH1 ARG A 34 5.871 10.124 0.645 1.00 22.04 N ATOM 560 NH2 ARG A 34 7.077 10.669 -1.215 1.00 33.35 N ATOM 0 H ARG A 34 7.857 15.150 1.772 1.00 62.31 H new ATOM 0 HA ARG A 34 5.702 16.966 2.075 1.00 72.23 H new ATOM 0 HB2 ARG A 34 4.428 15.372 0.996 1.00 73.53 H new ATOM 0 HB3 ARG A 34 6.038 14.993 0.415 1.00 73.53 H new ATOM 0 HG2 ARG A 34 6.207 13.161 2.089 1.00 22.40 H new ATOM 0 HG3 ARG A 34 4.594 13.537 2.660 1.00 22.40 H new ATOM 0 HD2 ARG A 34 4.197 11.781 1.172 1.00 72.25 H new ATOM 0 HD3 ARG A 34 3.849 13.190 0.189 1.00 72.25 H new ATOM 0 HE ARG A 34 5.951 12.893 -0.980 1.00 75.24 H new ATOM 0 HH11 ARG A 34 5.198 10.373 1.370 1.00 22.04 H new ATOM 0 HH12 ARG A 34 6.289 9.194 0.636 1.00 22.04 H new ATOM 0 HH21 ARG A 34 7.339 11.344 -1.934 1.00 33.35 H new ATOM 0 HH22 ARG A 34 7.490 9.736 -1.216 1.00 33.35 H new ATOM 574 N THR A 35 4.550 16.441 4.213 1.00 63.22 N ATOM 575 CA THR A 35 3.986 16.241 5.530 1.00 41.50 C ATOM 576 C THR A 35 2.875 15.181 5.488 1.00 34.22 C ATOM 577 O THR A 35 2.535 14.663 4.414 1.00 34.44 O ATOM 578 CB THR A 35 3.442 17.572 6.115 1.00 32.24 C ATOM 579 OG1 THR A 35 3.041 17.394 7.483 1.00 54.44 O ATOM 580 CG2 THR A 35 2.263 18.080 5.302 1.00 4.51 C ATOM 0 H THR A 35 4.167 17.236 3.701 1.00 63.22 H new ATOM 0 HA THR A 35 4.783 15.885 6.183 1.00 41.50 H new ATOM 0 HB THR A 35 4.244 18.309 6.069 1.00 32.24 H new ATOM 0 HG1 THR A 35 2.702 18.242 7.838 1.00 54.44 H new ATOM 0 HG21 THR A 35 1.900 19.013 5.732 1.00 4.51 H new ATOM 0 HG22 THR A 35 2.578 18.253 4.273 1.00 4.51 H new ATOM 0 HG23 THR A 35 1.464 17.339 5.317 1.00 4.51 H new ATOM 588 N LYS A 36 2.322 14.864 6.655 1.00 32.30 N ATOM 589 CA LYS A 36 1.252 13.878 6.779 1.00 20.55 C ATOM 590 C LYS A 36 0.055 14.268 5.920 1.00 51.11 C ATOM 591 O LYS A 36 -0.575 13.416 5.293 1.00 3.42 O ATOM 592 CB LYS A 36 0.828 13.750 8.245 1.00 62.41 C ATOM 593 CG LYS A 36 -0.292 12.753 8.487 1.00 43.42 C ATOM 594 CD LYS A 36 -0.711 12.747 9.945 1.00 64.33 C ATOM 595 CE LYS A 36 -1.884 11.814 10.183 1.00 21.24 C ATOM 596 NZ LYS A 36 -2.347 11.860 11.591 1.00 2.45 N ATOM 0 H LYS A 36 2.603 15.283 7.542 1.00 32.30 H new ATOM 0 HA LYS A 36 1.626 12.916 6.429 1.00 20.55 H new ATOM 0 HB2 LYS A 36 1.695 13.456 8.837 1.00 62.41 H new ATOM 0 HB3 LYS A 36 0.512 14.729 8.606 1.00 62.41 H new ATOM 0 HG2 LYS A 36 -1.148 13.003 7.860 1.00 43.42 H new ATOM 0 HG3 LYS A 36 0.036 11.755 8.195 1.00 43.42 H new ATOM 0 HD2 LYS A 36 0.131 12.440 10.565 1.00 64.33 H new ATOM 0 HD3 LYS A 36 -0.981 13.758 10.251 1.00 64.33 H new ATOM 0 HE2 LYS A 36 -2.706 12.087 9.521 1.00 21.24 H new ATOM 0 HE3 LYS A 36 -1.595 10.794 9.928 1.00 21.24 H new ATOM 0 HZ1 LYS A 36 -3.149 11.210 11.714 1.00 2.45 H new ATOM 0 HZ2 LYS A 36 -1.570 11.575 12.221 1.00 2.45 H new ATOM 0 HZ3 LYS A 36 -2.647 12.828 11.826 1.00 2.45 H new ATOM 610 N GLU A 37 -0.236 15.564 5.888 1.00 73.52 N ATOM 611 CA GLU A 37 -1.346 16.089 5.107 1.00 63.34 C ATOM 612 C GLU A 37 -1.185 15.737 3.630 1.00 51.31 C ATOM 613 O GLU A 37 -2.141 15.310 2.978 1.00 22.41 O ATOM 614 CB GLU A 37 -1.445 17.603 5.280 1.00 13.05 C ATOM 615 CG GLU A 37 -1.619 18.043 6.723 1.00 43.54 C ATOM 616 CD GLU A 37 -1.799 19.537 6.854 1.00 53.42 C ATOM 617 OE1 GLU A 37 -2.935 20.020 6.660 1.00 55.21 O ATOM 618 OE2 GLU A 37 -0.808 20.237 7.154 1.00 71.43 O ATOM 0 H GLU A 37 0.288 16.274 6.399 1.00 73.52 H new ATOM 0 HA GLU A 37 -2.266 15.631 5.470 1.00 63.34 H new ATOM 0 HB2 GLU A 37 -0.545 18.066 4.874 1.00 13.05 H new ATOM 0 HB3 GLU A 37 -2.286 17.973 4.693 1.00 13.05 H new ATOM 0 HG2 GLU A 37 -2.484 17.537 7.152 1.00 43.54 H new ATOM 0 HG3 GLU A 37 -0.749 17.733 7.302 1.00 43.54 H new ATOM 625 N GLU A 38 0.034 15.904 3.117 1.00 22.14 N ATOM 626 CA GLU A 38 0.332 15.591 1.724 1.00 43.05 C ATOM 627 C GLU A 38 0.146 14.108 1.468 1.00 34.51 C ATOM 628 O GLU A 38 -0.512 13.716 0.514 1.00 51.43 O ATOM 629 CB GLU A 38 1.768 15.985 1.372 1.00 22.34 C ATOM 630 CG GLU A 38 2.075 17.459 1.549 1.00 24.41 C ATOM 631 CD GLU A 38 1.171 18.347 0.729 1.00 31.43 C ATOM 632 OE1 GLU A 38 1.076 18.144 -0.497 1.00 11.10 O ATOM 633 OE2 GLU A 38 0.567 19.269 1.305 1.00 43.52 O ATOM 0 H GLU A 38 0.831 16.255 3.648 1.00 22.14 H new ATOM 0 HA GLU A 38 -0.356 16.160 1.098 1.00 43.05 H new ATOM 0 HB2 GLU A 38 2.453 15.407 1.992 1.00 22.34 H new ATOM 0 HB3 GLU A 38 1.964 15.707 0.336 1.00 22.34 H new ATOM 0 HG2 GLU A 38 1.977 17.722 2.602 1.00 24.41 H new ATOM 0 HG3 GLU A 38 3.112 17.646 1.269 1.00 24.41 H new ATOM 640 N ALA A 39 0.721 13.292 2.349 1.00 52.45 N ATOM 641 CA ALA A 39 0.645 11.840 2.230 1.00 61.22 C ATOM 642 C ALA A 39 -0.799 11.377 2.106 1.00 4.32 C ATOM 643 O ALA A 39 -1.130 10.566 1.242 1.00 13.22 O ATOM 644 CB ALA A 39 1.312 11.179 3.429 1.00 25.52 C ATOM 0 H ALA A 39 1.249 13.617 3.159 1.00 52.45 H new ATOM 0 HA ALA A 39 1.173 11.544 1.324 1.00 61.22 H new ATOM 0 HB1 ALA A 39 1.249 10.095 3.329 1.00 25.52 H new ATOM 0 HB2 ALA A 39 2.359 11.479 3.474 1.00 25.52 H new ATOM 0 HB3 ALA A 39 0.806 11.489 4.343 1.00 25.52 H new ATOM 650 N LEU A 40 -1.650 11.917 2.960 1.00 75.35 N ATOM 651 CA LEU A 40 -3.059 11.577 2.962 1.00 71.21 C ATOM 652 C LEU A 40 -3.718 11.955 1.631 1.00 65.41 C ATOM 653 O LEU A 40 -4.408 11.140 1.018 1.00 31.50 O ATOM 654 CB LEU A 40 -3.763 12.279 4.125 1.00 70.21 C ATOM 655 CG LEU A 40 -5.257 11.994 4.282 1.00 62.14 C ATOM 656 CD1 LEU A 40 -5.503 10.512 4.530 1.00 32.02 C ATOM 657 CD2 LEU A 40 -5.832 12.828 5.412 1.00 32.24 C ATOM 0 H LEU A 40 -1.384 12.601 3.669 1.00 75.35 H new ATOM 0 HA LEU A 40 -3.153 10.498 3.088 1.00 71.21 H new ATOM 0 HB2 LEU A 40 -3.261 11.996 5.050 1.00 70.21 H new ATOM 0 HB3 LEU A 40 -3.630 13.354 4.007 1.00 70.21 H new ATOM 0 HG LEU A 40 -5.760 12.268 3.355 1.00 62.14 H new ATOM 0 HD11 LEU A 40 -6.573 10.334 4.638 1.00 32.02 H new ATOM 0 HD12 LEU A 40 -5.122 9.934 3.688 1.00 32.02 H new ATOM 0 HD13 LEU A 40 -4.990 10.206 5.442 1.00 32.02 H new ATOM 0 HD21 LEU A 40 -6.896 12.617 5.515 1.00 32.24 H new ATOM 0 HD22 LEU A 40 -5.322 12.581 6.343 1.00 32.24 H new ATOM 0 HD23 LEU A 40 -5.692 13.886 5.191 1.00 32.24 H new ATOM 669 N GLU A 41 -3.477 13.183 1.181 1.00 2.11 N ATOM 670 CA GLU A 41 -4.064 13.677 -0.065 1.00 60.15 C ATOM 671 C GLU A 41 -3.574 12.883 -1.268 1.00 23.33 C ATOM 672 O GLU A 41 -4.335 12.632 -2.209 1.00 55.40 O ATOM 673 CB GLU A 41 -3.765 15.159 -0.248 1.00 72.51 C ATOM 674 CG GLU A 41 -4.411 16.037 0.803 1.00 63.24 C ATOM 675 CD GLU A 41 -5.924 15.967 0.770 1.00 0.04 C ATOM 676 OE1 GLU A 41 -6.498 15.001 1.317 1.00 62.12 O ATOM 677 OE2 GLU A 41 -6.549 16.883 0.201 1.00 14.13 O ATOM 0 H GLU A 41 -2.879 13.856 1.660 1.00 2.11 H new ATOM 0 HA GLU A 41 -5.144 13.543 0.004 1.00 60.15 H new ATOM 0 HB2 GLU A 41 -2.686 15.310 -0.224 1.00 72.51 H new ATOM 0 HB3 GLU A 41 -4.109 15.472 -1.234 1.00 72.51 H new ATOM 0 HG2 GLU A 41 -4.058 15.736 1.789 1.00 63.24 H new ATOM 0 HG3 GLU A 41 -4.095 17.069 0.653 1.00 63.24 H new ATOM 684 N LEU A 42 -2.304 12.497 -1.245 1.00 61.41 N ATOM 685 CA LEU A 42 -1.743 11.680 -2.310 1.00 42.31 C ATOM 686 C LEU A 42 -2.472 10.350 -2.382 1.00 61.33 C ATOM 687 O LEU A 42 -2.939 9.948 -3.445 1.00 61.14 O ATOM 688 CB LEU A 42 -0.237 11.453 -2.103 1.00 31.43 C ATOM 689 CG LEU A 42 0.706 12.431 -2.826 1.00 30.30 C ATOM 690 CD1 LEU A 42 0.478 13.862 -2.369 1.00 11.04 C ATOM 691 CD2 LEU A 42 2.155 12.027 -2.609 1.00 30.51 C ATOM 0 H LEU A 42 -1.647 12.736 -0.503 1.00 61.41 H new ATOM 0 HA LEU A 42 -1.874 12.212 -3.253 1.00 42.31 H new ATOM 0 HB2 LEU A 42 -0.027 11.502 -1.035 1.00 31.43 H new ATOM 0 HB3 LEU A 42 0.004 10.441 -2.429 1.00 31.43 H new ATOM 0 HG LEU A 42 0.484 12.384 -3.892 1.00 30.30 H new ATOM 0 HD11 LEU A 42 1.160 14.526 -2.899 1.00 11.04 H new ATOM 0 HD12 LEU A 42 -0.551 14.153 -2.582 1.00 11.04 H new ATOM 0 HD13 LEU A 42 0.661 13.935 -1.297 1.00 11.04 H new ATOM 0 HD21 LEU A 42 2.810 12.728 -3.126 1.00 30.51 H new ATOM 0 HD22 LEU A 42 2.380 12.039 -1.543 1.00 30.51 H new ATOM 0 HD23 LEU A 42 2.316 11.023 -3.002 1.00 30.51 H new ATOM 703 N ILE A 43 -2.591 9.686 -1.234 1.00 2.23 N ATOM 704 CA ILE A 43 -3.291 8.408 -1.146 1.00 21.24 C ATOM 705 C ILE A 43 -4.726 8.543 -1.649 1.00 5.45 C ATOM 706 O ILE A 43 -5.166 7.769 -2.501 1.00 65.42 O ATOM 707 CB ILE A 43 -3.305 7.872 0.307 1.00 44.30 C ATOM 708 CG1 ILE A 43 -1.880 7.569 0.784 1.00 2.43 C ATOM 709 CG2 ILE A 43 -4.185 6.629 0.422 1.00 4.25 C ATOM 710 CD1 ILE A 43 -1.207 6.433 0.039 1.00 21.13 C ATOM 0 H ILE A 43 -2.209 10.015 -0.347 1.00 2.23 H new ATOM 0 HA ILE A 43 -2.752 7.699 -1.775 1.00 21.24 H new ATOM 0 HB ILE A 43 -3.726 8.646 0.949 1.00 44.30 H new ATOM 0 HG12 ILE A 43 -1.274 8.469 0.678 1.00 2.43 H new ATOM 0 HG13 ILE A 43 -1.908 7.327 1.846 1.00 2.43 H new ATOM 0 HG21 ILE A 43 -4.178 6.272 1.452 1.00 4.25 H new ATOM 0 HG22 ILE A 43 -5.206 6.878 0.131 1.00 4.25 H new ATOM 0 HG23 ILE A 43 -3.800 5.849 -0.235 1.00 4.25 H new ATOM 0 HD11 ILE A 43 -0.203 6.282 0.436 1.00 21.13 