USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1001 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 Single : A 10 THR OG1 : rot 102:sc= 0.855 USER MOD Single : A 12 GLN : amide:sc= -0.221 K(o=-0.22,f=-3.4!) USER MOD Single : A 16 LYS NZ :NH3+ -152:sc= -0.0907 (180deg=-0.489) USER MOD Single : A 17 THR OG1 : rot 70:sc= 1.26 USER MOD Single : A 19 ASN : amide:sc= -0.413 K(o=-0.41,f=-4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 47:sc= 0.441 USER MOD Single : A 24 GLN : amide:sc= -1.04 K(o=-1,f=-3) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.0099 USER MOD Single : A 29 THR OG1 : rot -84:sc= 0.942 USER MOD Single : A 32 THR OG1 : rot 31:sc= 1 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -154:sc= -0.147 (180deg=-1.36!) USER MOD Single : A 43 THR OG1 : rot 27:sc= -0.889 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.378 USER MOD Single : A 46 LYS NZ :NH3+ 170:sc= -1.36 (180deg=-1.36) USER MOD Single : A 48 THR OG1 : rot 58:sc= 0.0345 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 160:sc= 0.928 USER MOD Single : A 61 SER OG : rot 99:sc= 0.85 USER MOD Single : A 62 HIS : no HD1:sc= -2.71! C(o=-2.7!,f=-7.2!) USER MOD Single : A 63 HIS : no HD1:sc= -3.27! K(o=-3.3!,f=-1.9) USER MOD Single : A 65 LYS NZ :NH3+ 148:sc= 1.2 (180deg=0.949) USER MOD Single : A 67 THR OG1 : rot 71:sc= 0.34 USER MOD Single : A 73 THR OG1 : rot -170:sc= -0.452 USER MOD Single : A 75 GLN : amide:sc= -0.687 K(o=-0.69,f=-0.078) USER MOD Single : A 76 GLN : amide:sc= -0.0232 X(o=-0.023,f=-0.023) USER MOD Single : A 78 HIS : no HD1:sc= -0.378 X(o=-0.38,f=-0.054) USER MOD Single : A 80 HIS : no HD1:sc= -3.59! C(o=-3.6!,f=-9!) USER MOD Single : A 81 LYS NZ :NH3+ 139:sc= 1.08 (180deg=-0.142) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -153:sc= -0.0249 (180deg=-0.317) USER MOD Single : A 93 ASN : amide:sc= -7.59! C(o=-7.6!,f=-5.7!) USER MOD Single : A 101 ASN : amide:sc= -1.56! K(o=-1.6!,f=-0.023) USER MOD Single : A 102 SER OG : rot 41:sc= 0.186 USER MOD Single : A 106 LYS NZ :NH3+ 148:sc= -0.103 (180deg=-0.747) USER MOD Single : A 110 GLN : amide:sc= -0.174 K(o=-0.17,f=-0.98) USER MOD Single : A 111 SER OG : rot 170:sc= -0.0807 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0451 USER MOD Single : A 115 ASN : amide:sc= -4.43! K(o=-4.4!,f=-0.44) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 86:sc= 1.15 USER MOD Single : A 124 MET CE :methyl 163:sc= -0.0967 (180deg=-0.42) USER MOD Single : A 127 LYS NZ :NH3+ -120:sc= -0.26 (180deg=-1.28!) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.532 7.493 1.107 1.00 1.48 N ATOM 103 CA ASP A 8 -16.427 7.559 2.102 1.00 1.30 C ATOM 104 C ASP A 8 -15.273 8.386 1.530 1.00 1.17 C ATOM 105 O ASP A 8 -14.841 8.178 0.414 1.00 1.14 O ATOM 106 CB ASP A 8 -15.933 6.144 2.412 1.00 1.19 C ATOM 107 CG ASP A 8 -15.309 6.114 3.809 1.00 1.15 C ATOM 108 OD1 ASP A 8 -16.002 6.457 4.753 1.00 1.86 O ATOM 109 OD2 ASP A 8 -14.149 5.750 3.910 1.00 1.01 O ATOM 0 HA ASP A 8 -16.791 8.026 3.017 1.00 1.30 H new ATOM 0 HB2 ASP A 8 -16.762 5.438 2.357 1.00 1.19 H new ATOM 0 HB3 ASP A 8 -15.200 5.833 1.668 1.00 1.19 H new ATOM 114 N ILE A 9 -14.772 9.324 2.286 1.00 1.14 N ATOM 115 CA ILE A 9 -13.648 10.163 1.785 1.00 1.10 C ATOM 116 C ILE A 9 -12.336 9.383 1.904 1.00 0.82 C ATOM 117 O ILE A 9 -11.358 9.693 1.255 1.00 0.83 O ATOM 118 CB ILE A 9 -13.557 11.444 2.617 1.00 1.23 C ATOM 119 CG1 ILE A 9 -12.483 12.360 2.024 1.00 1.28 C ATOM 120 CG2 ILE A 9 -13.186 11.092 4.059 1.00 1.13 C ATOM 121 CD1 ILE A 9 -12.611 13.757 2.634 1.00 1.66 C ATOM 0 H ILE A 9 -15.093 9.545 3.229 1.00 1.14 H new ATOM 0 HA ILE A 9 -13.824 10.420 0.741 1.00 1.10 H new ATOM 0 HB ILE A 9 -14.520 11.955 2.605 1.00 1.23 H new ATOM 0 HG12 ILE A 9 -11.492 11.953 2.225 1.00 1.28 H new ATOM 0 HG13 ILE A 9 -12.593 12.413 0.941 1.00 1.28 H new ATOM 0 HG21 ILE A 9 -13.121 12.005 4.651 1.00 1.13 H new ATOM 0 HG22 ILE A 9 -13.949 10.438 4.482 1.00 1.13 H new ATOM 0 HG23 ILE A 9 -12.223 10.582 4.073 1.00 1.13 H new ATOM 0 HD11 ILE A 9 -11.847 14.410 2.212 1.00 1.66 H new ATOM 0 HD12 ILE A 9 -13.598 14.162 2.411 1.00 1.66 H new ATOM 0 HD13 ILE A 9 -12.480 13.696 3.714 1.00 1.66 H new ATOM 133 N THR A 10 -12.310 8.373 2.730 1.00 0.60 N ATOM 134 CA THR A 10 -11.062 7.575 2.891 1.00 0.31 C ATOM 135 C THR A 10 -10.712 6.902 1.562 1.00 0.27 C ATOM 136 O THR A 10 -9.641 7.090 1.022 1.00 0.23 O ATOM 137 CB THR A 10 -11.275 6.505 3.964 1.00 0.19 C ATOM 138 OG1 THR A 10 -12.028 7.056 5.036 1.00 0.26 O ATOM 139 CG2 THR A 10 -9.920 6.025 4.485 1.00 0.18 C ATOM 0 H THR A 10 -13.098 8.066 3.300 1.00 0.60 H new ATOM 0 HA THR A 10 -10.246 8.233 3.191 1.00 0.31 H new ATOM 0 HB THR A 10 -11.816 5.662 3.534 1.00 0.19 H new ATOM 0 HG1 THR A 10 -12.959 6.759 4.968 1.00 0.26 H new ATOM 0 HG21 THR A 10 -10.073 5.263 5.249 1.00 0.18 H new ATOM 0 HG22 THR A 10 -9.343 5.603 3.662 1.00 0.18 H new ATOM 0 HG23 THR A 10 -9.377 6.866 4.915 1.00 0.18 H new ATOM 147 N LEU A 11 -11.610 6.116 1.030 1.00 0.31 N ATOM 148 CA LEU A 11 -11.328 5.432 -0.263 1.00 0.33 C ATOM 149 C LEU A 11 -10.889 6.466 -1.302 1.00 0.34 C ATOM 150 O LEU A 11 -10.253 6.141 -2.286 1.00 0.29 O ATOM 151 CB LEU A 11 -12.593 4.724 -0.752 1.00 0.53 C ATOM 152 CG LEU A 11 -13.139 3.826 0.360 1.00 0.70 C ATOM 153 CD1 LEU A 11 -14.401 3.115 -0.132 1.00 0.76 C ATOM 154 CD2 LEU A 11 -12.084 2.784 0.740 1.00 0.71 C ATOM 0 H LEU A 11 -12.525 5.919 1.435 1.00 0.31 H new ATOM 0 HA LEU A 11 -10.533 4.700 -0.121 1.00 0.33 H new ATOM 0 HB2 LEU A 11 -13.344 5.459 -1.042 1.00 0.53 H new ATOM 0 HB3 LEU A 11 -12.370 4.129 -1.638 1.00 0.53 H new ATOM 0 HG LEU A 11 -13.380 4.435 1.232 1.00 0.70 H new ATOM 0 HD11 LEU A 11 -14.790 2.475 0.660 1.00 0.76 H new ATOM 0 HD12 LEU A 11 -15.154 3.855 -0.403 1.00 0.76 H new ATOM 0 HD13 LEU A 11 -14.160 2.507 -1.004 1.00 0.76 H new ATOM 0 HD21 LEU A 11 -12.473 2.144 1.532 1.00 0.71 H new ATOM 0 HD22 LEU A 11 -11.843 2.176 -0.132 1.00 0.71 H new ATOM 0 HD23 LEU A 11 -11.184 3.289 1.091 1.00 0.71 H new ATOM 166 N GLN A 12 -11.221 7.711 -1.092 1.00 0.45 N ATOM 167 CA GLN A 12 -10.823 8.764 -2.069 1.00 0.56 C ATOM 168 C GLN A 12 -9.370 9.169 -1.816 1.00 0.54 C ATOM 169 O GLN A 12 -8.487 8.872 -2.597 1.00 0.55 O ATOM 170 CB GLN A 12 -11.731 9.984 -1.902 1.00 0.71 C ATOM 171 CG GLN A 12 -11.689 10.828 -3.177 1.00 0.72 C ATOM 172 CD GLN A 12 -11.936 12.296 -2.826 1.00 1.46 C ATOM 173 OE1 GLN A 12 -11.307 13.179 -3.375 1.00 2.42 O ATOM 174 NE2 GLN A 12 -12.833 12.597 -1.926 1.00 1.61 N ATOM 0 H GLN A 12 -11.750 8.044 -0.286 1.00 0.45 H new ATOM 0 HA GLN A 12 -10.921 8.376 -3.083 1.00 0.56 H new ATOM 0 HB2 GLN A 12 -12.753 9.665 -1.698 1.00 0.71 H new ATOM 0 HB3 GLN A 12 -11.406 10.579 -1.048 1.00 0.71 H new ATOM 0 HG2 GLN A 12 -10.721 10.718 -3.667 1.00 0.72 H new ATOM 0 HG3 GLN A 12 -12.444 10.480 -3.881 1.00 0.72 H new ATOM 0 HE21 GLN A 12 -13.361 11.856 -1.465 1.00 1.61 H new ATOM 0 HE22 GLN A 12 -13.005 13.573 -1.684 1.00 1.61 H new ATOM 183 N GLU A 13 -9.112 9.849 -0.731 1.00 0.55 N ATOM 184 CA GLU A 13 -7.716 10.272 -0.432 1.00 0.58 C ATOM 185 C GLU A 13 -6.771 9.083 -0.620 1.00 0.46 C ATOM 186 O GLU A 13 -5.596 9.246 -0.878 1.00 0.53 O ATOM 187 CB GLU A 13 -7.631 10.768 1.014 1.00 0.61 C ATOM 188 CG GLU A 13 -7.463 9.574 1.956 1.00 0.61 C ATOM 189 CD GLU A 13 -7.881 9.978 3.372 1.00 0.89 C ATOM 190 OE1 GLU A 13 -8.938 10.572 3.509 1.00 1.74 O ATOM 191 OE2 GLU A 13 -7.136 9.687 4.293 1.00 1.56 O ATOM 0 H GLU A 13 -9.808 10.129 -0.040 1.00 0.55 H new ATOM 0 HA GLU A 13 -7.427 11.076 -1.109 1.00 0.58 H new ATOM 0 HB2 GLU A 13 -6.791 11.453 1.125 1.00 0.61 H new ATOM 0 HB3 GLU A 13 -8.532 11.324 1.272 1.00 0.61 H new ATOM 0 HG2 GLU A 13 -8.070 8.737 1.611 1.00 0.61 H new ATOM 0 HG3 GLU A 13 -6.426 9.238 1.953 1.00 0.61 H new ATOM 198 N ILE A 14 -7.277 7.887 -0.495 1.00 0.31 N ATOM 199 CA ILE A 14 -6.409 6.689 -0.668 1.00 0.21 C ATOM 200 C ILE A 14 -6.083 6.506 -2.151 1.00 0.18 C ATOM 201 O ILE A 14 -4.950 6.641 -2.568 1.00 0.14 O ATOM 202 CB ILE A 14 -7.142 5.449 -0.151 1.00 0.08 C ATOM 203 CG1 ILE A 14 -7.166 5.475 1.379 1.00 0.10 C ATOM 204 CG2 ILE A 14 -6.415 4.190 -0.627 1.00 0.15 C ATOM 205 CD1 ILE A 14 -8.153 4.423 1.892 1.00 0.18 C ATOM 0 H ILE A 14 -8.254 7.688 -0.281 1.00 0.31 H new ATOM 0 HA ILE A 14 -5.485 6.826 -0.106 1.00 0.21 H new ATOM 0 HB ILE A 14 -8.163 5.444 -0.533 1.00 0.08 H new ATOM 0 HG12 ILE A 14 -6.169 5.276 1.772 1.00 0.10 H new ATOM 0 HG13 ILE A 14 -7.457 6.464 1.732 1.00 0.10 H new ATOM 0 HG21 ILE A 14 -6.937 3.307 -0.259 1.00 0.15 H new ATOM 0 HG22 ILE A 14 -6.395 4.171 -1.717 1.00 0.15 H new ATOM 0 HG23 ILE A 14 -5.394 4.193 -0.245 1.00 0.15 H new ATOM 0 HD11 ILE A 14 -8.170 4.441 2.982 1.00 0.18 H new ATOM 0 HD12 ILE A 14 -9.150 4.642 1.509 1.00 0.18 H new ATOM 0 HD13 ILE A 14 -7.842 3.436 1.551 1.00 0.18 H new ATOM 217 N ILE A 15 -7.066 6.201 -2.952 1.00 0.22 N ATOM 218 CA ILE A 15 -6.809 6.010 -4.408 1.00 0.19 C ATOM 219 C ILE A 15 -5.961 7.171 -4.932 1.00 0.17 C ATOM 220 O ILE A 15 -5.013 6.978 -5.668 1.00 0.09 O ATOM 221 CB ILE A 15 -8.141 5.972 -5.159 1.00 0.20 C ATOM 222 CG1 ILE A 15 -8.979 4.796 -4.650 1.00 0.35 C ATOM 223 CG2 ILE A 15 -7.879 5.798 -6.656 1.00 0.42 C ATOM 224 CD1 ILE A 15 -10.448 5.021 -5.010 1.00 0.43 C ATOM 0 H ILE A 15 -8.036 6.076 -2.662 1.00 0.22 H new ATOM 0 HA ILE A 15 -6.277 5.072 -4.564 1.00 0.19 H new ATOM 0 HB ILE A 15 -8.679 6.905 -4.990 1.00 0.20 H new ATOM 0 HG12 ILE A 15 -8.624 3.865 -5.092 1.00 0.35 H new ATOM 0 HG13 ILE A 15 -8.869 4.698 -3.570 1.00 0.35 H new ATOM 0 HG21 ILE A 15 -8.828 5.771 -7.191 1.00 0.42 H new ATOM 0 HG22 ILE A 15 -7.281 6.633 -7.020 1.00 0.42 H new ATOM 0 HG23 ILE A 15 -7.341 4.865 -6.825 1.00 0.42 H new ATOM 0 HD11 ILE A 15 -11.044 4.183 -4.647 1.00 0.43 H new ATOM 0 HD12 ILE A 15 -10.799 5.943 -4.547 1.00 0.43 H new ATOM 0 HD13 ILE A 15 -10.550 5.097 -6.093 1.00 0.43 H new ATOM 236 N LYS A 16 -6.292 8.377 -4.558 1.00 0.25 N ATOM 237 CA LYS A 16 -5.505 9.547 -5.035 1.00 0.24 C ATOM 238 C LYS A 16 -4.039 9.374 -4.633 1.00 0.21 C ATOM 239 O LYS A 16 -3.138 9.660 -5.397 1.00 0.15 O ATOM 240 CB LYS A 16 -6.059 10.826 -4.404 1.00 0.33 C ATOM 241 CG LYS A 16 -6.485 11.797 -5.506 1.00 0.52 C ATOM 242 CD LYS A 16 -7.089 13.054 -4.875 1.00 0.73 C ATOM 243 CE LYS A 16 -8.614 12.930 -4.849 1.00 0.33 C ATOM 244 NZ LYS A 16 -9.144 13.026 -6.239 1.00 1.54 N ATOM 0 H LYS A 16 -7.074 8.601 -3.943 1.00 0.25 H new ATOM 0 HA LYS A 16 -5.578 9.616 -6.120 1.00 0.24 H new ATOM 0 HB2 LYS A 16 -6.909 10.590 -3.765 1.00 0.33 H new ATOM 0 HB3 LYS A 16 -5.302 11.288 -3.770 1.00 0.33 H new ATOM 0 HG2 LYS A 16 -5.626 12.063 -6.122 1.00 0.52 H new ATOM 0 HG3 LYS A 16 -7.213 11.321 -6.163 1.00 0.52 H new ATOM 0 HD2 LYS A 16 -6.707 13.185 -3.863 1.00 0.73 H new ATOM 0 HD3 LYS A 16 -6.795 13.936 -5.443 1.00 0.73 H new ATOM 0 HE2 LYS A 16 -8.905 11.979 -4.402 1.00 0.33 H new ATOM 0 HE3 LYS A 16 -9.043 13.718 -4.230 1.00 0.33 H new ATOM 0 HZ1 LYS A 16 -10.110 13.411 -6.216 1.00 1.54 H new ATOM 0 HZ2 LYS A 16 -8.534 13.654 -6.800 1.00 1.54 H new ATOM 0 HZ3 LYS A 16 -9.158 12.080 -6.671 1.00 1.54 H new ATOM 258 N THR A 17 -3.790 8.907 -3.440 1.00 0.27 N ATOM 259 CA THR A 17 -2.382 8.716 -2.993 1.00 0.30 C ATOM 260 C THR A 17 -1.689 7.703 -3.907 1.00 0.26 C ATOM 261 O THR A 17 -0.534 7.851 -4.250 1.00 0.33 O ATOM 262 CB THR A 17 -2.368 8.198 -1.553 1.00 0.37 C ATOM 263 OG1 THR A 17 -2.902 9.191 -0.689 1.00 0.58 O ATOM 264 CG2 THR A 17 -0.931 7.877 -1.138 1.00 0.66 C ATOM 0 H THR A 17 -4.501 8.650 -2.756 1.00 0.27 H new ATOM 0 HA THR A 17 -1.854 9.669 -3.041 1.00 0.30 H new ATOM 0 HB THR A 17 -2.973 7.294 -1.486 1.00 0.37 H new ATOM 0 HG1 THR A 17 -3.865 9.280 -0.848 1.00 0.58 H new ATOM 0 HG21 THR A 17 -0.922 7.508 -0.112 1.00 0.66 H new ATOM 0 HG22 THR A 17 -0.522 7.115 -1.801 1.00 0.66 H new ATOM 0 HG23 THR A 17 -0.323 8.779 -1.204 1.00 0.66 H new ATOM 272 N LEU A 18 -2.388 6.674 -4.304 1.00 0.21 N ATOM 273 CA LEU A 18 -1.769 5.654 -5.196 1.00 0.25 C ATOM 274 C LEU A 18 -1.298 6.324 -6.488 1.00 0.23 C ATOM 275 O LEU A 18 -0.226 6.045 -6.988 1.00 0.29 O ATOM 276 CB LEU A 18 -2.800 4.573 -5.529 1.00 0.25 C ATOM 277 CG LEU A 18 -3.426 4.048 -4.235 1.00 0.31 C ATOM 278 CD1 LEU A 18 -4.440 2.951 -4.566 1.00 0.33 C ATOM 279 CD2 LEU A 18 -2.330 3.471 -3.336 1.00 0.32 C ATOM 0 H LEU A 18 -3.360 6.496 -4.049 1.00 0.21 H new ATOM 0 HA LEU A 18 -0.917 5.200 -4.691 1.00 0.25 H new ATOM 0 HB2 LEU A 18 -3.573 4.981 -6.180 1.00 0.25 H new ATOM 0 HB3 LEU A 18 -2.324 3.757 -6.072 1.00 0.25 H new ATOM 0 HG LEU A 18 -3.929 4.865 -3.719 1.00 0.31 H new ATOM 0 HD11 LEU A 18 -4.886 2.577 -3.644 1.00 0.33 H new ATOM 0 HD12 LEU A 18 -5.221 3.359 -5.207 1.00 0.33 H new ATOM 0 HD13 LEU A 18 -3.936 2.134 -5.083 1.00 0.33 H new ATOM 0 HD21 LEU A 18 -2.775 3.097 -2.414 1.00 0.32 H new ATOM 0 HD22 LEU A 18 -1.827 2.654 -3.854 1.00 0.32 H new ATOM 0 HD23 LEU A 18 -1.606 4.251 -3.099 1.00 0.32 H new ATOM 291 N ASN A 19 -2.090 7.208 -7.031 1.00 0.15 N ATOM 292 CA ASN A 19 -1.685 7.895 -8.290 1.00 0.14 C ATOM 293 C ASN A 19 -0.406 8.698 -8.046 1.00 0.14 C ATOM 294 O ASN A 19 0.486 8.729 -8.871 1.00 0.20 O ATOM 295 CB ASN A 19 -2.803 8.840 -8.737 1.00 0.10 C ATOM 296 CG ASN A 19 -4.035 8.025 -9.132 1.00 0.15 C ATOM 297 OD1 ASN A 19 -4.299 6.986 -8.562 1.00 0.95 O ATOM 298 ND2 ASN A 19 -4.805 8.455 -10.094 1.00 1.03 N ATOM 0 H ASN A 19 -2.998 7.484 -6.658 1.00 0.15 H new ATOM 0 HA ASN A 19 -1.504 7.152 -9.067 1.00 0.14 H new ATOM 0 HB2 ASN A 19 -3.054 9.530 -7.931 1.00 0.10 H new ATOM 0 HB3 ASN A 19 -2.468 9.443 -9.581 1.00 0.10 H new ATOM 0 HD21 ASN A 19 -5.628 7.918 -10.367 1.00 1.03 H new ATOM 0 HD22 ASN A 19 -4.583 9.328 -10.573 1.00 1.03 H new ATOM 305 N SER A 20 -0.309 9.350 -6.920 1.00 0.14 N ATOM 306 CA SER A 20 0.913 10.151 -6.626 1.00 0.17 C ATOM 307 C SER A 20 2.124 9.221 -6.531 1.00 0.18 C ATOM 308 O SER A 20 3.184 9.510 -7.051 1.00 0.24 O ATOM 309 CB SER A 20 0.731 10.888 -5.299 1.00 0.16 C ATOM 310 OG SER A 20 -0.107 12.018 -5.501 1.00 0.39 O ATOM 0 H SER A 20 -1.023 9.363 -6.191 1.00 0.14 H new ATOM 0 HA SER A 20 1.074 10.874 -7.425 1.00 0.17 H new ATOM 0 HB2 SER