USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 873 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.989 X(o=-0.99,f=-0.78) USER MOD Set 2.1: A 13 HIS :FLIP no HE2:sc= 0.24 F(o=-1.7,f=0.41) USER MOD Set 2.2: A 69 SER OG : rot -57:sc= 0.174 USER MOD Set 3.1: A 18 HIS : no HE2:sc= -2.34! C(o=-3.1!,f=-11!) USER MOD Set 3.2: A 20 GLN : amide:sc= -0.816 K(o=-3.1,f=-11!) USER MOD Set 3.3: A 35 THR OG1 : rot 180:sc= 0.0806 USER MOD Set 4.1: A 12 SER OG : rot 70:sc= 0.114 USER MOD Set 4.2: A 116 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 11 CYS SG : rot -150:sc= -0.124 USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 2.28 (180deg=2.04) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 2:sc= 0.466 USER MOD Single : A 25 SER OG : rot 180:sc= 0.018 USER MOD Single : A 26 SER OG : rot 42:sc= 0.954 USER MOD Single : A 29 GLN : amide:sc= -0.896 K(o=-0.9,f=-3.3!) USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= -0.0314 (180deg=-0.235) USER MOD Single : A 33 THR OG1 : rot 38:sc= 0.217 USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= -0.0112 (180deg=-0.182) USER MOD Single : A 44 ASN : amide:sc=-0.00258 K(o=-0.0026,f=-1.1) USER MOD Single : A 46 TYR OH : rot -43:sc= 0.734 USER MOD Single : A 48 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 164:sc= -1.41 (180deg=-2.27!) USER MOD Single : A 52 SER OG : rot -87:sc= 1.14 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 80:sc= 0.739 USER MOD Single : A 63 GLN :FLIP amide:sc=-0.00329 F(o=-1.1,f=-0.0033) USER MOD Single : A 65 SER OG : rot 30:sc= 1.6 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0442 USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= -0.0545 (180deg=-0.34) USER MOD Single : A 80 SER OG : rot 43:sc= 1.07 USER MOD Single : A 83 GLN :FLIP amide:sc= 0.163 F(o=-1.9,f=0.16) USER MOD Single : A 84 MET CE :methyl 166:sc= -0.23 (180deg=-0.755) USER MOD Single : A 85 GLN : amide:sc= -0.387 K(o=-0.39,f=-3.7!) USER MOD Single : A 86 LYS NZ :NH3+ -161:sc= 1.07 (180deg=0.863) USER MOD Single : A 92 SER OG : rot -79:sc= 0.625 USER MOD Single : A 97 THR OG1 : rot -72:sc= 0.99 USER MOD Single : A 100 MET CE :methyl 167:sc= -1.23 (180deg=-1.67) USER MOD Single : A 101 SER OG : rot 160:sc= -0.121 USER MOD Single : A 108 SER OG : rot 64:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 6.769 19.115 0.503 1.00 50.31 N ATOM 72 CA PRO A 6 5.431 19.282 1.054 1.00 52.31 C ATOM 73 C PRO A 6 5.344 18.787 2.493 1.00 70.23 C ATOM 74 O PRO A 6 5.953 17.776 2.851 1.00 45.32 O ATOM 75 CB PRO A 6 4.542 18.414 0.143 1.00 44.14 C ATOM 76 CG PRO A 6 5.428 17.965 -0.975 1.00 4.13 C ATOM 77 CD PRO A 6 6.823 18.001 -0.445 1.00 54.14 C ATOM 0 HA PRO A 6 5.134 20.330 1.081 1.00 52.31 H new ATOM 0 HB2 PRO A 6 4.137 17.562 0.688 1.00 44.14 H new ATOM 0 HB3 PRO A 6 3.693 18.984 -0.234 1.00 44.14 H new ATOM 0 HG2 PRO A 6 5.162 16.960 -1.302 1.00 4.13 H new ATOM 0 HG3 PRO A 6 5.324 18.620 -1.840 1.00 4.13 H new ATOM 0 HD2 PRO A 6 7.097 17.065 0.042 1.00 54.14 H new ATOM 0 HD3 PRO A 6 7.554 18.175 -1.235 1.00 54.14 H new ATOM 85 N ALA A 7 4.595 19.502 3.313 1.00 75.04 N ATOM 86 CA ALA A 7 4.410 19.121 4.702 1.00 31.42 C ATOM 87 C ALA A 7 3.248 18.149 4.818 1.00 54.05 C ATOM 88 O ALA A 7 3.143 17.388 5.784 1.00 73.32 O ATOM 89 CB ALA A 7 4.169 20.351 5.564 1.00 63.31 C ATOM 0 H ALA A 7 4.103 20.353 3.040 1.00 75.04 H new ATOM 0 HA ALA A 7 5.316 18.630 5.059 1.00 31.42 H new ATOM 0 HB1 ALA A 7 4.032 20.047 6.602 1.00 63.31 H new ATOM 0 HB2 ALA A 7 5.027 21.020 5.492 1.00 63.31 H new ATOM 0 HB3 ALA A 7 3.275 20.869 5.217 1.00 63.31 H new ATOM 95 N ARG A 8 2.377 18.192 3.822 1.00 15.10 N ATOM 96 CA ARG A 8 1.224 17.317 3.749 1.00 63.42 C ATOM 97 C ARG A 8 1.101 16.755 2.343 1.00 55.04 C ATOM 98 O ARG A 8 1.202 17.499 1.361 1.00 34.21 O ATOM 99 CB ARG A 8 -0.061 18.077 4.109 1.00 43.12 C ATOM 100 CG ARG A 8 -0.107 18.603 5.533 1.00 74.02 C ATOM 101 CD ARG A 8 -1.374 19.401 5.779 1.00 13.34 C ATOM 102 NE ARG A 8 -1.463 19.888 7.157 1.00 53.33 N ATOM 103 CZ ARG A 8 -2.488 20.589 7.649 1.00 41.11 C ATOM 104 NH1 ARG A 8 -3.510 20.922 6.865 1.00 10.13 N ATOM 105 NH2 ARG A 8 -2.485 20.969 8.920 1.00 62.04 N ATOM 0 H ARG A 8 2.453 18.840 3.038 1.00 15.10 H new ATOM 0 HA ARG A 8 1.360 16.505 4.463 1.00 63.42 H new ATOM 0 HB2 ARG A 8 -0.176 18.915 3.422 1.00 43.12 H new ATOM 0 HB3 ARG A 8 -0.914 17.417 3.952 1.00 43.12 H new ATOM 0 HG2 ARG A 8 -0.056 17.770 6.234 1.00 74.02 H new ATOM 0 HG3 ARG A 8 0.764 19.231 5.721 1.00 74.02 H new ATOM 0 HD2 ARG A 8 -1.407 20.248 5.094 1.00 13.34 H new ATOM 0 HD3 ARG A 8 -2.242 18.779 5.559 1.00 13.34 H new ATOM 0 HE ARG A 8 -0.688 19.677 7.785 1.00 53.33 H new ATOM 0 HH11 ARG A 8 -3.513 20.642 5.884 1.00 10.13 H new ATOM 0 HH12 ARG A 8 -4.291 21.457 7.245 1.00 10.13 H new ATOM 0 HH21 ARG A 8 -1.699 20.726 9.523 1.00 62.04 H new ATOM 0 HH22 ARG A 8 -3.269 21.504 9.294 1.00 62.04 H new ATOM 119 N VAL A 9 0.907 15.455 2.242 1.00 41.12 N ATOM 120 CA VAL A 9 0.751 14.803 0.948 1.00 62.23 C ATOM 121 C VAL A 9 -0.443 13.864 0.966 1.00 11.53 C ATOM 122 O VAL A 9 -0.761 13.269 2.000 1.00 21.34 O ATOM 123 CB VAL A 9 2.018 14.003 0.532 1.00 4.41 C ATOM 124 CG1 VAL A 9 3.211 14.926 0.347 1.00 5.34 C ATOM 125 CG2 VAL A 9 2.338 12.913 1.548 1.00 32.21 C ATOM 0 H VAL A 9 0.853 14.824 3.041 1.00 41.12 H new ATOM 0 HA VAL A 9 0.594 15.596 0.217 1.00 62.23 H new ATOM 0 HB VAL A 9 1.806 13.524 -0.424 1.00 4.41 H new ATOM 0 HG11 VAL A 9 4.083 14.340 0.056 1.00 5.34 H new ATOM 0 HG12 VAL A 9 2.989 15.656 -0.431 1.00 5.34 H new ATOM 0 HG13 VAL A 9 3.418 15.445 1.283 1.00 5.34 H new ATOM 0 HG21 VAL A 9 3.228 12.370 1.231 1.00 32.21 H new ATOM 0 HG22 VAL A 9 2.517 13.366 2.523 1.00 32.21 H new ATOM 0 HG23 VAL A 9 1.498 12.222 1.617 1.00 32.21 H new ATOM 135 N ARG A 10 -1.112 13.743 -0.165 1.00 34.32 N ATOM 136 CA ARG A 10 -2.240 12.840 -0.280 1.00 63.24 C ATOM 137 C ARG A 10 -1.822 11.613 -1.050 1.00 1.32 C ATOM 138 O ARG A 10 -1.555 11.683 -2.254 1.00 41.34 O ATOM 139 CB ARG A 10 -3.431 13.510 -0.969 1.00 72.41 C ATOM 140 CG ARG A 10 -4.599 12.562 -1.215 1.00 13.11 C ATOM 141 CD ARG A 10 -5.718 13.233 -1.986 1.00 55.23 C ATOM 142 NE ARG A 10 -6.719 12.268 -2.441 1.00 13.34 N ATOM 143 CZ ARG A 10 -7.347 12.328 -3.616 1.00 74.10 C ATOM 144 NH1 ARG A 10 -7.144 13.353 -4.441 1.00 74.01 N ATOM 145 NH2 ARG A 10 -8.189 11.369 -3.955 1.00 71.23 N ATOM 0 H ARG A 10 -0.893 14.259 -1.017 1.00 34.32 H new ATOM 0 HA ARG A 10 -2.556 12.559 0.725 1.00 63.24 H new ATOM 0 HB2 ARG A 10 -3.773 14.345 -0.357 1.00 72.41 H new ATOM 0 HB3 ARG A 10 -3.103 13.926 -1.922 1.00 72.41 H new ATOM 0 HG2 ARG A 10 -4.249 11.690 -1.768 1.00 13.11 H new ATOM 0 HG3 ARG A 10 -4.981 12.201 -0.260 1.00 13.11 H new ATOM 0 HD2 ARG A 10 -6.196 13.982 -1.355 1.00 55.23 H new ATOM 0 HD3 ARG A 10 -5.303 13.759 -2.846 1.00 55.23 H new ATOM 0 HE ARG A 10 -6.953 11.496 -1.817 1.00 13.34 H new ATOM 0 HH11 ARG A 10 -6.503 14.101 -4.177 1.00 74.01 H new ATOM 0 HH12 ARG A 10 -7.629 13.390 -5.338 1.00 74.01 H new ATOM 0 HH21 ARG A 10 -8.356 10.589 -3.320 1.00 71.23 H new ATOM 0 HH22 ARG A 10 -8.673 11.409 -4.852 1.00 71.23 H new ATOM 159 N CYS A 11 -1.759 10.498 -0.371 1.00 11.52 N ATOM 160 CA CYS A 11 -1.332 9.273 -0.996 1.00 11.20 C ATOM 161 C CYS A 11 -2.365 8.178 -0.826 1.00 3.44 C ATOM 162 O CYS A 11 -3.136 8.170 0.136 1.00 34.35 O ATOM 163 CB CYS A 11 0.006 8.822 -0.411 1.00 42.01 C ATOM 164 SG CYS A 11 1.322 10.057 -0.527 1.00 51.45 S ATOM 0 H CYS A 11 -1.998 10.412 0.617 1.00 11.52 H new ATOM 0 HA CYS A 11 -1.214 9.465 -2.062 1.00 11.20 H new ATOM 0 HB2 CYS A 11 -0.139 8.560 0.637 1.00 42.01 H new ATOM 0 HB3 CYS A 11 0.327 7.916 -0.925 1.00 42.01 H new ATOM 0 HG CYS A 11 2.472 9.458 -0.622 1.00 51.45 H new ATOM 170 N SER A 12 -2.392 7.278 -1.774 1.00 14.00 N ATOM 171 CA SER A 12 -3.237 6.122 -1.709 1.00 63.30 C ATOM 172 C SER A 12 -2.407 4.959 -1.177 1.00 21.31 C ATOM 173 O SER A 12 -1.193 4.911 -1.401 1.00 4.23 O ATOM 174 CB SER A 12 -3.791 5.804 -3.097 1.00 73.43 C ATOM 175 OG SER A 12 -4.434 6.941 -3.657 1.00 3.10 O ATOM 0 H SER A 12 -1.822 7.330 -2.618 1.00 14.00 H new ATOM 0 HA SER A 12 -4.083 6.302 -1.046 1.00 63.30 H new ATOM 0 HB2 SER A 12 -2.981 5.480 -3.751 1.00 73.43 H new ATOM 0 HB3 SER A 12 -4.498 4.977 -3.031 1.00 73.43 H new ATOM 0 HG SER A 12 -3.763 7.621 -3.876 1.00 3.10 H new ATOM 181 N HIS A 13 -3.035 4.042 -0.473 1.00 51.41 N ATOM 182 CA HIS A 13 -2.305 2.946 0.140 1.00 53.50 C ATOM 183 C HIS A 13 -2.986 1.610 -0.085 1.00 10.33 C ATOM 184 O HIS A 13 -4.210 1.503 -0.026 1.00 11.10 O ATOM 185 CB HIS A 13 -2.087 3.197 1.650 1.00 71.32 C ATOM 186 CG HIS A 13 -3.346 3.233 2.490 1.00 35.12 C ATOM 187 ND1 HIS A 13 -4.569 3.768 2.247 1.00 73.03 N flip ATOM 188 CD2 HIS A 13 -3.414 2.707 3.760 1.00 22.43 C flip ATOM 189 CE1 HIS A 13 -5.336 3.554 3.361 1.00 40.33 C flip ATOM 190 NE2 HIS A 13 -4.619 2.913 4.258 1.00 44.54 N flip ATOM 0 H HIS A 13 -4.042 4.030 -0.310 1.00 51.41 H new ATOM 0 HA HIS A 13 -1.331 2.903 -0.348 1.00 53.50 H new ATOM 0 HB2 HIS A 13 -1.432 2.418 2.040 1.00 71.32 H new ATOM 0 HB3 HIS A 13 -1.562 4.144 1.772 1.00 71.32 H new ATOM 0 HD1 HIS A 13 -4.863 4.242 1.393 1.00 73.03 H new ATOM 0 HD2 HIS A 13 -2.606 2.203 4.270 1.00 22.43 H new ATOM 0 HE1 HIS A 13 -6.364 3.862 3.483 1.00 40.33 H new ATOM 199 N LEU A 14 -2.181 0.607 -0.357 1.00 75.54 N ATOM 200 CA LEU A 14 -2.655 -0.745 -0.545 1.00 3.13 C ATOM 201 C LEU A 14 -1.930 -1.644 0.441 1.00 13.54 C ATOM 202 O LEU A 14 -0.699 -1.691 0.454 1.00 41.23 O ATOM 203 CB LEU A 14 -2.389 -1.196 -2.002 1.00 42.42 C ATOM 204 CG LEU A 14 -3.071 -2.496 -2.475 1.00 12.32 C ATOM 205 CD1 LEU A 14 -3.070 -2.566 -3.993 1.00 70.21 C ATOM 206 CD2 LEU A 14 -2.380 -3.729 -1.902 1.00 3.02 C ATOM 0 H LEU A 14 -1.171 0.708 -0.455 1.00 75.54 H new ATOM 0 HA LEU A 14 -3.729 -0.803 -0.367 1.00 3.13 H new ATOM 0 HB2 LEU A 14 -2.700 -0.390 -2.667 1.00 42.42 H new ATOM 0 HB3 LEU A 14 -1.313 -1.315 -2.127 1.00 42.42 H new ATOM 0 HG LEU A 14 -4.099 -2.483 -2.112 1.00 12.32 H new ATOM 0 HD11 LEU A 14 -3.554 -3.488 -4.315 1.00 70.21 H new ATOM 0 HD12 LEU A 14 -3.612 -1.711 -4.397 1.00 70.21 H new ATOM 0 HD13 LEU A 14 -2.043 -2.549 -4.357 1.00 70.21 H new ATOM 0 HD21 LEU A 14 -2.886 -4.627 -2.256 1.00 3.02 H new ATOM 0 HD22 LEU A 14 -1.340 -3.747 -2.227 1.00 3.02 H new ATOM 0 HD23 LEU A 14 -2.419 -3.695 -0.813 1.00 3.02 H new ATOM 218 N LEU A 15 -2.677 -2.331 1.280 1.00 52.33 N ATOM 219 CA LEU A 15 -2.074 -3.210 2.260 1.00 23.44 C ATOM 220 C LEU A 15 -2.520 -4.646 2.066 1.00 2.44 C ATOM 221 O LEU A 15 -3.713 -4.958 2.109 1.00 34.01 O ATOM 222 CB LEU A 15 -2.385 -2.742 3.688 1.00 63.32 C ATOM 223 CG LEU A 15 -1.915 -3.678 4.816 1.00 31.34 C ATOM 224 CD1 LEU A 15 -0.411 -3.905 4.748 1.00 12.23 C ATOM 225 CD2 LEU A 15 -2.306 -3.118 6.172 1.00 31.12 C ATOM 0 H LEU A 15 -3.696 -2.298 1.304 1.00 52.33 H new ATOM 0 HA LEU A 15 -0.995 -3.168 2.111 1.00 23.44 H new ATOM 0 HB2 LEU A 15 -1.927 -1.764 3.838 1.00 63.32 H new ATOM 0 HB3 LEU A 15 -3.463 -2.606 3.779 1.00 63.32 H new ATOM 0 HG LEU A 15 -2.409 -4.640 4.682 1.00 31.34 H new ATOM 0 HD11 LEU A 15 -0.106 -4.570 5.556 1.00 12.23 H new ATOM 0 HD12 LEU A 15 -0.154 -4.357 3.790 1.00 12.23 H new ATOM 0 HD13 LEU A 15 0.106 -2.951 4.849 1.00 12.23 H new ATOM 0 HD21 LEU A 15 -1.965 -3.794 6.957 1.00 31.12 H new ATOM 0 HD22 LEU A 15 -1.844 -2.140 6.309 1.00 31.12 H new ATOM 0 HD23 LEU A 15 -3.390 -3.018 6.225 1.00 31.12 H new ATOM 237 N VAL A 16 -1.561 -5.502 1.834 1.00 43.03 N ATOM 238 CA VAL A 16 -1.807 -6.913 1.684 1.00 22.31 C ATOM 239 C VAL A 16 -0.844 -7.676 2.587 1.00 40.35 C ATOM 240 O VAL A 16 0.372 -7.450 2.554 1.00 61.12 O ATOM 241 CB VAL A 16 -1.658 -7.363 0.200 1.00 53.34 C ATOM 242 CG1 VAL A 16 -0.293 -6.998 -0.352 1.00 11.22 C ATOM 243 CG2 VAL A 16 -1.920 -8.850 0.046 1.00 51.13 C ATOM 0 H VAL A 16 -0.580 -5.239 1.743 1.00 43.03 H new ATOM 0 HA VAL A 16 -2.834 -7.131 1.977 1.00 22.31 H new ATOM 0 HB VAL A 16 -2.410 -6.827 -0.380 1.00 53.34 H new ATOM 0 HG11 VAL A 16 -0.221 -7.325 -1.389 1.00 11.22 H new ATOM 0 HG12 VAL A 16 -0.157 -5.918 -0.302 1.00 11.22 H new ATOM 0 HG13 VAL A 16 0.481 -7.488 0.238 1.00 11.22 H new ATOM 0 HG21 VAL A 16 -1.808 -9.133 -1.001 1.00 51.13 H new ATOM 0 HG22 VAL A 16 -1.207 -9.410 0.651 1.00 51.13 H new ATOM 0 HG23 VAL A 16 -2.933 -9.077 0.377 1.00 51.13 H new ATOM 253 N LYS A 17 -1.372 -8.539 3.423 1.00 73.43 N ATOM 254 CA LYS A 17 -0.536 -9.257 4.359 1.00 20.00 C ATOM 255 C LYS A 17 -0.306 -10.696 3.912 1.00 54.45 C ATOM 256 O LYS A 17 -0.611 -11.064 2.779 1.00 64.44 O ATOM 257 CB LYS