USER MOD reduce.3.24.130724 H: found=0, std=0, add=1370, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1371 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 134 MET CE :methyl -156:sc= -1.13 (180deg=-1.04) USER MOD Set 1.2: A 188 HIS : no HE2:sc= -1.27 K(o=-2.4,f=-3) USER MOD Set 2.1: A 113 MET CE :methyl -177:sc= -0.13 (180deg=-0.248) USER MOD Set 2.2: A 124 HIS :FLIP no HD1:sc= -0.526 F(o=-1.3,f=-0.66) USER MOD Set 3.1: A 5 SER OG : rot 79:sc= 1.28 USER MOD Set 3.2: A 75 ASN : amide:sc= 1.1 K(o=2.4,f=-2.3) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0551 USER MOD Single : A 12 ASN : amide:sc= 0.155 K(o=0.15,f=-4.5!) USER MOD Single : A 15 LYS NZ :NH3+ -149:sc= 0.41 (180deg=0.0784) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 168:sc= -2.96 (180deg=-3.22!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -46:sc= 0.149 USER MOD Single : A 24 MET CE :methyl 179:sc= 0 (180deg=-0.000922) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot -9:sc= -0.592 USER MOD Single : A 31 MET CE :methyl 172:sc= -3.39! (180deg=-3.68) USER MOD Single : A 45 ASN : amide:sc= -0.0377 X(o=-0.038,f=-0.02) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0128) USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= 1.24 (180deg=1.1) USER MOD Single : A 66 LYS NZ :NH3+ -151:sc= 0.204 (180deg=-2.71!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 166:sc= -0.0817 (180deg=-0.446) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 173:sc= -2.8! (180deg=-3.11!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 155:sc= -0.158 (180deg=-0.918) USER MOD Single : A 85 GLN : amide:sc= 0.941 K(o=0.94,f=-4.1!) USER MOD Single : A 89 LYS NZ :NH3+ -119:sc= 1.22 (180deg=-0.919) USER MOD Single : A 92 MET CE :methyl 163:sc= -2.91! (180deg=-3.07) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 140:sc= -2.43! (180deg=-4.51!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -145:sc= -4.04! (180deg=-4.65!) USER MOD Single : A 105 SER OG : rot -79:sc= 1.44 USER MOD Single : A 106 LYS NZ :NH3+ -157:sc= -0.0559 (180deg=-0.925!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= -2.76! USER MOD Single : A 111 MET CE :methyl 170:sc= -2.11 (180deg=-2.2!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 CYS SG : rot -126:sc= -1.66! USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.0865 K(o=-0.087,f=-6.4!) USER MOD Single : A 127 TYR OH : rot 130:sc= 0 USER MOD Single : A 128 SER OG : rot -116:sc= -2.32! USER MOD Single : A 137 LYS NZ :NH3+ -140:sc= 0.629 (180deg=-0.118) USER MOD Single : A 138 LYS NZ :NH3+ 149:sc= -0.68 (180deg=-1.24!) USER MOD Single : A 172 ASN : amide:sc= -1.35 K(o=-1.3,f=-5.2!) USER MOD Single : A 176 HIS : no HD1:sc= -7.91! C(o=-7.9!,f=-11!) USER MOD Single : A 179 THR OG1 : rot 56:sc= 0.756 USER MOD Single : A 183 GLN : amide:sc= -1.98 K(o=-2,f=-4.7) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ -161:sc= -0.087 (180deg=-0.423) USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 2 -29.115 1.553 7.060 1.00 1.00 N ATOM 107 CA VAL A 2 -27.927 1.196 7.795 1.00 0.98 C ATOM 108 C VAL A 2 -26.889 0.743 6.785 1.00 0.79 C ATOM 109 O VAL A 2 -26.338 -0.350 6.867 1.00 0.92 O ATOM 110 CB VAL A 2 -28.186 0.077 8.834 1.00 1.21 C ATOM 111 CG1 VAL A 2 -29.087 0.579 9.947 1.00 1.56 C ATOM 112 CG2 VAL A 2 -28.793 -1.153 8.172 1.00 1.32 C ATOM 0 HA VAL A 2 -27.583 2.062 8.360 1.00 0.98 H new ATOM 0 HB VAL A 2 -27.227 -0.209 9.266 1.00 1.21 H new ATOM 0 HG11 VAL A 2 -29.257 -0.222 10.667 1.00 1.56 H new ATOM 0 HG12 VAL A 2 -28.611 1.422 10.448 1.00 1.56 H new ATOM 0 HG13 VAL A 2 -30.041 0.898 9.527 1.00 1.56 H new ATOM 0 HG21 VAL A 2 -28.965 -1.923 8.924 1.00 1.32 H new ATOM 0 HG22 VAL A 2 -29.740 -0.884 7.705 1.00 1.32 H new ATOM 0 HG23 VAL A 2 -28.109 -1.533 7.413 1.00 1.32 H new ATOM 122 N ALA A 3 -26.665 1.589 5.798 1.00 0.66 N ATOM 123 CA ALA A 3 -25.736 1.294 4.737 1.00 0.55 C ATOM 124 C ALA A 3 -24.911 2.522 4.446 1.00 0.60 C ATOM 125 O ALA A 3 -25.368 3.652 4.632 1.00 1.10 O ATOM 126 CB ALA A 3 -26.468 0.831 3.486 1.00 0.63 C ATOM 0 H ALA A 3 -27.123 2.496 5.714 1.00 0.66 H new ATOM 0 HA ALA A 3 -25.080 0.483 5.053 1.00 0.55 H new ATOM 0 HB1 ALA A 3 -25.744 0.615 2.700 1.00 0.63 H new ATOM 0 HB2 ALA A 3 -27.039 -0.070 3.711 1.00 0.63 H new ATOM 0 HB3 ALA A 3 -27.145 1.616 3.149 1.00 0.63 H new ATOM 132 N LEU A 4 -23.707 2.300 3.990 1.00 0.45 N ATOM 133 CA LEU A 4 -22.790 3.378 3.718 1.00 0.41 C ATOM 134 C LEU A 4 -22.516 3.448 2.227 1.00 0.39 C ATOM 135 O LEU A 4 -22.218 2.436 1.595 1.00 0.38 O ATOM 136 CB LEU A 4 -21.493 3.171 4.495 1.00 0.41 C ATOM 137 CG LEU A 4 -21.612 3.287 6.018 1.00 0.56 C ATOM 138 CD1 LEU A 4 -20.251 3.110 6.671 1.00 1.16 C ATOM 139 CD2 LEU A 4 -22.228 4.622 6.414 1.00 1.46 C ATOM 0 H LEU A 4 -23.334 1.371 3.797 1.00 0.45 H new ATOM 0 HA LEU A 4 -23.234 4.321 4.038 1.00 0.41 H new ATOM 0 HB2 LEU A 4 -21.098 2.184 4.253 1.00 0.41 H new ATOM 0 HB3 LEU A 4 -20.762 3.901 4.148 1.00 0.41 H new ATOM 0 HG LEU A 4 -22.271 2.494 6.371 1.00 0.56 H new ATOM 0 HD11 LEU A 4 -20.353 3.195 7.753 1.00 1.16 H new ATOM 0 HD12 LEU A 4 -19.852 2.127 6.420 1.00 1.16 H new ATOM 0 HD13 LEU A 4 -19.571 3.881 6.309 1.00 1.16 H new ATOM 0 HD21 LEU A 4 -22.302 4.681 7.500 1.00 1.46 H new ATOM 0 HD22 LEU A 4 -21.600 5.435 6.049 1.00 1.46 H new ATOM 0 HD23 LEU A 4 -23.223 4.707 5.977 1.00 1.46 H new ATOM 151 N SER A 5 -22.619 4.640 1.676 1.00 0.41 N ATOM 152 CA SER A 5 -22.407 4.836 0.253 1.00 0.42 C ATOM 153 C SER A 5 -20.950 5.178 0.015 1.00 0.37 C ATOM 154 O SER A 5 -20.508 6.285 0.324 1.00 0.42 O ATOM 155 CB SER A 5 -23.314 5.943 -0.282 1.00 0.51 C ATOM 156 OG SER A 5 -24.681 5.629 -0.074 1.00 1.28 O ATOM 0 H SER A 5 -22.848 5.490 2.191 1.00 0.41 H new ATOM 0 HA SER A 5 -22.657 3.918 -0.279 1.00 0.42 H new ATOM 0 HB2 SER A 5 -23.075 6.884 0.213 1.00 0.51 H new ATOM 0 HB3 SER A 5 -23.129 6.086 -1.347 1.00 0.51 H new ATOM 0 HG SER A 5 -24.920 5.809 0.859 1.00 1.28 H new ATOM 162 N LEU A 6 -20.196 4.224 -0.499 1.00 0.31 N ATOM 163 CA LEU A 6 -18.768 4.406 -0.649 1.00 0.28 C ATOM 164 C LEU A 6 -18.389 4.495 -2.117 1.00 0.28 C ATOM 165 O LEU A 6 -18.744 3.626 -2.919 1.00 0.31 O ATOM 166 CB LEU A 6 -18.014 3.260 0.033 1.00 0.26 C ATOM 167 CG LEU A 6 -18.408 3.001 1.493 1.00 0.33 C ATOM 168 CD1 LEU A 6 -17.549 1.905 2.100 1.00 0.61 C ATOM 169 CD2 LEU A 6 -18.302 4.275 2.316 1.00 0.62 C ATOM 0 H LEU A 6 -20.548 3.321 -0.817 1.00 0.31 H new ATOM 0 HA LEU A 6 -18.486 5.343 -0.169 1.00 0.28 H new ATOM 0 HB2 LEU A 6 -18.178 2.347 -0.539 1.00 0.26 H new ATOM 0 HB3 LEU A 6 -16.946 3.474 -0.007 1.00 0.26 H new ATOM 0 HG LEU A 6 -19.446 2.669 1.505 1.00 0.33 H new ATOM 0 HD11 LEU A 6 -17.848 1.740 3.135 1.00 0.61 H new ATOM 0 HD12 LEU A 6 -17.681 0.983 1.533 1.00 0.61 H new ATOM 0 HD13 LEU A 6 -16.501 2.204 2.068 1.00 0.61 H new ATOM 0 HD21 LEU A 6 -18.586 4.067 3.347 1.00 0.62 H new ATOM 0 HD22 LEU A 6 -17.276 4.641 2.289 1.00 0.62 H new ATOM 0 HD23 LEU A 6 -18.968 5.032 1.902 1.00 0.62 H new ATOM 181 N LYS A 7 -17.692 5.565 -2.469 1.00 0.29 N ATOM 182 CA LYS A 7 -17.173 5.719 -3.815 1.00 0.31 C ATOM 183 C LYS A 7 -15.921 4.881 -3.979 1.00 0.29 C ATOM 184 O LYS A 7 -14.862 5.226 -3.462 1.00 0.31 O ATOM 185 CB LYS A 7 -16.862 7.184 -4.128 1.00 0.39 C ATOM 186 CG LYS A 7 -18.060 7.978 -4.614 1.00 0.52 C ATOM 187 CD LYS A 7 -17.661 9.391 -4.999 1.00 0.63 C ATOM 188 CE LYS A 7 -18.749 10.078 -5.805 1.00 0.94 C ATOM 189 NZ LYS A 7 -18.378 11.473 -6.159 1.00 1.72 N ATOM 0 H LYS A 7 -17.474 6.338 -1.840 1.00 0.29 H new ATOM 0 HA LYS A 7 -17.937 5.380 -4.514 1.00 0.31 H new ATOM 0 HB2 LYS A 7 -16.463 7.660 -3.232 1.00 0.39 H new ATOM 0 HB3 LYS A 7 -16.080 7.225 -4.886 1.00 0.39 H new ATOM 0 HG2 LYS A 7 -18.508 7.477 -5.472 1.00 0.52 H new ATOM 0 HG3 LYS A 7 -18.819 8.012 -3.832 1.00 0.52 H new ATOM 0 HD2 LYS A 7 -17.454 9.969 -4.099 1.00 0.63 H new ATOM 0 HD3 LYS A 7 -16.739 9.364 -5.580 1.00 0.63 H new ATOM 0 HE2 LYS A 7 -18.939 9.510 -6.716 1.00 0.94 H new ATOM 0 HE3 LYS A 7 -19.677 10.083 -5.233 1.00 0.94 H new ATOM 0 HZ1 LYS A 7 -19.146 11.908 -6.709 1.00 1.72 H new ATOM 0 HZ2 LYS A 7 -18.221 12.022 -5.290 1.00 1.72 H new ATOM 0 HZ3 LYS A 7 -17.507 11.467 -6.727 1.00 1.72 H new ATOM 203 N ILE A 8 -16.049 3.779 -4.688 1.00 0.28 N ATOM 204 CA ILE A 8 -14.949 2.859 -4.871 1.00 0.28 C ATOM 205 C ILE A 8 -14.106 3.285 -6.060 1.00 0.31 C ATOM 206 O ILE A 8 -14.451 3.020 -7.210 1.00 0.34 O ATOM 207 CB ILE A 8 -15.447 1.414 -5.096 1.00 0.33 C ATOM 208 CG1 ILE A 8 -16.379 0.977 -3.958 1.00 0.58 C ATOM 209 CG2 ILE A 8 -14.267 0.467 -5.219 1.00 0.32 C ATOM 210 CD1 ILE A 8 -15.741 1.024 -2.587 1.00 0.51 C ATOM 0 H ILE A 8 -16.913 3.498 -5.151 1.00 0.28 H new ATOM 0 HA ILE A 8 -14.350 2.880 -3.961 1.00 0.28 H new ATOM 0 HB ILE A 8 -16.015 1.383 -6.026 1.00 0.33 H new ATOM 0 HG12 ILE A 8 -17.261 1.617 -3.959 1.00 0.58 H new ATOM 0 HG13 ILE A 8 -16.722 -0.039 -4.153 1.00 0.58 H new ATOM 0 HG21 ILE A 8 -14.630 -0.548 -5.377 1.00 0.32 H new ATOM 0 HG22 ILE A 8 -13.647 0.766 -6.064 1.00 0.32 H new ATOM 0 HG23 ILE A 8 -13.675 0.502 -4.304 1.00 0.32 H new ATOM 0 HD11 ILE A 8 -16.464 0.701 -1.838 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -14.876 0.362 -2.566 1.00 0.51 H new ATOM 0 HD13 ILE A 8 -15.423 2.043 -2.368 1.00 0.51 H new ATOM 222 N SER A 9 -13.015 3.967 -5.787 1.00 0.33 N ATOM 223 CA SER A 9 -12.132 4.413 -6.842 1.00 0.39 C ATOM 224 C SER A 9 -11.104 3.332 -7.144 1.00 0.37 C ATOM 225 O SER A 9 -10.194 3.095 -6.360 1.00 0.45 O ATOM 226 CB SER A 9 -11.453 5.727 -6.445 1.00 0.46 C ATOM 227 OG SER A 9 -10.859 5.630 -5.160 1.00 1.48 O ATOM 0 H SER A 9 -12.719 4.224 -4.845 1.00 0.33 H new ATOM 0 HA SER A 9 -12.713 4.597 -7.746 1.00 0.39 H new ATOM 0 HB2 SER A 9 -10.692 5.983 -7.182 1.00 0.46 H new ATOM 0 HB3 SER A 9 -12.186 6.534 -6.450 1.00 0.46 H new ATOM 0 HG SER A 9 -10.431 6.482 -4.932 1.00 1.48 H new ATOM 233 N ILE A 10 -11.276 2.645 -8.259 1.00 0.40 N ATOM 234 CA ILE A 10 -10.335 1.615 -8.656 1.00 0.42 C ATOM 235 C ILE A 10 -9.327 2.203 -9.634 1.00 0.50 C ATOM 236 O ILE A 10 -9.579 2.282 -10.837 1.00 0.53 O ATOM 237 CB ILE A 10 -11.042 0.394 -9.286 1.00 0.40 C ATOM 238 CG1 ILE A 10 -12.094 -0.162 -8.319 1.00 0.38 C ATOM 239 CG2 ILE A 10 -10.026 -0.684 -9.645 1.00 0.45 C ATOM 240 CD1 ILE A 10 -12.881 -1.333 -8.869 1.00 0.43 C ATOM 0 H ILE A 10 -12.055 2.781 -8.903 1.00 0.40 H new ATOM 0 HA ILE A 10 -9.823 1.262 -7.761 1.00 0.42 H new ATOM 0 HB ILE A 10 -11.541 0.713 -10.201 1.00 0.40 H new ATOM 0 HG12 ILE A 10 -11.599 -0.471 -7.399 1.00 0.38 H new ATOM 0 HG13 ILE A 10 -12.788 0.636 -8.055 1.00 0.38 H new ATOM 0 HG21 ILE A 10 -10.541 -1.537 -10.087 1.00 0.45 H new ATOM 0 HG22 ILE A 10 -9.307 -0.283 -10.360 1.00 0.45 H new ATOM 0 HG23 ILE A 10 -9.502 -1.004 -8.745 1.00 0.45 H new ATOM 0 HD11 ILE A 10 -13.604 -1.667 -8.125 1.00 0.43 H new ATOM 0 HD12 ILE A 10 -13.407 -1.026 -9.773 1.00 0.43 H new ATOM 0 HD13 ILE A 10 -12.200 -2.150 -9.106 1.00 0.43 H new ATOM 252 N GLY A 11 -8.203 2.655 -9.099 1.00 0.59 N ATOM 253 CA GLY A 11 -7.213 3.325 -9.912 1.00 0.68 C ATOM 254 C GLY A 11 -7.674 4.709 -10.324 1.00 0.75 C ATOM 255 O GLY A 11 -7.492 5.678 -9.584 1.00 0.96 O ATOM 0 H GLY A 11 -7.959 2.569 -8.112 1.00 0.59 H new ATOM 0 HA2 GLY A 11 -6.278 3.402 -9.358 1.00 0.68 H new ATOM 0 HA3 GLY A 11 -7.008 2.729 -10.801 1.00 0.68 H new ATOM 259 N ASN A 12 -8.294 4.797 -11.491 1.00 0.75 N ATOM 260 CA ASN A 12 -8.766 6.074 -12.013 1.00 0.90 C ATOM 261 C ASN A 12 -10.285 6.083 -12.167 1.00 0.84 C ATOM 262 O ASN A 12 -10.896 7.146 -12.307 1.00 1.09 O ATOM 263 CB ASN A 12 -8.107 6.382 -13.364 1.00 1.09 C ATOM 264 CG ASN A 12 -8.495 5.394 -14.455 1.00 1.77 C ATOM 265 OD1 ASN A 12 -8.736 4.215 -14.194 1.00 2.62 O ATOM 266 ND2 ASN A 12 -8.562 5.873 -15.686 1.00 2.17 N ATOM 0 H ASN A 12 -8.483 3.999 -12.097 1.00 0.75 H new ATOM 0 HA ASN A 12 -8.488 6.845 -11.295 1.00 0.90 H new ATOM 0 HB2 ASN A 12 -8.386 7.388 -13.677 1.00 1.09 H new ATOM 0 HB3 ASN A 12 -7.024 6.375 -13.244 1.00 1.09 H new ATOM 0 HD21 ASN A 12 -8.821 5.259 -16.459 1.00 2.17 H new ATOM 0 HD22 ASN A 12 -8.355 6.856 -15.863 1.00 2.17 H new ATOM 273 N VAL A 13 -10.893 4.905 -12.145 1.00 0.65 N ATOM 274 CA VAL A 13 -12.335 4.785 -12.331 1.00 0.61 C ATOM 275 C VAL A 13 -13.047 4.822 -10.978 1.00 0.53 C ATOM 276 O VAL A 13 -12.431 4.577 -9.941 1.00 0.50 O ATOM 277 CB VAL A 13 -12.697 3.483 -13.093 1.00 0.61 C ATOM 278 CG1 VAL A 13 -12.379 2.250 -12.264 1.00 0.55 C ATOM 279 CG2 VAL A 13 -14.157 3.479 -13.524 1.00 0.65 C ATOM 0 H VAL A 13 -10.411 4.018 -12.000 1.00 0.65 H new ATOM 0 HA VAL A 13 -12.669 5.631 -12.932 1.00 0.61 H new ATOM 0 HB VAL A 13 -12.081 3.453 -13.992 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -12.644 1.355 -12.827 1.00 0.55 H new ATOM 0 HG12 VAL A 13 -11.314 2.231 -12.034 1.00 0.55 H new ATOM 0 HG13 VAL A 13 -12.950 2.278 -11.336 1.00 0.55 H new ATOM 0 HG21 VAL A 13 -14.377 2.553 -14.055 1.00 0.65 H new ATOM 0 HG22 VAL A 13 -14.796 3.554 -12.644 1.00 0.65 H new ATOM 0 HG23 VAL A 13 -14.345 4.328 -14.182 1.00 0.65 H new ATOM 289 N VAL A 14 -14.339 5.123 -10.986 1.00 0.51 N ATOM 290 CA VAL A 14 -15.101 5.210 -9.753 1.00 0.46 C ATOM 291 C VAL A 14 -16.352 4.340 -9.836 1.00 0.41 C ATOM 292 O VAL A 14 -17.166 4.467 -10.754 1.00 0.45 O ATOM 293 CB VAL A 14 -15.484 6.671 -9.399 1.00 0.53 C ATOM 294 CG1 VAL A 14 -16.403 7.279 -10.447 1.00 0.62 C ATOM 295 CG2 VAL A 14 -16.123 6.740 -8.018 1.00 0.50 C ATOM 0 H VAL A 14 -14.878 5.310 -11.832 1.00 0.51 H new ATOM 0 HA VAL A 14 -14.459 4.841 -8.953 1.00 0.46 H new ATOM 0 HB VAL A 14 -14.566 7.258 -9.386 1.00 0.53 H new ATOM 0 HG11 VAL A 14 -16.650 8.303 -10.165 1.00 0.62 H new ATOM 0 HG12 VAL A 14 -15.901 7.280 -11.414 1.00 0.62 H new ATOM 0 HG13 VAL A 14 -17.318 6.691 -10.514 1.00 0.62 H new ATOM 0 HG21 VAL A 14 -16.384 7.773 -7.789 1.00 0.50 H new ATOM 0 HG22 VAL A 14 -17.024 6.126 -8.003 1.00 0.50 H new ATOM 0 HG23 VAL A 14 -15.419 6.370 -7.273 1.00 0.50 H new ATOM 305 N LYS A 15 -16.469 3.422 -8.899 1.00 0.39 N ATOM 306 CA LYS A 15 -17.629 2.559 -8.803 1.00 0.41 C ATOM 307 C LYS A 15 -18.392 2.898 -7.537 1.00 0.35 C ATOM 308 O LYS A 15 -17.794 3.142 -6.498 1.00 0.31 O ATOM 309 CB LYS A 15 -17.194 1.092 -8.784 1.00 0.50 C ATOM 310 CG LYS A 15 -16.372 0.683 -9.997 1.00 0.67 C ATOM 311 CD LYS A 15 -17.197 0.707 -11.274 1.00 0.80 C ATOM 312 CE LYS A 15 -16.346 0.362 -12.485 1.00 1.02 C ATOM 313 NZ LYS A 15 -17.153 0.258 -13.729 1.00 1.28 N ATOM 0 H LYS A 15 -15.763 3.253 -8.182 1.00 0.39 H new ATOM 0 HA LYS A 15 -18.274 2.714 -9.668 1.00 0.41 H new ATOM 0 HB2 LYS A 15 -16.611 0.907 -7.882 1.00 0.50 H new ATOM 0 HB3 LYS A 15 -18.080 0.460 -8.727 1.00 0.50 H new ATOM 0 HG2 LYS A 15 -15.520 1.355 -10.102 1.00 0.67 H new ATOM 0 HG3 LYS A 15 -15.970 -0.319 -9.843 1.00 0.67 H new ATOM 0 HD2 LYS A 15 -18.021 -0.002 -11.191 1.00 0.80 H new ATOM 0 HD3 LYS A 15 -17.639 1.695 -11.406 1.00 0.80 H new ATOM 0 HE2 LYS A 15 -15.578 1.124 -12.615 1.00 1.02 H new ATOM 0 HE3 LYS A 15 -15.832 -0.583 -12.308 1.00 1.02 H new ATOM 0 HZ1 LYS A 15 -16.720 -0.440 -14.367 1.00 1.28 H new ATOM 0 HZ2 LYS A 15 -18.120 -0.043 -13.492 1.00 1.28 H new ATOM 0 HZ3 LYS A 15 -17.185 1.184 -14.200 1.00 1.28 H new ATOM 327 N THR A 16 -19.701 2.933 -7.617 1.00 0.38 N ATOM 328 CA THR A 16 -20.501 3.318 -6.470 1.00 0.37 C ATOM 329 C THR A 16 -21.151 2.094 -5.836 1.00 0.35 C ATOM 330 O THR A 16 -22.025 1.458 -6.431 1.00 0.39 O ATOM 331 CB THR A 16 -21.574 4.350 -6.867 1.00 0.45 C ATOM 332 OG1 THR A 16 -20.946 5.488 -7.478 1.00 0.50 O ATOM 333 CG2 THR A 16 -22.380 4.802 -5.654 1.00 0.45 C ATOM 0 H THR A 16 -20.235 2.702 -8.455 1.00 0.38 H new ATOM 0 HA THR A 16 -19.839 3.780 -5.737 1.00 0.37 H new ATOM 0 HB THR A 16 -22.256 3.878 -7.574 1.00 0.45 H new ATOM 0 HG1 THR A 16 -21.630 6.142 -7.731 1.00 0.50 H new ATOM 0 HG21 THR A 16 -23.129 5.530 -5.966 1.00 0.45 H new ATOM 0 HG22 THR A 16 -22.875 3.941 -5.205 1.00 0.45 H new ATOM 0 HG23 THR A 16 -21.712 5.259 -4.923 1.00 0.45 H new ATOM 341 N MET A 17 -20.715 1.761 -4.629 1.00 0.31 N ATOM 342 CA MET A 17 -21.226 0.599 -3.922 1.00 0.32 C ATOM 343 C MET A 17 -21.566 0.964 -2.493 1.00 0.32 C ATOM 344 O MET A 17 -20.958 1.859 -1.908 1.00 0.31 O ATOM 345 CB MET A 17 -20.227 -0.561 -3.924 1.00 0.34 C ATOM 346 CG MET A 17 -20.359 -1.493 -5.116 1.00 0.44 C ATOM 347 SD MET A 17 -19.447 -3.035 -4.885 1.00 1.04 S ATOM 348 CE MET A 17 -20.245 -3.684 -3.416 1.00 0.40 C ATOM 0 H MET A 17 -20.004 2.284 -4.118 1.00 0.31 H new ATOM 0 HA MET A 17 -22.124 0.273 -4.447 1.00 0.32 H new ATOM 0 HB2 MET A 17 -19.216 -0.155 -3.904 1.00 0.34 H new ATOM 0 HB3 MET A 17 -20.356 -1.139 -3.009 1.00 0.34 H new ATOM 0 HG2 MET A 17 -21.412 -1.718 -5.283 1.00 0.44 H new ATOM 0 HG3 MET A 17 -19.995 -0.989 -6.011 1.00 0.44 H new ATOM 0 HE1 MET A 17 -19.946 -4.722 -3.268 1.00 0.40 H new ATOM 0 HE2 MET A 17 -19.948 -3.094 -2.549 1.00 0.40 H new ATOM 0 HE3 MET A 17 -21.327 -3.632 -3.537 1.00 0.40 