H new ATOM 0 HD12 ILE A 43 -1.789 5.520 0.166 1.00 21.13 H new ATOM 0 HD13 ILE A 43 -1.145 6.679 -1.021 1.00 21.13 H new ATOM 722 N ASN A 44 -5.440 9.540 -1.126 1.00 5.44 N ATOM 723 CA ASN A 44 -6.828 9.799 -1.524 1.00 24.04 C ATOM 724 C ASN A 44 -6.931 9.966 -3.033 1.00 73.35 C ATOM 725 O ASN A 44 -7.845 9.431 -3.672 1.00 24.20 O ATOM 726 CB ASN A 44 -7.370 11.058 -0.825 1.00 44.04 C ATOM 727 CG ASN A 44 -7.572 10.870 0.669 1.00 74.12 C ATOM 728 OD1 ASN A 44 -7.876 9.771 1.135 1.00 41.23 O ATOM 729 ND2 ASN A 44 -7.406 11.941 1.431 1.00 75.14 N ATOM 0 H ASN A 44 -5.080 10.185 -0.423 1.00 5.44 H new ATOM 0 HA ASN A 44 -7.428 8.941 -1.220 1.00 24.04 H new ATOM 0 HB2 ASN A 44 -6.679 11.884 -0.991 1.00 44.04 H new ATOM 0 HB3 ASN A 44 -8.319 11.340 -1.281 1.00 44.04 H new ATOM 0 HD21 ASN A 44 -7.530 11.872 2.441 1.00 75.14 H new ATOM 0 HD22 ASN A 44 -7.154 12.834 1.008 1.00 75.14 H new ATOM 736 N GLY A 45 -5.979 10.693 -3.598 1.00 23.34 N ATOM 737 CA GLY A 45 -5.960 10.921 -5.022 1.00 3.20 C ATOM 738 C GLY A 45 -5.705 9.654 -5.811 1.00 63.42 C ATOM 739 O GLY A 45 -6.438 9.349 -6.754 1.00 61.41 O ATOM 0 H GLY A 45 -5.213 11.132 -3.087 1.00 23.34 H new ATOM 0 HA2 GLY A 45 -6.913 11.351 -5.330 1.00 3.20 H new ATOM 0 HA3 GLY A 45 -5.188 11.654 -5.259 1.00 3.20 H new ATOM 743 N TYR A 46 -4.675 8.901 -5.418 1.00 63.50 N ATOM 744 CA TYR A 46 -4.330 7.661 -6.110 1.00 22.45 C ATOM 745 C TYR A 46 -5.498 6.694 -6.100 1.00 23.21 C ATOM 746 O TYR A 46 -5.798 6.073 -7.114 1.00 63.35 O ATOM 747 CB TYR A 46 -3.083 7.003 -5.501 1.00 10.30 C ATOM 748 CG TYR A 46 -1.840 7.863 -5.579 1.00 13.40 C ATOM 749 CD1 TYR A 46 -1.565 8.619 -6.713 1.00 10.24 C ATOM 750 CD2 TYR A 46 -0.946 7.923 -4.519 1.00 12.22 C ATOM 751 CE1 TYR A 46 -0.441 9.412 -6.784 1.00 32.45 C ATOM 752 CE2 TYR A 46 0.184 8.714 -4.586 1.00 60.32 C ATOM 753 CZ TYR A 46 0.429 9.457 -5.720 1.00 50.02 C ATOM 754 OH TYR A 46 1.544 10.252 -5.789 1.00 71.14 O ATOM 0 H TYR A 46 -4.070 9.128 -4.629 1.00 63.50 H new ATOM 0 HA TYR A 46 -4.101 7.918 -7.144 1.00 22.45 H new ATOM 0 HB2 TYR A 46 -3.283 6.764 -4.457 1.00 10.30 H new ATOM 0 HB3 TYR A 46 -2.894 6.060 -6.014 1.00 10.30 H new ATOM 0 HD1 TYR A 46 -2.244 8.584 -7.552 1.00 10.24 H new ATOM 0 HD2 TYR A 46 -1.137 7.342 -3.629 1.00 12.22 H new ATOM 0 HE1 TYR A 46 -0.244 9.996 -7.671 1.00 32.45 H new ATOM 0 HE2 TYR A 46 0.872 8.750 -3.754 1.00 60.32 H new ATOM 0 HH TYR A 46 2.180 9.869 -6.429 1.00 71.14 H new ATOM 764 N ILE A 47 -6.172 6.591 -4.957 1.00 61.20 N ATOM 765 CA ILE A 47 -7.344 5.729 -4.830 1.00 14.54 C ATOM 766 C ILE A 47 -8.386 6.086 -5.890 1.00 40.43 C ATOM 767 O ILE A 47 -8.898 5.214 -6.594 1.00 30.23 O ATOM 768 CB ILE A 47 -7.983 5.843 -3.420 1.00 21.41 C ATOM 769 CG1 ILE A 47 -7.027 5.295 -2.356 1.00 1.24 C ATOM 770 CG2 ILE A 47 -9.323 5.111 -3.365 1.00 75.21 C ATOM 771 CD1 ILE A 47 -7.531 5.463 -0.939 1.00 11.00 C ATOM 0 H ILE A 47 -5.926 7.094 -4.105 1.00 61.20 H new ATOM 0 HA ILE A 47 -7.011 4.702 -4.977 1.00 14.54 H new ATOM 0 HB ILE A 47 -8.167 6.897 -3.214 1.00 21.41 H new ATOM 0 HG12 ILE A 47 -6.854 4.236 -2.547 1.00 1.24 H new ATOM 0 HG13 ILE A 47 -6.065 5.798 -2.452 1.00 1.24 H new ATOM 0 HG21 ILE A 47 -9.749 5.207 -2.366 1.00 75.21 H new ATOM 0 HG22 ILE A 47 -10.006 5.547 -4.094 1.00 75.21 H new ATOM 0 HG23 ILE A 47 -9.171 4.056 -3.595 1.00 75.21 H new ATOM 0 HD11 ILE A 47 -6.801 5.052 -0.242 1.00 11.00 H new ATOM 0 HD12 ILE A 47 -7.677 6.522 -0.728 1.00 11.00 H new ATOM 0 HD13 ILE A 47 -8.478 4.936 -0.825 1.00 11.00 H new ATOM 783 N GLN A 48 -8.663 7.374 -6.025 1.00 31.34 N ATOM 784 CA GLN A 48 -9.645 7.843 -6.991 1.00 4.53 C ATOM 785 C GLN A 48 -9.173 7.605 -8.422 1.00 13.42 C ATOM 786 O GLN A 48 -9.978 7.341 -9.310 1.00 72.14 O ATOM 787 CB GLN A 48 -9.976 9.321 -6.766 1.00 25.03 C ATOM 788 CG GLN A 48 -10.562 9.604 -5.391 1.00 64.14 C ATOM 789 CD GLN A 48 -11.742 8.704 -5.064 1.00 72.31 C ATOM 790 OE1 GLN A 48 -12.485 8.284 -5.950 1.00 71.24 O ATOM 791 NE2 GLN A 48 -11.913 8.394 -3.791 1.00 33.03 N ATOM 0 H GLN A 48 -8.222 8.113 -5.478 1.00 31.34 H new ATOM 0 HA GLN A 48 -10.557 7.265 -6.840 1.00 4.53 H new ATOM 0 HB2 GLN A 48 -9.070 9.913 -6.896 1.00 25.03 H new ATOM 0 HB3 GLN A 48 -10.683 9.648 -7.529 1.00 25.03 H new ATOM 0 HG2 GLN A 48 -9.788 9.471 -4.635 1.00 64.14 H new ATOM 0 HG3 GLN A 48 -10.879 10.646 -5.342 1.00 64.14 H new ATOM 0 HE21 GLN A 48 -11.275 8.763 -3.086 1.00 33.03 H new ATOM 0 HE22 GLN A 48 -12.683 7.786 -3.513 1.00 33.03 H new ATOM 800 N LYS A 49 -7.867 7.673 -8.637 1.00 73.33 N ATOM 801 CA LYS A 49 -7.299 7.438 -9.960 1.00 75.20 C ATOM 802 C LYS A 49 -7.415 5.966 -10.347 1.00 2.13 C ATOM 803 O LYS A 49 -7.615 5.634 -11.515 1.00 4.12 O ATOM 804 CB LYS A 49 -5.842 7.895 -10.016 1.00 61.31 C ATOM 805 CG LYS A 49 -5.670 9.397 -9.844 1.00 33.54 C ATOM 806 CD LYS A 49 -4.210 9.814 -9.924 1.00 40.43 C ATOM 807 CE LYS A 49 -3.609 9.493 -11.283 1.00 2.53 C ATOM 808 NZ LYS A 49 -2.230 10.008 -11.411 1.00 14.12 N ATOM 0 H LYS A 49 -7.180 7.889 -7.914 1.00 73.33 H new ATOM 0 HA LYS A 49 -7.869 8.026 -10.680 1.00 75.20 H new ATOM 0 HB2 LYS A 49 -5.278 7.381 -9.237 1.00 61.31 H new ATOM 0 HB3 LYS A 49 -5.412 7.595 -10.972 1.00 61.31 H new ATOM 0 HG2 LYS A 49 -6.239 9.918 -10.614 1.00 33.54 H new ATOM 0 HG3 LYS A 49 -6.082 9.702 -8.882 1.00 33.54 H new ATOM 0 HD2 LYS A 49 -4.126 10.884 -9.732 1.00 40.43 H new ATOM 0 HD3 LYS A 49 -3.642 9.305 -9.145 1.00 40.43 H new ATOM 0 HE2 LYS A 49 -3.609 8.414 -11.434 1.00 2.53 H new ATOM 0 HE3 LYS A 49 -4.232 9.924 -12.067 1.00 2.53 H new ATOM 0 HZ1 LYS A 49 -1.610 9.255 -11.771 1.00 14.12 H new ATOM 0 HZ2 LYS A 49 -2.219 10.811 -12.072 1.00 14.12 H new ATOM 0 HZ3 LYS A 49 -1.889 10.321 -10.480 1.00 14.12 H new ATOM 822 N ILE A 50 -7.292 5.092 -9.363 1.00 14.05 N ATOM 823 CA ILE A 50 -7.432 3.658 -9.585 1.00 52.04 C ATOM 824 C ILE A 50 -8.896 3.322 -9.869 1.00 43.30 C ATOM 825 O ILE A 50 -9.208 2.456 -10.695 1.00 4.04 O ATOM 826 CB ILE A 50 -6.947 2.856 -8.352 1.00 50.13 C ATOM 827 CG1 ILE A 50 -5.482 3.180 -8.056 1.00 31.03 C ATOM 828 CG2 ILE A 50 -7.124 1.356 -8.577 1.00 51.34 C ATOM 829 CD1 ILE A 50 -5.016 2.707 -6.699 1.00 54.53 C ATOM 0 H ILE A 50 -7.094 5.350 -8.396 1.00 14.05 H new ATOM 0 HA ILE A 50 -6.816 3.382 -10.441 1.00 52.04 H new ATOM 0 HB ILE A 50 -7.553 3.145 -7.493 1.00 50.13 H new ATOM 0 HG12 ILE A 50 -4.856 2.725 -8.824 1.00 31.03 H new ATOM 0 HG13 ILE A 50 -5.337 4.258 -8.124 1.00 31.03 H new ATOM 0 HG21 ILE A 50 -6.777 0.813 -7.698 1.00 51.34 H new ATOM 0 HG22 ILE A 50 -8.178 1.135 -8.747 1.00 51.34 H new ATOM 0 HG23 ILE A 50 -6.544 1.048 -9.447 1.00 51.34 H new ATOM 0 HD11 ILE A 50 -3.968 2.973 -6.561 1.00 54.53 H new ATOM 0 HD12 ILE A 50 -5.616 3.182 -5.922 1.00 54.53 H new ATOM 0 HD13 ILE A 50 -5.128 1.625 -6.633 1.00 54.53 H new ATOM 841 N LYS A 51 -9.786 4.034 -9.189 1.00 32.22 N ATOM 842 CA LYS A 51 -11.220 3.849 -9.354 1.00 43.34 C ATOM 843 C LYS A 51 -11.695 4.357 -10.715 1.00 31.24 C ATOM 844 O LYS A 51 -12.586 3.775 -11.322 1.00 10.40 O ATOM 845 CB LYS A 51 -11.979 4.562 -8.233 1.00 4.13 C ATOM 846 CG LYS A 51 -11.754 3.963 -6.848 1.00 43.42 C ATOM 847 CD LYS A 51 -12.409 2.590 -6.700 1.00 73.14 C ATOM 848 CE LYS A 51 -13.906 2.685 -6.380 1.00 43.32 C ATOM 849 NZ LYS A 51 -14.689 3.359 -7.449 1.00 63.13 N ATOM 0 H LYS A 51 -9.534 4.753 -8.511 1.00 32.22 H new ATOM 0 HA LYS A 51 -11.426 2.780 -9.303 1.00 43.34 H new ATOM 0 HB2 LYS A 51 -11.680 5.610 -8.216 1.00 4.13 H new ATOM 0 HB3 LYS A 51 -13.045 4.538 -8.458 1.00 4.13 H new ATOM 0 HG2 LYS A 51 -10.684 3.875 -6.661 1.00 43.42 H new ATOM 0 HG3 LYS A 51 -12.155 4.638 -6.092 1.00 43.42 H new ATOM 0 HD2 LYS A 51 -12.273 2.025 -7.622 1.00 73.14 H new ATOM 0 HD3 LYS A 51 -11.906 2.034 -5.908 1.00 73.14 H new ATOM 0 HE2 LYS A 51 -14.303 1.682 -6.225 1.00 43.32 H new ATOM 0 HE3 LYS A 51 -14.038 3.228 -5.444 1.00 43.32 H new ATOM 0 HZ1 LYS A 51 -15.691 3.091 -7.367 1.00 63.13 H new ATOM 0 HZ2 LYS A 51 -14.597 4.390 -7.349 1.00 63.13 H new ATOM 0 HZ3 LYS A 51 -14.328 3.068 -8.380 1.00 63.13 H new ATOM 863 N SER A 52 -11.097 5.439 -11.187 1.00 51.43 N ATOM 864 CA SER A 52 -11.469 6.013 -12.474 1.00 15.42 C ATOM 865 C SER A 52 -10.735 5.324 -13.627 1.00 62.14 C ATOM 866 O SER A 52 -11.045 5.548 -14.800 1.00 33.41 O ATOM 867 CB SER A 52 -11.206 7.522 -12.480 1.00 11.15 C ATOM 868 OG SER A 52 -9.940 7.822 -11.917 1.00 62.43 O ATOM 0 H SER A 52 -10.353 5.938 -10.700 1.00 51.43 H new ATOM 0 HA SER A 52 -12.536 5.847 -12.622 1.00 15.42 H new ATOM 0 HB2 SER A 52 -11.251 7.898 -13.502 1.00 11.15 H new ATOM 0 HB3 SER A 52 -11.988 8.033 -11.918 1.00 11.15 H new ATOM 0 HG SER A 52 -10.042 8.003 -10.959 1.00 62.43 H new ATOM 874 N GLY A 53 -9.771 4.481 -13.286 1.00 63.52 N ATOM 875 CA GLY A 53 -9.023 3.760 -14.294 1.00 52.42 C ATOM 876 C GLY A 53 -8.043 4.647 -15.033 1.00 14.24 C ATOM 877 O GLY A 53 -7.814 4.470 -16.229 1.00 24.52 O ATOM 0 H GLY A 53 -9.493 