A 17 -1.130 -9.207 5.775 1.00 71.24 C ATOM 258 CG LYS A 17 -2.435 -9.963 5.930 1.00 41.41 C ATOM 259 CD LYS A 17 -2.967 -9.875 7.351 1.00 33.42 C ATOM 260 CE LYS A 17 -3.544 -8.499 7.660 1.00 22.13 C ATOM 261 NZ LYS A 17 -4.767 -8.225 6.865 1.00 2.21 N ATOM 0 H LYS A 17 -2.366 -8.760 3.475 1.00 73.43 H new ATOM 0 HA LYS A 17 0.435 -8.762 4.382 1.00 20.00 H new ATOM 0 HB2 LYS A 17 -0.402 -9.614 6.477 1.00 71.24 H new ATOM 0 HB3 LYS A 17 -1.292 -8.165 6.052 1.00 71.24 H new ATOM 0 HG2 LYS A 17 -3.174 -9.559 5.238 1.00 41.41 H new ATOM 0 HG3 LYS A 17 -2.285 -11.009 5.661 1.00 41.41 H new ATOM 0 HD2 LYS A 17 -3.737 -10.632 7.497 1.00 33.42 H new ATOM 0 HD3 LYS A 17 -2.164 -10.097 8.053 1.00 33.42 H new ATOM 0 HE2 LYS A 17 -3.778 -8.433 8.722 1.00 22.13 H new ATOM 0 HE3 LYS A 17 -2.795 -7.735 7.451 1.00 22.13 H new ATOM 0 HZ1 LYS A 17 -5.207 -7.343 7.197 1.00 2.21 H new ATOM 0 HZ2 LYS A 17 -4.514 -8.129 5.861 1.00 2.21 H new ATOM 0 HZ3 LYS A 17 -5.439 -9.011 6.979 1.00 2.21 H new ATOM 275 N HIS A 18 0.248 -11.496 4.799 1.00 40.02 N ATOM 276 CA HIS A 18 0.540 -12.883 4.503 1.00 50.02 C ATOM 277 C HIS A 18 0.394 -13.725 5.757 1.00 50.24 C ATOM 278 O HIS A 18 0.110 -13.193 6.825 1.00 64.12 O ATOM 279 CB HIS A 18 1.947 -13.043 3.867 1.00 74.31 C ATOM 280 CG HIS A 18 3.090 -12.423 4.634 1.00 61.33 C ATOM 281 ND1 HIS A 18 4.223 -13.120 4.988 1.00 42.13 N ATOM 282 CD2 HIS A 18 3.292 -11.153 5.062 1.00 24.45 C ATOM 283 CE1 HIS A 18 5.068 -12.306 5.596 1.00 53.03 C ATOM 284 NE2 HIS A 18 4.526 -11.112 5.652 1.00 52.31 N ATOM 0 H HIS A 18 0.508 -11.205 5.741 1.00 40.02 H new ATOM 0 HA HIS A 18 -0.181 -13.238 3.767 1.00 50.02 H new ATOM 0 HB2 HIS A 18 2.151 -14.107 3.745 1.00 74.31 H new ATOM 0 HB3 HIS A 18 1.925 -12.606 2.869 1.00 74.31 H new ATOM 0 HD1 HIS A 18 4.385 -14.111 4.809 1.00 42.13 H new ATOM 0 HD2 HIS A 18 2.606 -10.326 4.957 1.00 24.45 H new ATOM 0 HE1 HIS A 18 6.040 -12.577 5.981 1.00 53.03 H new ATOM 293 N SER A 19 0.583 -15.032 5.624 1.00 51.42 N ATOM 294 CA SER A 19 0.432 -15.947 6.747 1.00 61.14 C ATOM 295 C SER A 19 1.400 -15.587 7.874 1.00 33.32 C ATOM 296 O SER A 19 1.064 -15.682 9.055 1.00 5.12 O ATOM 297 CB SER A 19 0.655 -17.392 6.288 1.00 65.22 C ATOM 298 OG SER A 19 0.287 -18.314 7.299 1.00 30.10 O ATOM 0 H SER A 19 0.842 -15.483 4.746 1.00 51.42 H new ATOM 0 HA SER A 19 -0.584 -15.856 7.131 1.00 61.14 H new ATOM 0 HB2 SER A 19 0.072 -17.584 5.387 1.00 65.22 H new ATOM 0 HB3 SER A 19 1.703 -17.535 6.026 1.00 65.22 H new ATOM 0 HG SER A 19 0.438 -19.228 6.979 1.00 30.10 H new ATOM 304 N GLN A 20 2.595 -15.162 7.502 1.00 33.14 N ATOM 305 CA GLN A 20 3.598 -14.761 8.469 1.00 21.10 C ATOM 306 C GLN A 20 3.305 -13.348 8.963 1.00 53.44 C ATOM 307 O GLN A 20 3.933 -12.380 8.531 1.00 14.02 O ATOM 308 CB GLN A 20 5.018 -14.833 7.873 1.00 12.04 C ATOM 309 CG GLN A 20 5.434 -16.210 7.355 1.00 61.20 C ATOM 310 CD GLN A 20 4.677 -16.637 6.109 1.00 1.03 C ATOM 311 OE1 GLN A 20 4.256 -15.799 5.301 1.00 63.25 O ATOM 312 NE2 GLN A 20 4.498 -17.927 5.945 1.00 33.12 N ATOM 0 H GLN A 20 2.894 -15.086 6.530 1.00 33.14 H new ATOM 0 HA GLN A 20 3.555 -15.455 9.309 1.00 21.10 H new ATOM 0 HB2 GLN A 20 5.088 -14.117 7.054 1.00 12.04 H new ATOM 0 HB3 GLN A 20 5.731 -14.517 8.634 1.00 12.04 H new ATOM 0 HG2 GLN A 20 6.502 -16.201 7.138 1.00 61.20 H new ATOM 0 HG3 GLN A 20 5.274 -16.949 8.140 1.00 61.20 H new ATOM 0 HE21 GLN A 20 4.861 -18.584 6.635 1.00 33.12 H new ATOM 0 HE22 GLN A 20 3.995 -18.272 5.127 1.00 33.12 H new ATOM 321 N SER A 21 2.312 -13.239 9.814 1.00 23.53 N ATOM 322 CA SER A 21 1.911 -11.976 10.391 1.00 21.31 C ATOM 323 C SER A 21 1.235 -12.223 11.729 1.00 31.12 C ATOM 324 O SER A 21 0.804 -13.345 12.011 1.00 62.43 O ATOM 325 CB SER A 21 0.973 -11.218 9.438 1.00 21.13 C ATOM 326 OG SER A 21 1.649 -10.873 8.232 1.00 73.30 O ATOM 0 H SER A 21 1.754 -14.032 10.129 1.00 23.53 H new ATOM 0 HA SER A 21 2.795 -11.358 10.549 1.00 21.31 H new ATOM 0 HB2 SER A 21 0.104 -11.834 9.209 1.00 21.13 H new ATOM 0 HB3 SER A 21 0.604 -10.315 9.925 1.00 21.13 H new ATOM 0 HG SER A 21 2.563 -11.226 8.257 1.00 73.30 H new ATOM 332 N ARG A 22 1.150 -11.191 12.550 1.00 13.33 N ATOM 333 CA ARG A 22 0.561 -11.318 13.877 1.00 3.44 C ATOM 334 C ARG A 22 -0.940 -11.567 13.790 1.00 74.32 C ATOM 335 O ARG A 22 -1.507 -12.282 14.613 1.00 65.23 O ATOM 336 CB ARG A 22 0.855 -10.072 14.713 1.00 42.52 C ATOM 337 CG ARG A 22 2.340 -9.835 14.948 1.00 43.41 C ATOM 338 CD ARG A 22 2.589 -8.564 15.744 1.00 23.42 C ATOM 339 NE ARG A 22 1.974 -8.610 17.070 1.00 22.42 N ATOM 340 CZ ARG A 22 2.322 -7.820 18.088 1.00 53.03 C ATOM 341 NH1 ARG A 22 3.283 -6.913 17.932 1.00 62.03 N ATOM 342 NH2 ARG A 22 1.706 -7.933 19.258 1.00 44.23 N ATOM 0 H ARG A 22 1.481 -10.253 12.323 1.00 13.33 H new ATOM 0 HA ARG A 22 1.014 -12.179 14.368 1.00 3.44 H new ATOM 0 HB2 ARG A 22 0.431 -9.201 14.214 1.00 42.52 H new ATOM 0 HB3 ARG A 22 0.353 -10.164 15.676 1.00 42.52 H new ATOM 0 HG2 ARG A 22 2.764 -10.686 15.480 1.00 43.41 H new ATOM 0 HG3 ARG A 22 2.854 -9.770 13.989 1.00 43.41 H new ATOM 0 HD2 ARG A 22 3.663 -8.408 15.849 1.00 23.42 H new ATOM 0 HD3 ARG A 22 2.196 -7.710 15.193 1.00 23.42 H new ATOM 0 HE ARG A 22 1.230 -9.290 17.227 1.00 22.42 H new ATOM 0 HH11 ARG A 22 3.756 -6.820 17.033 1.00 62.03 H new ATOM 0 HH12 ARG A 22 3.547 -6.310 18.712 1.00 62.03 H new ATOM 0 HH21 ARG A 22 0.966 -8.624 19.380 1.00 44.23 H new ATOM 0 HH22 ARG A 22 1.973 -7.329 20.035 1.00 44.23 H new ATOM 356 N ARG A 23 -1.573 -10.979 12.792 1.00 2.41 N ATOM 357 CA ARG A 23 -2.997 -11.160 12.568 1.00 44.13 C ATOM 358 C ARG A 23 -3.276 -11.368 11.083 1.00 2.12 C ATOM 359 O ARG A 23 -3.464 -10.407 10.344 1.00 51.53 O ATOM 360 CB ARG A 23 -3.791 -9.952 13.085 1.00 5.11 C ATOM 361 CG ARG A 23 -3.762 -9.788 14.596 1.00 31.14 C ATOM 362 CD ARG A 23 -4.480 -8.521 15.028 1.00 64.54 C ATOM 363 NE ARG A 23 -3.792 -7.316 14.555 1.00 71.13 N ATOM 364 CZ ARG A 23 -4.336 -6.099 14.516 1.00 34.13 C ATOM 365 NH1 ARG A 23 -5.592 -5.915 14.901 1.00 14.14 N ATOM 366 NH2 ARG A 23 -3.618 -5.064 14.090 1.00 62.13 N ATOM 0 H ARG A 23 -1.118 -10.365 12.116 1.00 2.41 H new ATOM 0 HA ARG A 23 -3.317 -12.045 13.119 1.00 44.13 H new ATOM 0 HB2 ARG A 23 -3.395 -9.047 12.625 1.00 5.11 H new ATOM 0 HB3 ARG A 23 -4.827 -10.047 12.761 1.00 5.11 H new ATOM 0 HG2 ARG A 23 -4.230 -10.652 15.067 1.00 31.14 H new ATOM 0 HG3 ARG A 23 -2.728 -9.758 14.941 1.00 31.14 H new ATOM 0 HD2 ARG A 23 -5.500 -8.532 14.643 1.00 64.54 H new ATOM 0 HD3 ARG A 23 -4.550 -8.496 16.115 1.00 64.54 H new ATOM 0 HE ARG A 23 -2.829 -7.415 14.233 1.00 71.13 H new ATOM 0 HH11 ARG A 23 -6.146 -6.706 15.229 1.00 14.14 H new ATOM 0 HH12 ARG A 23 -6.004 -4.982 14.869 1.00 14.14 H new ATOM 0 HH21 ARG A 23 -2.652 -5.201 13.793 1.00 62.13 H new ATOM 0 HH22 ARG A 23 -4.033 -4.133 14.060 1.00 62.13 H new ATOM 380 N PRO A 24 -3.287 -12.634 10.622 1.00 21.35 N ATOM 381 CA PRO A 24 -3.539 -12.970 9.212 1.00 32.33 C ATOM 382 C PRO A 24 -5.031 -12.899 8.854 1.00 24.54 C ATOM 383 O PRO A 24 -5.577 -13.801 8.206 1.00 43.21 O ATOM 384 CB PRO A 24 -3.030 -14.410 9.112 1.00 53.12 C ATOM 385 CG PRO A 24 -3.241 -14.977 10.474 1.00 54.11 C ATOM 386 CD PRO A 24 -3.045 -13.840 11.443 1.00 33.14 C ATOM 0 HA PRO A 24 -3.053 -12.277 8.525 1.00 32.33 H new ATOM 0 HB2 PRO A 24 -3.580 -14.974 8.358 1.00 53.12 H new ATOM 0 HB3 PRO A 24 -1.978 -14.440 8.828 1.00 53.12 H new ATOM 0 HG2 PRO A 24 -4.241 -15.399 10.568 1.00 54.11 H new ATOM 0 HG3 PRO A 24 -2.535 -15.783 10.673 1.00 54.11 H new ATOM 0 HD2 PRO A 24 -3.742 -13.902 12.279 1.00 33.14 H new ATOM 0 HD3 PRO A 24 -2.040 -13.842 11.865 1.00 33.14 H new ATOM 394 N SER A 25 -5.670 -11.819 9.260 1.00 74.10 N ATOM 395 CA SER A 25 -7.081 -11.611 9.021 1.00 61.44 C ATOM 396 C SER A 25 -7.328 -11.045 7.621 1.00 20.43 C ATOM 397 O SER A 25 -6.444 -10.419 7.026 1.00 61.30 O ATOM 398 CB SER A 25 -7.631 -10.658 10.077 1.00 40.11 C ATOM 399 OG SER A 25 -6.837 -9.481 10.151 1.00 55.11 O ATOM 0 H SER A 25 -5.220 -11.058 9.768 1.00 74.10 H new ATOM 0 HA SER A 25 -7.593 -12.571 9.086 1.00 61.44 H new ATOM 0 HB2 SER A 25 -8.661 -10.394 9.835 1.00 40.11 H new ATOM 0 HB3 SER A 25 -7.648 -11.153 11.048 1.00 40.11 H new ATOM 0 HG SER A 25 -7.205 -8.880 10.832 1.00 55.11 H new ATOM 405 N SER A 26 -8.524 -11.265 7.107 1.00 21.41 N ATOM 406 CA SER A 26 -8.901 -10.783 5.795 1.00 72.04 C ATOM 407 C SER A 26 -10.392 -10.492 5.749 1.00 73.10 C ATOM 408 O SER A 26 -11.174 -11.091 6.491 1.00 1.20 O ATOM 409 CB SER A 26 -8.548 -11.828 4.725 1.00 23.32 C ATOM 410 OG SER A 26 -9.046 -11.452 3.440 1.00 42.40 O ATOM 0 H SER A 26 -9.259 -11.783 7.588 1.00 21.41 H new ATOM 0 HA SER A 26 -8.351 -9.863 5.594 1.00 72.04 H new ATOM 0 HB2 SER A 26 -7.466 -11.948 4.676 1.00 23.32 H new ATOM 0 HB3 SER A 26 -8.964 -12.795 5.009 1.00 23.32 H new ATOM 0 HG SER A 26 -8.897 -10.494 3.299 1.00 42.40 H new ATOM 415 N TRP A 27 -10.782 -9.561 4.894 1.00 32.31 N ATOM 416 CA TRP A 27 -12.187 -9.258 4.693 1.00 72.31 C ATOM 417 C TRP A 27 -12.680 -10.024 3.475 1.00 12.23 C ATOM 418 O TRP A 27 -13.874 -10.032 3.156 1.00 12.12 O ATOM 419 CB TRP A 27 -12.407 -7.740 4.501 1.00 13.01 C ATOM 420 CG TRP A 27 -11.872 -7.190 3.200 1.00 71.51 C ATOM 421 CD1 TRP A 27 -10.585 -6.834 2.922 1.00 32.54 C ATOM 422 CD2 TRP A 27 -12.624 -6.917 2.005 1.00 71.32 C ATOM 423 NE1 TRP A 27 -10.490 -6.372 1.636 1.00 70.53 N ATOM 424 CE2 TRP A 27 -11.723 -6.411 1.053 1.00 31.42 C ATOM 425 CE3 TRP A 27 -13.965 -7.056 1.652 1.00 31.34 C ATOM 426 CZ2 TRP A 27 -12.120 -6.044 -0.230 1.00 20.02 C ATOM 427 CZ3 TRP A 27 -14.360 -6.692 0.378 1.00 64.31 C ATOM 428 CH2 TRP A 27 -13.440 -6.192 -0.549 1.00 74.12 C ATOM 0 H TRP A 27 -10.144 -9.002 4.328 1.00 32.31 H new ATOM 0 HA TRP A 27 -12.750 -9.561 5.576 1.00 72.31 H new ATOM 0 HB2 TRP A 27 -13.475 -7.530 4.558 1.00 13.01 H new ATOM 0 HB3 TRP A 27 -11.934 -7.210 5.327 1.00 13.01 H new ATOM 0 HD1 TRP A 27 -9.760 -6.906 3.615 1.00 32.54 H new ATOM 0 HE1 TRP A 27 -9.633 -6.050 1.186 1.00 70.53 H new ATOM 0 HE3 TRP A 27 -14.683 -7.441 2.361 1.00 31.34 H new ATOM 0 HZ2 TRP A 27 -11.411 -5.657 -0.946 1.00 20.02 H new ATOM 0 HZ3 TRP A 27 -15.397 -6.796 0.094 1.00 64.31 H new ATOM 0 HH2 TRP A 27 -13.780 -5.917 -1.537 1.00 74.12 H new ATOM 439 N ARG A 28 -11.738 -10.681 2.810 1.00 73.32 N ATOM 440 CA ARG A 28 -12.016 -11.425 1.601 1.00 52.15 C ATOM 441 C ARG A 28 -12.203 -12.895 1.916 1.00 61.14 C ATOM 442 O ARG A 28 -13.252 -13.475 1.641 1.00 15.02 O ATOM 443 CB ARG A 28 -10.855 -11.279 0.620 1.00 63.00 C ATOM 444 CG ARG A 28 -10.377 -9.856 0.423 1.00 15.14 C ATOM 445 CD ARG A 28 -9.151 -9.817 -0.465 1.00 63.10 C ATOM 446 NE ARG A 28 -9.445 -10.285 -1.821 1.00 31.42 N ATOM 447 CZ ARG A 28 -8.531 -10.757 -2.671 1.00 14.14 C ATOM 448 NH1 ARG A 28 -7.253 -10.822 -2.311 1.00 34.34 N ATOM 449 NH2 ARG A 28 -8.894 -11.146 -3.889 1.00 44.41 N ATOM 0 H ARG A 28 -10.760 -10.709 3.099 1.00 73.32 H new ATOM 0 HA ARG A 28 -12.930 -11.028 1.159 1.00 52.15 H new ATOM 0 HB2 ARG A 28 -10.020 -11.884 0.972 1.00 63.00 H new ATOM 0 HB3 ARG A 28 -11.158 -11.684 -0.345 1.00 63.00 H new ATOM 0 HG2 ARG A 28 -11.173 -9.259 -0.022 1.00 15.14 H new ATOM 0 HG3 ARG A 28 -10.146 -9.409 1.390 1.00 15.14 H new ATOM 0 HD2 ARG A 28 -8.766 -8.798 -0.508 1.00 63.10 H new ATOM 0 HD3 ARG A 28 -8.367 -10.436 -0.029 1.00 63.10 H new ATOM 0 HE ARG A 28 -10.414 -10.248 -2.137 1.00 31.42 H new ATOM 0 HH11 ARG A 28 -6.968 -10.511 -1.382 1.00 34.34 H new ATOM 0 HH12 ARG A 28 -6.557 -11.183 -2.963 1.00 34.34 H new ATOM 0 HH21 ARG A 28 -9.871 -11.084 -4.174 1.00 44.41 H new ATOM 0 HH22 ARG A 28 -8.195 -11.507 -4.539 1.00 44.41 H new ATOM 463 N GLN A 29 -11.185 -13.496 2.505 1.00 20.12 N ATOM 464 CA GLN A 29 -11.216 -14.919 2.800 1.00 74.24 C ATOM 465 C GLN A 29 -10.878 -15.187 4.257 1.00 73.50 C ATOM 466 O GLN A 29 -10.657 -14.259 5.041 1.00 13.25 O ATOM 467 CB GLN A 29 -10.225 -15.665 1.900 1.00 43.14 C ATOM 468 CG GLN A 29 -8.766 -15.283 2.136 1.00 21.30 C ATOM 469 CD GLN A 29 -7.796 -16.113 1.315 1.00 53.31 C ATOM 470 OE1 GLN A 29 -6.673 -16.379 1.741 1.00 21.41 O ATOM 471 NE2 GLN A 29 -8.212 -16.516 0.130 1.00 74.21 N ATOM 0 H GLN A 29 -10.327 -13.023 2.789 1.00 20.12 H new ATOM 0 HA GLN A 29 -12.227 -15.278 2.608 1.00 74.24 H new ATOM 0 HB2 GLN A 29 -10.340 -16.737 2.060 1.00 43.14 H new ATOM 0 HB3 GLN A 29 -10.478 -15.469 0.858 1.00 43.14 H new ATOM 0 HG2 GLN A 29 -8.628 -14.229 1.895 1.00 21.30 H new ATOM 0 HG3 GLN A 29 -8.532 -15.401 3.194 1.00 21.30 H new ATOM 0 HE21 GLN A 29 -9.150 -16.276 -0.190 1.00 74.21 H new ATOM 0 HE22 GLN A 29 -7.595 -17.068 -0.467 1.00 74.21 H new ATOM 480 N GLU A 30 -10.865 -16.455 4.615 1.00 23.03 N ATOM 481 CA GLU A 30 -10.493 -16.882 5.945 1.00 3.12 C ATOM 482 C GLU A 30 -9.090 -17.457 5.898 1.00 73.35 C ATOM 483 O GLU A 30 -8.701 -18.030 4.882 1.00 40.00 O ATOM 484 CB GLU A 30 -11.466 -17.935 6.456 1.00 13.14 C ATOM 485 CG GLU A 30 -12.907 -17.465 6.520 1.00 72.11 C ATOM 486 CD GLU A 30 -13.853 -18.578 6.900 1.00 31.23 C ATOM 487 OE1 GLU A 30 -13.950 -18.898 8.097 1.00 74.13 O ATOM 488 OE2 GLU A 30 -14.513 -19.140 5.998 1.00 35.04 O ATOM 0 H GLU A 30 -11.113 -17.220 3.988 1.00 23.03 H new ATOM 0 HA GLU A 30 -10.524 -16.028 6.622 1.00 3.12 H new ATOM 0 HB2 GLU A 30 -11.409 -18.811 5.810 1.00 13.14 H new ATOM 0 HB3 GLU A 30 -11.153 -18.251 7.451 1.00 13.14 H new ATOM 0 HG2 GLU A 30 -12.991 -16.655 7.245 1.00 72.11 H new ATOM 0 HG3 GLU A 30 -13.198 -17.058 5.552 1.00 72.11 H new ATOM 495 N LYS A 31 -8.348 -17.302 6.999 1.00 24.13 N ATOM 496 CA LYS A 31 -6.950 -17.771 7.124 1.00 60.33 C ATOM 497 C LYS A 31 -6.117 -17.519 5.859 1.00 14.12 C ATOM 498 O LYS A 31 -5.996 -18.388 4.986 1.00 64.25 O ATOM 499 CB LYS A 31 -6.856 -19.255 7.580 1.00 63.13 C ATOM 500 CG LYS A 31 -7.522 -20.272 6.657 1.00 34.41 C ATOM 501 CD LYS A 31 -7.168 -21.696 7.062 1.00 62.22 C ATOM 502 CE LYS A 31 -7.862 -22.719 6.178 1.00 12.12 C ATOM 503 NZ LYS A 31 -9.337 -22.645 6.299 1.00 44.12 N ATOM 0 H LYS A 31 -8.697 -16.844 7.841 1.00 24.13 H new ATOM 0 HA LYS A 31 -6.511 -17.163 7.915 1.00 60.33 H new ATOM 0 HB2 LYS A 31 -5.803 -19.519 7.683 1.00 63.13 H new ATOM 0 HB3 LYS A 31 -7.304 -19.341 8.570 1.00 63.13 H new ATOM 0 HG2 LYS A 31 -8.604 -20.141 6.687 1.00 34.41 H new ATOM 0 HG3 LYS A 31 -7.208 -20.095 5.629 1.00 34.41 H new ATOM 0 HD2 LYS A 31 -6.089 -21.834 7.001 1.00 62.22 H new ATOM 0 HD3 LYS A 31 -7.452 -21.860 8.101 1.00 62.22 H new ATOM 0 HE2 LYS A 31 -7.574 -22.556 5.139 1.00 12.12 H new ATOM 0 HE3 LYS A 31 -7.525 -23.720 6.448 1.00 12.12 H new ATOM 0 HZ1 LYS A 31 -9.763 -23.495 5.877 1.00 44.12 H new ATOM 0 HZ2 LYS A 31 -9.601 -22.588 7.303 1.00 44.12 H new ATOM 0 HZ3 LYS A 31 -9.684 -21.800 5.802 1.00 44.12 H new ATOM 517 N ILE A 32 -5.561 -16.319 5.765 1.00 61.15 N ATOM 518 CA ILE A 32 -4.736 -15.944 4.628 1.00 2.13 C ATOM 519 C ILE A 32 -3.610 -16.948 4.420 1.00 10.44 C ATOM 520 O ILE A 32 -2.697 -17.066 5.245 1.00 14.51 O ATOM 521 CB ILE A 32 -4.152 -14.524 4.800 1.00 1.45 C ATOM 522 CG1 ILE A 32 -5.270 -13.486 4.691 1.00 33.51 C ATOM 523 CG2 ILE A 32 -3.061 -14.253 3.774 1.00 63.53 C ATOM 524 CD1 ILE A 32 -4.787 -12.064 4.797 1.00 11.20 C ATOM 0 H ILE A 32 -5.668 -15.586 6.467 1.00 61.15 H new ATOM 0 HA ILE A 32 -5.377 -15.946 3.746 1.00 2.13 H new ATOM 0 HB ILE A 32 -3.699 -14.452 5.789 1.00 1.45 H new ATOM 0 HG12 ILE A 32 -5.783 -13.616 3.738 1.00 33.51 H new ATOM 0 HG13 ILE A 32 -6.003 -13.671 5.476 1.00 33.51 H new ATOM 0 HG21 ILE A 32 -2.668 -13.247 3.918 1.00 63.53 H new ATOM 0 HG22 ILE A 32 -2.257 -14.978 3.898 1.00 63.53 H new ATOM 0 HG23 ILE A 32 -3.476 -14.340 2.770 1.00 63.53 H new ATOM 0 HD11 ILE A 32 -5.635 -11.384 4.711 1.00 11.20 H new ATOM 0 HD12 ILE A 32 -4.300 -11.916 5.761 1.00 11.20 H new ATOM 0 HD13 ILE A 32 -4.076 -11.861 3.996 1.00 11.20 H new ATOM 536 N THR A 33 -3.693 -17.681 3.330 1.00 2.44 N ATOM 537 CA THR A 33 -2.722 -18.695 3.032 1.00 13.22 C ATOM 538 C THR A 33 -1.779 -18.241 1.922 1.00 31.20 C ATOM 539 O THR A 33 -2.006 -18.504 0.736 1.00 43.24 O ATOM 540 CB THR A 33 -3.408 -20.013 2.635 1.00 64.05 C ATOM 541 OG1 THR A 33 -4.465 -20.301 3.573 1.00 61.25 O ATOM 542 CG2 THR A 33 -2.409 -21.159 2.637 1.00 12.34 C ATOM 0 H THR A 33 -4.433 -17.587 2.634 1.00 2.44 H new ATOM 0 HA THR A 33 -2.136 -18.866 3.935 1.00 13.22 H new ATOM 0 HB THR A 33 -3.817 -19.906 1.630 1.00 64.05 H new ATOM 0 HG1 THR A 33 -4.915 -19.468 3.825 1.00 61.25 H new ATOM 0 HG21 THR A 33 -2.914 -22.082 2.354 1.00 12.34 H new ATOM 0 HG22 THR A 33 -1.612 -20.948 1.924 1.00 12.34 H new ATOM 0 HG23 THR A 33 -1.984 -21.269 3.635 1.00 12.34 H new ATOM 550 N ARG A 34 -0.747 -17.525 2.313 1.00 14.21 N ATOM 551 CA ARG A 34 0.265 -17.047 1.393 1.00 73.24 C ATOM 552 C ARG A 34 1.519 -16.700 2.178 1.00 35.34 C ATOM 553 O ARG A 34 1.440 -16.071 3.239 1.00 4.13 O ATOM 554 CB ARG A 34 -0.240 -15.819 0.592 1.00 14.22 C ATOM 555 CG ARG A 34 -0.387 -14.544 1.413 1.00 41.22 C ATOM 556 CD ARG A 34 -0.935 -13.384 0.588 1.00 24.23 C ATOM 557 NE ARG A 34 -2.371 -13.513 0.323 1.00 63.41 N ATOM 558 CZ ARG A 34 -3.297 -12.615 0.711 1.00 53.41 C ATOM 559 NH1 ARG A 34 -2.941 -11.548 1.429 1.00 4.00 N ATOM 560 NH2 ARG A 34 -4.573 -12.798 0.396 1.00 31.01 N ATOM 0 H ARG A 34 -0.585 -17.256 3.283 1.00 14.21 H new ATOM 0 HA ARG A 34 0.491 -17.832 0.671 1.00 73.24 H new ATOM 0 HB2 ARG A 34 0.450 -15.629 -0.230 1.00 14.22 H new ATOM 0 HB3 ARG A 34 -1.205 -16.063 0.148 1.00 14.22 H new ATOM 0 HG2 ARG A 34 -1.051 -14.732 2.257 1.00 41.22 H new ATOM 0 HG3 ARG A 34 0.583 -14.267 1.826 1.00 41.22 H new ATOM 0 HD2 ARG A 34 -0.749 -12.448 1.114 1.00 24.23 H new ATOM 0 HD3 ARG A 34 -0.397 -13.330 -0.359 1.00 24.23 H new ATOM 0 HE ARG A 34 -2.690 -14.336 -0.188 1.00 63.41 H new ATOM 0 HH11 ARG A 34 -1.964 -11.409 1.686 1.00 4.00 H new ATOM 0 HH12 ARG A 34 -3.646 -10.871 1.720 1.00 4.00 H new ATOM 0 HH21 ARG A 34 -4.853 -13.619 -0.140 1.00 31.01 H new ATOM 0 HH22 ARG A 34 -5.274 -12.118 0.690 1.00 31.01 H new ATOM 574 N THR A 35 2.661 -17.134 1.697 1.00 51.43 N ATOM 575 CA THR A 35 3.906 -16.848 2.373 1.00 22.21 C ATOM 576 C THR A 35 4.423 -15.455 1.982 1.00 13.53 C ATOM 577 O THR A 35 3.762 -14.719 1.236 1.00 0.51 O ATOM 578 CB THR A 35 4.983 -17.934 2.081 1.00 12.24 C ATOM 579 OG1 THR A 35 6.129 -17.729 2.916 1.00 10.42 O ATOM 580 CG2 THR A 35 5.412 -17.906 0.622 1.00 54.22 C ATOM 0 H THR A 35 2.754 -17.684 0.843 1.00 51.43 H new ATOM 0 HA THR A 35 3.710 -16.861 3.445 1.00 22.21 H new ATOM 0 HB THR A 35 4.541 -18.907 2.295 1.00 12.24 H new ATOM 0 HG1 THR A 35 6.800 -18.418 2.726 1.00 10.42 H new ATOM 0 HG21 THR A 35 6.164 -18.675 0.449 1.00 54.22 H new ATOM 0 HG22 THR A 35 4.548 -18.094 -0.015 1.00 54.22 H new ATOM 0 HG23 THR A 35 5.832 -16.928 0.385 1.00 54.22 H new ATOM 588 N LYS A 36 5.588 -15.100 2.496 1.00 1.51 N ATOM 589 CA LYS A 36 6.199 -13.808 2.227 1.00 62.42 C ATOM 590 C LYS A 36 6.502 -13.661 0.739 1.00 43.40 C ATOM 591 O LYS A 36 6.250 -12.614 0.143 1.00 54.31 O ATOM 592 CB LYS A 36 7.473 -13.662 3.065 1.00 0.21 C ATOM 593 CG LYS A 36 8.240 -12.371 2.847 1.00 41.42 C ATOM 594 CD LYS A 36 9.352 -12.223 3.875 1.00 11.31 C ATOM 595 CE LYS A 36 10.280 -11.070 3.542 1.00 15.34 C ATOM 596 NZ LYS A 36 11.089 -11.343 2.330 1.00 21.15 N ATOM 0 H LYS A 36 6.138 -15.699 3.112 1.00 1.51 H new ATOM 0 HA LYS A 36 5.504 -13.015 2.504 1.00 62.42 H new ATOM 0 HB2 LYS A 36 7.207 -13.735 4.119 1.00 0.21 H new ATOM 0 HB3 LYS A 36 8.133 -14.501 2.844 1.00 0.21 H new ATOM 0 HG2 LYS A 36 8.663 -12.359 1.843 1.00 41.42 H new ATOM 0 HG3 LYS A 36 7.559 -11.522 2.916 1.00 41.42 H new ATOM 0 HD2 LYS A 36 8.916 -12.065 4.861 1.00 11.31 H new ATOM 0 HD3 LYS A 36 9.926 -13.148 3.925 1.00 11.31 H new ATOM 0 HE2 LYS A 36 9.693 -10.164 3.390 1.00 15.34 H new ATOM 0 HE3 LYS A 36 10.943 -10.882 4.386 1.00 15.34 H new ATOM 0 HZ1 LYS A 36 11.876 -10.665 2.278 1.00 21.15 H new ATOM 0 HZ2 LYS A 36 11.468 -12.310 2.376 1.00 21.15 H new ATOM 0 HZ3 LYS A 36 10.491 -11.245 1.484 1.00 21.15 H new ATOM 610 N GLU A 37 7.011 -14.729 0.149 1.00 64.34 N ATOM 611 CA GLU A 37 7.335 -14.755 -1.272 1.00 30.41 C ATOM 612 C GLU A 37 6.081 -14.569 -2.120 1.00 23.42 C ATOM 613 O GLU A 37 6.080 -13.805 -3.083 1.00 5.32 O ATOM 614 CB GLU A 37 8.036 -16.070 -1.642 1.00 43.41 C ATOM 615 CG GLU A 37 9.481 -16.181 -1.148 1.00 74.12 C ATOM 616 CD GLU A 37 9.630 -15.937 0.340 1.00 22.45 C ATOM 617 OE1 GLU A 37 9.045 -16.697 1.135 1.00 15.44 O ATOM 618 OE2 GLU A 37 10.321 -14.968 0.717 1.00 32.53 O ATOM 0 H GLU A 37 7.212 -15.602 0.638 1.00 64.34 H new ATOM 0 HA GLU A 37 8.014 -13.927 -1.477 1.00 30.41 H new ATOM 0 HB2 GLU A 37 7.461 -16.901 -1.233 1.00 43.41 H new ATOM 0 HB3 GLU A 37 8.027 -16.179 -2.726 1.00 43.41 H new ATOM 0 HG2 GLU A 37 9.863 -17.174 -1.386 1.00 74.12 H new ATOM 0 HG3 GLU A 37 10.098 -15.464 -1.690 1.00 74.12 H new ATOM 625 N GLU A 38 5.007 -15.262 -1.744 1.00 60.21 N ATOM 626 CA GLU A 38 3.737 -15.165 -2.460 1.00 31.32 C ATOM 627 C GLU A 38 3.211 -13.741 -2.458 1.00 2.21 C ATOM 628 O GLU A 38 2.698 -13.261 -3.470 1.00 13.42 O ATOM 629 CB GLU A 38 2.696 -16.104 -1.855 1.00 42.43 C ATOM 630 CG GLU A 38 2.924 -17.564 -2.186 1.00 1.02 C ATOM 631 CD GLU A 38 2.871 -17.828 -3.672 1.00 0.11 C ATOM 632 OE1 GLU A 38 1.762 -17.802 -4.243 1.00 74.33 O ATOM 633 OE2 GLU A 38 3.935 -18.062 -4.278 1.00 63.05 O ATOM 0 H GLU A 38 4.992 -15.898 -0.946 1.00 60.21 H new ATOM 0 HA GLU A 38 3.922 -15.463 -3.492 1.00 31.32 H new ATOM 0 HB2 GLU A 38 2.697 -15.982 -0.772 1.00 42.43 H new ATOM 0 HB3 GLU A 38 1.707 -15.811 -2.208 1.00 42.43 H new ATOM 0 HG2 GLU A 38 3.894 -17.875 -1.798 1.00 1.02 H new ATOM 0 HG3 GLU A 38 2.170 -18.170 -1.684 1.00 1.02 H new ATOM 640 N ALA A 39 3.343 -13.070 -1.321 1.00 21.32 N ATOM 641 CA ALA A 39 2.899 -11.692 -1.196 1.00 25.41 C ATOM 642 C ALA A 39 3.704 -10.792 -2.123 1.00 72.43 C ATOM 643 O ALA A 39 3.143 -9.960 -2.836 1.00 64.55 O ATOM 644 CB ALA A 39 3.022 -11.223 0.247 1.00 5.12 C ATOM 0 H ALA A 39 3.754 -13.460 -0.473 1.00 21.32 H new ATOM 0 HA ALA A 39 1.850 -11.636 -1.486 1.00 25.41 H new ATOM 0 HB1 ALA A 39 2.685 -10.189 0.323 1.00 5.12 H new ATOM 0 HB2 ALA A 39 2.406 -11.853 0.888 1.00 5.12 H new ATOM 0 HB3 ALA A 39 4.063 -11.290 0.564 1.00 5.12 H new ATOM 650 N LEU A 40 5.019 -10.988 -2.126 1.00 41.02 N ATOM 651 CA LEU A 40 5.918 -10.213 -2.976 1.00 1.54 C ATOM 652 C LEU A 40 5.570 -10.414 -4.451 1.00 65.31 C ATOM 653 O LEU A 40 5.524 -9.457 -5.230 1.00 53.20 O ATOM 654 CB LEU A 40 7.370 -10.627 -2.718 1.00 2.43 C ATOM 655 CG LEU A 40 8.433 -9.884 -3.530 1.00 3.22 C ATOM 656 CD1 LEU A 40 8.462 -8.407 -3.163 1.00 32.30 C ATOM 657 CD2 LEU A 40 9.798 -10.518 -3.321 1.00 50.21 C ATOM 0 H LEU A 40 5.489 -11.682 -1.545 1.00 41.02 H new ATOM 0 HA LEU A 40 5.800 -9.157 -2.733 1.00 1.54 H new ATOM 0 HB2 LEU A 40 7.585 -10.485 -1.659 1.00 2.43 H new ATOM 0 HB3 LEU A 40 7.465 -11.694 -2.922 1.00 2.43 H new ATOM 0 HG LEU A 40 8.174 -9.962 -4.586 1.00 3.22 H new ATOM 0 HD11 LEU A 40 9.225 -7.900 -3.753 1.00 32.30 H new ATOM 0 HD12 LEU A 40 7.489 -7.962 -3.369 1.00 32.30 H new ATOM 0 HD13 LEU A 40 8.693 -8.300 -2.103 1.00 32.30 H new ATOM 0 HD21 LEU A 40 10.543 -9.978 -3.905 1.00 50.21 H new ATOM 0 HD22 LEU A 40 10.062 -10.472 -2.265 1.00 50.21 H new ATOM 0 HD23 LEU A 40 9.769 -11.559 -3.643 1.00 50.21 H new ATOM 669 N GLU A 41 5.312 -11.664 -4.822 1.00 62.40 N ATOM 670 CA GLU A 41 4.942 -12.011 -6.189 1.00 3.32 C ATOM 671 C GLU A 41 3.690 -11.263 -6.621 1.00 63.12 C ATOM 672 O GLU A 41 3.587 -10.811 -7.771 1.00 13.33 O ATOM 673 CB GLU A 41 4.726 -13.514 -6.313 1.00 32.23 C ATOM 674 CG GLU A 41 6.003 -14.321 -6.202 1.00 3.03 C ATOM 675 CD GLU A 41 6.942 -14.056 -7.351 1.00 25.14 C ATOM 676 OE1 GLU A 41 7.713 -13.090 -7.285 1.00 23.10 O ATOM 677 OE2 GLU A 41 6.903 -14.818 -8.339 1.00 63.20 O ATOM 0 H GLU A 41 5.353 -12.461 -4.187 1.00 62.40 H new ATOM 0 HA GLU A 41 5.760 -11.716 -6.847 1.00 3.32 H new ATOM 0 HB2 GLU A 41 4.033 -13.838 -5.537 1.00 32.23 H new ATOM 0 HB3 GLU A 41 4.254 -13.727 -7.272 1.00 32.23 H new ATOM 0 HG2 GLU A 41 6.503 -14.081 -5.263 1.00 3.03 H new ATOM 0 HG3 GLU A 41 5.759 -15.383 -6.171 1.00 3.03 H new ATOM 684 N LEU A 42 2.745 -11.131 -5.701 1.00 13.02 N ATOM 685 CA LEU A 42 1.515 -10.410 -5.971 1.00 14.52 C ATOM 686 C LEU A 42 1.803 -8.927 -6.151 1.00 22.13 C ATOM 687 O LEU A 42 1.324 -8.310 -7.097 1.00 13.52 O ATOM 688 CB LEU A 42 0.506 -10.619 -4.838 1.00 4.41 C ATOM 689 CG LEU A 42 0.017 -12.055 -4.629 1.00 52.22 C ATOM 690 CD1 LEU A 42 -0.915 -12.130 -3.430 1.00 31.14 C ATOM 691 CD2 LEU A 42 -0.682 -12.573 -5.879 1.00 24.14 C ATOM 0 H LEU A 42 2.810 -11.516 -4.759 1.00 13.02 H new ATOM 0 HA LEU A 42 1.083 -10.800 -6.893 1.00 14.52 H new ATOM 0 HB2 LEU A 42 0.957 -10.271 -3.908 1.00 4.41 H new ATOM 0 HB3 LEU A 42 -0.360 -9.986 -5.029 1.00 4.41 H new ATOM 0 HG LEU A 42 0.884 -12.687 -4.435 1.00 52.22 H new ATOM 0 HD11 LEU A 42 -1.253 -13.157 -3.296 1.00 31.14 H new ATOM 0 HD12 LEU A 42 -0.384 -11.803 -2.536 1.00 31.14 H new ATOM 0 HD13 LEU A 42 -1.776 -11.483 -3.598 1.00 31.14 H new ATOM 0 HD21 LEU A 42 -1.022 -13.595 -5.709 1.00 24.14 H new ATOM 0 HD22 LEU A 42 -1.539 -11.939 -6.106 1.00 24.14 H new ATOM 0 HD23 LEU