H new ATOM 358 N GLN A 18 -22.543 0.281 -1.942 1.00 0.36 N ATOM 359 CA GLN A 18 -22.889 0.454 -0.551 1.00 0.37 C ATOM 360 C GLN A 18 -22.546 -0.792 0.239 1.00 0.35 C ATOM 361 O GLN A 18 -22.717 -1.916 -0.239 1.00 0.38 O ATOM 362 CB GLN A 18 -24.368 0.795 -0.413 1.00 0.44 C ATOM 363 CG GLN A 18 -24.666 2.224 -0.810 1.00 0.49 C ATOM 364 CD GLN A 18 -26.057 2.401 -1.369 1.00 0.59 C ATOM 365 OE1 GLN A 18 -26.996 1.707 -0.983 1.00 0.92 O ATOM 366 NE2 GLN A 18 -26.189 3.323 -2.304 1.00 0.60 N ATOM 0 H GLN A 18 -23.114 -0.402 -2.439 1.00 0.36 H new ATOM 0 HA GLN A 18 -22.308 1.282 -0.146 1.00 0.37 H new ATOM 0 HB2 GLN A 18 -24.954 0.118 -1.034 1.00 0.44 H new ATOM 0 HB3 GLN A 18 -24.681 0.634 0.618 1.00 0.44 H new ATOM 0 HG2 GLN A 18 -24.544 2.870 0.059 1.00 0.49 H new ATOM 0 HG3 GLN A 18 -23.937 2.549 -1.553 1.00 0.49 H new ATOM 0 HE21 GLN A 18 -25.382 3.875 -2.593 1.00 0.60 H new ATOM 0 HE22 GLN A 18 -27.098 3.483 -2.738 1.00 0.60 H new ATOM 375 N PHE A 19 -22.056 -0.582 1.445 1.00 0.34 N ATOM 376 CA PHE A 19 -21.682 -1.662 2.334 1.00 0.33 C ATOM 377 C PHE A 19 -22.318 -1.381 3.676 1.00 0.37 C ATOM 378 O PHE A 19 -22.677 -0.236 3.961 1.00 0.40 O ATOM 379 CB PHE A 19 -20.161 -1.746 2.510 1.00 0.29 C ATOM 380 CG PHE A 19 -19.388 -1.949 1.237 1.00 0.27 C ATOM 381 CD1 PHE A 19 -19.168 -3.221 0.739 1.00 0.33 C ATOM 382 CD2 PHE A 19 -18.866 -0.866 0.552 1.00 0.30 C ATOM 383 CE1 PHE A 19 -18.444 -3.409 -0.423 1.00 0.36 C ATOM 384 CE2 PHE A 19 -18.140 -1.045 -0.607 1.00 0.31 C ATOM 385 CZ PHE A 19 -17.927 -2.318 -1.096 1.00 0.31 C ATOM 0 H PHE A 19 -21.906 0.348 1.837 1.00 0.34 H new ATOM 0 HA PHE A 19 -22.020 -2.609 1.914 1.00 0.33 H new ATOM 0 HB2 PHE A 19 -19.814 -0.829 2.987 1.00 0.29 H new ATOM 0 HB3 PHE A 19 -19.933 -2.566 3.191 1.00 0.29 H new ATOM 0 HD1 PHE A 19 -19.567 -4.076 1.264 1.00 0.33 H new ATOM 0 HD2 PHE A 19 -19.029 0.133 0.930 1.00 0.30 H new ATOM 0 HE1 PHE A 19 -18.282 -4.406 -0.804 1.00 0.36 H new ATOM 0 HE2 PHE A 19 -17.739 -0.190 -1.131 1.00 0.31 H new ATOM 0 HZ PHE A 19 -17.358 -2.461 -2.002 1.00 0.31 H new ATOM 395 N GLU A 20 -22.470 -2.395 4.492 1.00 0.39 N ATOM 396 CA GLU A 20 -23.015 -2.198 5.819 1.00 0.43 C ATOM 397 C GLU A 20 -21.946 -1.616 6.732 1.00 0.44 C ATOM 398 O GLU A 20 -20.752 -1.863 6.536 1.00 0.47 O ATOM 399 CB GLU A 20 -23.479 -3.516 6.414 1.00 0.50 C ATOM 400 CG GLU A 20 -24.280 -4.385 5.477 1.00 0.61 C ATOM 401 CD GLU A 20 -24.207 -5.828 5.908 1.00 0.90 C ATOM 402 OE1 GLU A 20 -24.577 -6.126 7.064 1.00 1.42 O ATOM 403 OE2 GLU A 20 -23.734 -6.667 5.115 1.00 1.06 O ATOM 0 H GLU A 20 -22.227 -3.360 4.266 1.00 0.39 H new ATOM 0 HA GLU A 20 -23.862 -1.517 5.736 1.00 0.43 H new ATOM 0 HB2 GLU A 20 -22.605 -4.075 6.748 1.00 0.50 H new ATOM 0 HB3 GLU A 20 -24.081 -3.307 7.298 1.00 0.50 H new ATOM 0 HG2 GLU A 20 -25.319 -4.055 5.463 1.00 0.61 H new ATOM 0 HG3 GLU A 20 -23.899 -4.283 4.461 1.00 0.61 H new ATOM 410 N PRO A 21 -22.367 -0.828 7.726 1.00 0.50 N ATOM 411 CA PRO A 21 -21.509 -0.353 8.803 1.00 0.53 C ATOM 412 C PRO A 21 -20.570 -1.456 9.298 1.00 0.53 C ATOM 413 O PRO A 21 -19.343 -1.311 9.267 1.00 0.65 O ATOM 414 CB PRO A 21 -22.519 0.064 9.900 1.00 0.57 C ATOM 415 CG PRO A 21 -23.884 -0.236 9.347 1.00 0.61 C ATOM 416 CD PRO A 21 -23.717 -0.311 7.867 1.00 0.62 C ATOM 0 HA PRO A 21 -20.852 0.461 8.497 1.00 0.53 H new ATOM 0 HB2 PRO A 21 -22.342 -0.489 10.823 1.00 0.57 H new ATOM 0 HB3 PRO A 21 -22.420 1.123 10.139 1.00 0.57 H new ATOM 0 HG2 PRO A 21 -24.269 -1.175 9.745 1.00 0.61 H new ATOM 0 HG3 PRO A 21 -24.596 0.542 9.621 1.00 0.61 H new ATOM 0 HD2 PRO A 21 -24.454 -0.971 7.409 1.00 0.62 H new ATOM 0 HD3 PRO A 21 -23.828 0.666 7.397 1.00 0.62 H new ATOM 424 N SER A 22 -21.149 -2.587 9.692 1.00 0.50 N ATOM 425 CA SER A 22 -20.367 -3.698 10.208 1.00 0.61 C ATOM 426 C SER A 22 -20.224 -4.830 9.183 1.00 0.84 C ATOM 427 O SER A 22 -20.235 -6.007 9.544 1.00 1.64 O ATOM 428 CB SER A 22 -20.985 -4.218 11.511 1.00 0.68 C ATOM 429 OG SER A 22 -22.391 -4.375 11.398 1.00 1.32 O ATOM 0 H SER A 22 -22.155 -2.755 9.663 1.00 0.50 H new ATOM 0 HA SER A 22 -19.363 -3.328 10.413 1.00 0.61 H new ATOM 0 HB2 SER A 22 -20.532 -5.174 11.773 1.00 0.68 H new ATOM 0 HB3 SER A 22 -20.760 -3.526 12.322 1.00 0.68 H new ATOM 0 HG SER A 22 -22.752 -4.709 12.246 1.00 1.32 H new ATOM 435 N THR A 23 -20.084 -4.476 7.905 1.00 0.41 N ATOM 436 CA THR A 23 -19.746 -5.464 6.882 1.00 0.49 C ATOM 437 C THR A 23 -18.374 -6.062 7.168 1.00 0.63 C ATOM 438 O THR A 23 -18.192 -7.279 7.120 1.00 1.47 O ATOM 439 CB THR A 23 -19.750 -4.848 5.463 1.00 0.51 C ATOM 440 OG1 THR A 23 -21.091 -4.663 5.012 1.00 0.68 O ATOM 441 CG2 THR A 23 -19.005 -5.720 4.468 1.00 0.50 C ATOM 0 H THR A 23 -20.198 -3.524 7.557 1.00 0.41 H new ATOM 0 HA THR A 23 -20.508 -6.243 6.916 1.00 0.49 H new ATOM 0 HB THR A 23 -19.240 -3.886 5.525 1.00 0.51 H new ATOM 0 HG1 THR A 23 -21.614 -5.469 5.202 1.00 0.68 H new ATOM 0 HG21 THR A 23 -19.031 -5.252 3.484 1.00 0.50 H new ATOM 0 HG22 THR A 23 -17.969 -5.834 4.788 1.00 0.50 H new ATOM 0 HG23 THR A 23 -19.479 -6.700 4.417 1.00 0.50 H new ATOM 449 N MET A 24 -17.431 -5.176 7.498 1.00 0.54 N ATOM 450 CA MET A 24 -16.045 -5.543 7.780 1.00 0.48 C ATOM 451 C MET A 24 -15.291 -5.815 6.478 1.00 0.43 C ATOM 452 O MET A 24 -15.803 -6.474 5.577 1.00 0.47 O ATOM 453 CB MET A 24 -15.973 -6.740 8.734 1.00 0.60 C ATOM 454 CG MET A 24 -14.843 -6.655 9.739 1.00 0.57 C ATOM 455 SD MET A 24 -15.104 -7.746 11.147 1.00 0.83 S ATOM 456 CE MET A 24 -13.940 -7.055 12.316 1.00 0.71 C ATOM 0 H MET A 24 -17.612 -4.175 7.577 1.00 0.54 H new ATOM 0 HA MET A 24 -15.561 -4.704 8.280 1.00 0.48 H new ATOM 0 HB2 MET A 24 -16.918 -6.822 9.271 1.00 0.60 H new ATOM 0 HB3 MET A 24 -15.858 -7.652 8.149 1.00 0.60 H new ATOM 0 HG2 MET A 24 -13.904 -6.913 9.250 1.00 0.57 H new ATOM 0 HG3 MET A 24 -14.747 -5.628 10.090 1.00 0.57 H new ATOM 0 HE1 MET A 24 -13.992 -7.610 13.252 1.00 0.71 H new ATOM 0 HE2 MET A 24 -12.931 -7.123 11.909 1.00 0.71 H new ATOM 0 HE3 MET A 24 -14.187 -6.009 12.500 1.00 0.71 H new ATOM 466 N VAL A 25 -14.086 -5.261 6.398 1.00 0.40 N ATOM 467 CA VAL A 25 -13.260 -5.293 5.184 1.00 0.38 C ATOM 468 C VAL A 25 -13.289 -6.638 4.451 1.00 0.39 C ATOM 469 O VAL A 25 -13.542 -6.674 3.248 1.00 0.39 O ATOM 470 CB VAL A 25 -11.804 -4.913 5.502 1.00 0.41 C ATOM 471 CG1 VAL A 25 -10.878 -5.210 4.330 1.00 0.42 C ATOM 472 CG2 VAL A 25 -11.735 -3.447 5.871 1.00 0.40 C ATOM 0 H VAL A 25 -13.646 -4.772 7.177 1.00 0.40 H new ATOM 0 HA VAL A 25 -13.702 -4.556 4.513 1.00 0.38 H new ATOM 0 HB VAL A 25 -11.467 -5.518 6.344 1.00 0.41 H new ATOM 0 HG11 VAL A 25 -9.858 -4.928 4.592 1.00 0.42 H new ATOM 0 HG12 VAL A 25 -10.913 -6.275 4.100 1.00 0.42 H new ATOM 0 HG13 VAL A 25 -11.200 -4.640 3.459 1.00 0.42 H new ATOM 0 HG21 VAL A 25 -10.703 -3.177 6.097 1.00 0.40 H new ATOM 0 HG22 VAL A 25 -12.094 -2.844 5.037 1.00 0.40 H new ATOM 0 HG23 VAL A 25 -12.358 -3.262 6.746 1.00 0.40 H new ATOM 482 N TYR A 26 -13.039 -7.730 5.170 1.00 0.42 N ATOM 483 CA TYR A 26 -12.962 -9.044 4.531 1.00 0.45 C ATOM 484 C TYR A 26 -14.261 -9.394 3.800 1.00 0.43 C ATOM 485 O TYR A 26 -14.237 -10.003 2.731 1.00 0.42 O ATOM 486 CB TYR A 26 -12.579 -10.148 5.532 1.00 0.52 C ATOM 487 CG TYR A 26 -13.563 -10.381 6.660 1.00 0.56 C ATOM 488 CD1 TYR A 26 -14.663 -11.213 6.489 1.00 0.70 C ATOM 489 CD2 TYR A 26 -13.381 -9.787 7.900 1.00 0.58 C ATOM 490 CE1 TYR A 26 -15.552 -11.444 7.518 1.00 0.78 C ATOM 491 CE2 TYR A 26 -14.268 -10.012 8.933 1.00 0.65 C ATOM 492 CZ TYR A 26 -15.352 -10.840 8.737 1.00 0.72 C ATOM 493 OH TYR A 26 -16.238 -11.065 9.765 1.00 0.83 O ATOM 0 H TYR A 26 -12.888 -7.734 6.179 1.00 0.42 H new ATOM 0 HA TYR A 26 -12.167 -8.985 3.788 1.00 0.45 H new ATOM 0 HB2 TYR A 26 -12.454 -11.082 4.984 1.00 0.52 H new ATOM 0 HB3 TYR A 26 -11.610 -9.900 5.965 1.00 0.52 H new ATOM 0 HD1 TYR A 26 -14.825 -11.688 5.532 1.00 0.70 H new ATOM 0 HD2 TYR A 26 -12.532 -9.139 8.060 1.00 0.58 H new ATOM 0 HE1 TYR A 26 -16.400 -12.095 7.367 1.00 0.78 H new ATOM 0 HE2 TYR A 26 -14.113 -9.541 9.892 1.00 0.65 H new ATOM 0 HH TYR A 26 -15.952 -10.565 10.558 1.00 0.83 H new ATOM 503 N ASP A 27 -15.388 -8.986 4.358 1.00 0.43 N ATOM 504 CA ASP A 27 -16.673 -9.261 3.733 1.00 0.44 C ATOM 505 C ASP A 27 -16.933 -8.275 2.594 1.00 0.39 C ATOM 506 O ASP A 27 -17.589 -8.597 1.610 1.00 0.40 O ATOM 507 CB ASP A 27 -17.802 -9.213 4.757 1.00 0.50 C ATOM 508 CG ASP A 27 -19.089 -9.813 4.224 1.00 0.91 C ATOM 509 OD1 ASP A 27 -19.281 -11.041 4.371 1.00 1.24 O ATOM 510 OD2 ASP A 27 -19.917 -9.068 3.668 1.00 1.48 O ATOM 0 H ASP A 27 -15.441 -8.468 5.235 1.00 0.43 H new ATOM 0 HA ASP A 27 -16.641 -10.269 3.319 1.00 0.44 H new ATOM 0 HB2 ASP A 27 -17.498 -9.751 5.655 1.00 0.50 H new ATOM 0 HB3 ASP A 27 -17.980 -8.178 5.050 1.00 0.50 H new ATOM 515 N ALA A 28 -16.416 -7.062 2.726 1.00 0.37 N ATOM 516 CA ALA A 28 -16.578 -6.057 1.686 1.00 0.33 C ATOM 517 C ALA A 28 -15.814 -6.453 0.433 1.00 0.32 C ATOM 518 O ALA A 28 -16.361 -6.449 -0.672 1.00 0.31 O ATOM 519 CB ALA A 28 -16.110 -4.697 2.186 1.00 0.33 C ATOM 0 H ALA A 28 -15.884 -6.751 3.539 1.00 0.37 H new ATOM 0 HA ALA A 28 -17.637 -5.990 1.435 1.00 0.33 H new ATOM 0 HB1 ALA A 28 -16.237 -3.956 1.397 1.00 0.33 H new ATOM 0 HB2 ALA A 28 -16.700 -4.406 3.056 1.00 0.33 H new ATOM 0 HB3 ALA A 28 -15.058 -4.754 2.464 1.00 0.33 H new ATOM 525 N CYS A 29 -14.551 -6.804 0.623 1.00 0.35 N ATOM 526 CA CYS A 29 -13.674 -7.165 -0.478 1.00 0.37 C ATOM 527 C CYS A 29 -14.197 -8.369 -1.272 1.00 0.38 C ATOM 528 O CYS A 29 -13.906 -8.504 -2.461 1.00 0.40 O ATOM 529 CB CYS A 29 -12.259 -7.425 0.041 1.00 0.45 C ATOM 530 SG CYS A 29 -12.110 -8.775 1.232 1.00 1.37 S ATOM 0 H CYS A 29 -14.108 -6.846 1.541 1.00 0.35 H new ATOM 0 HA CYS A 29 -13.651 -6.322 -1.169 1.00 0.37 H new ATOM 0 HB2 CYS A 29 -11.611 -7.639 -0.809 1.00 0.45 H new ATOM 0 HB3 CYS A 29 -11.886 -6.511 0.504 1.00 0.45 H new ATOM 0 HG CYS A 29 -13.295 -9.177 1.583 1.00 1.37 H new ATOM 536 N ARG A 30 -14.984 -9.226 -0.629 1.00 0.40 N ATOM 537 CA ARG A 30 -15.521 -10.400 -1.312 1.00 0.44 C ATOM 538 C ARG A 30 -16.691 -10.014 -2.212 1.00 0.42 C ATOM 539 O ARG A 30 -16.800 -10.497 -3.335 1.00 0.45 O ATOM 540 CB ARG A 30 -15.934 -11.494 -0.319 1.00 0.49 C ATOM 541 CG ARG A 30 -17.136 -11.147 0.555 1.00 0.53 C ATOM 542 CD ARG A 30 -17.379 -12.187 1.643 1.00 0.71 C ATOM 543 NE ARG A 30 -16.185 -12.442 2.453 1.00 1.12 N ATOM 544 CZ ARG A 30 -16.191 -13.030 3.644 1.00 1.68 C ATOM 545 NH1 ARG A 30 -17.332 -13.254 4.284 1.00 1.94 N ATOM 546 NH2 ARG A 30 -15.037 -13.350 4.212 1.00 2.41 N ATOM 0 H ARG A 30 -15.261 -9.134 0.348 1.00 0.40 H new ATOM 0 HA ARG A 30 -14.726 -10.809 -1.936 1.00 0.44 H new ATOM 0 HB2 ARG A 30 -16.158 -12.404 -0.876 1.00 0.49 H new ATOM 0 HB3 ARG A 30 -15.085 -11.717 0.327 1.00 0.49 H new ATOM 0 HG2 ARG A 30 -16.978 -10.172 1.016 1.00 0.53 H new ATOM 0 HG3 ARG A 30 -18.025 -11.064 -0.070 1.00 0.53 H new ATOM 0 HD2 ARG A 30 -18.188 -11.848 2.291 1.00 0.71 H new ATOM 0 HD3 ARG A 30 -17.708 -13.119 1.183 1.00 0.71 H new ATOM 0 HE ARG A 30 -15.285 -12.147 2.075 1.00 1.12 H new ATOM 0 HH11 ARG A 30 -18.217 -12.974 3.862 1.00 1.94 H new ATOM 0 HH12 ARG A 30 -17.324 -13.706 5.198 1.00 1.94 H new ATOM 0 HH21 ARG A 30 -14.159 -13.144 3.735 1.00 2.41 H new ATOM 0 HH22 ARG A 30 -15.027 -13.802 5.126 1.00 2.41 H new ATOM 560 N MET A 31 -17.546 -9.120 -1.726 1.00 0.39 N ATOM 561 CA MET A 31 -18.717 -8.692 -2.478 1.00 0.40 C ATOM 562 C MET A 31 -18.331 -7.812 -3.657 1.00 0.38 C ATOM 563 O MET A 31 -18.901 -7.928 -4.739 1.00 0.44 O ATOM 564 CB MET A 31 -19.675 -7.938 -1.569 1.00 0.39 C ATOM 565 CG MET A 31 -20.162 -8.763 -0.395 1.00 0.43 C ATOM 566 SD MET A 31 -21.255 -7.828 0.687 1.00 0.45 S ATOM 567 CE MET A 31 -20.102 -6.585 1.259 1.00 0.39 C ATOM 0 H MET A 31 -17.448 -8.678 -0.812 1.00 0.39 H new ATOM 0 HA MET A 31 -19.207 -9.585 -2.866 1.00 0.40 H new ATOM 0 HB2 MET A 31 -19.180 -7.042 -1.194 1.00 0.39 H new ATOM 0 HB3 MET A 31 -20.534 -7.607 -2.153 1.00 0.39 H new ATOM 0 HG2 MET A 31 -20.687 -9.644 -0.765 1.00 0.43 H new ATOM 0 HG3 MET A 31 -19.305 -9.119 0.177 1.00 0.43 H new ATOM 0 HE1 MET A 31 -20.638 -5.828 1.832 1.00 0.39 H new ATOM 0 HE2 MET A 31 -19.347 -7.052 1.891 1.00 0.39 H new ATOM 0 HE3 MET A 31 -19.618 -6.116 0.402 1.00 0.39 H new ATOM 577 N ILE A 32 -17.370 -6.928 -3.451 1.00 0.34 N ATOM 578 CA ILE A 32 -16.933 -6.038 -4.515 1.00 0.33 C ATOM 579 C ILE A 32 -16.228 -6.822 -5.626 1.00 0.36 C ATOM 580 O ILE A 32 -16.458 -6.577 -6.806 1.00 0.40 O ATOM 581 CB ILE A 32 -16.023 -4.911 -3.979 1.00 0.30 C ATOM 582 CG1 ILE A 32 -15.643 -3.961 -5.113 1.00 0.40 C ATOM 583 CG2 ILE A 32 -14.778 -5.476 -3.311 1.00 0.30 C ATOM 584 CD1 ILE A 32 -14.759 -2.825 -4.671 1.00 0.48 C ATOM 0 H ILE A 32 -16.880 -6.807 -2.565 1.00 0.34 H new ATOM 0 HA ILE A 32 -17.823 -5.570 -4.935 1.00 0.33 H new ATOM 0 HB ILE A 32 -16.578 -4.355 -3.224 1.00 0.30 H new ATOM 0 HG12 ILE A 32 -15.134 -4.525 -5.894 1.00 0.40 H new ATOM 0 HG13 ILE A 32 -16.552 -3.553 -5.555 1.00 0.40 H new ATOM 0 HG21 ILE A 32 -14.158 -4.657 -2.945 1.00 0.30 H new ATOM 0 HG22 ILE A 32 -15.070 -6.112 -2.475 1.00 0.30 H new ATOM 0 HG23 ILE A 32 -14.212 -6.064 -4.034 1.00 0.30 H new ATOM 0 HD11 ILE A 32 -14.528 -2.190 -5.526 1.00 0.48 H new ATOM 0 HD12 ILE A 32 -15.274 -2.237 -3.911 1.00 0.48 H new ATOM 0 HD13 ILE A 32 -13.834 -3.224 -4.255 1.00 0.48 H new ATOM 596 N ARG A 33 -15.394 -7.782 -5.238 1.00 0.36 N ATOM 597 CA ARG A 33 -14.756 -8.692 -6.188 1.00 0.41 C ATOM 598 C ARG A 33 -15.810 -9.534 -6.910 1.00 0.45 C ATOM 599 O ARG A 33 -15.628 -9.941 -8.059 1.00 0.49 O ATOM 600 CB ARG A 33 -13.737 -9.574 -5.452 1.00 0.45 C ATOM 601 CG ARG A 33 -13.443 -10.905 -6.126 1.00 1.01 C ATOM 602 CD ARG A 33 -12.270 -11.618 -5.467 1.00 0.94 C ATOM 603 NE ARG A 33 -12.335 -11.564 -4.004 1.00 0.64 N ATOM 604 CZ ARG A 33 -12.837 -12.529 -3.234 1.00 0.84 C ATOM 605 NH1 ARG A 33 -13.390 -13.605 -3.774 1.00 1.32 N ATOM 606 NH2 ARG A 33 -12.787 -12.406 -1.917 1.00 1.22 N ATOM 0 H ARG A 33 -15.142 -7.952 -4.264 1.00 0.36 H new ATOM 0 HA ARG A 33 -14.225 -8.114 -6.944 1.00 0.41 H new ATOM 0 HB2 ARG A 33 -12.804 -9.020 -5.351 1.00 0.45 H new ATOM 0 HB3 ARG A 33 -14.105 -9.766 -4.444 1.00 0.45 H new ATOM 0 HG2 ARG A 33 -14.328 -11.540 -6.081 1.00 1.01 H new ATOM 0 HG3 ARG A 33 -13.223 -10.739 -7.181 1.00 1.01 H new ATOM 0 HD2 ARG A 33 -12.254 -12.659 -5.789 1.00 0.94 H new ATOM 0 HD3 ARG A 33 -11.337 -11.165 -5.804 1.00 0.94 H new ATOM 0 HE ARG A 33 -11.971 -10.730 -3.543 1.00 0.64 H new ATOM 0 HH11 ARG A 33 -13.435 -13.701 -4.789 1.00 1.32 H new ATOM 0 HH12 ARG A 33 -13.771 -14.338 -3.175 1.00 1.32 H new ATOM 0 HH21 ARG A 33 -12.366 -11.577 -1.498 1.00 1.22 H new ATOM 0 HH22 ARG A 33 -13.169 -13.140 -1.321 1.00 1.22 H new ATOM 620 N GLU A 34 -16.915 -9.760 -6.220 1.00 0.46 N ATOM 621 CA GLU A 34 -18.025 -10.535 -6.755 1.00 0.51 C ATOM 622 C GLU A 34 -18.722 -9.757 -7.868 1.00 0.50 C ATOM 623 O GLU A 34 -18.852 -10.227 -8.998 1.00 0.54 O ATOM 624 CB GLU A 34 -19.026 -10.844 -5.634 1.00 0.55 C ATOM 625 CG GLU A 34 -20.181 -11.733 -6.060 1.00 0.90 C ATOM 626 CD GLU A 34 -19.732 -13.123 -6.462 1.00 1.51 C ATOM 627 OE1 GLU A 34 -19.668 -14.010 -5.584 1.00 1.50 O ATOM 628 OE2 GLU A 34 -19.447 -13.336 -7.658 1.00 2.40 O ATOM 0 H GLU A 34 -17.069 -9.412 -5.274 1.00 0.46 H new ATOM 0 HA GLU A 34 -17.640 -11.469 -7.165 1.00 0.51 H new ATOM 0 HB2 GLU A 34 -18.496 -11.324 -4.811 1.00 0.55 H new ATOM 0 HB3 GLU A 34 -19.426 -9.906 -5.251 1.00 0.55 H new ATOM 0 HG2 GLU A 34 -20.896 -11.809 -5.241 1.00 0.90 H new ATOM 0 HG3 GLU A 34 -20.703 -11.268 -6.897 1.00 0.90 H new ATOM 635 N ARG A 35 -19.134 -8.549 -7.531 1.00 0.51 N ATOM 636 CA ARG A 35 -19.952 -7.725 -8.411 1.00 0.55 C ATOM 637 C ARG A 35 -19.119 -7.000 -9.466 1.00 0.49 C ATOM 638 O ARG A 35 -19.462 -7.006 -10.648 1.00 0.54 O ATOM 639 CB ARG A 35 -20.720 -6.719 -7.564 1.00 0.72 C ATOM 640 CG ARG A 35 -21.550 -7.383 -6.482 1.00 0.77 C ATOM 641 CD ARG A 35 -21.711 -6.482 -5.274 1.00 0.79 C ATOM 642 NE ARG A 35 -22.445 -5.256 -5.586 1.00 1.02 N ATOM 643 CZ ARG A 35 -23.351 -4.705 -4.779 1.00 1.46 C ATOM 644 NH1 ARG A 35 -23.639 -5.267 -3.611 1.00 1.79 N ATOM 645 NH2 ARG A 35 -23.972 -3.590 -5.140 1.00 1.90 N ATOM 0 H ARG A 35 -18.912 -8.108 -6.638 1.00 0.51 H new ATOM 0 HA ARG A 35 -20.641 -8.377 -8.948 1.00 0.55 H new ATOM 0 HB2 ARG A 35 -20.017 -6.025 -7.103 1.00 0.72 H new ATOM 0 HB3 ARG A 35 -21.373 -6.130 -8.208 1.00 0.72 H new ATOM 0 HG2 ARG A 35 -22.532 -7.638 -6.880 1.00 0.77 H new ATOM 0 HG3 ARG A 35 -21.076 -8.317 -6.180 1.00 0.77 H new ATOM 0 HD2 ARG A 35 -22.234 -7.025 -4.487 1.00 0.79 H new ATOM 0 HD3 ARG A 35 -20.727 -6.223 -4.883 1.00 0.79 H new ATOM 0 HE ARG A 35 -22.252 -4.795 -6.475 1.00 1.02 H new ATOM 0 HH11 ARG A 35 -23.166 -6.125 -3.327 1.00 1.79 H new ATOM 0 HH12 ARG A 35 -24.333 -4.841 -2.997 1.00 1.79 H new ATOM 0 HH21 ARG A 35 -23.756 -3.153 -6.036 1.00 1.90 H new ATOM 0 HH22 ARG A 35 -24.665 -3.169 -4.521 1.00 1.90 H new ATOM 659 N ILE A 36 -18.025 -6.391 -9.038 1.00 0.45 N ATOM 660 CA ILE A 36 -17.219 -5.548 -9.913 1.00 0.43 C ATOM 661 C ILE A 36 -16.005 -6.319 -10.442 1.00 0.45 C ATOM 662 O ILE A 36 -15.084 -6.641 -9.691 1.00 0.44 O ATOM 663 CB ILE A 36 -16.759 -4.276 -9.165 1.00 0.43 C ATOM 664 CG1 ILE A 36 -17.968 -3.538 -8.581 1.00 0.43 C ATOM 665 CG2 ILE A 36 -15.977 -3.352 -10.090 1.00 0.44 C ATOM 666 CD1 ILE A 36 -17.603 -2.303 -7.782 1.00 0.44 C ATOM 0 H ILE A 36 -17.671 -6.464 -8.084 1.00 0.45 H new ATOM 0 HA ILE A 36 -17.836 -5.251 -10.761 1.00 0.43 H new ATOM 0 HB ILE A 36 -16.101 -4.580 -8.351 1.00 0.43 H new ATOM 0 HG12 ILE A 36 -18.634 -3.249 -9.395 1.00 0.43 H new ATOM 0 HG13 ILE A 36 -18.525 -4.222 -7.941 1.00 0.43 H new ATOM 0 HG21 ILE A 36 -15.665 -2.465 -9.539 1.00 0.44 H new ATOM 0 HG22 ILE A 36 -15.097 -3.874 -10.466 1.00 0.44 H new ATOM 0 HG23 ILE A 36 -16.609 -3.056 -10.927 1.00 0.44 H new ATOM 0 HD11 ILE A 36 -18.511 -1.835 -7.401 1.00 0.44 H new ATOM 0 HD12 ILE A 36 -16.963 -2.586 -6.947 1.00 0.44 H new ATOM 0 HD13 ILE A 36 -17.073 -1.599 -8.423 1.00 0.44 H new ATOM 678 N PRO A 37 -15.998 -6.635 -11.746 1.00 0.53 N ATOM 679 CA PRO A 37 -14.947 -7.447 -12.371 1.00 0.60 C ATOM 680 C PRO A 37 -13.595 -6.736 -12.475 1.00 0.61 C ATOM 681 O PRO A 37 -12.550 -7.384 -12.442 1.00 0.71 O ATOM 682 CB PRO A 37 -15.491 -7.747 -13.775 1.00 0.73 C ATOM 683 CG PRO A 37 -16.926 -7.337 -13.747 1.00 0.76 C ATOM 684 CD PRO A 37 -17.028 -6.250 -12.718 1.00 0.60 C ATOM 0 HA PRO A 37 -14.745 -8.334 -11.771 1.00 0.60 H new ATOM 0 HB2 PRO A 37 -14.940 -7.193 -14.535 1.00 0.73 H new ATOM 0 HB3 PRO A 37 -15.391 -8.805 -14.016 1.00 0.73 H new ATOM 0 HG2 PRO A 37 -17.248 -6.979 -14.725 1.00 0.76 H new ATOM 0 HG3 PRO A 37 -17.567 -8.180 -13.489 1.00 0.76 H new ATOM 0 HD2 PRO A 37 -16.834 -5.266 -13.146 1.00 0.60 H new ATOM 0 HD3 PRO A 37 -18.019 -6.211 -12.265 1.00 0.60 H new ATOM 692 N GLU A 38 -13.598 -5.411 -12.602 1.00 0.57 N ATOM 693 CA GLU A 38 -12.338 -4.676 -12.712 1.00 0.61 C ATOM 694 C GLU A 38 -11.700 -4.465 -11.342 1.00 0.54 C ATOM 695 O GLU A 38 -10.674 -3.799 -11.224 1.00 0.62 O ATOM 696 CB GLU A 38 -12.512 -3.329 -13.430 1.00 0.75 C ATOM 697 CG GLU A 38 -13.630 -2.457 -12.885 1.00 0.99 C ATOM 698 CD GLU A 38 -14.910 -2.607 -13.673 1.00 1.67 C ATOM 699 OE1 GLU A 38 -15.667 -3.560 -13.411 1.00 2.46 O ATOM 700 OE2 GLU A 38 -15.167 -1.768 -14.561 1.00 2.04 O ATOM 0 H GLU A 38 -14.438 -4.834 -12.631 1.00 0.57 H new ATOM 0 HA GLU A 38 -11.671 -5.290 -13.318 1.00 0.61 H new ATOM 0 HB2 GLU A 38 -11.575 -2.776 -13.367 1.00 0.75 H new ATOM 0 HB3 GLU A 38 -12.700 -3.518 -14.487 1.00 0.75 H new ATOM 0 HG2 GLU A 38 -13.815 -2.717 -11.843 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -13.315 -1.414 -12.902 1.00 0.99 H new ATOM 707 N ALA A 39 -12.305 -5.043 -10.311 1.00 0.47 N ATOM 708 CA ALA A 39 -11.748 -4.976 -8.970 1.00 0.47 C ATOM 709 C ALA A 39 -10.491 -5.835 -8.869 1.00 0.49 C ATOM 710 O ALA A 39 -9.470 -5.405 -8.336 1.00 0.55 O ATOM 711 CB ALA A 39 -12.776 -5.420 -7.939 1.00 0.47 C ATOM 0 H ALA A 39 -13.180 -5.562 -10.380 1.00 0.47 H new ATOM 0 HA ALA A 39 -11.478 -3.940 -8.764 1.00 0.47 H new ATOM 0 HB1 ALA A 39 -12.339 -5.363 -6.942 1.00 0.47 H new ATOM 0 HB2 ALA A 39 -13.648 -4.769 -7.991 1.00 0.47 H new ATOM 0 HB3 ALA A 39 -13.077 -6.447 -8.145 1.00 0.47 H new ATOM 717 N LEU A 40 -10.562 -7.046 -9.404 1.00 0.50 N ATOM 718 CA LEU A 40 -9.441 -7.969 -9.324 1.00 0.59 C ATOM 719 C LEU A 40 -8.569 -7.897 -10.580 1.00 0.67 C ATOM 720 O LEU A 40 -8.549 -8.805 -11.410 1.00 0.99 O ATOM 721 CB LEU A 40 -9.887 -9.424 -9.003 1.00 0.65 C ATOM 722 CG LEU A 40 -11.201 -9.952 -9.624 1.00 0.62 C ATOM 723 CD1 LEU A 40 -12.415 -9.279 -9.012 1.00 1.29 C ATOM 724 CD2 LEU A 40 -11.209 -9.793 -11.129 1.00 1.19 C ATOM 0 H LEU A 40 -11.379 -7.410 -9.895 1.00 0.50 H new ATOM 0 HA LEU A 40 -8.827 -7.650 -8.482 1.00 0.59 H new ATOM 0 HB2 LEU A 40 -9.083 -10.092 -9.313 1.00 0.65 H new ATOM 0 HB3 LEU A 40 -9.975 -9.512 -7.920 1.00 0.65 H new ATOM 0 HG LEU A 40 -11.254 -11.017 -9.397 1.00 0.62 H new ATOM 0 HD11 LEU A 40 -13.321 -9.674 -9.472 1.00 1.29 H new ATOM 0 HD12 LEU A 40 -12.438 -9.474 -7.940 1.00 1.29 H new ATOM 0 HD13 LEU A 40 -12.360 -8.204 -9.184 1.00 1.29 H new ATOM 0 HD21 LEU A 40 -12.148 -10.175 -11.530 1.00 1.19 H new ATOM 0 HD22 LEU A 40 -11.108 -8.738 -11.384 1.00 1.19 H new ATOM 0 HD23 LEU A 40 -10.377 -10.351 -11.558 1.00 1.19 H new ATOM 736 N ALA A 41 -7.843 -6.795 -10.715 1.00 0.65 N ATOM 737 CA ALA A 41 -6.947 -6.595 -11.850 1.00 0.74 C ATOM 738 C ALA A 41 -5.675 -7.431 -11.699 1.00 0.81 C ATOM 739 O ALA A 41 -4.764 -7.366 -12.526 1.00 1.15 O ATOM 740 CB ALA A 41 -6.601 -5.120 -11.996 1.00 0.92 C ATOM 0 H ALA A 41 -7.856 -6.022 -10.050 1.00 0.65 H new ATOM 0 HA ALA A 41 -7.462 -6.925 -12.752 1.00 0.74 H new ATOM 0 HB1 ALA A 41 -5.932 -4.986 -12.846 1.00 0.92 H new ATOM 0 HB2 ALA A 41 -7.514 -4.546 -12.158 1.00 0.92 H new ATOM 0 HB3 ALA A 41 -6.109 -4.770 -11.088 1.00 0.92 H new ATOM 746 N GLY A 42 -5.629 -8.209 -10.632 1.00 0.75 N ATOM 747 CA GLY A 42 -4.509 -9.082 -10.370 1.00 0.86 C ATOM 748 C GLY A 42 -4.877 -10.130 -9.345 1.00 0.80 C ATOM 749 O GLY A 42 -6.046 -10.507 -9.252 1.00 0.82 O ATOM 0 H GLY A 42 -6.366 -8.250 -9.928 1.00 0.75 H new ATOM 0 HA2 GLY A 42 -4.194 -9.565 -11.295 1.00 0.86 H new ATOM 0 HA3 GLY A 42 -3.662 -8.497 -10.012 1.00 0.86 H new ATOM 753 N PRO A 43 -3.913 -10.615 -8.554 1.00 0.83 N ATOM 754 CA PRO A 43 -4.179 -11.583 -7.489 1.00 0.82 C ATOM 755 C PRO A 43 -5.041 -10.976 -6.384 1.00 0.72 C ATOM 756 O PRO A 43 -4.631 -10.021 -5.726 1.00 0.66 O ATOM 757 CB PRO A 43 -2.785 -11.936 -6.953 1.00 0.94 C ATOM 758 CG PRO A 43 -1.826 -11.442 -7.983 1.00 1.09 C ATOM 759 CD PRO A 43 -2.490 -10.263 -8.628 1.00 0.98 C ATOM 0 HA PRO A 43 -4.730 -12.451 -7.851 1.00 0.82 H new ATOM 0 HB2 PRO A 43 -2.604 -11.462 -5.988 1.00 0.94 H new ATOM 0 HB3 PRO A 43 -2.682 -13.011 -6.804 1.00 0.94 H new ATOM 0 HG2 PRO A 43 -0.877 -11.156 -7.529 1.00 1.09 H new ATOM 0 HG3 PRO A 43 -1.607 -12.217 -8.717 1.00 1.09 H new ATOM 0 HD2 PRO A 43 -2.274 -9.336 -8.097 1.00 0.98 H new ATOM 0 HD3 PRO A 43 -2.160 -10.125 -9.658 1.00 0.98 H new ATOM 767 N PRO A 44 -6.249 -11.528 -6.168 1.00 0.76 N ATOM 768 CA PRO A 44 -7.230 -10.981 -5.213 1.00 0.73 C ATOM 769 C PRO A 44 -6.723 -10.943 -3.771 1.00 0.69 C ATOM 770 O PRO A 44 -7.290 -10.250 -2.928 1.00 0.74 O ATOM 771 CB PRO A 44 -8.424 -11.937 -5.332 1.00 0.93 C ATOM 772 CG PRO A 44 -7.865 -13.180 -5.931 1.00 0.99 C ATOM 773 CD PRO A 44 -6.766 -12.729 -6.846 1.00 0.89 C ATOM 0 HA PRO A 44 -7.464 -9.942 -5.446 1.00 0.73 H new ATOM 0 HB2 PRO A 44 -8.870 -12.135 -4.357 1.00 0.93 H new ATOM 0 HB3 PRO A 44 -9.207 -11.514 -5.961 1.00 0.93 H new ATOM 0 HG2 PRO A 44 -7.483 -13.849 -5.160 1.00 0.99 H new ATOM 0 HG3 PRO A 44 -8.630 -13.729 -6.479 1.00 0.99 H new ATOM 0 HD2 PRO A 44 -5.996 -13.492 -6.960 1.00 0.89 H new ATOM 0 HD3 PRO A 44 -7.139 -12.501 -7.844 1.00 0.89 H new ATOM 781 N ASN A 45 -5.656 -11.682 -3.492 1.00 0.72 N ATOM 782 CA ASN A 45 -5.086 -11.715 -2.147 1.00 0.77 C ATOM 783 C ASN A 45 -4.278 -10.453 -1.893 1.00 0.71 C ATOM 784 O ASN A 45 -4.002 -10.091 -0.750 1.00 0.85 O ATOM 785 CB ASN A 45 -4.178 -12.936 -1.957 1.00 0.87 C ATOM 786 CG ASN A 45 -4.748 -14.202 -2.562 1.00 1.41 C ATOM 787 OD1 ASN A 45 -5.580 -14.877 -1.958 1.00 2.21 O ATOM 788 ND2 ASN A 45 -4.266 -14.554 -3.742 1.00 1.37 N ATOM 0 H ASN A 45 -5.169 -12.264 -4.173 1.00 0.72 H new ATOM 0 HA ASN A 45 -5.912 -11.779 -1.438 1.00 0.77 H new ATOM 0 HB2 ASN A 45 -3.206 -12.732 -2.406 1.00 0.87 H new ATOM 0 HB3 ASN A 45 -4.010 -13.094 -0.892 1.00 0.87 H new ATOM 0 HD21 ASN A 45 -4.584 -15.416 -4.186 1.00 1.37 H new ATOM 0 HD22 ASN A 45 -3.577 -13.964 -4.208 1.00 1.37 H new ATOM 795 N ASP A 46 -3.914 -9.781 -2.975 1.00 0.61 N ATOM 796 CA ASP A 46 -3.052 -8.612 -2.906 1.00 0.68 C ATOM 797 C ASP A 46 -3.853 -7.329 -3.073 1.00 0.57 C ATOM 798 O ASP A 46 -3.293 -6.279 -3.367 1.00 0.61 O ATOM 799 CB ASP A 46 -1.974 -8.690 -3.991 1.00 0.83 C ATOM 800 CG ASP A 46 -1.004 -9.836 -3.772 1.00 1.22 C ATOM 801 OD1 ASP A 46 -1.352 -10.990 -4.099 1.00 1.38 O ATOM 802 OD2 ASP A 46 0.116 -9.587 -3.284 1.00 1.90 O ATOM 0 H ASP A 46 -4.206 -10.029 -3.920 1.00 0.61 H new ATOM 0 HA ASP A 46 -2.581 -8.599 -1.923 1.00 0.68 H new ATOM 0 HB2 ASP A 46 -2.452 -8.805 -4.964 1.00 0.83 H new ATOM 0 HB3 ASP A 46 -1.421 -7.751 -4.016 1.00 0.83 H new ATOM 807 N PHE A 47 -5.159 -7.409 -2.882 1.00 0.53 N ATOM 808 CA PHE A 47 -6.016 -6.234 -2.989 1.00 0.47 C ATOM 809 C PHE A 47 -6.655 -5.905 -1.648 1.00 0.44 C ATOM 810 O PHE A 47 -7.249 -6.771 -1.003 1.00 0.48 O ATOM 811 CB PHE A 47 -7.098 -6.441 -4.051 1.00 0.49 C ATOM 812 CG PHE A 47 -6.592 -6.299 -5.458 1.00 0.51 C ATOM 813 CD1 PHE A 47 -6.534 -5.052 -6.058 1.00 0.78 C ATOM 814 CD2 PHE A 47 -6.173 -7.403 -6.179 1.00 0.79 C ATOM 815 CE1 PHE A 47 -6.069 -4.909 -7.348 1.00 0.80 C ATOM 816 CE2 PHE A 47 -5.706 -7.265 -7.470 1.00 0.85 C ATOM 817 CZ PHE A 47 -5.654 -6.017 -8.055 1.00 0.63 C ATOM 0 H PHE A 47 -5.651 -8.272 -2.652 1.00 0.53 H new ATOM 0 HA PHE A 47 -5.391 -5.394 -3.291 1.00 0.47 H new ATOM 0 HB2 PHE A 47 -7.532 -7.433 -3.928 1.00 0.49 H new ATOM 0 HB3 PHE A 47 -7.899 -5.720 -3.887 1.00 0.49 H new ATOM 0 HD1 PHE A 47 -6.857 -4.180 -5.508 1.00 0.78 H new ATOM 0 HD2 PHE A 47 -6.212 -8.383 -5.727 1.00 0.79 H new ATOM 0 HE1 PHE A 47 -6.030 -3.931 -7.804 1.00 0.80 H new ATOM 0 HE2 PHE A 47 -5.381 -8.134 -8.022 1.00 0.85 H new ATOM 0 HZ PHE A 47 -5.289 -5.908 -9.065 1.00 0.63 H new ATOM 827 N GLY A 48 -6.520 -4.655 -1.229 1.00 0.42 N ATOM 828 CA GLY A 48 -7.084 -4.231 0.036 1.00 0.41 C ATOM 829 C GLY A 48 -7.890 -2.956 -0.093 1.00 0.35 C ATOM 830 O GLY A 48 -7.985 -2.382 -1.180 1.00 0.34 O ATOM 0 H GLY A 48 -6.028 -3.925 -1.744 1.00 0.42 H new ATOM 0 HA2 GLY A 48 -7.721 -5.023 0.431 1.00 0.41 H new ATOM 0 HA3 GLY A 48 -6.281 -4.079 0.757 1.00 0.41 H new ATOM 834 N LEU A 49 -8.457 -2.506 1.016 1.00 0.31 N ATOM 835 CA LEU A 49 -9.317 -1.332 1.007 1.00 0.28 C ATOM 836 C LEU A 49 -8.568 -0.103 1.508 1.00 0.29 C ATOM 837 O LEU A 49 -8.193 -0.021 2.672 1.00 0.31 O ATOM 838 CB LEU A 49 -10.559 -1.577 1.870 1.00 0.26 C ATOM 839 CG LEU A 49 -11.385 -2.814 1.502 1.00 0.26 C ATOM 840 CD1 LEU A 49 -12.660 -2.865 2.327 1.00 0.27 C ATOM 841 CD2 LEU A 49 -11.715 -2.822 0.018 1.00 0.25 C ATOM 0 H LEU A 49 -8.337 -2.936 1.933 1.00 0.31 H new ATOM 0 HA LEU A 49 -9.628 -1.149 -0.021 1.00 0.28 H new ATOM 0 HB2 LEU A 49 -10.245 -1.668 2.910 1.00 0.26 H new ATOM 0 HB3 LEU A 49 -11.203 -0.700 1.807 1.00 0.26 H new ATOM 0 HG LEU A 49 -10.789 -3.699 1.724 1.00 0.26 H new ATOM 0 HD11 LEU A 49 -13.235 -3.749 2.053 1.00 0.27 H new ATOM 0 HD12 LEU A 49 -12.406 -2.910 3.386 1.00 0.27 H new ATOM 0 HD13 LEU A 49 -13.254 -1.972 2.134 1.00 0.27 H new ATOM 0 HD21 LEU A 49 -12.302 -3.709 -0.219 1.00 0.25 H new ATOM 0 HD22 LEU A 49 -12.289 -1.930 -0.232 1.00 0.25 H new ATOM 0 HD23 LEU A 49 -10.791 -2.833 -0.560 1.00 0.25 H new ATOM 853 N PHE A 50 -8.322 0.831 0.612 1.00 0.29 N ATOM 854 CA PHE A 50 -7.690 2.089 0.975 1.00 0.30 C ATOM 855 C PHE A 50 -8.742 3.178 1.122 1.00 0.30 C ATOM 856 O PHE A 50 -9.605 3.335 0.272 1.00 0.31 O ATOM 857 CB PHE A 50 -6.646 2.493 -0.071 1.00 0.34 C ATOM 858 CG PHE A 50 -5.897 3.752 0.276 1.00 0.34 C ATOM 859 CD1 PHE A 50 -4.892 3.736 1.230 1.00 0.37 C ATOM 860 CD2 PHE A 50 -6.198 4.950 -0.354 1.00 0.36 C ATOM 861 CE1 PHE A 50 -4.202 4.889 1.551 1.00 0.38 C ATOM 862 CE2 PHE A 50 -5.512 6.107 -0.036 1.00 0.38 C ATOM 863 CZ PHE A 50 -4.513 6.077 0.918 1.00 0.37 C ATOM 0 H PHE A 50 -8.550 0.744 -0.378 1.00 0.29 H new ATOM 0 HA PHE A 50 -7.182 1.958 1.930 1.00 0.30 H new ATOM 0 HB2 PHE A 50 -5.932 1.678 -0.193 1.00 0.34 H new ATOM 0 HB3 PHE A 50 -7.142 2.629 -1.032 1.00 0.34 H new ATOM 0 HD1 PHE A 50 -4.645 2.810 1.729 1.00 0.37 H new ATOM 0 HD2 PHE A 50 -6.977 4.979 -1.101 1.00 0.36 H new ATOM 0 HE1 PHE A 50 -3.420 4.862 2.296 1.00 0.38 H new ATOM 0 HE2 PHE A 50 -5.757 7.034 -0.533 1.00 0.38 H new ATOM 0 HZ PHE A 50 -3.976 6.980 1.168 1.00 0.37 H new ATOM 873 N LEU A 51 -8.672 3.933 2.199 1.00 0.30 N ATOM 874 CA LEU A 51 -9.625 5.001 2.420 1.00 0.32 C ATOM 875 C LEU A 51 -9.063 6.293 1.854 1.00 0.36 C ATOM 876 O LEU A 51 -7.986 6.742 2.250 1.00 0.38 O ATOM 877 CB LEU A 51 -9.945 5.136 3.914 1.00 0.33 C ATOM 878 CG LEU A 51 -11.158 6.010 4.270 1.00 0.35 C ATOM 879 CD1 LEU A 51 -10.807 7.490 4.240 1.00 0.46 C ATOM 880 CD2 LEU A 51 -12.316 5.729 3.320 1.00 0.41 C ATOM 0 H LEU A 51 -7.970 3.828 2.931 1.00 0.30 H new ATOM 0 HA LEU A 51 -10.560 4.771 1.908 1.00 0.32 H new ATOM 0 HB2 LEU A 51 -10.110 4.138 4.321 1.00 0.33 H new ATOM 0 HB3 LEU A 51 -9.068 5.545 4.417 1.00 0.33 H new ATOM 0 HG LEU A 51 -11.460 5.755 5.286 1.00 0.35 H new ATOM 0 HD11 LEU A 51 -11.688 8.078 4.497 1.00 0.46 H new ATOM 0 HD12 LEU A 51 -10.014 7.691 4.961 1.00 0.46 H new ATOM 0 HD13 LEU A 51 -10.467 7.763 3.241 1.00 0.46 H new ATOM 0 HD21 LEU A 51 -13.166 6.357 3.587 1.00 0.41 H new ATOM 0 HD22 LEU A 51 -12.009 5.949 2.297 1.00 0.41 H new ATOM 0 HD23 LEU A 51 -12.602 4.680 3.395 1.00 0.41 H new ATOM 892 N SER A 52 -9.795 6.881 0.925 1.00 0.42 N ATOM 893 CA SER A 52 -9.320 8.048 0.211 1.00 0.53 C ATOM 894 C SER A 52 -9.919 9.319 0.793 1.00 0.61 C ATOM 895 O SER A 52 -11.103 9.609 0.612 1.00 0.93 O ATOM 896 CB SER A 52 -9.672 7.943 -1.269 1.00 0.67 C ATOM 897 OG SER A 52 -9.075 8.986 -2.021 1.00 1.28 O ATOM 0 H SER A 52 -10.725 6.566 0.648 1.00 0.42 H new ATOM 0 HA SER A 52 -8.236 8.092 0.319 1.00 0.53 H new ATOM 0 HB2 SER A 52 -9.341 6.979 -1.655 1.00 0.67 H new ATOM 0 HB3 SER A 52 -10.755 7.980 -1.390 1.00 0.67 H new ATOM 0 HG SER A 52 -9.319 8.889 -2.965 1.00 1.28 H new ATOM 903 N ASP A 53 -9.098 10.059 1.506 1.00 0.74 N ATOM 904 CA ASP A 53 -9.489 11.366 2.011 1.00 0.90 C ATOM 905 C ASP A 53 -9.242 12.409 0.932 1.00 1.04 C ATOM 906 O ASP A 53 -10.178 13.004 0.398 1.00 1.28 O ATOM 907 CB ASP A 53 -8.699 11.713 3.277 1.00 0.89 C ATOM 908 CG ASP A 53 -9.060 13.076 3.836 1.00 1.18 C ATOM 909 OD1 ASP A 53 -10.065 13.173 4.571 1.00 1.42 O ATOM 910 OD2 ASP A 53 -8.348 14.056 3.529 1.00 1.24 O ATOM 0 H ASP A 53 -8.149 9.779 1.753 1.00 0.74 H new ATOM 0 HA ASP A 53 -10.548 11.351 2.269 1.00 0.90 H new ATOM 0 HB2 ASP A 53 -8.884 10.953 4.036 1.00 0.89 H new ATOM 0 HB3 ASP A 53 -7.632 11.687 3.054 1.00 0.89 H new ATOM 915 N ASP A 54 -7.972 12.574 0.588 1.00 0.93 N ATOM 916 CA ASP A 54 -7.539 13.510 -0.447 1.00 1.10 C ATOM 917 C ASP A 54 -6.031 13.416 -0.581 1.00 1.02 C ATOM 918 O ASP A 54 -5.483 13.316 -1.680 1.00 1.22 O ATOM 919 CB ASP A 54 -7.941 14.948 -0.104 1.00 1.26 C ATOM 920 CG ASP A 54 -7.455 15.946 -1.140 1.00 1.47 C ATOM 921 OD1 ASP A 54 -7.962 15.921 -2.281 1.00 1.73 O ATOM 922 OD2 ASP A 54 -6.574 16.768 -0.815 1.00 1.45 O ATOM 0 H ASP A 54 -7.205 12.059 1.021 1.00 0.93 H new ATOM 0 HA ASP A 54 -8.024 13.247 -1.387 1.00 1.10 H new ATOM 0 HB2 ASP A 54 -9.026 15.010 -0.024 1.00 1.26 H new ATOM 0 HB3 ASP A 54 -7.534 15.214 0.872 1.00 1.26 H new ATOM 927 N ASP A 55 -5.373 13.438 0.564 1.00 0.87 N ATOM 928 CA ASP A 55 -3.938 13.233 0.639 1.00 0.94 C ATOM 929 C ASP A 55 -3.649 11.786 1.017 1.00 0.87 C ATOM 930 O ASP A 55 -4.340 11.218 1.867 1.00 0.71 O ATOM 931 CB ASP A 55 -3.329 14.184 1.672 1.00 0.99 C ATOM 932 CG ASP A 55 -1.860 13.931 1.910 1.00 1.39 C ATOM 933 OD1 ASP A 55 -1.035 14.481 1.159 1.00 1.58 O ATOM 934 OD2 ASP A 55 -1.526 13.173 2.842 1.00 1.79 O ATOM 0 H ASP A 55 -5.818 13.598 1.468 1.00 0.87 H new ATOM 0 HA ASP A 55 -3.491 13.442 -0.333 1.00 0.94 H new ATOM 0 HB2 ASP A 55 -3.466 15.212 1.337 1.00 0.99 H new ATOM 0 HB3 ASP A 55 -3.867 14.082 2.614 1.00 0.99 H new ATOM 939 N PRO A 56 -2.642 11.167 0.377 1.00 1.06 N ATOM 940 CA PRO A 56 -2.261 9.773 0.638 1.00 1.08 C ATOM 941 C PRO A 56 -1.968 9.492 2.110 1.00 0.98 C ATOM 942 O PRO A 56 -2.343 8.442 2.625 1.00 0.97 O ATOM 943 CB PRO A 56 -0.994 9.571 -0.206 1.00 1.35 C ATOM 944 CG PRO A 56 -0.556 10.939 -0.600 1.00 1.48 C ATOM 945 CD PRO A 56 -1.803 11.765 -0.669 1.00 1.33 C ATOM 0 HA PRO A 56 -3.074 9.093 0.384 1.00 1.08 H new ATOM 0 HB2 PRO A 56 -0.219 9.060 0.366 1.00 1.35 H new ATOM 0 HB3 PRO A 56 -1.200 8.957 -1.083 1.00 1.35 H new ATOM 0 HG2 PRO A 56 0.145 11.349 0.127 1.00 1.48 H new ATOM 0 HG3 PRO A 56 -0.044 10.923 -1.562 1.00 1.48 H new ATOM 0 HD2 PRO A 56 -1.602 12.819 -0.475 1.00 1.33 H new ATOM 0 HD3 PRO A 56 -2.275 11.706 -1.650 1.00 1.33 H new ATOM 953 N LYS A 57 -1.324 10.436 2.796 1.00 0.99 N ATOM 954 CA LYS A 57 -0.930 10.225 4.185 1.00 1.02 C ATOM 955 C LYS A 57 -2.144 10.264 5.097 1.00 0.82 C ATOM 956 O LYS A 57 -2.223 9.521 6.078 1.00 0.87 O ATOM 957 CB LYS A 57 0.067 11.284 4.648 1.00 1.25 C ATOM 958 CG LYS A 57 1.327 11.371 3.824 1.00 1.51 C ATOM 959 CD LYS A 57 2.335 12.244 4.534 1.00 1.62 C ATOM 960 CE LYS A 57 3.618 12.383 3.751 1.00 2.08 C ATOM 961 NZ LYS A 57 3.448 13.209 2.526 1.00 2.93 