A 20 0.290 10.222 -4.557 1.00 0.16 H new ATOM 0 HB3 SER A 20 1.699 11.203 -4.909 1.00 0.16 H new ATOM 0 HG SER A 20 -0.227 12.492 -4.652 1.00 0.39 H new ATOM 316 N LEU A 21 1.977 8.106 -5.869 1.00 0.13 N ATOM 317 CA LEU A 21 3.121 7.160 -5.740 1.00 0.17 C ATOM 318 C LEU A 21 3.563 6.699 -7.130 1.00 0.18 C ATOM 319 O LEU A 21 4.739 6.553 -7.401 1.00 0.34 O ATOM 320 CB LEU A 21 2.687 5.947 -4.913 1.00 0.17 C ATOM 321 CG LEU A 21 3.016 6.187 -3.438 1.00 0.28 C ATOM 322 CD1 LEU A 21 2.165 5.262 -2.568 1.00 0.12 C ATOM 323 CD2 LEU A 21 4.500 5.893 -3.185 1.00 0.69 C ATOM 0 H LEU A 21 1.115 7.809 -5.412 1.00 0.13 H new ATOM 0 HA LEU A 21 3.952 7.660 -5.244 1.00 0.17 H new ATOM 0 HB2 LEU A 21 1.617 5.775 -5.034 1.00 0.17 H new ATOM 0 HB3 LEU A 21 3.196 5.051 -5.268 1.00 0.17 H new ATOM 0 HG LEU A 21 2.803 7.226 -3.188 1.00 0.28 H new ATOM 0 HD11 LEU A 21 2.400 5.433 -1.517 1.00 0.12 H new ATOM 0 HD12 LEU A 21 1.109 5.468 -2.742 1.00 0.12 H new ATOM 0 HD13 LEU A 21 2.379 4.224 -2.823 1.00 0.12 H new ATOM 0 HD21 LEU A 21 4.731 6.065 -2.134 1.00 0.69 H new ATOM 0 HD22 LEU A 21 4.714 4.855 -3.438 1.00 0.69 H new ATOM 0 HD23 LEU A 21 5.112 6.550 -3.803 1.00 0.69 H new ATOM 335 N THR A 22 2.632 6.466 -8.014 1.00 0.06 N ATOM 336 CA THR A 22 3.003 6.014 -9.385 1.00 0.08 C ATOM 337 C THR A 22 3.764 7.131 -10.102 1.00 0.06 C ATOM 338 O THR A 22 4.615 6.881 -10.932 1.00 0.17 O ATOM 339 CB THR A 22 1.735 5.671 -10.170 1.00 0.15 C ATOM 340 OG1 THR A 22 0.691 6.557 -9.792 1.00 0.58 O ATOM 341 CG2 THR A 22 1.318 4.231 -9.870 1.00 0.77 C ATOM 0 H THR A 22 1.631 6.569 -7.847 1.00 0.06 H new ATOM 0 HA THR A 22 3.637 5.130 -9.317 1.00 0.08 H new ATOM 0 HB THR A 22 1.931 5.774 -11.237 1.00 0.15 H new ATOM 0 HG1 THR A 22 1.027 7.478 -9.793 1.00 0.58 H new ATOM 0 HG21 THR A 22 0.415 3.990 -10.430 1.00 0.77 H new ATOM 0 HG22 THR A 22 2.119 3.552 -10.162 1.00 0.77 H new ATOM 0 HG23 THR A 22 1.123 4.124 -8.803 1.00 0.77 H new ATOM 349 N GLU A 23 3.463 8.362 -9.791 1.00 0.06 N ATOM 350 CA GLU A 23 4.172 9.492 -10.458 1.00 0.10 C ATOM 351 C GLU A 23 5.646 9.481 -10.051 1.00 0.12 C ATOM 352 O GLU A 23 6.512 9.873 -10.809 1.00 0.18 O ATOM 353 CB GLU A 23 3.534 10.817 -10.033 1.00 0.13 C ATOM 354 CG GLU A 23 2.119 10.909 -10.606 1.00 0.37 C ATOM 355 CD GLU A 23 2.188 11.348 -12.070 1.00 1.29 C ATOM 356 OE1 GLU A 23 3.284 11.393 -12.603 1.00 2.21 O ATOM 357 OE2 GLU A 23 1.143 11.630 -12.634 1.00 2.01 O ATOM 0 H GLU A 23 2.759 8.634 -9.106 1.00 0.06 H new ATOM 0 HA GLU A 23 4.094 9.382 -11.540 1.00 0.10 H new ATOM 0 HB2 GLU A 23 3.503 10.885 -8.946 1.00 0.13 H new ATOM 0 HB3 GLU A 23 4.136 11.653 -10.388 1.00 0.13 H new ATOM 0 HG2 GLU A 23 1.620 9.943 -10.528 1.00 0.37 H new ATOM 0 HG3 GLU A 23 1.527 11.620 -10.030 1.00 0.37 H new ATOM 364 N GLN A 24 5.939 9.035 -8.861 1.00 0.11 N ATOM 365 CA GLN A 24 7.359 8.998 -8.406 1.00 0.17 C ATOM 366 C GLN A 24 7.957 7.625 -8.718 1.00 0.19 C ATOM 367 O GLN A 24 7.251 6.645 -8.843 1.00 0.30 O ATOM 368 CB GLN A 24 7.418 9.251 -6.898 1.00 0.20 C ATOM 369 CG GLN A 24 7.572 10.750 -6.636 1.00 0.45 C ATOM 370 CD GLN A 24 6.563 11.523 -7.488 1.00 1.79 C ATOM 371 OE1 GLN A 24 5.378 11.259 -7.436 1.00 2.79 O ATOM 372 NE2 GLN A 24 6.985 12.475 -8.274 1.00 2.45 N ATOM 0 H GLN A 24 5.257 8.694 -8.183 1.00 0.11 H new ATOM 0 HA GLN A 24 7.928 9.769 -8.925 1.00 0.17 H new ATOM 0 HB2 GLN A 24 6.511 8.879 -6.421 1.00 0.20 H new ATOM 0 HB3 GLN A 24 8.255 8.707 -6.460 1.00 0.20 H new ATOM 0 HG2 GLN A 24 7.411 10.964 -5.579 1.00 0.45 H new ATOM 0 HG3 GLN A 24 8.586 11.070 -6.875 1.00 0.45 H new ATOM 0 HE21 GLN A 24 7.980 12.697 -8.318 1.00 2.45 H new ATOM 0 HE22 GLN A 24 6.320 12.997 -8.845 1.00 2.45 H new ATOM 381 N LYS A 25 9.254 7.546 -8.843 1.00 0.25 N ATOM 382 CA LYS A 25 9.891 6.233 -9.148 1.00 0.26 C ATOM 383 C LYS A 25 11.289 6.182 -8.527 1.00 0.32 C ATOM 384 O LYS A 25 12.055 7.122 -8.616 1.00 0.85 O ATOM 385 CB LYS A 25 10.003 6.059 -10.664 1.00 0.38 C ATOM 386 CG LYS A 25 8.607 5.874 -11.264 1.00 0.34 C ATOM 387 CD LYS A 25 8.731 5.469 -12.734 1.00 0.58 C ATOM 388 CE LYS A 25 7.355 5.078 -13.274 1.00 0.82 C ATOM 389 NZ LYS A 25 7.346 5.216 -14.758 1.00 1.16 N ATOM 0 H LYS A 25 9.898 8.331 -8.748 1.00 0.25 H new ATOM 0 HA LYS A 25 9.280 5.432 -8.732 1.00 0.26 H new ATOM 0 HB2 LYS A 25 10.487 6.930 -11.105 1.00 0.38 H new ATOM 0 HB3 LYS A 25 10.627 5.196 -10.896 1.00 0.38 H new ATOM 0 HG2 LYS A 25 8.060 5.110 -10.711 1.00 0.34 H new ATOM 0 HG3 LYS A 25 8.037 6.799 -11.178 1.00 0.34 H new ATOM 0 HD2 LYS A 25 9.141 6.294 -13.316 1.00 0.58 H new ATOM 0 HD3 LYS A 25 9.424 4.633 -12.835 1.00 0.58 H new ATOM 0 HE2 LYS A 25 7.120 4.052 -12.992 1.00 0.82 H new ATOM 0 HE3 LYS A 25 6.586 5.713 -12.834 1.00 0.82 H new ATOM 0 HZ1 LYS A 25 6.410 4.950 -15.126 1.00 1.16 H new ATOM 0 HZ2 LYS A 25 7.552 6.202 -15.016 1.00 1.16 H new ATOM 0 HZ3 LYS A 25 8.069 4.592 -15.169 1.00 1.16 H new ATOM 403 N THR A 26 11.628 5.089 -7.900 1.00 0.32 N ATOM 404 CA THR A 26 12.975 4.967 -7.275 1.00 0.35 C ATOM 405 C THR A 26 13.451 3.517 -7.384 1.00 0.38 C ATOM 406 O THR A 26 12.705 2.641 -7.772 1.00 0.45 O ATOM 407 CB THR A 26 12.894 5.369 -5.801 1.00 0.32 C ATOM 408 OG1 THR A 26 12.320 4.305 -5.054 1.00 0.32 O ATOM 409 CG2 THR A 26 12.027 6.622 -5.656 1.00 0.26 C ATOM 0 H THR A 26 11.027 4.272 -7.793 1.00 0.32 H new ATOM 0 HA THR A 26 13.678 5.623 -7.789 1.00 0.35 H new ATOM 0 HB THR A 26 13.896 5.580 -5.426 1.00 0.32 H new ATOM 0 HG1 THR A 26 12.121 4.613 -4.145 1.00 0.32 H new ATOM 0 HG21 THR A 26 11.971 6.906 -4.605 1.00 0.26 H new ATOM 0 HG22 THR A 26 12.468 7.438 -6.229 1.00 0.26 H new ATOM 0 HG23 THR A 26 11.024 6.416 -6.030 1.00 0.26 H new ATOM 417 N LEU A 27 14.683 3.253 -7.046 1.00 0.38 N ATOM 418 CA LEU A 27 15.188 1.855 -7.136 1.00 0.40 C ATOM 419 C LEU A 27 14.475 0.991 -6.093 1.00 0.34 C ATOM 420 O LEU A 27 14.429 -0.219 -6.198 1.00 0.41 O ATOM 421 CB LEU A 27 16.707 1.836 -6.901 1.00 0.46 C ATOM 422 CG LEU A 27 17.028 2.003 -5.410 1.00 0.62 C ATOM 423 CD1 LEU A 27 17.306 0.630 -4.782 1.00 0.78 C ATOM 424 CD2 LEU A 27 18.275 2.881 -5.264 1.00 0.59 C ATOM 0 H LEU A 27 15.358 3.941 -6.713 1.00 0.38 H new ATOM 0 HA LEU A 27 14.985 1.453 -8.129 1.00 0.40 H new ATOM 0 HB2 LEU A 27 17.124 0.897 -7.265 1.00 0.46 H new ATOM 0 HB3 LEU A 27 17.178 2.637 -7.471 1.00 0.46 H new ATOM 0 HG LEU A 27 16.180 2.467 -4.906 1.00 0.62 H new ATOM 0 HD11 LEU A 27 17.533 0.754 -3.723 1.00 0.78 H new ATOM 0 HD12 LEU A 27 16.427 -0.005 -4.893 1.00 0.78 H new ATOM 0 HD13 LEU A 27 18.155 0.166 -5.284 1.00 0.78 H new ATOM 0 HD21 LEU A 27 18.511 3.005 -4.207 1.00 0.59 H new ATOM 0 HD22 LEU A 27 19.116 2.406 -5.770 1.00 0.59 H new ATOM 0 HD23 LEU A 27 18.087 3.857 -5.711 1.00 0.59 H new ATOM 436 N CYS A 28 13.916 1.607 -5.086 1.00 0.31 N ATOM 437 CA CYS A 28 13.201 0.828 -4.037 1.00 0.26 C ATOM 438 C CYS A 28 12.086 0.008 -4.688 1.00 0.24 C ATOM 439 O CYS A 28 11.489 -0.849 -4.069 1.00 0.28 O ATOM 440 CB CYS A 28 12.595 1.791 -3.013 1.00 0.20 C ATOM 441 SG CYS A 28 12.961 1.211 -1.338 1.00 0.19 S ATOM 0 H CYS A 28 13.924 2.617 -4.945 1.00 0.31 H new ATOM 0 HA CYS A 28 13.901 0.159 -3.536 1.00 0.26 H new ATOM 0 HB2 CYS A 28 13.000 2.793 -3.158 1.00 0.20 H new ATOM 0 HB3 CYS A 28 11.517 1.859 -3.157 1.00 0.20 H new ATOM 446 N THR A 29 11.802 0.267 -5.935 1.00 0.22 N ATOM 447 CA THR A 29 10.726 -0.495 -6.628 1.00 0.23 C ATOM 448 C THR A 29 11.252 -1.874 -7.026 1.00 0.30 C ATOM 449 O THR A 29 10.555 -2.866 -6.937 1.00 0.57 O ATOM 450 CB THR A 29 10.288 0.265 -7.883 1.00 0.20 C ATOM 451 OG1 THR A 29 11.382 0.361 -8.783 1.00 0.25 O ATOM 452 CG2 THR A 29 9.819 1.669 -7.496 1.00 0.15 C ATOM 0 H THR A 29 12.269 0.973 -6.504 1.00 0.22 H new ATOM 0 HA THR A 29 9.875 -0.610 -5.957 1.00 0.23 H new ATOM 0 HB THR A 29 9.468 -0.269 -8.363 1.00 0.20 H new ATOM 0 HG1 THR A 29 11.937 1.132 -8.542 1.00 0.25 H new ATOM 0 HG21 THR A 29 9.508 2.208 -8.391 1.00 0.15 H new ATOM 0 HG22 THR A 29 8.978 1.595 -6.806 1.00 0.15 H new ATOM 0 HG23 THR A 29 10.636 2.206 -7.015 1.00 0.15 H new ATOM 460 N GLU A 30 12.479 -1.947 -7.467 1.00 0.21 N ATOM 461 CA GLU A 30 13.049 -3.263 -7.871 1.00 0.28 C ATOM 462 C GLU A 30 12.863 -4.270 -6.733 1.00 0.35 C ATOM 463 O GLU A 30 12.883 -5.467 -6.941 1.00 0.67 O ATOM 464 CB GLU A 30 14.540 -3.103 -8.172 1.00 0.32 C ATOM 465 CG GLU A 30 14.718 -2.273 -9.445 1.00 0.24 C ATOM 466 CD GLU A 30 14.828 -3.207 -10.652 1.00 0.99 C ATOM 467 OE1 GLU A 30 14.290 -4.300 -10.582 1.00 2.05 O ATOM 468 OE2 GLU A 30 15.450 -2.814 -11.624 1.00 1.34 O ATOM 0 H GLU A 30 13.111 -1.152 -7.565 1.00 0.21 H new ATOM 0 HA GLU A 30 12.536 -3.623 -8.763 1.00 0.28 H new ATOM 0 HB2 GLU A 30 15.041 -2.616 -7.335 1.00 0.32 H new ATOM 0 HB3 GLU A 30 15.004 -4.082 -8.295 1.00 0.32 H new ATOM 0 HG2 GLU A 30 13.873 -1.596 -9.571 1.00 0.24 H new ATOM 0 HG3 GLU A 30 15.613 -1.655 -9.367 1.00 0.24 H new ATOM 475 N LEU A 31 12.682 -3.794 -5.532 1.00 0.09 N ATOM 476 CA LEU A 31 12.494 -4.725 -4.383 1.00 0.12 C ATOM 477 C LEU A 31 11.238 -5.568 -4.612 1.00 0.13 C ATOM 478 O LEU A 31 10.171 -5.051 -4.877 1.00 0.44 O ATOM 479 CB LEU A 31 12.338 -3.916 -3.093 1.00 0.12 C ATOM 480 CG LEU A 31 13.461 -2.883 -3.000 1.00 0.11 C ATOM 481 CD1 LEU A 31 13.314 -2.084 -1.704 1.00 0.12 C ATOM 482 CD2 LEU A 31 14.814 -3.597 -3.006 1.00 0.21 C ATOM 0 H LEU A 31 12.656 -2.802 -5.296 1.00 0.09 H new ATOM 0 HA LEU A 31 13.361 -5.380 -4.298 1.00 0.12 H new ATOM 0 HB2 LEU A 31 11.369 -3.417 -3.079 1.00 0.12 H new ATOM 0 HB3 LEU A 31 12.368 -4.580 -2.229 1.00 0.12 H new ATOM 0 HG LEU A 31 13.402 -2.207 -3.853 1.00 0.11 H new ATOM 0 HD11 LEU A 31 14.115 -1.348 -1.638 1.00 0.12 H new ATOM 0 HD12 LEU A 31 12.351 -1.574 -1.698 1.00 0.12 H new ATOM 0 HD13 LEU A 31 13.372 -2.760 -0.851 1.00 0.12 H new ATOM 0 HD21 LEU A 31 15.615 -2.860 -2.940 1.00 0.21 H new ATOM 0 HD22 LEU A 31 14.872 -4.274 -2.153 1.00 0.21 H new ATOM 0 HD23 LEU A 31 14.921 -4.167 -3.929 1.00 0.21 H new ATOM 494 N THR A 32 11.356 -6.863 -4.511 1.00 0.29 N ATOM 495 CA THR A 32 10.168 -7.738 -4.723 1.00 0.31 C ATOM 496 C THR A 32 9.399 -7.881 -3.408 1.00 0.33 C ATOM 497 O THR A 32 9.886 -8.449 -2.452 1.00 0.43 O ATOM 498 CB THR A 32 10.628 -9.118 -5.198 1.00 0.35 C ATOM 499 OG1 THR A 32 11.307 -9.779 -4.140 1.00 0.47 O ATOM 500 CG2 THR A 32 11.570 -8.961 -6.392 1.00 0.36 C ATOM 0 H THR A 32 12.223 -7.353 -4.291 1.00 0.29 H new ATOM 0 HA THR A 32 9.519 -7.293 -5.477 1.00 0.31 H new ATOM 0 HB THR A 32 9.761 -9.707 -5.498 1.00 0.35 H new ATOM 0 HG1 THR A 32 10.929 -9.495 -3.281 1.00 0.47 H new ATOM 0 HG21 THR A 32 11.897 -9.945 -6.729 1.00 0.36 H new ATOM 0 HG22 THR A 32 11.048 -8.454 -7.203 1.00 0.36 H new ATOM 0 HG23 THR A 32 12.438 -8.372 -6.096 1.00 0.36 H new ATOM 508 N VAL A 33 8.199 -7.369 -3.352 1.00 0.27 N ATOM 509 CA VAL A 33 7.401 -7.476 -2.100 1.00 0.28 C ATOM 510 C VAL A 33 6.664 -8.816 -2.078 1.00 0.30 C ATOM 511 O VAL A 33 6.795 -9.623 -2.977 1.00 0.32 O ATOM 512 CB VAL A 33 6.384 -6.334 -2.044 1.00 0.29 C ATOM 513 CG1 VAL A 33 7.072 -5.019 -2.409 1.00 0.26 C ATOM 514 CG2 VAL A 33 5.252 -6.610 -3.037 1.00 0.32 C ATOM 0 H VAL A 33 7.738 -6.881 -4.120 1.00 0.27 H new ATOM 0 HA VAL A 33 8.066 -7.413 -1.239 1.00 0.28 H new ATOM 0 HB VAL A 33 5.975 -6.262 -1.036 1.00 0.29 H new ATOM 0 HG11 VAL A 33 6.347 -4.206 -2.369 1.00 0.26 H new ATOM 0 HG12 VAL A 33 7.878 -4.822 -1.702 1.00 0.26 H new ATOM 0 HG13 VAL A 33 7.482 -5.090 -3.416 1.00 0.26 H new ATOM 0 HG21 VAL A 33 4.527 -5.797 -2.998 1.00 0.32 H new ATOM 0 HG22 VAL A 33 5.661 -6.683 -4.045 1.00 0.32 H new ATOM 0 HG23 VAL A 33 4.760 -7.547 -2.777 1.00 0.32 H new ATOM 524 N THR A 34 5.888 -9.062 -1.057 1.00 0.34 N ATOM 525 CA THR A 34 5.145 -10.351 -0.981 1.00 0.36 C ATOM 526 C THR A 34 3.772 -10.189 -1.637 1.00 0.39 C ATOM 527 O THR A 34 3.103 -9.190 -1.462 1.00 0.55 O ATOM 528 CB THR A 34 4.964 -10.750 0.487 1.00 0.37 C ATOM 529 OG1 THR A 34 6.208 -11.193 1.011 1.00 0.45 O ATOM 530 CG2 THR A 34 3.934 -11.876 0.587 1.00 0.44 C ATOM 0 H THR A 34 5.737 -8.426 -0.274 1.00 0.34 H new ATOM 0 HA THR A 34 5.708 -11.125 -1.502 1.00 0.36 H new ATOM 0 HB THR A 34 4.614 -9.890 1.059 1.00 0.37 H new ATOM 0 HG1 THR A 34 6.095 -11.447 1.951 1.00 0.45 H new ATOM 0 HG21 THR A 34 3.805 -12.160 1.632 1.00 0.44 H new ATOM 0 HG22 THR A 34 2.981 -11.534 0.184 1.00 0.44 H new ATOM 0 HG23 THR A 34 4.281 -12.738 0.017 1.00 0.44 H new ATOM 538 N ASP A 35 3.347 -11.164 -2.392 1.00 0.31 N ATOM 539 CA ASP A 35 2.019 -11.065 -3.059 1.00 0.34 C ATOM 540 C ASP A 35 0.948 -11.677 -2.154 1.00 0.47 C ATOM 541 O ASP A 35 1.006 -12.839 -1.805 1.00 1.07 O ATOM 542 CB ASP A 35 2.057 -11.823 -4.388 1.00 0.33 C ATOM 543 CG ASP A 35 0.921 -11.335 -5.289 1.00 0.36 C ATOM 544 OD1 ASP A 35 -0.202 -11.280 -4.814 1.00 0.71 O ATOM 545 OD2 ASP A 35 1.192 -11.023 -6.436 1.00 1.35 O ATOM 0 H ASP A 35 3.862 -12.025 -2.576 1.00 0.31 H new ATOM 0 HA ASP A 35 1.783 -10.017 -3.245 1.00 0.34 H new ATOM 0 HB2 ASP A 35 3.017 -11.667 -4.880 1.00 0.33 H new ATOM 0 HB3 ASP A 35 1.960 -12.894 -4.210 1.00 0.33 H new ATOM 550 N ILE A 36 -0.030 -10.903 -1.770 1.00 0.16 N ATOM 551 CA ILE A 36 -1.103 -11.441 -0.887 1.00 0.21 C ATOM 552 C ILE A 36 -2.260 -11.956 -1.745 1.00 0.20 C ATOM 553 O ILE A 36 -3.038 -12.787 -1.321 1.00 0.18 O ATOM 554 CB ILE A 36 -1.607 -10.331 0.037 1.00 0.31 C ATOM 555 CG1 ILE A 36 -1.932 -9.084 -0.791 1.00 0.36 C ATOM 556 CG2 ILE A 36 -0.524 -9.990 1.063 1.00 0.61 C ATOM 557 CD1 ILE A 36 -2.690 -8.078 0.076 1.00 0.55 C ATOM 0 H ILE A 36 -0.132 -9.922 -2.029 1.00 0.16 H new ATOM 0 HA ILE A 36 -0.704 -12.259 -0.288 1.00 0.21 H new ATOM 0 HB ILE A 36 -2.505 -10.670 0.553 1.00 0.31 H new ATOM 0 HG12 ILE A 36 -1.013 -8.635 -1.168 1.00 0.36 H new ATOM 0 HG13 ILE A 36 -2.532 -9.357 -1.659 1.00 0.36 H new ATOM 0 HG21 ILE A 36 -0.883 -9.199 1.722 1.00 0.61 H new ATOM 0 HG22 ILE A 36 -0.290 -10.876 1.654 1.00 0.61 H new ATOM 0 HG23 ILE A 36 0.374 -9.652 0.546 1.00 0.61 H new ATOM 0 HD11 ILE A 36 -2.921 -7.191 -0.514 1.00 0.55 H new ATOM 0 HD12 ILE A 36 -3.617 -8.529 0.431 1.00 0.55 H new ATOM 0 HD13 ILE A 36 -2.073 -7.796 0.929 1.00 0.55 H new ATOM 569 N PHE A 37 -2.381 -11.468 -2.950 1.00 0.22 