A 42 0.014 -12.557 -6.718 1.00 24.14 H new ATOM 703 N ILE A 43 2.607 -8.372 -5.243 1.00 73.24 N ATOM 704 CA ILE A 43 2.980 -6.954 -5.285 1.00 44.32 C ATOM 705 C ILE A 43 3.569 -6.586 -6.639 1.00 33.12 C ATOM 706 O ILE A 43 3.098 -5.658 -7.298 1.00 62.22 O ATOM 707 CB ILE A 43 4.012 -6.605 -4.180 1.00 72.25 C ATOM 708 CG1 ILE A 43 3.436 -6.891 -2.793 1.00 14.21 C ATOM 709 CG2 ILE A 43 4.452 -5.145 -4.287 1.00 60.35 C ATOM 710 CD1 ILE A 43 2.218 -6.062 -2.453 1.00 74.14 C ATOM 0 H ILE A 43 3.016 -8.886 -4.463 1.00 73.24 H new ATOM 0 HA ILE A 43 2.068 -6.382 -5.115 1.00 44.32 H new ATOM 0 HB ILE A 43 4.889 -7.236 -4.325 1.00 72.25 H new ATOM 0 HG12 ILE A 43 3.174 -7.947 -2.730 1.00 14.21 H new ATOM 0 HG13 ILE A 43 4.208 -6.709 -2.045 1.00 14.21 H new ATOM 0 HG21 ILE A 43 5.175 -4.924 -3.502 1.00 60.35 H new ATOM 0 HG22 ILE A 43 4.910 -4.974 -5.261 1.00 60.35 H new ATOM 0 HG23 ILE A 43 3.585 -4.494 -4.174 1.00 60.35 H new ATOM 0 HD11 ILE A 43 1.868 -6.322 -1.454 1.00 74.14 H new ATOM 0 HD12 ILE A 43 2.478 -5.004 -2.482 1.00 74.14 H new ATOM 0 HD13 ILE A 43 1.428 -6.261 -3.177 1.00 74.14 H new ATOM 722 N ASN A 44 4.586 -7.330 -7.052 1.00 43.43 N ATOM 723 CA ASN A 44 5.244 -7.087 -8.331 1.00 72.44 C ATOM 724 C ASN A 44 4.252 -7.186 -9.475 1.00 34.14 C ATOM 725 O ASN A 44 4.269 -6.366 -10.396 1.00 45.13 O ATOM 726 CB ASN A 44 6.398 -8.067 -8.545 1.00 34.03 C ATOM 727 CG ASN A 44 7.567 -7.808 -7.614 1.00 2.25 C ATOM 728 OD1 ASN A 44 7.818 -6.669 -7.217 1.00 21.22 O ATOM 729 ND2 ASN A 44 8.290 -8.857 -7.266 1.00 14.10 N ATOM 0 H ASN A 44 4.975 -8.108 -6.520 1.00 43.43 H new ATOM 0 HA ASN A 44 5.650 -6.076 -8.311 1.00 72.44 H new ATOM 0 HB2 ASN A 44 6.038 -9.085 -8.394 1.00 34.03 H new ATOM 0 HB3 ASN A 44 6.740 -7.999 -9.578 1.00 34.03 H new ATOM 0 HD21 ASN A 44 9.091 -8.741 -6.645 1.00 14.10 H new ATOM 0 HD22 ASN A 44 8.047 -9.783 -7.618 1.00 14.10 H new ATOM 736 N GLY A 45 3.369 -8.180 -9.397 1.00 51.02 N ATOM 737 CA GLY A 45 2.359 -8.358 -10.420 1.00 41.01 C ATOM 738 C GLY A 45 1.438 -7.159 -10.516 1.00 40.02 C ATOM 739 O GLY A 45 1.160 -6.667 -11.614 1.00 12.41 O ATOM 0 H GLY A 45 3.338 -8.864 -8.641 1.00 51.02 H new ATOM 0 HA2 GLY A 45 2.842 -8.523 -11.383 1.00 41.01 H new ATOM 0 HA3 GLY A 45 1.773 -9.250 -10.200 1.00 41.01 H new ATOM 743 N TYR A 46 0.983 -6.676 -9.361 1.00 51.22 N ATOM 744 CA TYR A 46 0.108 -5.508 -9.303 1.00 2.13 C ATOM 745 C TYR A 46 0.798 -4.309 -9.925 1.00 11.00 C ATOM 746 O TYR A 46 0.239 -3.640 -10.793 1.00 14.33 O ATOM 747 CB TYR A 46 -0.276 -5.172 -7.852 1.00 73.31 C ATOM 748 CG TYR A 46 -0.997 -6.279 -7.107 1.00 12.21 C ATOM 749 CD1 TYR A 46 -1.833 -7.173 -7.771 1.00 10.23 C ATOM 750 CD2 TYR A 46 -0.845 -6.420 -5.733 1.00 60.33 C ATOM 751 CE1 TYR A 46 -2.490 -8.177 -7.084 1.00 31.24 C ATOM 752 CE2 TYR A 46 -1.499 -7.421 -5.042 1.00 35.21 C ATOM 753 CZ TYR A 46 -2.317 -8.296 -5.721 1.00 61.05 C ATOM 754 OH TYR A 46 -2.968 -9.294 -5.032 1.00 10.40 O ATOM 0 H TYR A 46 1.207 -7.077 -8.451 1.00 51.22 H new ATOM 0 HA TYR A 46 -0.799 -5.744 -9.860 1.00 2.13 H new ATOM 0 HB2 TYR A 46 0.630 -4.915 -7.303 1.00 73.31 H new ATOM 0 HB3 TYR A 46 -0.909 -4.285 -7.856 1.00 73.31 H new ATOM 0 HD1 TYR A 46 -1.970 -7.081 -8.838 1.00 10.23 H new ATOM 0 HD2 TYR A 46 -0.205 -5.735 -5.197 1.00 60.33 H new ATOM 0 HE1 TYR A 46 -3.135 -8.864 -7.612 1.00 31.24 H new ATOM 0 HE2 TYR A 46 -1.369 -7.517 -3.974 1.00 35.21 H new ATOM 0 HH TYR A 46 -3.894 -9.358 -5.347 1.00 10.40 H new ATOM 764 N ILE A 47 2.031 -4.061 -9.487 1.00 35.02 N ATOM 765 CA ILE A 47 2.828 -2.942 -9.978 1.00 3.22 C ATOM 766 C ILE A 47 2.939 -2.969 -11.499 1.00 14.32 C ATOM 767 O ILE A 47 2.732 -1.952 -12.160 1.00 3.12 O ATOM 768 CB ILE A 47 4.250 -2.947 -9.352 1.00 73.42 C ATOM 769 CG1 ILE A 47 4.160 -2.722 -7.835 1.00 42.54 C ATOM 770 CG2 ILE A 47 5.140 -1.888 -10.002 1.00 52.10 C ATOM 771 CD1 ILE A 47 5.493 -2.803 -7.123 1.00 1.21 C ATOM 0 H ILE A 47 2.503 -4.629 -8.784 1.00 35.02 H new ATOM 0 HA ILE A 47 2.315 -2.028 -9.679 1.00 3.22 H new ATOM 0 HB ILE A 47 4.703 -3.921 -9.536 1.00 73.42 H new ATOM 0 HG12 ILE A 47 3.718 -1.743 -7.648 1.00 42.54 H new ATOM 0 HG13 ILE A 47 3.485 -3.463 -7.407 1.00 42.54 H new ATOM 0 HG21 ILE A 47 6.129 -1.914 -9.545 1.00 52.10 H new ATOM 0 HG22 ILE A 47 5.228 -2.092 -11.069 1.00 52.10 H new ATOM 0 HG23 ILE A 47 4.698 -0.902 -9.856 1.00 52.10 H new ATOM 0 HD11 ILE A 47 5.347 -2.633 -6.056 1.00 1.21 H new ATOM 0 HD12 ILE A 47 5.928 -3.790 -7.277 1.00 1.21 H new ATOM 0 HD13 ILE A 47 6.165 -2.044 -7.522 1.00 1.21 H new ATOM 783 N GLN A 48 3.236 -4.139 -12.051 1.00 42.44 N ATOM 784 CA GLN A 48 3.380 -4.284 -13.496 1.00 60.13 C ATOM 785 C GLN A 48 2.091 -3.897 -14.223 1.00 44.25 C ATOM 786 O GLN A 48 2.125 -3.180 -15.222 1.00 42.40 O ATOM 787 CB GLN A 48 3.780 -5.718 -13.869 1.00 71.44 C ATOM 788 CG GLN A 48 5.125 -6.166 -13.302 1.00 52.13 C ATOM 789 CD GLN A 48 6.272 -5.244 -13.680 1.00 75.01 C ATOM 790 OE1 GLN A 48 6.894 -5.408 -14.728 1.00 41.24 O ATOM 791 NE2 GLN A 48 6.581 -4.292 -12.815 1.00 74.43 N ATOM 0 H GLN A 48 3.382 -4.999 -11.523 1.00 42.44 H new ATOM 0 HA GLN A 48 4.173 -3.606 -13.813 1.00 60.13 H new ATOM 0 HB2 GLN A 48 3.006 -6.401 -13.518 1.00 71.44 H new ATOM 0 HB3 GLN A 48 3.811 -5.803 -14.955 1.00 71.44 H new ATOM 0 HG2 GLN A 48 5.054 -6.220 -12.216 1.00 52.13 H new ATOM 0 HG3 GLN A 48 5.345 -7.173 -13.658 1.00 52.13 H new ATOM 0 HE21 GLN A 48 6.040 -4.188 -11.956 1.00 74.43 H new ATOM 0 HE22 GLN A 48 7.360 -3.662 -13.007 1.00 74.43 H new ATOM 800 N LYS A 49 0.955 -4.348 -13.696 1.00 60.11 N ATOM 801 CA LYS A 49 -0.342 -4.072 -14.313 1.00 24.25 C ATOM 802 C LYS A 49 -0.732 -2.598 -14.185 1.00 63.13 C ATOM 803 O LYS A 49 -1.290 -2.013 -15.111 1.00 65.11 O ATOM 804 CB LYS A 49 -1.432 -4.950 -13.698 1.00 24.14 C ATOM 805 CG LYS A 49 -1.260 -6.436 -13.962 1.00 34.31 C ATOM 806 CD LYS A 49 -2.414 -7.231 -13.375 1.00 0.31 C ATOM 807 CE LYS A 49 -2.319 -8.703 -13.733 1.00 53.03 C ATOM 808 NZ LYS A 49 -3.500 -9.464 -13.250 1.00 75.31 N ATOM 0 H LYS A 49 0.905 -4.906 -12.844 1.00 60.11 H new ATOM 0 HA LYS A 49 -0.247 -4.306 -15.373 1.00 24.25 H new ATOM 0 HB2 LYS A 49 -1.451 -4.784 -12.621 1.00 24.14 H new ATOM 0 HB3 LYS A 49 -2.400 -4.633 -14.087 1.00 24.14 H new ATOM 0 HG2 LYS A 49 -1.201 -6.614 -15.036 1.00 34.31 H new ATOM 0 HG3 LYS A 49 -0.320 -6.779 -13.530 1.00 34.31 H new ATOM 0 HD2 LYS A 49 -2.419 -7.119 -12.291 1.00 0.31 H new ATOM 0 HD3 LYS A 49 -3.358 -6.827 -13.741 1.00 0.31 H new ATOM 0 HE2 LYS A 49 -2.235 -8.810 -14.815 1.00 53.03 H new ATOM 0 HE3 LYS A 49 -1.412 -9.125 -13.300 1.00 53.03 H new ATOM 0 HZ1 LYS A 49 -3.399 -10.465 -13.513 1.00 75.31 H new ATOM 0 HZ2 LYS A 49 -3.566 -9.383 -12.215 1.00 75.31 H new ATOM 0 HZ3 LYS A 49 -4.363 -9.077 -13.683 1.00 75.31 H new ATOM 822 N ILE A 50 -0.446 -2.006 -13.041 1.00 44.14 N ATOM 823 CA ILE A 50 -0.788 -0.608 -12.800 1.00 2.53 C ATOM 824 C ILE A 50 0.066 0.329 -13.658 1.00 4.22 C ATOM 825 O ILE A 50 -0.438 1.304 -14.220 1.00 53.42 O ATOM 826 CB ILE A 50 -0.634 -0.234 -11.303 1.00 45.35 C ATOM 827 CG1 ILE A 50 -1.543 -1.120 -10.441 1.00 71.52 C ATOM 828 CG2 ILE A 50 -0.962 1.242 -11.078 1.00 12.11 C ATOM 829 CD1 ILE A 50 -1.381 -0.898 -8.953 1.00 73.52 C ATOM 0 H ILE A 50 0.022 -2.467 -12.261 1.00 44.14 H new ATOM 0 HA ILE A 50 -1.834 -0.485 -13.081 1.00 2.53 H new ATOM 0 HB ILE A 50 0.402 -0.402 -11.010 1.00 45.35 H new ATOM 0 HG12 ILE A 50 -2.581 -0.934 -10.715 1.00 71.52 H new ATOM 0 HG13 ILE A 50 -1.336 -2.166 -10.667 1.00 71.52 H new ATOM 0 HG21 ILE A 50 -0.848 1.483 -10.021 1.00 12.11 H new ATOM 0 HG22 ILE A 50 -0.283 1.859 -11.667 1.00 12.11 H new ATOM 0 HG23 ILE A 50 -1.989 1.437 -11.386 1.00 12.11 H new ATOM 0 HD11 ILE A 50 -2.056 -1.560 -8.411 1.00 73.52 H new ATOM 0 HD12 ILE A 50 -0.352 -1.112 -8.663 1.00 73.52 H new ATOM 0 HD13 ILE A 50 -1.618 0.138 -8.712 1.00 73.52 H new ATOM 841 N LYS A 51 1.350 0.014 -13.773 1.00 3.24 N ATOM 842 CA LYS A 51 2.279 0.840 -14.548 1.00 30.22 C ATOM 843 C LYS A 51 1.947 0.817 -16.038 1.00 3.32 C ATOM 844 O LYS A 51 2.128 1.815 -16.738 1.00 42.41 O ATOM 845 CB LYS A 51 3.721 0.380 -14.322 1.00 21.11 C ATOM 846 CG LYS A 51 4.233 0.623 -12.906 1.00 25.12 C ATOM 847 CD LYS A 51 4.451 2.107 -12.623 1.00 51.34 C ATOM 848 CE LYS A 51 5.828 2.585 -13.082 1.00 54.10 C ATOM 849 NZ LYS A 51 6.040 2.436 -14.547 1.00 45.34 N ATOM 0 H LYS A 51 1.776 -0.806 -13.341 1.00 3.24 H new ATOM 0 HA LYS A 51 2.173 1.867 -14.199 1.00 30.22 H new ATOM 0 HB2 LYS A 51 3.792 -0.684 -14.546 1.00 21.11 H new ATOM 0 HB3 LYS A 51 4.372 0.898 -15.027 1.00 21.11 H new ATOM 0 HG2 LYS A 51 3.520 0.218 -12.188 1.00 25.12 H new ATOM 0 HG3 LYS A 51 5.170 0.085 -12.762 1.00 25.12 H new ATOM 0 HD2 LYS A 51 3.679 2.689 -13.127 1.00 51.34 H new ATOM 0 HD3 LYS A 51 4.342 2.291 -11.554 1.00 51.34 H new ATOM 0 HE2 LYS A 51 5.952 3.633 -12.808 1.00 54.10 H new ATOM 0 HE3 LYS A 51 6.596 2.023 -12.551 1.00 54.10 H new ATOM 0 HZ1 LYS A 51 6.856 3.010 -14.840 1.00 45.34 H new ATOM 0 HZ2 LYS A 51 6.221 1.437 -14.772 1.00 45.34 H new ATOM 0 HZ3 LYS A 51 5.191 2.757 -15.055 1.00 45.34 H new ATOM 863 N SER A 52 1.450 -0.310 -16.515 1.00 74.41 N ATOM 864 CA SER A 52 1.100 -0.452 -17.917 1.00 35.33 C ATOM 865 C SER A 52 -0.268 0.167 -18.220 1.00 15.23 C ATOM 866 O SER A 52 -0.667 0.285 -19.380 1.00 25.24 O ATOM 867 CB SER A 52 1.133 -1.924 -18.317 1.00 65.13 C ATOM 868 OG SER A 52 0.505 -2.729 -17.338 1.00 23.01 O ATOM 0 H SER A 52 1.279 -1.142 -15.951 1.00 74.41 H new ATOM 0 HA SER A 52 1.838 0.090 -18.509 1.00 35.33 H new ATOM 0 HB2 SER A 52 0.633 -2.055 -19.276 1.00 65.13 H new ATOM 0 HB3 SER A 52 2.166 -2.246 -18.450 1.00 65.13 H new ATOM 0 HG SER A 52 1.158 -2.978 -16.651 1.00 23.01 H new ATOM 874 N GLY A 53 -0.975 0.576 -17.174 1.00 51.14 N ATOM 875 CA GLY A 53 -2.279 1.186 -17.352 1.00 62.21 C ATOM 876 C GLY A 53 -3.372 0.159 -17.537 1.00 61.31 C ATOM 877 O GLY A 53 -4.437 0.461 -18.070 1.00 54.22 O ATOM 0 H GLY A 53 -0.668 0.496 -16.204 1.00 51.14 H new ATOM 0 HA2 GLY A 53 -2.509 1.806 -16.486 1.00 62.21 H new ATOM 0 HA3 GLY A 53 -2.253 1.846 -18.219 1.00 62.21 H new ATOM 881 N GLU A 54 -3.105 -1.053 -17.104 1.00 73.13 N ATOM 882 CA GLU A 54 -4.067 -2.124 -17.213 1.00 30.05 C ATOM 883 C GLU A 54 -5.034 -2.072 -16.045 1.00 10.24 C ATOM 884 O GLU A 54 -6.192 -1.680 -16.191 1.00 43.31 O ATOM 885 CB GLU A 54 -3.352 -3.471 -17.232 1.00 13.02 C ATOM 886 CG GLU A 54 -2.423 -3.666 -18.415 1.00 61.23 C ATOM 887 CD GLU A 54 -3.163 -3.766 -19.723 1.00 4.24 C ATOM 888 OE1 GLU A 54 -3.634 -4.870 -20.055 1.00 21.52 O ATOM 889 OE2 GLU A 54 -3.274 -2.753 -20.433 1.00 70.41 O ATOM 0 H GLU A 54 -2.222 -1.322 -16.670 1.00 73.13 H new ATOM 0 HA GLU A 54 -4.623 -2.004 -18.143 1.00 30.05 H new ATOM 0 HB2 GLU A 54 -2.777 -3.578 -16.312 1.00 13.02 H new ATOM 0 HB3 GLU A 54 -4.098 -4.266 -17.236 1.00 13.02 H new ATOM 0 HG2 GLU A 54 -1.721 -2.834 -18.462 1.00 61.23 H new ATOM 0 HG3 GLU A 54 -1.835 -4.571 -18.265 1.00 61.23 H new ATOM 896 N GLU A 55 -4.540 -2.435 -14.883 1.00 2.23 N ATOM 897 CA GLU A 55 -5.341 -2.457 -13.681 1.00 0.23 C ATOM 898 C GLU A 55 -5.161 -1.169 -12.895 1.00 44.02 C ATOM 899 O GLU A 55 -4.096 -0.547 -12.937 1.00 23.24 O ATOM 900 CB GLU A 55 -4.976 -3.671 -12.823 1.00 73.51 C ATOM 901 CG GLU A 55 -5.726 -4.955 -13.188 1.00 74.43 C ATOM 902 CD GLU A 55 -5.709 -5.270 -14.674 1.00 3.01 C ATOM 903 OE1 GLU A 55 -4.715 -5.850 -15.161 1.00 31.43 O ATOM 904 OE2 GLU A 55 -6.700 -4.947 -15.360 1.00 35.14 O ATOM 0 H GLU A 55 -3.571 -2.723 -14.745 1.00 2.23 H new ATOM 0 HA GLU A 55 -6.391 -2.537 -13.964 1.00 0.23 H new ATOM 0 HB2 GLU A 55 -3.905 -3.853 -12.911 1.00 73.51 H new ATOM 0 HB3 GLU A 55 -5.174 -3.434 -11.778 1.00 73.51 H new ATOM 0 HG2 GLU A 55 -5.285 -5.790 -12.643 1.00 74.43 H new ATOM 0 HG3 GLU A 55 -6.760 -4.868 -12.856 1.00 74.43 H new ATOM 911 N ASP A 56 -6.201 -0.762 -12.199 1.00 11.31 N ATOM 912 CA ASP A 56 -6.165 0.463 -11.417 1.00 73.14 C ATOM 913 C ASP A 56 -5.775 0.187 -9.986 1.00 32.12 C ATOM 914 O ASP A 56 -6.188 -0.818 -9.402 1.00 43.25 O ATOM 915 CB ASP A 56 -7.516 1.179 -11.454 1.00 1.23 C ATOM 916 CG ASP A 56 -7.764 1.883 -12.765 1.00 41.23 C ATOM 917 OD1 ASP A 56 -7.358 3.053 -12.896 1.00 10.45 O ATOM 918 OD2 ASP A 56 -8.370 1.274 -13.672 1.00 24.31 O ATOM 0 H ASP A 56 -7.089 -1.263 -12.157 1.00 11.31 H new ATOM 0 HA ASP A 56 -5.411 1.110 -11.865 1.00 73.14 H new ATOM 0 HB2 ASP A 56 -8.312 0.455 -11.279 1.00 1.23 H new ATOM 0 HB3 ASP A 56 -7.561 1.905 -10.642 1.00 1.23 H new ATOM 923 N PHE A 57 -4.995 1.094 -9.416 1.00 35.22 N ATOM 924 CA PHE A 57 -4.546 0.970 -8.037 