N ATOM 0 H LYS A 57 -1.067 11.346 2.415 1.00 0.99 H new ATOM 0 HA LYS A 57 -0.458 9.244 4.240 1.00 1.02 H new ATOM 0 HB2 LYS A 57 -0.426 12.256 4.636 1.00 1.25 H new ATOM 0 HB3 LYS A 57 0.340 11.078 5.683 1.00 1.25 H new ATOM 0 HG2 LYS A 57 1.740 10.375 3.666 1.00 1.51 H new ATOM 0 HG3 LYS A 57 1.103 11.783 2.840 1.00 1.51 H new ATOM 0 HD2 LYS A 57 1.904 13.231 4.702 1.00 1.62 H new ATOM 0 HD3 LYS A 57 2.553 11.821 5.515 1.00 1.62 H new ATOM 0 HE2 LYS A 57 4.381 12.833 4.386 1.00 2.08 H new ATOM 0 HE3 LYS A 57 3.979 11.393 3.471 1.00 2.08 H new ATOM 0 HZ1 LYS A 57 4.372 13.346 2.068 1.00 2.93 H new ATOM 0 HZ2 LYS A 57 2.804 12.726 1.868 1.00 2.93 H new ATOM 0 HZ3 LYS A 57 3.049 14.134 2.784 1.00 2.93 H new ATOM 975 N LYS A 58 -3.083 11.143 4.770 1.00 0.69 N ATOM 976 CA LYS A 58 -4.308 11.280 5.544 1.00 0.65 C ATOM 977 C LYS A 58 -5.178 10.042 5.379 1.00 0.56 C ATOM 978 O LYS A 58 -5.989 9.721 6.248 1.00 0.63 O ATOM 979 CB LYS A 58 -5.079 12.519 5.099 1.00 0.73 C ATOM 980 CG LYS A 58 -4.285 13.809 5.214 1.00 0.94 C ATOM 981 CD LYS A 58 -5.058 14.982 4.635 1.00 1.24 C ATOM 982 CE LYS A 58 -6.253 15.353 5.497 1.00 1.55 C ATOM 983 NZ LYS A 58 -7.244 16.164 4.746 1.00 2.16 N ATOM 0 H LYS A 58 -3.018 11.773 3.971 1.00 0.69 H new ATOM 0 HA LYS A 58 -4.042 11.388 6.596 1.00 0.65 H new ATOM 0 HB2 LYS A 58 -5.393 12.388 4.064 1.00 0.73 H new ATOM 0 HB3 LYS A 58 -5.985 12.606 5.698 1.00 0.73 H new ATOM 0 HG2 LYS A 58 -4.053 14.004 6.261 1.00 0.94 H new ATOM 0 HG3 LYS A 58 -3.335 13.702 4.691 1.00 0.94 H new ATOM 0 HD2 LYS A 58 -4.396 15.843 4.542 1.00 1.24 H new ATOM 0 HD3 LYS A 58 -5.399 14.732 3.630 1.00 1.24 H new ATOM 0 HE2 LYS A 58 -6.731 14.445 5.866 1.00 1.55 H new ATOM 0 HE3 LYS A 58 -5.913 15.911 6.369 1.00 1.55 H new ATOM 0 HZ1 LYS A 58 -7.947 16.553 5.407 1.00 2.16 H new ATOM 0 HZ2 LYS A 58 -6.757 16.944 4.260 1.00 2.16 H new ATOM 0 HZ3 LYS A 58 -7.723 15.564 4.045 1.00 2.16 H new ATOM 997 N GLY A 59 -4.999 9.360 4.253 1.00 0.54 N ATOM 998 CA GLY A 59 -5.720 8.133 4.002 1.00 0.59 C ATOM 999 C GLY A 59 -5.201 6.989 4.847 1.00 0.54 C ATOM 1000 O GLY A 59 -4.124 7.082 5.440 1.00 0.58 O ATOM 0 H GLY A 59 -4.362 9.640 3.507 1.00 0.54 H new ATOM 0 HA2 GLY A 59 -6.779 8.286 4.209 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -5.636 7.872 2.947 1.00 0.59 H new ATOM 1004 N ILE A 60 -5.956 5.904 4.893 1.00 0.49 N ATOM 1005 CA ILE A 60 -5.608 4.761 5.726 1.00 0.47 C ATOM 1006 C ILE A 60 -5.899 3.456 5.005 1.00 0.42 C ATOM 1007 O ILE A 60 -6.717 3.416 4.084 1.00 0.41 O ATOM 1008 CB ILE A 60 -6.390 4.764 7.058 1.00 0.51 C ATOM 1009 CG1 ILE A 60 -7.888 4.943 6.786 1.00 0.55 C ATOM 1010 CG2 ILE A 60 -5.870 5.845 7.993 1.00 0.60 C ATOM 1011 CD1 ILE A 60 -8.751 4.869 8.025 1.00 0.65 C ATOM 0 H ILE A 60 -6.819 5.789 4.361 1.00 0.49 H new ATOM 0 HA ILE A 60 -4.542 4.843 5.936 1.00 0.47 H new ATOM 0 HB ILE A 60 -6.240 3.804 7.552 1.00 0.51 H new ATOM 0 HG12 ILE A 60 -8.046 5.907 6.302 1.00 0.55 H new ATOM 0 HG13 ILE A 60 -8.213 4.176 6.083 1.00 0.55 H new ATOM 0 HG21 ILE A 60 -6.438 5.825 8.923 1.00 0.60 H new ATOM 0 HG22 ILE A 60 -4.816 5.665 8.207 1.00 0.60 H new ATOM 0 HG23 ILE A 60 -5.983 6.820 7.520 1.00 0.60 H new ATOM 0 HD11 ILE A 60 -9.797 5.005 7.749 1.00 0.65 H new ATOM 0 HD12 ILE A 60 -8.624 3.896 8.499 1.00 0.65 H new ATOM 0 HD13 ILE A 60 -8.455 5.653 8.722 1.00 0.65 H new ATOM 1023 N TRP A 61 -5.227 2.396 5.422 1.00 0.42 N ATOM 1024 CA TRP A 61 -5.521 1.067 4.921 1.00 0.40 C ATOM 1025 C TRP A 61 -6.541 0.395 5.823 1.00 0.40 C ATOM 1026 O TRP A 61 -6.387 0.372 7.043 1.00 0.48 O ATOM 1027 CB TRP A 61 -4.255 0.214 4.836 1.00 0.44 C ATOM 1028 CG TRP A 61 -3.360 0.583 3.695 1.00 0.43 C ATOM 1029 CD1 TRP A 61 -2.217 1.323 3.753 1.00 0.48 C ATOM 1030 CD2 TRP A 61 -3.532 0.216 2.323 1.00 0.41 C ATOM 1031 NE1 TRP A 61 -1.671 1.447 2.501 1.00 0.49 N ATOM 1032 CE2 TRP A 61 -2.458 0.772 1.605 1.00 0.45 C ATOM 1033 CE3 TRP A 61 -4.489 -0.532 1.633 1.00 0.41 C ATOM 1034 CZ2 TRP A 61 -2.317 0.606 0.230 1.00 0.48 C ATOM 1035 CZ3 TRP A 61 -4.349 -0.698 0.271 1.00 0.45 C ATOM 1036 CH2 TRP A 61 -3.268 -0.133 -0.417 1.00 0.48 C ATOM 0 H TRP A 61 -4.473 2.432 6.108 1.00 0.42 H new ATOM 0 HA TRP A 61 -5.930 1.163 3.915 1.00 0.40 H new ATOM 0 HB2 TRP A 61 -3.699 0.310 5.769 1.00 0.44 H new ATOM 0 HB3 TRP A 61 -4.539 -0.834 4.740 1.00 0.44 H new ATOM 0 HD1 TRP A 61 -1.802 1.750 4.654 1.00 0.48 H new ATOM 0 HE1 TRP A 61 -0.818 1.958 2.274 1.00 0.49 H new ATOM 0 HE3 TRP A 61 -5.324 -0.973 2.157 1.00 0.41 H new ATOM 0 HZ2 TRP A 61 -1.488 1.044 -0.305 1.00 0.48 H new ATOM 0 HZ3 TRP A 61 -5.084 -1.272 -0.273 1.00 0.45 H new ATOM 0 HH2 TRP A 61 -3.184 -0.285 -1.483 1.00 0.48 H new ATOM 1047 N LEU A 62 -7.588 -0.129 5.220 1.00 0.36 N ATOM 1048 CA LEU A 62 -8.637 -0.806 5.953 1.00 0.37 C ATOM 1049 C LEU A 62 -8.347 -2.302 6.007 1.00 0.42 C ATOM 1050 O LEU A 62 -8.466 -2.997 4.998 1.00 0.43 O ATOM 1051 CB LEU A 62 -9.992 -0.565 5.278 1.00 0.33 C ATOM 1052 CG LEU A 62 -10.340 0.897 4.981 1.00 0.31 C ATOM 1053 CD1 LEU A 62 -11.631 0.980 4.187 1.00 0.29 C ATOM 1054 CD2 LEU A 62 -10.466 1.695 6.265 1.00 0.35 C ATOM 0 H LEU A 62 -7.735 -0.098 4.211 1.00 0.36 H new ATOM 0 HA LEU A 62 -8.671 -0.409 6.968 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -10.013 -1.121 4.341 1.00 0.33 H new ATOM 0 HB3 LEU A 62 -10.773 -0.982 5.914 1.00 0.33 H new ATOM 0 HG LEU A 62 -9.531 1.325 4.389 1.00 0.31 H new ATOM 0 HD11 LEU A 62 -11.866 2.025 3.983 1.00 0.29 H new ATOM 0 HD12 LEU A 62 -11.514 0.444 3.245 1.00 0.29 H new ATOM 0 HD13 LEU A 62 -12.441 0.531 4.762 1.00 0.29 H new ATOM 0 HD21 LEU A 62 -10.713 2.730 6.028 1.00 0.35 H new ATOM 0 HD22 LEU A 62 -11.254 1.266 6.884 1.00 0.35 H new ATOM 0 HD23 LEU A 62 -9.521 1.663 6.807 1.00 0.35 H new ATOM 1066 N GLU A 63 -7.948 -2.795 7.172 1.00 0.48 N ATOM 1067 CA GLU A 63 -7.646 -4.212 7.334 1.00 0.55 C ATOM 1068 C GLU A 63 -8.909 -5.002 7.667 1.00 0.52 C ATOM 1069 O GLU A 63 -9.909 -4.437 8.113 1.00 0.48 O ATOM 1070 CB GLU A 63 -6.591 -4.424 8.422 1.00 0.65 C ATOM 1071 CG GLU A 63 -7.064 -4.082 9.825 1.00 0.68 C ATOM 1072 CD GLU A 63 -6.024 -4.411 10.875 1.00 1.07 C ATOM 1073 OE1 GLU A 63 -5.660 -5.601 11.001 1.00 1.42 O ATOM 1074 OE2 GLU A 63 -5.570 -3.490 11.579 1.00 1.30 O ATOM 0 H GLU A 63 -7.826 -2.237 8.017 1.00 0.48 H new ATOM 0 HA GLU A 63 -7.247 -4.577 6.388 1.00 0.55 H new ATOM 0 HB2 GLU A 63 -6.270 -5.466 8.403 1.00 0.65 H new ATOM 0 HB3 GLU A 63 -5.717 -3.817 8.188 1.00 0.65 H new ATOM 0 HG2 GLU A 63 -7.306 -3.021 9.876 1.00 0.68 H new ATOM 0 HG3 GLU A 63 -7.982 -4.629 10.041 1.00 0.68 H new ATOM 1081 N ALA A 64 -8.861 -6.307 7.442 1.00 0.58 N ATOM 1082 CA ALA A 64 -10.000 -7.181 7.704 1.00 0.58 C ATOM 1083 C ALA A 64 -10.331 -7.245 9.193 1.00 0.60 C ATOM 1084 O ALA A 64 -11.455 -7.573 9.570 1.00 0.65 O ATOM 1085 CB ALA A 64 -9.722 -8.576 7.170 1.00 0.64 C ATOM 0 H ALA A 64 -8.040 -6.789 7.076 1.00 0.58 H new ATOM 0 HA ALA A 64 -10.865 -6.763 7.189 1.00 0.58 H new ATOM 0 HB1 ALA A 64 -10.578 -9.220 7.371 1.00 0.64 H new ATOM 0 HB2 ALA A 64 -9.550 -8.526 6.095 1.00 0.64 H new ATOM 0 HB3 ALA A 64 -8.838 -8.984 7.661 1.00 0.64 H new ATOM 1091 N GLY A 65 -9.356 -6.906 10.027 1.00 0.64 N ATOM 1092 CA GLY A 65 -9.513 -7.040 11.464 1.00 0.70 C ATOM 1093 C GLY A 65 -10.310 -5.922 12.116 1.00 0.70 C ATOM 1094 O GLY A 65 -10.205 -5.717 13.322 1.00 0.84 O ATOM 0 H GLY A 65 -8.452 -6.538 9.731 1.00 0.64 H new ATOM 0 HA2 GLY A 65 -10.003 -7.990 11.677 1.00 0.70 H new ATOM 0 HA3 GLY A 65 -8.525 -7.081 11.923 1.00 0.70 H new ATOM 1098 N LYS A 66 -11.105 -5.193 11.338 1.00 0.60 N ATOM 1099 CA LYS A 66 -11.968 -4.161 11.903 1.00 0.61 C ATOM 1100 C LYS A 66 -13.105 -3.829 10.939 1.00 0.54 C ATOM 1101 O LYS A 66 -13.019 -4.109 9.735 1.00 0.47 O ATOM 1102 CB LYS A 66 -11.166 -2.892 12.252 1.00 0.66 C ATOM 1103 CG LYS A 66 -11.211 -1.800 11.193 1.00 0.60 C ATOM 1104 CD LYS A 66 -10.398 -2.153 9.962 1.00 0.56 C ATOM 1105 CE LYS A 66 -10.792 -1.286 8.777 1.00 0.61 C ATOM 1106 NZ LYS A 66 -12.194 -1.527 8.366 1.00 1.29 N ATOM 0 H LYS A 66 -11.170 -5.296 10.325 1.00 0.60 H new ATOM 0 HA LYS A 66 -12.396 -4.550 12.827 1.00 0.61 H new ATOM 0 HB2 LYS A 66 -11.545 -2.486 13.190 1.00 0.66 H new ATOM 0 HB3 LYS A 66 -10.126 -3.171 12.423 1.00 0.66 H new ATOM 0 HG2 LYS A 66 -12.246 -1.622 10.902 1.00 0.60 H new ATOM 0 HG3 LYS A 66 -10.835 -0.870 11.619 1.00 0.60 H new ATOM 0 HD2 LYS A 66 -9.337 -2.023 10.174 1.00 0.56 H new ATOM 0 HD3 LYS A 66 -10.547 -3.204 9.713 1.00 0.56 H new ATOM 0 HE2 LYS A 66 -10.664 -0.235 9.036 1.00 0.61 H new ATOM 0 HE3 LYS A 66 -10.126 -1.491 7.939 1.00 0.61 H new ATOM 0 HZ1 LYS A 66 -12.294 -1.343 7.347 1.00 1.29 H new ATOM 0 HZ2 LYS A 66 -12.449 -2.515 8.566 1.00 1.29 H new ATOM 0 HZ3 LYS A 66 -12.825 -0.893 8.896 1.00 1.29 H new ATOM 1120 N ALA A 67 -14.154 -3.205 11.455 1.00 0.57 N ATOM 1121 CA ALA A 67 -15.309 -2.864 10.646 1.00 0.52 C ATOM 1122 C ALA A 67 -15.057 -1.559 9.910 1.00 0.47 C ATOM 1123 O ALA A 67 -14.066 -0.876 10.168 1.00 0.47 O ATOM 1124 CB ALA A 67 -16.552 -2.768 11.515 1.00 0.59 C ATOM 0 H ALA A 67 -14.226 -2.925 12.433 1.00 0.57 H new ATOM 0 HA ALA A 67 -15.474 -3.650 9.909 1.00 0.52 H new ATOM 0 HB1 ALA A 67 -17.411 -2.511 10.895 1.00 0.59 H new ATOM 0 HB2 ALA A 67 -16.730 -3.726 12.003 1.00 0.59 H new ATOM 0 HB3 ALA A 67 -16.408 -1.997 12.272 1.00 0.59 H new ATOM 1130 N LEU A 68 -15.926 -1.218 8.978 1.00 0.45 N ATOM 1131 CA LEU A 68 -15.711 -0.042 8.151 1.00 0.40 C ATOM 1132 C LEU A 68 -16.046 1.227 8.922 1.00 0.43 C ATOM 1133 O LEU A 68 -15.227 2.140 9.024 1.00 0.44 O ATOM 1134 CB LEU A 68 -16.548 -0.119 6.880 1.00 0.37 C ATOM 1135 CG LEU A 68 -16.227 -1.288 5.946 1.00 0.36 C ATOM 1136 CD1 LEU A 68 -17.198 -1.317 4.777 1.00 0.36 C ATOM 1137 CD2 LEU A 68 -14.797 -1.188 5.441 1.00 0.37 C ATOM 0 H LEU A 68 -16.782 -1.733 8.774 1.00 0.45 H new ATOM 0 HA LEU A 68 -14.657 -0.012 7.874 1.00 0.40 H new ATOM 0 HB2 LEU A 68 -17.599 -0.181 7.162 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -16.421 0.811 6.326 1.00 0.37 H new ATOM 0 HG LEU A 68 -16.333 -2.216 6.508 1.00 0.36 H new ATOM 0 HD11 LEU A 68 -16.955 -2.154 4.123 1.00 0.36 H new ATOM 0 HD12 LEU A 68 -18.215 -1.432 5.152 1.00 0.36 H new ATOM 0 HD13 LEU A 68 -17.121 -0.385 4.217 1.00 0.36 H new ATOM 0 HD21 LEU A 68 -14.586 -2.027 4.778 1.00 0.37 H new ATOM 0 HD22 LEU A 68 -14.668 -0.253 4.895 1.00 0.37 H new ATOM 0 HD23 LEU A 68 -14.110 -1.212 6.287 1.00 0.37 H new ATOM 1149 N ASP A 69 -17.239 1.245 9.494 1.00 0.47 N ATOM 1150 CA ASP A 69 -17.748 2.400 10.222 1.00 0.52 C ATOM 1151 C ASP A 69 -17.017 2.560 11.545 1.00 0.58 C ATOM 1152 O ASP A 69 -17.148 3.577 12.226 1.00 0.65 O ATOM 1153 CB ASP A 69 -19.243 2.236 10.482 1.00 0.58 C ATOM 1154 CG ASP A 69 -19.533 1.341 11.672 1.00 0.86 C ATOM 1155 OD1 ASP A 69 -19.186 0.141 11.619 1.00 1.16 O ATOM 1156 OD2 ASP A 69 -20.113 1.827 12.662 1.00 1.14 O ATOM 0 H ASP A 69 -17.886 0.457 9.467 1.00 0.47 H new ATOM 0 HA ASP A 69 -17.581 3.290 9.616 1.00 0.52 H new ATOM 0 HB2 ASP A 69 -19.688 3.216 10.652 1.00 0.58 H new ATOM 0 HB3 ASP A 69 -19.719 1.820 9.594 1.00 0.58 H new ATOM 1161 N TYR A 70 -16.275 1.520 11.912 1.00 0.59 N ATOM 1162 CA TYR A 70 -15.389 1.564 13.051 1.00 0.65 C ATOM 1163 C TYR A 70 -14.459 2.768 12.933 1.00 0.62 C ATOM 1164 O TYR A 70 -14.197 3.470 13.907 1.00 0.67 O ATOM 1165 CB TYR A 70 -14.586 0.263 13.111 1.00 0.69 C ATOM 1166 CG TYR A 70 -13.546 0.243 14.193 1.00 0.81 C ATOM 1167 CD1 TYR A 70 -13.909 0.254 15.527 1.00 1.02 C ATOM 1168 CD2 TYR A 70 -12.202 0.224 13.872 1.00 0.84 C ATOM 1169 CE1 TYR A 70 -12.954 0.243 16.521 1.00 1.21 C ATOM 1170 CE2 TYR A 70 -11.238 0.214 14.856 1.00 1.05 C ATOM 1171 CZ TYR A 70 -11.618 0.225 16.182 1.00 1.22 C ATOM 1172 OH TYR A 70 -10.658 0.222 17.167 1.00 1.45 O ATOM 0 H TYR A 70 -16.277 0.625 11.422 1.00 0.59 H new ATOM 0 HA TYR A 70 -15.967 1.666 13.969 1.00 0.65 H new ATOM 0 HB2 TYR A 70 -15.272 -0.570 13.264 1.00 0.69 H new ATOM 0 HB3 TYR A 70 -14.099 0.103 12.149 1.00 0.69 H new ATOM 0 HD1 TYR A 70 -14.955 0.271 15.794 1.00 1.02 H new ATOM 0 HD2 TYR A 70 -11.903 0.217 12.834 1.00 0.84 H new ATOM 0 HE1 TYR A 70 -13.251 0.248 17.559 1.00 1.21 H new ATOM 0 HE2 TYR A 70 -10.191 0.198 14.591 1.00 1.05 H new ATOM 0 HH TYR A 70 -9.768 0.207 16.757 1.00 1.45 H new ATOM 1182 N TYR A 71 -13.957 2.987 11.724 1.00 0.57 N ATOM 1183 CA TYR A 71 -13.176 4.174 11.424 1.00 0.58 C ATOM 1184 C TYR A 71 -14.082 5.372 11.149 1.00 0.60 C ATOM 1185 O TYR A 71 -15.138 5.519 11.755 1.00 0.69 O ATOM 1186 CB TYR A 71 -12.237 3.914 10.249 1.00 0.56 C ATOM 1187 CG TYR A 71 -10.977 3.190 10.660 1.00 0.56 C ATOM 1188 CD1 TYR A 71 -9.887 3.881 11.159 1.00 0.58 C ATOM 1189 CD2 TYR A 71 -10.880 1.809 10.532 1.00 0.62 C ATOM 1190 CE1 TYR A 71 -8.730 3.215 11.522 1.00 0.63 C ATOM 1191 CE2 TYR A 71 -9.728 1.138 10.896 1.00 0.66 C ATOM 1192 CZ TYR A 71 -8.661 1.868 11.441 1.00 0.65 C ATOM 1193 OH TYR A 71 -7.504 1.184 11.747 1.00 0.72 O ATOM 0 H TYR A 71 -14.079 2.353 10.934 1.00 0.57 H new ATOM 0 HA TYR A 71 -12.570 4.413 12.298 1.00 0.58 H new ATOM 0 HB2 TYR A 71 -12.760 3.326 9.495 1.00 0.56 H new ATOM 0 HB3 TYR A 71 -11.971 4.864 9.785 1.00 0.56 H new ATOM 0 HD1 TYR A 71 -9.940 4.954 11.267 1.00 0.58 H new ATOM 0 HD2 TYR A 71 -11.719 1.252 10.142 1.00 0.62 H new ATOM 0 HE1 TYR A 71 -7.876 3.776 11.873 1.00 0.63 H new ATOM 0 HE2 TYR A 71 -9.650 0.069 10.763 1.00 0.66 H new ATOM 0 HH TYR A 71 -7.652 0.222 11.629 1.00 0.72 H new ATOM 1203 N MET A 72 -13.669 6.218 10.221 1.00 0.60 N ATOM 1204 CA MET A 72 -14.358 7.474 9.968 1.00 0.69 C ATOM 1205 C MET A 72 -15.184 7.426 8.685 1.00 0.63 C ATOM 1206 O MET A 72 -15.494 8.467 8.111 1.00 0.75 O ATOM 1207 CB MET A 72 -13.332 8.603 9.867 1.00 0.83 C ATOM 1208 CG MET A 72 -12.575 8.864 11.160 1.00 1.02 C ATOM 1209 SD MET A 72 -11.178 9.983 10.934 1.00 1.73 S ATOM 1210 CE MET A 72 -11.985 11.400 10.195 1.00 2.38 C ATOM 0 H MET A 72 -12.856 6.058 9.627 1.00 0.60 H new ATOM 0 HA MET A 72 -15.042 7.651 10.798 1.00 0.69 H new ATOM 0 HB2 MET A 72 -12.617 8.362 9.081 1.00 0.83 H new ATOM 0 HB3 MET A 72 -13.841 9.518 9.564 1.00 0.83 H new ATOM 0 HG2 MET A 72 -13.258 9.286 11.897 1.00 1.02 H new ATOM 0 HG3 MET A 72 -12.216 7.917 11.563 1.00 1.02 H new ATOM 0 HE1 MET A 72 -11.313 12.258 10.225 1.00 2.38 H new ATOM 0 HE2 MET A 72 -12.240 11.175 9.159 1.00 2.38 H new ATOM 0 HE3 MET A 72 -12.894 11.632 10.750 1.00 2.38 H new ATOM 1220 N LEU A 73 -15.559 6.233 8.238 1.00 0.56 N ATOM 1221 CA LEU A 73 -16.276 6.120 6.970 1.00 0.54 C ATOM 1222 C LEU A 73 -17.751 6.323 7.177 1.00 0.50 C ATOM 1223 O LEU A 73 -18.313 5.958 8.209 1.00 0.60 O ATOM 1224 CB LEU A 73 -16.063 4.775 6.272 1.00 0.71 C ATOM 1225 CG LEU A 73 -14.770 4.030 6.605 1.00 0.43 C ATOM 1226 CD1 LEU A 73 -14.659 2.776 5.755 1.00 0.88 C ATOM 1227 CD2 LEU A 73 -13.563 4.920 6.392 1.00 0.88 C ATOM 0 H LEU A 73 -15.385 5.350 8.719 1.00 0.56 H new ATOM 0 HA LEU A 73 -15.865 6.899 6.328 1.00 0.54 H new ATOM 0 HB2 LEU A 73 -16.904 4.126 6.518 1.00 0.71 H new ATOM 0 HB3 LEU A 73 -16.093 4.941 5.195 1.00 0.71 H new ATOM 0 HG LEU A 73 -14.798 3.744 7.657 1.00 0.43 H new ATOM 0 HD11 LEU A 73 -13.735 2.252 5.999 1.00 0.88 H new ATOM 0 HD12 LEU A 73 -15.510 2.124 5.955 1.00 0.88 H new ATOM 0 HD13 LEU A 73 -14.653 3.051 4.700 1.00 0.88 H new ATOM 0 HD21 LEU A 73 -12.656 4.367 6.636 1.00 0.88 H new ATOM 0 HD22 LEU A 73 -13.525 5.239 5.350 1.00 0.88 H new ATOM 0 HD23 LEU A 73 -13.638 5.796 7.037 1.00 0.88 H new ATOM 1239 N ARG A 74 -18.365 6.903 6.173 1.00 0.48 N ATOM 1240 CA ARG A 74 -19.775 7.197 6.194 1.00 0.52 C ATOM 1241 C ARG A 74 -20.287 7.349 4.775 1.00 0.46 C ATOM 1242 O ARG A 74 -19.599 6.999 3.817 1.00 0.45 O ATOM 1243 CB ARG A 74 -20.058 8.455 7.028 1.00 0.65 C ATOM 1244 CG ARG A 74 -18.949 9.507 6.984 1.00 1.17 C ATOM 1245 CD ARG A 74 -18.845 10.188 5.631 1.00 1.64 C ATOM 1246 NE ARG A 74 -17.454 10.439 5.256 1.00 2.05 N ATOM 1247 CZ ARG A 74 -17.003 11.574 4.725 1.00 2.72 C ATOM 1248 NH1 ARG A 74 -17.812 12.612 4.549 1.00 2.96 N ATOM 1249 NH2 ARG A 74 -15.728 11.676 4.378 1.00 3.29 N ATOM 0 H ARG A 74 -17.895 7.186 5.313 1.00 0.48 H new ATOM 0 HA ARG A 74 -20.304 6.369 6.666 1.00 0.52 H new ATOM 0 HB2 ARG A 74 -20.985 8.908 6.677 1.00 0.65 H new ATOM 0 HB3 ARG A 74 -20.220 8.160 8.065 1.00 0.65 H new ATOM 0 HG2 ARG A 74 -19.135 10.258 7.752 1.00 1.17 H new ATOM 0 HG3 ARG A 74 -17.996 9.035 7.224 1.00 1.17 H new ATOM 0 HD2 ARG A 74 -19.319 9.565 4.873 1.00 1.64 H new ATOM 0 HD3 ARG A 74 -19.391 11.131 5.656 1.00 1.64 H new ATOM 0 HE ARG A 74 -16.780 9.690 5.413 1.00 2.05 H new ATOM 0 HH11 ARG A 74 -18.793 12.546 4.822 1.00 2.96 H new ATOM 0 HH12 ARG A 74 -17.453 13.475 4.141 1.00 2.96 H new ATOM 0 HH21 ARG A 74 -15.097 10.887 4.518 1.00 3.29 H new ATOM 0 HH22 ARG A 74 -15.378 12.543 3.971 1.00 3.29 H new ATOM 1263 N ASN A 75 -21.479 7.881 4.646 1.00 0.49 N ATOM 1264 CA ASN A 75 -22.108 8.036 3.344 1.00 0.47 C ATOM 1265 C ASN A 75 -21.428 