4.283 -12.325 1.00 63.52 H new ATOM 0 HA2 GLY A 53 -8.482 2.940 -13.823 1.00 52.42 H new ATOM 0 HA3 GLY A 53 -9.716 3.316 -15.008 1.00 52.42 H new ATOM 881 N GLU A 54 -7.470 5.602 -14.324 1.00 73.24 N ATOM 882 CA GLU A 54 -6.509 6.519 -14.914 1.00 12.01 C ATOM 883 C GLU A 54 -5.202 5.808 -15.236 1.00 62.45 C ATOM 884 O GLU A 54 -4.846 5.629 -16.404 1.00 61.30 O ATOM 885 CB GLU A 54 -6.242 7.690 -13.973 1.00 5.14 C ATOM 886 CG GLU A 54 -7.403 8.652 -13.841 1.00 14.30 C ATOM 887 CD GLU A 54 -7.738 9.329 -15.148 1.00 4.45 C ATOM 888 OE1 GLU A 54 -6.894 10.099 -15.652 1.00 21.51 O ATOM 889 OE2 GLU A 54 -8.847 9.106 -15.675 1.00 3.21 O ATOM 0 H GLU A 54 -7.654 5.764 -13.334 1.00 73.24 H new ATOM 0 HA GLU A 54 -6.935 6.897 -15.843 1.00 12.01 H new ATOM 0 HB2 GLU A 54 -5.993 7.300 -12.986 1.00 5.14 H new ATOM 0 HB3 GLU A 54 -5.369 8.237 -14.329 1.00 5.14 H new ATOM 0 HG2 GLU A 54 -8.279 8.114 -13.479 1.00 14.30 H new ATOM 0 HG3 GLU A 54 -7.162 9.408 -13.094 1.00 14.30 H new ATOM 896 N GLU A 55 -4.498 5.398 -14.201 1.00 15.11 N ATOM 897 CA GLU A 55 -3.226 4.734 -14.368 1.00 42.34 C ATOM 898 C GLU A 55 -3.216 3.415 -13.635 1.00 50.14 C ATOM 899 O GLU A 55 -3.987 3.210 -12.693 1.00 3.41 O ATOM 900 CB GLU A 55 -2.086 5.623 -13.877 1.00 13.12 C ATOM 901 CG GLU A 55 -1.983 6.943 -14.619 1.00 2.22 C ATOM 902 CD GLU A 55 -0.844 7.793 -14.128 1.00 24.42 C ATOM 903 OE1 GLU A 55 -1.004 8.457 -13.091 1.00 64.41 O ATOM 904 OE2 GLU A 55 0.220 7.804 -14.776 1.00 63.10 O ATOM 0 H GLU A 55 -4.789 5.515 -13.230 1.00 15.11 H new ATOM 0 HA GLU A 55 -3.080 4.541 -15.431 1.00 42.34 H new ATOM 0 HB2 GLU A 55 -2.224 5.823 -12.814 1.00 13.12 H new ATOM 0 HB3 GLU A 55 -1.145 5.083 -13.980 1.00 13.12 H new ATOM 0 HG2 GLU A 55 -1.854 6.748 -15.684 1.00 2.22 H new ATOM 0 HG3 GLU A 55 -2.917 7.493 -14.506 1.00 2.22 H new ATOM 911 N ASP A 56 -2.351 2.525 -14.069 1.00 23.11 N ATOM 912 CA ASP A 56 -2.240 1.205 -13.477 1.00 13.30 C ATOM 913 C ASP A 56 -1.606 1.291 -12.106 1.00 44.33 C ATOM 914 O ASP A 56 -0.704 2.108 -11.880 1.00 12.31 O ATOM 915 CB ASP A 56 -1.410 0.284 -14.376 1.00 64.13 C ATOM 916 CG ASP A 56 -2.022 0.101 -15.748 1.00 14.13 C ATOM 917 OD1 ASP A 56 -2.890 -0.779 -15.902 1.00 53.43 O ATOM 918 OD2 ASP A 56 -1.638 0.847 -16.683 1.00 43.15 O ATOM 0 H ASP A 56 -1.705 2.693 -14.840 1.00 23.11 H new ATOM 0 HA ASP A 56 -3.243 0.791 -13.376 1.00 13.30 H new ATOM 0 HB2 ASP A 56 -0.406 0.695 -14.482 1.00 64.13 H new ATOM 0 HB3 ASP A 56 -1.307 -0.689 -13.896 1.00 64.13 H new ATOM 923 N PHE A 57 -2.068 0.447 -11.192 1.00 54.04 N ATOM 924 CA PHE A 57 -1.543 0.424 -9.838 1.00 13.25 C ATOM 925 C PHE A 57 -0.065 0.089 -9.861 1.00 25.42 C ATOM 926 O PHE A 57 0.721 0.675 -9.126 1.00 55.31 O ATOM 927 CB PHE A 57 -2.298 -0.592 -8.974 1.00 41.41 C ATOM 928 CG PHE A 57 -1.909 -0.552 -7.518 1.00 62.21 C ATOM 929 CD1 PHE A 57 -0.846 -1.305 -7.045 1.00 15.21 C ATOM 930 CD2 PHE A 57 -2.603 0.243 -6.630 1.00 14.34 C ATOM 931 CE1 PHE A 57 -0.489 -1.259 -5.713 1.00 24.15 C ATOM 932 CE2 PHE A 57 -2.252 0.291 -5.297 1.00 32.24 C ATOM 933 CZ PHE A 57 -1.194 -0.461 -4.838 1.00 71.35 C ATOM 0 H PHE A 57 -2.808 -0.232 -11.368 1.00 54.04 H new ATOM 0 HA PHE A 57 -1.681 1.413 -9.401 1.00 13.25 H new ATOM 0 HB2 PHE A 57 -3.369 -0.406 -9.061 1.00 41.41 H new ATOM 0 HB3 PHE A 57 -2.116 -1.594 -9.363 1.00 41.41 H new ATOM 0 HD1 PHE A 57 -0.292 -1.934 -7.726 1.00 15.21 H new ATOM 0 HD2 PHE A 57 -3.433 0.836 -6.983 1.00 14.34 H new ATOM 0 HE1 PHE A 57 0.343 -1.848 -5.356 1.00 24.15 H new ATOM 0 HE2 PHE A 57 -2.806 0.918 -4.614 1.00 32.24 H new ATOM 0 HZ PHE A 57 -0.917 -0.426 -3.795 1.00 71.35 H new ATOM 943 N GLU A 58 0.306 -0.853 -10.723 1.00 51.42 N ATOM 944 CA GLU A 58 1.699 -1.254 -10.872 1.00 14.14 C ATOM 945 C GLU A 58 2.571 -0.055 -11.216 1.00 31.43 C ATOM 946 O GLU A 58 3.641 0.130 -10.638 1.00 55.05 O ATOM 947 CB GLU A 58 1.838 -2.321 -11.949 1.00 30.21 C ATOM 948 CG GLU A 58 1.224 -3.658 -11.583 1.00 3.24 C ATOM 949 CD GLU A 58 1.353 -4.670 -12.696 1.00 71.43 C ATOM 950 OE1 GLU A 58 2.467 -4.831 -13.229 1.00 13.42 O ATOM 951 OE2 GLU A 58 0.337 -5.321 -13.039 1.00 44.42 O ATOM 0 H GLU A 58 -0.342 -1.354 -11.331 1.00 51.42 H new ATOM 0 HA GLU A 58 2.033 -1.668 -9.921 1.00 14.14 H new ATOM 0 HB2 GLU A 58 1.372 -1.959 -12.866 1.00 30.21 H new ATOM 0 HB3 GLU A 58 2.896 -2.467 -12.165 1.00 30.21 H new ATOM 0 HG2 GLU A 58 1.707 -4.044 -10.686 1.00 3.24 H new ATOM 0 HG3 GLU A 58 0.170 -3.518 -11.342 1.00 3.24 H new ATOM 958 N SER A 59 2.103 0.762 -12.150 1.00 4.34 N ATOM 959 CA SER A 59 2.823 1.955 -12.552 1.00 32.20 C ATOM 960 C SER A 59 2.944 2.922 -11.374 1.00 41.11 C ATOM 961 O SER A 59 4.017 3.457 -11.104 1.00 50.33 O ATOM 962 CB SER A 59 2.106 2.630 -13.722 1.00 53.22 C ATOM 963 OG SER A 59 1.889 1.707 -14.781 1.00 54.23 O ATOM 0 H SER A 59 1.223 0.616 -12.644 1.00 4.34 H new ATOM 0 HA SER A 59 3.826 1.671 -12.872 1.00 32.20 H new ATOM 0 HB2 SER A 59 1.152 3.035 -13.385 1.00 53.22 H new ATOM 0 HB3 SER A 59 2.699 3.471 -14.082 1.00 53.22 H new ATOM 0 HG SER A 59 1.428 2.158 -15.519 1.00 54.23 H new ATOM 969 N LEU A 60 1.844 3.112 -10.657 1.00 70.11 N ATOM 970 CA LEU A 60 1.822 4.010 -9.511 1.00 60.13 C ATOM 971 C LEU A 60 2.746 3.508 -8.399 1.00 0.23 C ATOM 972 O LEU A 60 3.522 4.276 -7.836 1.00 54.10 O ATOM 973 CB LEU A 60 0.392 4.167 -8.979 1.00 1.12 C ATOM 974 CG LEU A 60 -0.627 4.761 -9.958 1.00 33.24 C ATOM 975 CD1 LEU A 60 -2.012 4.797 -9.331 1.00 30.13 C ATOM 976 CD2 LEU A 60 -0.205 6.157 -10.395 1.00 35.34 C ATOM 0 H LEU A 60 0.953 2.654 -10.850 1.00 70.11 H new ATOM 0 HA LEU A 60 2.184 4.983 -9.842 1.00 60.13 H new ATOM 0 HB2 LEU A 60 0.034 3.188 -8.662 1.00 1.12 H new ATOM 0 HB3 LEU A 60 0.423 4.798 -8.091 1.00 1.12 H new ATOM 0 HG LEU A 60 -0.663 4.122 -10.840 1.00 33.24 H new ATOM 0 HD11 LEU A 60 -2.722 5.222 -10.041 1.00 30.13 H new ATOM 0 HD12 LEU A 60 -2.320 3.784 -9.071 1.00 30.13 H new ATOM 0 HD13 LEU A 60 -1.988 5.411 -8.431 1.00 30.13 H new ATOM 0 HD21 LEU A 60 -0.943 6.559 -11.089 1.00 35.34 H new ATOM 0 HD22 LEU A 60 -0.136 6.806 -9.522 1.00 35.34 H new ATOM 0 HD23 LEU A 60 0.766 6.106 -10.887 1.00 35.34 H new ATOM 988 N ALA A 61 2.675 2.215 -8.112 1.00 42.45 N ATOM 989 CA ALA A 61 3.477 1.603 -7.052 1.00 43.34 C ATOM 990 C ALA A 61 4.963 1.574 -7.406 1.00 1.11 C ATOM 991 O ALA A 61 5.817 1.498 -6.528 1.00 41.22 O ATOM 992 CB ALA A 61 2.977 0.198 -6.752 1.00 61.43 C ATOM 0 H ALA A 61 2.065 1.561 -8.602 1.00 42.45 H new ATOM 0 HA ALA A 61 3.364 2.219 -6.160 1.00 43.34 H new ATOM 0 HB1 ALA A 61 3.584 -0.243 -5.962 1.00 61.43 H new ATOM 0 HB2 ALA A 61 1.937 0.243 -6.428 1.00 61.43 H new ATOM 0 HB3 ALA A 61 3.051 -0.414 -7.651 1.00 61.43 H new ATOM 998 N SER A 62 5.269 1.634 -8.685 1.00 2.51 N ATOM 999 CA SER A 62 6.653 1.623 -9.124 1.00 22.14 C ATOM 1000 C SER A 62 7.214 3.044 -9.192 1.00 51.43 C ATOM 1001 O SER A 62 8.416 3.245 -9.398 1.00 31.30 O ATOM 1002 CB SER A 62 6.771 0.937 -10.485 1.00 32.44 C ATOM 1003 OG SER A 62 6.250 -0.389 -10.434 1.00 14.41 O ATOM 0 H SER A 62 4.583 1.691 -9.438 1.00 2.51 H new ATOM 0 HA SER A 62 7.239 1.061 -8.396 1.00 22.14 H new ATOM 0 HB2 SER A 62 6.232 1.515 -11.236 1.00 32.44 H new ATOM 0 HB3 SER A 62 7.816 0.910 -10.793 1.00 32.44 H new ATOM 0 HG SER A 62 5.281 -0.355 -10.289 1.00 14.41 H new ATOM 1009 N GLN A 63 6.340 4.025 -9.024 1.00 22.52 N ATOM 1010 CA GLN A 63 6.740 5.419 -9.092 1.00 45.41 C ATOM 1011 C GLN A 63 6.554 6.141 -7.757 1.00 31.00 C ATOM 1012 O GLN A 63 7.513 6.587 -7.145 1.00 53.12 O ATOM 1013 CB GLN A 63 5.954 6.143 -10.189 1.00 33.45 C ATOM 1014 CG GLN A 63 6.239 5.633 -11.596 1.00 33.31 C ATOM 1015 CD GLN A 63 5.345 6.266 -12.651 1.00 15.25 C ATOM 1016 OE1 GLN A 63 4.128 6.608 -12.274 1.00 55.52 O flip ATOM 1017 NE2 GLN A 63 5.747 6.439 -13.801 1.00 3.55 N flip ATOM 0 H GLN A 63 5.348 3.879 -8.839 1.00 22.52 H new ATOM 0 HA GLN A 63 7.804 5.437 -9.330 1.00 45.41 H new ATOM 0 HB2 GLN A 63 4.888 6.040 -9.986 1.00 33.45 H new ATOM 0 HB3 GLN A 63 6.186 7.207 -10.146 1.00 33.45 H new ATOM 0 HG2 GLN A 63 7.281 5.832 -11.844 1.00 33.31 H new ATOM 0 HG3 GLN A 63 6.107 4.551 -11.618 1.00 33.31 H new ATOM 0 HE21 GLN A 63 6.695 6.162 -14.057 1.00 3.55 H new ATOM 0 HE22 GLN A 63 5.132 6.859 -14.498 1.00 3.55 H new ATOM 1026 N PHE A 64 5.317 6.214 -7.300 1.00 25.02 N ATOM 1027 CA PHE A 64 4.966 7.017 -6.129 1.00 71.11 C ATOM 1028 C PHE A 64 4.954 6.209 -4.832 1.00 11.14 C ATOM 1029 O PHE A 64 4.246 6.552 -3.893 1.00 72.42 O ATOM 1030 CB PHE A 64 3.603 7.667 -6.350 1.00 10.21 C ATOM 1031 CG PHE A 64 3.513 8.444 -7.633 1.00 64.10 C ATOM 1032 CD1 PHE A 64 4.139 9.673 -7.761 1.00 42.24 C ATOM 1033 CD2 PHE A 64 2.803 7.942 -8.712 1.00 32.03 C ATOM 1034 CE1 PHE A 64 4.059 10.386 -8.941 1.00 22.35 C ATOM 1035 CE2 PHE A 64 2.720 8.652 -9.893 1.00 14.14 C ATOM 1036 CZ PHE A 64 3.349 9.875 -10.007 1.00 75.41 C ATOM 0 H PHE A 64 4.528 5.724 -7.722 1.00 25.02 H new ATOM 0 HA PHE A 64 