1.00 22.44 C ATOM 925 C PHE A 57 -5.745 0.905 -7.102 1.00 22.21 C ATOM 926 O PHE A 57 -5.783 0.095 -6.182 1.00 24.15 O ATOM 927 CB PHE A 57 -3.646 2.158 -7.661 1.00 54.02 C ATOM 928 CG PHE A 57 -3.035 2.063 -6.284 1.00 31.35 C ATOM 929 CD1 PHE A 57 -3.689 2.585 -5.179 1.00 62.44 C ATOM 930 CD2 PHE A 57 -1.804 1.455 -6.099 1.00 22.32 C ATOM 931 CE1 PHE A 57 -3.129 2.501 -3.921 1.00 13.31 C ATOM 932 CE2 PHE A 57 -1.239 1.370 -4.844 1.00 13.04 C ATOM 933 CZ PHE A 57 -1.903 1.893 -3.753 1.00 14.13 C ATOM 0 H PHE A 57 -4.658 1.931 -9.892 1.00 35.22 H new ATOM 0 HA PHE A 57 -3.970 0.050 -7.937 1.00 22.44 H new ATOM 0 HB2 PHE A 57 -2.845 2.239 -8.396 1.00 54.02 H new ATOM 0 HB3 PHE A 57 -4.231 3.076 -7.724 1.00 54.02 H new ATOM 0 HD1 PHE A 57 -4.649 3.064 -5.304 1.00 62.44 H new ATOM 0 HD2 PHE A 57 -1.280 1.042 -6.949 1.00 22.32 H new ATOM 0 HE1 PHE A 57 -3.650 2.911 -3.069 1.00 13.31 H new ATOM 0 HE2 PHE A 57 -0.278 0.895 -4.715 1.00 13.04 H new ATOM 0 HZ PHE A 57 -1.463 1.826 -2.769 1.00 14.13 H new ATOM 943 N GLU A 58 -6.735 1.750 -7.369 1.00 13.33 N ATOM 944 CA GLU A 58 -7.943 1.805 -6.558 1.00 4.12 C ATOM 945 C GLU A 58 -8.688 0.481 -6.581 1.00 52.21 C ATOM 946 O GLU A 58 -9.137 0.001 -5.546 1.00 35.11 O ATOM 947 CB GLU A 58 -8.865 2.912 -7.044 1.00 21.43 C ATOM 948 CG GLU A 58 -8.272 4.300 -6.947 1.00 22.42 C ATOM 949 CD GLU A 58 -9.272 5.360 -7.321 1.00 64.30 C ATOM 950 OE1 GLU A 58 -10.165 5.648 -6.502 1.00 42.15 O ATOM 951 OE2 GLU A 58 -9.195 5.889 -8.439 1.00 1.13 O ATOM 0 H GLU A 58 -6.723 2.410 -8.147 1.00 13.33 H new ATOM 0 HA GLU A 58 -7.636 2.013 -5.533 1.00 4.12 H new ATOM 0 HB2 GLU A 58 -9.134 2.716 -8.082 1.00 21.43 H new ATOM 0 HB3 GLU A 58 -9.788 2.882 -6.464 1.00 21.43 H new ATOM 0 HG2 GLU A 58 -7.919 4.475 -5.931 1.00 22.42 H new ATOM 0 HG3 GLU A 58 -7.404 4.371 -7.602 1.00 22.42 H new ATOM 958 N SER A 59 -8.807 -0.109 -7.764 1.00 32.31 N ATOM 959 CA SER A 59 -9.514 -1.372 -7.926 1.00 61.15 C ATOM 960 C SER A 59 -8.828 -2.472 -7.123 1.00 14.25 C ATOM 961 O SER A 59 -9.482 -3.282 -6.463 1.00 63.25 O ATOM 962 CB SER A 59 -9.576 -1.759 -9.410 1.00 62.13 C ATOM 963 OG SER A 59 -10.380 -2.910 -9.609 1.00 24.21 O ATOM 0 H SER A 59 -8.421 0.270 -8.629 1.00 32.31 H new ATOM 0 HA SER A 59 -10.531 -1.251 -7.552 1.00 61.15 H new ATOM 0 HB2 SER A 59 -9.978 -0.927 -9.988 1.00 62.13 H new ATOM 0 HB3 SER A 59 -8.569 -1.948 -9.781 1.00 62.13 H new ATOM 0 HG SER A 59 -10.402 -3.132 -10.563 1.00 24.21 H new ATOM 969 N LEU A 60 -7.511 -2.477 -7.160 1.00 21.11 N ATOM 970 CA LEU A 60 -6.731 -3.473 -6.454 1.00 33.21 C ATOM 971 C LEU A 60 -6.744 -3.215 -4.949 1.00 75.44 C ATOM 972 O LEU A 60 -6.819 -4.151 -4.149 1.00 75.25 O ATOM 973 CB LEU A 60 -5.291 -3.514 -6.991 1.00 33.10 C ATOM 974 CG LEU A 60 -5.059 -4.352 -8.269 1.00 14.42 C ATOM 975 CD1 LEU A 60 -6.044 -3.986 -9.368 1.00 34.40 C ATOM 976 CD2 LEU A 60 -3.638 -4.176 -8.763 1.00 11.12 C ATOM 0 H LEU A 60 -6.954 -1.796 -7.676 1.00 21.11 H new ATOM 0 HA LEU A 60 -7.188 -4.447 -6.629 1.00 33.21 H new ATOM 0 HB2 LEU A 60 -4.971 -2.491 -7.190 1.00 33.10 H new ATOM 0 HB3 LEU A 60 -4.644 -3.903 -6.205 1.00 33.10 H new ATOM 0 HG LEU A 60 -5.222 -5.398 -8.010 1.00 14.42 H new ATOM 0 HD11 LEU A 60 -5.849 -4.596 -10.250 1.00 34.40 H new ATOM 0 HD12 LEU A 60 -7.061 -4.166 -9.020 1.00 34.40 H new ATOM 0 HD13 LEU A 60 -5.929 -2.933 -9.623 1.00 34.40 H new ATOM 0 HD21 LEU A 60 -3.489 -4.772 -9.663 1.00 11.12 H new ATOM 0 HD22 LEU A 60 -3.459 -3.125 -8.990 1.00 11.12 H new ATOM 0 HD23 LEU A 60 -2.941 -4.504 -7.992 1.00 11.12 H new ATOM 988 N ALA A 61 -6.697 -1.948 -4.568 1.00 62.44 N ATOM 989 CA ALA A 61 -6.715 -1.568 -3.162 1.00 2.14 C ATOM 990 C ALA A 61 -8.089 -1.794 -2.547 1.00 34.04 C ATOM 991 O ALA A 61 -8.224 -1.902 -1.337 1.00 44.52 O ATOM 992 CB ALA A 61 -6.292 -0.116 -2.994 1.00 31.45 C ATOM 0 H ALA A 61 -6.646 -1.161 -5.215 1.00 62.44 H new ATOM 0 HA ALA A 61 -6.002 -2.203 -2.637 1.00 2.14 H new ATOM 0 HB1 ALA A 61 -6.312 0.149 -1.937 1.00 31.45 H new ATOM 0 HB2 ALA A 61 -5.282 0.016 -3.382 1.00 31.45 H new ATOM 0 HB3 ALA A 61 -6.979 0.529 -3.542 1.00 31.45 H new ATOM 998 N SER A 62 -9.101 -1.874 -3.389 1.00 61.20 N ATOM 999 CA SER A 62 -10.461 -2.080 -2.936 1.00 4.22 C ATOM 1000 C SER A 62 -10.895 -3.530 -3.110 1.00 75.14 C ATOM 1001 O SER A 62 -12.077 -3.856 -2.960 1.00 62.14 O ATOM 1002 CB SER A 62 -11.406 -1.151 -3.686 1.00 61.32 C ATOM 1003 OG SER A 62 -10.990 0.199 -3.564 1.00 43.51 O ATOM 0 H SER A 62 -9.004 -1.798 -4.402 1.00 61.20 H new ATOM 0 HA SER A 62 -10.500 -1.849 -1.871 1.00 4.22 H new ATOM 0 HB2 SER A 62 -11.439 -1.432 -4.739 1.00 61.32 H new ATOM 0 HB3 SER A 62 -12.417 -1.261 -3.295 1.00 61.32 H new ATOM 0 HG SER A 62 -10.259 0.374 -4.193 1.00 43.51 H new ATOM 1009 N GLN A 63 -9.940 -4.397 -3.418 1.00 42.24 N ATOM 1010 CA GLN A 63 -10.231 -5.808 -3.603 1.00 0.22 C ATOM 1011 C GLN A 63 -9.124 -6.686 -3.047 1.00 72.14 C ATOM 1012 O GLN A 63 -9.301 -7.317 -2.025 1.00 74.22 O ATOM 1013 CB GLN A 63 -10.477 -6.131 -5.080 1.00 32.42 C ATOM 1014 CG GLN A 63 -11.854 -5.719 -5.581 1.00 72.13 C ATOM 1015 CD GLN A 63 -12.039 -5.953 -7.066 1.00 52.33 C ATOM 1016 OE1 GLN A 63 -10.979 -5.783 -7.829 1.00 34.41 O flip ATOM 1017 NE2 GLN A 63 -13.140 -6.264 -7.524 1.00 63.04 N flip ATOM 0 H GLN A 63 -8.959 -4.146 -3.544 1.00 42.24 H new ATOM 0 HA GLN A 63 -11.142 -6.024 -3.045 1.00 0.22 H new ATOM 0 HB2 GLN A 63 -9.718 -5.632 -5.682 1.00 32.42 H new ATOM 0 HB3 GLN A 63 -10.351 -7.203 -5.233 1.00 32.42 H new ATOM 0 HG2 GLN A 63 -12.615 -6.275 -5.034 1.00 72.13 H new ATOM 0 HG3 GLN A 63 -12.013 -4.663 -5.363 1.00 72.13 H new ATOM 0 HE21 GLN A 63 -13.936 -6.386 -6.899 1.00 63.04 H new ATOM 0 HE22 GLN A 63 -13.255 -6.399 -8.528 1.00 63.04 H new ATOM 1026 N PHE A 64 -7.975 -6.698 -3.716 1.00 54.13 N ATOM 1027 CA PHE A 64 -6.852 -7.549 -3.308 1.00 65.34 C ATOM 1028 C PHE A 64 -6.335 -7.176 -1.926 1.00 3.33 C ATOM 1029 O PHE A 64 -5.894 -8.042 -1.168 1.00 32.35 O ATOM 1030 CB PHE A 64 -5.716 -7.479 -4.329 1.00 15.25 C ATOM 1031 CG PHE A 64 -6.084 -8.006 -5.687 1.00 14.54 C ATOM 1032 CD1 PHE A 64 -6.120 -9.370 -5.931 1.00 33.03 C ATOM 1033 CD2 PHE A 64 -6.382 -7.141 -6.718 1.00 34.21 C ATOM 1034 CE1 PHE A 64 -6.452 -9.854 -7.182 1.00 15.44 C ATOM 1035 CE2 PHE A 64 -6.714 -7.616 -7.971 1.00 43.44 C ATOM 1036 CZ PHE A 64 -6.748 -8.974 -8.203 1.00 22.05 C ATOM 0 H PHE A 64 -7.793 -6.130 -4.543 1.00 54.13 H new ATOM 0 HA PHE A 64 -7.225 -8.572 -3.264 1.00 65.34 H new ATOM 0 HB2 PHE A 64 -5.393 -6.443 -4.428 1.00 15.25 H new ATOM 0 HB3 PHE A 64 -4.864 -8.044 -3.950 1.00 15.25 H new ATOM 0 HD1 PHE A 64 -5.886 -10.062 -5.135 1.00 33.03 H new ATOM 0 HD2 PHE A 64 -6.355 -6.076 -6.543 1.00 34.21 H new ATOM 0 HE1 PHE A 64 -6.480 -10.919 -7.360 1.00 15.44 H new ATOM 0 HE2 PHE A 64 -6.947 -6.925 -8.768 1.00 43.44 H new ATOM 0 HZ PHE A 64 -7.006 -9.349 -9.182 1.00 22.05 H new ATOM 1046 N SER A 65 -6.380 -5.889 -1.610 1.00 51.44 N ATOM 1047 CA SER A 65 -5.949 -5.410 -0.309 1.00 42.30 C ATOM 1048 C SER A 65 -6.844 -5.994 0.778 1.00 42.15 C ATOM 1049 O SER A 65 -8.027 -5.682 0.850 1.00 41.31 O ATOM 1050 CB SER A 65 -5.992 -3.877 -0.271 1.00 63.04 C ATOM 1051 OG SER A 65 -5.451 -3.365 0.940 1.00 64.20 O ATOM 0 H SER A 65 -6.712 -5.159 -2.240 1.00 51.44 H new ATOM 0 HA SER A 65 -4.923 -5.732 -0.131 1.00 42.30 H new ATOM 0 HB2 SER A 65 -5.434 -3.476 -1.117 1.00 63.04 H new ATOM 0 HB3 SER A 65 -7.023 -3.539 -0.381 1.00 63.04 H new ATOM 0 HG SER A 65 -4.759 -3.974 1.273 1.00 64.20 H new ATOM 1057 N ASP A 66 -6.269 -6.843 1.614 1.00 64.12 N ATOM 1058 CA ASP A 66 -7.010 -7.513 2.684 1.00 23.11 C ATOM 1059 C ASP A 66 -7.079 -6.652 3.944 1.00 30.11 C ATOM 1060 O ASP A 66 -7.254 -7.165 5.056 1.00 60.24 O ATOM 1061 CB ASP A 66 -6.377 -8.879 3.007 1.00 42.34 C ATOM 1062 CG ASP A 66 -4.884 -8.799 3.304 1.00 55.30 C ATOM 1063 OD1 ASP A 66 -4.498 -8.156 4.298 1.00 31.41 O ATOM 1064 OD2 ASP A 66 -4.095 -9.399 2.546 1.00 1.03 O ATOM 0 H ASP A 66 -5.280 -7.090 1.575 1.00 64.12 H new ATOM 0 HA ASP A 66 -8.029 -7.670 2.329 1.00 23.11 H new ATOM 0 HB2 ASP A 66 -6.888 -9.314 3.866 1.00 42.34 H new ATOM 0 HB3 ASP A 66 -6.537 -9.553 2.166 1.00 42.34 H new ATOM 1069 N ALA A 67 -6.983 -5.348 3.766 1.00 2.44 N ATOM 1070 CA ALA A 67 -7.014 -4.425 4.879 1.00 11.40 C ATOM 1071 C ALA A 67 -8.168 -3.435 4.742 1.00 62.24 C ATOM 1072 O ALA A 67 -8.972 -3.525 3.812 1.00 21.43 O ATOM 1073 CB ALA A 67 -5.694 -3.688 4.980 1.00 54.35 C ATOM 0 H ALA A 67 -6.882 -4.904 2.853 1.00 2.44 H new ATOM 0 HA ALA A 67 -7.172 -4.998 5.793 1.00 11.40 H new ATOM 0 HB1 ALA A 67 -5.727 -2.995 5.821 1.00 54.35 H new ATOM 0 HB2 ALA A 67 -4.888 -4.405 5.132 1.00 54.35 H new ATOM 0 HB3 ALA A 67 -5.516 -3.132 4.059 1.00 54.35 H new ATOM 1079 N SER A 68 -8.223 -2.477 5.657 1.00 63.10 N ATOM 1080 CA SER A 68 -9.280 -1.477 5.681 1.00 51.42 C ATOM 1081 C SER A 68 -9.137 -0.453 4.544 1.00 13.52 C ATOM 1082 O SER A 68 -10.003 0.403 4.358 1.00 74.42 O ATOM 1083 CB SER A 68 -9.307 -0.784 7.044 1.00 60.22 C ATOM 1084 OG SER A 68 -7.991 -0.458 7.473 1.00 55.43 O ATOM 0 H SER A 68 -7.536 -2.372 6.403 1.00 63.10 H new ATOM 0 HA SER A 68 -10.229 -1.989 5.521 1.00 51.42 H new ATOM 0 HB2 SER A 68 -9.909 0.122 6.984 1.00 60.22 H new ATOM 0 HB3 SER A 68 -9.783 -1.435 7.778 1.00 60.22 H new ATOM 0 HG SER A 68 -8.032 -0.014 8.346 1.00 55.43 H new ATOM 1090 N SER A 69 -8.041 -0.541 3.798 1.00 12.13 N ATOM 1091 CA SER A 69 -7.801 0.354 2.672 1.00 53.50 C ATOM 1092 C SER A 69 -8.933 0.237 1.639 1.00 62.10 C ATOM 1093 O SER A 69 -9.320 1.223 1.000 1.00 64.11 O ATOM 1094 CB SER A 69 -6.456 0.026 2.023 1.00 65.14 C ATOM 1095 OG SER A 69 -5.408 0.082 2.979 1.00 72.42 O ATOM 0 H SER A 69 -7.302 -1.226 3.954 1.00 12.13 H new ATOM 0 HA SER A 69 -7.777 1.380 3.040 1.00 53.50 H new ATOM 0 HB2 SER A 69 -6.495 -0.968 1.577 1.00 65.14 H new ATOM 0 HB3 SER A 69 -6.256 0.730 1.215 1.00 65.14 H new ATOM 0 HG SER A 69 -5.389 0.971 3.391 1.00 72.42 H new ATOM 1101 N ALA A 70 -9.482 -0.967 1.520 1.00 2.04 N ATOM 1102 CA ALA A 70 -10.558 -1.251 0.584 1.00 4.20 C ATOM 1103 C ALA A 70 -11.875 -0.598 1.001 1.00 54.12 C ATOM 1104 O ALA A 70 -12.867 -0.670 0.274 1.00 72.24 O ATOM 1105 CB ALA A 70 -10.741 -2.755 0.450 1.00 74.40 C ATOM 0 H ALA A 70 -9.191 -1.774 2.072 1.00 2.04 H new ATOM 0 HA ALA A 70 -10.276 -0.825 -0.379 1.00 4.20 H new ATOM 0 HB1 ALA A 70 -11.548 -2.962 -0.252 1.00 74.40 H new ATOM 0 HB2 ALA A 70 -9.817 -3.203 0.083 1.00 74.40 H new ATOM 0 HB3 ALA A 70 -10.989 -3.180 1.423 1.00 74.40 H new ATOM 1111 N LYS A 71 -11.888 0.026 2.164 1.00 31.34 N ATOM 1112 CA LYS A 71 -13.093 0.658 2.680 1.00 25.22 C ATOM 1113 C LYS A 71 -13.081 2.161 2.417 1.00 41.04 C ATOM 1114 O LYS A 71 -13.968 2.888 2.875 1.00 43.11 O ATOM 1115 CB LYS A 71 -13.219 0.391 4.181 1.00 12.34 C ATOM 1116 CG LYS A 71 -13.110 -1.081 4.558 1.00 34.24 C ATOM 1117 CD LYS A 71 -14.239 -1.909 3.961 1.00 21.25 C ATOM 1118 CE LYS A 71 -15.583 -1.569 4.589 1.00 61.31 C ATOM 1119 NZ LYS A 71 -15.608 -1.853 6.049 1.00 12.12 N ATOM 0 H LYS A 71 -11.075 0.110 2.774 1.00 31.34 H new ATOM 0 HA LYS A 71 -13.951 0.230 2.163 1.00 25.22 H new ATOM 0 HB2 LYS A 71 -12.443 0.949 4.706 1.00 12.34 H new ATOM 0 HB3 LYS A 71 -14.178 0.775 4.529 1.00 12.34 H new ATOM 0 HG2 LYS A 71 -12.153 -1.473 4.215 1.00 34.24 H new ATOM 0 HG3 LYS A 71 -13.124 -1.179 5.644 1.00 34.24 H new ATOM 0 HD2 LYS A 71 -14.286 -1.737 2.886 1.00 21.25 H new ATOM 0 HD3 LYS A 71 -14.028 -2.969 4.105 1.00 21.25 H new ATOM 0 HE2 LYS A 71 -15.804 -0.515 4.422 1.00 61.31 H new ATOM 0 HE3 LYS A 71 -16.368 -2.142 4.096 1.00 61.31 H new ATOM 0 HZ1 LYS A 71 -16.593 -1.870 6.383 1.00 12.12 H new ATOM 0 HZ2 LYS A 71 -15.165 -2.776 6.231 1.00 12.12 H new ATOM 0 HZ3 LYS A 71 -15.083 -1.112 6.556 1.00 12.12 H new ATOM 1133 N ALA A 72 -12.077 2.623 1.684 1.00 12.14 N ATOM 1134 CA ALA A 72 -11.953 4.043 1.374 1.00 44.04 C ATOM 1135 C ALA A 72 -11.341 4.258 -0.009 1.00 33.24 C ATOM 1136 O ALA A 72 -10.750 5.307 -0.278 1.00 35.33 O ATOM 1137 CB ALA A 72 -11.108 4.734 2.437 1.00 23.13 C ATOM 0 H ALA A 72 -11.338 2.038 1.293 1.00 12.14 H new ATOM 0 HA ALA A 72 -12.952 4.478 1.368 1.00 44.04 H new ATOM 0 HB1 ALA A 72 -11.020 5.794 2.199 1.00 23.13 H new ATOM 0 HB2 ALA A 72 -11.583 4.619 3.411 1.00 23.13 H new ATOM 0 HB3 ALA A 72 -10.116 4.284 2.462 1.00 23.13 H new ATOM 1143 N ARG A 73 -11.494 3.258 -0.887 1.00 1.11 N ATOM 1144 CA ARG A 73 -10.941 3.314 -2.259 1.00 63.11 C ATOM 1145 C ARG A 73 -9.414 3.388 -2.246 1.00 42.44 C ATOM 1146 O ARG A 73 -8.794 3.760 -3.242 1.00 31.52 O ATOM 1147 CB ARG A 73 -11.510 4.513 -3.038 