9.136 2.548 1.00 0.48 C ATOM 1266 O ASN A 75 -21.497 10.316 2.899 1.00 0.56 O ATOM 1267 CB ASN A 75 -23.605 8.318 3.492 1.00 0.52 C ATOM 1268 CG ASN A 75 -24.432 7.051 3.404 1.00 0.52 C ATOM 1269 OD1 ASN A 75 -24.919 6.688 2.337 1.00 0.72 O ATOM 1270 ND2 ASN A 75 -24.588 6.357 4.514 1.00 0.51 N ATOM 0 H ASN A 75 -22.040 8.217 5.428 1.00 0.49 H new ATOM 0 HA ASN A 75 -21.994 7.100 2.798 1.00 0.47 H new ATOM 0 HB2 ASN A 75 -23.789 8.806 4.449 1.00 0.52 H new ATOM 0 HB3 ASN A 75 -23.922 9.013 2.714 1.00 0.52 H new ATOM 0 HD21 ASN A 75 -25.126 5.491 4.502 1.00 0.51 H new ATOM 0 HD22 ASN A 75 -24.170 6.686 5.384 1.00 0.51 H new ATOM 1277 N GLY A 76 -20.747 8.735 1.488 1.00 0.45 N ATOM 1278 CA GLY A 76 -20.051 9.681 0.652 1.00 0.51 C ATOM 1279 C GLY A 76 -18.549 9.560 0.780 1.00 0.47 C ATOM 1280 O GLY A 76 -17.810 10.308 0.138 1.00 0.55 O ATOM 0 H GLY A 76 -20.665 7.762 1.192 1.00 0.45 H new ATOM 0 HA2 GLY A 76 -20.339 9.525 -0.388 1.00 0.51 H new ATOM 0 HA3 GLY A 76 -20.356 10.693 0.919 1.00 0.51 H new ATOM 1284 N ASP A 77 -18.083 8.628 1.606 1.00 0.42 N ATOM 1285 CA ASP A 77 -16.655 8.433 1.776 1.00 0.42 C ATOM 1286 C ASP A 77 -16.077 7.715 0.567 1.00 0.38 C ATOM 1287 O ASP A 77 -16.573 6.661 0.164 1.00 0.40 O ATOM 1288 CB ASP A 77 -16.362 7.629 3.041 1.00 0.44 C ATOM 1289 CG ASP A 77 -15.308 8.284 3.905 1.00 0.74 C ATOM 1290 OD1 ASP A 77 -14.187 8.502 3.406 1.00 1.05 O ATOM 1291 OD2 ASP A 77 -15.587 8.573 5.086 1.00 1.00 O ATOM 0 H ASP A 77 -18.669 8.004 2.161 1.00 0.42 H new ATOM 0 HA ASP A 77 -16.188 9.413 1.871 1.00 0.42 H new ATOM 0 HB2 ASP A 77 -17.280 7.514 3.617 1.00 0.44 H new ATOM 0 HB3 ASP A 77 -16.031 6.628 2.764 1.00 0.44 H new ATOM 1296 N THR A 78 -15.055 8.299 -0.028 1.00 0.36 N ATOM 1297 CA THR A 78 -14.369 7.671 -1.137 1.00 0.35 C ATOM 1298 C THR A 78 -13.427 6.599 -0.613 1.00 0.31 C ATOM 1299 O THR A 78 -12.559 6.872 0.217 1.00 0.34 O ATOM 1300 CB THR A 78 -13.573 8.707 -1.952 1.00 0.42 C ATOM 1301 OG1 THR A 78 -14.431 9.799 -2.306 1.00 0.50 O ATOM 1302 CG2 THR A 78 -12.988 8.084 -3.213 1.00 0.42 C ATOM 0 H THR A 78 -14.682 9.210 0.240 1.00 0.36 H new ATOM 0 HA THR A 78 -15.115 7.219 -1.791 1.00 0.35 H new ATOM 0 HB THR A 78 -12.748 9.067 -1.337 1.00 0.42 H new ATOM 0 HG1 THR A 78 -13.924 10.459 -2.823 1.00 0.50 H new ATOM 0 HG21 THR A 78 -12.432 8.840 -3.768 1.00 0.42 H new ATOM 0 HG22 THR A 78 -12.319 7.269 -2.939 1.00 0.42 H new ATOM 0 HG23 THR A 78 -13.795 7.697 -3.836 1.00 0.42 H new ATOM 1310 N MET A 79 -13.592 5.385 -1.096 1.00 0.27 N ATOM 1311 CA MET A 79 -12.782 4.283 -0.640 1.00 0.27 C ATOM 1312 C MET A 79 -12.170 3.595 -1.848 1.00 0.28 C ATOM 1313 O MET A 79 -12.868 2.999 -2.667 1.00 0.27 O ATOM 1314 CB MET A 79 -13.619 3.314 0.205 1.00 0.23 C ATOM 1315 CG MET A 79 -12.782 2.372 1.054 1.00 0.27 C ATOM 1316 SD MET A 79 -12.374 0.832 0.215 1.00 0.65 S ATOM 1317 CE MET A 79 -13.936 -0.036 0.336 1.00 0.24 C ATOM 0 H MET A 79 -14.282 5.140 -1.806 1.00 0.27 H new ATOM 0 HA MET A 79 -11.978 4.648 -0.000 1.00 0.27 H new ATOM 0 HB2 MET A 79 -14.278 3.888 0.856 1.00 0.23 H new ATOM 0 HB3 MET A 79 -14.256 2.726 -0.455 1.00 0.23 H new ATOM 0 HG2 MET A 79 -11.860 2.876 1.342 1.00 0.27 H new ATOM 0 HG3 MET A 79 -13.322 2.145 1.973 1.00 0.27 H new ATOM 0 HE1 MET A 79 -13.886 -0.957 -0.245 1.00 0.24 H new ATOM 0 HE2 MET A 79 -14.139 -0.276 1.380 1.00 0.24 H new ATOM 0 HE3 MET A 79 -14.734 0.596 -0.053 1.00 0.24 H new ATOM 1327 N GLU A 80 -10.866 3.723 -1.964 1.00 0.32 N ATOM 1328 CA GLU A 80 -10.144 3.213 -3.107 1.00 0.35 C ATOM 1329 C GLU A 80 -9.964 1.711 -2.965 1.00 0.33 C ATOM 1330 O GLU A 80 -9.408 1.241 -1.972 1.00 0.33 O ATOM 1331 CB GLU A 80 -8.771 3.904 -3.180 1.00 0.40 C ATOM 1332 CG GLU A 80 -8.066 3.750 -4.516 1.00 0.53 C ATOM 1333 CD GLU A 80 -6.744 4.492 -4.578 1.00 0.69 C ATOM 1334 OE1 GLU A 80 -6.752 5.740 -4.551 1.00 1.04 O ATOM 1335 OE2 GLU A 80 -5.689 3.829 -4.631 1.00 1.04 O ATOM 0 H GLU A 80 -10.278 4.183 -1.269 1.00 0.32 H new ATOM 0 HA GLU A 80 -10.702 3.417 -4.021 1.00 0.35 H new ATOM 0 HB2 GLU A 80 -8.900 4.966 -2.970 1.00 0.40 H new ATOM 0 HB3 GLU A 80 -8.131 3.499 -2.396 1.00 0.40 H new ATOM 0 HG2 GLU A 80 -7.891 2.691 -4.709 1.00 0.53 H new ATOM 0 HG3 GLU A 80 -8.719 4.115 -5.309 1.00 0.53 H new ATOM 1342 N TYR A 81 -10.409 0.947 -3.953 1.00 0.33 N ATOM 1343 CA TYR A 81 -10.129 -0.470 -3.967 1.00 0.33 C ATOM 1344 C TYR A 81 -8.909 -0.677 -4.823 1.00 0.36 C ATOM 1345 O TYR A 81 -8.969 -0.615 -6.052 1.00 0.39 O ATOM 1346 CB TYR A 81 -11.311 -1.274 -4.516 1.00 0.33 C ATOM 1347 CG TYR A 81 -11.129 -2.775 -4.407 1.00 0.33 C ATOM 1348 CD1 TYR A 81 -11.517 -3.466 -3.266 1.00 0.34 C ATOM 1349 CD2 TYR A 81 -10.567 -3.501 -5.448 1.00 0.37 C ATOM 1350 CE1 TYR A 81 -11.351 -4.836 -3.170 1.00 0.36 C ATOM 1351 CE2 TYR A 81 -10.399 -4.869 -5.359 1.00 0.39 C ATOM 1352 CZ TYR A 81 -10.800 -5.531 -4.194 1.00 0.38 C ATOM 1353 OH TYR A 81 -10.620 -6.896 -4.129 1.00 0.42 O ATOM 0 H TYR A 81 -10.958 1.285 -4.743 1.00 0.33 H new ATOM 0 HA TYR A 81 -9.957 -0.823 -2.950 1.00 0.33 H new ATOM 0 HB2 TYR A 81 -12.215 -0.986 -3.980 1.00 0.33 H new ATOM 0 HB3 TYR A 81 -11.464 -1.010 -5.563 1.00 0.33 H new ATOM 0 HD1 TYR A 81 -11.955 -2.925 -2.441 1.00 0.34 H new ATOM 0 HD2 TYR A 81 -10.255 -2.986 -6.345 1.00 0.37 H new ATOM 0 HE1 TYR A 81 -11.662 -5.354 -2.275 1.00 0.36 H new ATOM 0 HE2 TYR A 81 -9.963 -5.421 -6.179 1.00 0.39 H new ATOM 0 HH TYR A 81 -10.211 -7.212 -4.962 1.00 0.42 H new ATOM 1363 N ARG A 82 -7.798 -0.883 -4.171 1.00 0.37 N ATOM 1364 CA ARG A 82 -6.534 -0.911 -4.859 1.00 0.39 C ATOM 1365 C ARG A 82 -5.723 -2.102 -4.427 1.00 0.40 C ATOM 1366 O ARG A 82 -6.053 -2.779 -3.449 1.00 0.42 O ATOM 1367 CB ARG A 82 -5.743 0.367 -4.588 1.00 0.42 C ATOM 1368 CG ARG A 82 -5.499 0.625 -3.111 1.00 0.44 C ATOM 1369 CD ARG A 82 -4.504 1.750 -2.901 1.00 0.56 C ATOM 1370 NE ARG A 82 -3.164 1.397 -3.372 1.00 0.65 N ATOM 1371 CZ ARG A 82 -2.403 2.204 -4.105 1.00 0.88 C ATOM 1372 NH1 ARG A 82 -2.902 3.347 -4.567 1.00 1.08 N ATOM 1373 NH2 ARG A 82 -1.157 1.853 -4.406 1.00 1.03 N ATOM 0 H ARG A 82 -7.741 -1.034 -3.164 1.00 0.37 H new ATOM 0 HA ARG A 82 -6.737 -0.984 -5.927 1.00 0.39 H new ATOM 0 HB2 ARG A 82 -4.784 0.307 -5.102 1.00 0.42 H new ATOM 0 HB3 ARG A 82 -6.280 1.215 -5.013 1.00 0.42 H new ATOM 0 HG2 ARG A 82 -6.441 0.875 -2.624 1.00 0.44 H new ATOM 0 HG3 ARG A 82 -5.127 -0.284 -2.638 1.00 0.44 H new ATOM 0 HD2 ARG A 82 -4.849 2.641 -3.426 1.00 0.56 H new ATOM 0 HD3 ARG A 82 -4.460 2.001 -1.841 1.00 0.56 H new ATOM 0 HE ARG A 82 -2.793 0.480 -3.124 1.00 0.65 H new ATOM 0 HH11 ARG A 82 -3.867 3.603 -4.359 1.00 1.08 H new ATOM 0 HH12 ARG A 82 -2.320 3.967 -5.129 1.00 1.08 H new ATOM 0 HH21 ARG A 82 -0.784 0.964 -4.075 1.00 1.03 H new ATOM 0 HH22 ARG A 82 -0.574 2.473 -4.968 1.00 1.03 H new ATOM 1387 N LYS A 83 -4.662 -2.350 -5.156 1.00 0.43 N ATOM 1388 CA LYS A 83 -3.721 -3.360 -4.769 1.00 0.45 C ATOM 1389 C LYS A 83 -3.049 -2.907 -3.481 1.00 0.42 C ATOM 1390 O LYS A 83 -2.684 -1.735 -3.347 1.00 0.42 O ATOM 1391 CB LYS A 83 -2.706 -3.578 -5.896 1.00 0.53 C ATOM 1392 CG LYS A 83 -1.848 -4.821 -5.740 1.00 0.60 C ATOM 1393 CD LYS A 83 -1.222 -5.222 -7.063 1.00 0.70 C ATOM 1394 CE LYS A 83 -0.366 -6.469 -6.924 1.00 1.25 C ATOM 1395 NZ LYS A 83 0.200 -6.894 -8.232 1.00 1.74 N ATOM 0 H LYS A 83 -4.433 -1.862 -6.022 1.00 0.43 H new ATOM 0 HA LYS A 83 -4.218 -4.314 -4.593 1.00 0.45 H new ATOM 0 HB2 LYS A 83 -3.242 -3.638 -6.843 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -2.054 -2.707 -5.954 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.065 -4.636 -5.005 1.00 0.60 H new ATOM 0 HG3 LYS A 83 -2.456 -5.641 -5.359 1.00 0.60 H new ATOM 0 HD2 LYS A 83 -2.007 -5.399 -7.798 1.00 0.70 H new ATOM 0 HD3 LYS A 83 -0.611 -4.402 -7.440 1.00 0.70 H new ATOM 0 HE2 LYS A 83 0.445 -6.278 -6.221 1.00 1.25 H new ATOM 0 HE3 LYS A 83 -0.966 -7.278 -6.506 1.00 1.25 H new ATOM 0 HZ1 LYS A 83 0.779 -7.748 -8.099 1.00 1.74 H new ATOM 0 HZ2 LYS A 83 -0.574 -7.100 -8.895 1.00 1.74 H new ATOM 0 HZ3 LYS A 83 0.792 -6.131 -8.618 1.00 1.74 H new ATOM 1409 N LYS A 84 -2.939 -3.821 -2.525 1.00 0.44 N ATOM 1410 CA LYS A 84 -2.286 -3.546 -1.249 1.00 0.46 C ATOM 1411 C LYS A 84 -0.890 -3.004 -1.482 1.00 0.46 C ATOM 1412 O LYS A 84 -0.337 -2.279 -0.658 1.00 0.52 O ATOM 1413 CB LYS A 84 -2.182 -4.830 -0.427 1.00 0.54 C ATOM 1414 CG LYS A 84 -3.428 -5.184 0.360 1.00 0.55 C ATOM 1415 CD LYS A 84 -3.641 -4.218 1.508 1.00 0.66 C ATOM 1416 CE LYS A 84 -4.521 -4.823 2.587 1.00 0.67 C ATOM 1417 NZ LYS A 84 -3.926 -6.064 3.150 1.00 1.32 N ATOM 0 H LYS A 84 -3.299 -4.772 -2.611 1.00 0.44 H new ATOM 0 HA LYS A 84 -2.881 -2.809 -0.710 1.00 0.46 H new ATOM 0 HB2 LYS A 84 -1.946 -5.656 -1.098 1.00 0.54 H new ATOM 0 HB3 LYS A 84 -1.346 -4.734 0.266 1.00 0.54 H new ATOM 0 HG2 LYS A 84 -4.296 -5.167 -0.300 1.00 0.55 H new ATOM 0 HG3 LYS A 84 -3.342 -6.200 0.746 1.00 0.55 H new ATOM 0 HD2 LYS A 84 -2.677 -3.941 1.936 1.00 0.66 H new ATOM 0 HD3 LYS A 84 -4.099 -3.302 1.134 1.00 0.66 H new ATOM 0 HE2 LYS A 84 -4.670 -4.096 3.385 1.00 0.67 H new ATOM 0 HE3 LYS A 84 -5.504 -5.046 2.172 1.00 0.67 H new ATOM 0 HZ1 LYS A 84 -4.286 -6.215 4.114 1.00 1.32 H new ATOM 0 HZ2 LYS A 84 -4.185 -6.875 2.553 1.00 1.32 H new ATOM 0 HZ3 LYS A 84 -2.891 -5.971 3.177 1.00 1.32 H new ATOM 1431 N GLN A 85 -0.341 -3.373 -2.622 1.00 0.44 N ATOM 1432 CA GLN A 85 1.017 -3.047 -2.971 1.00 0.47 C ATOM 1433 C GLN A 85 1.093 -1.750 -3.765 1.00 0.52 C ATOM 1434 O GLN A 85 0.160 -0.941 -3.763 1.00 0.83 O ATOM 1435 CB GLN A 85 1.611 -4.205 -3.772 1.00 0.53 C ATOM 1436 CG GLN A 85 1.005 -5.553 -3.410 1.00 0.50 C ATOM 1437 CD GLN A 85 1.961 -6.699 -3.632 1.00 0.64 C ATOM 1438 OE1 GLN A 85 2.066 -7.229 -4.738 1.00 1.10 O ATOM 1439 NE2 GLN A 85 2.625 -7.119 -2.570 1.00 0.72 N ATOM 0 H GLN A 85 -0.833 -3.912 -3.334 1.00 0.44 H new ATOM 0 HA GLN A 85 1.591 -2.896 -2.057 1.00 0.47 H new ATOM 0 HB2 GLN A 85 1.460 -4.019 -4.835 1.00 0.53 H new ATOM 0 HB3 GLN A 85 2.687 -4.240 -3.605 1.00 0.53 H new ATOM 0 HG2 GLN A 85 0.697 -5.539 -2.365 1.00 0.50 H new ATOM 0 HG3 GLN A 85 0.106 -5.714 -4.005 1.00 0.50 H new ATOM 0 HE21 GLN A 85 2.505 -6.647 -1.674 1.00 0.72 H new ATOM 0 HE22 GLN A 85 3.258 -7.915 -2.646 1.00 0.72 H new ATOM 1448 N ARG A 86 2.204 -1.586 -4.470 1.00 0.50 N ATOM 1449 CA ARG A 86 2.549 -0.336 -5.131 1.00 0.52 C ATOM 1450 C ARG A 86 3.906 -0.488 -5.807 1.00 0.50 C ATOM 1451 O ARG A 86 4.806 -1.119 -5.253 1.00 0.53 O ATOM 1452 CB ARG A 86 2.539 0.841 -4.136 1.00 0.67 C ATOM 1453 CG ARG A 86 3.053 0.508 -2.739 1.00 0.85 C ATOM 1454 CD ARG A 86 4.569 0.567 -2.644 1.00 0.98 C ATOM 1455 NE ARG A 86 5.089 1.869 -3.058 1.00 1.13 N ATOM 1456 CZ ARG A 86 4.792 3.024 -2.452 1.00 1.24 C ATOM 1457 NH1 ARG A 86 4.001 3.040 -1.382 1.00 1.62 N ATOM 1458 NH2 ARG A 86 5.294 4.163 -2.911 1.00 1.85 N ATOM 0 H ARG A 86 2.897 -2.323 -4.600 1.00 0.50 H new ATOM 0 HA ARG A 86 1.800 -0.110 -5.890 1.00 0.52 H new ATOM 0 HB2 ARG A 86 3.144 1.649 -4.546 1.00 0.67 H new ATOM 0 HB3 ARG A 86 1.519 1.217 -4.052 1.00 0.67 H new ATOM 0 HG2 ARG A 86 2.620 1.205 -2.021 1.00 0.85 H new ATOM 0 HG3 ARG A 86 2.714 -0.489 -2.459 1.00 0.85 H new ATOM 0 HD2 ARG A 86 4.877 0.362 -1.619 1.00 0.98 H new ATOM 0 HD3 ARG A 86 5.003 -0.213 -3.269 1.00 0.98 H new ATOM 0 HE ARG A 86 5.718 1.899 -3.860 1.00 1.13 H new ATOM 0 HH11 ARG A 86 3.617 2.168 -1.019 1.00 1.62 H new ATOM 0 HH12 ARG A 86 3.779 3.925 -0.925 1.00 1.62 H new ATOM 0 HH21 ARG A 86 5.907 4.158 -3.726 1.00 1.85 H new ATOM 0 HH22 ARG A 86 5.067 5.043 -2.449 1.00 1.85 H new ATOM 1472 N PRO A 87 4.057 0.046 -7.028 1.00 0.52 N ATOM 1473 CA PRO A 87 5.282 -0.117 -7.809 1.00 0.52 C ATOM 1474 C PRO A 87 6.479 0.570 -7.163 1.00 0.53 C ATOM 1475 O PRO A 87 6.573 1.800 -7.137 1.00 0.62 O ATOM 1476 CB PRO A 87 4.959 0.525 -9.165 1.00 0.57 C ATOM 1477 CG PRO A 87 3.475 0.686 -9.186 1.00 0.86 C ATOM 1478 CD PRO A 87 3.049 0.830 -7.753 1.00 0.60 C ATOM 0 HA PRO A 87 5.563 -1.167 -7.889 1.00 0.52 H new ATOM 0 HB2 PRO A 87 5.460 1.487 -9.273 1.00 0.57 H new ATOM 0 HB3 PRO A 87 5.297 -0.105 -9.988 1.00 0.57 H new ATOM 0 HG2 PRO A 87 3.187 1.562 -9.768 1.00 0.86 H new ATOM 0 HG3 PRO A 87 2.996 -0.177 -9.650 1.00 0.86 H new ATOM 0 HD2 PRO A 87 3.044 1.873 -7.436 1.00 0.60 H new ATOM 0 HD3 PRO A 87 2.043 0.443 -7.590 1.00 0.60 H new ATOM 1486 N LEU A 88 7.381 -0.234 -6.627 1.00 0.50 N ATOM 1487 CA LEU A 88 8.589 0.275 -6.003 1.00 0.53 C ATOM 1488 C LEU A 88 9.772 0.140 -6.948 1.00 0.44 C ATOM 1489 O LEU A 88 10.105 -0.966 -7.376 1.00 0.42 O ATOM 1490 CB LEU A 88 8.875 -0.457 -4.690 1.00 0.63 C ATOM 1491 CG LEU A 88 8.082 0.047 -3.482 1.00 0.88 C ATOM 1492 CD1 LEU A 88 8.270 -0.875 -2.294 1.00 1.19 C ATOM 1493 CD2 LEU A 88 8.515 1.459 -3.118 1.00 1.51 C ATOM 0 H LEU A 88 7.298 -1.250 -6.612 1.00 0.50 H new ATOM 0 HA LEU A 88 8.436 1.331 -5.780 1.00 0.53 H new ATOM 0 HB2 LEU A 88 8.662 -1.517 -4.829 1.00 0.63 H new ATOM 0 HB3 LEU A 88 9.939 -0.372 -4.468 1.00 0.63 H new ATOM 0 HG LEU A 88 7.025 0.058 -3.749 1.00 0.88 H new ATOM 0 HD11 LEU A 88 7.698 -0.498 -1.447 1.00 1.19 H new ATOM 0 HD12 LEU A 88 7.921 -1.875 -2.551 1.00 1.19 H new ATOM 0 HD13 LEU A 88 9.326 -0.916 -2.029 1.00 1.19 H new ATOM 0 HD21 LEU A 88 7.943 1.805 -2.257 1.00 1.51 H new ATOM 0 HD22 LEU A 88 9.577 1.462 -2.873 1.00 1.51 H new ATOM 0 HD23 LEU A 88 8.336 2.124 -3.963 1.00 1.51 H new ATOM 1505 N LYS A 89 10.391 1.261 -7.284 1.00 0.44 N ATOM 1506 CA LYS A 89 11.597 1.242 -8.093 1.00 0.42 C ATOM 1507 C LYS A 89 12.805 1.101 -7.184 1.00 0.39 C ATOM 1508 O LYS A 89 13.152 2.024 -6.455 1.00 0.42 O ATOM 1509 CB LYS A 89 11.718 2.506 -8.953 1.00 0.51 C ATOM 1510 CG LYS A 89 11.200 2.330 -10.375 1.00 0.69 C ATOM 1511 CD LYS A 89 9.682 2.244 -10.436 1.00 0.93 C ATOM 1512 CE LYS A 89 9.039 3.621 -10.383 1.00 1.49 C ATOM 1513 NZ LYS A 89 7.570 3.556 -10.607 1.00 2.11 N ATOM 0 H LYS A 89 10.078 2.192 -7.009 1.00 0.44 H new ATOM 0 HA LYS A 89 11.547 0.391 -8.773 1.00 0.42 H new ATOM 0 HB2 LYS A 89 11.168 3.316 -8.473 1.00 0.51 H new ATOM 0 HB3 LYS A 89 12.764 2.810 -8.992 1.00 0.51 H new ATOM 0 HG2 LYS A 89 11.538 3.166 -10.987 1.00 0.69 H new ATOM 0 HG3 LYS A 89 11.629 1.425 -10.805 1.00 0.69 H new ATOM 0 HD2 LYS A 89 9.383 1.737 -11.354 1.00 0.93 H new ATOM 0 HD3 LYS A 89 9.318 1.640 -9.605 1.00 0.93 H new ATOM 0 HE2 LYS A 89 9.239 4.078 -9.414 1.00 1.49 H new ATOM 0 HE3 LYS A 89 9.493 4.263 -11.138 1.00 1.49 H new ATOM 0 HZ1 LYS A 89 7.324 4.104 -11.456 1.00 2.11 H new ATOM 0 HZ2 LYS A 89 7.282 2.565 -10.738 1.00 2.11 H new ATOM 0 HZ3 LYS A 89 7.075 3.954 -9.783 1.00 2.11 H new ATOM 1527 N ILE A 90 13.448 -0.047 -7.246 1.00 0.36 N ATOM 1528 CA ILE A 90 14.506 -0.384 -6.307 1.00 0.33 C ATOM 1529 C ILE A 90 15.807 -0.650 -7.053 1.00 0.35 C ATOM 1530 O ILE A 90 15.835 -1.445 -7.990 1.00 0.36 O ATOM 1531 CB ILE A 90 14.139 -1.634 -5.471 1.00 0.32 C ATOM 1532 CG1 ILE A 90 12.805 -1.430 -4.742 1.00 0.35 C ATOM 1533 CG2 ILE A 90 15.245 -1.961 -4.475 1.00 0.33 C ATOM 1534 CD1 ILE A 90 12.817 -0.294 -3.740 1.00 0.36 C ATOM 0 H ILE A 90 13.257 -0.769 -7.941 1.00 0.36 H new ATOM 0 HA ILE A 90 14.631 0.464 -5.634 1.00 0.33 H new ATOM 0 HB ILE A 90 14.031 -2.476 -6.154 1.00 0.32 H new ATOM 0 HG12 ILE A 90 12.025 -1.242 -5.480 1.00 0.35 H new ATOM 0 HG13 ILE A 90 12.540 -2.353 -4.226 1.00 0.35 H new ATOM 0 HG21 ILE A 90 14.966 -2.843 -3.898 1.00 0.33 H new ATOM 0 HG22 ILE A 90 16.172 -2.158 -5.013 1.00 0.33 H new ATOM 0 HG23 ILE A 90 15.389 -1.117 -3.801 1.00 0.33 H new ATOM 0 HD11 ILE A 90 11.838 -0.215 -3.268 1.00 0.36 H new ATOM 0 HD12 ILE A 90 13.572 -0.488 -2.979 1.00 0.36 H new ATOM 0 HD13 ILE A 90 13.049 0.640 -4.252 1.00 0.36 H new ATOM 1546 N ARG A 91 16.880 0.011 -6.644 1.00 0.38 N ATOM 1547 CA ARG A 91 18.183 -0.194 -7.254 1.00 0.43 C ATOM 1548 C ARG A 91 19.075 -0.964 -6.287 1.00 0.42 C ATOM 1549 O ARG A 91 19.308 -0.526 -5.160 1.00 0.44 O ATOM 1550 CB ARG A 91 18.819 1.151 -7.611 1.00 0.52 C ATOM 1551 CG ARG A 91 20.057 1.049 -8.484 1.00 0.57 C ATOM 1552 CD ARG A 91 20.521 2.424 -8.949 1.00 0.74 C ATOM 1553 NE ARG A 91 19.533 3.063 -9.822 1.00 0.72 N ATOM 1554 CZ ARG A 91 19.272 4.373 -9.837 1.00 1.09 C ATOM 1555 NH1 ARG A 91 19.925 5.209 -9.037 1.00 1.82 N ATOM 1556 NH2 ARG A 91 18.354 4.850 -10.662 1.00 1.12 N ATOM 0 H ARG A 91 16.872 0.697 -5.889 1.00 0.38 H new ATOM 0 HA ARG A 91 18.066 -0.770 -8.172 1.00 0.43 H new ATOM 0 HB2 ARG A 91 18.078 1.765 -8.123 1.00 0.52 H new ATOM 0 HB3 ARG A 91 19.081 1.671 -6.690 1.00 0.52 H new ATOM 0 HG2 ARG A 91 20.858 0.561 -7.928 1.00 0.57 H new ATOM 0 HG3 ARG A 91 19.843 0.423 -9.350 1.00 0.57 H new ATOM 0 HD2 ARG A 91 20.705 3.058 -8.082 1.00 0.74 H new ATOM 0 HD3 ARG A 91 21.468 2.328 -9.480 1.00 0.74 H new ATOM 0 HE ARG A 91 19.009 2.467 -10.462 1.00 0.72 H new ATOM 0 HH11 ARG A 91 20.637 4.853 -8.399 1.00 1.82 H new ATOM 0 HH12 ARG A 91 19.714 6.207 -9.060 1.00 1.82 H new ATOM 0 HH21 ARG A 91 17.849 4.218 -11.283 1.00 1.12 H new ATOM 0 HH22 ARG A 91 