N ATOM 570 CA PHE A 37 -3.488 -11.930 -3.834 1.00 0.23 C ATOM 571 C PHE A 37 -3.131 -13.293 -4.429 1.00 0.25 C ATOM 572 O PHE A 37 -3.975 -13.995 -4.950 1.00 0.30 O ATOM 573 CB PHE A 37 -3.696 -10.919 -4.963 1.00 0.25 C ATOM 574 CG PHE A 37 -3.923 -9.546 -4.376 1.00 0.18 C ATOM 575 CD1 PHE A 37 -5.162 -9.223 -3.810 1.00 0.25 C ATOM 576 CD2 PHE A 37 -2.894 -8.598 -4.396 1.00 0.19 C ATOM 577 CE1 PHE A 37 -5.372 -7.950 -3.266 1.00 0.30 C ATOM 578 CE2 PHE A 37 -3.104 -7.325 -3.851 1.00 0.22 C ATOM 579 CZ PHE A 37 -4.343 -7.002 -3.286 1.00 0.26 C ATOM 0 H PHE A 37 -1.761 -10.770 -3.360 1.00 0.22 H new ATOM 0 HA PHE A 37 -4.405 -12.017 -3.251 1.00 0.23 H new ATOM 0 HB2 PHE A 37 -2.825 -10.906 -5.619 1.00 0.25 H new ATOM 0 HB3 PHE A 37 -4.551 -11.211 -5.574 1.00 0.25 H new ATOM 0 HD1 PHE A 37 -5.956 -9.955 -3.793 1.00 0.25 H new ATOM 0 HD2 PHE A 37 -1.938 -8.848 -4.832 1.00 0.19 H new ATOM 0 HE1 PHE A 37 -6.328 -7.700 -2.831 1.00 0.30 H new ATOM 0 HE2 PHE A 37 -2.310 -6.593 -3.867 1.00 0.22 H new ATOM 0 HZ PHE A 37 -4.505 -6.021 -2.865 1.00 0.26 H new ATOM 589 N ALA A 38 -1.885 -13.674 -4.355 1.00 0.25 N ATOM 590 CA ALA A 38 -1.475 -14.992 -4.917 1.00 0.27 C ATOM 591 C ALA A 38 -2.003 -16.114 -4.022 1.00 0.22 C ATOM 592 O ALA A 38 -1.722 -17.277 -4.236 1.00 0.21 O ATOM 593 CB ALA A 38 0.052 -15.066 -4.979 1.00 0.29 C ATOM 0 H ALA A 38 -1.134 -13.130 -3.930 1.00 0.25 H new ATOM 0 HA ALA A 38 -1.886 -15.103 -5.920 1.00 0.27 H new ATOM 0 HB1 ALA A 38 0.353 -16.030 -5.390 1.00 0.29 H new ATOM 0 HB2 ALA A 38 0.429 -14.266 -5.616 1.00 0.29 H new ATOM 0 HB3 ALA A 38 0.463 -14.955 -3.975 1.00 0.29 H new ATOM 599 N ALA A 39 -2.768 -15.777 -3.020 1.00 0.22 N ATOM 600 CA ALA A 39 -3.315 -16.825 -2.113 1.00 0.17 C ATOM 601 C ALA A 39 -4.452 -16.232 -1.277 1.00 0.34 C ATOM 602 O ALA A 39 -4.237 -15.717 -0.197 1.00 1.00 O ATOM 603 CB ALA A 39 -2.206 -17.325 -1.185 1.00 0.43 C ATOM 0 H ALA A 39 -3.038 -14.821 -2.790 1.00 0.22 H new ATOM 0 HA ALA A 39 -3.695 -17.657 -2.705 1.00 0.17 H new ATOM 0 HB1 ALA A 39 -2.605 -18.092 -0.521 1.00 0.43 H new ATOM 0 HB2 ALA A 39 -1.396 -17.746 -1.780 1.00 0.43 H new ATOM 0 HB3 ALA A 39 -1.826 -16.494 -0.592 1.00 0.43 H new ATOM 609 N SER A 40 -5.660 -16.303 -1.766 1.00 0.59 N ATOM 610 CA SER A 40 -6.808 -15.744 -0.998 1.00 0.63 C ATOM 611 C SER A 40 -8.060 -16.580 -1.272 1.00 0.46 C ATOM 612 O SER A 40 -8.865 -16.249 -2.120 1.00 0.70 O ATOM 613 CB SER A 40 -7.055 -14.299 -1.430 1.00 0.77 C ATOM 614 OG SER A 40 -6.667 -14.143 -2.790 1.00 1.53 O ATOM 0 H SER A 40 -5.901 -16.724 -2.663 1.00 0.59 H new ATOM 0 HA SER A 40 -6.580 -15.770 0.068 1.00 0.63 H new ATOM 0 HB2 SER A 40 -8.108 -14.046 -1.309 1.00 0.77 H new ATOM 0 HB3 SER A 40 -6.488 -13.616 -0.797 1.00 0.77 H new ATOM 0 HG SER A 40 -6.826 -13.218 -3.071 1.00 1.53 H new ATOM 620 N LYS A 41 -8.230 -17.662 -0.562 1.00 0.61 N ATOM 621 CA LYS A 41 -9.430 -18.516 -0.783 1.00 0.43 C ATOM 622 C LYS A 41 -10.572 -18.034 0.114 1.00 0.28 C ATOM 623 O LYS A 41 -11.584 -17.555 -0.357 1.00 0.19 O ATOM 624 CB LYS A 41 -9.091 -19.969 -0.442 1.00 0.61 C ATOM 625 CG LYS A 41 -7.622 -20.243 -0.773 1.00 0.64 C ATOM 626 CD LYS A 41 -7.343 -21.742 -0.656 1.00 0.96 C ATOM 627 CE LYS A 41 -5.937 -21.957 -0.094 1.00 1.42 C ATOM 628 NZ LYS A 41 -4.994 -20.997 -0.734 1.00 1.21 N ATOM 0 H LYS A 41 -7.590 -17.991 0.161 1.00 0.61 H new ATOM 0 HA LYS A 41 -9.736 -18.450 -1.827 1.00 0.43 H new ATOM 0 HB2 LYS A 41 -9.278 -20.158 0.615 1.00 0.61 H new ATOM 0 HB3 LYS A 41 -9.734 -20.645 -1.006 1.00 0.61 H new ATOM 0 HG2 LYS A 41 -7.395 -19.898 -1.782 1.00 0.64 H new ATOM 0 HG3 LYS A 41 -6.976 -19.688 -0.093 1.00 0.64 H new ATOM 0 HD2 LYS A 41 -8.082 -22.210 -0.006 1.00 0.96 H new ATOM 0 HD3 LYS A 41 -7.432 -22.217 -1.633 1.00 0.96 H new ATOM 0 HE2 LYS A 41 -5.940 -21.815 0.987 1.00 1.42 H new ATOM 0 HE3 LYS A 41 -5.612 -22.981 -0.280 1.00 1.42 H new ATOM 0 HZ1 LYS A 41 -4.032 -21.392 -0.716 1.00 1.21 H new ATOM 0 HZ2 LYS A 41 -5.283 -20.832 -1.719 1.00 1.21 H new ATOM 0 HZ3 LYS A 41 -5.009 -20.097 -0.213 1.00 1.21 H new ATOM 642 N ASP A 42 -10.418 -18.158 1.405 1.00 0.32 N ATOM 643 CA ASP A 42 -11.496 -17.707 2.330 1.00 0.32 C ATOM 644 C ASP A 42 -11.233 -16.258 2.749 1.00 0.19 C ATOM 645 O ASP A 42 -12.115 -15.571 3.223 1.00 0.60 O ATOM 646 CB ASP A 42 -11.511 -18.602 3.570 1.00 0.63 C ATOM 647 CG ASP A 42 -10.471 -18.103 4.574 1.00 2.10 C ATOM 648 OD1 ASP A 42 -9.304 -18.406 4.389 1.00 2.60 O ATOM 649 OD2 ASP A 42 -10.858 -17.426 5.512 1.00 3.35 O ATOM 0 H ASP A 42 -9.593 -18.552 1.858 1.00 0.32 H new ATOM 0 HA ASP A 42 -12.460 -17.771 1.825 1.00 0.32 H new ATOM 0 HB2 ASP A 42 -12.502 -18.596 4.024 1.00 0.63 H new ATOM 0 HB3 ASP A 42 -11.295 -19.633 3.290 1.00 0.63 H new ATOM 654 N THR A 43 -10.027 -15.791 2.580 1.00 0.48 N ATOM 655 CA THR A 43 -9.710 -14.388 2.970 1.00 0.50 C ATOM 656 C THR A 43 -10.726 -13.439 2.332 1.00 0.47 C ATOM 657 O THR A 43 -10.885 -13.402 1.128 1.00 0.58 O ATOM 658 CB THR A 43 -8.303 -14.029 2.485 1.00 0.56 C ATOM 659 OG1 THR A 43 -8.238 -14.176 1.074 1.00 0.55 O ATOM 660 CG2 THR A 43 -7.282 -14.957 3.144 1.00 0.66 C ATOM 0 H THR A 43 -9.247 -16.320 2.189 1.00 0.48 H new ATOM 0 HA THR A 43 -9.756 -14.294 4.055 1.00 0.50 H new ATOM 0 HB THR A 43 -8.078 -12.997 2.753 1.00 0.56 H new ATOM 0 HG1 THR A 43 -9.132 -14.054 0.691 1.00 0.55 H new ATOM 0 HG21 THR A 43 -6.281 -14.701 2.798 1.00 0.66 H new ATOM 0 HG22 THR A 43 -7.332 -14.843 4.227 1.00 0.66 H new ATOM 0 HG23 THR A 43 -7.504 -15.990 2.878 1.00 0.66 H new ATOM 668 N THR A 44 -11.418 -12.671 3.130 1.00 0.34 N ATOM 669 CA THR A 44 -12.423 -11.726 2.568 1.00 0.37 C ATOM 670 C THR A 44 -11.755 -10.378 2.288 1.00 0.30 C ATOM 671 O THR A 44 -10.565 -10.215 2.471 1.00 0.21 O ATOM 672 CB THR A 44 -13.560 -11.532 3.574 1.00 0.39 C ATOM 673 OG1 THR A 44 -13.219 -10.489 4.475 1.00 0.63 O ATOM 674 CG2 THR A 44 -13.781 -12.830 4.353 1.00 1.12 C ATOM 0 H THR A 44 -11.330 -12.658 4.146 1.00 0.34 H new ATOM 0 HA THR A 44 -12.824 -12.133 1.640 1.00 0.37 H new ATOM 0 HB THR A 44 -14.475 -11.269 3.043 1.00 0.39 H new ATOM 0 HG1 THR A 44 -13.947 -10.362 5.119 1.00 0.63 H new ATOM 0 HG21 THR A 44 -14.591 -12.691 5.069 1.00 1.12 H new ATOM 0 HG22 THR A 44 -14.042 -13.630 3.660 1.00 1.12 H new ATOM 0 HG23 THR A 44 -12.867 -13.095 4.885 1.00 1.12 H new ATOM 682 N GLU A 45 -12.511 -9.410 1.846 1.00 0.38 N ATOM 683 CA GLU A 45 -11.918 -8.075 1.556 1.00 0.37 C ATOM 684 C GLU A 45 -11.270 -7.518 2.825 1.00 0.34 C ATOM 685 O GLU A 45 -10.362 -6.712 2.767 1.00 0.39 O ATOM 686 CB GLU A 45 -13.017 -7.120 1.083 1.00 0.45 C ATOM 687 CG GLU A 45 -13.822 -7.783 -0.036 1.00 0.78 C ATOM 688 CD GLU A 45 -15.250 -8.045 0.448 1.00 0.87 C ATOM 689 OE1 GLU A 45 -15.993 -7.087 0.582 1.00 0.98 O ATOM 690 OE2 GLU A 45 -15.574 -9.199 0.676 1.00 2.01 O ATOM 0 H GLU A 45 -13.513 -9.487 1.673 1.00 0.38 H new ATOM 0 HA GLU A 45 -11.163 -8.175 0.776 1.00 0.37 H new ATOM 0 HB2 GLU A 45 -13.673 -6.863 1.915 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -12.576 -6.189 0.726 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -13.837 -7.141 -0.917 1.00 0.78 H new ATOM 0 HG3 GLU A 45 -13.350 -8.720 -0.332 1.00 0.78 H new ATOM 697 N LYS A 46 -11.727 -7.942 3.971 1.00 0.44 N ATOM 698 CA LYS A 46 -11.137 -7.437 5.242 1.00 0.40 C ATOM 699 C LYS A 46 -9.688 -7.915 5.357 1.00 0.32 C ATOM 700 O LYS A 46 -8.763 -7.128 5.372 1.00 0.36 O ATOM 701 CB LYS A 46 -11.946 -7.969 6.427 1.00 0.46 C ATOM 702 CG LYS A 46 -13.270 -7.211 6.524 1.00 0.41 C ATOM 703 CD LYS A 46 -13.191 -6.184 7.654 1.00 0.33 C ATOM 704 CE LYS A 46 -14.473 -5.349 7.678 1.00 0.60 C ATOM 705 NZ LYS A 46 -15.455 -5.922 6.715 1.00 1.90 N ATOM 0 H LYS A 46 -12.484 -8.617 4.082 1.00 0.44 H new ATOM 0 HA LYS A 46 -11.161 -6.347 5.246 1.00 0.40 H new ATOM 0 HB2 LYS A 46 -12.134 -9.035 6.303 1.00 0.46 H new ATOM 0 HB3 LYS A 46 -11.379 -7.851 7.350 1.00 0.46 H new ATOM 0 HG2 LYS A 46 -13.485 -6.712 5.579 1.00 0.41 H new ATOM 0 HG3 LYS A 46 -14.087 -7.908 6.709 1.00 0.41 H new ATOM 0 HD2 LYS A 46 -13.056 -6.690 8.610 1.00 0.33 H new ATOM 0 HD3 LYS A 46 -12.326 -5.537 7.511 1.00 0.33 H new ATOM 0 HE2 LYS A 46 -14.895 -5.340 8.683 1.00 0.60 H new ATOM 0 HE3 LYS A 46 -14.251 -4.314 7.416 1.00 0.60 H new ATOM 0 HZ1 LYS A 46 -16.380 -5.466 6.850 1.00 1.90 H new ATOM 0 HZ2 LYS A 46 -15.125 -5.756 5.743 1.00 1.90 H new ATOM 0 HZ3 LYS A 46 -15.546 -6.945 6.880 1.00 1.90 H new ATOM 719 N GLU A 47 -9.483 -9.202 5.438 1.00 0.28 N ATOM 720 CA GLU A 47 -8.094 -9.729 5.551 1.00 0.26 C ATOM 721 C GLU A 47 -7.251 -9.201 4.389 1.00 0.23 C ATOM 722 O GLU A 47 -6.038 -9.263 4.411 1.00 0.26 O ATOM 723 CB GLU A 47 -8.124 -11.259 5.505 1.00 0.39 C ATOM 724 CG GLU A 47 -8.948 -11.789 6.680 1.00 0.38 C ATOM 725 CD GLU A 47 -8.093 -11.778 7.949 1.00 1.09 C ATOM 726 OE1 GLU A 47 -7.164 -12.565 8.022 1.00 1.85 O ATOM 727 OE2 GLU A 47 -8.382 -10.981 8.827 1.00 2.27 O ATOM 0 H GLU A 47 -10.217 -9.910 5.431 1.00 0.28 H new ATOM 0 HA GLU A 47 -7.657 -9.402 6.494 1.00 0.26 H new ATOM 0 HB2 GLU A 47 -8.556 -11.597 4.563 1.00 0.39 H new ATOM 0 HB3 GLU A 47 -7.109 -11.655 5.551 1.00 0.39 H new ATOM 0 HG2 GLU A 47 -9.836 -11.174 6.822 1.00 0.38 H new ATOM 0 HG3 GLU A 47 -9.292 -12.802 6.469 1.00 0.38 H new ATOM 734 N THR A 48 -7.884 -8.680 3.374 1.00 0.21 N ATOM 735 CA THR A 48 -7.117 -8.148 2.212 1.00 0.27 C ATOM 736 C THR A 48 -6.454 -6.825 2.600 1.00 0.25 C ATOM 737 O THR A 48 -5.252 -6.673 2.514 1.00 0.28 O ATOM 738 CB THR A 48 -8.068 -7.916 1.035 1.00 0.29 C ATOM 739 OG1 THR A 48 -8.967 -9.013 0.932 1.00 0.29 O ATOM 740 CG2 THR A 48 -7.262 -7.791 -0.259 1.00 0.35 C ATOM 0 H THR A 48 -8.898 -8.600 3.299 1.00 0.21 H new ATOM 0 HA THR A 48 -6.351 -8.867 1.924 1.00 0.27 H new ATOM 0 HB THR A 48 -8.631 -6.997 1.198 1.00 0.29 H new ATOM 0 HG1 THR A 48 -9.466 -9.107 1.770 1.00 0.29 H new ATOM 0 HG21 THR A 48 -7.941 -7.626 -1.096 1.00 0.35 H new ATOM 0 HG22 THR A 48 -6.573 -6.950 -0.179 1.00 0.35 H new ATOM 0 HG23 THR A 48 -6.697 -8.708 -0.426 1.00 0.35 H new ATOM 748 N PHE A 49 -7.229 -5.865 3.026 1.00 0.24 N ATOM 749 CA PHE A 49 -6.642 -4.552 3.419 1.00 0.25 C ATOM 750 C PHE A 49 -5.627 -4.764 4.544 1.00 0.25 C ATOM 751 O PHE A 49 -4.671 -4.025 4.678 1.00 0.34 O ATOM 752 CB PHE A 49 -7.754 -3.621 3.904 1.00 0.22 C ATOM 753 CG PHE A 49 -8.807 -3.490 2.830 1.00 0.18 C ATOM 754 CD1 PHE A 49 -8.528 -2.770 1.661 1.00 0.29 C ATOM 755 CD2 PHE A 49 -10.061 -4.089 3.000 1.00 0.08 C ATOM 756 CE1 PHE A 49 -9.503 -2.648 0.664 1.00 0.27 C ATOM 757 CE2 PHE A 49 -11.036 -3.967 2.003 1.00 0.12 C ATOM 758 CZ PHE A 49 -10.758 -3.246 0.835 1.00 0.18 C ATOM 0 H PHE A 49 -8.242 -5.933 3.119 1.00 0.24 H new ATOM 0 HA PHE A 49 -6.143 -4.105 2.559 1.00 0.25 H new ATOM 0 HB2 PHE A 49 -8.199 -4.014 4.818 1.00 0.22 H new ATOM 0 HB3 PHE A 49 -7.342 -2.641 4.146 1.00 0.22 H new ATOM 0 HD1 PHE A 49 -7.560 -2.309 1.529 1.00 0.29 H new ATOM 0 HD2 PHE A 49 -10.276 -4.645 3.900 1.00 0.08 H new ATOM 0 HE1 PHE A 49 -9.288 -2.093 -0.237 1.00 0.27 H new ATOM 0 HE2 PHE A 49 -12.003 -4.429 2.135 1.00 0.12 H new ATOM 0 HZ PHE A 49 -11.511 -3.151 0.067 1.00 0.18 H new ATOM 768 N CYS A 50 -5.825 -5.767 5.355 1.00 0.17 N ATOM 769 CA CYS A 50 -4.870 -6.022 6.471 1.00 0.17 C ATOM 770 C CYS A 50 -3.589 -6.645 5.913 1.00 0.13 C ATOM 771 O CYS A 50 -2.517 -6.083 6.021 1.00 0.09 O ATOM 772 CB CYS A 50 -5.507 -6.983 7.477 1.00 0.23 C ATOM 773 SG CYS A 50 -4.244 -7.570 8.633 1.00 0.49 S ATOM 0 H CYS A 50 -6.606 -6.420 5.293 1.00 0.17 H new ATOM 0 HA CYS A 50 -4.631 -5.081 6.967 1.00 0.17 H new ATOM 0 HB2 CYS A 50 -6.307 -6.480 8.020 1.00 0.23 H new ATOM 0 HB3 CYS A 50 -5.958 -7.827 6.955 1.00 0.23 H new ATOM 778 N ARG A 51 -3.690 -7.803 5.319 1.00 0.15 N ATOM 779 CA ARG A 51 -2.477 -8.459 4.756 1.00 0.16 C ATOM 780 C ARG A 51 -1.698 -7.450 3.907 1.00 0.12 C ATOM 781 O ARG A 51 -0.491 -7.351 3.995 1.00 0.14 O ATOM 782 CB ARG A 51 -2.896 -9.644 3.884 1.00 0.21 C ATOM 783 CG ARG A 51 -3.408 -10.777 4.774 1.00 0.22 C ATOM 784 CD ARG A 51 -3.899 -11.933 3.900 1.00 0.30 C ATOM 785 NE ARG A 51 -5.064 -11.480 3.088 1.00 2.06 N ATOM 786 CZ ARG A 51 -5.459 -12.186 2.064 1.00 2.44 C ATOM 787 NH1 ARG A 51 -4.834 -13.287 1.750 1.00 1.33 N ATOM 788 NH2 ARG A 51 -6.481 -11.790 1.355 1.00 4.05 N ATOM 0 H ARG A 51 -4.560 -8.322 5.200 1.00 0.15 H new ATOM 0 HA ARG A 51 -1.845 -8.813 5.570 1.00 0.16 H new ATOM 0 HB2 ARG A 51 -3.674 -9.337 3.184 1.00 0.21 H new ATOM 0 HB3 ARG A 51 -2.050 -9.989 3.289 1.00 0.21 H new ATOM 0 HG2 ARG A 51 -2.613 -11.120 5.436 1.00 0.22 H new ATOM 0 HG3 ARG A 51 -4.218 -10.417 5.408 1.00 0.22 H new ATOM 0 HD2 ARG A 51 -3.097 -12.275 3.246 1.00 0.30 H new ATOM 0 HD3 ARG A 51 -4.184 -12.780 4.524 1.00 0.30 H new ATOM 0 HE ARG A 51 -5.552 -10.619 3.333 1.00 2.06 H new ATOM 0 HH11 ARG A 51 -4.036 -13.597 2.305 1.00 1.33 H new ATOM 0 HH12 ARG A 51 -5.143 -13.838 0.950 1.00 1.33 H new ATOM 0 HH21 ARG A 51 -6.970 -10.929 1.602 1.00 4.05 H new ATOM 0 HH22 ARG A 51 -6.791 -12.341 0.554 1.00 4.05 H new ATOM 802 N ALA A 52 -2.382 -6.701 3.085 1.00 0.11 N ATOM 803 CA ALA A 52 -1.682 -5.700 2.232 1.00 0.14 C ATOM 804 C ALA A 52 -0.915 -4.720 3.122 1.00 0.13 C ATOM 805 O ALA A 52 0.242 -4.431 2.889 1.00 0.13 O ATOM 806 CB ALA A 52 -2.710 -4.933 1.398 1.00 0.21 C ATOM 0 H ALA A 52 -3.395 -6.739 2.968 1.00 0.11 H new ATOM 0 HA ALA A 52 -0.985 -6.212 1.569 1.00 0.14 H new ATOM 0 HB1 ALA A 52 -2.198 -4.200 0.774 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -3.258 -5.630 0.764 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -3.407 -4.421 2.061 1.00 0.21 H new ATOM 812 N ALA A 53 -1.548 -4.208 4.141 1.00 0.17 N ATOM 813 CA ALA A 53 -0.855 -3.249 5.045 1.00 0.20 C ATOM 814 C ALA A 53 0.351 -3.936 5.690 1.00 0.18 C ATOM 815 O ALA A 53 1.412 -3.357 5.820 1.00 0.20 O ATOM 816 CB ALA A 53 -1.821 -2.784 6.137 1.00 0.25 C ATOM 0 H ALA A 53 -2.517 -4.413 4.387 1.00 0.17 H new ATOM 0 HA ALA A 53 -0.518 -2.387 4.469 1.00 0.20 H new ATOM 0 HB1 ALA A 53 -1.312 -2.082 6.798 1.00 0.25 H new ATOM 0 HB2 ALA A 53 -2.680 -2.294 5.678 1.00 0.25 H new ATOM 0 HB3 ALA A 53 -2.160 -3.645 6.714 1.00 0.25 H new ATOM 822 N THR A 54 0.196 -5.167 6.095 