1.00 44.13 C ATOM 1148 CG ARG A 73 -12.969 4.379 -3.428 1.00 51.32 C ATOM 1149 CD ARG A 73 -13.487 5.658 -4.071 1.00 24.32 C ATOM 1150 NE ARG A 73 -12.628 6.109 -5.173 1.00 42.43 N ATOM 1151 CZ ARG A 73 -12.917 7.121 -5.992 1.00 72.55 C ATOM 1152 NH1 ARG A 73 -14.074 7.765 -5.883 1.00 73.31 N ATOM 1153 NH2 ARG A 73 -12.047 7.478 -6.925 1.00 51.22 N ATOM 0 H ARG A 73 -11.997 2.396 -0.677 1.00 1.11 H new ATOM 0 HA ARG A 73 -11.239 2.393 -2.760 1.00 63.11 H new ATOM 0 HB2 ARG A 73 -11.391 5.412 -2.433 1.00 44.13 H new ATOM 0 HB3 ARG A 73 -10.918 4.656 -3.942 1.00 44.13 H new ATOM 0 HG2 ARG A 73 -13.088 3.546 -4.121 1.00 51.32 H new ATOM 0 HG3 ARG A 73 -13.564 4.146 -2.545 1.00 51.32 H new ATOM 0 HD2 ARG A 73 -14.498 5.492 -4.444 1.00 24.32 H new ATOM 0 HD3 ARG A 73 -13.550 6.442 -3.317 1.00 24.32 H new ATOM 0 HE ARG A 73 -11.749 5.614 -5.323 1.00 42.43 H new ATOM 0 HH11 ARG A 73 -14.748 7.486 -5.170 1.00 73.31 H new ATOM 0 HH12 ARG A 73 -14.289 8.538 -6.513 1.00 73.31 H new ATOM 0 HH21 ARG A 73 -11.162 6.980 -7.014 1.00 51.22 H new ATOM 0 HH22 ARG A 73 -12.263 8.251 -7.554 1.00 51.22 H new ATOM 1167 N GLY A 74 -8.815 3.024 -1.121 1.00 4.10 N ATOM 1168 CA GLY A 74 -7.373 3.076 -0.995 1.00 43.15 C ATOM 1169 C GLY A 74 -6.868 4.469 -0.660 1.00 44.43 C ATOM 1170 O GLY A 74 -5.669 4.676 -0.495 1.00 75.53 O ATOM 0 H GLY A 74 -9.305 2.692 -0.290 1.00 4.10 H new ATOM 0 HA2 GLY A 74 -7.054 2.381 -0.218 1.00 43.15 H new ATOM 0 HA3 GLY A 74 -6.918 2.743 -1.928 1.00 43.15 H new ATOM 1174 N ASP A 75 -7.783 5.415 -0.540 1.00 15.23 N ATOM 1175 CA ASP A 75 -7.430 6.803 -0.252 1.00 23.50 C ATOM 1176 C ASP A 75 -7.072 6.961 1.222 1.00 33.24 C ATOM 1177 O ASP A 75 -7.897 6.703 2.100 1.00 30.13 O ATOM 1178 CB ASP A 75 -8.607 7.723 -0.604 1.00 64.15 C ATOM 1179 CG ASP A 75 -8.234 9.197 -0.680 1.00 22.52 C ATOM 1180 OD1 ASP A 75 -7.823 9.773 0.345 1.00 55.13 O ATOM 1181 OD2 ASP A 75 -8.372 9.792 -1.774 1.00 65.50 O ATOM 0 H ASP A 75 -8.785 5.250 -0.638 1.00 15.23 H new ATOM 0 HA ASP A 75 -6.565 7.079 -0.855 1.00 23.50 H new ATOM 0 HB2 ASP A 75 -9.024 7.414 -1.562 1.00 64.15 H new ATOM 0 HB3 ASP A 75 -9.392 7.594 0.141 1.00 64.15 H new ATOM 1186 N LEU A 76 -5.835 7.351 1.494 1.00 13.34 N ATOM 1187 CA LEU A 76 -5.389 7.563 2.861 1.00 22.13 C ATOM 1188 C LEU A 76 -5.665 9.011 3.259 1.00 52.31 C ATOM 1189 O LEU A 76 -5.941 9.316 4.425 1.00 4.22 O ATOM 1190 CB LEU A 76 -3.883 7.234 2.978 1.00 61.22 C ATOM 1191 CG LEU A 76 -3.339 6.927 4.386 1.00 4.11 C ATOM 1192 CD1 LEU A 76 -1.983 6.248 4.288 1.00 33.02 C ATOM 1193 CD2 LEU A 76 -3.218 8.192 5.221 1.00 12.04 C ATOM 0 H LEU A 76 -5.123 7.527 0.785 1.00 13.34 H new ATOM 0 HA LEU A 76 -5.933 6.903 3.537 1.00 22.13 H new ATOM 0 HB2 LEU A 76 -3.674 6.375 2.340 1.00 61.22 H new ATOM 0 HB3 LEU A 76 -3.321 8.076 2.574 1.00 61.22 H new ATOM 0 HG LEU A 76 -4.046 6.259 4.877 1.00 4.11 H new ATOM 0 HD11 LEU A 76 -1.609 6.036 5.290 1.00 33.02 H new ATOM 0 HD12 LEU A 76 -2.082 5.315 3.733 1.00 33.02 H new ATOM 0 HD13 LEU A 76 -1.284 6.905 3.771 1.00 33.02 H new ATOM 0 HD21 LEU A 76 -2.831 7.940 6.209 1.00 12.04 H new ATOM 0 HD22 LEU A 76 -2.537 8.888 4.731 1.00 12.04 H new ATOM 0 HD23 LEU A 76 -4.199 8.656 5.323 1.00 12.04 H new ATOM 1205 N GLY A 77 -5.621 9.888 2.277 1.00 25.31 N ATOM 1206 CA GLY A 77 -5.861 11.286 2.521 1.00 21.24 C ATOM 1207 C GLY A 77 -4.584 12.073 2.613 1.00 33.02 C ATOM 1208 O GLY A 77 -3.492 11.516 2.458 1.00 74.22 O ATOM 0 H GLY A 77 -5.421 9.653 1.305 1.00 25.31 H new ATOM 0 HA2 GLY A 77 -6.479 11.692 1.720 1.00 21.24 H new ATOM 0 HA3 GLY A 77 -6.424 11.400 3.447 1.00 21.24 H new ATOM 1212 N ALA A 78 -4.709 13.360 2.847 1.00 44.05 N ATOM 1213 CA ALA A 78 -3.560 14.224 2.984 1.00 53.30 C ATOM 1214 C ALA A 78 -3.080 14.224 4.421 1.00 33.53 C ATOM 1215 O ALA A 78 -3.742 14.774 5.306 1.00 22.35 O ATOM 1216 CB ALA A 78 -3.897 15.633 2.531 1.00 12.02 C ATOM 0 H ALA A 78 -5.606 13.835 2.947 1.00 44.05 H new ATOM 0 HA ALA A 78 -2.758 13.847 2.349 1.00 53.30 H new ATOM 0 HB1 ALA A 78 -3.020 16.270 2.641 1.00 12.02 H new ATOM 0 HB2 ALA A 78 -4.204 15.615 1.485 1.00 12.02 H new ATOM 0 HB3 ALA A 78 -4.710 16.027 3.141 1.00 12.02 H new ATOM 1222 N PHE A 79 -1.949 13.601 4.657 1.00 31.42 N ATOM 1223 CA PHE A 79 -1.401 13.511 5.996 1.00 4.30 C ATOM 1224 C PHE A 79 -0.069 14.235 6.087 1.00 63.25 C ATOM 1225 O PHE A 79 0.561 14.525 5.066 1.00 61.12 O ATOM 1226 CB PHE A 79 -1.258 12.039 6.433 1.00 12.44 C ATOM 1227 CG PHE A 79 -0.344 11.207 5.565 1.00 71.04 C ATOM 1228 CD1 PHE A 79 -0.772 10.730 4.336 1.00 64.13 C ATOM 1229 CD2 PHE A 79 0.940 10.895 5.988 1.00 72.24 C ATOM 1230 CE1 PHE A 79 0.059 9.961 3.547 1.00 4.22 C ATOM 1231 CE2 PHE A 79 1.775 10.128 5.200 1.00 5.41 C ATOM 1232 CZ PHE A 79 1.334 9.660 3.978 1.00 21.22 C ATOM 0 H PHE A 79 -1.386 13.146 3.938 1.00 31.42 H new ATOM 0 HA PHE A 79 -2.097 14.000 6.678 1.00 4.30 H new ATOM 0 HB2 PHE A 79 -0.886 12.013 7.457 1.00 12.44 H new ATOM 0 HB3 PHE A 79 -2.246 11.579 6.441 1.00 12.44 H new ATOM 0 HD1 PHE A 79 -1.769 10.963 3.991 1.00 64.13 H new ATOM 0 HD2 PHE A 79 1.290 11.256 6.944 1.00 72.24 H new ATOM 0 HE1 PHE A 79 -0.289 9.595 2.592 1.00 4.22 H new ATOM 0 HE2 PHE A 79 2.773 9.894 5.539 1.00 5.41 H new ATOM 0 HZ PHE A 79 1.986 9.060 3.361 1.00 21.22 H new ATOM 1242 N SER A 80 0.347 14.533 7.301 1.00 71.03 N ATOM 1243 CA SER A 80 1.591 15.232 7.534 1.00 74.23 C ATOM 1244 C SER A 80 2.612 14.285 8.164 1.00 50.24 C ATOM 1245 O SER A 80 2.267 13.168 8.561 1.00 53.14 O ATOM 1246 CB SER A 80 1.346 16.445 8.444 1.00 54.35 C ATOM 1247 OG SER A 80 2.478 17.303 8.485 1.00 63.25 O ATOM 0 H SER A 80 -0.167 14.298 8.150 1.00 71.03 H new ATOM 0 HA SER A 80 1.988 15.586 6.582 1.00 74.23 H new ATOM 0 HB2 SER A 80 0.480 17.001 8.085 1.00 54.35 H new ATOM 0 HB3 SER A 80 1.111 16.103 9.452 1.00 54.35 H new ATOM 0 HG SER A 80 2.838 17.413 7.580 1.00 63.25 H new ATOM 1253 N ARG A 81 3.854 14.734 8.259 1.00 25.35 N ATOM 1254 CA ARG A 81 4.922 13.929 8.832 1.00 40.13 C ATOM 1255 C ARG A 81 4.821 13.882 10.348 1.00 33.24 C ATOM 1256 O ARG A 81 4.342 14.826 10.980 1.00 23.14 O ATOM 1257 CB ARG A 81 6.285 14.466 8.409 1.00 3.15 C ATOM 1258 CG ARG A 81 6.579 14.280 6.934 1.00 23.24 C ATOM 1259 CD ARG A 81 7.842 15.007 6.522 1.00 42.31 C ATOM 1260 NE ARG A 81 7.709 16.458 6.664 1.00 42.53 N ATOM 1261 CZ ARG A 81 8.479 17.347 6.039 1.00 2.25 C ATOM 1262 NH1 ARG A 81 9.443 16.938 5.220 1.00 43.31 N ATOM 1263 NH2 ARG A 81 8.284 18.643 6.231 1.00 53.20 N ATOM 0 H ARG A 81 4.149 15.658 7.944 1.00 25.35 H new ATOM 0 HA ARG A 81 4.813 12.913 8.453 1.00 40.13 H new ATOM 0 HB2 ARG A 81 6.339 15.527 8.651 1.00 3.15 H new ATOM 0 HB3 ARG A 81 7.060 13.967 8.991 1.00 3.15 H new ATOM 0 HG2 ARG A 81 6.682 13.217 6.714 1.00 23.24 H new ATOM 0 HG3 ARG A 81 5.738 14.648 6.346 1.00 23.24 H new ATOM 0 HD2 ARG A 81 8.676 14.658 7.130 1.00 42.31 H new ATOM 0 HD3 ARG A 81 8.079 14.764 5.486 1.00 42.31 H new ATOM 0 HE ARG A 81 6.979 16.811 7.282 1.00 42.53 H new ATOM 0 HH11 ARG A 81 9.595 15.941 5.069 1.00 43.31 H new ATOM 0 HH12 ARG A 81 10.031 17.621 4.743 1.00 43.31 H new ATOM 0 HH21 ARG A 81 7.544 18.960 6.858 1.00 53.20 H new ATOM 0 HH22 ARG A 81 8.874 19.324 5.752 1.00 53.20 H new ATOM 1277 N GLY A 82 5.263 12.782 10.920 1.00 73.50 N ATOM 1278 CA GLY A 82 5.203 12.602 12.345 1.00 1.22 C ATOM 1279 C GLY A 82 3.894 11.981 12.765 1.00 32.44 C ATOM 1280 O GLY A 82 3.511 12.045 13.934 1.00 74.14 O ATOM 0 H GLY A 82 5.670 11.997 10.411 1.00 73.50 H new ATOM 0 HA2 GLY A 82 6.029 11.968 12.669 1.00 1.22 H new ATOM 0 HA3 GLY A 82 5.327 13.565 12.841 1.00 1.22 H new ATOM 1284 N GLN A 83 3.204 11.375 11.813 1.00 40.00 N ATOM 1285 CA GLN A 83 1.909 10.773 12.082 1.00 4.23 C ATOM 1286 C GLN A 83 1.882 9.309 11.671 1.00 1.33 C ATOM 1287 O GLN A 83 1.217 8.487 12.303 1.00 11.23 O ATOM 1288 CB GLN A 83 0.802 11.530 11.342 1.00 3.34 C ATOM 1289 CG GLN A 83 0.733 13.015 11.665 1.00 0.22 C ATOM 1290 CD GLN A 83 -0.464 13.699 11.027 1.00 24.40 C ATOM 1291 OE1 GLN A 83 -0.897 13.200 9.882 1.00 34.12 O flip ATOM 1292 NE2 GLN A 83 -0.993 14.670 11.566 1.00 54.01 N flip ATOM 0 H GLN A 83 3.519 11.287 10.847 1.00 40.00 H new ATOM 0 HA GLN A 83 1.737 10.835 13.156 1.00 4.23 H new ATOM 0 HB2 GLN A 83 0.951 11.410 10.269 1.00 3.34 H new ATOM 0 HB3 GLN A 83 -0.158 11.073 11.583 1.00 3.34 H new ATOM 0 HG2 GLN A 83 0.687 13.146 12.746 1.00 0.22 H new ATOM 0 HG3 GLN A 83 1.648 13.500 11.324 1.00 0.22 H new ATOM 0 HE21 GLN A 83 -0.628 15.024 12.450 1.00 54.01 H new ATOM 0 HE22 GLN A 83 -1.797 15.121 11.129 1.00 54.01 H new ATOM 1301 N MET A 84 2.602 8.982 10.623 1.00 73.42 N ATOM 1302 CA MET A 84 2.607 7.630 10.102 1.00 73.31 C ATOM 1303 C MET A 84 3.899 6.918 10.500 1.00 61.14 C ATOM 1304 O MET A 84 4.835 7.554 10.995 1.00 41.04 O ATOM 1305 CB MET A 84 2.462 7.672 8.576 1.00 34.22 C ATOM 1306 CG MET A 84 1.971 6.376 7.958 1.00 25.33 C ATOM 1307 SD MET A 84 0.317 5.918 8.524 1.00 60.44 S ATOM 1308 CE MET A 84 -0.641 7.330 7.964 1.00 25.13 C ATOM 0 H MET A 84 3.195 9.635 10.111 1.00 73.42 H new ATOM 0 HA MET A 84 1.768 7.075 10.523 1.00 73.31 H new ATOM 0 HB2 MET A 84 1.771 8.472 8.311 1.00 34.22 H new ATOM 0 HB3 MET A 84 3.427 7.927 8.138 1.00 34.22 H new ATOM 0 HG2 MET A 84 1.965 6.475 6.873 1.00 25.33 H new ATOM 0 HG3 MET A 84 2.669 5.575 8.201 1.00 25.33 H new ATOM 0 HE1 MET A 84 -1.703 7.091 8.013 1.00 25.13 H new ATOM 0 HE2 MET A 84 -0.432 8.188 8.603 1.00 25.13 H new ATOM 0 HE3 MET A 84 -0.370 7.569 6.936 1.00 25.13 H new ATOM 1318 N GLN A 85 3.936 5.601 10.314 1.00 34.02 N ATOM 1319 CA GLN A 85 5.135 4.821 10.604 1.00 14.45 C ATOM 1320 C GLN A 85 6.275 5.307 9.727 1.00 43.32 C ATOM 1321 O GLN A 85 6.081 5.530 8.537 1.00 74.33 O ATOM 1322 CB GLN A 85 4.892 3.321 10.372 1.00 10.31 C ATOM 1323 CG GLN A 85 3.894 2.679 11.336 1.00 0.12 C ATOM 1324 CD GLN A 85 2.464 3.129 11.108 1.00 5.21 C ATOM 1325 OE1 GLN A 85 2.072 3.451 9.985 1.00 34.34 O ATOM 1326 NE2 GLN A 85 1.681 3.157 12.164 1.00 11.20 N ATOM 0 H GLN A 85 3.150 5.053 9.964 1.00 34.02 H new ATOM 0 HA GLN A 85 5.394 4.958 11.654 1.00 14.45 H new ATOM 0 HB2 GLN A 85 4.535 3.178 9.352 1.00 10.31 H new ATOM 0 HB3 GLN A 85 5.844 2.796 10.453 1.00 10.31 H new ATOM 0 HG2 GLN A 85 3.947 1.595 11.234 1.00 0.12 H new ATOM 0 HG3 GLN A 85 4.184 2.917 12.359 1.00 0.12 H new ATOM 0 HE21 GLN A 85 2.045 2.882 13.076 1.00 11.20 H new ATOM 0 HE22 GLN A 85 0.709 3.453 12.071 1.00 11.20 H new ATOM 1335 N LYS A 86 7.457 5.460 10.313 1.00 1.01 N ATOM 1336 CA LYS A 86 8.615 6.016 9.601 1.00 12.52 C ATOM 1337 C LYS A 86 8.890 5.327 8.238 1.00 54.50 C ATOM 1338 O LYS A 86 9.003 6.015 7.224 1.00 21.13 O ATOM 1339 CB LYS A 86 9.875 6.008 10.476 1.00 3.22 C ATOM 1340 CG LYS A 86 10.918 7.011 10.014 1.00 51.13 C ATOM 1341 CD LYS A 86 12.212 6.903 10.797 1.00 33.12 C ATOM 1342 CE LYS A 86 13.198 7.988 10.379 1.00 41.42 C ATOM 1343 NZ LYS A 86 13.502 7.938 8.923 1.00 21.32 N ATOM 0 H LYS A 86 7.645 5.207 11.283 1.00 1.01 H new ATOM 0 HA LYS A 86 8.352 7.051 9.380 1.00 12.52 H new ATOM 0 HB2 LYS A 86 9.597 6.228 11.507 1.00 3.22 H new ATOM 0 HB3 LYS A 86 10.310 5.009 10.469 1.00 3.22 H new ATOM 0 HG2 LYS A 86 11.124 6.855 8.955 1.00 51.13 H new ATOM 0 HG3 LYS A 86 10.518 8.020 10.116 1.00 51.13 H new ATOM 0 HD2 LYS A 86 12.004 6.988 11.864 1.00 33.12 H new ATOM 0 HD3 LYS A 86 12.657 5.921 10.636 1.00 33.12 H new ATOM 0 HE2 LYS A 86 12.788 8.966 10.630 1.00 41.42 H new ATOM 0 HE3 LYS A 86 14.122 7.875 10.946 1.00 41.42 H new ATOM 0 HZ1 LYS A 86 14.386 8.452 8.735 1.00 21.32 H new ATOM 0 HZ2 LYS A 86 13.607 6.947 8.624 1.00 21.32 H new ATOM 0 HZ3 LYS A 86 12.725 8.379 8.391 1.00 21.32 H new ATOM 1357 N PRO A 87 8.984 3.960 8.180 1.00 20.15 N ATOM 1358 CA PRO A 87 9.261 3.243 6.915 1.00 53.41 C ATOM 1359 C PRO A 87 8.217 3.526 5.827 1.00 41.30 C ATOM 1360 O PRO A 87 8.489 3.372 4.636 1.00 14.42 O ATOM 1361 CB PRO A 87 9.214 1.763 7.320 1.00 75.32 C ATOM 1362 CG PRO A 87 9.476 1.762 8.785 1.00 21.33 C ATOM 1363 CD PRO A 87 8.851 3.018 9.311 1.00 0.33 C ATOM 0 HA PRO A 87 10.211 3.555 6.482 1.00 53.41 H new ATOM 0 HB2 PRO A 87 8.244 1.321 7.091 1.00 75.32 H new ATOM 0 HB3 PRO A 87 9.964 1.182 6.783 1.00 75.32 H new ATOM 0 HG2 PRO A 87 9.043 0.881 9.259 1.00 21.33 H new ATOM 0 HG3 PRO A 87 10.546 1.741 8.991 1.00 21.33 H new ATOM 0 HD2 PRO A 87 7.808 2.864 9.586 1.00 0.33 H new ATOM 0 HD3 PRO A 87 9.365 3.382 10.201 1.00 0.33 H new ATOM 1371 N PHE A 88 7.032 3.942 6.245 1.00 32.11 N ATOM 1372 CA PHE A 88 5.948 4.241 5.322 1.00 75.22 C ATOM 1373 C PHE A 88 5.914 5.739 5.017 1.00 73.21 C ATOM 1374 O PHE A 88 5.729 6.153 3.871 