18.152 5.850 -10.677 1.00 1.12 H new ATOM 1570 N MET A 92 19.556 -2.109 -6.730 1.00 0.42 N ATOM 1571 CA MET A 92 20.323 -3.016 -5.890 1.00 0.44 C ATOM 1572 C MET A 92 21.787 -2.608 -5.803 1.00 0.48 C ATOM 1573 O MET A 92 22.200 -1.627 -6.419 1.00 0.51 O ATOM 1574 CB MET A 92 20.215 -4.431 -6.448 1.00 0.46 C ATOM 1575 CG MET A 92 19.231 -5.320 -5.714 1.00 0.57 C ATOM 1576 SD MET A 92 17.687 -4.495 -5.287 1.00 1.04 S ATOM 1577 CE MET A 92 16.971 -4.265 -6.907 1.00 0.34 C ATOM 0 H MET A 92 19.427 -2.440 -7.686 1.00 0.42 H new ATOM 0 HA MET A 92 19.909 -2.975 -4.882 1.00 0.44 H new ATOM 0 HB2 MET A 92 19.922 -4.374 -7.496 1.00 0.46 H new ATOM 0 HB3 MET A 92 21.200 -4.897 -6.417 1.00 0.46 H new ATOM 0 HG2 MET A 92 19.009 -6.189 -6.333 1.00 0.57 H new ATOM 0 HG3 MET A 92 19.699 -5.689 -4.802 1.00 0.57 H new ATOM 0 HE1 MET A 92 15.907 -4.051 -6.807 1.00 0.34 H new ATOM 0 HE2 MET A 92 17.463 -3.431 -7.407 1.00 0.34 H new ATOM 0 HE3 MET A 92 17.105 -5.172 -7.496 1.00 0.34 H new ATOM 1587 N LEU A 93 22.559 -3.409 -5.064 1.00 0.49 N ATOM 1588 CA LEU A 93 23.939 -3.081 -4.688 1.00 0.55 C ATOM 1589 C LEU A 93 24.800 -2.736 -5.899 1.00 0.61 C ATOM 1590 O LEU A 93 25.499 -1.722 -5.905 1.00 0.69 O ATOM 1591 CB LEU A 93 24.593 -4.251 -3.928 1.00 0.57 C ATOM 1592 CG LEU A 93 23.904 -4.710 -2.632 1.00 0.57 C ATOM 1593 CD1 LEU A 93 23.386 -3.525 -1.834 1.00 0.68 C ATOM 1594 CD2 LEU A 93 22.782 -5.699 -2.919 1.00 0.79 C ATOM 0 H LEU A 93 22.243 -4.310 -4.707 1.00 0.49 H new ATOM 0 HA LEU A 93 23.883 -2.204 -4.043 1.00 0.55 H new ATOM 0 HB2 LEU A 93 24.649 -5.105 -4.603 1.00 0.57 H new ATOM 0 HB3 LEU A 93 25.617 -3.968 -3.686 1.00 0.57 H new ATOM 0 HG LEU A 93 24.654 -5.221 -2.029 1.00 0.57 H new ATOM 0 HD11 LEU A 93 22.904 -3.882 -0.924 1.00 0.68 H new ATOM 0 HD12 LEU A 93 24.218 -2.871 -1.572 1.00 0.68 H new ATOM 0 HD13 LEU A 93 22.664 -2.971 -2.433 1.00 0.68 H new ATOM 0 HD21 LEU A 93 22.316 -6.003 -1.982 1.00 0.79 H new ATOM 0 HD22 LEU A 93 22.036 -5.227 -3.559 1.00 0.79 H new ATOM 0 HD23 LEU A 93 23.190 -6.576 -3.423 1.00 0.79 H new ATOM 1606 N ASP A 94 24.734 -3.574 -6.927 1.00 0.61 N ATOM 1607 CA ASP A 94 25.556 -3.389 -8.120 1.00 0.69 C ATOM 1608 C ASP A 94 25.014 -2.241 -8.965 1.00 0.66 C ATOM 1609 O ASP A 94 25.658 -1.781 -9.907 1.00 0.70 O ATOM 1610 CB ASP A 94 25.588 -4.686 -8.939 1.00 0.76 C ATOM 1611 CG ASP A 94 26.542 -4.626 -10.117 1.00 1.47 C ATOM 1612 OD1 ASP A 94 27.758 -4.829 -9.910 1.00 2.26 O ATOM 1613 OD2 ASP A 94 26.081 -4.401 -11.257 1.00 1.93 O ATOM 0 H ASP A 94 24.121 -4.388 -6.960 1.00 0.61 H new ATOM 0 HA ASP A 94 26.572 -3.141 -7.813 1.00 0.69 H new ATOM 0 HB2 ASP A 94 25.876 -5.512 -8.288 1.00 0.76 H new ATOM 0 HB3 ASP A 94 24.584 -4.903 -9.304 1.00 0.76 H new ATOM 1618 N GLY A 95 23.838 -1.759 -8.593 1.00 0.61 N ATOM 1619 CA GLY A 95 23.192 -0.708 -9.350 1.00 0.61 C ATOM 1620 C GLY A 95 22.061 -1.253 -10.185 1.00 0.58 C ATOM 1621 O GLY A 95 21.488 -0.551 -11.019 1.00 0.64 O ATOM 0 H GLY A 95 23.317 -2.079 -7.776 1.00 0.61 H new ATOM 0 HA2 GLY A 95 22.811 0.053 -8.669 1.00 0.61 H new ATOM 0 HA3 GLY A 95 23.922 -0.220 -9.996 1.00 0.61 H new ATOM 1625 N THR A 96 21.730 -2.512 -9.946 1.00 0.54 N ATOM 1626 CA THR A 96 20.710 -3.199 -10.721 1.00 0.54 C ATOM 1627 C THR A 96 19.328 -2.787 -10.249 1.00 0.47 C ATOM 1628 O THR A 96 18.979 -2.997 -9.096 1.00 0.47 O ATOM 1629 CB THR A 96 20.859 -4.722 -10.568 1.00 0.62 C ATOM 1630 OG1 THR A 96 22.232 -5.091 -10.750 1.00 0.81 O ATOM 1631 CG2 THR A 96 19.991 -5.462 -11.572 1.00 0.61 C ATOM 0 H THR A 96 22.157 -3.082 -9.216 1.00 0.54 H new ATOM 0 HA THR A 96 20.835 -2.926 -11.769 1.00 0.54 H new ATOM 0 HB THR A 96 20.532 -5.000 -9.566 1.00 0.62 H new ATOM 0 HG1 THR A 96 22.326 -6.061 -10.651 1.00 0.81 H new ATOM 0 HG21 THR A 96 20.117 -6.537 -11.440 1.00 0.61 H new ATOM 0 HG22 THR A 96 18.946 -5.197 -11.414 1.00 0.61 H new ATOM 0 HG23 THR A 96 20.287 -5.184 -12.584 1.00 0.61 H new ATOM 1639 N VAL A 97 18.532 -2.221 -11.131 1.00 0.45 N ATOM 1640 CA VAL A 97 17.247 -1.699 -10.719 1.00 0.41 C ATOM 1641 C VAL A 97 16.113 -2.616 -11.169 1.00 0.38 C ATOM 1642 O VAL A 97 16.118 -3.143 -12.285 1.00 0.41 O ATOM 1643 CB VAL A 97 17.024 -0.251 -11.226 1.00 0.50 C ATOM 1644 CG1 VAL A 97 17.033 -0.185 -12.741 1.00 1.07 C ATOM 1645 CG2 VAL A 97 15.732 0.331 -10.673 1.00 1.11 C ATOM 0 H VAL A 97 18.747 -2.111 -12.122 1.00 0.45 H new ATOM 0 HA VAL A 97 17.245 -1.666 -9.630 1.00 0.41 H new ATOM 0 HB VAL A 97 17.855 0.352 -10.860 1.00 0.50 H new ATOM 0 HG11 VAL A 97 16.874 0.845 -13.061 1.00 1.07 H new ATOM 0 HG12 VAL A 97 17.995 -0.537 -13.115 1.00 1.07 H new ATOM 0 HG13 VAL A 97 16.237 -0.815 -13.137 1.00 1.07 H new ATOM 0 HG21 VAL A 97 15.602 1.347 -11.045 1.00 1.11 H new ATOM 0 HG22 VAL A 97 14.890 -0.283 -10.993 1.00 1.11 H new ATOM 0 HG23 VAL A 97 15.777 0.347 -9.584 1.00 1.11 H new ATOM 1655 N LYS A 98 15.170 -2.824 -10.270 1.00 0.35 N ATOM 1656 CA LYS A 98 13.978 -3.593 -10.573 1.00 0.35 C ATOM 1657 C LYS A 98 12.769 -2.916 -9.953 1.00 0.36 C ATOM 1658 O LYS A 98 12.904 -2.135 -9.010 1.00 0.37 O ATOM 1659 CB LYS A 98 14.083 -5.042 -10.073 1.00 0.38 C ATOM 1660 CG LYS A 98 13.918 -5.210 -8.568 1.00 0.41 C ATOM 1661 CD LYS A 98 13.607 -6.655 -8.191 1.00 0.43 C ATOM 1662 CE LYS A 98 12.172 -7.037 -8.537 1.00 0.43 C ATOM 1663 NZ LYS A 98 11.965 -7.261 -9.994 1.00 0.94 N ATOM 0 H LYS A 98 15.208 -2.467 -9.315 1.00 0.35 H new ATOM 0 HA LYS A 98 13.870 -3.631 -11.657 1.00 0.35 H new ATOM 0 HB2 LYS A 98 13.325 -5.642 -10.577 1.00 0.38 H new ATOM 0 HB3 LYS A 98 15.053 -5.443 -10.365 1.00 0.38 H new ATOM 0 HG2 LYS A 98 14.831 -4.891 -8.064 1.00 0.41 H new ATOM 0 HG3 LYS A 98 13.116 -4.561 -8.215 1.00 0.41 H new ATOM 0 HD2 LYS A 98 14.295 -7.322 -8.710 1.00 0.43 H new ATOM 0 HD3 LYS A 98 13.772 -6.795 -7.123 1.00 0.43 H new ATOM 0 HE2 LYS A 98 11.902 -7.943 -7.994 1.00 0.43 H new ATOM 0 HE3 LYS A 98 11.500 -6.249 -8.197 1.00 0.43 H new ATOM 0 HZ1 LYS A 98 11.338 -8.079 -10.134 1.00 0.94 H new ATOM 0 HZ2 LYS A 98 11.531 -6.416 -10.417 1.00 0.94 H new ATOM 0 HZ3 LYS A 98 12.881 -7.445 -10.450 1.00 0.94 H new ATOM 1677 N THR A 99 11.598 -3.200 -10.485 1.00 0.40 N ATOM 1678 CA THR A 99 10.369 -2.691 -9.920 1.00 0.44 C ATOM 1679 C THR A 99 9.533 -3.851 -9.411 1.00 0.47 C ATOM 1680 O THR A 99 9.132 -4.723 -10.183 1.00 0.58 O ATOM 1681 CB THR A 99 9.557 -1.897 -10.956 1.00 0.48 C ATOM 1682 OG1 THR A 99 10.394 -0.920 -11.591 1.00 0.50 O ATOM 1683 CG2 THR A 99 8.376 -1.213 -10.290 1.00 0.57 C ATOM 0 H THR A 99 11.473 -3.784 -11.312 1.00 0.40 H new ATOM 0 HA THR A 99 10.625 -2.018 -9.102 1.00 0.44 H new ATOM 0 HB THR A 99 9.181 -2.589 -11.710 1.00 0.48 H new ATOM 0 HG1 THR A 99 9.870 -0.420 -12.251 1.00 0.50 H new ATOM 0 HG21 THR A 99 7.811 -0.655 -11.036 1.00 0.57 H new ATOM 0 HG22 THR A 99 7.731 -1.964 -9.833 1.00 0.57 H new ATOM 0 HG23 THR A 99 8.737 -0.529 -9.522 1.00 0.57 H new ATOM 1691 N ILE A 100 9.286 -3.873 -8.117 1.00 0.42 N ATOM 1692 CA ILE A 100 8.567 -4.970 -7.506 1.00 0.44 C ATOM 1693 C ILE A 100 7.376 -4.419 -6.731 1.00 0.45 C ATOM 1694 O ILE A 100 7.429 -3.298 -6.215 1.00 0.45 O ATOM 1695 CB ILE A 100 9.513 -5.801 -6.595 1.00 0.48 C ATOM 1696 CG1 ILE A 100 8.874 -7.138 -6.179 1.00 0.61 C ATOM 1697 CG2 ILE A 100 9.944 -4.999 -5.372 1.00 0.48 C ATOM 1698 CD1 ILE A 100 8.071 -7.092 -4.896 1.00 0.50 C ATOM 0 H ILE A 100 9.574 -3.141 -7.467 1.00 0.42 H new ATOM 0 HA ILE A 100 8.194 -5.642 -8.279 1.00 0.44 H new ATOM 0 HB ILE A 100 10.404 -6.032 -7.179 1.00 0.48 H new ATOM 0 HG12 ILE A 100 8.224 -7.479 -6.985 1.00 0.61 H new ATOM 0 HG13 ILE A 100 9.663 -7.882 -6.070 1.00 0.61 H new ATOM 0 HG21 ILE A 100 10.605 -5.606 -4.753 1.00 0.48 H new ATOM 0 HG22 ILE A 100 10.471 -4.101 -5.693 1.00 0.48 H new ATOM 0 HG23 ILE A 100 9.064 -4.716 -4.794 1.00 0.48 H new ATOM 0 HD11 ILE A 100 7.662 -8.080 -4.687 1.00 0.50 H new ATOM 0 HD12 ILE A 100 8.717 -6.786 -4.073 1.00 0.50 H new ATOM 0 HD13 ILE A 100 7.256 -6.377 -5.003 1.00 0.50 H new ATOM 1710 N MET A 101 6.294 -5.177 -6.686 1.00 0.47 N ATOM 1711 CA MET A 101 5.099 -4.722 -6.003 1.00 0.50 C ATOM 1712 C MET A 101 5.121 -5.165 -4.551 1.00 0.50 C ATOM 1713 O MET A 101 5.043 -6.352 -4.240 1.00 0.52 O ATOM 1714 CB MET A 101 3.854 -5.292 -6.689 1.00 0.56 C ATOM 1715 CG MET A 101 3.711 -4.889 -8.146 1.00 0.64 C ATOM 1716 SD MET A 101 3.402 -3.127 -8.351 1.00 0.98 S ATOM 1717 CE MET A 101 1.889 -2.945 -7.413 1.00 0.59 C ATOM 0 H MET A 101 6.219 -6.102 -7.110 1.00 0.47 H new ATOM 0 HA MET A 101 5.070 -3.633 -6.045 1.00 0.50 H new ATOM 0 HB2 MET A 101 3.883 -6.380 -6.625 1.00 0.56 H new ATOM 0 HB3 MET A 101 2.969 -4.964 -6.144 1.00 0.56 H new ATOM 0 HG2 MET A 101 4.619 -5.160 -8.685 1.00 0.64 H new ATOM 0 HG3 MET A 101 2.893 -5.452 -8.596 1.00 0.64 H new ATOM 0 HE1 MET A 101 1.254 -2.198 -7.889 1.00 0.59 H new ATOM 0 HE2 MET A 101 1.364 -3.900 -7.380 1.00 0.59 H new ATOM 0 HE3 MET A 101 2.126 -2.626 -6.398 1.00 0.59 H new ATOM 1727 N VAL A 102 5.244 -4.187 -3.671 1.00 0.50 N ATOM 1728 CA VAL A 102 5.256 -4.441 -2.240 1.00 0.53 C ATOM 1729 C VAL A 102 4.107 -3.711 -1.568 1.00 0.49 C ATOM 1730 O VAL A 102 3.809 -2.571 -1.918 1.00 0.50 O ATOM 1731 CB VAL A 102 6.577 -3.989 -1.588 1.00 0.61 C ATOM 1732 CG1 VAL A 102 6.758 -4.643 -0.229 1.00 0.73 C ATOM 1733 CG2 VAL A 102 7.760 -4.283 -2.497 1.00 0.90 C ATOM 0 H VAL A 102 5.338 -3.203 -3.924 1.00 0.50 H new ATOM 0 HA VAL A 102 5.151 -5.518 -2.105 1.00 0.53 H new ATOM 0 HB VAL A 102 6.530 -2.910 -1.440 1.00 0.61 H new ATOM 0 HG11 VAL A 102 7.697 -4.310 0.213 1.00 0.73 H new ATOM 0 HG12 VAL A 102 5.930 -4.363 0.423 1.00 0.73 H new ATOM 0 HG13 VAL A 102 6.777 -5.727 -0.346 1.00 0.73 H new ATOM 0 HG21 VAL A 102 8.680 -3.955 -2.014 1.00 0.90 H new ATOM 0 HG22 VAL A 102 7.814 -5.355 -2.689 1.00 0.90 H new ATOM 0 HG23 VAL A 102 7.635 -3.751 -3.440 1.00 0.90 H new ATOM 1743 N ASP A 103 3.456 -4.385 -0.627 1.00 0.48 N ATOM 1744 CA ASP A 103 2.352 -3.801 0.129 1.00 0.47 C ATOM 1745 C ASP A 103 2.768 -2.483 0.768 1.00 0.46 C ATOM 1746 O ASP A 103 3.865 -2.369 1.309 1.00 0.51 O ATOM 1747 CB ASP A 103 1.877 -4.761 1.219 1.00 0.51 C ATOM 1748 CG ASP A 103 1.273 -6.037 0.679 1.00 1.22 C ATOM 1749 OD1 ASP A 103 1.988 -6.794 -0.007 1.00 1.96 O ATOM 1750 OD2 ASP A 103 0.091 -6.302 0.970 1.00 1.56 O ATOM 0 H ASP A 103 3.676 -5.346 -0.367 1.00 0.48 H new ATOM 0 HA ASP A 103 1.536 -3.616 -0.570 1.00 0.47 H new ATOM 0 HB2 ASP A 103 2.720 -5.012 1.863 1.00 0.51 H new ATOM 0 HB3 ASP A 103 1.139 -4.255 1.842 1.00 0.51 H new ATOM 1755 N ASP A 104 1.897 -1.488 0.688 1.00 0.46 N ATOM 1756 CA ASP A 104 2.132 -0.209 1.350 1.00 0.47 C ATOM 1757 C ASP A 104 1.698 -0.305 2.806 1.00 0.46 C ATOM 1758 O ASP A 104 2.137 0.464 3.663 1.00 0.54 O ATOM 1759 CB ASP A 104 1.358 0.911 0.642 1.00 0.54 C ATOM 1760 CG ASP A 104 1.546 2.269 1.299 1.00 0.66 C ATOM 1761 OD1 ASP A 104 2.556 2.943 0.995 1.00 1.08 O ATOM 1762 OD2 ASP A 104 0.676 2.666 2.111 1.00 0.64 O ATOM 0 H ASP A 104 1.019 -1.540 0.171 1.00 0.46 H new ATOM 0 HA ASP A 104 3.195 0.026 1.304 1.00 0.47 H new ATOM 0 HB2 ASP A 104 1.682 0.968 -0.397 1.00 0.54 H new ATOM 0 HB3 ASP A 104 0.297 0.662 0.632 1.00 0.54 H new ATOM 1767 N SER A 105 0.859 -1.296 3.083 1.00 0.43 N ATOM 1768 CA SER A 105 0.284 -1.485 4.411 1.00 0.49 C ATOM 1769 C SER A 105 1.277 -2.162 5.364 1.00 0.57 C ATOM 1770 O SER A 105 0.906 -3.058 6.128 1.00 0.96 O ATOM 1771 CB SER A 105 -0.970 -2.346 4.281 1.00 0.52 C ATOM 1772 OG SER A 105 -1.635 -2.083 3.058 1.00 1.27 O ATOM 0 H SER A 105 0.559 -1.989 2.397 1.00 0.43 H new ATOM 0 HA SER A 105 0.039 -0.508 4.828 1.00 0.49 H new ATOM 0 HB2 SER A 105 -0.700 -3.401 4.334 1.00 0.52 H new ATOM 0 HB3 SER A 105 -1.642 -2.147 5.116 1.00 0.52 H new ATOM 0 HG SER A 105 -2.159 -1.259 3.141 1.00 1.27 H new ATOM 1778 N LYS A 106 2.525 -1.721 5.339 1.00 0.45 N ATOM 1779 CA LYS A 106 3.573 -2.338 6.138 1.00 0.49 C ATOM 1780 C LYS A 106 4.682 -1.334 6.434 1.00 0.52 C ATOM 1781 O LYS A 106 4.591 -0.164 6.051 1.00 0.65 O ATOM 1782 CB LYS A 106 4.166 -3.534 5.389 1.00 0.58 C ATOM 1783 CG LYS A 106 4.804 -3.138 4.069 1.00 0.69 C ATOM 1784 CD LYS A 106 5.636 -4.253 3.457 1.00 0.58 C ATOM 1785 CE LYS A 106 4.794 -5.276 2.703 1.00 1.00 C ATOM 1786 NZ LYS A 106 4.004 -6.164 3.597 1.00 2.02 N ATOM 0 H LYS A 106 2.838 -0.934 4.771 1.00 0.45 H new ATOM 0 HA LYS A 106 3.134 -2.673 7.078 1.00 0.49 H new ATOM 0 HB2 LYS A 106 4.913 -4.018 6.018 1.00 0.58 H new ATOM 0 HB3 LYS A 106 3.381 -4.267 5.204 1.00 0.58 H new ATOM 0 HG2 LYS A 106 4.023 -2.847 3.367 1.00 0.69 H new ATOM 0 HG3 LYS A 106 5.436 -2.263 4.224 1.00 0.69 H new ATOM 0 HD2 LYS A 106 6.369 -3.821 2.776 1.00 0.58 H new ATOM 0 HD3 LYS A 106 6.193 -4.759 4.246 1.00 0.58 H new ATOM 0 HE2 LYS A 106 4.115 -4.752 2.031 1.00 1.00 H new ATOM 0 HE3 LYS A 106 5.448 -5.887 2.082 1.00 1.00 H new ATOM 0 HZ1 LYS A 106 3.775 -7.046 3.096 1.00 2.02 H new ATOM 0 HZ2 LYS A 106 4.560 -6.383 4.448 1.00 2.02 H new ATOM 0 HZ3 LYS A 106 3.123 -5.684 3.873 1.00 2.02 H new ATOM 1800 N THR A 107 5.718 -1.795 7.119 1.00 0.53 N ATOM 1801 CA THR A 107 6.912 -1.000 7.333 1.00 0.57 C ATOM 1802 C THR A 107 7.962 -1.336 6.276 1.00 0.52 C ATOM 1803 O THR A 107 7.700 -2.100 5.344 1.00 0.54 O ATOM 1804 CB THR A 107 7.503 -1.242 8.734 1.00 0.69 C ATOM 1805 OG1 THR A 107 7.767 -2.639 8.917 1.00 0.76 O ATOM 1806 CG2 THR A 107 6.556 -0.746 9.815 1.00 0.74 C ATOM 0 H THR A 107 5.753 -2.724 7.538 1.00 0.53 H new ATOM 0 HA THR A 107 6.631 0.050 7.253 1.00 0.57 H new ATOM 0 HB THR A 107 8.436 -0.685 8.815 1.00 0.69 H new ATOM 0 HG1 THR A 107 8.144 -2.786 9.809 1.00 0.76 H new ATOM 0 HG21 THR A 107 6.996 -0.928 10.796 1.00 0.74 H new ATOM 0 HG22 THR A 107 6.385 0.323 9.687 1.00 0.74 H new ATOM 0 HG23 THR A 107 5.607 -1.277 9.739 1.00 0.74 H new ATOM 1814 N VAL A 108 9.153 -0.776 6.426 1.00 0.49 N ATOM 1815 CA VAL A 108 10.222 -0.999 5.463 1.00 0.47 C ATOM 1816 C VAL A 108 10.839 -2.378 5.656 1.00 0.42 C ATOM 1817 O VAL A 108 11.222 -3.042 4.699 1.00 0.44 O ATOM 1818 CB VAL A 108 11.330 0.054 5.600 1.00 0.55 C ATOM 1819 CG1 VAL A 108 12.203 0.075 4.356 1.00 0.61 C ATOM 1820 CG2 VAL A 108 10.738 1.424 5.891 1.00 0.60 C ATOM 0 H VAL A 108 9.404 -0.165 7.203 1.00 0.49 H new ATOM 0 HA VAL A 108 9.778 -0.924 4.471 1.00 0.47 H new ATOM 0 HB VAL A 108 11.963 -0.216 6.445 1.00 0.55 H new ATOM 0 HG11 VAL A 108 12.983 0.828 4.471 1.00 0.61 H new ATOM 0 HG12 VAL A 108 12.661 -0.904 4.217 1.00 0.61 H new ATOM 0 HG13 VAL A 108 11.592 0.317 3.487 1.00 0.61 H new ATOM 0 HG21 VAL A 108 11.541 2.155 5.984 1.00 0.60 H new ATOM 0 HG22 VAL A 108 10.076 1.715 5.076 1.00 0.60 H new ATOM 0 HG23 VAL A 108 10.172 1.386 6.822 1.00 0.60 H new ATOM 1830 N THR A 109 10.968 -2.774 6.912 1.00 0.43 N ATOM 1831 CA THR A 109 11.483 -4.092 7.275 1.00 0.43 C ATOM 1832 C THR A 109 10.749 -5.212 6.537 1.00 0.44 C ATOM 1833 O THR A 109 11.375 -6.056 5.889 1.00 0.45 O ATOM 1834 CB THR A 109 11.345 -4.308 8.788 1.00 0.51 C ATOM 1835 OG1 THR A 109 11.673 -3.093 9.467 1.00 0.56 O ATOM 1836 CG2 THR A 109 12.260 -5.423 9.270 1.00 0.56 C ATOM 0 H THR A 109 10.719 -2.193 7.712 1.00 0.43 H new ATOM 0 HA THR A 109 12.533 -4.125 6.985 1.00 0.43 H new ATOM 0 HB THR A 109 10.316 -4.595 9.005 1.00 0.51 H new ATOM 0 HG1 THR A 109 11.585 -3.225 10.434 1.00 0.56 H new ATOM 0 HG21 THR A 109 12.140 -5.553 10.346 1.00 0.56 H new ATOM 0 HG22 THR A 109 12.001 -6.352 8.761 1.00 0.56 H new ATOM 0 HG23 THR A 109 13.296 -5.165 9.049 1.00 0.56 H new ATOM 1844 N ASP A 110 9.423 -5.196 6.615 1.00 0.47 N ATOM 1845 CA ASP A 110 8.602 -6.208 5.961 1.00 0.51 C ATOM 1846 C ASP A 110 8.729 -6.076 4.445 1.00 0.49 C ATOM 1847 O ASP A 110 8.762 -7.070 3.715 1.00 0.54 O ATOM 1848 CB ASP A 110 7.140 -6.050 6.389 1.00 0.57 C ATOM 1849 CG ASP A 110 6.269 -7.227 5.993 1.00 0.65 C ATOM 1850 OD1 ASP A 110 5.958 -7.370 4.796 1.00 0.70 O ATOM 1851 OD2 ASP A 110 5.865 -7.998 6.888 1.00 0.76 O ATOM 0 H ASP A 110 8.892 -4.491 7.126 1.00 0.47 H new ATOM 0 HA ASP A 110 8.948 -7.198 6.258 1.00 0.51 H new ATOM 0 HB2 ASP A 110 7.097 -5.923 7.471 1.00 0.57 H new ATOM 0 HB3 ASP A 110 6.735 -5.141 5.945 1.00 0.57 H new ATOM 1856 N MET A 111 8.825 -4.832 3.985 1.00 0.46 N ATOM 1857 CA MET A 111 9.024 -4.538 2.569 1.00 0.46 C ATOM 1858 C MET A 111 10.292 -5.201 2.050 1.00 0.40 C ATOM 1859 O MET A 111 10.276 -5.888 1.030 1.00 0.43 O ATOM 1860 CB MET A 111 9.132 -3.029 2.344 1.00 0.51 C ATOM 1861 CG MET A 111 9.496 -2.655 0.915 1.00 0.50 C ATOM 1862 SD MET A 111 10.590 -1.226 0.824 1.00 0.75 S ATOM 1863 CE MET A 111 9.605 0.000 1.667 1.00 0.67 C ATOM 0 H MET A 111 8.768 -4.004 4.578 1.00 0.46 H new ATOM 0 HA MET A 111 8.163 -4.930 2.028 1.00 0.46 H new ATOM 0 HB2 MET A 111 8.182 -2.562 2.603 1.00 0.51 H new ATOM 0 HB3 MET A 111 9.883 -2.621 3.021 1.00 0.51 H new ATOM 0 HG2 MET A 111 9.977 -3.506 0.433 1.00 0.50 H new ATOM 0 HG3 MET A 111 8.584 -2.445 0.356 1.00 0.50 H new ATOM 0 HE1 MET A 111 10.209 0.888 1.852 1.00 0.67 H new ATOM 0 HE2 MET A 111 8.748 0.266 