1.00 0.17 N ATOM 823 CA THR A 54 1.333 -5.890 6.731 1.00 0.16 C ATOM 824 C THR A 54 2.569 -5.785 5.834 1.00 0.14 C ATOM 825 O THR A 54 3.656 -5.490 6.291 1.00 0.20 O ATOM 826 CB THR A 54 0.962 -7.364 6.916 1.00 0.13 C ATOM 827 OG1 THR A 54 -0.271 -7.453 7.618 1.00 0.12 O ATOM 828 CG2 THR A 54 2.058 -8.073 7.712 1.00 0.14 C ATOM 0 H THR A 54 -0.668 -5.703 6.013 1.00 0.17 H new ATOM 0 HA THR A 54 1.549 -5.445 7.702 1.00 0.16 H new ATOM 0 HB THR A 54 0.862 -7.840 5.941 1.00 0.13 H new ATOM 0 HG1 THR A 54 -0.513 -8.395 7.737 1.00 0.12 H new ATOM 0 HG21 THR A 54 1.792 -9.122 7.843 1.00 0.14 H new ATOM 0 HG22 THR A 54 3.003 -8.003 7.173 1.00 0.14 H new ATOM 0 HG23 THR A 54 2.162 -7.601 8.689 1.00 0.14 H new ATOM 836 N VAL A 55 2.412 -6.024 4.561 1.00 0.07 N ATOM 837 CA VAL A 55 3.578 -5.938 3.637 1.00 0.04 C ATOM 838 C VAL A 55 4.146 -4.517 3.665 1.00 0.04 C ATOM 839 O VAL A 55 5.301 -4.307 3.977 1.00 0.06 O ATOM 840 CB VAL A 55 3.128 -6.280 2.216 1.00 0.04 C ATOM 841 CG1 VAL A 55 4.281 -6.030 1.241 1.00 0.18 C ATOM 842 CG2 VAL A 55 2.719 -7.752 2.153 1.00 0.19 C ATOM 0 H VAL A 55 1.527 -6.275 4.121 1.00 0.07 H new ATOM 0 HA VAL A 55 4.347 -6.643 3.954 1.00 0.04 H new ATOM 0 HB VAL A 55 2.279 -5.653 1.943 1.00 0.04 H new ATOM 0 HG11 VAL A 55 3.960 -6.274 0.228 1.00 0.18 H new ATOM 0 HG12 VAL A 55 4.575 -4.981 1.286 1.00 0.18 H new ATOM 0 HG13 VAL A 55 5.130 -6.657 1.513 1.00 0.18 H new ATOM 0 HG21 VAL A 55 2.398 -7.997 1.141 1.00 0.19 H new ATOM 0 HG22 VAL A 55 3.569 -8.378 2.426 1.00 0.19 H new ATOM 0 HG23 VAL A 55 1.898 -7.932 2.847 1.00 0.19 H new ATOM 852 N LEU A 56 3.343 -3.541 3.341 1.00 0.04 N ATOM 853 CA LEU A 56 3.839 -2.136 3.348 1.00 0.04 C ATOM 854 C LEU A 56 4.576 -1.863 4.661 1.00 0.02 C ATOM 855 O LEU A 56 5.518 -1.098 4.708 1.00 0.03 O ATOM 856 CB LEU A 56 2.653 -1.176 3.219 1.00 0.08 C ATOM 857 CG LEU A 56 1.818 -1.552 1.994 1.00 0.19 C ATOM 858 CD1 LEU A 56 0.633 -0.592 1.869 1.00 0.18 C ATOM 859 CD2 LEU A 56 2.685 -1.454 0.735 1.00 0.27 C ATOM 0 H LEU A 56 2.366 -3.656 3.072 1.00 0.04 H new ATOM 0 HA LEU A 56 4.520 -1.986 2.511 1.00 0.04 H new ATOM 0 HB2 LEU A 56 2.038 -1.219 4.118 1.00 0.08 H new ATOM 0 HB3 LEU A 56 3.011 -0.151 3.127 1.00 0.08 H new ATOM 0 HG LEU A 56 1.451 -2.572 2.106 1.00 0.19 H new ATOM 0 HD11 LEU A 56 0.038 -0.860 0.996 1.00 0.18 H new ATOM 0 HD12 LEU A 56 0.015 -0.659 2.764 1.00 0.18 H new ATOM 0 HD13 LEU A 56 1.001 0.428 1.758 1.00 0.18 H new ATOM 0 HD21 LEU A 56 2.090 -1.722 -0.138 1.00 0.27 H new ATOM 0 HD22 LEU A 56 3.052 -0.434 0.625 1.00 0.27 H new ATOM 0 HD23 LEU A 56 3.530 -2.137 0.821 1.00 0.27 H new ATOM 871 N ARG A 57 4.157 -2.484 5.728 1.00 0.03 N ATOM 872 CA ARG A 57 4.838 -2.257 7.034 1.00 0.06 C ATOM 873 C ARG A 57 6.289 -2.729 6.939 1.00 0.06 C ATOM 874 O ARG A 57 7.215 -1.948 7.040 1.00 0.09 O ATOM 875 CB ARG A 57 4.115 -3.044 8.129 1.00 0.07 C ATOM 876 CG ARG A 57 4.275 -2.322 9.468 1.00 0.19 C ATOM 877 CD ARG A 57 3.789 -3.230 10.600 1.00 0.30 C ATOM 878 NE ARG A 57 2.394 -3.672 10.319 1.00 1.53 N ATOM 879 CZ ARG A 57 1.882 -4.675 10.976 1.00 1.86 C ATOM 880 NH1 ARG A 57 2.592 -5.293 11.880 1.00 1.06 N ATOM 881 NH2 ARG A 57 0.660 -5.062 10.730 1.00 3.43 N ATOM 0 H ARG A 57 3.374 -3.138 5.753 1.00 0.03 H new ATOM 0 HA ARG A 57 4.817 -1.195 7.277 1.00 0.06 H new ATOM 0 HB2 ARG A 57 3.058 -3.144 7.882 1.00 0.07 H new ATOM 0 HB3 ARG A 57 4.523 -4.052 8.197 1.00 0.07 H new ATOM 0 HG2 ARG A 57 5.320 -2.054 9.626 1.00 0.19 H new ATOM 0 HG3 ARG A 57 3.705 -1.393 9.463 1.00 0.19 H new ATOM 0 HD2 ARG A 57 4.444 -4.096 10.693 1.00 0.30 H new ATOM 0 HD3 ARG A 57 3.829 -2.697 11.550 1.00 0.30 H new ATOM 0 HE ARG A 57 1.839 -3.189 9.612 1.00 1.53 H new ATOM 0 HH11 ARG A 57 3.547 -4.991 12.072 1.00 1.06 H new ATOM 0 HH12 ARG A 57 2.192 -6.078 12.394 1.00 1.06 H new ATOM 0 HH21 ARG A 57 0.105 -4.580 10.023 1.00 3.43 H new ATOM 0 HH22 ARG A 57 0.260 -5.847 11.244 1.00 3.43 H new ATOM 895 N GLN A 58 6.495 -4.003 6.747 1.00 0.06 N ATOM 896 CA GLN A 58 7.887 -4.527 6.648 1.00 0.11 C ATOM 897 C GLN A 58 8.573 -3.940 5.412 1.00 0.12 C ATOM 898 O GLN A 58 9.731 -4.201 5.153 1.00 0.17 O ATOM 899 CB GLN A 58 7.848 -6.052 6.532 1.00 0.12 C ATOM 900 CG GLN A 58 6.838 -6.459 5.457 1.00 0.30 C ATOM 901 CD GLN A 58 7.037 -7.932 5.099 1.00 0.51 C ATOM 902 OE1 GLN A 58 7.166 -8.275 3.941 1.00 1.18 O ATOM 903 NE2 GLN A 58 7.069 -8.824 6.051 1.00 1.55 N ATOM 0 H GLN A 58 5.760 -4.704 6.654 1.00 0.06 H new ATOM 0 HA GLN A 58 8.445 -4.241 7.540 1.00 0.11 H new ATOM 0 HB2 GLN A 58 8.837 -6.433 6.279 1.00 0.12 H new ATOM 0 HB3 GLN A 58 7.572 -6.493 7.490 1.00 0.12 H new ATOM 0 HG2 GLN A 58 5.822 -6.296 5.817 1.00 0.30 H new ATOM 0 HG3 GLN A 58 6.965 -5.838 4.570 1.00 0.30 H new ATOM 0 HE21 GLN A 58 6.961 -8.536 7.024 1.00 1.55 H new ATOM 0 HE22 GLN A 58 7.202 -9.809 5.823 1.00 1.55 H new ATOM 912 N PHE A 59 7.871 -3.151 4.645 1.00 0.09 N ATOM 913 CA PHE A 59 8.492 -2.556 3.428 1.00 0.11 C ATOM 914 C PHE A 59 9.240 -1.274 3.805 1.00 0.11 C ATOM 915 O PHE A 59 10.453 -1.247 3.857 1.00 0.12 O ATOM 916 CB PHE A 59 7.406 -2.228 2.401 1.00 0.09 C ATOM 917 CG PHE A 59 8.053 -1.824 1.098 1.00 0.13 C ATOM 918 CD1 PHE A 59 8.403 -2.799 0.157 1.00 0.25 C ATOM 919 CD2 PHE A 59 8.305 -0.473 0.833 1.00 0.09 C ATOM 920 CE1 PHE A 59 9.005 -2.423 -1.050 1.00 0.28 C ATOM 921 CE2 PHE A 59 8.907 -0.097 -0.374 1.00 0.13 C ATOM 922 CZ PHE A 59 9.257 -1.072 -1.316 1.00 0.21 C ATOM 0 H PHE A 59 6.898 -2.893 4.808 1.00 0.09 H new ATOM 0 HA PHE A 59 9.192 -3.272 2.998 1.00 0.11 H new ATOM 0 HB2 PHE A 59 6.762 -3.094 2.247 1.00 0.09 H new ATOM 0 HB3 PHE A 59 6.772 -1.422 2.770 1.00 0.09 H new ATOM 0 HD1 PHE A 59 8.209 -3.841 0.362 1.00 0.25 H new ATOM 0 HD2 PHE A 59 8.035 0.279 1.559 1.00 0.09 H new ATOM 0 HE1 PHE A 59 9.275 -3.176 -1.776 1.00 0.28 H new ATOM 0 HE2 PHE A 59 9.101 0.945 -0.578 1.00 0.13 H new ATOM 0 HZ PHE A 59 9.721 -0.782 -2.247 1.00 0.21 H new ATOM 932 N TYR A 60 8.529 -0.210 4.063 1.00 0.12 N ATOM 933 CA TYR A 60 9.209 1.066 4.428 1.00 0.13 C ATOM 934 C TYR A 60 9.870 0.925 5.801 1.00 0.22 C ATOM 935 O TYR A 60 10.600 1.791 6.239 1.00 0.30 O ATOM 936 CB TYR A 60 8.186 2.206 4.465 1.00 0.06 C ATOM 937 CG TYR A 60 7.185 1.963 5.571 1.00 0.12 C ATOM 938 CD1 TYR A 60 7.516 2.267 6.898 1.00 0.22 C ATOM 939 CD2 TYR A 60 5.925 1.434 5.268 1.00 0.12 C ATOM 940 CE1 TYR A 60 6.586 2.042 7.920 1.00 0.28 C ATOM 941 CE2 TYR A 60 4.996 1.210 6.290 1.00 0.19 C ATOM 942 CZ TYR A 60 5.326 1.513 7.616 1.00 0.26 C ATOM 943 OH TYR A 60 4.409 1.291 8.623 1.00 0.33 O ATOM 0 H TYR A 60 7.510 -0.169 4.037 1.00 0.12 H new ATOM 0 HA TYR A 60 9.972 1.291 3.682 1.00 0.13 H new ATOM 0 HB2 TYR A 60 8.694 3.157 4.625 1.00 0.06 H new ATOM 0 HB3 TYR A 60 7.672 2.276 3.506 1.00 0.06 H new ATOM 0 HD1 TYR A 60 8.488 2.675 7.132 1.00 0.22 H new ATOM 0 HD2 TYR A 60 5.670 1.199 4.245 1.00 0.12 H new ATOM 0 HE1 TYR A 60 6.841 2.277 8.943 1.00 0.28 H new ATOM 0 HE2 TYR A 60 4.024 0.803 6.055 1.00 0.19 H new ATOM 0 HH TYR A 60 3.509 1.234 8.239 1.00 0.33 H new ATOM 953 N SER A 61 9.622 -0.158 6.487 1.00 0.21 N ATOM 954 CA SER A 61 10.241 -0.343 7.829 1.00 0.30 C ATOM 955 C SER A 61 11.584 -1.062 7.681 1.00 0.40 C ATOM 956 O SER A 61 12.568 -0.689 8.289 1.00 0.53 O ATOM 957 CB SER A 61 9.311 -1.178 8.710 1.00 0.23 C ATOM 958 OG SER A 61 8.035 -0.553 8.771 1.00 0.22 O ATOM 0 H SER A 61 9.019 -0.920 6.177 1.00 0.21 H new ATOM 0 HA SER A 61 10.401 0.632 8.290 1.00 0.30 H new ATOM 0 HB2 SER A 61 9.216 -2.186 8.306 1.00 0.23 H new ATOM 0 HB3 SER A 61 9.730 -1.274 9.712 1.00 0.23 H new ATOM 0 HG SER A 61 7.425 -0.992 8.142 1.00 0.22 H new ATOM 964 N HIS A 62 11.632 -2.091 6.881 1.00 0.39 N ATOM 965 CA HIS A 62 12.911 -2.834 6.698 1.00 0.53 C ATOM 966 C HIS A 62 13.702 -2.226 5.536 1.00 0.69 C ATOM 967 O HIS A 62 14.686 -2.782 5.093 1.00 1.59 O ATOM 968 CB HIS A 62 12.608 -4.302 6.394 1.00 0.52 C ATOM 969 CG HIS A 62 11.778 -4.883 7.507 1.00 0.79 C ATOM 970 ND1 HIS A 62 10.946 -4.101 8.293 1.00 1.48 N ATOM 971 CD2 HIS A 62 11.641 -6.165 7.976 1.00 1.26 C ATOM 972 CE1 HIS A 62 10.352 -4.913 9.187 1.00 1.74 C ATOM 973 NE2 HIS A 62 10.740 -6.183 9.037 1.00 1.40 N ATOM 0 H HIS A 62 10.841 -2.450 6.346 1.00 0.39 H new ATOM 0 HA HIS A 62 13.502 -2.764 7.611 1.00 0.53 H new ATOM 0 HB2 HIS A 62 12.075 -4.386 5.447 1.00 0.52 H new ATOM 0 HB3 HIS A 62 13.537 -4.862 6.288 1.00 0.52 H new ATOM 0 HD2 HIS A 62 12.154 -7.029 7.582 1.00 1.26 H new ATOM 0 HE1 HIS A 62 9.648 -4.579 9.934 1.00 1.74 H new ATOM 0 HE2 HIS A 62 10.441 -6.991 9.582 1.00 1.40 H new ATOM 981 N HIS A 63 13.273 -1.091 5.043 1.00 0.20 N ATOM 982 CA HIS A 63 13.992 -0.434 3.908 1.00 0.14 C ATOM 983 C HIS A 63 14.479 0.949 4.341 1.00 0.14 C ATOM 984 O HIS A 63 15.638 1.284 4.192 1.00 0.13 O ATOM 985 CB HIS A 63 13.037 -0.286 2.721 1.00 0.18 C ATOM 986 CG HIS A 63 12.709 -1.645 2.168 1.00 0.23 C ATOM 987 ND1 HIS A 63 13.645 -2.665 2.113 1.00 0.38 N ATOM 988 CD2 HIS A 63 11.554 -2.167 1.641 1.00 0.29 C ATOM 989 CE1 HIS A 63 13.042 -3.739 1.570 1.00 0.40 C ATOM 990 NE2 HIS A 63 11.767 -3.490 1.264 1.00 0.31 N ATOM 0 H HIS A 63 12.452 -0.589 5.380 1.00 0.20 H new ATOM 0 HA HIS A 63 14.847 -1.045 3.618 1.00 0.14 H new ATOM 0 HB2 HIS A 63 12.124 0.220 3.036 1.00 0.18 H new ATOM 0 HB3 HIS A 63 13.494 0.332 1.948 1.00 0.18 H new ATOM 0 HD2 HIS A 63 10.622 -1.632 1.535 1.00 0.29 H new ATOM 0 HE1 HIS A 63 13.531 -4.687 1.402 1.00 0.40 H new ATOM 0 HE2 HIS A 63 11.094 -4.131 0.844 1.00 0.31 H new ATOM 998 N GLU A 64 13.605 1.758 4.876 1.00 0.21 N ATOM 999 CA GLU A 64 14.023 3.119 5.317 1.00 0.27 C ATOM 1000 C GLU A 64 15.312 3.017 6.133 1.00 0.27 C ATOM 1001 O GLU A 64 16.302 3.651 5.829 1.00 0.68 O ATOM 1002 CB GLU A 64 12.917 3.737 6.178 1.00 0.34 C ATOM 1003 CG GLU A 64 13.481 4.912 6.982 1.00 0.30 C ATOM 1004 CD GLU A 64 14.405 5.747 6.094 1.00 2.28 C ATOM 1005 OE1 GLU A 64 13.921 6.289 5.114 1.00 3.06 O ATOM 1006 OE2 GLU A 64 15.580 5.834 6.411 1.00 3.37 O ATOM 0 H GLU A 64 12.621 1.535 5.026 1.00 0.21 H new ATOM 0 HA GLU A 64 14.197 3.748 4.444 1.00 0.27 H new ATOM 0 HB2 GLU A 64 12.098 4.078 5.545 1.00 0.34 H new ATOM 0 HB3 GLU A 64 12.507 2.986 6.853 1.00 0.34 H new ATOM 0 HG2 GLU A 64 12.667 5.531 7.360 1.00 0.30 H new ATOM 0 HG3 GLU A 64 14.029 4.543 7.848 1.00 0.30 H new ATOM 1013 N LYS A 65 15.309 2.222 7.169 1.00 0.59 N ATOM 1014 CA LYS A 65 16.535 2.080 8.002 1.00 0.60 C ATOM 1015 C LYS A 65 17.670 1.515 7.146 1.00 0.54 C ATOM 1016 O LYS A 65 18.833 1.639 7.477 1.00 0.48 O ATOM 1017 CB LYS A 65 16.253 1.128 9.167 1.00 0.69 C ATOM 1018 CG LYS A 65 14.845 1.388 9.709 1.00 0.84 C ATOM 1019 CD LYS A 65 14.727 0.809 11.121 1.00 0.64 C ATOM 1020 CE LYS A 65 13.272 0.426 11.396 1.00 1.26 C ATOM 1021 NZ LYS A 65 12.986 -0.907 10.794 1.00 2.51 N ATOM 0 H LYS A 65 14.510 1.665 7.473 1.00 0.59 H new ATOM 0 HA LYS A 65 16.824 3.056 8.392 1.00 0.60 H new ATOM 0 HB2 LYS A 65 16.341 0.094 8.835 1.00 0.69 H new ATOM 0 HB3 LYS A 65 16.991 1.273 9.956 1.00 0.69 H new ATOM 0 HG2 LYS A 65 14.642 2.459 9.725 1.00 0.84 H new ATOM 0 HG3 LYS A 65 14.102 0.933 9.054 1.00 0.84 H new ATOM 0 HD2 LYS A 65 15.370 -0.066 11.222 1.00 0.64 H new ATOM 0 HD3 LYS A 65 15.067 1.540 11.855 1.00 0.64 H new ATOM 0 HE2 LYS A 65 13.089 0.398 12.470 1.00 1.26 H new ATOM 0 HE3 LYS A 65 12.602 1.177 10.978 1.00 1.26 H new ATOM 0 HZ1 LYS A 65 12.281 -1.406 11.374 1.00 2.51 H new ATOM 0 HZ2 LYS A 65 12.615 -0.780 9.831 1.00 2.51 H new ATOM 0 HZ3 LYS A 65 13.862 -1.466 10.757 1.00 2.51 H new ATOM 1035 N ASP A 66 17.342 0.893 6.046 1.00 0.61 N ATOM 1036 CA ASP A 66 18.402 0.320 5.169 1.00 0.56 C ATOM 1037 C ASP A 66 18.908 1.398 4.208 1.00 0.48 C ATOM 1038 O ASP A 66 18.153 2.223 3.733 1.00 0.43 O ATOM 1039 CB ASP A 66 17.824 -0.847 4.367 1.00 0.58 C ATOM 1040 CG ASP A 66 18.951 -1.802 3.969 1.00 0.60 C ATOM 1041 OD1 ASP A 66 19.982 -1.320 3.530 1.00 1.68 O ATOM 1042 OD2 ASP A 66 18.764 -3.000 4.110 1.00 0.78 O ATOM 0 H ASP A 66 16.386 0.757 5.717 1.00 0.61 H new ATOM 0 HA ASP A 66 19.229 -0.035 5.784 1.00 0.56 H new ATOM 0 HB2 ASP A 66 17.078 -1.376 4.960 1.00 0.58 H new ATOM 0 HB3 ASP A 66 17.317 -0.474 3.477 1.00 0.58 H new ATOM 1047 N THR A 67 20.180 1.399 3.919 1.00 0.47 N ATOM 1048 CA THR A 67 20.734 2.423 2.989 1.00 0.40 C ATOM 1049 C THR A 67 20.741 1.868 1.564 1.00 0.27 C ATOM 1050 O THR A 67 21.666 2.089 0.806 1.00 0.31 O ATOM 1051 CB THR A 67 22.163 2.773 3.408 1.00 0.54 C ATOM 1052 OG1 THR A 67 23.031 1.700 3.070 1.00 0.36 O ATOM 1053 CG2 THR A 67 22.211 3.015 4.917 1.00 0.92 C ATOM 0 H THR A 67 20.860 0.734 4.287 1.00 0.47 H new ATOM 0 HA THR A 67 20.115 3.320 3.026 1.00 0.40 H new ATOM 0 HB THR A 67 22.482 3.676 2.888 1.00 0.54 H new ATOM 0 HG1 THR A 67 23.138 1.660 2.097 1.00 0.36 H new ATOM 0 HG21 THR A 67 23.230 3.264 5.213 1.00 0.92 H new ATOM 0 HG22 THR A 67 21.546 3.840 5.175 1.00 0.92 H new ATOM 0 HG23 THR A 67 21.891 2.114 5.440 1.00 0.92 H new ATOM 1061 N ARG A 68 19.718 1.149 1.192 1.00 0.20 N ATOM 1062 CA ARG A 68 19.665 0.580 -0.184 1.00 0.31 C ATOM 1063 C ARG A 68 18.900 1.533 -1.104 1.00 0.29 C ATOM 1064 O ARG A 68 19.325 1.823 -2.206 1.00 0.44 O ATOM 1065 CB ARG A 68 18.952 -0.774 -0.148 1.00 0.45 C ATOM 1066 CG ARG A 68 19.822 -1.789 0.598 1.00 0.68 C ATOM 1067 CD ARG A 68 20.342 -2.837 -0.387 1.00 0.83 C ATOM 1068 NE ARG A 68 21.204 -3.813 0.338 1.00 1.71 N ATOM 1069 CZ ARG A 68 21.515 -4.950 -0.222 1.00 1.94 C ATOM 1070 NH1 ARG A 68 21.071 -5.231 -1.417 1.00 1.45 N ATOM 1071 NH2 ARG A 68 22.269 -5.805 0.411 1.00 2.79 N ATOM 0 H ARG A 68 18.915 0.931 1.782 1.00 0.20 H new ATOM 0 HA ARG A 68 20.679 0.449 -0.561 1.00 0.31 H new ATOM 0 HB2 ARG A 68 17.985 -0.675 0.346 1.00 0.45 H new ATOM 0 HB3 ARG A 68 18.758 -1.122 -1.163 1.00 0.45 H new ATOM 0 HG2 ARG A 68 20.658 -1.282 1.081 1.00 0.68 H new ATOM 0 HG3 ARG A 68 19.243 -2.271 1.386 1.00 0.68 H new ATOM 0 HD2 ARG A 68 19.507 -3.354 -0.860 1.00 0.83 H new ATOM 0 HD3 ARG A 68 20.910 -2.354 -1.183 1.00 0.83 H new ATOM 0 HE ARG A 68 21.551 -3.592 1.272 1.00 1.71 H new ATOM 0 HH11 ARG A 68 20.481 -4.562 -1.912 1.00 1.45 H new ATOM 0 HH12 ARG A 68 21.314 -6.119 -1.855 1.00 1.45 H new ATOM 0 HH21 ARG A 68 22.616 -5.585 1.345 1.00 2.79 H new ATOM 0 HH22 ARG A 68 22.512 -6.693 -0.027 1.00 2.79 H new ATOM 1085 N CYS A 69 17.774 2.024 -0.662 1.00 0.25 N ATOM 1086 CA CYS A 69 16.983 2.957 -1.513 1.00 0.29 C ATOM 1087 C CYS A 69 17.468 4.390 -1.289 1.00 0.41 C ATOM 1088 O CYS A 69 16.877 5.337 -1.768 1.00 0.57 O ATOM 1089 CB CYS A 69 15.502 2.849 -1.141 1.00 0.25 C ATOM 1090 SG CYS A 69 14.978 1.121 -1.271 1.00 0.23 S ATOM 0 H CYS A 69 17.368 1.819 0.251 1.00 0.25 H new ATOM 0 HA CYS A 69 17.114 2.694 -2.563 1.00 0.29 H new ATOM 0 HB2 CYS A 69 15.342 3.214 -0.127 1.00 0.25 H new ATOM 0 HB3 CYS A 69 14.902 3.474 -1.803 1.00 0.25 H new ATOM 1095 N LEU A 70 18.547 4.555 -0.571 1.00 0.43 N ATOM 1096 CA LEU A 70 19.078 5.925 -0.321 1.00 0.67 C ATOM 1097 C LEU A 70 20.172 6.234 -1.346 1.00 0.83 C ATOM 1098 O LEU A 70 19.903 6.417 -2.517 1.00 1.87 O ATOM 1099 CB LEU A 70 19.666 5.997 1.093 1.00 0.59 C ATOM 1100 CG LEU A 70 18.591 5.637 2.124 1.00 0.60 C ATOM 1101 CD1 LEU A 70 19.187 5.702 3.532 1.00 0.68 C ATOM 1102 CD2 LEU A 70 17.428 6.627 2.024 1.00 0.92 C ATOM 0 H LEU A 70 19.084 3.799 -0.147 1.00 0.43 H new ATOM 0 HA LEU A 70 18.272 6.653 -0.413 1.00 0.67 H new ATOM 0 HB2 LEU A 70 20.510 5.313 1.181 1.00 0.59 H new ATOM 0 HB3 LEU A 70 20.047 7.000 1.287 1.00 0.59 H new ATOM 0 HG LEU A 70 18.230 4.628 1.925 1.00 0.60 H new ATOM 0 HD11 LEU A 70 18.421 5.446 4.264 1.00 0.68 H new ATOM 0 HD12 LEU A 70 20.014 4.996 3.610 1.00 0.68 H new ATOM 0 HD13 LEU A 70 19.551 6.711 3.727 1.00 0.68 H new ATOM 0 HD21 LEU A 70 16.665 6.368 2.759 1.00 0.92 H new ATOM 0 HD22 LEU A 70 17.791 7.636 2.219 1.00 0.92 H new ATOM 0 HD23 LEU A 70 16.998 6.583 1.023 1.00 0.92 H new ATOM 1114 N GLY A 71 21.404 6.290 -0.916 1.00 0.87 N ATOM 1115 CA GLY A 71 22.517 6.584 -1.864 1.00 0.93 C ATOM 1116 C GLY A 71 23.555 7.470 -1.175 1.00 0.95 C ATOM 1117 O GLY A 71 24.356 7.008 -0.388 1.00 1.40 O ATOM 0 H GLY A 71 21.688 6.145 0.053 1.00 0.87 H new ATOM 0 HA2 GLY A 71 22.980 5.655 -2.197 1.00 0.93 H new ATOM 0 HA3 GLY A 71 22.130 7.083 -2.752 1.00 0.93 H new ATOM 1121 N ALA A 72 23.547 8.743 -1.466 1.00 0.87 N ATOM 1122 CA ALA A 72 24.533 9.660 -0.829 1.00 0.90 C ATOM 1123 C ALA A 72 24.219 11.102 -1.233 1.00 0.94 C ATOM 1124 O ALA A 72 24.455 12.032 -0.487 1.00 1.00 O ATOM 1125 CB ALA A 72 25.944 9.295 -1.292 1.00 0.92 C ATOM 0 H ALA A 72 22.900 9.187 -2.118 1.00 0.87 H new ATOM 0 HA ALA A 72 24.472 9.564 0.255 1.00 0.90 H new ATOM 0 HB1 ALA A 72 26.665 9.966 -0.826 1.00 0.92 H new ATOM 0 HB2 ALA A 72 26.167 8.267 -1.005 1.00 0.92 H new ATOM 0 HB3 ALA A 72 26.007 9.391 -2.376 1.00 0.92 H new ATOM 1131 N THR A 73 23.687 11.295 -2.408 1.00 0.92 N ATOM 1132 CA THR A 73 23.358 12.676 -2.861 1.00 0.95 C ATOM 1133 C THR A 73 22.177 13.210 -2.047 1.00 0.68 C ATOM 1134 O THR A 73 21.553 12.488 -1.295 1.00 0.53 O ATOM 1135 CB THR A 73 22.985 12.651 -4.345 1.00 1.02 C ATOM 1136 OG1 THR A 73 21.669 12.135 -4.492 1.00 1.30 O ATOM 1137 CG2 THR A 73 23.971 11.764 -5.106 1.00 1.16 C ATOM 0 H THR A 73 23.466 10.556 -3.075 1.00 0.92 H new ATOM 0 HA THR A 73 24.223 13.323 -2.715 1.00 0.95 H new ATOM 0 HB THR A 73 23.026 13.663 -4.748 1.00 1.02 H new ATOM 0 HG1 THR A 73 21.486 11.970 -5.441 1.00 1.30 H new ATOM 0 HG21 THR A 73 23.704 11.747 -6.163 1.00 1.16 H new ATOM 0 HG22 THR A 73 24.980 12.161 -4.993 1.00 1.16 H new ATOM 0 HG23 THR A 73 23.933 10.751 -4.706 1.00 1.16 H new ATOM 1145 N ALA A 74 21.866 14.469 -2.190 1.00 0.70 N ATOM 1146 CA ALA A 74 20.727 15.047 -1.425 1.00 0.65 C ATOM 1147 C ALA A 74 19.439 14.902 -2.237 1.00 0.40 C ATOM 1148 O ALA A 74 18.402 14.542 -1.716 1.00 0.65 O ATOM 1149 CB ALA A 74 20.994 16.529 -1.153 1.00 0.95 C ATOM 0 H ALA A 74 22.352 15.122 -2.804 1.00 0.70 H new ATOM 0 HA ALA A 74 20.621 14.517 -0.478 1.00 0.65 H new ATOM 0 HB1 ALA A 74 20.160 16.952 -0.593 1.00 0.95 H new ATOM 0 HB2 ALA A 74 21.911 16.633 -0.573 1.00 0.95 H new ATOM 0 HB3 ALA A 74 21.102 17.059 -2.099 1.00 0.95 H new ATOM 1155 N GLN A 75 19.495 15.181 -3.511 1.00 0.41 N ATOM 1156 CA GLN A 75 18.273 15.060 -4.355 1.00 0.18 C ATOM 1157 C GLN A 75 17.597 13.713 -4.088 1.00 0.15 C ATOM 1158 O GLN A 75 16.392 13.625 -3.967 1.00 0.16 O ATOM 1159 CB GLN A 75 18.662 15.151 -5.832 1.00 0.22 C ATOM 1160 CG GLN A 75 19.409 13.881 -6.243 1.00 0.27 C ATOM 1161 CD GLN A 75 20.140 14.124 -7.566 1.00 0.39 C ATOM 1162 OE1 GLN A 75 20.097 13.299 -8.457 1.00 1.39 O ATOM 1163 NE2 GLN A 75 20.815 15.228 -7.731 1.00 1.13 N ATOM 0 H GLN A 75 20.334 15.487 -4.003 1.00 0.41 H new ATOM 0 HA GLN A 75 17.582 15.867 -4.110 1.00 0.18 H new ATOM 0 HB2 GLN A 75 17.771 15.276 -6.447 1.00 0.22 H new ATOM 0 HB3 GLN A 75 19.290 16.026 -6.000 1.00 0.22 H new ATOM 0 HG2 GLN A 75 20.122 13.599 -5.468 1.00 0.27 H new ATOM 0 HG3 GLN A 75 18.709 13.053 -6.349 1.00 0.27 H new ATOM 0 HE21 GLN A 75 20.851 15.920 -6.983 1.00 1.13 H new ATOM 0 HE22 GLN A 75 21.307 15.399 -8.608 1.00 1.13 H new ATOM 1172 N GLN A 76 18.365 12.661 -3.994 1.00 0.20 N ATOM 1173 CA GLN A 76 17.765 11.323 -3.736 1.00 0.20 C ATOM 1174 C GLN A 76 17.402 11.204 -2.254 1.00 0.20 C ATOM 1175 O GLN A 76 16.488 10.493 -1.884 1.00 0.17 O ATOM 1176 CB GLN A 76 18.775 10.232 -4.102 1.00 0.29 C ATOM 1177 CG GLN A 76 18.059 8.883 -4.194 1.00 0.42 C ATOM 1178 CD GLN A 76 17.413 8.739 -5.573 1.00 0.89 C ATOM 1179 OE1 GLN A 76 16.207 8.812 -5.703 1.00 2.20 O ATOM 1180 NE2 GLN A 76 18.170 8.536 -6.616 1.00 1.32 N ATOM 0 H GLN A 76 19.381 12.672 -4.085 1.00 0.20 H new ATOM 0 HA GLN A 76 16.866 11.205 -4.341 1.00 0.20 H new ATOM 0 HB2 GLN A 76 19.252 10.468 -5.053 1.00 0.29 H new ATOM 0 HB3 GLN A 76 19.565 10.186 -3.352 1.00 0.29 H new ATOM 0 HG2 GLN A 76 18.767 8.072 -4.026 1.00 0.42 H new ATOM 0 HG3 GLN A 76 17.299 8.809 -3.416 1.00 0.42 H new ATOM 0 HE21 GLN A 76 19.182 8.475 -6.507 1.00 1.32 H new ATOM 0 HE22 GLN A 76 17.750 8.439 -7.540 1.00 1.32 H new ATOM 1189 N PHE A 77 18.109 11.894 -1.403 1.00 0.26 N ATOM 1190 CA PHE A 77 17.803 11.821 0.054 1.00 0.30 C ATOM 1191 C PHE A 77 16.380 12.324 0.302 1.00 0.25 C ATOM 1192 O PHE A 77 15.645 11.772 1.095 1.00 0.30 O ATOM 1193 CB PHE A 77 18.795 12.691 0.828 1.00 0.41 C ATOM 1194 CG PHE A 77 18.572 12.511 2.311 1.00 0.36 C ATOM 1195 CD1 PHE A 77 19.122 11.407 2.973 1.00 0.35 C ATOM 1196 CD2 PHE A 77 17.815 13.449 3.023 1.00 0.40 C ATOM 1197 CE1 PHE A 77 18.915 11.240 4.347 1.00 0.30 C ATOM 1198 CE2 PHE A 77 17.607 13.282 4.397 1.00 0.38 C ATOM 1199 CZ PHE A 77 18.158 12.179 5.059 1.00 0.29 C ATOM 0 H PHE A 77 18.886 12.506 -1.653 1.00 0.26 H new ATOM 0 HA PHE A 77 17.887 10.788 0.392 1.00 0.30 H new ATOM 0 HB2 PHE A 77 19.817 12.416 0.567 1.00 0.41 H new ATOM 0 HB3 PHE A 77 18.667 13.738 0.555 1.00 0.41 H new ATOM 0 HD1 PHE A 77 19.706 10.684 2.423 1.00 0.35 H new ATOM 0 HD2 PHE A 77 17.392 14.301 2.512 1.00 0.40 H new ATOM 0 HE1 PHE A 77 19.339 10.388 4.858 1.00 0.30 H new ATOM 0 HE2 PHE A 77 17.021 14.004 4.946 1.00 0.38 H new ATOM 0 HZ PHE A 77 17.999 12.052 6.120 1.00 0.29 H new ATOM 1209 N HIS A 78 15.986 13.370 -0.371 1.00 0.31 N ATOM 1210 CA HIS A 78 14.610 13.909 -0.172 1.00 0.39 C ATOM 1211 C HIS A 78 13.608 13.042 -0.937 1.00 0.35 C ATOM 1212 O HIS A 78 12.658 12.534 -0.376 1.00 0.35 O ATOM 1213 CB HIS A 78 14.544 15.346 -0.694 1.00 0.52 C ATOM 1214 CG HIS A 78 13.266 15.990 -0.231 1.00 0.73 C ATOM 1215 ND1 HIS A 78 12.975 17.321 -0.485 1.00 1.02 N ATOM 1216 CD2 HIS A 78 12.193 15.498 0.469 1.00 0.72 C ATOM 1217 CE1 HIS A 78 11.771 17.582 0.055 1.00 1.15 C ATOM 1218 NE2 HIS A 78 11.250 16.506 0.649 1.00 0.97 N ATOM 0 H HIS A 78 16.556 13.875 -1.050 1.00 0.31 H new ATOM 0 HA HIS A 78 14.365 13.897 0.890 1.00 0.39 H new ATOM 0 HB2 HIS A 78 15.401 15.915 -0.334 1.00 0.52 H new ATOM 0 HB3 HIS A 78 14.593 15.351 -1.783 1.00 0.52 H new ATOM 0 HD2 HIS A 78 12.095 14.483 0.826 1.00 0.72 H new ATOM 0 HE1 HIS A 78 11.285 18.545 0.013 1.00 1.15 H new ATOM 0 HE2 HIS A 78 10.354 16.437 1.131 1.00 0.97 H new ATOM 1226 N ARG A 79 13.812 12.869 -2.215 1.00 0.34 N ATOM 1227 CA ARG A 79 12.871 12.035 -3.013 1.00 0.36 C ATOM 1228 C ARG A 79 12.601 10.722 -2.275 1.00 0.28 C ATOM 1229 O ARG A 79 11.591 10.077 -2.481 1.00 0.39 O ATOM 1230 CB ARG A 79 13.489 11.733 -4.380 1.00 0.36 C ATOM 1231 CG ARG A 79 12.419 11.864 -5.466 1.00 0.42 C ATOM 1232 CD ARG A 79 13.018 11.489 -6.821 1.00 0.41 C ATOM 1233 NE ARG A 79 12.282 12.200 -7.903 1.00 0.85 N ATOM 1234 CZ ARG A 79 12.792 12.273 -9.102 1.00 0.89 C ATOM 1235 NH1 ARG A 79 13.948 11.722 -9.353 1.00 0.94 N ATOM 1236 NH2 ARG A 79 12.147 12.897 -10.050 1.00 1.40 N ATOM 0 H ARG A 79 14.590 13.269 -2.740 1.00 0.34 H new ATOM 0 HA ARG A 79 11.934 12.575 -3.149 1.00 0.36 H new ATOM 0 HB2 ARG A 79 14.310 12.421 -4.579 1.00 0.36 H new ATOM 0 HB3 ARG A 79 13.908 10.727 -4.387 1.00 0.36 H new ATOM 0 HG2 ARG A 79 11.573 11.215 -5.238 1.00 0.42 H new ATOM 0 HG3 ARG A 79 12.038 12.885 -5.495 1.00 0.42 H new ATOM 0 HD2 ARG A 79 14.075 11.755 -6.850 1.00 0.41 H new ATOM 0 HD3 ARG A 79 12.956 10.411 -6.972 1.00 0.41 H new ATOM 0 HE ARG A 79 11.378 12.630 -7.707 1.00 0.85 H new ATOM 0 HH11 ARG A 79 14.452 11.235 -8.612 1.00 0.94 H new ATOM 0 HH12 ARG A 79 14.347 11.779 -10.290 1.00 0.94 H new ATOM 0 HH21 ARG A 79 11.244 13.328 -9.854 1.00 1.40 H new ATOM 0 HH22 ARG A 79 12.546 12.954 -10.987 1.00 1.40 H new ATOM 1250 N HIS A 80 13.496 10.320 -1.414 1.00 0.11 N ATOM 1251 CA HIS A 80 13.290 9.050 -0.662 1.00 0.03 C ATOM 1252 C HIS A 80 12.391 9.312 0.547 1.00 0.06 C ATOM 1253 O HIS A 80 11.354 8.699 0.705 1.00 0.10 O ATOM 1254 CB HIS A 80 14.642 8.514 -0.186 1.00 0.11 C ATOM 1255 CG HIS A 80 14.422 7.425 0.826 1.00 0.22 C ATOM 1256 ND1 HIS A 80 14.016 6.150 0.465 1.00 0.28 N ATOM 1257 CD2 HIS A 80 14.550 7.404 2.194 1.00 0.33 C ATOM 1258 CE1 HIS A 80 13.915 5.422 1.592 1.00 0.37 C ATOM 1259 NE2 HIS A 80 14.228 6.138 2.674 1.00 0.40 N ATOM 0 H HIS A 80 14.361 10.816 -1.199 1.00 0.11 H new ATOM 0 HA HIS A 80 12.817 8.315 -1.313 1.00 0.03 H new ATOM 0 HB2 HIS A 80 15.211 8.129 -1.032 1.00 0.11 H new ATOM 0 HB3 HIS A 80 15.230 9.320 0.253 1.00 0.11 H new ATOM 0 HD2 HIS A 80 14.854 8.242 2.804 1.00 0.33 H new ATOM 0 HE1 HIS A 80 13.617 4.384 1.618 1.00 0.37 H new ATOM 0 HE2 HIS A 80 14.231 5.825 3.645 1.00 0.40 H new ATOM 1267 N LYS A 81 12.780 10.218 1.402 1.00 0.07 N ATOM 1268 CA LYS A 81 11.946 10.518 2.599 1.00 0.12 C ATOM 1269 C LYS A 81 10.501 10.767 2.164 1.00 0.14 C ATOM 1270 O LYS A 81 9.567 10.261 2.756 1.00 0.17 O ATOM 1271 CB LYS A 81 12.490 11.764 3.301 1.00 0.15 C ATOM 1272 CG LYS A 81 13.701 11.382 4.154 1.00 0.31 C ATOM 1273 CD LYS A 81 13.250 11.107 5.590 1.00 1.10 C ATOM 1274 CE LYS A 81 14.432 10.581 6.406 1.00 1.00 C ATOM 1275 NZ LYS A 81 15.467 11.647 6.525 1.00 0.66 N ATOM 0 H LYS A 81 13.639 10.763 1.323 1.00 0.07 H new ATOM 0 HA LYS A 81 11.978 9.672 3.285 1.00 0.12 H new ATOM 0 HB2 LYS A 81 12.774 12.515 2.564 1.00 0.15 H new ATOM 0 HB3 LYS A 81 11.716 12.208 3.927 1.00 0.15 H new ATOM 0 HG2 LYS A 81 14.187 10.499 3.739 1.00 0.31 H new ATOM 0 HG3 LYS A 81 14.436 12.186 4.141 1.00 0.31 H new ATOM 0 HD2 LYS A 81 12.861 12.020 6.041 1.00 1.10 H new ATOM 0 HD3 LYS A 81 12.439 10.379 5.594 1.00 1.10 H new ATOM 0 HE2 LYS A 81 14.096 10.273 7.396 1.00 1.00 H new ATOM 0 HE3 LYS A 81 14.856 9.699 5.925 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 15.854 11.649 7.490 1.00 0.66 H new ATOM 0 HZ2 LYS A 81 16.233 11.465 5.845 1.00 0.66 H new ATOM 0 HZ3 LYS A 81 15.037 12.572 6.322 1.00 0.66 H new ATOM 1289 N GLN A 82 10.307 11.545 1.134 1.00 0.15 N ATOM 1290 CA GLN A 82 8.921 11.826 0.662 1.00 0.20 C ATOM 1291 C GLN A 82 8.192 10.503 0.413 1.00 0.18 C ATOM 1292 O GLN A 82 7.072 10.311 0.842 1.00 0.13 O ATOM 1293 CB GLN A 82 8.978 12.631 -0.638 1.00 0.24 C ATOM 1294 CG GLN A 82 7.610 12.596 -1.321 1.00 1.25 C ATOM 1295 CD GLN A 82 7.509 13.749 -2.321 1.00 1.27 C ATOM 1296 OE1 GLN A 82 7.924 13.622 -3.456 1.00 2.09 O ATOM 1297 NE2 GLN A 82 6.969 14.875 -1.946 1.00 0.84 N ATOM 0 H GLN A 82 11.048 11.998 0.599 1.00 0.15 H new ATOM 0 HA GLN A 82 8.387 12.399 1.420 1.00 0.20 H new ATOM 0 HB2 GLN A 82 9.265 13.661 -0.428 1.00 0.24 H new ATOM 0 HB3 GLN A 82 9.738 12.218 -1.301 1.00 0.24 H new ATOM 0 HG2 GLN A 82 7.472 11.644 -1.833 1.00 1.25 H new ATOM 0 HG3 GLN A 82 6.818 12.676 -0.576 1.00 1.25 H new ATOM 0 HE21 GLN A 82 6.621 14.981 -0.993 1.00 0.84 H new ATOM 0 HE22 GLN A 82 6.895 15.650 -2.605 1.00 0.84 H new ATOM 1306 N LEU A 83 8.819 9.591 -0.280 1.00 0.21 N ATOM 1307 CA LEU A 83 8.161 8.283 -0.555 1.00 0.19 C ATOM 1308 C LEU A 83 7.688 7.668 0.764 1.00 0.20 C ATOM 1309 O LEU A 83 6.518 7.401 0.953 1.00 0.22 O ATOM 1310 CB LEU A 83 9.163 7.342 -1.228 1.00 0.14 C ATOM 1311 CG LEU A 83 8.414 6.304 -2.066 1.00 0.13 C ATOM 1312 CD1 LEU A 83 9.420 5.371 -2.744 1.00 0.13 C ATOM 1313 CD2 LEU A 83 7.492 5.484 -1.162 1.00 0.14 C ATOM 0 H LEU A 83 9.757 9.696 -0.667 1.00 0.21 H new ATOM 0 HA LEU A 83 7.306 8.434 -1.214 1.00 0.19 H new ATOM 0 HB2 LEU A 83 9.843 7.912 -1.861 1.00 0.14 H new ATOM 0 HB3 LEU A 83 9.772 6.844 -0.474 1.00 0.14 H new ATOM 0 HG LEU A 83 7.820 6.814 -2.825 1.00 0.13 H new ATOM 0 HD11 LEU A 83 8.886 4.632 -3.341 1.00 0.13 H new ATOM 0 HD12 LEU A 83 10.077 5.953 -3.390 1.00 0.13 H new ATOM 0 HD13 LEU A 83 10.014 4.863 -1.984 1.00 0.13 H new ATOM 0 HD21 LEU A 83 6.959 4.745 -1.760 1.00 0.14 H new ATOM 0 HD22 LEU A 83 8.085 4.976 -0.402 1.00 0.14 H new ATOM 0 HD23 LEU A 83 6.773 6.146 -0.679 1.00 0.14 H new ATOM 1325 N ILE A 84 8.591 7.444 1.680 1.00 0.19 N ATOM 1326 CA ILE A 84 8.196 6.848 2.987 1.00 0.23 C ATOM 1327 C ILE A 84 6.982 7.594 3.543 1.00 0.28 C ATOM 1328 O ILE A 84 6.050 6.997 4.042 1.00 0.35 O ATOM 1329 CB ILE A 84 9.361 6.966 3.973 1.00 0.25 C ATOM 1330 CG1 ILE A 84 10.664 6.549 3.284 1.00 0.20 C ATOM 1331 CG2 ILE A 84 9.110 6.055 5.177 1.00 0.29 C ATOM 1332 CD1 ILE A 84 10.462 5.215 2.563 1.00 0.18 C ATOM 0 H ILE A 84 9.585 7.648 1.579 1.00 0.19 H new ATOM 0 HA ILE A 84 7.943 5.797 2.845 1.00 0.23 H new ATOM 0 HB ILE A 84 9.442 8.000 4.309 1.00 0.25 H new ATOM 0 HG12 ILE A 84 10.972 7.315 2.572 1.00 0.20 H new ATOM 0 HG13 ILE A 84 11.463 6.458 4.020 1.00 0.20 H new ATOM 0 HG21 ILE A 84 9.941 6.141 