1.00 75.30 O ATOM 1375 CB PHE A 88 4.607 3.793 5.934 1.00 52.32 C ATOM 1376 CG PHE A 88 3.409 3.948 5.025 1.00 33.55 C ATOM 1377 CD1 PHE A 88 2.805 5.184 4.845 1.00 60.32 C ATOM 1378 CD2 PHE A 88 2.882 2.854 4.361 1.00 60.52 C ATOM 1379 CE1 PHE A 88 1.706 5.326 4.025 1.00 22.53 C ATOM 1380 CE2 PHE A 88 1.781 2.989 3.536 1.00 3.14 C ATOM 1381 CZ PHE A 88 1.193 4.227 3.370 1.00 2.41 C ATOM 0 H PHE A 88 6.795 4.081 7.227 1.00 32.11 H new ATOM 0 HA PHE A 88 6.113 3.700 4.390 1.00 75.22 H new ATOM 0 HB2 PHE A 88 4.690 2.746 6.227 1.00 52.32 H new ATOM 0 HB3 PHE A 88 4.430 4.366 6.844 1.00 52.32 H new ATOM 0 HD1 PHE A 88 3.202 6.049 5.356 1.00 60.32 H new ATOM 0 HD2 PHE A 88 3.337 1.883 4.489 1.00 60.52 H new ATOM 0 HE1 PHE A 88 1.248 6.296 3.896 1.00 22.53 H new ATOM 0 HE2 PHE A 88 1.381 2.127 3.022 1.00 3.14 H new ATOM 0 HZ PHE A 88 0.332 4.334 2.727 1.00 2.41 H new ATOM 1391 N GLU A 89 6.108 6.538 6.049 1.00 60.13 N ATOM 1392 CA GLU A 89 6.061 7.988 5.941 1.00 54.54 C ATOM 1393 C GLU A 89 7.197 8.510 5.057 1.00 4.53 C ATOM 1394 O GLU A 89 6.976 9.335 4.172 1.00 60.24 O ATOM 1395 CB GLU A 89 6.120 8.607 7.335 1.00 63.22 C ATOM 1396 CG GLU A 89 5.687 10.057 7.396 1.00 74.21 C ATOM 1397 CD GLU A 89 5.565 10.551 8.817 1.00 23.43 C ATOM 1398 OE1 GLU A 89 6.594 10.960 9.402 1.00 33.33 O ATOM 1399 OE2 GLU A 89 4.444 10.531 9.371 1.00 60.35 O ATOM 0 H GLU A 89 6.304 6.200 6.991 1.00 60.13 H new ATOM 0 HA GLU A 89 5.123 8.277 5.468 1.00 54.54 H new ATOM 0 HB2 GLU A 89 5.488 8.024 8.005 1.00 63.22 H new ATOM 0 HB3 GLU A 89 7.140 8.529 7.711 1.00 63.22 H new ATOM 0 HG2 GLU A 89 6.407 10.673 6.858 1.00 74.21 H new ATOM 0 HG3 GLU A 89 4.729 10.171 6.889 1.00 74.21 H new ATOM 1406 N ASP A 90 8.407 8.011 5.282 1.00 21.14 N ATOM 1407 CA ASP A 90 9.551 8.419 4.467 1.00 74.12 C ATOM 1408 C ASP A 90 9.399 7.940 3.040 1.00 64.22 C ATOM 1409 O ASP A 90 9.932 8.543 2.118 1.00 10.22 O ATOM 1410 CB ASP A 90 10.870 7.895 5.033 1.00 72.23 C ATOM 1411 CG ASP A 90 11.388 8.708 6.193 1.00 32.13 C ATOM 1412 OD1 ASP A 90 11.783 9.875 5.982 1.00 65.43 O ATOM 1413 OD2 ASP A 90 11.437 8.179 7.311 1.00 0.42 O ATOM 0 H ASP A 90 8.623 7.332 6.012 1.00 21.14 H new ATOM 0 HA ASP A 90 9.573 9.509 4.485 1.00 74.12 H new ATOM 0 HB2 ASP A 90 10.734 6.862 5.354 1.00 72.23 H new ATOM 0 HB3 ASP A 90 11.619 7.887 4.241 1.00 72.23 H new ATOM 1418 N ALA A 91 8.671 6.848 2.862 1.00 44.25 N ATOM 1419 CA ALA A 91 8.455 6.284 1.541 1.00 44.02 C ATOM 1420 C ALA A 91 7.418 7.087 0.765 1.00 32.11 C ATOM 1421 O ALA A 91 7.588 7.349 -0.423 1.00 65.52 O ATOM 1422 CB ALA A 91 8.031 4.828 1.648 1.00 44.42 C ATOM 0 H ALA A 91 8.219 6.335 3.619 1.00 44.25 H new ATOM 0 HA ALA A 91 9.397 6.333 0.994 1.00 44.02 H new ATOM 0 HB1 ALA A 91 7.873 4.421 0.649 1.00 44.42 H new ATOM 0 HB2 ALA A 91 8.811 4.258 2.153 1.00 44.42 H new ATOM 0 HB3 ALA A 91 7.105 4.760 2.218 1.00 44.42 H new ATOM 1428 N SER A 92 6.357 7.490 1.446 1.00 30.24 N ATOM 1429 CA SER A 92 5.289 8.250 0.818 1.00 0.23 C ATOM 1430 C SER A 92 5.745 9.664 0.455 1.00 23.14 C ATOM 1431 O SER A 92 5.467 10.152 -0.640 1.00 31.42 O ATOM 1432 CB SER A 92 4.056 8.286 1.726 1.00 21.21 C ATOM 1433 OG SER A 92 4.419 8.552 3.068 1.00 12.24 O ATOM 0 H SER A 92 6.213 7.302 2.438 1.00 30.24 H new ATOM 0 HA SER A 92 5.020 7.748 -0.111 1.00 0.23 H new ATOM 0 HB2 SER A 92 3.364 9.051 1.375 1.00 21.21 H new ATOM 0 HB3 SER A 92 3.531 7.332 1.670 1.00 21.21 H new ATOM 0 HG SER A 92 4.751 7.730 3.486 1.00 12.24 H new ATOM 1439 N PHE A 93 6.462 10.311 1.372 1.00 61.41 N ATOM 1440 CA PHE A 93 6.964 11.662 1.128 1.00 12.52 C ATOM 1441 C PHE A 93 8.145 11.665 0.156 1.00 74.50 C ATOM 1442 O PHE A 93 8.559 12.722 -0.329 1.00 2.13 O ATOM 1443 CB PHE A 93 7.343 12.354 2.444 1.00 50.01 C ATOM 1444 CG PHE A 93 6.158 12.877 3.215 1.00 15.42 C ATOM 1445 CD1 PHE A 93 5.424 12.045 4.045 1.00 23.01 C ATOM 1446 CD2 PHE A 93 5.780 14.208 3.106 1.00 32.40 C ATOM 1447 CE1 PHE A 93 4.336 12.528 4.749 1.00 31.23 C ATOM 1448 CE2 PHE A 93 4.695 14.695 3.809 1.00 13.55 C ATOM 1449 CZ PHE A 93 3.972 13.854 4.630 1.00 52.00 C ATOM 0 H PHE A 93 6.707 9.925 2.284 1.00 61.41 H new ATOM 0 HA PHE A 93 6.156 12.226 0.662 1.00 12.52 H new ATOM 0 HB2 PHE A 93 7.891 11.650 3.070 1.00 50.01 H new ATOM 0 HB3 PHE A 93 8.019 13.181 2.228 1.00 50.01 H new ATOM 0 HD1 PHE A 93 5.705 11.007 4.143 1.00 23.01 H new ATOM 0 HD2 PHE A 93 6.341 14.871 2.464 1.00 32.40 H new ATOM 0 HE1 PHE A 93 3.772 11.868 5.391 1.00 31.23 H new ATOM 0 HE2 PHE A 93 4.413 15.733 3.716 1.00 13.55 H new ATOM 0 HZ PHE A 93 3.122 14.233 5.179 1.00 52.00 H new ATOM 1459 N ALA A 94 8.685 10.483 -0.127 1.00 61.35 N ATOM 1460 CA ALA A 94 9.784 10.357 -1.079 1.00 23.02 C ATOM 1461 C ALA A 94 9.244 10.313 -2.493 1.00 21.21 C ATOM 1462 O ALA A 94 9.966 10.568 -3.461 1.00 13.32 O ATOM 1463 CB ALA A 94 10.606 9.107 -0.796 1.00 61.42 C ATOM 0 H ALA A 94 8.381 9.602 0.287 1.00 61.35 H new ATOM 0 HA ALA A 94 10.433 11.226 -0.970 1.00 23.02 H new ATOM 0 HB1 ALA A 94 11.419 9.035 -1.518 1.00 61.42 H new ATOM 0 HB2 ALA A 94 11.019 9.164 0.211 1.00 61.42 H new ATOM 0 HB3 ALA A 94 9.969 8.226 -0.878 1.00 61.42 H new ATOM 1469 N LEU A 95 7.972 9.992 -2.607 1.00 73.33 N ATOM 1470 CA LEU A 95 7.319 9.910 -3.890 1.00 32.20 C ATOM 1471 C LEU A 95 6.935 11.288 -4.375 1.00 21.31 C ATOM 1472 O LEU A 95 6.563 12.152 -3.582 1.00 53.40 O ATOM 1473 CB LEU A 95 6.062 9.043 -3.798 1.00 1.31 C ATOM 1474 CG LEU A 95 6.270 7.588 -3.395 1.00 60.12 C ATOM 1475 CD1 LEU A 95 4.932 6.877 -3.308 1.00 53.44 C ATOM 1476 CD2 LEU A 95 7.191 6.881 -4.382 1.00 13.31 C ATOM 0 H LEU A 95 7.366 9.782 -1.814 1.00 73.33 H new ATOM 0 HA LEU A 95 8.017 9.459 -4.595 1.00 32.20 H new ATOM 0 HB2 LEU A 95 5.382 9.502 -3.081 1.00 1.31 H new ATOM 0 HB3 LEU A 95 5.563 9.061 -4.767 1.00 1.31 H new ATOM 0 HG LEU A 95 6.745 7.562 -2.414 1.00 60.12 H new ATOM 0 HD11 LEU A 95 5.090 5.838 -3.019 1.00 53.44 H new ATOM 0 HD12 LEU A 95 4.306 7.369 -2.563 1.00 53.44 H new ATOM 0 HD13 LEU A 95 4.437 6.913 -4.279 1.00 53.44 H new ATOM 0 HD21 LEU A 95 7.326 5.844 -4.075 1.00 13.31 H new ATOM 0 HD22 LEU A 95 6.748 6.910 -5.378 1.00 13.31 H new ATOM 0 HD23 LEU A 95 8.159 7.383 -4.400 1.00 13.31 H new ATOM 1488 N ARG A 96 7.033 11.495 -5.666 1.00 64.43 N ATOM 1489 CA ARG A 96 6.626 12.747 -6.263 1.00 55.31 C ATOM 1490 C ARG A 96 5.138 12.688 -6.577 1.00 5.34 C ATOM 1491 O ARG A 96 4.535 11.614 -6.527 1.00 3.34 O ATOM 1492 CB ARG A 96 7.437 13.028 -7.536 1.00 64.21 C ATOM 1493 CG ARG A 96 7.315 11.950 -8.606 1.00 50.54 C ATOM 1494 CD ARG A 96 8.163 12.273 -9.820 1.00 51.35 C ATOM 1495 NE ARG A 96 8.103 11.219 -10.837 1.00 73.20 N ATOM 1496 CZ ARG A 96 8.486 11.377 -12.106 1.00 70.52 C ATOM 1497 NH1 ARG A 96 8.981 12.542 -12.517 1.00 1.25 N ATOM 1498 NH2 ARG A 96 8.386 10.365 -12.961 1.00 63.54 N ATOM 0 H ARG A 96 7.393 10.808 -6.328 1.00 64.43 H new ATOM 0 HA ARG A 96 6.815 13.560 -5.562 1.00 55.31 H new ATOM 0 HB2 ARG A 96 7.113 13.980 -7.957 1.00 64.21 H new ATOM 0 HB3 ARG A 96 8.487 13.139 -7.267 1.00 64.21 H new ATOM 0 HG2 ARG A 96 7.621 10.989 -8.192 1.00 50.54 H new ATOM 0 HG3 ARG A 96 6.272 11.850 -8.906 1.00 50.54 H new ATOM 0 HD2 ARG A 96 7.827 13.214 -10.255 1.00 51.35 H new ATOM 0 HD3 ARG A 96 9.198 12.417 -9.510 1.00 51.35 H new ATOM 0 HE ARG A 96 7.745 10.306 -10.557 1.00 73.20 H new ATOM 0 HH11 ARG A 96 9.069 13.318 -11.861 1.00 1.25 H new ATOM 0 HH12 ARG A 96 9.272 12.658 -13.488 1.00 1.25 H new ATOM 0 HH21 ARG A 96 8.017 9.467 -12.648 1.00 63.54 H new ATOM 0 HH22 ARG A 96 8.679 10.486 -13.931 1.00 63.54 H new ATOM 1512 N THR A 97 4.539 13.827 -6.867 1.00 12.32 N ATOM 1513 CA THR A 97 3.126 13.872 -7.202 1.00 14.45 C ATOM 1514 C THR A 97 2.833 12.994 -8.432 1.00 54.43 C ATOM 1515 O THR A 97 3.327 13.257 -9.533 1.00 64.01 O ATOM 1516 CB THR A 97 2.668 15.322 -7.457 1.00 33.31 C ATOM 1517 OG1 THR A 97 2.916 16.114 -6.283 1.00 14.33 O ATOM 1518 CG2 THR A 97 1.187 15.374 -7.795 1.00 71.35 C ATOM 0 H THR A 97 5.007 14.733 -6.878 1.00 12.32 H new ATOM 0 HA THR A 97 2.565 13.480 -6.354 1.00 14.45 H new ATOM 0 HB THR A 97 3.230 15.718 -8.303 1.00 33.31 H new ATOM 0 HG1 THR A 97 2.277 15.868 -5.582 1.00 14.33 H new ATOM 0 HG21 THR A 97 0.890 16.408 -7.970 1.00 71.35 H new ATOM 0 HG22 THR A 97 0.998 14.785 -8.692 1.00 71.35 H new ATOM 0 HG23 THR A 97 0.610 14.966 -6.965 1.00 71.35 H new ATOM 1526 N GLY A 98 2.054 11.939 -8.223 1.00 75.35 N ATOM 1527 CA GLY A 98 1.738 11.025 -9.295 1.00 1.32 C ATOM 1528 C GLY A 98 2.774 9.927 -9.422 1.00 55.00 C ATOM 1529 O GLY A 98 3.135 9.528 -10.528 1.00 51.31 O ATOM 0 H GLY A 98 1.635 11.703 -7.323 1.00 75.35 H new ATOM 0 HA2 GLY A 98 0.758 10.582 -9.118 1.00 1.32 H new ATOM 0 HA3 GLY A 98 1.674 11.575 -10.234 1.00 1.32 H new ATOM 1533 N GLU A 99 3.258 9.439 -8.293 1.00 63.44 N ATOM 1534 CA GLU A 99 4.270 8.396 -8.293 1.00 1.31 C ATOM 1535 C GLU A 99 3.836 7.227 -7.419 1.00 33.25 C ATOM 1536 O GLU A 99 3.113 7.414 -6.434 1.00 5.21 O ATOM 1537 CB GLU A 99 5.603 8.958 -7.799 1.00 3.25 C ATOM 1538 CG GLU A 99 6.789 8.061 -8.077 1.00 13.50 C ATOM 1539 CD GLU A 99 6.941 7.779 -9.548 1.00 55.21 C ATOM 1540 OE1 GLU A 99 7.590 8.581 -10.247 1.00 50.40 O ATOM 1541 OE2 GLU A 99 6.395 6.763 -10.019 1.00 42.50 O ATOM 0 H GLU A 99 2.967 9.748 -7.365 1.00 63.44 H new ATOM 0 HA GLU A 99 4.394 8.035 -9.314 1.00 1.31 H new ATOM 0 HB2 GLU A 99 5.774 9.926 -8.270 1.00 3.25 H new ATOM 0 HB3 GLU A 99 5.536 9.133 -6.725 1.00 3.25 H new ATOM 0 HG2 GLU A 99 7.697 8.532 -7.701 1.00 13.50 H new ATOM 0 HG3 GLU A 99 6.670 7.122 -7.537 1.00 13.50 H new ATOM 1548 N MET A 100 4.277 6.030 -7.775 1.00 14.01 N ATOM 1549 CA MET A 100 3.918 4.837 -7.029 1.00 3.21 C ATOM 1550 C MET A 100 5.159 4.146 -6.466 1.00 64.04 C ATOM 1551 O MET A 100 6.187 4.033 -7.136 1.00 53.21 O ATOM 1552 CB MET A 100 3.116 3.865 -7.903 1.00 50.12 C ATOM 1553 CG MET A 100 2.556 2.670 -7.140 1.00 21.02 C ATOM 1554 SD MET A 100 1.554 1.579 -8.173 1.00 52.33 S ATOM 1555 CE MET A 100 2.779 0.995 -9.337 1.00 55.21 C ATOM 0 H MET A 100 4.884 5.861 -8.577 1.00 14.01 H new ATOM 0 HA MET A 100 3.291 5.146 -6.193 1.00 3.21 H new ATOM 0 HB2 MET A 100 2.292 4.405 -8.369 1.00 50.12 H new ATOM 0 HB3 MET A 100 3.755 3.503 -8.708 1.00 50.12 H new ATOM 0 HG2 MET A 100 3.381 2.100 -6.713 1.00 21.02 H new ATOM 0 HG3 MET A 100 1.951 3.029 -6.307 1.00 21.02 H new ATOM 0 HE1 MET A 100 2.379 0.146 -9.891 1.00 55.21 H new ATOM 0 HE2 MET A 100 3.031 1.796 -10.032 1.00 55.21 H new ATOM 0 HE3 MET A 100 3.675 0.687 -8.798 1.00 55.21 H new ATOM 1565 N SER A 101 5.047 3.705 -5.232 1.00 71.24 N ATOM 1566 CA SER A 101 6.116 3.026 -4.534 1.00 41.35 C ATOM 1567 C SER A 101 5.996 1.518 -4.708 1.00 62.33 C ATOM 1568 O SER A 101 4.933 1.008 -5.063 1.00 41.23 O ATOM 1569 CB SER A 101 6.058 3.388 -3.040 1.00 3.51 C ATOM 1570 OG SER A 101 6.885 2.547 -2.260 1.00 13.01 O ATOM 0 H SER A 101 4.198 3.810 -4.677 1.00 71.24 H new ATOM 0 HA SER A 101 7.071 3.345 -4.952 1.00 41.35 H new ATOM 0 HB2 SER A 101 6.366 4.425 -2.906 1.00 3.51 H new ATOM 0 HB3 SER A 101 5.029 3.313 -2.688 1.00 3.51 H new ATOM 0 HG SER A 101 7.079 2.982 -1.403 1.00 13.01 H new ATOM 1576 N GLY A 102 7.090 0.816 -4.461 1.00 61.21 N ATOM 1577 CA GLY A 102 7.080 -0.622 -4.537 1.00 23.15 C ATOM 1578 C GLY A 102 6.671 -1.252 -3.213 1.00 71.54 C ATOM 1579 O GLY A 102 5.864 -0.677 -2.475 1.00 23.11 O ATOM 0 H GLY A 102 7.990 1.224 -4.208 1.00 61.21 H new ATOM 0 HA2 GLY A 102 6.392 -0.940 -5.320 1.00 23.15 H new ATOM 0 HA3 GLY A 102 8.071 -0.979 -4.819 1.00 23.15 H new ATOM 1583 N PRO A 103 7.225 -2.427 -2.877 1.00 1.40 N ATOM 1584 CA PRO A 103 6.887 -3.134 -1.640 1.00 42.24 C ATOM 1585 C PRO A 103 7.466 -2.458 -0.388 1.00 52.24 C ATOM 1586 O PRO A 103 8.659 -2.559 -0.107 1.00 61.30 O ATOM 1587 CB PRO A 103 7.513 -4.520 -1.838 1.00 70.21 C ATOM 1588 CG PRO A 103 8.639 -4.300 -2.788 1.00 71.52 C ATOM 1589 CD PRO A 103 8.225 -3.159 -3.682 1.00 32.41 C ATOM 0 HA PRO A 103 5.810 -3.154 -1.472 1.00 42.24 H new ATOM 0 HB2 PRO A 103 7.868 -4.932 -0.893 1.00 70.21 H new ATOM 0 HB3 PRO A 103 6.788 -5.227 -2.242 1.00 70.21 H new ATOM 0 HG2 PRO A 103 9.558 -4.060 -2.253 1.00 71.52 H new ATOM 0 HG3 PRO A 103 8.836 -5.199 -3.372 1.00 71.52 H new ATOM 0 HD2 PRO A 103 9.073 -2.525 -3.940 1.00 32.41 H new ATOM 0 HD3 PRO A 103 7.799 -3.519 -4.619 1.00 32.41 H new ATOM 1597 N VAL A 104 6.617 -1.755 0.343 1.00 74.40 N ATOM 1598 CA VAL A 104 7.028 -1.093 1.573 1.00 44.11 C ATOM 1599 C VAL A 104 6.780 -2.005 2.771 1.00 75.55 C ATOM 1600 O VAL A 104 5.641 -2.419 3.026 1.00 71.24 O ATOM 1601 CB VAL A 104 6.264 0.238 1.783 1.00 74.52 C ATOM 