1.048 1.00 0.67 H new ATOM 0 HE3 MET A 111 9.255 -0.405 2.617 1.00 0.67 H new ATOM 1873 N LEU A 112 11.387 -4.993 2.769 1.00 0.36 N ATOM 1874 CA LEU A 112 12.689 -5.481 2.344 1.00 0.34 C ATOM 1875 C LEU A 112 12.713 -7.002 2.322 1.00 0.37 C ATOM 1876 O LEU A 112 13.386 -7.606 1.490 1.00 0.42 O ATOM 1877 CB LEU A 112 13.786 -4.954 3.263 1.00 0.35 C ATOM 1878 CG LEU A 112 15.071 -4.562 2.545 1.00 0.38 C ATOM 1879 CD1 LEU A 112 14.813 -3.397 1.607 1.00 0.39 C ATOM 1880 CD2 LEU A 112 16.154 -4.210 3.542 1.00 0.46 C ATOM 0 H LEU A 112 11.397 -4.486 3.654 1.00 0.36 H new ATOM 0 HA LEU A 112 12.873 -5.115 1.334 1.00 0.34 H new ATOM 0 HB2 LEU A 112 13.406 -4.086 3.803 1.00 0.35 H new ATOM 0 HB3 LEU A 112 14.017 -5.716 4.007 1.00 0.35 H new ATOM 0 HG LEU A 112 15.413 -5.414 1.958 1.00 0.38 H new ATOM 0 HD11 LEU A 112 15.739 -3.126 1.100 1.00 0.39 H new ATOM 0 HD12 LEU A 112 14.065 -3.684 0.868 1.00 0.39 H new ATOM 0 HD13 LEU A 112 14.449 -2.543 2.179 1.00 0.39 H new ATOM 0 HD21 LEU A 112 17.063 -3.933 3.009 1.00 0.46 H new ATOM 0 HD22 LEU A 112 15.824 -3.372 4.157 1.00 0.46 H new ATOM 0 HD23 LEU A 112 16.355 -5.071 4.180 1.00 0.46 H new ATOM 1892 N MET A 113 11.966 -7.613 3.237 1.00 0.39 N ATOM 1893 CA MET A 113 11.800 -9.063 3.251 1.00 0.46 C ATOM 1894 C MET A 113 11.273 -9.529 1.902 1.00 0.49 C ATOM 1895 O MET A 113 11.702 -10.547 1.360 1.00 0.56 O ATOM 1896 CB MET A 113 10.818 -9.477 4.350 1.00 0.55 C ATOM 1897 CG MET A 113 10.607 -10.982 4.440 1.00 0.61 C ATOM 1898 SD MET A 113 9.270 -11.443 5.558 1.00 0.98 S ATOM 1899 CE MET A 113 9.891 -10.829 7.119 1.00 1.34 C ATOM 0 H MET A 113 11.465 -7.125 3.980 1.00 0.39 H new ATOM 0 HA MET A 113 12.768 -9.524 3.448 1.00 0.46 H new ATOM 0 HB2 MET A 113 11.184 -9.111 5.310 1.00 0.55 H new ATOM 0 HB3 MET A 113 9.858 -8.994 4.169 1.00 0.55 H new ATOM 0 HG2 MET A 113 10.392 -11.373 3.445 1.00 0.61 H new ATOM 0 HG3 MET A 113 11.531 -11.453 4.775 1.00 0.61 H new ATOM 0 HE1 MET A 113 9.194 -11.089 7.916 1.00 1.34 H new ATOM 0 HE2 MET A 113 10.863 -11.278 7.326 1.00 1.34 H new ATOM 0 HE3 MET A 113 9.995 -9.745 7.068 1.00 1.34 H new ATOM 1909 N THR A 114 10.360 -8.742 1.366 1.00 0.47 N ATOM 1910 CA THR A 114 9.746 -9.026 0.088 1.00 0.50 C ATOM 1911 C THR A 114 10.698 -8.716 -1.073 1.00 0.46 C ATOM 1912 O THR A 114 10.752 -9.461 -2.050 1.00 0.49 O ATOM 1913 CB THR A 114 8.445 -8.212 -0.059 1.00 0.54 C ATOM 1914 OG1 THR A 114 7.498 -8.623 0.939 1.00 0.62 O ATOM 1915 CG2 THR A 114 7.834 -8.373 -1.445 1.00 0.60 C ATOM 0 H THR A 114 10.024 -7.886 1.808 1.00 0.47 H new ATOM 0 HA THR A 114 9.514 -10.090 0.052 1.00 0.50 H new ATOM 0 HB THR A 114 8.693 -7.159 0.078 1.00 0.54 H new ATOM 0 HG1 THR A 114 6.674 -8.102 0.842 1.00 0.62 H new ATOM 0 HG21 THR A 114 6.919 -7.784 -1.510 1.00 0.60 H new ATOM 0 HG22 THR A 114 8.542 -8.026 -2.197 1.00 0.60 H new ATOM 0 HG23 THR A 114 7.603 -9.424 -1.621 1.00 0.60 H new ATOM 1923 N ILE A 115 11.473 -7.639 -0.956 1.00 0.43 N ATOM 1924 CA ILE A 115 12.331 -7.191 -2.053 1.00 0.41 C ATOM 1925 C ILE A 115 13.577 -8.063 -2.193 1.00 0.42 C ATOM 1926 O ILE A 115 13.903 -8.515 -3.292 1.00 0.43 O ATOM 1927 CB ILE A 115 12.765 -5.719 -1.876 1.00 0.40 C ATOM 1928 CG1 ILE A 115 11.539 -4.807 -1.833 1.00 0.42 C ATOM 1929 CG2 ILE A 115 13.704 -5.297 -3.001 1.00 0.42 C ATOM 1930 CD1 ILE A 115 11.877 -3.343 -1.652 1.00 0.44 C ATOM 0 H ILE A 115 11.525 -7.062 -0.116 1.00 0.43 H new ATOM 0 HA ILE A 115 11.732 -7.280 -2.960 1.00 0.41 H new ATOM 0 HB ILE A 115 13.301 -5.628 -0.931 1.00 0.40 H new ATOM 0 HG12 ILE A 115 10.974 -4.929 -2.757 1.00 0.42 H new ATOM 0 HG13 ILE A 115 10.889 -5.124 -1.017 1.00 0.42 H new ATOM 0 HG21 ILE A 115 13.998 -4.257 -2.858 1.00 0.42 H new ATOM 0 HG22 ILE A 115 14.591 -5.930 -2.991 1.00 0.42 H new ATOM 0 HG23 ILE A 115 13.194 -5.402 -3.959 1.00 0.42 H new ATOM 0 HD11 ILE A 115 10.958 -2.757 -1.631 1.00 0.44 H new ATOM 0 HD12 ILE A 115 12.416 -3.207 -0.714 1.00 0.44 H new ATOM 0 HD13 ILE A 115 12.501 -3.009 -2.481 1.00 0.44 H new ATOM 1942 N CYS A 116 14.268 -8.307 -1.084 1.00 0.43 N ATOM 1943 CA CYS A 116 15.502 -9.084 -1.118 1.00 0.47 C ATOM 1944 C CYS A 116 15.230 -10.509 -1.597 1.00 0.50 C ATOM 1945 O CYS A 116 16.083 -11.144 -2.222 1.00 0.53 O ATOM 1946 CB CYS A 116 16.168 -9.097 0.262 1.00 0.51 C ATOM 1947 SG CYS A 116 16.504 -7.452 0.931 1.00 1.56 S ATOM 0 H CYS A 116 13.997 -7.980 -0.156 1.00 0.43 H new ATOM 0 HA CYS A 116 16.184 -8.611 -1.824 1.00 0.47 H new ATOM 0 HB2 CYS A 116 15.527 -9.637 0.958 1.00 0.51 H new ATOM 0 HB3 CYS A 116 17.105 -9.650 0.197 1.00 0.51 H new ATOM 0 HG CYS A 116 17.759 -7.365 1.260 1.00 1.56 H new ATOM 1953 N ALA A 117 14.022 -10.994 -1.330 1.00 0.50 N ATOM 1954 CA ALA A 117 13.613 -12.323 -1.762 1.00 0.54 C ATOM 1955 C ALA A 117 13.467 -12.387 -3.282 1.00 0.54 C ATOM 1956 O ALA A 117 13.597 -13.455 -3.881 1.00 0.58 O ATOM 1957 CB ALA A 117 12.312 -12.725 -1.085 1.00 0.57 C ATOM 0 H ALA A 117 13.307 -10.482 -0.814 1.00 0.50 H new ATOM 0 HA ALA A 117 14.391 -13.027 -1.469 1.00 0.54 H new ATOM 0 HB1 ALA A 117 12.021 -13.721 -1.419 1.00 0.57 H new ATOM 0 HB2 ALA A 117 12.451 -12.731 -0.004 1.00 0.57 H new ATOM 0 HB3 ALA A 117 11.530 -12.012 -1.346 1.00 0.57 H new ATOM 1963 N ARG A 118 13.204 -11.238 -3.906 1.00 0.50 N ATOM 1964 CA ARG A 118 13.037 -11.183 -5.356 1.00 0.51 C ATOM 1965 C ARG A 118 14.371 -11.399 -6.049 1.00 0.52 C ATOM 1966 O ARG A 118 14.443 -12.047 -7.089 1.00 0.55 O ATOM 1967 CB ARG A 118 12.438 -9.842 -5.805 1.00 0.49 C ATOM 1968 CG ARG A 118 11.159 -9.469 -5.076 1.00 0.49 C ATOM 1969 CD ARG A 118 10.085 -10.535 -5.226 1.00 0.58 C ATOM 1970 NE ARG A 118 9.752 -10.793 -6.625 1.00 0.84 N ATOM 1971 CZ ARG A 118 8.523 -10.707 -7.129 1.00 1.16 C ATOM 1972 NH1 ARG A 118 7.509 -10.346 -6.353 1.00 1.23 N ATOM 1973 NH2 ARG A 118 8.312 -10.986 -8.408 1.00 1.75 N ATOM 0 H ARG A 118 13.103 -10.340 -3.433 1.00 0.50 H new ATOM 0 HA ARG A 118 12.346 -11.978 -5.636 1.00 0.51 H new ATOM 0 HB2 ARG A 118 13.176 -9.055 -5.651 1.00 0.49 H new ATOM 0 HB3 ARG A 118 12.236 -9.885 -6.875 1.00 0.49 H new ATOM 0 HG2 ARG A 118 11.375 -9.319 -4.018 1.00 0.49 H new ATOM 0 HG3 ARG A 118 10.785 -8.521 -5.462 1.00 0.49 H new ATOM 0 HD2 ARG A 118 10.426 -11.459 -4.759 1.00 0.58 H new ATOM 0 HD3 ARG A 118 9.188 -10.221 -4.693 1.00 0.58 H new ATOM 0 HE ARG A 118 10.509 -11.056 -7.256 1.00 0.84 H new ATOM 0 HH11 ARG A 118 7.671 -10.134 -5.368 1.00 1.23 H new ATOM 0 HH12 ARG A 118 6.568 -10.281 -6.741 1.00 1.23 H new ATOM 0 HH21 ARG A 118 9.091 -11.266 -9.004 1.00 1.75 H new ATOM 0 HH22 ARG A 118 7.371 -10.921 -8.796 1.00 1.75 H new ATOM 1987 N ILE A 119 15.430 -10.854 -5.465 1.00 0.52 N ATOM 1988 CA ILE A 119 16.761 -10.981 -6.039 1.00 0.54 C ATOM 1989 C ILE A 119 17.332 -12.356 -5.730 1.00 0.58 C ATOM 1990 O ILE A 119 18.101 -12.922 -6.511 1.00 0.66 O ATOM 1991 CB ILE A 119 17.727 -9.914 -5.480 1.00 0.51 C ATOM 1992 CG1 ILE A 119 16.981 -8.620 -5.140 1.00 0.49 C ATOM 1993 CG2 ILE A 119 18.831 -9.634 -6.488 1.00 0.56 C ATOM 1994 CD1 ILE A 119 16.373 -7.920 -6.337 1.00 0.69 C ATOM 0 H ILE A 119 15.393 -10.321 -4.596 1.00 0.52 H new ATOM 0 HA ILE A 119 16.664 -10.840 -7.115 1.00 0.54 H new ATOM 0 HB ILE A 119 18.169 -10.300 -4.562 1.00 0.51 H new ATOM 0 HG12 ILE A 119 16.190 -8.847 -4.426 1.00 0.49 H new ATOM 0 HG13 ILE A 119 17.670 -7.936 -4.645 1.00 0.49 H new ATOM 0 HG21 ILE A 119 19.508 -8.880 -6.086 1.00 0.56 H new ATOM 0 HG22 ILE A 119 19.385 -10.552 -6.685 1.00 0.56 H new ATOM 0 HG23 ILE A 119 18.392 -9.269 -7.417 1.00 0.56 H new ATOM 0 HD11 ILE A 119 15.864 -7.014 -6.009 1.00 0.69 H new ATOM 0 HD12 ILE A 119 17.160 -7.658 -7.044 1.00 0.69 H new ATOM 0 HD13 ILE A 119 15.657 -8.583 -6.821 1.00 0.69 H new ATOM 2006 N GLY A 120 16.951 -12.885 -4.578 1.00 0.57 N ATOM 2007 CA GLY A 120 17.445 -14.175 -4.159 1.00 0.62 C ATOM 2008 C GLY A 120 18.350 -14.072 -2.952 1.00 0.64 C ATOM 2009 O GLY A 120 19.288 -14.850 -2.802 1.00 0.70 O ATOM 0 H GLY A 120 16.306 -12.440 -3.925 1.00 0.57 H new ATOM 0 HA2 GLY A 120 16.603 -14.827 -3.926 1.00 0.62 H new ATOM 0 HA3 GLY A 120 17.989 -14.639 -4.981 1.00 0.62 H new ATOM 2013 N ILE A 121 18.077 -13.099 -2.096 1.00 0.66 N ATOM 2014 CA ILE A 121 18.854 -12.914 -0.884 1.00 0.71 C ATOM 2015 C ILE A 121 18.154 -13.613 0.279 1.00 0.82 C ATOM 2016 O ILE A 121 16.947 -13.447 0.474 1.00 1.54 O ATOM 2017 CB ILE A 121 19.042 -11.415 -0.559 1.00 0.63 C ATOM 2018 CG1 ILE A 121 19.486 -10.649 -1.812 1.00 0.59 C ATOM 2019 CG2 ILE A 121 20.065 -11.244 0.554 1.00 0.67 C ATOM 2020 CD1 ILE A 121 19.515 -9.142 -1.638 1.00 0.56 C ATOM 0 H ILE A 121 17.321 -12.425 -2.220 1.00 0.66 H new ATOM 0 HA ILE A 121 19.841 -13.350 -1.039 1.00 0.71 H new ATOM 0 HB ILE A 121 18.088 -11.008 -0.224 1.00 0.63 H new ATOM 0 HG12 ILE A 121 20.480 -10.990 -2.100 1.00 0.59 H new ATOM 0 HG13 ILE A 121 18.814 -10.896 -2.634 1.00 0.59 H new ATOM 0 HG21 ILE A 121 20.189 -10.184 0.774 1.00 0.67 H new ATOM 0 HG22 ILE A 121 19.720 -11.763 1.448 1.00 0.67 H new ATOM 0 HG23 ILE A 121 21.020 -11.663 0.238 1.00 0.67 H new ATOM 0 HD11 ILE A 121 19.839 -8.675 -2.568 1.00 0.56 H new ATOM 0 HD12 ILE A 121 18.517 -8.786 -1.381 1.00 0.56 H new ATOM 0 HD13 ILE A 121 20.210 -8.881 -0.840 1.00 0.56 H new ATOM 2032 N THR A 122 18.907 -14.404 1.029 1.00 0.96 N ATOM 2033 CA THR A 122 18.347 -15.208 2.106 1.00 1.00 C ATOM 2034 C THR A 122 17.840 -14.337 3.258 1.00 0.90 C ATOM 2035 O THR A 122 16.695 -14.468 3.695 1.00 1.04 O ATOM 2036 CB THR A 122 19.394 -16.206 2.637 1.00 1.18 C ATOM 2037 OG1 THR A 122 19.973 -16.927 1.542 1.00 1.55 O ATOM 2038 CG2 THR A 122 18.766 -17.186 3.614 1.00 1.65 C ATOM 0 H THR A 122 19.915 -14.507 0.910 1.00 0.96 H new ATOM 0 HA THR A 122 17.500 -15.755 1.693 1.00 1.00 H new ATOM 0 HB THR A 122 20.168 -15.644 3.160 1.00 1.18 H new ATOM 0 HG1 THR A 122 20.640 -17.559 1.883 1.00 1.55 H new ATOM 0 HG21 THR A 122 19.527 -17.879 3.974 1.00 1.65 H new ATOM 0 HG22 THR A 122 18.345 -16.639 4.458 1.00 1.65 H new ATOM 0 HG23 THR A 122 17.975 -17.744 3.112 1.00 1.65 H new ATOM 2046 N ASN A 123 18.692 -13.449 3.741 1.00 0.91 N ATOM 2047 CA ASN A 123 18.344 -12.568 4.848 1.00 0.87 C ATOM 2048 C ASN A 123 18.265 -11.121 4.366 1.00 0.77 C ATOM 2049 O ASN A 123 18.894 -10.761 3.377 1.00 1.05 O ATOM 2050 CB ASN A 123 19.336 -12.739 6.014 1.00 1.10 C ATOM 2051 CG ASN A 123 20.803 -12.689 5.610 1.00 1.31 C ATOM 2052 OD1 ASN A 123 21.173 -12.998 4.475 1.00 2.13 O ATOM 2053 ND2 ASN A 123 21.659 -12.344 6.556 1.00 1.50 N ATOM 0 H ASN A 123 19.638 -13.317 3.382 1.00 0.91 H new ATOM 0 HA ASN A 123 17.359 -12.843 5.225 1.00 0.87 H new ATOM 0 HB2 ASN A 123 19.149 -11.958 6.751 1.00 1.10 H new ATOM 0 HB3 ASN A 123 19.140 -13.693 6.504 1.00 1.10 H new ATOM 0 HD21 ASN A 123 22.659 -12.328 6.357 1.00 1.50 H new ATOM 0 HD22 ASN A 123 21.319 -12.094 7.485 1.00 1.50 H new ATOM 2060 N HIS A 124 17.490 -10.291 5.060 1.00 0.61 N ATOM 2061 CA HIS A 124 17.086 -9.002 4.497 1.00 0.59 C ATOM 2062 C HIS A 124 17.351 -7.817 5.423 1.00 0.57 C ATOM 2063 O HIS A 124 17.373 -6.677 4.967 1.00 0.66 O ATOM 2064 CB HIS A 124 15.600 -9.028 4.123 1.00 0.63 C ATOM 2065 CG HIS A 124 14.672 -9.228 5.287 1.00 0.58 C ATOM 2066 ND1 HIS A 124 14.281 -10.360 5.918 1.00 0.55 N flip ATOM 2067 CD2 HIS A 124 14.006 -8.195 5.911 1.00 0.66 C flip ATOM 2068 CE1 HIS A 124 13.391 -9.995 6.896 1.00 0.57 C flip ATOM 2069 NE2 HIS A 124 13.242 -8.684 6.868 1.00 0.66 N flip ATOM 0 H HIS A 124 17.134 -10.481 5.997 1.00 0.61 H new ATOM 0 HA HIS A 124 17.703 -8.857 3.610 1.00 0.59 H new ATOM 0 HB2 HIS A 124 15.346 -8.091 3.628 1.00 0.63 H new ATOM 0 HB3 HIS A 124 15.434 -9.826 3.400 1.00 0.63 H new ATOM 0 HD2 HIS A 124 14.096 -7.149 5.656 1.00 0.66 H new ATOM 0 HE1 HIS A 124 12.894 -10.670 7.577 1.00 0.57 H new ATOM 0 HE2 HIS A 124 12.637 -8.140 7.484 1.00 0.66 H new ATOM 2078 N ASP A 125 17.568 -8.065 6.707 1.00 0.62 N ATOM 2079 CA ASP A 125 17.725 -6.981 7.662 1.00 0.72 C ATOM 2080 C ASP A 125 19.131 -6.431 7.572 1.00 0.64 C ATOM 2081 O ASP A 125 19.492 -5.473 8.254 1.00 0.66 O ATOM 2082 CB ASP A 125 17.432 -7.464 9.083 1.00 0.97 C ATOM 2083 CG ASP A 125 16.017 -7.980 9.237 1.00 1.54 C ATOM 2084 OD1 ASP A 125 15.069 -7.168 9.166 1.00 2.14 O ATOM 2085 OD2 ASP A 125 15.843 -9.201 9.422 1.00 2.11 O ATOM 0 H ASP A 125 17.639 -9.000 7.108 1.00 0.62 H new ATOM 0 HA ASP A 125 17.013 -6.192 7.422 1.00 0.72 H new ATOM 0 HB2 ASP A 125 18.135 -8.254 9.347 1.00 0.97 H new ATOM 0 HB3 ASP A 125 17.595 -6.645 9.783 1.00 0.97 H new ATOM 2090 N GLU A 126 19.906 -7.038 6.683 1.00 0.62 N ATOM 2091 CA GLU A 126 21.295 -6.678 6.479 1.00 0.62 C ATOM 2092 C GLU A 126 21.382 -5.407 5.649 1.00 0.52 C ATOM 2093 O GLU A 126 22.462 -4.843 5.456 1.00 0.61 O ATOM 2094 CB GLU A 126 22.033 -7.806 5.759 1.00 0.76 C ATOM 2095 CG GLU A 126 21.591 -9.198 6.179 1.00 1.19 C ATOM 2096 CD GLU A 126 21.569 -9.400 7.682 1.00 1.84 C ATOM 2097 OE1 GLU A 126 22.659 -9.409 8.294 1.00 2.27 O ATOM 2098 OE2 GLU A 126 20.470 -9.528 8.262 1.00 2.30 O ATOM 0 H GLU A 126 19.583 -7.797 6.082 1.00 0.62 H new ATOM 0 HA GLU A 126 21.759 -6.511 7.451 1.00 0.62 H new ATOM 0 HB2 GLU A 126 21.884 -7.697 4.685 1.00 0.76 H new ATOM 0 HB3 GLU A 126 23.102 -7.704 5.944 1.00 0.76 H new ATOM 0 HG2 GLU A 126 20.595 -9.390 5.780 1.00 1.19 H new ATOM 0 HG3 GLU A 126 22.260 -9.933 5.732 1.00 1.19 H new ATOM 2105 N TYR A 127 20.233 -4.970 5.162 1.00 0.43 N ATOM 2106 CA TYR A 127 20.161 -3.838 4.264 1.00 0.38 C ATOM 2107 C TYR A 127 19.299 -2.732 4.844 1.00 0.39 C ATOM 2108 O TYR A 127 18.328 -2.988 5.556 1.00 0.42 O ATOM 2109 CB TYR A 127 19.578 -4.274 2.924 1.00 0.36 C ATOM 2110 CG TYR A 127 20.328 -5.408 2.284 1.00 0.36 C ATOM 2111 CD1 TYR A 127 21.558 -5.199 1.682 1.00 0.38 C ATOM 2112 CD2 TYR A 127 19.802 -6.684 2.285 1.00 0.40 C ATOM 2113 CE1 TYR A 127 22.246 -6.240 1.096 1.00 0.41 C ATOM 2114 CE2 TYR A 127 20.476 -7.730 1.706 1.00 0.43 C ATOM 2115 CZ TYR A 127 21.720 -7.487 1.096 1.00 0.43 C ATOM 2116 OH TYR A 127 22.374 -8.554 0.525 1.00 0.49 O ATOM 0 H TYR A 127 19.329 -5.390 5.379 1.00 0.43 H new ATOM 0 HA TYR A 127 21.173 -3.457 4.124 1.00 0.38 H new ATOM 0 HB2 TYR A 127 18.539 -4.572 3.068 1.00 0.36 H new ATOM 0 HB3 TYR A 127 19.574 -3.422 2.244 1.00 0.36 H new ATOM 0 HD1 TYR A 127 21.984 -4.207 1.672 1.00 0.38 H new ATOM 0 HD2 TYR A 127 18.843 -6.862 2.749 1.00 0.40 H new ATOM 0 HE1 TYR A 127 23.206 -6.060 0.636 1.00 0.41 H new ATOM 0 HE2 TYR A 127 20.057 -8.725 1.719 1.00 0.43 H new ATOM 0 HH TYR A 127 22.401 -9.299 1.161 1.00 0.49 H new ATOM 2126 N SER A 128 19.656 -1.505 4.539 1.00 0.40 N ATOM 2127 CA SER A 128 18.843 -0.364 4.897 1.00 0.42 C ATOM 2128 C SER A 128 18.281 0.252 3.626 1.00 0.41 C ATOM 2129 O SER A 128 18.800 0.004 2.536 1.00 0.54 O ATOM 2130 CB SER A 128 19.677 0.651 5.670 1.00 0.47 C ATOM 2131 OG SER A 128 20.288 0.041 6.793 1.00 1.13 O ATOM 0 H SER A 128 20.513 -1.270 4.039 1.00 0.40 H new ATOM 0 HA SER A 128 18.020 -0.678 5.539 1.00 0.42 H new ATOM 0 HB2 SER A 128 20.441 1.074 5.018 1.00 0.47 H new ATOM 0 HB3 SER A 128 19.044 1.476 5.997 1.00 0.47 H new ATOM 0 HG SER A 128 19.940 0.445 7.615 1.00 1.13 H new ATOM 2137 N LEU A 129 17.224 1.036 3.746 1.00 0.42 N ATOM 2138 CA LEU A 129 16.596 1.596 2.563 1.00 0.42 C ATOM 2139 C LEU A 129 16.961 3.068 2.455 1.00 0.43 C ATOM 2140 O LEU A 129 17.144 3.731 3.464 1.00 0.48 O ATOM 2141 CB LEU A 129 15.075 1.404 2.637 1.00 0.43 C ATOM 2142 CG LEU A 129 14.342 1.159 1.305 1.00 0.45 C ATOM 2143 CD1 LEU A 129 14.339 2.401 0.428 1.00 1.33 C ATOM 2144 CD2 LEU A 129 14.965 -0.009 0.554 1.00 1.13 C ATOM 0 H LEU A 129 16.790 1.295 4.632 1.00 0.42 H new ATOM 0 HA LEU A 129 16.954 1.081 1.671 1.00 0.42 H new ATOM 0 HB2 LEU A 129 14.870 0.562 3.298 1.00 0.43 H new ATOM 0 HB3 LEU A 129 14.643 2.288 3.105 1.00 0.43 H new ATOM 0 HG LEU A 129 13.307 0.915 1.545 1.00 0.45 H new ATOM 0 HD11 LEU A 129 13.813 2.188 -0.502 1.00 1.33 H new ATOM 0 HD12 LEU A 129 13.837 3.215 0.951 1.00 1.33 H new ATOM 0 HD13 LEU A 129 15.366 2.692 0.206 1.00 1.33 H new ATOM 0 HD21 LEU A 129 14.432 -0.165 -0.384 1.00 1.13 H new ATOM 0 HD22 LEU A 129 16.012 0.210 0.344 1.00 1.13 H new ATOM 0 HD23 LEU A 129 14.898 -0.910 1.163 1.00 1.13 H new ATOM 2156 N VAL A 130 17.111 3.559 1.245 1.00 0.42 N ATOM 2157 CA VAL A 130 17.374 4.970 1.021 1.00 0.46 C ATOM 2158 C VAL A 130 16.615 5.443 -0.215 1.00 0.46 C ATOM 2159 O VAL A 130 16.826 4.947 -1.323 1.00 0.45 O ATOM 2160 CB VAL A 130 18.895 5.241 0.894 1.00 0.48 C ATOM 2161 CG1 VAL A 130 19.541 4.215 0.004 1.00 0.49 C ATOM 2162 CG2 VAL A 130 19.190 6.632 0.366 1.00 0.60 C ATOM 0 H VAL A 130 17.055 3.001 0.393 1.00 0.42 H new ATOM 0 HA VAL A 130 17.021 5.538 1.882 1.00 0.46 H new ATOM 0 HB VAL A 130 19.313 5.171 1.898 1.00 0.48 H new ATOM 0 HG11 VAL A 130 20.609 4.421 -0.074 1.00 0.49 H new ATOM 0 HG12 VAL A 130 19.393 3.221 0.427 1.00 0.49 H new ATOM 0 HG13 VAL A 130 19.090 4.258 -0.988 1.00 0.49 H new ATOM 0 HG21 VAL A 130 20.269 6.773 0.295 1.00 0.60 H new ATOM 0 HG22 