5.738 7.778 -6.016 1.00 71.11 H new ATOM 0 HB2 PHE A 64 2.835 6.893 -6.348 1.00 10.21 H new ATOM 0 HB3 PHE A 64 3.387 8.333 -5.515 1.00 10.21 H new ATOM 0 HD1 PHE A 64 4.696 10.078 -6.929 1.00 42.24 H new ATOM 0 HD2 PHE A 64 2.309 6.985 -8.628 1.00 32.03 H new ATOM 0 HE1 PHE A 64 4.552 11.343 -9.029 1.00 22.35 H new ATOM 0 HE2 PHE A 64 2.163 8.251 -10.727 1.00 14.14 H new ATOM 0 HZ PHE A 64 3.285 10.432 -10.930 1.00 75.41 H new ATOM 1046 N SER A 65 5.739 5.159 -4.774 1.00 0.53 N ATOM 1047 CA SER A 65 5.823 4.366 -3.566 1.00 40.54 C ATOM 1048 C SER A 65 7.213 4.491 -2.961 1.00 33.33 C ATOM 1049 O SER A 65 8.209 4.111 -3.586 1.00 53.22 O ATOM 1050 CB SER A 65 5.487 2.899 -3.853 1.00 73.05 C ATOM 1051 OG SER A 65 5.465 2.125 -2.659 1.00 64.41 O ATOM 0 H SER A 65 6.326 4.834 -5.542 1.00 0.53 H new ATOM 0 HA SER A 65 5.092 4.742 -2.850 1.00 40.54 H new ATOM 0 HB2 SER A 65 4.517 2.837 -4.346 1.00 73.05 H new ATOM 0 HB3 SER A 65 6.222 2.485 -4.543 1.00 73.05 H new ATOM 0 HG SER A 65 5.246 1.195 -2.876 1.00 64.41 H new ATOM 1057 N ASP A 66 7.279 5.037 -1.752 1.00 63.13 N ATOM 1058 CA ASP A 66 8.554 5.228 -1.057 1.00 44.11 C ATOM 1059 C ASP A 66 9.153 3.884 -0.667 1.00 40.43 C ATOM 1060 O ASP A 66 10.365 3.747 -0.519 1.00 75.04 O ATOM 1061 CB ASP A 66 8.374 6.083 0.199 1.00 4.31 C ATOM 1062 CG ASP A 66 7.725 7.425 -0.064 1.00 73.32 C ATOM 1063 OD1 ASP A 66 8.321 8.264 -0.775 1.00 21.52 O ATOM 1064 OD2 ASP A 66 6.619 7.656 0.461 1.00 40.21 O ATOM 0 H ASP A 66 6.464 5.357 -1.229 1.00 63.13 H new ATOM 0 HA ASP A 66 9.229 5.744 -1.741 1.00 44.11 H new ATOM 0 HB2 ASP A 66 7.769 5.532 0.919 1.00 4.31 H new ATOM 0 HB3 ASP A 66 9.348 6.245 0.660 1.00 4.31 H new ATOM 1069 N CYS A 67 8.292 2.897 -0.494 1.00 73.42 N ATOM 1070 CA CYS A 67 8.724 1.557 -0.143 1.00 15.42 C ATOM 1071 C CYS A 67 9.354 0.890 -1.359 1.00 74.01 C ATOM 1072 O CYS A 67 9.027 1.237 -2.500 1.00 33.51 O ATOM 1073 CB CYS A 67 7.528 0.729 0.347 1.00 44.34 C ATOM 1074 SG CYS A 67 7.945 -0.912 0.985 1.00 60.10 S ATOM 0 H CYS A 67 7.282 3.000 -0.592 1.00 73.42 H new ATOM 0 HA CYS A 67 9.461 1.617 0.658 1.00 15.42 H new ATOM 0 HB2 CYS A 67 7.015 1.287 1.130 1.00 44.34 H new ATOM 0 HB3 CYS A 67 6.823 0.614 -0.476 1.00 44.34 H new ATOM 0 HG CYS A 67 7.480 -1.821 0.181 1.00 60.10 H new ATOM 1080 N SER A 68 10.237 -0.072 -1.123 1.00 71.42 N ATOM 1081 CA SER A 68 10.911 -0.792 -2.203 1.00 50.41 C ATOM 1082 C SER A 68 9.959 -1.804 -2.875 1.00 52.34 C ATOM 1083 O SER A 68 10.359 -2.914 -3.237 1.00 51.43 O ATOM 1084 CB SER A 68 12.141 -1.511 -1.650 1.00 12.44 C ATOM 1085 OG SER A 68 13.016 -0.597 -0.995 1.00 4.34 O ATOM 0 H SER A 68 10.506 -0.375 -0.187 1.00 71.42 H new ATOM 0 HA SER A 68 11.221 -0.071 -2.959 1.00 50.41 H new ATOM 0 HB2 SER A 68 11.829 -2.286 -0.950 1.00 12.44 H new ATOM 0 HB3 SER A 68 12.671 -2.009 -2.462 1.00 12.44 H new ATOM 0 HG SER A 68 13.794 -1.081 -0.648 1.00 4.34 H new ATOM 1091 N SER A 69 8.718 -1.390 -3.070 1.00 32.40 N ATOM 1092 CA SER A 69 7.696 -2.232 -3.652 1.00 42.13 C ATOM 1093 C SER A 69 7.817 -2.272 -5.174 1.00 74.41 C ATOM 1094 O SER A 69 7.330 -3.198 -5.820 1.00 52.44 O ATOM 1095 CB SER A 69 6.320 -1.711 -3.243 1.00 70.55 C ATOM 1096 OG SER A 69 6.265 -1.490 -1.838 1.00 34.22 O ATOM 0 H SER A 69 8.393 -0.454 -2.826 1.00 32.40 H new ATOM 0 HA SER A 69 7.827 -3.249 -3.282 1.00 42.13 H new ATOM 0 HB2 SER A 69 6.105 -0.782 -3.771 1.00 70.55 H new ATOM 0 HB3 SER A 69 5.552 -2.428 -3.534 1.00 70.55 H new ATOM 0 HG SER A 69 5.377 -1.155 -1.594 1.00 34.22 H new ATOM 1102 N ALA A 70 8.496 -1.272 -5.733 1.00 42.32 N ATOM 1103 CA ALA A 70 8.671 -1.158 -7.181 1.00 3.51 C ATOM 1104 C ALA A 70 9.358 -2.388 -7.766 1.00 22.44 C ATOM 1105 O ALA A 70 9.100 -2.767 -8.907 1.00 72.31 O ATOM 1106 CB ALA A 70 9.464 0.093 -7.515 1.00 54.24 C ATOM 0 H ALA A 70 8.938 -0.523 -5.200 1.00 42.32 H new ATOM 0 HA ALA A 70 7.680 -1.088 -7.630 1.00 3.51 H new ATOM 0 HB1 ALA A 70 9.588 0.167 -8.595 1.00 54.24 H new ATOM 0 HB2 ALA A 70 8.930 0.970 -7.150 1.00 54.24 H new ATOM 0 HB3 ALA A 70 10.444 0.040 -7.040 1.00 54.24 H new ATOM 1112 N LYS A 71 10.212 -3.018 -6.967 1.00 22.53 N ATOM 1113 CA LYS A 71 10.955 -4.201 -7.397 1.00 63.34 C ATOM 1114 C LYS A 71 10.015 -5.322 -7.840 1.00 61.32 C ATOM 1115 O LYS A 71 10.293 -6.037 -8.806 1.00 75.35 O ATOM 1116 CB LYS A 71 11.865 -4.692 -6.273 1.00 70.41 C ATOM 1117 CG LYS A 71 12.869 -3.655 -5.807 1.00 43.31 C ATOM 1118 CD LYS A 71 13.809 -4.224 -4.761 1.00 45.01 C ATOM 1119 CE LYS A 71 14.868 -3.211 -4.360 1.00 53.21 C ATOM 1120 NZ LYS A 71 15.679 -2.768 -5.521 1.00 75.13 N ATOM 0 H LYS A 71 10.409 -2.727 -6.009 1.00 22.53 H new ATOM 0 HA LYS A 71 11.566 -3.917 -8.254 1.00 63.34 H new ATOM 0 HB2 LYS A 71 11.250 -4.996 -5.426 1.00 70.41 H new ATOM 0 HB3 LYS A 71 12.402 -5.578 -6.612 1.00 70.41 H new ATOM 0 HG2 LYS A 71 13.446 -3.296 -6.660 1.00 43.31 H new ATOM 0 HG3 LYS A 71 12.341 -2.795 -5.395 1.00 43.31 H new ATOM 0 HD2 LYS A 71 13.239 -4.525 -3.882 1.00 45.01 H new ATOM 0 HD3 LYS A 71 14.290 -5.121 -5.151 1.00 45.01 H new ATOM 0 HE2 LYS A 71 14.388 -2.346 -3.902 1.00 53.21 H new ATOM 0 HE3 LYS A 71 15.522 -3.649 -3.606 1.00 53.21 H new ATOM 0 HZ1 LYS A 71 16.560 -2.332 -5.183 1.00 75.13 H new ATOM 0 HZ2 LYS A 71 15.906 -3.588 -6.119 1.00 75.13 H new ATOM 0 HZ3 LYS A 71 15.140 -2.073 -6.076 1.00 75.13 H new ATOM 1134 N ALA A 72 8.906 -5.468 -7.142 1.00 21.02 N ATOM 1135 CA ALA A 72 7.933 -6.488 -7.476 1.00 50.54 C ATOM 1136 C ALA A 72 6.682 -5.862 -8.081 1.00 11.31 C ATOM 1137 O ALA A 72 5.625 -6.492 -8.130 1.00 53.34 O ATOM 1138 CB ALA A 72 7.581 -7.306 -6.245 1.00 44.54 C ATOM 0 H ALA A 72 8.656 -4.892 -6.338 1.00 21.02 H new ATOM 0 HA ALA A 72 8.373 -7.153 -8.219 1.00 50.54 H new ATOM 0 HB1 ALA A 72 6.849 -8.068 -6.512 1.00 44.54 H new ATOM 0 HB2 ALA A 72 8.480 -7.786 -5.858 1.00 44.54 H new ATOM 0 HB3 ALA A 72 7.161 -6.652 -5.481 1.00 44.54 H new ATOM 1144 N ARG A 73 6.817 -4.614 -8.549 1.00 54.02 N ATOM 1145 CA ARG A 73 5.709 -3.867 -9.173 1.00 52.35 C ATOM 1146 C ARG A 73 4.584 -3.583 -8.176 1.00 1.10 C ATOM 1147 O ARG A 73 3.461 -3.273 -8.565 1.00 45.54 O ATOM 1148 CB ARG A 73 5.157 -4.617 -10.391 1.00 51.33 C ATOM 1149 CG ARG A 73 6.125 -4.702 -11.557 1.00 75.24 C ATOM 1150 CD ARG A 73 5.552 -5.543 -12.683 1.00 21.35 C ATOM 1151 NE ARG A 73 5.459 -6.963 -12.323 1.00 24.01 N ATOM 1152 CZ ARG A 73 4.474 -7.779 -12.714 1.00 2.21 C ATOM 1153 NH1 ARG A 73 3.421 -7.298 -13.357 1.00 52.05 N ATOM 1154 NH2 ARG A 73 4.522 -9.071 -12.419 1.00 34.04 N ATOM 0 H ARG A 73 7.693 -4.093 -8.508 1.00 54.02 H new ATOM 0 HA ARG A 73 6.115 -2.911 -9.504 1.00 52.35 H new ATOM 0 HB2 ARG A 73 4.880 -5.627 -10.088 1.00 51.33 H new ATOM 0 HB3 ARG A 73 4.244 -4.123 -10.725 1.00 51.33 H new ATOM 0 HG2 ARG A 73 6.346 -3.700 -11.924 1.00 75.24 H new ATOM 0 HG3 ARG A 73 7.068 -5.133 -11.220 1.00 75.24 H new ATOM 0 HD2 ARG A 73 4.561 -5.171 -12.944 1.00 21.35 H new ATOM 0 HD3 ARG A 73 6.177 -5.435 -13.569 1.00 21.35 H new ATOM 0 HE ARG A 73 6.195 -7.354 -11.735 1.00 24.01 H new ATOM 0 HH11 ARG A 73 3.358 -6.300 -13.557 1.00 52.05 H new ATOM 0 HH12 ARG A 73 2.673 -7.926 -13.652 1.00 52.05 H new ATOM 0 HH21 ARG A 73 5.312 -9.445 -11.893 1.00 34.04 H new ATOM 0 HH22 ARG A 73 3.769 -9.691 -12.719 1.00 34.04 H new ATOM 1168 N GLY A 74 4.901 -3.670 -6.898 1.00 22.42 N ATOM 1169 CA GLY A 74 3.916 -3.424 -5.872 1.00 55.52 C ATOM 1170 C GLY A 74 3.332 -4.701 -5.310 1.00 14.22 C ATOM 1171 O GLY A 74 2.663 -4.680 -4.281 1.00 4.50 O ATOM 0 H GLY A 74 5.830 -3.908 -6.550 1.00 22.42 H new ATOM 0 HA2 GLY A 74 4.373 -2.851 -5.065 1.00 55.52 H new ATOM 0 HA3 GLY A 74 3.113 -2.812 -6.283 1.00 55.52 H new ATOM 1175 N ASP A 75 3.595 -5.814 -5.970 1.00 65.23 N ATOM 1176 CA ASP A 75 3.054 -7.103 -5.547 1.00 24.53 C ATOM 1177 C ASP A 75 3.826 -7.679 -4.362 1.00 31.41 C ATOM 1178 O ASP A 75 5.057 -7.612 -4.308 1.00 61.54 O ATOM 1179 CB ASP A 75 3.054 -8.096 -6.716 1.00 1.43 C ATOM 1180 CG ASP A 75 2.582 -9.478 -6.310 1.00 45.02 C ATOM 1181 OD1 ASP A 75 1.451 -9.600 -5.800 1.00 53.21 O ATOM 1182 OD2 ASP A 75 3.339 -10.453 -6.508 1.00 40.24 O ATOM 0 H ASP A 75 4.181 -5.856 -6.804 1.00 65.23 H new ATOM 0 HA ASP A 75 2.027 -6.936 -5.224 1.00 24.53 H new ATOM 0 HB2 ASP A 75 2.411 -7.716 -7.510 1.00 1.43 H new ATOM 0 HB3 ASP A 75 4.061 -8.167 -7.127 1.00 1.43 H new ATOM 1187 N LEU A 76 3.092 -8.218 -3.404 1.00 1.13 N ATOM 1188 CA LEU A 76 3.686 -8.845 -2.227 1.00 31.13 C ATOM 1189 C LEU A 76 3.757 -10.348 -2.388 1.00 21.11 C ATOM 1190 O LEU A 76 4.462 -11.031 -1.642 1.00 31.21 O ATOM 1191 CB LEU A 76 2.877 -8.511 -0.977 1.00 34.00 C ATOM 1192 CG LEU A 76 3.204 -7.186 -0.308 1.00 4.13 C ATOM 1193 CD1 LEU A 76 2.164 -6.857 0.745 1.00 2.14 C ATOM 1194 CD2 LEU A 76 4.588 -7.248 0.318 1.00 34.11 C ATOM 0 H LEU A 76 2.072 -8.236 -3.416 1.00 1.13 H new ATOM 0 HA LEU A 76 4.698 -8.453 -2.121 1.00 31.13 H new ATOM 0 HB2 LEU A 76 1.820 -8.511 -1.242 1.00 