1602 CG1 VAL A 104 6.704 0.923 3.069 1.00 0.22 C ATOM 1603 CG2 VAL A 104 6.457 1.161 0.593 1.00 62.22 C ATOM 0 H VAL A 104 5.633 -1.627 0.105 1.00 74.40 H new ATOM 0 HA VAL A 104 8.092 -0.874 1.487 1.00 44.11 H new ATOM 0 HB VAL A 104 5.203 0.006 1.870 1.00 74.52 H new ATOM 0 HG11 VAL A 104 6.152 1.855 3.192 1.00 0.22 H new ATOM 0 HG12 VAL A 104 6.504 0.268 3.917 1.00 0.22 H new ATOM 0 HG13 VAL A 104 7.772 1.137 3.020 1.00 0.22 H new ATOM 0 HG21 VAL A 104 5.912 2.090 0.761 1.00 62.22 H new ATOM 0 HG22 VAL A 104 7.518 1.380 0.470 1.00 62.22 H new ATOM 0 HG23 VAL A 104 6.080 0.677 -0.308 1.00 62.22 H new ATOM 1613 N PHE A 105 7.837 -2.319 3.495 1.00 41.03 N ATOM 1614 CA PHE A 105 7.736 -3.183 4.660 1.00 13.31 C ATOM 1615 C PHE A 105 7.702 -2.360 5.938 1.00 63.22 C ATOM 1616 O PHE A 105 8.484 -1.420 6.106 1.00 75.50 O ATOM 1617 CB PHE A 105 8.905 -4.173 4.699 1.00 75.12 C ATOM 1618 CG PHE A 105 8.936 -5.115 3.527 1.00 32.23 C ATOM 1619 CD1 PHE A 105 9.588 -4.765 2.356 1.00 34.52 C ATOM 1620 CD2 PHE A 105 8.310 -6.349 3.597 1.00 4.33 C ATOM 1621 CE1 PHE A 105 9.616 -5.625 1.278 1.00 41.45 C ATOM 1622 CE2 PHE A 105 8.336 -7.213 2.521 1.00 20.33 C ATOM 1623 CZ PHE A 105 8.989 -6.851 1.360 1.00 61.34 C ATOM 0 H PHE A 105 8.781 -1.988 3.297 1.00 41.03 H new ATOM 0 HA PHE A 105 6.805 -3.745 4.586 1.00 13.31 H new ATOM 0 HB2 PHE A 105 9.841 -3.616 4.731 1.00 75.12 H new ATOM 0 HB3 PHE A 105 8.848 -4.754 5.620 1.00 75.12 H new ATOM 0 HD1 PHE A 105 10.081 -3.806 2.286 1.00 34.52 H new ATOM 0 HD2 PHE A 105 7.797 -6.638 4.502 1.00 4.33 H new ATOM 0 HE1 PHE A 105 10.128 -5.339 0.371 1.00 41.45 H new ATOM 0 HE2 PHE A 105 7.845 -8.173 2.587 1.00 20.33 H new ATOM 0 HZ PHE A 105 9.009 -7.526 0.517 1.00 61.34 H new ATOM 1633 N THR A 106 6.794 -2.701 6.828 1.00 32.21 N ATOM 1634 CA THR A 106 6.660 -1.995 8.086 1.00 51.34 C ATOM 1635 C THR A 106 6.693 -2.973 9.262 1.00 34.33 C ATOM 1636 O THR A 106 7.580 -2.899 10.119 1.00 72.55 O ATOM 1637 CB THR A 106 5.350 -1.184 8.121 1.00 51.15 C ATOM 1638 OG1 THR A 106 5.259 -0.377 6.939 1.00 33.24 O ATOM 1639 CG2 THR A 106 5.299 -0.287 9.349 1.00 34.32 C ATOM 0 H THR A 106 6.133 -3.468 6.703 1.00 32.21 H new ATOM 0 HA THR A 106 7.502 -1.308 8.174 1.00 51.34 H new ATOM 0 HB THR A 106 4.512 -1.880 8.165 1.00 51.15 H new ATOM 0 HG1 THR A 106 4.426 0.138 6.958 1.00 33.24 H new ATOM 0 HG21 THR A 106 4.365 0.275 9.351 1.00 34.32 H new ATOM 0 HG22 THR A 106 5.356 -0.899 10.249 1.00 34.32 H new ATOM 0 HG23 THR A 106 6.140 0.407 9.328 1.00 34.32 H new ATOM 1647 N ASP A 107 5.738 -3.886 9.291 1.00 63.32 N ATOM 1648 CA ASP A 107 5.658 -4.887 10.349 1.00 14.40 C ATOM 1649 C ASP A 107 4.986 -6.149 9.833 1.00 30.11 C ATOM 1650 O ASP A 107 5.610 -7.208 9.735 1.00 64.42 O ATOM 1651 CB ASP A 107 4.878 -4.338 11.553 1.00 73.30 C ATOM 1652 CG ASP A 107 4.788 -5.336 12.692 1.00 20.51 C ATOM 1653 OD1 ASP A 107 3.903 -6.220 12.650 1.00 32.32 O ATOM 1654 OD2 ASP A 107 5.603 -5.245 13.634 1.00 64.00 O ATOM 0 H ASP A 107 5.000 -3.958 8.590 1.00 63.32 H new ATOM 0 HA ASP A 107 6.672 -5.129 10.667 1.00 14.40 H new ATOM 0 HB2 ASP A 107 5.360 -3.428 11.909 1.00 73.30 H new ATOM 0 HB3 ASP A 107 3.872 -4.063 11.235 1.00 73.30 H new ATOM 1659 N SER A 108 3.716 -6.031 9.491 1.00 43.22 N ATOM 1660 CA SER A 108 2.955 -7.154 8.991 1.00 13.14 C ATOM 1661 C SER A 108 2.410 -6.864 7.597 1.00 20.31 C ATOM 1662 O SER A 108 1.617 -5.940 7.408 1.00 73.42 O ATOM 1663 CB SER A 108 1.806 -7.479 9.942 1.00 40.42 C ATOM 1664 OG SER A 108 2.282 -7.808 11.244 1.00 61.32 O ATOM 0 H SER A 108 3.189 -5.160 9.552 1.00 43.22 H new ATOM 0 HA SER A 108 3.621 -8.014 8.929 1.00 13.14 H new ATOM 0 HB2 SER A 108 1.132 -6.625 10.005 1.00 40.42 H new ATOM 0 HB3 SER A 108 1.228 -8.313 9.544 1.00 40.42 H new ATOM 0 HG SER A 108 2.727 -7.028 11.637 1.00 61.32 H new ATOM 1670 N GLY A 109 2.863 -7.625 6.624 1.00 62.32 N ATOM 1671 CA GLY A 109 2.375 -7.462 5.275 1.00 54.31 C ATOM 1672 C GLY A 109 3.197 -6.487 4.474 1.00 4.51 C ATOM 1673 O GLY A 109 4.240 -6.018 4.931 1.00 55.03 O ATOM 0 H GLY A 109 3.563 -8.357 6.742 1.00 62.32 H new ATOM 0 HA2 GLY A 109 2.376 -8.430 4.773 1.00 54.31 H new ATOM 0 HA3 GLY A 109 1.341 -7.120 5.306 1.00 54.31 H new ATOM 1677 N ILE A 110 2.736 -6.183 3.284 1.00 55.43 N ATOM 1678 CA ILE A 110 3.426 -5.264 2.411 1.00 5.35 C ATOM 1679 C ILE A 110 2.510 -4.100 2.055 1.00 4.25 C ATOM 1680 O ILE A 110 1.322 -4.293 1.786 1.00 62.32 O ATOM 1681 CB ILE A 110 3.907 -5.964 1.117 1.00 64.04 C ATOM 1682 CG1 ILE A 110 4.788 -7.175 1.461 1.00 41.04 C ATOM 1683 CG2 ILE A 110 4.669 -4.985 0.239 1.00 65.54 C ATOM 1684 CD1 ILE A 110 5.259 -7.960 0.254 1.00 62.51 C ATOM 0 H ILE A 110 1.874 -6.565 2.895 1.00 55.43 H new ATOM 0 HA ILE A 110 4.303 -4.893 2.941 1.00 5.35 H new ATOM 0 HB ILE A 110 3.035 -6.316 0.566 1.00 64.04 H new ATOM 0 HG12 ILE A 110 5.659 -6.831 2.019 1.00 41.04 H new ATOM 0 HG13 ILE A 110 4.230 -7.841 2.119 1.00 41.04 H new ATOM 0 HG21 ILE A 110 5.001 -5.491 -0.667 1.00 65.54 H new ATOM 0 HG22 ILE A 110 4.018 -4.153 -0.028 1.00 65.54 H new ATOM 0 HG23 ILE A 110 5.536 -4.608 0.782 1.00 65.54 H new ATOM 0 HD11 ILE A 110 5.875 -8.797 0.582 1.00 62.51 H new ATOM 0 HD12 ILE A 110 4.396 -8.337 -0.294 1.00 62.51 H new ATOM 0 HD13 ILE A 110 5.846 -7.311 -0.396 1.00 62.51 H new ATOM 1696 N HIS A 111 3.058 -2.899 2.077 1.00 43.24 N ATOM 1697 CA HIS A 111 2.290 -1.706 1.774 1.00 13.14 C ATOM 1698 C HIS A 111 2.730 -1.124 0.441 1.00 64.32 C ATOM 1699 O HIS A 111 3.919 -1.050 0.158 1.00 25.35 O ATOM 1700 CB HIS A 111 2.490 -0.627 2.859 1.00 0.11 C ATOM 1701 CG HIS A 111 2.204 -1.061 4.267 1.00 72.23 C ATOM 1702 ND1 HIS A 111 1.168 -0.551 5.021 1.00 1.51 N ATOM 1703 CD2 HIS A 111 2.858 -1.927 5.076 1.00 2.31 C ATOM 1704 CE1 HIS A 111 1.201 -1.085 6.229 1.00 44.20 C ATOM 1705 NE2 HIS A 111 2.214 -1.920 6.284 1.00 72.25 N ATOM 0 H HIS A 111 4.037 -2.724 2.303 1.00 43.24 H new ATOM 0 HA HIS A 111 1.239 -1.994 1.736 1.00 13.14 H new ATOM 0 HB2 HIS A 111 3.520 -0.274 2.809 1.00 0.11 H new ATOM 0 HB3 HIS A 111 1.850 0.223 2.623 1.00 0.11 H new ATOM 0 HD2 HIS A 111 3.726 -2.514 4.817 1.00 2.31 H new ATOM 0 HE1 HIS A 111 0.513 -0.872 7.034 1.00 44.20 H new ATOM 0 HE2 HIS A 111 2.479 -2.475 7.098 1.00 72.25 H new ATOM 1714 N ILE A 112 1.777 -0.740 -0.374 1.00 14.24 N ATOM 1715 CA ILE A 112 2.078 -0.047 -1.615 1.00 21.44 C ATOM 1716 C ILE A 112 1.546 1.368 -1.496 1.00 24.23 C ATOM 1717 O ILE A 112 0.467 1.580 -0.930 1.00 30.51 O ATOM 1718 CB ILE A 112 1.437 -0.720 -2.847 1.00 74.25 C ATOM 1719 CG1 ILE A 112 1.658 -2.237 -2.820 1.00 12.35 C ATOM 1720 CG2 ILE A 112 2.009 -0.124 -4.130 1.00 32.04 C ATOM 1721 CD1 ILE A 112 1.019 -2.967 -3.985 1.00 25.20 C ATOM 0 H ILE A 112 0.783 -0.894 -0.204 1.00 14.24 H new ATOM 0 HA ILE A 112 3.158 -0.069 -1.764 1.00 21.44 H new ATOM 0 HB ILE A 112 0.364 -0.533 -2.818 1.00 74.25 H new ATOM 0 HG12 ILE A 112 2.729 -2.439 -2.820 1.00 12.35 H new ATOM 0 HG13 ILE A 112 1.258 -2.637 -1.888 1.00 12.35 H new ATOM 0 HG21 ILE A 112 1.549 -0.607 -4.992 1.00 32.04 H new ATOM 0 HG22 ILE A 112 1.800 0.945 -4.159 1.00 32.04 H new ATOM 0 HG23 ILE A 112 3.087 -0.284 -4.157 1.00 32.04 H new ATOM 0 HD11 ILE A 112 1.218 -4.035 -3.898 1.00 25.20 H new ATOM 0 HD12 ILE A 112 -0.057 -2.796 -3.975 1.00 25.20 H new ATOM 0 HD13 ILE A 112 1.437 -2.595 -4.921 1.00 25.20 H new ATOM 1733 N ILE A 113 2.284 2.326 -2.000 1.00 64.22 N ATOM 1734 CA ILE A 113 1.897 3.716 -1.872 1.00 34.54 C ATOM 1735 C ILE A 113 1.843 4.393 -3.231 1.00 12.23 C ATOM 1736 O ILE A 113 2.731 4.212 -4.051 1.00 4.40 O ATOM 1737 CB ILE A 113 2.905 4.485 -0.988 1.00 0.12 C ATOM 1738 CG1 ILE A 113 3.168 3.730 0.318 1.00 50.53 C ATOM 1739 CG2 ILE A 113 2.395 5.892 -0.696 1.00 45.41 C ATOM 1740 CD1 ILE A 113 4.277 4.330 1.156 1.00 3.41 C ATOM 0 H ILE A 113 3.157 2.172 -2.504 1.00 64.22 H new ATOM 0 HA ILE A 113 0.909 3.734 -1.412 1.00 34.54 H new ATOM 0 HB ILE A 113 3.846 4.563 -1.533 1.00 0.12 H new ATOM 0 HG12 ILE A 113 2.251 3.710 0.906 1.00 50.53 H new ATOM 0 HG13 ILE A 113 3.420 2.696 0.085 1.00 50.53 H new ATOM 0 HG21 ILE A 113 3.117 6.419 -0.072 1.00 45.41 H new ATOM 0 HG22 ILE A 113 2.262 6.433 -1.633 1.00 45.41 H new ATOM 0 HG23 ILE A 113 1.440 5.832 -0.173 1.00 45.41 H new ATOM 0 HD11 ILE A 113 4.405 3.742 2.065 1.00 3.41 H new ATOM 0 HD12 ILE A 113 5.206 4.326 0.587 1.00 3.41 H new ATOM 0 HD13 ILE A 113 4.019 5.355 1.421 1.00 3.41 H new ATOM 1752 N LEU A 114 0.800 5.155 -3.466 1.00 3.24 N ATOM 1753 CA LEU A 114 0.677 5.920 -4.692 1.00 4.50 C ATOM 1754 C LEU A 114 0.291 7.344 -4.338 1.00 72.15 C ATOM 1755 O LEU A 114 -0.822 7.596 -3.882 1.00 3.11 O ATOM 1756 CB LEU A 114 -0.359 5.277 -5.641 1.00 31.42 C ATOM 1757 CG LEU A 114 -0.357 5.778 -7.104 1.00 50.20 C ATOM 1758 CD1 LEU A 114 -1.075 4.786 -8.001 1.00 1.12 C ATOM 1759 CD2 LEU A 114 -1.018 7.148 -7.222 1.00 73.31 C ATOM 0 H LEU A 114 0.017 5.264 -2.821 1.00 3.24 H new ATOM 0 HA LEU A 114 1.631 5.926 -5.219 1.00 4.50 H new ATOM 0 HB2 LEU A 114 -0.192 4.200 -5.649 1.00 31.42 H new ATOM 0 HB3 LEU A 114 -1.353 5.443 -5.225 1.00 31.42 H new ATOM 0 HG LEU A 114 0.682 5.869 -7.422 1.00 50.20 H new ATOM 0 HD11 LEU A 114 -1.066 5.151 -9.028 1.00 1.12 H new ATOM 0 HD12 LEU A 114 -0.570 3.821 -7.955 1.00 1.12 H new ATOM 0 HD13 LEU A 114 -2.106 4.672 -7.665 1.00 1.12 H new ATOM 0 HD21 LEU A 114 -1.000 7.472 -8.263 1.00 73.31 H new ATOM 0 HD22 LEU A 114 -2.051 7.084 -6.879 1.00 73.31 H new ATOM 0 HD23 LEU A 114 -0.476 7.868 -6.609 1.00 73.31 H new ATOM 1771 N ARG A 115 1.215 8.268 -4.518 1.00 14.14 N ATOM 1772 CA ARG A 115 0.968 9.654 -4.178 1.00 74.00 C ATOM 1773 C ARG A 115 0.077 10.319 -5.216 1.00 50.43 C ATOM 1774 O ARG A 115 0.491 10.543 -6.354 1.00 52.44 O ATOM 1775 CB ARG A 115 2.279 10.426 -4.023 1.00 2.42 C ATOM 1776 CG ARG A 115 2.076 11.890 -3.678 1.00 1.03 C ATOM 1777 CD ARG A 115 3.391 12.608 -3.461 1.00 23.12 C ATOM 1778 NE ARG A 115 3.194 14.048 -3.340 1.00 10.24 N ATOM 1779 CZ ARG A 115 4.169 14.945 -3.228 1.00 72.40 C ATOM 1780 NH1 ARG A 115 5.441 14.560 -3.181 1.00 32.42 N ATOM 1781 NH2 ARG A 115 3.864 16.231 -3.155 1.00 61.31 N ATOM 0 H ARG A 115 2.143 8.083 -4.898 1.00 14.14 H new ATOM 0 HA ARG A 115 0.449 9.672 -3.220 1.00 74.00 H new ATOM 0 HB2 ARG A 115 2.879 9.956 -3.244 1.00 2.42 H new ATOM 0 HB3 ARG A 115 2.847 10.354 -4.950 1.00 2.42 H new ATOM 0 HG2 ARG A 115 1.524 12.379 -4.481 1.00 1.03 H new ATOM 0 HG3 ARG A 115 1.466 11.969 -2.778 1.00 1.03 H new ATOM 0 HD2 ARG A 115 3.871 12.227 -2.560 1.00 23.12 H new ATOM 0 HD3 ARG A 115 4.064 12.399 -4.293 1.00 23.12 H new ATOM 0 HE ARG A 115 2.234 14.394 -3.341 1.00 10.24 H new ATOM 0 HH11 ARG A 115 5.676 13.569 -3.231 1.00 32.42 H new ATOM 0 HH12 ARG A 115 6.182 15.256 -3.095 1.00 32.42 H new ATOM 0 HH21 ARG A 115 2.888 16.526 -3.185 1.00 61.31 H new ATOM 0 HH22 ARG A 115 4.605 16.927 -3.069 1.00 61.31 H new ATOM 1795 N THR A 116 -1.140 10.627 -4.813 1.00 51.31 N ATOM 1796 CA THR A 116 -2.110 11.248 -5.685 1.00 52.42 C ATOM 1797 C THR A 116 -1.824 12.749 -5.824 1.00 63.31 C ATOM 1798 O THR A 116 -1.891 13.313 -6.926 1.00 5.20 O ATOM 1799 CB THR A 116 -3.529 11.045 -5.119 1.00 31.11 C ATOM 1800 OG1 THR A 116 -3.663 9.694 -4.644 1.00 55.15 O ATOM 1801 CG2 THR A 116 -4.581 11.309 -6.187 1.00 30.30 C ATOM 0 H THR A 116 -1.482 10.452 -3.868 1.00 51.31 H new ATOM 0 HA THR A 116 -2.040 10.783 -6.668 1.00 52.42 H new ATOM 0 HB THR A 116 -3.680 11.748 -4.300 1.00 31.11 H new ATOM 0 HG1 THR A 116 -4.564 9.562 -4.282 1.00 55.15 H new ATOM 0 HG21 THR A 116 -5.574 11.159 -5.764 1.00 30.30 H new ATOM 0 HG22 THR A 116 -4.489 12.335 -6.543 1.00 30.30 H new ATOM 0 HG23 THR A 116 -4.434 10.622 -7.020 1.00 30.30 H new ATOM 1809 N GLU A 117 -1.500 13.384 -4.701 1.00 5.51 N ATOM 1810 CA GLU A 117 -1.205 14.809 -4.669 1.00 3.13 C ATOM 1811 C GLU A 117 -0.026 15.082 -3.755 1.00 21.13 C ATOM 1812 O GLU A 117 -0.186 14.941 -2.526 1.00 0.00 O ATOM 1813 CB GLU A 117 -2.418 15.610 -4.196 1.00 24.21 C ATOM 1814 CG GLU A 117 -3.602 15.564 -5.141 1.00 14.30 C ATOM 1815 CD GLU A 117 -4.788 16.324 -4.609 1.00 35.30 C ATOM 1816 OE1 GLU A 117 -4.751 17.575 -4.606 1.00 11.30 O ATOM 1817 OE2 GLU A 117 -5.774 15.677 -4.200 1.00 31.44 O ATOM 1818 OXT GLU A 117 1.055 15.446 -4.266 1.00 0.00 O ATOM 0 H GLU A 117 -1.435 12.925 -3.792 1.00 5.51 H new ATOM 0 HA GLU A 117 -0.956 15.122 -5.683 1.00 3.13 H new ATOM 0 HB2 GLU A 117 -2.730 15.233 -3.222 1.00 24.21 H new ATOM 0 HB3 GLU A 117 -2.120 16.649 -4.055 1.00 24.21 H new ATOM 0 HG2 GLU A 117 -3.310 15.979 -6.106 1.00 14.30 H new ATOM 0 HG3 GLU A 117 -3.886 14.526 -5.314 1.00 14.30 H new