5.878 1.00 0.29 H new ATOM 0 HG22 ILE A 84 8.186 6.353 5.672 1.00 0.29 H new ATOM 0 HG23 ILE A 84 9.025 5.022 4.840 1.00 0.29 H new ATOM 0 HD11 ILE A 84 11.391 4.921 2.074 1.00 0.18 H new ATOM 0 HD12 ILE A 84 10.175 4.451 3.285 1.00 0.18 H new ATOM 0 HD13 ILE A 84 9.676 5.321 1.815 1.00 0.18 H new ATOM 1344 N ARG A 85 6.987 8.896 3.465 1.00 0.26 N ATOM 1345 CA ARG A 85 5.834 9.679 3.991 1.00 0.31 C ATOM 1346 C ARG A 85 4.531 9.134 3.402 1.00 0.23 C ATOM 1347 O ARG A 85 3.551 8.952 4.099 1.00 0.26 O ATOM 1348 CB ARG A 85 5.994 11.150 3.601 1.00 0.44 C ATOM 1349 CG ARG A 85 6.125 12.003 4.864 1.00 0.39 C ATOM 1350 CD ARG A 85 6.357 13.463 4.473 1.00 1.36 C ATOM 1351 NE ARG A 85 7.625 13.946 5.088 1.00 1.75 N ATOM 1352 CZ ARG A 85 8.178 15.050 4.661 1.00 2.74 C ATOM 1353 NH1 ARG A 85 7.620 15.728 3.695 1.00 3.35 N ATOM 1354 NH2 ARG A 85 9.289 15.473 5.199 1.00 3.44 N ATOM 0 H ARG A 85 7.740 9.452 3.060 1.00 0.26 H new ATOM 0 HA ARG A 85 5.804 9.592 5.077 1.00 0.31 H new ATOM 0 HB2 ARG A 85 6.875 11.276 2.971 1.00 0.44 H new ATOM 0 HB3 ARG A 85 5.135 11.477 3.016 1.00 0.44 H new ATOM 0 HG2 ARG A 85 5.222 11.917 5.469 1.00 0.39 H new ATOM 0 HG3 ARG A 85 6.953 11.643 5.474 1.00 0.39 H new ATOM 0 HD2 ARG A 85 6.408 13.557 3.388 1.00 1.36 H new ATOM 0 HD3 ARG A 85 5.521 14.077 4.807 1.00 1.36 H new ATOM 0 HE ARG A 85 8.061 13.415 5.842 1.00 1.75 H new ATOM 0 HH11 ARG A 85 6.752 15.396 3.274 1.00 3.35 H new ATOM 0 HH12 ARG A 85 8.052 16.590 3.361 1.00 3.35 H new ATOM 0 HH21 ARG A 85 9.725 14.942 5.953 1.00 3.44 H new ATOM 0 HH22 ARG A 85 9.721 16.335 4.866 1.00 3.44 H new ATOM 1368 N PHE A 86 4.510 8.874 2.123 1.00 0.23 N ATOM 1369 CA PHE A 86 3.268 8.344 1.492 1.00 0.26 C ATOM 1370 C PHE A 86 2.927 6.980 2.097 1.00 0.20 C ATOM 1371 O PHE A 86 1.868 6.789 2.662 1.00 0.27 O ATOM 1372 CB PHE A 86 3.487 8.194 -0.015 1.00 0.35 C ATOM 1373 CG PHE A 86 3.307 9.536 -0.685 1.00 0.31 C ATOM 1374 CD1 PHE A 86 2.028 10.095 -0.798 1.00 0.11 C ATOM 1375 CD2 PHE A 86 4.417 10.222 -1.192 1.00 0.55 C ATOM 1376 CE1 PHE A 86 1.860 11.339 -1.418 1.00 0.11 C ATOM 1377 CE2 PHE A 86 4.249 11.466 -1.813 1.00 0.58 C ATOM 1378 CZ PHE A 86 2.970 12.024 -1.926 1.00 0.36 C ATOM 0 H PHE A 86 5.298 9.005 1.489 1.00 0.23 H new ATOM 0 HA PHE A 86 2.445 9.036 1.673 1.00 0.26 H new ATOM 0 HB2 PHE A 86 4.487 7.809 -0.211 1.00 0.35 H new ATOM 0 HB3 PHE A 86 2.781 7.472 -0.426 1.00 0.35 H new ATOM 0 HD1 PHE A 86 1.171 9.566 -0.407 1.00 0.11 H new ATOM 0 HD2 PHE A 86 5.404 9.792 -1.104 1.00 0.55 H new ATOM 0 HE1 PHE A 86 0.874 11.770 -1.504 1.00 0.11 H new ATOM 0 HE2 PHE A 86 5.106 11.995 -2.204 1.00 0.58 H new ATOM 0 HZ PHE A 86 2.840 12.983 -2.405 1.00 0.36 H new ATOM 1388 N LEU A 87 3.813 6.029 1.983 1.00 0.25 N ATOM 1389 CA LEU A 87 3.535 4.680 2.552 1.00 0.19 C ATOM 1390 C LEU A 87 3.073 4.823 4.003 1.00 0.13 C ATOM 1391 O LEU A 87 2.149 4.164 4.439 1.00 0.26 O ATOM 1392 CB LEU A 87 4.809 3.833 2.503 1.00 0.14 C ATOM 1393 CG LEU A 87 5.362 3.822 1.077 1.00 0.15 C ATOM 1394 CD1 LEU A 87 6.642 2.985 1.032 1.00 0.18 C ATOM 1395 CD2 LEU A 87 4.324 3.214 0.130 1.00 0.32 C ATOM 0 H LEU A 87 4.717 6.128 1.521 1.00 0.25 H new ATOM 0 HA LEU A 87 2.753 4.194 1.968 1.00 0.19 H new ATOM 0 HB2 LEU A 87 5.553 4.237 3.189 1.00 0.14 H new ATOM 0 HB3 LEU A 87 4.594 2.815 2.829 1.00 0.14 H new ATOM 0 HG LEU A 87 5.583 4.843 0.767 1.00 0.15 H new ATOM 0 HD11 LEU A 87 7.036 2.977 0.016 1.00 0.18 H new ATOM 0 HD12 LEU A 87 7.383 3.417 1.705 1.00 0.18 H new ATOM 0 HD13 LEU A 87 6.420 1.964 1.343 1.00 0.18 H new ATOM 0 HD21 LEU A 87 4.719 3.206 -0.886 1.00 0.32 H new ATOM 0 HD22 LEU A 87 4.102 2.193 0.441 1.00 0.32 H new ATOM 0 HD23 LEU A 87 3.411 3.809 0.160 1.00 0.32 H new ATOM 1407 N LYS A 88 3.709 5.678 4.756 1.00 0.16 N ATOM 1408 CA LYS A 88 3.307 5.860 6.179 1.00 0.20 C ATOM 1409 C LYS A 88 1.876 6.400 6.241 1.00 0.19 C ATOM 1410 O LYS A 88 1.166 6.192 7.204 1.00 0.23 O ATOM 1411 CB LYS A 88 4.255 6.853 6.854 1.00 0.36 C ATOM 1412 CG LYS A 88 4.969 6.166 8.020 1.00 0.51 C ATOM 1413 CD LYS A 88 5.836 7.187 8.761 1.00 0.73 C ATOM 1414 CE LYS A 88 7.300 6.747 8.710 1.00 1.13 C ATOM 1415 NZ LYS A 88 7.459 5.462 9.449 1.00 0.94 N ATOM 0 H LYS A 88 4.489 6.258 4.447 1.00 0.16 H new ATOM 0 HA LYS A 88 3.356 4.901 6.695 1.00 0.20 H new ATOM 0 HB2 LYS A 88 4.985 7.222 6.134 1.00 0.36 H new ATOM 0 HB3 LYS A 88 3.697 7.717 7.214 1.00 0.36 H new ATOM 0 HG2 LYS A 88 4.239 5.730 8.702 1.00 0.51 H new ATOM 0 HG3 LYS A 88 5.587 5.348 7.650 1.00 0.51 H new ATOM 0 HD2 LYS A 88 5.725 8.172 8.307 1.00 0.73 H new ATOM 0 HD3 LYS A 88 5.508 7.275 9.797 1.00 0.73 H new ATOM 0 HE2 LYS A 88 7.618 6.625 7.675 1.00 1.13 H new ATOM 0 HE3 LYS A 88 7.937 7.514 9.151 1.00 1.13 H new ATOM 0 HZ1 LYS A 88 8.431 5.388 9.812 1.00 0.94 H new ATOM 0 HZ2 LYS A 88 6.789 5.434 10.244 1.00 0.94 H new ATOM 0 HZ3 LYS A 88 7.268 4.666 8.807 1.00 0.94 H new ATOM 1429 N ARG A 89 1.448 7.095 5.223 1.00 0.19 N ATOM 1430 CA ARG A 89 0.063 7.646 5.229 1.00 0.23 C ATOM 1431 C ARG A 89 -0.934 6.534 4.899 1.00 0.19 C ATOM 1432 O ARG A 89 -1.734 6.137 5.723 1.00 0.17 O ATOM 1433 CB ARG A 89 -0.047 8.758 4.182 1.00 0.35 C ATOM 1434 CG ARG A 89 -1.478 9.299 4.161 1.00 0.73 C ATOM 1435 CD ARG A 89 -1.446 10.821 4.018 1.00 0.43 C ATOM 1436 NE ARG A 89 -0.958 11.430 5.288 1.00 0.89 N ATOM 1437 CZ ARG A 89 -0.568 12.674 5.309 1.00 1.23 C ATOM 1438 NH1 ARG A 89 -0.607 13.388 4.217 1.00 0.79 N ATOM 1439 NH2 ARG A 89 -0.140 13.207 6.420 1.00 2.17 N ATOM 0 H ARG A 89 1.996 7.305 4.389 1.00 0.19 H new ATOM 0 HA ARG A 89 -0.161 8.051 6.216 1.00 0.23 H new ATOM 0 HB2 ARG A 89 0.653 9.561 4.413 1.00 0.35 H new ATOM 0 HB3 ARG A 89 0.222 8.374 3.198 1.00 0.35 H new ATOM 0 HG2 ARG A 89 -2.033 8.857 3.334 1.00 0.73 H new ATOM 0 HG3 ARG A 89 -1.997 9.020 5.078 1.00 0.73 H new ATOM 0 HD2 ARG A 89 -0.794 11.106 3.192 1.00 0.43 H new ATOM 0 HD3 ARG A 89 -2.442 11.196 3.782 1.00 0.43 H new ATOM 0 HE ARG A 89 -0.929 10.873 6.142 1.00 0.89 H new ATOM 0 HH11 ARG A 89 -0.942 12.973 3.348 1.00 0.79 H new ATOM 0 HH12 ARG A 89 -0.302 14.361 4.233 1.00 0.79 H new ATOM 0 HH21 ARG A 89 -0.110 12.650 7.274 1.00 2.17 H new ATOM 0 HH22 ARG A 89 0.165 14.180 6.434 1.00 2.17 H new ATOM 1453 N LEU A 90 -0.894 6.025 3.696 1.00 0.26 N ATOM 1454 CA LEU A 90 -1.841 4.939 3.317 1.00 0.36 C ATOM 1455 C LEU A 90 -1.611 3.723 4.216 1.00 0.35 C ATOM 1456 O LEU A 90 -2.337 2.751 4.160 1.00 0.64 O ATOM 1457 CB LEU A 90 -1.612 4.547 1.855 1.00 0.41 C ATOM 1458 CG LEU A 90 -0.172 4.071 1.670 1.00 0.31 C ATOM 1459 CD1 LEU A 90 -0.148 2.546 1.554 1.00 0.38 C ATOM 1460 CD2 LEU A 90 0.408 4.687 0.396 1.00 0.28 C ATOM 0 H LEU A 90 -0.248 6.314 2.962 1.00 0.26 H new ATOM 0 HA LEU A 90 -2.865 5.292 3.441 1.00 0.36 H new ATOM 0 HB2 LEU A 90 -2.306 3.758 1.567 1.00 0.41 H new ATOM 0 HB3 LEU A 90 -1.810 5.399 1.204 1.00 0.41 H new ATOM 0 HG LEU A 90 0.425 4.379 2.529 1.00 0.31 H new ATOM 0 HD11 LEU A 90 0.880 2.207 1.422 1.00 0.38 H new ATOM 0 HD12 LEU A 90 -0.562 2.106 2.461 1.00 0.38 H new ATOM 0 HD13 LEU A 90 -0.745 2.237 0.696 1.00 0.38 H new ATOM 0 HD21 LEU A 90 1.435 4.348 0.263 1.00 0.28 H new ATOM 0 HD22 LEU A 90 -0.190 4.379 -0.462 1.00 0.28 H new ATOM 0 HD23 LEU A 90 0.392 5.774 0.478 1.00 0.28 H new ATOM 1472 N ASP A 91 -0.604 3.770 5.045 1.00 0.36 N ATOM 1473 CA ASP A 91 -0.329 2.615 5.946 1.00 0.45 C ATOM 1474 C ASP A 91 -1.421 2.525 7.013 1.00 0.34 C ATOM 1475 O ASP A 91 -1.959 1.469 7.276 1.00 0.25 O ATOM 1476 CB ASP A 91 1.029 2.810 6.624 1.00 0.63 C ATOM 1477 CG ASP A 91 1.041 2.076 7.965 1.00 1.03 C ATOM 1478 OD1 ASP A 91 0.432 2.576 8.898 1.00 2.18 O ATOM 1479 OD2 ASP A 91 1.659 1.026 8.038 1.00 0.78 O ATOM 0 H ASP A 91 0.039 4.556 5.137 1.00 0.36 H new ATOM 0 HA ASP A 91 -0.317 1.695 5.361 1.00 0.45 H new ATOM 0 HB2 ASP A 91 1.825 2.431 5.983 1.00 0.63 H new ATOM 0 HB3 ASP A 91 1.222 3.872 6.777 1.00 0.63 H new ATOM 1484 N ARG A 92 -1.754 3.626 7.632 1.00 0.40 N ATOM 1485 CA ARG A 92 -2.810 3.599 8.684 1.00 0.42 C ATOM 1486 C ARG A 92 -4.186 3.729 8.026 1.00 0.31 C ATOM 1487 O ARG A 92 -5.170 3.219 8.523 1.00 0.33 O ATOM 1488 CB ARG A 92 -2.605 4.767 9.660 1.00 0.62 C ATOM 1489 CG ARG A 92 -1.343 4.544 10.505 1.00 0.76 C ATOM 1490 CD ARG A 92 -0.134 5.175 9.810 1.00 1.63 C ATOM 1491 NE ARG A 92 -0.003 6.596 10.236 1.00 2.41 N ATOM 1492 CZ ARG A 92 1.109 7.243 10.017 1.00 4.02 C ATOM 1493 NH1 ARG A 92 2.107 6.644 9.425 1.00 5.14 N ATOM 1494 NH2 ARG A 92 1.224 8.488 10.388 1.00 4.79 N ATOM 0 H ARG A 92 -1.341 4.542 7.455 1.00 0.40 H new ATOM 0 HA ARG A 92 -2.748 2.657 9.229 1.00 0.42 H new ATOM 0 HB2 ARG A 92 -2.519 5.701 9.106 1.00 0.62 H new ATOM 0 HB3 ARG A 92 -3.474 4.862 10.311 1.00 0.62 H new ATOM 0 HG2 ARG A 92 -1.475 4.982 11.494 1.00 0.76 H new ATOM 0 HG3 ARG A 92 -1.175 3.477 10.649 1.00 0.76 H new ATOM 0 HD2 ARG A 92 0.772 4.624 10.061 1.00 1.63 H new ATOM 0 HD3 ARG A 92 -0.252 5.118 8.728 1.00 1.63 H new ATOM 0 HE ARG A 92 -0.782 7.064 10.699 1.00 2.41 H new ATOM 0 HH11 ARG A 92 2.017 5.671 9.134 1.00 5.14 H new ATOM 0 HH12 ARG A 92 2.976 7.150 9.254 1.00 5.14 H new ATOM 0 HH21 ARG A 92 0.445 8.957 10.850 1.00 4.79 H new ATOM 0 HH22 ARG A 92 2.093 8.993 10.217 1.00 4.79 H new ATOM 1508 N ASN A 93 -4.265 4.407 6.915 1.00 0.25 N ATOM 1509 CA ASN A 93 -5.583 4.565 6.235 1.00 0.15 C ATOM 1510 C ASN A 93 -6.152 3.185 5.899 1.00 0.13 C ATOM 1511 O ASN A 93 -7.253 2.846 6.286 1.00 0.20 O ATOM 1512 CB ASN A 93 -5.402 5.370 4.946 1.00 0.17 C ATOM 1513 CG ASN A 93 -4.440 6.532 5.197 1.00 0.49 C ATOM 1514 OD1 ASN A 93 -3.995 7.179 4.270 1.00 0.72 O ATOM 1515 ND2 ASN A 93 -4.098 6.828 6.422 1.00 1.39 N ATOM 0 H ASN A 93 -3.477 4.858 6.449 1.00 0.25 H new ATOM 0 HA ASN A 93 -6.271 5.091 6.897 1.00 0.15 H new ATOM 0 HB2 ASN A 93 -5.014 4.728 4.156 1.00 0.17 H new ATOM 0 HB3 ASN A 93 -6.365 5.749 4.604 1.00 0.17 H new ATOM 0 HD21 ASN A 93 -3.458 7.602 6.600 1.00 1.39 H new ATOM 0 HD22 ASN A 93 -4.471 6.285 7.201 1.00 1.39 H new ATOM 1522 N LEU A 94 -5.411 2.386 5.181 1.00 0.15 N ATOM 1523 CA LEU A 94 -5.912 1.029 4.821 1.00 0.27 C ATOM 1524 C LEU A 94 -6.138 0.215 6.097 1.00 0.40 C ATOM 1525 O LEU A 94 -7.145 -0.448 6.251 1.00 0.72 O ATOM 1526 CB LEU A 94 -4.879 0.320 3.941 1.00 0.40 C ATOM 1527 CG LEU A 94 -4.615 1.151 2.682 1.00 0.41 C ATOM 1528 CD1 LEU A 94 -3.537 0.469 1.838 1.00 0.58 C ATOM 1529 CD2 LEU A 94 -5.902 1.271 1.859 1.00 0.48 C ATOM 0 H LEU A 94 -4.481 2.614 4.828 1.00 0.15 H new ATOM 0 HA LEU A 94 -6.852 1.121 4.276 1.00 0.27 H new ATOM 0 HB2 LEU A 94 -3.951 0.178 4.495 1.00 0.40 H new ATOM 0 HB3 LEU A 94 -5.241 -0.671 3.665 1.00 0.40 H new ATOM 0 HG LEU A 94 -4.279 2.146 2.974 1.00 0.41 H new ATOM 0 HD11 LEU A 94 -3.349 1.060 0.942 1.00 0.58 H new ATOM 0 HD12 LEU A 94 -2.618 0.387 2.418 1.00 0.58 H new ATOM 0 HD13 LEU A 94 -3.875 -0.527 1.552 1.00 0.58 H new ATOM 0 HD21 LEU A 94 -5.708 1.863 0.965 1.00 0.48 H new ATOM 0 HD22 LEU A 94 -6.243 0.277 1.569 1.00 0.48 H new ATOM 0 HD23 LEU A 94 -6.672 1.758 2.457 1.00 0.48 H new ATOM 1541 N TRP A 95 -5.209 0.257 7.012 1.00 0.26 N ATOM 1542 CA TRP A 95 -5.373 -0.516 8.275 1.00 0.35 C ATOM 1543 C TRP A 95 -6.357 0.210 9.195 1.00 0.32 C ATOM 1544 O TRP A 95 -6.762 -0.306 10.218 1.00 0.43 O ATOM 1545 CB TRP A 95 -4.018 -0.641 8.976 1.00 0.47 C ATOM 1546 CG TRP A 95 -4.228 -1.038 10.402 1.00 0.41 C ATOM 1547 CD1 TRP A 95 -4.435 -0.178 11.425 1.00 0.53 C ATOM 1548 CD2 TRP A 95 -4.257 -2.376 10.979 1.00 0.29 C ATOM 1549 NE1 TRP A 95 -4.590 -0.902 12.594 1.00 0.53 N ATOM 1550 CE2 TRP A 95 -4.488 -2.261 12.370 1.00 0.38 C ATOM 1551 CE3 TRP A 95 -4.107 -3.664 10.435 1.00 0.15 C ATOM 1552 CZ2 TRP A 95 -4.566 -3.386 13.194 1.00 0.38 C ATOM 1553 CZ3 TRP A 95 -4.185 -4.797 11.261 1.00 0.11 C ATOM 1554 CH2 TRP A 95 -4.415 -4.658 12.637 1.00 0.26 C ATOM 0 H TRP A 95 -4.344 0.793 6.940 1.00 0.26 H new ATOM 0 HA TRP A 95 -5.757 -1.510 8.045 1.00 0.35 H new ATOM 0 HB2 TRP A 95 -3.401 -1.382 8.468 1.00 0.47 H new ATOM 0 HB3 TRP A 95 -3.482 0.307 8.927 1.00 0.47 H new ATOM 0 HD1 TRP A 95 -4.473 0.898 11.343 1.00 0.53 H new ATOM 0 HE1 TRP A 95 -4.759 -0.483 13.509 1.00 0.53 H new ATOM 0 HE3 TRP A 95 -3.931 -3.783 9.376 1.00 0.15 H new ATOM 0 HZ2 TRP A 95 -4.742 -3.273 14.254 1.00 0.38 H new ATOM 0 HZ3 TRP A 95 -4.067 -5.782 10.834 1.00 0.11 H new ATOM 0 HH2 TRP A 95 -4.475 -5.534 13.266 1.00 0.26 H new ATOM 1565 N GLY A 96 -6.744 1.405 8.841 1.00 0.23 N ATOM 1566 CA GLY A 96 -7.702 2.162 9.695 1.00 0.32 C ATOM 1567 C GLY A 96 -9.100 1.556 9.560 1.00 0.41 C ATOM 1568 O GLY A 96 -9.625 0.971 10.487 1.00 0.58 O ATOM 0 H GLY A 96 -6.438 1.890 7.997 1.00 0.23 H new ATOM 0 HA2 GLY A 96 -7.380 2.131 10.736 1.00 0.32 H new ATOM 0 HA3 GLY A 96 -7.719 3.211 9.398 1.00 0.32 H new ATOM 1572 N LEU A 97 -9.707 1.691 8.414 1.00 0.36 N ATOM 1573 CA LEU A 97 -11.071 1.124 8.223 1.00 0.49 C ATOM 1574 C LEU A 97 -11.036 -0.388 8.453 1.00 0.49 C ATOM 1575 O LEU A 97 -12.045 -1.062 8.375 1.00 0.56 O ATOM 1576 CB LEU A 97 -11.569 1.423 6.800 1.00 0.53 C ATOM 1577 CG LEU A 97 -10.496 1.053 5.760 1.00 0.38 C ATOM 1578 CD1 LEU A 97 -10.323 -0.469 5.671 1.00 0.33 C ATOM 1579 CD2 LEU A 97 -10.923 1.588 4.391 1.00 0.51 C ATOM 0 H LEU A 97 -9.318 2.169 7.602 1.00 0.36 H new ATOM 0 HA LEU A 97 -11.752 1.582 8.940 1.00 0.49 H new ATOM 0 HB2 LEU A 97 -12.482 0.861 6.603 1.00 0.53 H new ATOM 0 HB3 LEU A 97 -11.819 2.480 6.711 1.00 0.53 H new ATOM 0 HG LEU A 97 -9.547 1.495 6.064 1.00 0.38 H new ATOM 0 HD11 LEU A 97 -9.560 -0.706 4.930 1.00 0.33 H new ATOM 0 HD12 LEU A 97 -10.018 -0.858 6.643 1.00 0.33 H new ATOM 0 HD13 LEU A 97 -11.268 -0.926 5.377 1.00 0.33 H new ATOM 0 HD21 LEU A 97 -10.168 1.330 3.648 1.00 0.51 H new ATOM 0 HD22 LEU A 97 -11.877 1.144 4.108 1.00 0.51 H new ATOM 0 HD23 LEU A 97 -11.028 2.672 4.441 1.00 0.51 H new ATOM 1591 N ALA A 98 -9.883 -0.929 8.735 1.00 0.42 N ATOM 1592 CA ALA A 98 -9.786 -2.398 8.969 1.00 0.45 C ATOM 1593 C ALA A 98 -10.285 -2.724 10.377 1.00 0.50 C ATOM 1594 O ALA A 98 -11.104 -3.601 10.568 1.00 0.85 O ATOM 1595 CB ALA A 98 -8.328 -2.841 8.828 1.00 0.43 C ATOM 0 H ALA A 98 -9.004 -0.418 8.814 1.00 0.42 H new ATOM 0 HA ALA A 98 -10.398 -2.924 8.237 1.00 0.45 H new