34.00 H new ATOM 0 HB3 LEU A 76 3.023 -9.309 -0.249 1.00 34.00 H new ATOM 0 HG LEU A 76 3.194 -6.399 -1.062 1.00 4.13 H new ATOM 0 HD11 LEU A 76 2.411 -5.905 1.216 1.00 2.14 H new ATOM 0 HD12 LEU A 76 1.182 -6.786 0.277 1.00 2.14 H new ATOM 0 HD13 LEU A 76 2.150 -7.643 1.500 1.00 2.14 H new ATOM 0 HD21 LEU A 76 4.815 -6.295 0.795 1.00 34.11 H new ATOM 0 HD22 LEU A 76 4.615 -8.043 1.064 1.00 34.11 H new ATOM 0 HD23 LEU A 76 5.328 -7.451 -0.456 1.00 34.11 H new ATOM 1206 N GLY A 77 3.031 -10.861 -3.357 1.00 1.13 N ATOM 1207 CA GLY A 77 2.987 -12.280 -3.551 1.00 5.24 C ATOM 1208 C GLY A 77 2.035 -12.932 -2.582 1.00 42.31 C ATOM 1209 O GLY A 77 1.375 -12.247 -1.800 1.00 71.23 O ATOM 0 H GLY A 77 2.471 -10.317 -4.013 1.00 1.13 H new ATOM 0 HA2 GLY A 77 2.678 -12.501 -4.573 1.00 5.24 H new ATOM 0 HA3 GLY A 77 3.985 -12.699 -3.422 1.00 5.24 H new ATOM 1213 N ALA A 78 1.959 -14.241 -2.620 1.00 31.35 N ATOM 1214 CA ALA A 78 1.069 -14.968 -1.738 1.00 61.13 C ATOM 1215 C ALA A 78 1.663 -15.068 -0.338 1.00 72.03 C ATOM 1216 O ALA A 78 2.667 -15.753 -0.127 1.00 24.14 O ATOM 1217 CB ALA A 78 0.787 -16.349 -2.301 1.00 34.32 C ATOM 0 H ALA A 78 2.503 -14.828 -3.253 1.00 31.35 H new ATOM 0 HA ALA A 78 0.128 -14.423 -1.668 1.00 61.13 H new ATOM 0 HB1 ALA A 78 0.117 -16.886 -1.629 1.00 34.32 H new ATOM 0 HB2 ALA A 78 0.319 -16.254 -3.281 1.00 34.32 H new ATOM 0 HB3 ALA A 78 1.722 -16.900 -2.398 1.00 34.32 H new ATOM 1223 N PHE A 79 1.052 -14.377 0.607 1.00 64.34 N ATOM 1224 CA PHE A 79 1.523 -14.371 1.984 1.00 21.21 C ATOM 1225 C PHE A 79 0.413 -14.796 2.938 1.00 34.21 C ATOM 1226 O PHE A 79 -0.745 -14.942 2.534 1.00 73.23 O ATOM 1227 CB PHE A 79 2.058 -12.978 2.371 1.00 4.44 C ATOM 1228 CG PHE A 79 1.024 -11.878 2.334 1.00 13.32 C ATOM 1229 CD1 PHE A 79 0.241 -11.604 3.447 1.00 3.14 C ATOM 1230 CD2 PHE A 79 0.842 -11.118 1.191 1.00 5.02 C ATOM 1231 CE1 PHE A 79 -0.701 -10.597 3.417 1.00 11.43 C ATOM 1232 CE2 PHE A 79 -0.100 -10.110 1.156 1.00 33.43 C ATOM 1233 CZ PHE A 79 -0.872 -9.850 2.271 1.00 44.44 C ATOM 0 H PHE A 79 0.221 -13.807 0.446 1.00 64.34 H new ATOM 0 HA PHE A 79 2.339 -15.089 2.064 1.00 21.21 H new ATOM 0 HB2 PHE A 79 2.479 -13.030 3.375 1.00 4.44 H new ATOM 0 HB3 PHE A 79 2.874 -12.716 1.697 1.00 4.44 H new ATOM 0 HD1 PHE A 79 0.371 -12.186 4.347 1.00 3.14 H new ATOM 0 HD2 PHE A 79 1.444 -11.316 0.317 1.00 5.02 H new ATOM 0 HE1 PHE A 79 -1.304 -10.394 4.290 1.00 11.43 H new ATOM 0 HE2 PHE A 79 -0.233 -9.525 0.258 1.00 33.43 H new ATOM 0 HZ PHE A 79 -1.610 -9.062 2.245 1.00 44.44 H new ATOM 1243 N SER A 80 0.766 -14.982 4.194 1.00 3.34 N ATOM 1244 CA SER A 80 -0.190 -15.381 5.204 1.00 35.45 C ATOM 1245 C SER A 80 -0.137 -14.433 6.400 1.00 1.00 C ATOM 1246 O SER A 80 0.827 -13.675 6.562 1.00 14.32 O ATOM 1247 CB SER A 80 0.084 -16.821 5.645 1.00 64.20 C ATOM 1248 OG SER A 80 1.450 -16.997 5.990 1.00 71.34 O ATOM 0 H SER A 80 1.718 -14.861 4.541 1.00 3.34 H new ATOM 0 HA SER A 80 -1.191 -15.330 4.777 1.00 35.45 H new ATOM 0 HB2 SER A 80 -0.545 -17.069 6.500 1.00 64.20 H new ATOM 0 HB3 SER A 80 -0.183 -17.508 4.842 1.00 64.20 H new ATOM 0 HG SER A 80 1.600 -17.924 6.270 1.00 71.34 H new ATOM 1254 N ARG A 81 -1.168 -14.476 7.228 1.00 51.52 N ATOM 1255 CA ARG A 81 -1.242 -13.620 8.407 1.00 64.02 C ATOM 1256 C ARG A 81 -0.175 -13.996 9.433 1.00 34.03 C ATOM 1257 O ARG A 81 0.329 -15.121 9.438 1.00 53.50 O ATOM 1258 CB ARG A 81 -2.641 -13.680 9.027 1.00 71.45 C ATOM 1259 CG ARG A 81 -3.129 -15.081 9.331 1.00 52.11 C ATOM 1260 CD ARG A 81 -4.576 -15.070 9.781 1.00 53.02 C ATOM 1261 NE ARG A 81 -5.127 -16.417 9.863 1.00 61.32 N ATOM 1262 CZ ARG A 81 -6.286 -16.790 9.315 1.00 10.52 C ATOM 1263 NH1 ARG A 81 -7.050 -15.902 8.690 1.00 73.14 N ATOM 1264 NH2 ARG A 81 -6.685 -18.047 9.401 1.00 52.20 N ATOM 0 H ARG A 81 -1.969 -15.096 7.107 1.00 51.52 H new ATOM 0 HA ARG A 81 -1.049 -12.595 8.091 1.00 64.02 H new ATOM 0 HB2 ARG A 81 -2.642 -13.100 9.950 1.00 71.45 H new ATOM 0 HB3 ARG A 81 -3.347 -13.201 8.349 1.00 71.45 H new ATOM 0 HG2 ARG A 81 -3.026 -15.706 8.444 1.00 52.11 H new ATOM 0 HG3 ARG A 81 -2.507 -15.525 10.108 1.00 52.11 H new ATOM 0 HD2 ARG A 81 -4.650 -14.587 10.755 1.00 53.02 H new ATOM 0 HD3 ARG A 81 -5.169 -14.476 9.085 1.00 53.02 H new ATOM 0 HE ARG A 81 -4.592 -17.121 10.372 1.00 61.32 H new ATOM 0 HH11 ARG A 81 -6.753 -14.928 8.626 1.00 73.14 H new ATOM 0 HH12 ARG A 81 -7.934 -16.193 8.273 1.00 73.14 H new ATOM 0 HH21 ARG A 81 -6.107 -18.733 9.886 1.00 52.20 H new ATOM 0 HH22 ARG A 81 -7.571 -18.331 8.982 1.00 52.20 H new ATOM 1278 N GLY A 82 0.172 -13.050 10.288 1.00 54.44 N ATOM 1279 CA GLY A 82 1.201 -13.277 11.280 1.00 54.45 C ATOM 1280 C GLY A 82 2.565 -12.817 10.803 1.00 44.35 C ATOM 1281 O GLY A 82 3.427 -12.459 11.604 1.00 13.25 O ATOM 0 H GLY A 82 -0.245 -12.119 10.313 1.00 54.44 H new ATOM 0 HA2 GLY A 82 0.942 -12.749 12.198 1.00 54.45 H new ATOM 0 HA3 GLY A 82 1.242 -14.339 11.523 1.00 54.45 H new ATOM 1285 N GLN A 83 2.758 -12.822 9.494 1.00 74.45 N ATOM 1286 CA GLN A 83 4.027 -12.421 8.901 1.00 2.33 C ATOM 1287 C GLN A 83 3.903 -11.085 8.186 1.00 42.13 C ATOM 1288 O GLN A 83 4.866 -10.588 7.599 1.00 23.51 O ATOM 1289 CB GLN A 83 4.511 -13.494 7.928 1.00 22.12 C ATOM 1290 CG GLN A 83 4.926 -14.784 8.607 1.00 70.40 C ATOM 1291 CD GLN A 83 6.179 -14.617 9.435 1.00 4.14 C ATOM 1292 OE1 GLN A 83 6.120 -14.279 10.616 1.00 71.53 O ATOM 1293 NE2 GLN A 83 7.318 -14.851 8.824 1.00 33.13 N ATOM 0 H GLN A 83 2.048 -13.101 8.817 1.00 74.45 H new ATOM 0 HA GLN A 83 4.756 -12.307 9.704 1.00 2.33 H new ATOM 0 HB2 GLN A 83 3.717 -13.709 7.212 1.00 22.12 H new ATOM 0 HB3 GLN A 83 5.356 -13.104 7.360 1.00 22.12 H new ATOM 0 HG2 GLN A 83 4.115 -15.134 9.246 1.00 70.40 H new ATOM 0 HG3 GLN A 83 5.091 -15.553 7.852 1.00 70.40 H new ATOM 0 HE21 GLN A 83 7.323 -15.129 7.843 1.00 33.13 H new ATOM 0 HE22 GLN A 83 8.198 -14.754 9.331 1.00 33.13 H new ATOM 1302 N MET A 84 2.728 -10.504 8.249 1.00 74.11 N ATOM 1303 CA MET A 84 2.459 -9.239 7.589 1.00 50.24 C ATOM 1304 C MET A 84 2.264 -8.139 8.631 1.00 41.52 C ATOM 1305 O MET A 84 2.074 -8.432 9.815 1.00 41.24 O ATOM 1306 CB MET A 84 1.214 -9.383 6.690 1.00 71.24 C ATOM 1307 CG MET A 84 0.822 -8.123 5.926 1.00 23.12 C ATOM 1308 SD MET A 84 2.198 -7.396 5.006 1.00 60.41 S ATOM 1309 CE MET A 84 2.657 -8.755 3.928 1.00 52.32 C ATOM 0 H MET A 84 1.931 -10.890 8.756 1.00 74.11 H new ATOM 0 HA MET A 84 3.307 -8.962 6.963 1.00 50.24 H new ATOM 0 HB2 MET A 84 1.393 -10.184 5.973 1.00 71.24 H new ATOM 0 HB3 MET A 84 0.371 -9.692 7.309 1.00 71.24 H new ATOM 0 HG2 MET A 84 0.015 -8.361 5.233 1.00 23.12 H new ATOM 0 HG3 MET A 84 0.432 -7.386 6.628 1.00 23.12 H new ATOM 0 HE1 MET A 84 3.396 -8.412 3.204 1.00 52.32 H new ATOM 0 HE2 MET A 84 3.080 -9.564 4.523 1.00 52.32 H new ATOM 0 HE3 MET A 84 1.774 -9.116 3.401 1.00 52.32 H new ATOM 1319 N GLN A 85 2.343 -6.882 8.198 1.00 2.25 N ATOM 1320 CA GLN A 85 2.133 -5.755 9.090 1.00 22.22 C ATOM 1321 C GLN A 85 0.697 -5.801 9.597 1.00 21.13 C ATOM 1322 O GLN A 85 -0.227 -5.875 8.806 1.00 10.31 O ATOM 1323 CB GLN A 85 2.428 -4.436 8.357 1.00 53.30 C ATOM 1324 CG GLN A 85 3.791 -4.428 7.664 1.00 15.13 C ATOM 1325 CD GLN A 85 4.160 -3.085 7.050 1.00 64.33 C ATOM 1326 OE1 GLN A 85 3.298 -2.305 6.641 1.00 12.11 O ATOM 1327 NE2 GLN A 85 5.449 -2.814 6.972 1.00 73.13 N ATOM 0 H GLN A 85 2.551 -6.623 7.234 1.00 2.25 H new ATOM 0 HA GLN A 85 2.813 -5.813 9.940 1.00 22.22 H new ATOM 0 HB2 GLN A 85 1.649 -4.257 7.616 1.00 53.30 H new ATOM 0 HB3 GLN A 85 2.385 -3.613 9.070 1.00 53.30 H new ATOM 0 HG2 GLN A 85 4.557 -4.709 8.386 1.00 15.13 H new ATOM 0 HG3 GLN A 85 3.795 -5.188 6.882 1.00 15.13 H new ATOM 0 HE21 GLN A 85 6.133 -3.485 7.321 1.00 73.13 H new ATOM 0 HE22 GLN A 85 5.761 -1.934 6.562 1.00 73.13 H new ATOM 1336 N LYS A 86 0.527 -5.762 10.910 1.00 34.54 N ATOM 1337 CA LYS A 86 -0.789 -5.956 11.549 1.00 1.23 C ATOM 1338 C LYS A 86 -1.940 -5.115 10.936 1.00 72.34 C ATOM 1339 O LYS A 86 -2.971 -5.683 10.561 1.00 1.31 O ATOM 1340 CB LYS A 86 -0.696 -5.775 13.068 1.00 12.55 C ATOM 1341 CG LYS A 86 0.249 -6.767 13.740 1.00 32.20 C ATOM 1342 CD LYS A 86 -0.196 -8.210 13.513 1.00 4.11 C ATOM 1343 CE LYS A 86 0.783 -9.205 14.116 1.00 3.42 C ATOM 1344 NZ LYS A 86 0.949 -9.007 15.575 1.00 5.42 N ATOM 0 H LYS A 86 1.287 -5.596 11.570 1.00 34.54 H new ATOM 0 HA LYS A 86 -1.064 -6.989 11.336 1.00 1.23 H new ATOM 0 HB2 LYS A 86 -0.361 -4.761 13.286 1.00 12.55 H new ATOM 0 HB3 LYS A 86 -1.691 -5.882 13.501 1.00 12.55 H new ATOM 0 HG2 LYS A 86 1.258 -6.631 13.350 1.00 32.20 H new ATOM 0 HG3 LYS A 86 0.291 -6.563 14.810 1.00 32.20 H new ATOM 0 HD2 LYS A 86 -1.182 -8.359 13.952 1.00 4.11 H new ATOM 0 HD3 LYS A 86 -0.291 -8.397 12.443 1.00 4.11 H new ATOM 0 HE2 LYS A 86 0.432 -10.219 13.926 1.00 3.42 H new ATOM 0 HE3 LYS A 86 1.751 -9.105 13.624 1.00 3.42 H new ATOM 0 HZ1 LYS A 86 1.487 -9.803 15.974 1.00 5.42 H new ATOM 0 HZ2 LYS A 86 