ATOM 0 HB1 ALA A 98 -8.256 -3.915 8.999 1.00 0.43 H new ATOM 0 HB2 ALA A 98 -7.973 -2.609 7.824 1.00 0.43 H new ATOM 0 HB3 ALA A 98 -7.716 -2.315 9.560 1.00 0.43 H new ATOM 1601 N GLY A 99 -9.798 -2.025 11.366 1.00 0.26 N ATOM 1602 CA GLY A 99 -10.246 -2.296 12.762 1.00 0.26 C ATOM 1603 C GLY A 99 -10.057 -3.781 13.080 1.00 0.24 C ATOM 1604 O GLY A 99 -10.601 -4.293 14.038 1.00 0.56 O ATOM 0 H GLY A 99 -9.110 -1.279 11.268 1.00 0.26 H new ATOM 0 HA2 GLY A 99 -9.675 -1.688 13.463 1.00 0.26 H new ATOM 0 HA3 GLY A 99 -11.294 -2.019 12.879 1.00 0.26 H new ATOM 1608 N LEU A 100 -9.291 -4.476 12.285 1.00 0.20 N ATOM 1609 CA LEU A 100 -9.069 -5.926 12.543 1.00 0.25 C ATOM 1610 C LEU A 100 -7.925 -6.095 13.545 1.00 0.31 C ATOM 1611 O LEU A 100 -6.765 -6.090 13.185 1.00 0.81 O ATOM 1612 CB LEU A 100 -8.708 -6.629 11.233 1.00 0.29 C ATOM 1613 CG LEU A 100 -9.827 -7.596 10.846 1.00 0.31 C ATOM 1614 CD1 LEU A 100 -9.564 -8.148 9.444 1.00 0.46 C ATOM 1615 CD2 LEU A 100 -9.869 -8.753 11.849 1.00 0.26 C ATOM 0 H LEU A 100 -8.809 -4.102 11.468 1.00 0.20 H new ATOM 0 HA LEU A 100 -9.979 -6.366 12.951 1.00 0.25 H new ATOM 0 HB2 LEU A 100 -8.559 -5.893 10.442 1.00 0.29 H new ATOM 0 HB3 LEU A 100 -7.768 -7.170 11.346 1.00 0.29 H new ATOM 0 HG LEU A 100 -10.781 -7.069 10.855 1.00 0.31 H new ATOM 0 HD11 LEU A 100 -10.362 -8.837 9.169 1.00 0.46 H new ATOM 0 HD12 LEU A 100 -9.532 -7.326 8.729 1.00 0.46 H new ATOM 0 HD13 LEU A 100 -8.610 -8.675 9.433 1.00 0.46 H new ATOM 0 HD21 LEU A 100 -10.666 -9.444 11.575 1.00 0.26 H new ATOM 0 HD22 LEU A 100 -8.914 -9.279 11.838 1.00 0.26 H new ATOM 0 HD23 LEU A 100 -10.056 -8.361 12.849 1.00 0.26 H new ATOM 1627 N ASN A 101 -8.242 -6.244 14.802 1.00 0.35 N ATOM 1628 CA ASN A 101 -7.172 -6.413 15.825 1.00 0.35 C ATOM 1629 C ASN A 101 -6.316 -7.630 15.473 1.00 0.28 C ATOM 1630 O ASN A 101 -5.170 -7.504 15.090 1.00 0.22 O ATOM 1631 CB ASN A 101 -7.810 -6.619 17.201 1.00 0.47 C ATOM 1632 CG ASN A 101 -8.216 -5.264 17.785 1.00 1.16 C ATOM 1633 OD1 ASN A 101 -8.511 -5.159 18.958 1.00 1.34 O ATOM 1634 ND2 ASN A 101 -8.244 -4.216 17.009 1.00 1.95 N ATOM 0 H ASN A 101 -9.195 -6.256 15.165 1.00 0.35 H new ATOM 0 HA ASN A 101 -6.545 -5.522 15.844 1.00 0.35 H new ATOM 0 HB2 ASN A 101 -8.683 -7.266 17.115 1.00 0.47 H new ATOM 0 HB3 ASN A 101 -7.107 -7.118 17.868 1.00 0.47 H new ATOM 0 HD21 ASN A 101 -8.514 -3.308 17.388 1.00 1.95 H new ATOM 0 HD22 ASN A 101 -7.996 -4.304 16.024 1.00 1.95 H new ATOM 1641 N SER A 102 -6.862 -8.809 15.599 1.00 0.36 N ATOM 1642 CA SER A 102 -6.078 -10.032 15.270 1.00 0.38 C ATOM 1643 C SER A 102 -6.083 -10.250 13.756 1.00 0.38 C ATOM 1644 O SER A 102 -7.124 -10.350 13.137 1.00 0.37 O ATOM 1645 CB SER A 102 -6.706 -11.242 15.962 1.00 0.51 C ATOM 1646 OG SER A 102 -8.107 -11.249 15.714 1.00 1.86 O ATOM 0 H SER A 102 -7.817 -8.977 15.916 1.00 0.36 H new ATOM 0 HA SER A 102 -5.051 -9.909 15.615 1.00 0.38 H new ATOM 0 HB2 SER A 102 -6.255 -12.162 15.592 1.00 0.51 H new ATOM 0 HB3 SER A 102 -6.515 -11.202 17.034 1.00 0.51 H new ATOM 0 HG SER A 102 -8.275 -11.005 14.780 1.00 1.86 H new ATOM 1652 N CYS A 103 -4.927 -10.324 13.154 1.00 0.39 N ATOM 1653 CA CYS A 103 -4.868 -10.535 11.680 1.00 0.39 C ATOM 1654 C CYS A 103 -3.452 -10.967 11.276 1.00 0.41 C ATOM 1655 O CYS A 103 -2.750 -10.222 10.621 1.00 0.48 O ATOM 1656 CB CYS A 103 -5.215 -9.224 10.971 1.00 0.46 C ATOM 1657 SG CYS A 103 -4.898 -9.396 9.197 1.00 0.23 S ATOM 0 H CYS A 103 -4.022 -10.248 13.619 1.00 0.39 H new ATOM 0 HA CYS A 103 -5.579 -11.311 11.396 1.00 0.39 H new ATOM 0 HB2 CYS A 103 -6.262 -8.972 11.142 1.00 0.46 H new ATOM 0 HB3 CYS A 103 -4.620 -8.408 11.380 1.00 0.46 H new ATOM 1662 N PRO A 104 -3.066 -12.156 11.680 1.00 0.37 N ATOM 1663 CA PRO A 104 -1.726 -12.685 11.363 1.00 0.43 C ATOM 1664 C PRO A 104 -1.568 -12.847 9.848 1.00 0.43 C ATOM 1665 O PRO A 104 -2.517 -13.120 9.140 1.00 0.33 O ATOM 1666 CB PRO A 104 -1.665 -14.049 12.061 1.00 0.40 C ATOM 1667 CG PRO A 104 -3.022 -14.275 12.775 1.00 0.32 C ATOM 1668 CD PRO A 104 -3.916 -13.061 12.479 1.00 0.30 C ATOM 0 HA PRO A 104 -0.928 -12.021 11.696 1.00 0.43 H new ATOM 0 HB2 PRO A 104 -1.478 -14.841 11.336 1.00 0.40 H new ATOM 0 HB3 PRO A 104 -0.846 -14.074 12.780 1.00 0.40 H new ATOM 0 HG2 PRO A 104 -3.493 -15.192 12.420 1.00 0.32 H new ATOM 0 HG3 PRO A 104 -2.874 -14.388 13.849 1.00 0.32 H new ATOM 0 HD2 PRO A 104 -4.811 -13.353 11.929 1.00 0.30 H new ATOM 0 HD3 PRO A 104 -4.250 -12.581 13.399 1.00 0.30 H new ATOM 1676 N VAL A 105 -0.375 -12.681 9.347 1.00 0.54 N ATOM 1677 CA VAL A 105 -0.155 -12.826 7.880 1.00 0.54 C ATOM 1678 C VAL A 105 0.263 -14.263 7.566 1.00 0.52 C ATOM 1679 O VAL A 105 0.983 -14.889 8.318 1.00 0.62 O ATOM 1680 CB VAL A 105 0.947 -11.864 7.432 1.00 0.67 C ATOM 1681 CG1 VAL A 105 2.312 -12.431 7.828 1.00 0.66 C ATOM 1682 CG2 VAL A 105 0.888 -11.695 5.913 1.00 0.94 C ATOM 0 H VAL A 105 0.457 -12.451 9.890 1.00 0.54 H new ATOM 0 HA VAL A 105 -1.078 -12.593 7.350 1.00 0.54 H new ATOM 0 HB VAL A 105 0.802 -10.896 7.913 1.00 0.67 H new ATOM 0 HG11 VAL A 105 3.097 -11.746 7.509 1.00 0.66 H new ATOM 0 HG12 VAL A 105 2.355 -12.553 8.910 1.00 0.66 H new ATOM 0 HG13 VAL A 105 2.457 -13.398 7.347 1.00 0.66 H new ATOM 0 HG21 VAL A 105 1.673 -11.010 5.592 1.00 0.94 H new ATOM 0 HG22 VAL A 105 1.033 -12.663 5.433 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -0.084 -11.292 5.629 1.00 0.94 H new ATOM 1692 N LYS A 106 -0.182 -14.792 6.458 1.00 0.50 N ATOM 1693 CA LYS A 106 0.191 -16.189 6.098 1.00 0.47 C ATOM 1694 C LYS A 106 1.452 -16.170 5.229 1.00 0.55 C ATOM 1695 O LYS A 106 2.436 -15.542 5.566 1.00 0.76 O ATOM 1696 CB LYS A 106 -0.963 -16.839 5.328 1.00 0.38 C ATOM 1697 CG LYS A 106 -0.835 -18.363 5.399 1.00 0.30 C ATOM 1698 CD LYS A 106 -1.910 -19.009 4.524 1.00 0.34 C ATOM 1699 CE LYS A 106 -1.245 -19.830 3.419 1.00 1.63 C ATOM 1700 NZ LYS A 106 -0.398 -20.892 4.032 1.00 2.29 N ATOM 0 H LYS A 106 -0.787 -14.317 5.788 1.00 0.50 H new ATOM 0 HA LYS A 106 0.388 -16.763 7.003 1.00 0.47 H new ATOM 0 HB2 LYS A 106 -1.918 -16.524 5.750 1.00 0.38 H new ATOM 0 HB3 LYS A 106 -0.950 -16.511 4.289 1.00 0.38 H new ATOM 0 HG2 LYS A 106 0.155 -18.671 5.063 1.00 0.30 H new ATOM 0 HG3 LYS A 106 -0.941 -18.699 6.430 1.00 0.30 H new ATOM 0 HD2 LYS A 106 -2.551 -19.648 5.131 1.00 0.34 H new ATOM 0 HD3 LYS A 106 -2.548 -18.241 4.087 1.00 0.34 H new ATOM 0 HE2 LYS A 106 -2.004 -20.279 2.778 1.00 1.63 H new ATOM 0 HE3 LYS A 106 -0.636 -19.184 2.787 1.00 1.63 H new ATOM 0 HZ1 LYS A 106 -0.389 -21.729 3.414 1.00 2.29 H new ATOM 0 HZ2 LYS A 106 0.573 -20.538 4.149 1.00 2.29 H new ATOM 0 HZ3 LYS A 106 -0.786 -21.152 4.961 1.00 2.29 H new ATOM 1714 N GLU A 107 1.431 -16.853 4.115 1.00 0.42 N ATOM 1715 CA GLU A 107 2.628 -16.875 3.225 1.00 0.53 C ATOM 1716 C GLU A 107 2.174 -16.873 1.763 1.00 0.16 C ATOM 1717 O GLU A 107 1.063 -17.250 1.448 1.00 0.60 O ATOM 1718 CB GLU A 107 3.447 -18.139 3.501 1.00 0.99 C ATOM 1719 CG GLU A 107 4.392 -17.890 4.678 1.00 1.51 C ATOM 1720 CD GLU A 107 5.524 -16.961 4.237 1.00 3.15 C ATOM 1721 OE1 GLU A 107 6.483 -17.457 3.670 1.00 3.36 O ATOM 1722 OE2 GLU A 107 5.412 -15.769 4.474 1.00 4.50 O ATOM 0 H GLU A 107 0.635 -17.397 3.783 1.00 0.42 H new ATOM 0 HA GLU A 107 3.241 -15.995 3.419 1.00 0.53 H new ATOM 0 HB2 GLU A 107 2.783 -18.974 3.725 1.00 0.99 H new ATOM 0 HB3 GLU A 107 4.018 -18.415 2.615 1.00 0.99 H new ATOM 0 HG2 GLU A 107 3.845 -17.445 5.509 1.00 1.51 H new ATOM 0 HG3 GLU A 107 4.801 -18.835 5.035 1.00 1.51 H new ATOM 1729 N ALA A 108 3.025 -16.449 0.869 1.00 0.34 N ATOM 1730 CA ALA A 108 2.641 -16.422 -0.570 1.00 0.17 C ATOM 1731 C ALA A 108 3.901 -16.470 -1.436 1.00 0.24 C ATOM 1732 O ALA A 108 4.948 -16.910 -1.002 1.00 0.33 O ATOM 1733 CB ALA A 108 1.867 -15.136 -0.868 1.00 0.43 C ATOM 0 H ALA A 108 3.969 -16.120 1.073 1.00 0.34 H new ATOM 0 HA ALA A 108 2.013 -17.284 -0.794 1.00 0.17 H new ATOM 0 HB1 ALA A 108 1.586 -15.116 -1.921 1.00 0.43 H new ATOM 0 HB2 ALA A 108 0.968 -15.101 -0.252 1.00 0.43 H new ATOM 0 HB3 ALA A 108 2.494 -14.273 -0.644 1.00 0.43 H new ATOM 1739 N ASP A 109 3.810 -16.023 -2.659 1.00 0.25 N ATOM 1740 CA ASP A 109 5.003 -16.044 -3.551 1.00 0.32 C ATOM 1741 C ASP A 109 5.736 -14.704 -3.454 1.00 0.28 C ATOM 1742 O ASP A 109 6.216 -14.323 -2.405 1.00 0.28 O ATOM 1743 CB ASP A 109 4.555 -16.276 -4.996 1.00 0.41 C ATOM 1744 CG ASP A 109 3.687 -17.534 -5.066 1.00 0.28 C ATOM 1745 OD1 ASP A 109 3.390 -18.084 -4.019 1.00 0.93 O ATOM 1746 OD2 ASP A 109 3.336 -17.926 -6.167 1.00 0.53 O ATOM 0 H ASP A 109 2.961 -15.644 -3.079 1.00 0.25 H new ATOM 0 HA ASP A 109 5.672 -16.848 -3.244 1.00 0.32 H new ATOM 0 HB2 ASP A 109 3.994 -15.414 -5.357 1.00 0.41 H new ATOM 0 HB3 ASP A 109 5.424 -16.385 -5.644 1.00 0.41 H new ATOM 1751 N GLN A 110 5.828 -13.988 -4.541 1.00 0.25 N ATOM 1752 CA GLN A 110 6.531 -12.674 -4.511 1.00 0.21 C ATOM 1753 C GLN A 110 5.889 -11.730 -5.529 1.00 0.15 C ATOM 1754 O GLN A 110 5.115 -12.141 -6.370 1.00 0.29 O ATOM 1755 CB GLN A 110 8.007 -12.878 -4.863 1.00 0.21 C ATOM 1756 CG GLN A 110 8.869 -11.945 -4.010 1.00 0.62 C ATOM 1757 CD GLN A 110 8.915 -12.465 -2.572 1.00 1.81 C ATOM 1758 OE1 GLN A 110 9.049 -13.651 -2.347 1.00 2.12 O ATOM 1759 NE2 GLN A 110 8.810 -11.621 -1.582 1.00 3.21 N ATOM 0 H GLN A 110 5.447 -14.256 -5.448 1.00 0.25 H new ATOM 0 HA GLN A 110 6.452 -12.241 -3.514 1.00 0.21 H new ATOM 0 HB2 GLN A 110 8.293 -13.915 -4.689 1.00 0.21 H new ATOM 0 HB3 GLN A 110 8.171 -12.675 -5.921 1.00 0.21 H new ATOM 0 HG2 GLN A 110 9.877 -11.888 -4.420 1.00 0.62 H new ATOM 0 HG3 GLN A 110 8.460 -10.935 -4.030 1.00 0.62 H new ATOM 0 HE21 GLN A 110 8.697 -10.625 -1.771 1.00 3.21 H new ATOM 0 HE22 GLN A 110 8.841 -11.957 -0.620 1.00 3.21 H new ATOM 1768 N SER A 111 6.204 -10.465 -5.460 1.00 0.18 N ATOM 1769 CA SER A 111 5.612 -9.496 -6.425 1.00 0.14 C ATOM 1770 C SER A 111 6.452 -8.218 -6.445 1.00 0.08 C ATOM 1771 O SER A 111 7.189 -7.933 -5.522 1.00 0.24 O ATOM 1772 CB SER A 111 4.183 -9.159 -5.996 1.00 0.29 C ATOM 1773 OG SER A 111 4.116 -9.119 -4.577 1.00 0.48 O ATOM 0 H SER A 111 6.845 -10.061 -4.777 1.00 0.18 H new ATOM 0 HA SER A 111 5.599 -9.938 -7.421 1.00 0.14 H new ATOM 0 HB2 SER A 111 3.883 -8.198 -6.413 1.00 0.29 H new ATOM 0 HB3 SER A 111 3.489 -9.905 -6.383 1.00 0.29 H new ATOM 0 HG SER A 111 3.252 -8.749 -4.301 1.00 0.48 H new ATOM 1779 N THR A 112 6.348 -7.445 -7.492 1.00 0.19 N ATOM 1780 CA THR A 112 7.142 -6.185 -7.571 1.00 0.20 C ATOM 1781 C THR A 112 6.307 -5.023 -7.032 1.00 0.19 C ATOM 1782 O THR A 112 5.132 -4.907 -7.313 1.00 0.19 O ATOM 1783 CB THR A 112 7.518 -5.911 -9.029 1.00 0.28 C ATOM 1784 OG1 THR A 112 6.423 -6.248 -9.870 1.00 0.39 O ATOM 1785 CG2 THR A 112 8.736 -6.752 -9.412 1.00 0.17 C ATOM 0 H THR A 112 5.748 -7.631 -8.296 1.00 0.19 H new ATOM 0 HA THR A 112 8.049 -6.288 -6.975 1.00 0.20 H new ATOM 0 HB THR A 112 7.758 -4.855 -9.150 1.00 0.28 H new ATOM 0 HG1 THR A 112 6.661 -6.072 -10.804 1.00 0.39 H new ATOM 0 HG21 THR A 112 9.002 -6.555 -10.451 1.00 0.17 H new ATOM 0 HG22 THR A 112 9.575 -6.492 -8.767 1.00 0.17 H new ATOM 0 HG23 THR A 112 8.500 -7.809 -9.292 1.00 0.17 H new ATOM 1793 N LEU A 113 6.906 -4.158 -6.260 1.00 0.17 N ATOM 1794 CA LEU A 113 6.147 -3.003 -5.703 1.00 0.17 C ATOM 1795 C LEU A 113 5.389 -2.303 -6.833 1.00 0.15 C ATOM 1796 O LEU A 113 4.330 -1.741 -6.630 1.00 0.16 O ATOM 1797 CB LEU A 113 7.125 -2.019 -5.053 1.00 0.16 C ATOM 1798 CG LEU A 113 6.355 -0.880 -4.372 1.00 0.14 C ATOM 1799 CD1 LEU A 113 5.499 -1.433 -3.228 1.00 0.29 C ATOM 1800 CD2 LEU A 113 7.349 0.139 -3.810 1.00 0.16 C ATOM 0 H LEU A 113 7.889 -4.201 -5.991 1.00 0.17 H new ATOM 0 HA LEU A 113 5.437 -3.356 -4.955 1.00 0.17 H new ATOM 0 HB2 LEU A 113 7.743 -2.539 -4.321 1.00 0.16 H new ATOM 0 HB3 LEU A 113 7.799 -1.612 -5.807 1.00 0.16 H new ATOM 0 HG LEU A 113 5.706 -0.401 -5.105 1.00 0.14 H new ATOM 0 HD11 LEU A 113 4.957 -0.616 -2.752 1.00 0.29 H new ATOM 0 HD12 LEU A 113 4.788 -2.159 -3.623 1.00 0.29 H new ATOM 0 HD13 LEU A 113 6.142 -1.918 -2.494 1.00 0.29 H new ATOM 0 HD21 LEU A 113 6.804 0.949 -3.326 1.00 0.16 H new ATOM 0 HD22 LEU A 113 7.997 -0.349 -3.082 1.00 0.16 H new ATOM 0 HD23 LEU A 113 7.954 0.543 -4.622 1.00 0.16 H new ATOM 1812 N GLU A 114 5.923 -2.329 -8.024 1.00 0.15 N ATOM 1813 CA GLU A 114 5.233 -1.662 -9.165 1.00 0.14 C ATOM 1814 C GLU A 114 3.949 -2.422 -9.500 1.00 0.17 C ATOM 1815 O GLU A 114 2.858 -1.987 -9.183 1.00 0.18 O ATOM 1816 CB GLU A 114 6.157 -1.654 -10.385 1.00 0.14 C ATOM 1817 CG GLU A 114 5.627 -0.662 -11.421 1.00 0.23 C ATOM 1818 CD GLU A 114 6.412 0.648 -11.323 1.00 1.59 C ATOM 1819 OE1 GLU A 114 6.405 1.241 -10.257 1.00 2.86 O ATOM 1820 OE2 GLU A 114 7.006 1.034 -12.316 1.00 1.56 O ATOM 0 H GLU A 114 6.806 -2.783 -8.256 1.00 0.15 H new ATOM 0 HA GLU A 114 4.985 -0.637 -8.891 1.00 0.14 H new ATOM 0 HB2 GLU A 114 7.168 -1.378 -10.086 1.00 0.14 H new ATOM 0 HB3 GLU A 114 6.213 -2.653 -10.818 1.00 0.14 H new ATOM 0 HG2 GLU A 114 5.722 -1.081 -12.423 1.00 0.23 H new ATOM 0 HG3 GLU A 114 4.566 -0.476 -11.252 1.00 0.23 H new ATOM 1827 N ASN A 115 4.065 -3.555 -10.137 1.00 0.20 N ATOM 1828 CA ASN A 115 2.847 -4.339 -10.491 1.00 0.24 C ATOM 1829 C ASN A 115 1.964 -4.487 -9.251 1.00 0.20 C ATOM 1830 O ASN A 115 0.768 -4.277 -9.299 1.00 0.25 O ATOM 1831 CB ASN A 115 3.260 -5.724 -10.992 1.00 0.28 C ATOM 1832 CG ASN A 115 4.114 -5.578 -12.253 1.00 0.21 C ATOM 1833 OD1 ASN A 115 4.343 -6.538 -12.961 1.00 0.68 O ATOM 1834 ND2 ASN A 115 4.599 -4.407 -12.565 1.00 1.19 N ATOM 0 H ASN A 115 4.949 -3.972 -10.428 1.00 0.20 H new ATOM 0 HA ASN A 115 2.293 -3.821 -11.274 1.00 0.24 H new ATOM 0 HB2 ASN A 115 3.821 -6.249 -10.219 1.00 0.28 H new ATOM 0 HB3 ASN A 115 2.375 -6.323 -11.207 1.00 0.28 H new ATOM 0 HD21 ASN A 115 5.170 -4.298 -13.403 1.00 1.19 H new ATOM 0 HD22 ASN A 115 4.407 -3.601 -11.971 1.00 1.19 H new ATOM 1841 N PHE A 116 2.545 -4.846 -8.139 1.00 0.17 N ATOM 1842 CA PHE A 116 1.742 -5.007 -6.895 1.00 0.15 C ATOM 1843 C PHE A 116 0.828 -3.792 -6.721 1.00 0.17 C ATOM 1844 O PHE A 116 -0.337 -3.920 -6.397 1.00 0.19 O ATOM 1845 CB PHE A 116 2.682 -5.114 -5.692 1.00 0.14 C ATOM 1846 CG PHE A 