1.463 -8.120 15.749 1.00 5.42 H new ATOM 0 HZ3 LYS A 86 0.014 -8.959 16.027 1.00 5.42 H new ATOM 1358 N PRO A 87 -1.800 -3.764 10.804 1.00 53.41 N ATOM 1359 CA PRO A 87 -2.865 -2.929 10.218 1.00 31.25 C ATOM 1360 C PRO A 87 -3.119 -3.287 8.753 1.00 73.04 C ATOM 1361 O PRO A 87 -4.224 -3.110 8.235 1.00 51.11 O ATOM 1362 CB PRO A 87 -2.315 -1.498 10.325 1.00 63.43 C ATOM 1363 CG PRO A 87 -1.218 -1.577 11.330 1.00 35.11 C ATOM 1364 CD PRO A 87 -0.637 -2.953 11.206 1.00 75.34 C ATOM 0 HA PRO A 87 -3.818 -3.065 10.730 1.00 31.25 H new ATOM 0 HB2 PRO A 87 -1.943 -1.146 9.363 1.00 63.43 H new ATOM 0 HB3 PRO A 87 -3.090 -0.800 10.642 1.00 63.43 H new ATOM 0 HG2 PRO A 87 -0.461 -0.816 11.141 1.00 35.11 H new ATOM 0 HG3 PRO A 87 -1.599 -1.404 12.337 1.00 35.11 H new ATOM 0 HD2 PRO A 87 0.159 -2.990 10.462 1.00 75.34 H new ATOM 0 HD3 PRO A 87 -0.210 -3.298 12.148 1.00 75.34 H new ATOM 1372 N PHE A 88 -2.086 -3.802 8.106 1.00 20.25 N ATOM 1373 CA PHE A 88 -2.148 -4.198 6.708 1.00 11.43 C ATOM 1374 C PHE A 88 -2.793 -5.584 6.593 1.00 41.45 C ATOM 1375 O PHE A 88 -3.574 -5.854 5.674 1.00 60.01 O ATOM 1376 CB PHE A 88 -0.721 -4.220 6.126 1.00 40.22 C ATOM 1377 CG PHE A 88 -0.645 -4.390 4.633 1.00 30.23 C ATOM 1378 CD1 PHE A 88 -0.790 -5.637 4.052 1.00 62.11 C ATOM 1379 CD2 PHE A 88 -0.417 -3.298 3.813 1.00 11.22 C ATOM 1380 CE1 PHE A 88 -0.714 -5.794 2.685 1.00 53.22 C ATOM 1381 CE2 PHE A 88 -0.338 -3.449 2.444 1.00 40.51 C ATOM 1382 CZ PHE A 88 -0.489 -4.701 1.880 1.00 21.42 C ATOM 0 H PHE A 88 -1.175 -3.958 8.538 1.00 20.25 H new ATOM 0 HA PHE A 88 -2.752 -3.485 6.147 1.00 11.43 H new ATOM 0 HB2 PHE A 88 -0.220 -3.290 6.397 1.00 40.22 H new ATOM 0 HB3 PHE A 88 -0.165 -5.030 6.597 1.00 40.22 H new ATOM 0 HD1 PHE A 88 -0.965 -6.499 4.678 1.00 62.11 H new ATOM 0 HD2 PHE A 88 -0.300 -2.317 4.250 1.00 11.22 H new ATOM 0 HE1 PHE A 88 -0.831 -6.774 2.246 1.00 53.22 H new ATOM 0 HE2 PHE A 88 -0.158 -2.590 1.814 1.00 40.51 H new ATOM 0 HZ PHE A 88 -0.431 -4.822 0.808 1.00 21.42 H new ATOM 1392 N GLU A 89 -2.462 -6.440 7.545 1.00 63.53 N ATOM 1393 CA GLU A 89 -2.956 -7.806 7.601 1.00 24.04 C ATOM 1394 C GLU A 89 -4.472 -7.840 7.716 1.00 14.52 C ATOM 1395 O GLU A 89 -5.160 -8.376 6.839 1.00 33.51 O ATOM 1396 CB GLU A 89 -2.341 -8.524 8.796 1.00 24.41 C ATOM 1397 CG GLU A 89 -2.816 -9.949 8.964 1.00 2.33 C ATOM 1398 CD GLU A 89 -2.449 -10.519 10.307 1.00 30.32 C ATOM 1399 OE1 GLU A 89 -1.281 -10.886 10.494 1.00 61.44 O ATOM 1400 OE2 GLU A 89 -3.343 -10.613 11.180 1.00 60.24 O ATOM 0 H GLU A 89 -1.833 -6.202 8.312 1.00 63.53 H new ATOM 0 HA GLU A 89 -2.671 -8.308 6.677 1.00 24.04 H new ATOM 0 HB2 GLU A 89 -1.256 -8.523 8.689 1.00 24.41 H new ATOM 0 HB3 GLU A 89 -2.573 -7.965 9.702 1.00 24.41 H new ATOM 0 HG2 GLU A 89 -3.898 -9.986 8.840 1.00 2.33 H new ATOM 0 HG3 GLU A 89 -2.384 -10.569 8.178 1.00 2.33 H new ATOM 1407 N ASP A 90 -4.994 -7.246 8.788 1.00 25.24 N ATOM 1408 CA ASP A 90 -6.437 -7.240 9.037 1.00 21.43 C ATOM 1409 C ASP A 90 -7.184 -6.489 7.955 1.00 13.01 C ATOM 1410 O ASP A 90 -8.395 -6.617 7.830 1.00 14.52 O ATOM 1411 CB ASP A 90 -6.769 -6.641 10.403 1.00 31.01 C ATOM 1412 CG ASP A 90 -6.351 -7.521 11.560 1.00 35.04 C ATOM 1413 OD1 ASP A 90 -6.929 -8.625 11.721 1.00 25.42 O ATOM 1414 OD2 ASP A 90 -5.465 -7.108 12.331 1.00 11.31 O ATOM 0 H ASP A 90 -4.442 -6.763 9.497 1.00 25.24 H new ATOM 0 HA ASP A 90 -6.761 -8.281 9.026 1.00 21.43 H new ATOM 0 HB2 ASP A 90 -6.278 -5.672 10.496 1.00 31.01 H new ATOM 0 HB3 ASP A 90 -7.842 -6.461 10.462 1.00 31.01 H new ATOM 1419 N ALA A 91 -6.463 -5.696 7.184 1.00 20.13 N ATOM 1420 CA ALA A 91 -7.060 -4.968 6.090 1.00 54.40 C ATOM 1421 C ALA A 91 -7.145 -5.850 4.857 1.00 10.52 C ATOM 1422 O ALA A 91 -8.176 -5.904 4.194 1.00 73.03 O ATOM 1423 CB ALA A 91 -6.273 -3.708 5.791 1.00 63.25 C ATOM 0 H ALA A 91 -5.461 -5.542 7.299 1.00 20.13 H new ATOM 0 HA ALA A 91 -8.069 -4.676 6.379 1.00 54.40 H new ATOM 0 HB1 ALA A 91 -6.741 -3.175 4.963 1.00 63.25 H new ATOM 0 HB2 ALA A 91 -6.261 -3.069 6.674 1.00 63.25 H new ATOM 0 HB3 ALA A 91 -5.251 -3.973 5.521 1.00 63.25 H new ATOM 1429 N SER A 92 -6.061 -6.558 4.573 1.00 1.32 N ATOM 1430 CA SER A 92 -5.992 -7.446 3.421 1.00 2.40 C ATOM 1431 C SER A 92 -6.983 -8.593 3.556 1.00 75.55 C ATOM 1432 O SER A 92 -7.708 -8.922 2.613 1.00 14.04 O ATOM 1433 CB SER A 92 -4.581 -8.001 3.275 1.00 42.34 C ATOM 1434 OG SER A 92 -3.642 -6.958 3.098 1.00 20.24 O ATOM 0 H SER A 92 -5.208 -6.534 5.132 1.00 1.32 H new ATOM 0 HA SER A 92 -6.250 -6.870 2.532 1.00 2.40 H new ATOM 0 HB2 SER A 92 -4.322 -8.582 4.160 1.00 42.34 H new ATOM 0 HB3 SER A 92 -4.540 -8.681 2.424 1.00 42.34 H new ATOM 0 HG SER A 92 -3.229 -7.037 2.213 1.00 20.24 H new ATOM 1440 N PHE A 93 -7.031 -9.183 4.738 1.00 31.32 N ATOM 1441 CA PHE A 93 -7.916 -10.308 4.998 1.00 10.32 C ATOM 1442 C PHE A 93 -9.354 -9.850 5.241 1.00 43.13 C ATOM 1443 O PHE A 93 -10.226 -10.650 5.579 1.00 5.15 O ATOM 1444 CB PHE A 93 -7.400 -11.134 6.173 1.00 24.12 C ATOM 1445 CG PHE A 93 -6.138 -11.896 5.860 1.00 25.35 C ATOM 1446 CD1 PHE A 93 -6.197 -13.129 5.229 1.00 70.34 C ATOM 1447 CD2 PHE A 93 -4.896 -11.380 6.190 1.00 45.42 C ATOM 1448 CE1 PHE A 93 -5.044 -13.831 4.936 1.00 54.53 C ATOM 1449 CE2 PHE A 93 -3.739 -12.077 5.899 1.00 14.52 C ATOM 1450 CZ PHE A 93 -3.814 -13.304 5.271 1.00 51.24 C ATOM 0 H PHE A 93 -6.464 -8.900 5.538 1.00 31.32 H new ATOM 0 HA PHE A 93 -7.923 -10.938 4.109 1.00 10.32 H new ATOM 0 HB2 PHE A 93 -7.216 -10.473 7.020 1.00 24.12 H new ATOM 0 HB3 PHE A 93 -8.174 -11.838 6.481 1.00 24.12 H new ATOM 0 HD1 PHE A 93 -7.157 -13.546 4.963 1.00 70.34 H new ATOM 0 HD2 PHE A 93 -4.831 -10.420 6.681 1.00 45.42 H new ATOM 0 HE1 PHE A 93 -5.105 -14.791 4.445 1.00 54.53 H new ATOM 0 HE2 PHE A 93 -2.777 -11.662 6.163 1.00 14.52 H new ATOM 0 HZ PHE A 93 -2.911 -13.851 5.042 1.00 51.24 H new ATOM 1460 N ALA A 94 -9.591 -8.563 5.068 1.00 4.23 N ATOM 1461 CA ALA A 94 -10.925 -8.008 5.193 1.00 64.21 C ATOM 1462 C ALA A 94 -11.477 -7.695 3.814 1.00 65.52 C ATOM 1463 O ALA A 94 -12.619 -7.254 3.670 1.00 62.42 O ATOM 1464 CB ALA A 94 -10.901 -6.752 6.046 1.00 61.43 C ATOM 0 H ALA A 94 -8.871 -7.878 4.839 1.00 4.23 H new ATOM 0 HA ALA A 94 -11.569 -8.740 5.680 1.00 64.21 H new ATOM 0 HB1 ALA A 94 -11.910 -6.349 6.129 1.00 61.43 H new ATOM 0 HB2 ALA A 94 -10.524 -6.994 7.040 1.00 61.43 H new ATOM 0 HB3 ALA A 94 -10.251 -6.010 5.582 1.00 61.43 H new ATOM 1470 N LEU A 95 -10.653 -7.924 2.804 1.00 31.33 N ATOM 1471 CA LEU A 95 -11.025 -7.661 1.426 1.00 31.25 C ATOM 1472 C LEU A 95 -11.190 -8.972 0.669 1.00 10.23 C ATOM 1473 O LEU A 95 -11.085 -10.051 1.251 1.00 73.22 O ATOM 1474 CB LEU A 95 -9.950 -6.811 0.739 1.00 35.13 C ATOM 1475 CG LEU A 95 -9.574 -5.500 1.429 1.00 72.45 C ATOM 1476 CD1 LEU A 95 -8.487 -4.787 0.641 1.00 53.53 C ATOM 1477 CD2 LEU A 95 -10.794 -4.602 1.595 1.00 45.51 C ATOM 0 H LEU A 95 -9.710 -8.296 2.917 1.00 31.33 H new ATOM 0 HA LEU A 95 -11.970 -7.118 1.421 1.00 31.25 H new ATOM 0 HB2 LEU A 95 -9.048 -7.416 0.640 1.00 35.13 H new ATOM 0 HB3 LEU A 95 -10.291 -6.580 -0.270 1.00 35.13 H new ATOM 0 HG LEU A 95 -9.191 -5.732 2.423 1.00 72.45 H new ATOM 0 HD11 LEU A 95 -8.227 -3.854 1.142 1.00 53.53 H new ATOM 0 HD12 LEU A 95 -7.605 -5.424 0.580 1.00 53.53 H new ATOM 0 HD13 LEU A 95 -8.849 -4.571 -0.364 1.00 53.53 H new ATOM 0 HD21 LEU A 95 -10.500 -3.676 2.088 1.00 45.51 H new ATOM 0 HD22 LEU A 95 -11.214 -4.374 0.615 1.00 45.51 H new ATOM 0 HD23 LEU A 95 -11.543 -5.113 2.200 1.00 45.51 H new ATOM 1489 N ARG A 96 -11.443 -8.870 -0.623 1.00 74.51 N ATOM 1490 CA ARG A 96 -11.589 -10.035 -1.479 1.00 12.20 C ATOM 1491 C ARG A 96 -10.862 -9.814 -2.801 1.00 64.43 C ATOM 1492 O ARG A 96 -10.193 -8.793 -2.987 1.00 74.12 O ATOM 1493 CB ARG A 96 -13.075 -10.345 -1.725 1.00 45.42 C ATOM 1494 CG ARG A 96 -13.802 -10.889 -0.501 1.00 0.20 C ATOM 1495 CD ARG A 96 -13.347 -12.302 -0.167 1.00 51.12 C ATOM 1496 NE ARG A 96 -13.864 -12.756 1.126 1.00 61.01 N ATOM 1497 CZ ARG A 96 -14.757 -13.740 1.295 1.00 71.25 C ATOM 1498 NH1 ARG A 96 -15.277 -14.374 0.244 1.00 64.31 N ATOM 1499 NH2 ARG A 96 -15.123 -14.092 2.522 1.00 5.15 N ATOM 0 H ARG A 96 -11.553 -7.980 -1.108 1.00 74.51 H new ATOM 0 HA ARG A 96 -11.142 -10.892 -0.975 1.00 12.20 H new ATOM 0 HB2 ARG A 96 -13.575 -9.436 -2.059 1.00 45.42 H new ATOM 0 HB3 ARG A 96 -13.156 -11.069 -2.535 1.00 45.42 H new ATOM 0 HG2 ARG A 96 -13.620 -10.235 0.352 1.00 0.20 H new ATOM 0 HG3 ARG A 96 -14.877 -10.885 -0.683 1.00 0.20 H new ATOM 0 HD2 ARG A 96 -13.680 -12.984 -0.950 1.00 51.12 H new ATOM 0 HD3 ARG A 96 -12.258 -12.338 -0.154 1.00 51.12 H new ATOM 0 HE ARG A 96 -13.517 -12.287 1.963 1.00 61.01 H new ATOM 0 HH11 ARG A 96 -14.996 -14.111 -0.701 1.00 64.31 H new ATOM 0 HH12 ARG A 96 -15.956 -15.122 0.384 1.00 64.31 H new ATOM 0 HH21 ARG A 96 -14.725 -13.614 3.330 1.00 5.15 H new ATOM 0 HH22 ARG A 96 -15.803 -14.841 2.656 1.00 5.15 H new ATOM 1513 N