116 1.875 -5.089 -4.417 1.00 0.11 C ATOM 1847 CD1 PHE A 116 1.436 -3.869 -3.889 1.00 0.16 C ATOM 1848 CD2 PHE A 116 1.568 -6.287 -3.760 1.00 0.06 C ATOM 1849 CE1 PHE A 116 0.689 -3.846 -2.707 1.00 0.13 C ATOM 1850 CE2 PHE A 116 0.820 -6.264 -2.577 1.00 0.06 C ATOM 1851 CZ PHE A 116 0.381 -5.044 -2.049 1.00 0.05 C ATOM 0 H PHE A 116 3.542 -5.035 -8.039 1.00 0.17 H new ATOM 0 HA PHE A 116 1.138 -5.911 -6.965 1.00 0.15 H new ATOM 0 HB2 PHE A 116 3.261 -6.036 -5.750 1.00 0.14 H new ATOM 0 HB3 PHE A 116 3.395 -4.289 -5.700 1.00 0.14 H new ATOM 0 HD1 PHE A 116 1.674 -2.945 -4.395 1.00 0.16 H new ATOM 0 HD2 PHE A 116 1.908 -7.228 -4.166 1.00 0.06 H new ATOM 0 HE1 PHE A 116 0.349 -2.904 -2.301 1.00 0.13 H new ATOM 0 HE2 PHE A 116 0.581 -7.188 -2.071 1.00 0.06 H new ATOM 0 HZ PHE A 116 -0.195 -5.026 -1.135 1.00 0.05 H new ATOM 1861 N LEU A 117 1.346 -2.613 -6.933 1.00 0.20 N ATOM 1862 CA LEU A 117 0.506 -1.392 -6.782 1.00 0.22 C ATOM 1863 C LEU A 117 -0.549 -1.359 -7.890 1.00 0.29 C ATOM 1864 O LEU A 117 -1.612 -0.793 -7.732 1.00 0.37 O ATOM 1865 CB LEU A 117 1.392 -0.147 -6.885 1.00 0.25 C ATOM 1866 CG LEU A 117 1.795 0.315 -5.482 1.00 0.26 C ATOM 1867 CD1 LEU A 117 3.037 1.202 -5.576 1.00 0.24 C ATOM 1868 CD2 LEU A 117 0.648 1.113 -4.855 1.00 0.33 C ATOM 0 H LEU A 117 2.314 -2.443 -7.204 1.00 0.20 H new ATOM 0 HA LEU A 117 0.013 -1.408 -5.810 1.00 0.22 H new ATOM 0 HB2 LEU A 117 2.281 -0.369 -7.475 1.00 0.25 H new ATOM 0 HB3 LEU A 117 0.858 0.650 -7.402 1.00 0.25 H new ATOM 0 HG LEU A 117 2.013 -0.555 -4.863 1.00 0.26 H new ATOM 0 HD11 LEU A 117 3.325 1.532 -4.578 1.00 0.24 H new ATOM 0 HD12 LEU A 117 3.855 0.636 -6.022 1.00 0.24 H new ATOM 0 HD13 LEU A 117 2.817 2.071 -6.196 1.00 0.24 H new ATOM 0 HD21 LEU A 117 0.936 1.441 -3.856 1.00 0.33 H new ATOM 0 HD22 LEU A 117 0.429 1.983 -5.474 1.00 0.33 H new ATOM 0 HD23 LEU A 117 -0.239 0.483 -4.788 1.00 0.33 H new ATOM 1880 N GLU A 118 -0.263 -1.965 -9.010 1.00 0.28 N ATOM 1881 CA GLU A 118 -1.250 -1.969 -10.127 1.00 0.35 C ATOM 1882 C GLU A 118 -2.456 -2.826 -9.738 1.00 0.35 C ATOM 1883 O GLU A 118 -3.545 -2.327 -9.535 1.00 0.41 O ATOM 1884 CB GLU A 118 -0.596 -2.548 -11.383 1.00 0.40 C ATOM 1885 CG GLU A 118 -1.485 -2.270 -12.597 1.00 0.58 C ATOM 1886 CD GLU A 118 -0.767 -2.722 -13.870 1.00 1.26 C ATOM 1887 OE1 GLU A 118 -0.499 -3.906 -13.986 1.00 2.62 O ATOM 1888 OE2 GLU A 118 -0.498 -1.875 -14.707 1.00 1.29 O ATOM 0 H GLU A 118 0.610 -2.457 -9.200 1.00 0.28 H new ATOM 0 HA GLU A 118 -1.578 -0.949 -10.326 1.00 0.35 H new ATOM 0 HB2 GLU A 118 0.388 -2.104 -11.531 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -0.447 -3.621 -11.266 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -2.433 -2.798 -12.495 1.00 0.58 H new ATOM 0 HG3 GLU A 118 -1.717 -1.206 -12.656 1.00 0.58 H new ATOM 1895 N ARG A 119 -2.271 -4.114 -9.634 1.00 0.32 N ATOM 1896 CA ARG A 119 -3.408 -5.001 -9.258 1.00 0.31 C ATOM 1897 C ARG A 119 -4.120 -4.426 -8.033 1.00 0.28 C ATOM 1898 O ARG A 119 -5.329 -4.482 -7.923 1.00 0.29 O ATOM 1899 CB ARG A 119 -2.878 -6.399 -8.930 1.00 0.28 C ATOM 1900 CG ARG A 119 -1.884 -6.310 -7.771 1.00 0.21 C ATOM 1901 CD ARG A 119 -1.080 -7.608 -7.685 1.00 0.21 C ATOM 1902 NE ARG A 119 -1.881 -8.727 -8.257 1.00 0.61 N ATOM 1903 CZ ARG A 119 -1.301 -9.855 -8.564 1.00 0.62 C ATOM 1904 NH1 ARG A 119 -0.019 -10.004 -8.369 1.00 0.32 N ATOM 1905 NH2 ARG A 119 -2.002 -10.835 -9.065 1.00 0.97 N ATOM 0 H ARG A 119 -1.383 -4.590 -9.793 1.00 0.32 H new ATOM 0 HA ARG A 119 -4.110 -5.064 -10.090 1.00 0.31 H new ATOM 0 HB2 ARG A 119 -3.704 -7.059 -8.665 1.00 0.28 H new ATOM 0 HB3 ARG A 119 -2.394 -6.830 -9.806 1.00 0.28 H new ATOM 0 HG2 ARG A 119 -1.213 -5.464 -7.918 1.00 0.21 H new ATOM 0 HG3 ARG A 119 -2.415 -6.137 -6.835 1.00 0.21 H new ATOM 0 HD2 ARG A 119 -0.141 -7.504 -8.229 1.00 0.21 H new ATOM 0 HD3 ARG A 119 -0.825 -7.822 -6.647 1.00 0.21 H new ATOM 0 HE ARG A 119 -2.883 -8.611 -8.409 1.00 0.61 H new ATOM 0 HH11 ARG A 119 0.530 -9.239 -7.977 1.00 0.32 H new ATOM 0 HH12 ARG A 119 0.434 -10.886 -8.609 1.00 0.32 H new ATOM 0 HH21 ARG A 119 -3.004 -10.720 -9.217 1.00 0.97 H new ATOM 0 HH22 ARG A 119 -1.548 -11.716 -9.305 1.00 0.97 H new ATOM 1919 N LEU A 120 -3.381 -3.873 -7.110 1.00 0.25 N ATOM 1920 CA LEU A 120 -4.017 -3.294 -5.894 1.00 0.22 C ATOM 1921 C LEU A 120 -4.849 -2.074 -6.293 1.00 0.18 C ATOM 1922 O LEU A 120 -6.044 -2.027 -6.079 1.00 0.18 O ATOM 1923 CB LEU A 120 -2.929 -2.872 -4.903 1.00 0.23 C ATOM 1924 CG LEU A 120 -3.517 -2.765 -3.491 1.00 0.22 C ATOM 1925 CD1 LEU A 120 -2.399 -2.448 -2.497 1.00 0.24 C ATOM 1926 CD2 LEU A 120 -4.567 -1.650 -3.442 1.00 0.18 C ATOM 0 H LEU A 120 -2.364 -3.797 -7.146 1.00 0.25 H new ATOM 0 HA LEU A 120 -4.662 -4.038 -5.427 1.00 0.22 H new ATOM 0 HB2 LEU A 120 -2.116 -3.598 -4.913 1.00 0.23 H new ATOM 0 HB3 LEU A 120 -2.505 -1.914 -5.203 1.00 0.23 H new ATOM 0 HG LEU A 120 -3.987 -3.713 -3.229 1.00 0.22 H new ATOM 0 HD11 LEU A 120 -2.816 -2.372 -1.493 1.00 0.24 H new ATOM 0 HD12 LEU A 120 -1.654 -3.243 -2.521 1.00 0.24 H new ATOM 0 HD13 LEU A 120 -1.929 -1.503 -2.768 1.00 0.24 H new ATOM 0 HD21 LEU A 120 -4.979 -1.582 -2.435 1.00 0.18 H new ATOM 0 HD22 LEU A 120 -4.102 -0.701 -3.709 1.00 0.18 H new ATOM 0 HD23 LEU A 120 -5.368 -1.873 -4.147 1.00 0.18 H new ATOM 1938 N LYS A 121 -4.227 -1.084 -6.873 1.00 0.17 N ATOM 1939 CA LYS A 121 -4.983 0.131 -7.286 1.00 0.15 C ATOM 1940 C LYS A 121 -6.216 -0.284 -8.092 1.00 0.16 C ATOM 1941 O LYS A 121 -7.285 0.271 -7.938 1.00 0.16 O ATOM 1942 CB LYS A 121 -4.087 1.023 -8.148 1.00 0.16 C ATOM 1943 CG LYS A 121 -4.791 2.355 -8.408 1.00 0.17 C ATOM 1944 CD LYS A 121 -4.782 2.654 -9.908 1.00 0.76 C ATOM 1945 CE LYS A 121 -3.338 2.745 -10.403 1.00 0.70 C ATOM 1946 NZ LYS A 121 -3.142 4.031 -11.130 1.00 0.94 N ATOM 0 H LYS A 121 -3.228 -1.065 -7.078 1.00 0.17 H new ATOM 0 HA LYS A 121 -5.297 0.681 -6.399 1.00 0.15 H new ATOM 0 HB2 LYS A 121 -3.135 1.195 -7.645 1.00 0.16 H new ATOM 0 HB3 LYS A 121 -3.863 0.527 -9.093 1.00 0.16 H new ATOM 0 HG2 LYS A 121 -5.817 2.314 -8.041 1.00 0.17 H new ATOM 0 HG3 LYS A 121 -4.290 3.155 -7.864 1.00 0.17 H new ATOM 0 HD2 LYS A 121 -5.314 1.871 -10.449 1.00 0.76 H new ATOM 0 HD3 LYS A 121 -5.305 3.590 -10.106 1.00 0.76 H new ATOM 0 HE2 LYS A 121 -2.649 2.682 -9.561 1.00 0.70 H new ATOM 0 HE3 LYS A 121 -3.114 1.905 -11.061 1.00 0.70 H new ATOM 0 HZ1 LYS A 121 -2.160 4.093 -11.467 1.00 0.94 H new ATOM 0 HZ2 LYS A 121 -3.790 4.073 -11.942 1.00 0.94 H new ATOM 0 HZ3 LYS A 121 -3.339 4.826 -10.489 1.00 0.94 H new ATOM 1960 N THR A 122 -6.075 -1.257 -8.951 1.00 0.22 N ATOM 1961 CA THR A 122 -7.239 -1.704 -9.764 1.00 0.24 C ATOM 1962 C THR A 122 -8.314 -2.284 -8.843 1.00 0.28 C ATOM 1963 O THR A 122 -9.474 -1.941 -8.935 1.00 0.28 O ATOM 1964 CB THR A 122 -6.788 -2.777 -10.759 1.00 0.28 C ATOM 1965 OG1 THR A 122 -5.491 -2.456 -11.242 1.00 0.38 O ATOM 1966 CG2 THR A 122 -7.771 -2.835 -11.930 1.00 0.24 C ATOM 0 H THR A 122 -5.205 -1.760 -9.124 1.00 0.22 H new ATOM 0 HA THR A 122 -7.647 -0.853 -10.308 1.00 0.24 H new ATOM 0 HB THR A 122 -6.762 -3.747 -10.262 1.00 0.28 H new ATOM 0 HG1 THR A 122 -4.816 -2.814 -10.629 1.00 0.38 H new ATOM 0 HG21 THR A 122 -7.449 -3.599 -12.638 1.00 0.24 H new ATOM 0 HG22 THR A 122 -8.766 -3.081 -11.558 1.00 0.24 H new ATOM 0 HG23 THR A 122 -7.799 -1.867 -12.430 1.00 0.24 H new ATOM 1974 N ILE A 123 -7.935 -3.161 -7.951 1.00 0.32 N ATOM 1975 CA ILE A 123 -8.938 -3.758 -7.024 1.00 0.37 C ATOM 1976 C ILE A 123 -9.804 -2.646 -6.432 1.00 0.36 C ATOM 1977 O ILE A 123 -11.004 -2.779 -6.307 1.00 0.36 O ATOM 1978 CB ILE A 123 -8.215 -4.498 -5.897 1.00 0.49 C ATOM 1979 CG1 ILE A 123 -7.814 -5.894 -6.380 1.00 0.63 C ATOM 1980 CG2 ILE A 123 -9.146 -4.626 -4.691 1.00 0.65 C ATOM 1981 CD1 ILE A 123 -6.701 -6.443 -5.487 1.00 0.64 C ATOM 0 H ILE A 123 -6.977 -3.488 -7.825 1.00 0.32 H new ATOM 0 HA ILE A 123 -9.568 -4.459 -7.571 1.00 0.37 H new ATOM 0 HB ILE A 123 -7.323 -3.941 -5.610 1.00 0.49 H new ATOM 0 HG12 ILE A 123 -8.676 -6.560 -6.356 1.00 0.63 H new ATOM 0 HG13 ILE A 123 -7.475 -5.849 -7.415 1.00 0.63 H new ATOM 0 HG21 ILE A 123 -8.631 -5.153 -3.888 1.00 0.65 H new ATOM 0 HG22 ILE A 123 -9.434 -3.633 -4.347 1.00 0.65 H new ATOM 0 HG23 ILE A 123 -10.038 -5.183 -4.977 1.00 0.65 H new ATOM 0 HD11 ILE A 123 -6.416 -7.437 -5.831 1.00 0.64 H new ATOM 0 HD12 ILE A 123 -5.837 -5.781 -5.534 1.00 0.64 H new ATOM 0 HD13 ILE A 123 -7.056 -6.503 -4.458 1.00 0.64 H new ATOM 1993 N MET A 124 -9.204 -1.544 -6.072 1.00 0.40 N ATOM 1994 CA MET A 124 -9.994 -0.422 -5.494 1.00 0.48 C ATOM 1995 C MET A 124 -10.998 0.072 -6.536 1.00 0.45 C ATOM 1996 O MET A 124 -12.177 0.196 -6.269 1.00 0.61 O ATOM 1997 CB MET A 124 -9.054 0.721 -5.108 1.00 0.47 C ATOM 1998 CG MET A 124 -8.283 0.343 -3.841 1.00 0.47 C ATOM 1999 SD MET A 124 -9.400 0.396 -2.417 1.00 1.02 S ATOM 2000 CE MET A 124 -8.144 0.720 -1.156 1.00 0.46 C ATOM 0 H MET A 124 -8.202 -1.373 -6.153 1.00 0.40 H new ATOM 0 HA MET A 124 -10.525 -0.766 -4.606 1.00 0.48 H new ATOM 0 HB2 MET A 124 -8.359 0.925 -5.922 1.00 0.47 H new ATOM 0 HB3 MET A 124 -9.625 1.634 -4.940 1.00 0.47 H new ATOM 0 HG2 MET A 124 -7.857 -0.655 -3.946 1.00 0.47 H new ATOM 0 HG3 MET A 124 -7.451 1.031 -3.690 1.00 0.47 H new ATOM 0 HE1 MET A 124 -8.625 1.087 -0.249 1.00 0.46 H new ATOM 0 HE2 MET A 124 -7.606 -0.201 -0.933 1.00 0.46 H new ATOM 0 HE3 MET A 124 -7.443 1.469 -1.524 1.00 0.46 H new ATOM 2010 N ARG A 125 -10.540 0.353 -7.726 1.00 0.32 N ATOM 2011 CA ARG A 125 -11.468 0.835 -8.787 1.00 0.42 C ATOM 2012 C ARG A 125 -12.596 -0.182 -8.973 1.00 0.40 C ATOM 2013 O ARG A 125 -13.650 0.133 -9.489 1.00 0.58 O ATOM 2014 CB ARG A 125 -10.701 0.989 -10.103 1.00 0.44 C ATOM 2015 CG ARG A 125 -10.989 2.363 -10.711 1.00 0.99 C ATOM 2016 CD ARG A 125 -10.288 3.443 -9.886 1.00 0.63 C ATOM 2017 NE ARG A 125 -9.128 3.978 -10.654 1.00 1.07 N ATOM 2018 CZ ARG A 125 -8.565 5.098 -10.291 1.00 1.67 C ATOM 2019 NH1 ARG A 125 -9.018 5.750 -9.256 1.00 2.17 N ATOM 2020 NH2 ARG A 125 -7.548 5.566 -10.964 1.00 2.57 N ATOM 0 H ARG A 125 -9.563 0.269 -8.009 1.00 0.32 H new ATOM 0 HA ARG A 125 -11.888 1.798 -8.495 1.00 0.42 H new ATOM 0 HB2 ARG A 125 -9.631 0.876 -9.927 1.00 0.44 H new ATOM 0 HB3 ARG A 125 -10.994 0.204 -10.800 1.00 0.44 H new ATOM 0 HG2 ARG A 125 -10.641 2.396 -11.743 1.00 0.99 H new ATOM 0 HG3 ARG A 125 -12.063 2.546 -10.731 1.00 0.99 H new ATOM 0 HD2 ARG A 125 -10.985 4.247 -9.652 1.00 0.63 H new ATOM 0 HD3 ARG A 125 -9.949 3.028 -8.936 1.00 0.63 H new ATOM 0 HE ARG A 125 -8.774 3.469 -11.464 1.00 1.07 H new ATOM 0 HH11 ARG A 125 -9.812 5.384 -8.731 1.00 2.17 H new ATOM 0 HH12 ARG A 125 -8.578 6.625 -8.972 1.00 2.17 H new ATOM 0 HH21 ARG A 125 -7.194 5.056 -11.773 1.00 2.57 H new ATOM 0 HH22 ARG A 125 -7.108 6.441 -10.680 1.00 2.57 H new ATOM 2034 N GLU A 126 -12.382 -1.400 -8.556 1.00 0.29 N ATOM 2035 CA GLU A 126 -13.439 -2.438 -8.707 1.00 0.35 C ATOM 2036 C GLU A 126 -14.435 -2.326 -7.551 1.00 0.46 C ATOM 2037 O GLU A 126 -15.633 -2.396 -7.743 1.00 0.40 O ATOM 2038 CB GLU A 126 -12.795 -3.826 -8.691 1.00 0.40 C ATOM 2039 CG GLU A 126 -13.530 -4.742 -9.672 1.00 0.39 C ATOM 2040 CD GLU A 126 -13.208 -6.202 -9.347 1.00 0.47 C ATOM 2041 OE1 GLU A 126 -12.118 -6.453 -8.861 1.00 1.00 O ATOM 2042 OE2 GLU A 126 -14.058 -7.043 -9.590 1.00 1.11 O ATOM 0 H GLU A 126 -11.519 -1.721 -8.117 1.00 0.29 H new ATOM 0 HA GLU A 126 -13.962 -2.289 -9.652 1.00 0.35 H new ATOM 0 HB2 GLU A 126 -11.742 -3.753 -8.964 1.00 0.40 H new ATOM 0 HB3 GLU A 126 -12.835 -4.245 -7.686 1.00 0.40 H new ATOM 0 HG2 GLU A 126 -14.605 -4.573 -9.608 1.00 0.39 H new ATOM 0 HG3 GLU A 126 -13.231 -4.512 -10.695 1.00 0.39 H new ATOM 2049 N LYS A 127 -13.950 -2.151 -6.352 1.00 0.66 N ATOM 2050 CA LYS A 127 -14.870 -2.036 -5.186 1.00 0.80 C ATOM 2051 C LYS A 127 -15.240 -0.568 -4.970 1.00 0.82 C ATOM 2052 O LYS A 127 -16.057 -0.241 -4.131 1.00 0.94 O ATOM 2053 CB LYS A 127 -14.176 -2.577 -3.934 1.00 0.81 C ATOM 2054 CG LYS A 127 -13.438 -3.872 -4.279 1.00 0.79 C ATOM 2055 CD LYS A 127 -13.553 -4.853 -3.110 1.00 0.90 C ATOM 2056 CE LYS A 127 -12.965 -4.218 -1.850 1.00 2.60 C ATOM 2057 NZ LYS A 127 -14.072 -3.790 -0.946 1.00 4.22 N ATOM 0 H LYS A 127 -12.957 -2.083 -6.130 1.00 0.66 H new ATOM 0 HA LYS A 127 -15.774 -2.613 -5.379 1.00 0.80 H new ATOM 0 HB2 LYS A 127 -13.474 -1.838 -3.546 1.00 0.81 H new ATOM 0 HB3 LYS A 127 -14.910 -2.762 -3.150 1.00 0.81 H new ATOM 0 HG2 LYS A 127 -13.860 -4.314 -5.181 1.00 0.79 H new ATOM 0 HG3 LYS A 127 -12.389 -3.661 -4.488 1.00 0.79 H new ATOM 0 HD2 LYS A 127 -14.598 -5.116 -2.944 1.00 0.90 H new ATOM 0 HD3 LYS A 127 -13.025 -5.777 -3.344 1.00 0.90 H new ATOM 0 HE2 LYS A 127 -12.318 -4.931 -1.338 1.00 2.60 H new ATOM 0 HE3 LYS A 127 -12.347 -3.361 -2.116 1.00 2.60 H new ATOM 0 HZ1 LYS A 127 -14.015 -2.763 -0.789 1.00 4.22 H new ATOM 0 HZ2 LYS A 127 -14.987 -4.023 -1.383 1.00 4.22 H new ATOM 0 HZ3 LYS A 127 -13.987 -4.285 -0.035 1.00 4.22 H new ATOM 2071 N TYR A 128 -14.647 0.322 -5.718 1.00 0.75 N ATOM 2072 CA TYR A 128 -14.967 1.767 -5.553 1.00 0.82 C ATOM 2073 C TYR A 128 -16.219 2.109 -6.364 1.00 1.11 C ATOM 2074 O TYR A 128 -16.442 3.245 -6.729 1.00 1.45 O ATOM 2075 CB TYR A 128 -13.790 2.611 -6.050 1.00 0.67 C ATOM 2076 CG TYR A 128 -14.070 4.071 -5.788 1.00 0.79 C ATOM 2077 CD1 TYR A 128 -14.017 4.570 -4.481 1.00 0.67 C ATOM 2078 CD2 TYR A 128 -14.384 4.927 -6.850 1.00 1.14 C ATOM 2079 CE1 TYR A 128 -14.276 5.924 -4.236 1.00 0.76 C ATOM 2080 CE2 TYR A 128 -14.643 6.281 -6.606 1.00 1.28 C ATOM 2081 CZ TYR A 128 -14.589 6.779 -5.298 1.00 1.05 C ATOM 2082 OH TYR A 128 -14.844 8.114 -5.057 1.00 1.18 O ATOM 0 H TYR A 128 -13.955 0.110 -6.436 1.00 0.75 H new ATOM 0 HA TYR A 128 -15.148 1.981 -4.499 1.00 0.82 H new ATOM 0 HB2 TYR A 128 -12.873 2.309 -5.544 1.00 0.67 H new ATOM 0 HB3 TYR A 128 -13.635 2.445 -7.116 1.00 0.67 H new ATOM 0 HD1 TYR A 128 -13.776 3.910 -3.661 1.00 0.67 H new ATOM 0 HD2 TYR A 128 -14.427 4.543 -7.858 1.00 1.14 H new ATOM 0 HE1 TYR A 128 -14.234 6.308 -3.227 1.00 0.76 H new ATOM 0 HE2 TYR A 128 -14.884 6.941 -7.426 1.00 1.28 H new ATOM 0 HH TYR A 128 -15.043 8.567 -5.903 1.00 1.18 H new