THR A 97 -10.992 -10.766 -3.705 1.00 41.21 N ATOM 1514 CA THR A 97 -10.341 -10.702 -5.000 1.00 34.52 C ATOM 1515 C THR A 97 -10.877 -9.534 -5.841 1.00 61.44 C ATOM 1516 O THR A 97 -12.056 -9.510 -6.215 1.00 40.34 O ATOM 1517 CB THR A 97 -10.563 -12.014 -5.762 1.00 70.22 C ATOM 1518 OG1 THR A 97 -10.198 -13.123 -4.928 1.00 1.40 O ATOM 1519 CG2 THR A 97 -9.752 -12.048 -7.047 1.00 32.31 C ATOM 0 H THR A 97 -11.552 -11.606 -3.562 1.00 41.21 H new ATOM 0 HA THR A 97 -9.276 -10.545 -4.828 1.00 34.52 H new ATOM 0 HB THR A 97 -11.618 -12.082 -6.025 1.00 70.22 H new ATOM 0 HG1 THR A 97 -9.407 -12.888 -4.399 1.00 1.40 H new ATOM 0 HG21 THR A 97 -9.930 -12.990 -7.565 1.00 32.31 H new ATOM 0 HG22 THR A 97 -10.051 -11.219 -7.688 1.00 32.31 H new ATOM 0 HG23 THR A 97 -8.692 -11.959 -6.811 1.00 32.31 H new ATOM 1527 N GLY A 98 -10.010 -8.571 -6.127 1.00 42.11 N ATOM 1528 CA GLY A 98 -10.400 -7.430 -6.931 1.00 13.33 C ATOM 1529 C GLY A 98 -10.879 -6.271 -6.087 1.00 15.25 C ATOM 1530 O GLY A 98 -11.469 -5.321 -6.603 1.00 32.30 O ATOM 0 H GLY A 98 -9.039 -8.561 -5.814 1.00 42.11 H new ATOM 0 HA2 GLY A 98 -9.553 -7.109 -7.538 1.00 13.33 H new ATOM 0 HA3 GLY A 98 -11.191 -7.727 -7.619 1.00 13.33 H new ATOM 1534 N GLU A 99 -10.622 -6.344 -4.793 1.00 61.31 N ATOM 1535 CA GLU A 99 -11.050 -5.308 -3.874 1.00 3.34 C ATOM 1536 C GLU A 99 -9.863 -4.450 -3.426 1.00 52.25 C ATOM 1537 O GLU A 99 -8.720 -4.927 -3.370 1.00 61.31 O ATOM 1538 CB GLU A 99 -11.746 -5.939 -2.664 1.00 72.01 C ATOM 1539 CG GLU A 99 -12.348 -4.933 -1.702 1.00 14.34 C ATOM 1540 CD GLU A 99 -13.392 -4.066 -2.358 1.00 1.21 C ATOM 1541 OE1 GLU A 99 -14.574 -4.460 -2.365 1.00 75.42 O ATOM 1542 OE2 GLU A 99 -13.038 -2.984 -2.868 1.00 3.13 O ATOM 0 H GLU A 99 -10.117 -7.114 -4.355 1.00 61.31 H new ATOM 0 HA GLU A 99 -11.757 -4.658 -4.389 1.00 3.34 H new ATOM 0 HB2 GLU A 99 -12.534 -6.604 -3.018 1.00 72.01 H new ATOM 0 HB3 GLU A 99 -11.027 -6.555 -2.125 1.00 72.01 H new ATOM 0 HG2 GLU A 99 -12.795 -5.462 -0.860 1.00 14.34 H new ATOM 0 HG3 GLU A 99 -11.557 -4.302 -1.298 1.00 14.34 H new ATOM 1549 N MET A 100 -10.143 -3.192 -3.109 1.00 42.21 N ATOM 1550 CA MET A 100 -9.123 -2.254 -2.676 1.00 44.53 C ATOM 1551 C MET A 100 -9.607 -1.462 -1.468 1.00 62.11 C ATOM 1552 O MET A 100 -10.724 -0.936 -1.467 1.00 71.12 O ATOM 1553 CB MET A 100 -8.769 -1.294 -3.814 1.00 52.44 C ATOM 1554 CG MET A 100 -7.687 -0.284 -3.459 1.00 30.41 C ATOM 1555 SD MET A 100 -7.333 0.864 -4.804 1.00 52.22 S ATOM 1556 CE MET A 100 -8.928 1.655 -5.006 1.00 64.25 C ATOM 0 H MET A 100 -11.083 -2.797 -3.146 1.00 42.21 H new ATOM 0 HA MET A 100 -8.234 -2.819 -2.395 1.00 44.53 H new ATOM 0 HB2 MET A 100 -8.441 -1.874 -4.676 1.00 52.44 H new ATOM 0 HB3 MET A 100 -9.668 -0.757 -4.115 1.00 52.44 H new ATOM 0 HG2 MET A 100 -7.997 0.279 -2.579 1.00 30.41 H new ATOM 0 HG3 MET A 100 -6.774 -0.816 -3.192 1.00 30.41 H new ATOM 0 HE1 MET A 100 -8.794 2.628 -5.478 1.00 64.25 H new ATOM 0 HE2 MET A 100 -9.566 1.032 -5.633 1.00 64.25 H new ATOM 0 HE3 MET A 100 -9.395 1.786 -4.030 1.00 64.25 H new ATOM 1566 N SER A 101 -8.775 -1.378 -0.449 1.00 44.41 N ATOM 1567 CA SER A 101 -9.117 -0.646 0.757 1.00 14.23 C ATOM 1568 C SER A 101 -8.759 0.831 0.608 1.00 75.31 C ATOM 1569 O SER A 101 -8.269 1.261 -0.443 1.00 52.14 O ATOM 1570 CB SER A 101 -8.392 -1.248 1.962 1.00 61.33 C ATOM 1571 OG SER A 101 -6.996 -1.325 1.727 1.00 21.14 O ATOM 0 H SER A 101 -7.851 -1.810 -0.431 1.00 44.41 H new ATOM 0 HA SER A 101 -10.192 -0.725 0.917 1.00 14.23 H new ATOM 0 HB2 SER A 101 -8.583 -0.641 2.847 1.00 61.33 H new ATOM 0 HB3 SER A 101 -8.785 -2.243 2.168 1.00 61.33 H new ATOM 0 HG SER A 101 -6.567 -1.812 2.462 1.00 21.14 H new ATOM 1577 N GLY A 102 -9.020 1.603 1.645 1.00 55.34 N ATOM 1578 CA GLY A 102 -8.697 3.004 1.621 1.00 22.34 C ATOM 1579 C GLY A 102 -7.337 3.275 2.224 1.00 53.32 C ATOM 1580 O GLY A 102 -6.462 2.405 2.196 1.00 33.52 O ATOM 0 H GLY A 102 -9.454 1.279 2.509 1.00 55.34 H new ATOM 0 HA2 GLY A 102 -8.717 3.365 0.593 1.00 22.34 H new ATOM 0 HA3 GLY A 102 -9.456 3.562 2.170 1.00 22.34 H new ATOM 1584 N PRO A 103 -7.126 4.472 2.783 1.00 0.00 N ATOM 1585 CA PRO A 103 -5.856 4.842 3.401 1.00 63.44 C ATOM 1586 C PRO A 103 -5.565 4.012 4.648 1.00 3.41 C ATOM 1587 O PRO A 103 -6.150 4.240 5.712 1.00 75.14 O ATOM 1588 CB PRO A 103 -6.045 6.325 3.779 1.00 65.35 C ATOM 1589 CG PRO A 103 -7.238 6.774 3.006 1.00 22.52 C ATOM 1590 CD PRO A 103 -8.104 5.564 2.852 1.00 62.51 C ATOM 0 HA PRO A 103 -5.014 4.669 2.730 1.00 63.44 H new ATOM 0 HB2 PRO A 103 -6.203 6.441 4.851 1.00 65.35 H new ATOM 0 HB3 PRO A 103 -5.164 6.913 3.521 1.00 65.35 H new ATOM 0 HG2 PRO A 103 -7.767 7.569 3.531 1.00 22.52 H new ATOM 0 HG3 PRO A 103 -6.947 7.173 2.034 1.00 22.52 H new ATOM 0 HD2 PRO A 103 -8.785 5.444 3.694 1.00 62.51 H new ATOM 0 HD3 PRO A 103 -8.716 5.616 1.952 1.00 62.51 H new ATOM 1598 N VAL A 104 -4.690 3.035 4.509 1.00 62.32 N ATOM 1599 CA VAL A 104 -4.312 2.197 5.625 1.00 21.30 C ATOM 1600 C VAL A 104 -3.110 2.790 6.340 1.00 13.24 C ATOM 1601 O VAL A 104 -1.977 2.699 5.858 1.00 11.01 O ATOM 1602 CB VAL A 104 -3.982 0.753 5.171 1.00 71.24 C ATOM 1603 CG1 VAL A 104 -3.625 -0.124 6.364 1.00 51.32 C ATOM 1604 CG2 VAL A 104 -5.150 0.157 4.398 1.00 53.11 C ATOM 0 H VAL A 104 -4.227 2.803 3.630 1.00 62.32 H new ATOM 0 HA VAL A 104 -5.162 2.154 6.305 1.00 21.30 H new ATOM 0 HB VAL A 104 -3.116 0.794 4.511 1.00 71.24 H new ATOM 0 HG11 VAL A 104 -3.398 -1.133 6.019 1.00 51.32 H new ATOM 0 HG12 VAL A 104 -2.755 0.290 6.873 1.00 51.32 H new ATOM 0 HG13 VAL A 104 -4.467 -0.158 7.055 1.00 51.32 H new ATOM 0 HG21 VAL A 104 -4.901 -0.857 4.087 1.00 53.11 H new ATOM 0 HG22 VAL A 104 -6.034 0.134 5.035 1.00 53.11 H new ATOM 0 HG23 VAL A 104 -5.353 0.767 3.518 1.00 53.11 H new ATOM 1614 N PHE A 105 -3.362 3.419 7.472 1.00 14.30 N ATOM 1615 CA PHE A 105 -2.304 4.023 8.262 1.00 13.30 C ATOM 1616 C PHE A 105 -1.490 2.934 8.941 1.00 51.53 C ATOM 1617 O PHE A 105 -1.944 2.311 9.901 1.00 13.44 O ATOM 1618 CB PHE A 105 -2.893 4.977 9.306 1.00 23.03 C ATOM 1619 CG PHE A 105 -3.817 6.017 8.729 1.00 12.54 C ATOM 1620 CD1 PHE A 105 -3.315 7.190 8.193 1.00 40.33 C ATOM 1621 CD2 PHE A 105 -5.189 5.818 8.726 1.00 60.13 C ATOM 1622 CE1 PHE A 105 -4.162 8.144 7.663 1.00 21.02 C ATOM 1623 CE2 PHE A 105 -6.040 6.768 8.197 1.00 63.21 C ATOM 1624 CZ PHE A 105 -5.526 7.933 7.665 1.00 74.43 C ATOM 0 H PHE A 105 -4.296 3.526 7.868 1.00 14.30 H new ATOM 0 HA PHE A 105 -1.653 4.598 7.603 1.00 13.30 H new ATOM 0 HB2 PHE A 105 -3.436 4.395 10.050 1.00 23.03 H new ATOM 0 HB3 PHE A 105 -2.077 5.478 9.827 1.00 23.03 H new ATOM 0 HD1 PHE A 105 -2.249 7.362 8.189 1.00 40.33 H new ATOM 0 HD2 PHE A 105 -5.597 4.909 9.142 1.00 60.13 H new ATOM 0 HE1 PHE A 105 -3.757 9.055 7.247 1.00 21.02 H new ATOM 0 HE2 PHE A 105 -7.107 6.600 8.200 1.00 63.21 H new ATOM 0 HZ PHE A 105 -6.190 8.678 7.251 1.00 74.43 H new ATOM 1634 N THR A 106 -0.305 2.691 8.431 1.00 31.04 N ATOM 1635 CA THR A 106 0.536 1.641 8.951 1.00 55.24 C ATOM 1636 C THR A 106 1.770 2.227 9.661 1.00 42.51 C ATOM 1637 O THR A 106 1.796 3.415 9.988 1.00 2.40 O ATOM 1638 CB THR A 106 0.972 0.700 7.813 1.00 13.11 C ATOM 1639 OG1 THR A 106 0.020 0.786 6.741 1.00 14.52 O ATOM 1640 CG2 THR A 106 1.029 -0.745 8.299 1.00 23.05 C ATOM 0 H THR A 106 0.099 3.210 7.652 1.00 31.04 H new ATOM 0 HA THR A 106 -0.038 1.072 9.682 1.00 55.24 H new ATOM 0 HB THR A 106 1.963 1.001 7.473 1.00 13.11 H new ATOM 0 HG1 THR A 106 0.492 0.765 5.882 1.00 14.52 H new ATOM 0 HG21 THR A 106 1.339 -1.393 7.479 1.00 23.05 H new ATOM 0 HG22 THR A 106 1.746 -0.826 9.116 1.00 23.05 H new ATOM 0 HG23 THR A 106 0.043 -1.050 8.649 1.00 23.05 H new ATOM 1648 N ASP A 107 2.779 1.387 9.874 1.00 55.25 N ATOM 1649 CA ASP A 107 3.993 1.752 10.610 1.00 53.25 C ATOM 1650 C ASP A 107 4.690 2.996 10.056 1.00 62.35 C ATOM 1651 O ASP A 107 4.771 4.024 10.733 1.00 74.30 O ATOM 1652 CB ASP A 107 4.979 0.577 10.620 1.00 2.42 C ATOM 1653 CG ASP A 107 4.454 -0.632 11.365 1.00 21.22 C ATOM 1654 OD1 ASP A 107 4.629 -0.697 12.596 1.00 25.33 O ATOM 1655 OD2 ASP A 107 3.866 -1.526 10.720 1.00 65.43 O ATOM 0 H ASP A 107 2.780 0.424 9.539 1.00 55.25 H new ATOM 0 HA ASP A 107 3.673 1.991 11.624 1.00 53.25 H new ATOM 0 HB2 ASP A 107 5.207 0.293 9.593 1.00 2.42 H new ATOM 0 HB3 ASP A 107 5.915 0.900 11.076 1.00 2.42 H new ATOM 1660 N SER A 108 5.191 2.904 8.833 1.00 4.23 N ATOM 1661 CA SER A 108 5.968 3.993 8.250 1.00 20.15 C ATOM 1662 C SER A 108 5.091 5.014 7.524 1.00 35.11 C ATOM 1663 O SER A 108 5.519 6.145 7.285 1.00 30.54 O ATOM 1664 CB SER A 108 7.035 3.435 7.297 1.00 15.51 C ATOM 1665 OG SER A 108 7.908 4.461 6.838 1.00 43.12 O ATOM 0 H SER A 108 5.076 2.092 8.226 1.00 4.23 H new ATOM 0 HA SER A 108 6.454 4.516 9.073 1.00 20.15 H new ATOM 0 HB2 SER A 108 7.613 2.664 7.807 1.00 15.51 H new ATOM 0 HB3 SER A 108 6.551 2.959 6.445 1.00 15.51 H new ATOM 0 HG SER A 108 7.814 5.251 7.410 1.00 43.12 H new ATOM 1671 N GLY A 109 3.881 4.632 7.182 1.00 23.21 N ATOM 1672 CA GLY A 109 3.021 5.543 6.472 1.00 63.42 C ATOM 1673 C GLY A 109 1.743 4.898 6.025 1.00 32.44 C ATOM 1674 O GLY A 109 1.341 3.866 6.561 1.00 15.44 O ATOM 0 H GLY A 109 3.479 3.716 7.380 1.00 23.21 H new ATOM 0 HA2 GLY A 109 2.790 6.393 7.113 1.00 63.42 H new ATOM 0 HA3 GLY A 109 3.550 5.934 5.603 1.00 63.42 H new ATOM 1678 N ILE A 110 1.117 5.485 5.033 1.00 4.45 N ATOM 1679 CA ILE A 110 -0.145 4.995 4.534 1.00 22.31 C ATOM 1680 C ILE A 110 0.070 4.049 3.358 1.00 35.40 C ATOM 1681 O ILE A 110 0.813 4.362 2.424 1.00 61.32 O ATOM 1682 CB ILE A 110 -1.051 6.160 4.087 1.00 2.23 C ATOM 1683 CG1 ILE A 110 -1.153 7.215 5.194 1.00 34.04 C ATOM 1684 CG2 ILE A 110 -2.432 5.640 3.720 1.00 71.42 C ATOM 1685 CD1 ILE A 110 -1.920 8.457 4.787 1.00 2.34 C ATOM 0 H ILE A 110 1.467 6.313 4.551 1.00 4.45 H new ATOM 0 HA ILE A 110 -0.631 4.456 5.347 1.00 22.31 H new ATOM 0 HB ILE A 110 -0.609 6.627 3.207 1.00 2.23 H new ATOM 0 HG12 ILE A 110 -1.636 6.770 6.064 1.00 34.04 H new ATOM 0 HG13 ILE A 110 -0.148 7.504 5.501 1.00 34.04 H new ATOM 0 HG21 ILE A 110 -3.062 6.472 3.406 1.00 71.42 H new ATOM 0 HG22 ILE A 110 -2.346 4.922 2.904 1.00 71.42 H new ATOM 0 HG23 ILE A 110 -2.879 5.153 4.586 1.00 71.42 H new ATOM 0 HD11 ILE A 110 -1.949 9.157 5.622 1.00 2.34 H new ATOM 0 HD12 ILE A 110 -1.426 8.927 3.937 1.00 2.34 H new ATOM 0 HD13 ILE A 110 -2.937 8.182 4.509 1.00 2.34 H new ATOM 1697 N HIS A 111 -0.562 2.893 3.417 1.00 31.31 N ATOM 1698 CA HIS A 111 -0.463 1.915 2.347 1.00 13.11 C ATOM 1699 C HIS A 111 -1.798 1.745 1.649 1.00 2.20 C ATOM 1700 O HIS A 111 -2.852 1.814 2.282 1.00 21.13 O ATOM 1701 CB HIS A 111 -0.011 0.543 2.873 1.00 12.21 C ATOM 1702 CG HIS A 111 1.422 0.458 3.307 1.00 44.53 C ATOM 1703 ND1 HIS A 111 2.001 0.723 4.496 1.00 15.24 N flip ATOM 1704 CD2 HIS A 111 2.436 -0.008 2.489 1.00 20.02 C flip ATOM 1705 CE1 HIS A 111 3.331 0.410 4.384 1.00 1.15 C flip ATOM 1706 NE2 HIS A 111 3.567 -0.030 3.166 1.00 65.12 N flip ATOM 0 H HIS A 111 -1.152 2.606 4.198 1.00 31.31 H new ATOM 0 HA HIS A 111 0.281 2.292 1.645 1.00 13.11 H new ATOM 0 HB2 HIS A 111 -0.645 0.270 3.717 1.00 12.21 H new ATOM 0 HB3 HIS A 111 -0.181 -0.200 2.093 1.00 12.21 H new ATOM 0 HD2 HIS A 111 2.319 -0.307 1.458 1.00 20.02 H new ATOM 0 HE1 HIS A 111 4.067 0.509 5.169 1.00 1.15 H new ATOM 0 HE2 HIS A 111 4.471 -0.336 2.807 1.00 65.12 H new ATOM 1715 N ILE A 112 -1.746 1.544 0.351 1.00 35.22 N ATOM 1716 CA ILE A 112 -2.932 1.232 -0.424 1.00 12.02 C ATOM 1717 C ILE A 112 -2.931 -0.262 -0.698 1.00 12.13 C ATOM 1718 O ILE A 112 -1.922 -0.806 -1.160 1.00 3.54 O ATOM 1719 CB ILE A 112 -2.965 2.000 -1.769 1.00 31.10 C ATOM 1720 CG1 ILE A 112 -2.835 3.507 -1.527 1.00 13.11 C ATOM 1721 CG2 ILE A 112 -4.255 1.692 -2.526 1.00 30.44 C ATOM 1722 CD1 ILE A 112 -2.806 4.334 -2.797 1.00 11.04 C ATOM 0 H ILE A 112 -0.887 1.591 -0.197 1.00 35.22 H new ATOM 0 HA ILE A 112 -3.812 1.533 0.144 1.00 12.02 H new ATOM 0 HB ILE A 112 -2.121 1.673 -2.376 1.00 31.10 H new ATOM 0 HG12 ILE A 112 -3.669 3.839 -0.908 1.00 13.11 H new ATOM 0 HG13 ILE A 112 -1.923 3.697 -0.961 1.00 13.11 H new ATOM 0 HG21 ILE A 112 -4.263 2.239 -3.469 1.00 30.44 H new ATOM 0 HG22 ILE A 112 -4.312 0.622 -2.727 1.00 30.44 H new ATOM 0 HG23 ILE A 112 -5.111 1.995 -1.924 1.00 30.44 H new ATOM 0 HD11 ILE A 112 -2.712 5.390 -2.542 1.00 11.04 H new ATOM 0 HD12 ILE A 112 -1.956 4.032 -3.409 1.00 11.04 H new ATOM 0 HD13 ILE A 112 -3.729 4.176 -3.355 1.00 11.04 H new ATOM 1734 N ILE A 113 -4.030 -0.928 -0.392 1.00 65.43 N ATOM 1735 CA ILE A 113 -4.102 -2.370 -0.547 1.00 61.32 C ATOM 1736 C ILE A 113 -5.055 -2.773 -1.659 1.00 42.13 C ATOM 1737 O ILE A 113 -6.267 -2.573 -1.558 1.00 42.21 O ATOM 1738 CB ILE A 113 -4.542 -3.057 0.764 1.00 51.54 C ATOM 1739 CG1 ILE A 113 -3.630 -2.635 1.915 1.00 1.40 C ATOM 1740 CG2 ILE A 113 -4.534 -4.575 0.602 1.00 64.33 C ATOM 1741 CD1 ILE A 113 -4.004 -3.245 3.244 1.00 70.44 C ATOM 0 H ILE A 113 -4.882 -0.495 -0.036 1.00 65.43 H new ATOM 0 HA ILE A 113 -3.096 -2.700 -0.808 1.00 61.32 H new ATOM 0 HB ILE A 113 -5.560 -2.743 0.996 1.00 51.54 H new ATOM 0 HG12 ILE A 113 -2.604 -2.913 1.674 1.00 1.40 H new ATOM 0 HG13 ILE A 113 -3.653 -1.549 2.005 1.00 1.40 H new ATOM 0 HG21 ILE A 113 -4.847 -5.042 1.536 1.00 64.33 H new ATOM 0 HG22 ILE A 113 -5.222 -4.860 -0.194 1.00 64.33 H new ATOM 0 HG23 ILE A 113 -3.528 -4.909 0.349 1.00 64.33 H new ATOM 0 HD11 ILE A 113 -3.311 -2.899 4.011 1.00 70.44 H new ATOM 0 HD12 ILE A 113 -5.018 -2.946 3.509 1.00 70.44 H new ATOM 0 HD13 ILE A 113 -3.953 -4.331 3.173 1.00 70.44 H new ATOM 1753 N LEU A 114 -4.497 -3.325 -2.715 1.00 60.43 N ATOM 1754 CA LEU A 114 -5.274 -3.838 -3.825 1.00 65.43 C ATOM 1755 C LEU A 114 -5.001 -5.328 -3.976 1.00 5.13 C ATOM 1756 O LEU A 114 -3.883 -5.732 -4.289 1.00 53.13 O ATOM 1757 CB LEU A 114 -4.915 -3.092 -5.119 1.00 25.11 C ATOM 1758 CG LEU A 114 -5.591 -3.599 -6.402 1.00 61.32 C ATOM 1759 CD1 LEU A 114 -7.103 -3.474 -6.309 1.00 3.21 C ATOM 1760 CD2 LEU A 114 -5.069 -2.838 -7.609 1.00 12.50 C ATOM 0 H LEU A 114 -3.489 -3.431 -2.829 1.00 60.43 H new ATOM 0 HA LEU A 114 -6.335 -3.683 -3.629 1.00 65.43 H new ATOM 0 HB2 LEU A 114 -5.169 -2.040 -4.990 1.00 25.11 H new ATOM 0 HB3 LEU A 114 -3.835 -3.144 -5.257 1.00 25.11 H new ATOM 0 HG LEU A 114 -5.347 -4.655 -6.520 1.00 61.32 H new ATOM 0 HD11 LEU A 114 -7.556 -3.840 -7.231 1.00 3.21 H new ATOM 0 HD12 LEU A 114 -7.466 -4.064 -5.467 1.00 3.21 H new ATOM 0 HD13 LEU A 114 -7.373 -2.428 -6.162 1.00 3.21 H new ATOM 0 HD21 LEU A 114 -5.557 -3.208 -8.511 1.00 12.50 H new ATOM 0 HD22 LEU A 114 -5.283 -1.776 -7.490 1.00 12.50 H new ATOM 0 HD23 LEU A 114 -3.992 -2.984 -7.693 1.00 12.50 H new ATOM 1772 N ARG A 115 -6.008 -6.143 -3.732 1.00 75.13 N ATOM 1773 CA ARG A 115 -5.843 -7.587 -3.816 1.00 24.55 C ATOM 1774 C ARG A 115 -6.252 -8.124 -5.165 1.00 11.33 C ATOM 1775 O ARG A 115 -7.377 -7.914 -5.614 1.00 71.54 O ATOM 1776 CB ARG A 115 -6.628 -8.299 -2.723 1.00 34.45 C ATOM 1777 CG ARG A 115 -5.919 -8.336 -1.390 1.00 53.50 C ATOM 1778 CD ARG A 115 -6.681 -9.176 -0.386 1.00 52.34 C ATOM 1779 NE ARG A 115 -7.001 -10.510 -0.906 1.00 51.20 N ATOM 1780 CZ ARG A 115 -7.860 -11.348 -0.330 1.00 20.23 C ATOM 1781 NH1 ARG A 115 -8.391 -11.050 0.851 1.00 51.45 N ATOM 1782 NH2 ARG A 115 -8.167 -12.493 -0.923 1.00 73.04 N ATOM 0 H ARG A 115 -6.946 -5.836 -3.475 1.00 75.13 H new ATOM 0 HA ARG A 115 -4.780 -7.786 -3.676 1.00 24.55 H new ATOM 0 HB2 ARG A 115 -7.591 -7.804 -2.598 1.00 34.45 H new ATOM 0 HB3 ARG A 115 -6.834 -9.320 -3.043 1.00 34.45 H new ATOM 0 HG2 ARG A 115 -4.916 -8.742 -1.520 1.00 53.50 H new ATOM 0 HG3 ARG A 115 -5.806 -7.322 -1.007 1.00 53.50 H new ATOM 0 HD2 ARG A 115 -6.090 -9.275 0.524 1.00 52.34 H new ATOM 0 HD3 ARG A 115 -7.604 -8.664 -0.113 1.00 52.34 H new ATOM 0 HE ARG A 115 -6.537 -10.814 -1.762 1.00 51.20 H new ATOM 0 HH11 ARG A 115 -8.141 -10.178 1.317 1.00 51.45 H new ATOM 0 HH12 ARG A 115 -9.049 -11.693 1.291 1.00 51.45 H new ATOM 0 HH21 ARG A 115 -7.745 -12.732 -1.820 1.00 73.04 H new ATOM 0 HH22 ARG A 115 -8.825 -13.135 -0.482 1.00 73.04 H new ATOM 1796 N THR A 116 -5.340 -8.825 -5.805 1.00 42.44 N ATOM 1797 CA THR A 116 -5.615 -9.438 -7.082 1.00 54.54 C ATOM 1798 C THR A 116 -6.140 -10.859 -6.890 1.00 33.12 C ATOM 1799 O THR A 116 -6.747 -11.432 -7.791 1.00 32.40 O ATOM 1800 CB THR A 116 -4.364 -9.454 -7.969 1.00 11.32 C ATOM 1801 OG1 THR A 116 -3.240 -9.856 -7.190 1.00 51.35 O ATOM 1802 CG2 THR A 116 -4.106 -8.077 -8.562 1.00 62.03 C ATOM 0 H THR A 116 -4.395 -8.984 -5.456 1.00 42.44 H new ATOM 0 HA THR A 116 -6.379 -8.842 -7.581 1.00 54.54 H new ATOM 0 HB THR A 116 -4.522 -10.158 -8.786 1.00 11.32 H new ATOM 0 HG1 THR A 116 -2.418 -9.517 -7.602 1.00 51.35 H new ATOM 0 HG21 THR A 116 -3.214 -8.112 -9.188 1.00 62.03 H new ATOM 0 HG22 THR A 116 -4.961 -7.775 -9.166 1.00 62.03 H new ATOM 0 HG23 THR A 116 -3.957 -7.357 -7.758 1.00 62.03 H new ATOM 1810 N GLU A 117 -5.898 -11.421 -5.707 1.00 72.45 N ATOM 1811 CA GLU A 117 -6.401 -12.737 -5.359 1.00 74.41 C ATOM 1812 C GLU A 117 -6.826 -12.756 -3.898 1.00 21.41 C ATOM 1813 O GLU A 117 -6.084 -12.213 -3.051 1.00 0.00 O ATOM 1814 CB GLU A 117 -5.378 -13.861 -5.658 1.00 31.42 C ATOM 1815 CG GLU A 117 -4.119 -13.839 -4.805 1.00 70.43 C ATOM 1816 CD GLU A 117 -3.241 -15.057 -5.029 1.00 1.00 C ATOM 1817 OE1 GLU A 117 -3.541 -16.124 -4.449 1.00 32.20 O ATOM 1818 OE2 GLU A 117 -2.251 -14.960 -5.791 1.00 61.13 O ATOM 1819 OXT GLU A 117 -7.906 -13.299 -3.603 1.00 0.00 O ATOM 0 H GLU A 117 -5.350 -10.975 -4.971 1.00 72.45 H new ATOM 0 HA GLU A 117 -7.269 -12.938 -5.988 1.00 74.41 H new ATOM 0 HB2 GLU A 117 -5.871 -14.824 -5.523 1.00 31.42 H new ATOM 0 HB3 GLU A 117 -5.088 -13.796 -6.707 1.00 31.42 H new ATOM 0 HG2 GLU A 117 -3.548 -12.938 -5.029 1.00 70.43 H new ATOM 0 HG3 GLU A 117 -4.398 -13.786 -3.753 1.00 70.43 H new