VAL A 130 18.743 6.749 -0.621 1.00 0.60 H new ATOM 0 HG23 VAL A 130 18.771 7.375 1.044 1.00 0.60 H new ATOM 2172 N ARG A 131 15.697 6.371 -0.009 1.00 0.48 N ATOM 2173 CA ARG A 131 14.863 6.863 -1.088 1.00 0.50 C ATOM 2174 C ARG A 131 15.435 8.141 -1.666 1.00 0.57 C ATOM 2175 O ARG A 131 15.283 9.222 -1.085 1.00 0.64 O ATOM 2176 CB ARG A 131 13.460 7.167 -0.572 1.00 0.54 C ATOM 2177 CG ARG A 131 12.762 6.005 0.097 1.00 0.51 C ATOM 2178 CD ARG A 131 11.520 6.488 0.822 1.00 0.62 C ATOM 2179 NE ARG A 131 10.683 7.345 -0.019 1.00 0.96 N ATOM 2180 CZ ARG A 131 10.011 8.397 0.447 1.00 1.65 C ATOM 2181 NH1 ARG A 131 10.103 8.718 1.734 1.00 2.18 N ATOM 2182 NH2 ARG A 131 9.248 9.117 -0.366 1.00 2.01 N ATOM 0 H ARG A 131 15.511 6.799 0.898 1.00 0.48 H new ATOM 0 HA ARG A 131 14.827 6.091 -1.857 1.00 0.50 H new ATOM 0 HB2 ARG A 131 13.520 7.993 0.137 1.00 0.54 H new ATOM 0 HB3 ARG A 131 12.848 7.508 -1.407 1.00 0.54 H new ATOM 0 HG2 ARG A 131 12.490 5.257 -0.648 1.00 0.51 H new ATOM 0 HG3 ARG A 131 13.439 5.522 0.802 1.00 0.51 H new ATOM 0 HD2 ARG A 131 10.938 5.628 1.153 1.00 0.62 H new ATOM 0 HD3 ARG A 131 11.815 7.037 1.716 1.00 0.62 H new ATOM 0 HE ARG A 131 10.610 7.126 -1.013 1.00 0.96 H new ATOM 0 HH11 ARG A 131 10.686 8.160 2.358 1.00 2.18 H new ATOM 0 HH12 ARG A 131 9.591 9.522 2.097 1.00 2.18 H new ATOM 0 HH21 ARG A 131 9.174 8.866 -1.352 1.00 2.01 H new ATOM 0 HH22 ARG A 131 8.735 9.921 -0.005 1.00 2.01 H new ATOM 2196 N GLU A 132 16.068 8.026 -2.812 1.00 0.58 N ATOM 2197 CA GLU A 132 16.526 9.203 -3.515 1.00 0.66 C ATOM 2198 C GLU A 132 15.373 9.792 -4.300 1.00 0.73 C ATOM 2199 O GLU A 132 14.865 9.176 -5.250 1.00 0.74 O ATOM 2200 CB GLU A 132 17.693 8.897 -4.452 1.00 0.68 C ATOM 2201 CG GLU A 132 18.968 8.470 -3.747 1.00 0.64 C ATOM 2202 CD GLU A 132 20.160 8.437 -4.684 1.00 0.72 C ATOM 2203 OE1 GLU A 132 20.071 7.797 -5.754 1.00 0.90 O ATOM 2204 OE2 GLU A 132 21.188 9.069 -4.368 1.00 1.05 O ATOM 0 H GLU A 132 16.276 7.140 -3.273 1.00 0.58 H new ATOM 0 HA GLU A 132 16.886 9.919 -2.776 1.00 0.66 H new ATOM 0 HB2 GLU A 132 17.392 8.108 -5.142 1.00 0.68 H new ATOM 0 HB3 GLU A 132 17.903 9.782 -5.052 1.00 0.68 H new ATOM 0 HG2 GLU A 132 19.173 9.156 -2.925 1.00 0.64 H new ATOM 0 HG3 GLU A 132 18.825 7.482 -3.309 1.00 0.64 H new ATOM 2211 N LEU A 133 14.936 10.968 -3.890 1.00 0.80 N ATOM 2212 CA LEU A 133 13.752 11.551 -4.487 1.00 0.87 C ATOM 2213 C LEU A 133 14.064 12.696 -5.442 1.00 0.97 C ATOM 2214 O LEU A 133 15.216 12.967 -5.785 1.00 1.02 O ATOM 2215 CB LEU A 133 12.805 12.044 -3.400 1.00 0.92 C ATOM 2216 CG LEU A 133 12.481 11.030 -2.309 1.00 0.87 C ATOM 2217 CD1 LEU A 133 11.318 11.528 -1.479 1.00 0.97 C ATOM 2218 CD2 LEU A 133 12.166 9.665 -2.898 1.00 0.80 C ATOM 0 H LEU A 133 15.374 11.529 -3.159 1.00 0.80 H new ATOM 0 HA LEU A 133 13.282 10.761 -5.072 1.00 0.87 H new ATOM 0 HB2 LEU A 133 13.242 12.927 -2.934 1.00 0.92 H new ATOM 0 HB3 LEU A 133 11.873 12.359 -3.869 1.00 0.92 H new ATOM 0 HG LEU A 133 13.358 10.920 -1.671 1.00 0.87 H new ATOM 0 HD11 LEU A 133 11.089 10.801 -0.700 1.00 0.97 H new ATOM 0 HD12 LEU A 133 11.580 12.481 -1.020 1.00 0.97 H new ATOM 0 HD13 LEU A 133 10.445 11.662 -2.118 1.00 0.97 H new ATOM 0 HD21 LEU A 133 11.939 8.965 -2.094 1.00 0.80 H new ATOM 0 HD22 LEU A 133 11.306 9.745 -3.562 1.00 0.80 H new ATOM 0 HD23 LEU A 133 13.027 9.304 -3.461 1.00 0.80 H new ATOM 2230 N MET A 134 12.993 13.348 -5.849 1.00 1.04 N ATOM 2231 CA MET A 134 13.010 14.467 -6.779 1.00 1.15 C ATOM 2232 C MET A 134 12.243 15.616 -6.145 1.00 1.22 C ATOM 2233 O MET A 134 11.774 16.536 -6.815 1.00 1.29 O ATOM 2234 CB MET A 134 12.327 14.021 -8.075 1.00 1.27 C ATOM 2235 CG MET A 134 11.143 13.090 -7.820 1.00 1.36 C ATOM 2236 SD MET A 134 9.809 13.876 -6.894 1.00 1.80 S ATOM 2237 CE MET A 134 9.017 12.449 -6.160 1.00 2.03 C ATOM 0 H MET A 134 12.054 13.108 -5.532 1.00 1.04 H new ATOM 0 HA MET A 134 14.027 14.789 -7.001 1.00 1.15 H new ATOM 0 HB2 MET A 134 11.984 14.899 -8.622 1.00 1.27 H new ATOM 0 HB3 MET A 134 13.054 13.514 -8.710 1.00 1.27 H new ATOM 0 HG2 MET A 134 10.755 12.736 -8.775 1.00 1.36 H new ATOM 0 HG3 MET A 134 11.489 12.213 -7.273 1.00 1.36 H new ATOM 0 HE1 MET A 134 7.979 12.688 -5.928 1.00 2.03 H new ATOM 0 HE2 MET A 134 9.049 11.615 -6.861 1.00 2.03 H new ATOM 0 HE3 MET A 134 9.540 12.174 -5.244 1.00 2.03 H new ATOM 2247 N GLU A 135 12.155 15.538 -4.829 1.00 1.27 N ATOM 2248 CA GLU A 135 11.208 16.307 -4.046 1.00 1.39 C ATOM 2249 C GLU A 135 11.522 17.791 -3.978 1.00 1.41 C ATOM 2250 O GLU A 135 12.649 18.197 -3.694 1.00 1.45 O ATOM 2251 CB GLU A 135 11.163 15.741 -2.635 1.00 1.48 C ATOM 2252 CG GLU A 135 10.154 14.633 -2.451 1.00 1.58 C ATOM 2253 CD GLU A 135 8.758 15.180 -2.280 1.00 1.83 C ATOM 2254 OE1 GLU A 135 8.152 15.600 -3.282 1.00 2.29 O ATOM 2255 OE2 GLU A 135 8.284 15.215 -1.126 1.00 2.04 O ATOM 0 H GLU A 135 12.749 14.929 -4.267 1.00 1.27 H new ATOM 0 HA GLU A 135 10.244 16.220 -4.548 1.00 1.39 H new ATOM 0 HB2 GLU A 135 12.152 15.365 -2.373 1.00 1.48 H new ATOM 0 HB3 GLU A 135 10.934 16.547 -1.938 1.00 1.48 H new ATOM 0 HG2 GLU A 135 10.182 13.967 -3.313 1.00 1.58 H new ATOM 0 HG3 GLU A 135 10.422 14.037 -1.579 1.00 1.58 H new ATOM 2262 N GLU A 136 10.497 18.587 -4.234 1.00 1.46 N ATOM 2263 CA GLU A 136 10.532 20.012 -3.969 1.00 1.52 C ATOM 2264 C GLU A 136 10.301 20.262 -2.482 1.00 1.52 C ATOM 2265 O GLU A 136 10.729 21.272 -1.927 1.00 1.59 O ATOM 2266 CB GLU A 136 9.441 20.703 -4.784 1.00 1.67 C ATOM 2267 CG GLU A 136 8.044 20.192 -4.465 1.00 1.73 C ATOM 2268 CD GLU A 136 6.958 20.904 -5.238 1.00 1.93 C ATOM 2269 OE1 GLU A 136 7.022 20.914 -6.484 1.00 1.99 O ATOM 2270 OE2 GLU A 136 6.024 21.437 -4.602 1.00 2.12 O ATOM 0 H GLU A 136 9.616 18.261 -4.632 1.00 1.46 H new ATOM 0 HA GLU A 136 11.505 20.413 -4.252 1.00 1.52 H new ATOM 0 HB2 GLU A 136 9.480 21.776 -4.597 1.00 1.67 H new ATOM 0 HB3 GLU A 136 9.641 20.557 -5.845 1.00 1.67 H new ATOM 0 HG2 GLU A 136 7.996 19.125 -4.683 1.00 1.73 H new ATOM 0 HG3 GLU A 136 7.857 20.308 -3.397 1.00 1.73 H new ATOM 2277 N LYS A 137 9.619 19.316 -1.845 1.00 1.53 N ATOM 2278 CA LYS A 137 9.244 19.446 -0.450 1.00 1.61 C ATOM 2279 C LYS A 137 10.243 18.722 0.442 1.00 1.55 C ATOM 2280 O LYS A 137 11.065 19.347 1.112 1.00 1.63 O ATOM 2281 CB LYS A 137 7.842 18.870 -0.232 1.00 1.72 C ATOM 2282 CG LYS A 137 6.826 19.348 -1.256 1.00 1.83 C ATOM 2283 CD LYS A 137 5.447 18.769 -0.997 1.00 2.14 C ATOM 2284 CE LYS A 137 4.460 19.177 -2.080 1.00 2.31 C ATOM 2285 NZ LYS A 137 4.374 20.654 -2.237 1.00 2.98 N ATOM 0 H LYS A 137 9.315 18.446 -2.281 1.00 1.53 H new ATOM 0 HA LYS A 137 9.245 20.504 -0.188 1.00 1.61 H new ATOM 0 HB2 LYS A 137 7.895 17.782 -0.265 1.00 1.72 H new ATOM 0 HB3 LYS A 137 7.497 19.142 0.765 1.00 1.72 H new ATOM 0 HG2 LYS A 137 6.773 20.436 -1.234 1.00 1.83 H new ATOM 0 HG3 LYS A 137 7.157 19.065 -2.255 1.00 1.83 H new ATOM 0 HD2 LYS A 137 5.510 17.682 -0.951 1.00 2.14 H new ATOM 0 HD3 LYS A 137 5.085 19.108 -0.026 1.00 2.14 H new ATOM 0 HE2 LYS A 137 4.759 18.730 -3.028 1.00 2.31 H new ATOM 0 HE3 LYS A 137 3.474 18.781 -1.838 1.00 2.31 H new ATOM 0 HZ1 LYS A 137 3.383 20.930 -2.391 1.00 2.98 H new ATOM 0 HZ2 LYS A 137 4.732 21.116 -1.377 1.00 2.98 H new ATOM 0 HZ3 LYS A 137 4.946 20.950 -3.053 1.00 2.98 H new ATOM 2299 N LYS A 138 10.159 17.399 0.427 1.00 1.47 N ATOM 2300 CA LYS A 138 11.011 16.542 1.241 1.00 1.45 C ATOM 2301 C LYS A 138 12.493 16.782 0.939 1.00 1.34 C ATOM 2302 O LYS A 138 13.229 17.307 1.775 1.00 1.43 O ATOM 2303 CB LYS A 138 10.635 15.091 0.944 1.00 1.48 C ATOM 2304 CG LYS A 138 11.089 14.085 1.974 1.00 1.52 C ATOM 2305 CD LYS A 138 10.486 12.714 1.694 1.00 1.58 C ATOM 2306 CE LYS A 138 8.960 12.733 1.758 1.00 1.42 C ATOM 2307 NZ LYS A 138 8.315 13.025 0.438 1.00 1.76 N ATOM 0 H LYS A 138 9.494 16.887 -0.153 1.00 1.47 H new ATOM 0 HA LYS A 138 10.859 16.769 2.296 1.00 1.45 H new ATOM 0 HB2 LYS A 138 9.551 15.026 0.849 1.00 1.48 H new ATOM 0 HB3 LYS A 138 11.057 14.814 -0.022 1.00 1.48 H new ATOM 0 HG2 LYS A 138 12.177 14.017 1.968 1.00 1.52 H new ATOM 0 HG3 LYS A 138 10.796 14.420 2.969 1.00 1.52 H new ATOM 0 HD2 LYS A 138 10.803 12.374 0.708 1.00 1.58 H new ATOM 0 HD3 LYS A 138 10.870 11.995 2.418 1.00 1.58 H new ATOM 0 HE2 LYS A 138 8.607 11.768 2.122 1.00 1.42 H new ATOM 0 HE3 LYS A 138 8.643 13.483 2.483 1.00 1.42 H new ATOM 0 HZ1 LYS A 138 7.397 12.540 0.385 1.00 1.76 H new ATOM 0 HZ2 LYS A 138 8.171 14.050 0.341 1.00 1.76 H new ATOM 0 HZ3 LYS A 138 8.929 12.688 -0.331 1.00 1.76 H new ATOM 2321 N ASP A 169 12.896 16.390 -0.268 1.00 1.23 N ATOM 2322 CA ASP A 169 14.271 16.523 -0.754 1.00 1.18 C ATOM 2323 C ASP A 169 15.263 15.943 0.234 1.00 1.11 C ATOM 2324 O ASP A 169 15.926 16.662 0.985 1.00 1.30 O ATOM 2325 CB ASP A 169 14.624 17.973 -1.083 1.00 1.35 C ATOM 2326 CG ASP A 169 15.956 18.079 -1.799 1.00 1.44 C ATOM 2327 OD1 ASP A 169 16.067 17.558 -2.932 1.00 1.48 O ATOM 2328 OD2 ASP A 169 16.893 18.687 -1.241 1.00 1.59 O ATOM 0 H ASP A 169 12.267 15.964 -0.948 1.00 1.23 H new ATOM 0 HA ASP A 169 14.335 15.951 -1.679 1.00 1.18 H new ATOM 0 HB2 ASP A 169 13.841 18.405 -1.706 1.00 1.35 H new ATOM 0 HB3 ASP A 169 14.658 18.557 -0.163 1.00 1.35 H new ATOM 2333 N GLU A 170 15.321 14.628 0.251 1.00 0.96 N ATOM 2334 CA GLU A 170 16.241 13.920 1.108 1.00 0.90 C ATOM 2335 C GLU A 170 16.669 12.617 0.448 1.00 0.78 C ATOM 2336 O GLU A 170 16.070 12.178 -0.551 1.00 0.77 O ATOM 2337 CB GLU A 170 15.575 13.625 2.456 1.00 0.98 C ATOM 2338 CG GLU A 170 16.429 13.983 3.662 1.00 1.24 C ATOM 2339 CD GLU A 170 17.650 13.098 3.807 1.00 1.90 C ATOM 2340 OE1 GLU A 170 18.712 13.441 3.250 1.00 2.27 O ATOM 2341 OE2 GLU A 170 17.555 12.057 4.484 1.00 2.57 O ATOM 0 H GLU A 170 14.735 14.025 -0.326 1.00 0.96 H new ATOM 0 HA GLU A 170 17.122 14.541 1.272 1.00 0.90 H new ATOM 0 HB2 GLU A 170 14.636 14.175 2.513 1.00 0.98 H new ATOM 0 HB3 GLU A 170 15.327 12.565 2.502 1.00 0.98 H new ATOM 0 HG2 GLU A 170 16.748 15.022 3.579 1.00 1.24 H new ATOM 0 HG3 GLU A 170 15.823 13.907 4.565 1.00 1.24 H new ATOM 2348 N LEU A 171 17.708 12.019 1.011 1.00 0.73 N ATOM 2349 CA LEU A 171 18.135 10.690 0.628 1.00 0.67 C ATOM 2350 C LEU A 171 17.174 9.690 1.208 1.00 0.62 C ATOM 2351 O LEU A 171 17.098 8.561 0.759 1.00 0.57 O ATOM 2352 CB LEU A 171 19.538 10.397 1.152 1.00 0.71 C ATOM 2353 CG LEU A 171 20.591 11.413 0.751 1.00 0.77 C ATOM 2354 CD1 LEU A 171 21.965 10.980 1.233 1.00 0.86 C ATOM 2355 CD2 LEU A 171 20.580 11.604 -0.753 1.00 0.74 C ATOM 0 H LEU A 171 18.275 12.444 1.745 1.00 0.73 H new ATOM 0 HA LEU A 171 18.151 10.623 -0.460 1.00 0.67 H new ATOM 0 HB2 LEU A 171 19.501 10.343 2.240 1.00 0.71 H new ATOM 0 HB3 LEU A 171 19.846 9.414 0.795 1.00 0.71 H new ATOM 0 HG LEU A 171 20.357 12.367 1.223 1.00 0.77 H new ATOM 0 HD11 LEU A 171 22.706 11.722 0.935 1.00 0.86 H new ATOM 0 HD12 LEU A 171 21.958 10.890 2.319 1.00 0.86 H new ATOM 0 HD13 LEU A 171 22.219 10.017 0.791 1.00 0.86 H new ATOM 0 HD21 LEU A 171 21.339 12.335 -1.033 1.00 0.74 H new ATOM 0 HD22 LEU A 171 20.794 10.654 -1.242 1.00 0.74 H new ATOM 0 HD23 LEU A 171 19.599 11.961 -1.067 1.00 0.74 H new ATOM 2367 N ASN A 172 16.461 10.129 2.232 1.00 0.65 N ATOM 2368 CA ASN A 172 15.446 9.321 2.876 1.00 0.63 C ATOM 2369 C ASN A 172 15.983 7.950 3.235 1.00 0.57 C ATOM 2370 O ASN A 172 15.607 6.950 2.622 1.00 0.53 O ATOM 2371 CB ASN A 172 14.221 9.178 1.973 1.00 0.65 C ATOM 2372 CG ASN A 172 13.325 10.393 1.999 1.00 0.75 C ATOM 2373 OD1 ASN A 172 12.505 10.553 2.902 1.00 0.90 O ATOM 2374 ND2 ASN A 172 13.436 11.231 0.981 1.00 0.80 N ATOM 0 H ASN A 172 16.572 11.058 2.639 1.00 0.65 H new ATOM 0 HA ASN A 172 15.154 9.828 3.796 1.00 0.63 H new ATOM 0 HB2 ASN A 172 14.550 8.997 0.950 1.00 0.65 H new ATOM 0 HB3 ASN A 172 13.648 8.304 2.283 1.00 0.65 H new ATOM 0 HD21 ASN A 172 12.827 12.048 0.924 1.00 0.80 H new ATOM 0 HD22 ASN A 172 14.130 11.060 0.253 1.00 0.80 H new ATOM 2381 N TRP A 173 16.841 7.890 4.236 1.00 0.58 N ATOM 2382 CA TRP A 173 17.398 6.629 4.661 1.00 0.55 C ATOM 2383 C TRP A 173 16.413 5.982 5.622 1.00 0.54 C ATOM 2384 O TRP A 173 16.302 6.385 6.779 1.00 0.61 O ATOM 2385 CB TRP A 173 18.753 6.840 5.339 1.00 0.60 C ATOM 2386 CG TRP A 173 19.910 6.891 4.394 1.00 0.63 C ATOM 2387 CD1 TRP A 173 20.378 7.985 3.728 1.00 0.72 C ATOM 2388 CD2 TRP A 173 20.757 5.801 4.022 1.00 0.64 C ATOM 2389 NE1 TRP A 173 21.463 7.642 2.963 1.00 0.78 N ATOM 2390 CE2 TRP A 173 21.717 6.305 3.126 1.00 0.73 C ATOM 2391 CE3 TRP A 173 20.799 4.446 4.362 1.00 0.65 C ATOM 2392 CZ2 TRP A 173 22.704 5.502 2.563 1.00 0.80 C ATOM 2393 CZ3 TRP A 173 21.779 3.650 3.802 1.00 0.73 C ATOM 2394 CH2 TRP A 173 22.722 4.181 2.914 1.00 0.79 C ATOM 0 H TRP A 173 17.164 8.700 4.766 1.00 0.58 H new ATOM 0 HA TRP A 173 17.561 5.982 3.799 1.00 0.55 H new ATOM 0 HB2 TRP A 173 18.721 7.770 5.907 1.00 0.60 H new ATOM 0 HB3 TRP A 173 18.918 6.034 6.054 1.00 0.60 H new ATOM 0 HD1 TRP A 173 19.956 8.977 3.794 1.00 0.72 H new ATOM 0 HE1 TRP A 173 21.995 8.278 2.369 1.00 0.78 H new ATOM 0 HE3 TRP A 173 20.078 4.029 5.050 1.00 0.65 H new ATOM 0 HZ2 TRP A 173 23.430 5.908 1.874 1.00 0.80 H new ATOM 0 HZ3 TRP A 173 21.818 2.600 4.053 1.00 0.73 H new ATOM 0 HH2 TRP A 173 23.479 3.534 2.498 1.00 0.79 H new ATOM 2405 N LEU A 174 15.671 5.013 5.124 1.00 0.49 N ATOM 2406 CA LEU A 174 14.592 4.416 5.879 1.00 0.49 C ATOM 2407 C LEU A 174 15.101 3.619 7.061 1.00 0.53 C ATOM 2408 O LEU A 174 15.855 2.643 6.904 1.00 0.56 O ATOM 2409 CB LEU A 174 13.719 3.531 5.002 1.00 0.48 C ATOM 2410 CG LEU A 174 12.981 4.246 3.876 1.00 0.50 C ATOM 2411 CD1 LEU A 174 11.843 3.371 3.383 1.00 0.52 C ATOM 2412 CD2 LEU A 174 12.466 5.599 4.340 1.00 0.54 C ATOM 0 H LEU A 174 15.799 4.621 4.191 1.00 0.49 H new ATOM 0 HA LEU A 174 13.988 5.241 6.256 1.00 0.49 H new ATOM 0 HB2 LEU A 174 14.344 2.752 4.566 1.00 0.48 H new ATOM 0 HB3 LEU A 174 12.985 3.033 5.635 1.00 0.48 H new ATOM 0 HG LEU A 174 13.673 4.424 3.053 1.00 0.50 H new ATOM 0 HD11 LEU A 174 11.314 3.881 2.578 1.00 0.52 H new ATOM 0 HD12 LEU A 174 12.244 2.427 3.013 1.00 0.52 H new ATOM 0 HD13 LEU A 174 11.153 3.175 4.203 1.00 0.52 H new ATOM 0 HD21 LEU A 174 11.943 6.090 3.519 1.00 0.54 H new ATOM 0 HD22 LEU A 174 11.780 5.460 5.176 1.00 0.54 H new ATOM 0 HD23 LEU A 174 13.305 6.218 4.658 1.00 0.54 H new ATOM 2424 N ASP A 175 14.631 4.047 8.230 1.00 0.61 N ATOM 2425 CA ASP A 175 14.962 3.447 9.519 1.00 0.72 C ATOM 2426 C ASP A 175 14.372 2.051 9.646 1.00 0.68 C ATOM 2427 O ASP A 175 14.782 1.268 10.501 1.00 0.75 O ATOM 2428 CB ASP A 175 14.428 4.354 10.638 1.00 0.93 C ATOM 2429 CG ASP A 175 14.498 3.729 12.018 1.00 1.83 C ATOM 2430 OD1 ASP A 175 15.558 3.820 12.668 1.00 2.56 O ATOM 2431 OD2 ASP A 175 13.482 3.160 12.468 1.00 2.37 O ATOM 0 H ASP A 175 13.994 4.840 8.309 1.00 0.61 H new ATOM 0 HA ASP A 175 16.045 3.353 9.599 1.00 0.72 H new ATOM 0 HB2 ASP A 175 14.996 5.284 10.641 1.00 0.93 H new ATOM 0 HB3 ASP A 175 13.392 4.614 10.419 1.00 0.93 H new ATOM 2436 N HIS A 176 13.422 1.747 8.760 1.00 0.66 N ATOM 2437 CA HIS A 176 12.656 0.500 8.816 1.00 0.71 C ATOM 2438 C HIS A 176 11.669 0.549 9.968 1.00 0.83 C ATOM 2439 O HIS A 176 11.037 -0.447 10.300 1.00 1.10 O ATOM 2440 CB HIS A 176 13.564 -0.734 8.955 1.00 0.71 C ATOM 2441 CG HIS A 176 14.364 -1.058 7.734 1.00 0.69 C ATOM 2442 ND1 HIS A 176 13.953 -1.973 6.796 1.00 0.77 N ATOM 2443 CD2 HIS A 176 15.563 -0.597 7.305 1.00 0.67 C ATOM 2444 CE1 HIS A 176 14.857 -2.063 5.845 1.00 0.76 C ATOM 2445 NE2 HIS A 176 15.852 -1.241 6.124 1.00 0.69 N ATOM 0 H HIS A 176 13.162 2.357 7.985 1.00 0.66 H new ATOM 0 HA HIS A 176 12.118 0.405 7.873 1.00 0.71 H new ATOM 0 HB2 HIS A 176 14.247 -0.574 9.789 1.00 0.71 H new ATOM 0 HB3 HIS A 176 12.947 -1.596 9.209 1.00 0.71 H new ATOM 0 HD2 HIS A 176 16.179 0.140 7.799 1.00 0.67 H new ATOM 0 HE1 HIS A 176 14.796 -2.704 4.978 1.00 0.76 H new ATOM 0 HE2 HIS A 176 16.691 -1.106 5.560 1.00 0.69 H new ATOM 2454 N GLY A 177 11.508 1.731 10.532 1.00 0.82 N ATOM 2455 CA GLY A 177 10.714 1.874 11.731 1.00 0.96 C ATOM 2456 C GLY A 177 9.290 2.273 11.446 1.00 1.00 C ATOM 2457 O GLY A 177 8.355 1.663 11.962 1.00 1.34 O ATOM 0 H GLY A 177 11.914 2.598 10.180 1.00 0.82 H new ATOM 0 HA2 GLY A 177 10.719 0.932 12.279 1.00 0.96 H new ATOM 0 HA3 GLY A 177 11.173 2.622 12.378 1.00 0.96 H new ATOM 2461 N ARG A 178 9.111 3.294 10.625 1.00 0.90 N ATOM 2462 CA ARG A 178 7.769 3.786 10.343 1.00 0.99 C ATOM 2463 C ARG A 178 7.258 3.234 9.021 1.00 0.87 C ATOM 2464 O ARG A 178 8.034 2.721 8.207 1.00 0.86 O ATOM 2465 CB ARG A 178 7.733 5.318 10.333 1.00 1.22 C ATOM 2466 CG ARG A 178 8.336 5.958 9.094 1.00 1.27 C ATOM 2467 CD ARG A 178 8.442 7.463 9.265 1.00 1.18 C ATOM 2468 NE ARG A 178 9.371 7.802 10.340 1.00 1.23 N ATOM 2469 CZ ARG A 178 10.248 8.806 10.296 1.00 1.74 C ATOM 2470 NH1 ARG A 178 10.289 9.628 9.253 1.00 2.16 N ATOM 2471 NH2 ARG A 178 11.080 8.990 11.312 1.00 2.18 N ATOM 0 H ARG A 178 9.862 3.793 10.148 1.00 0.90 H new ATOM 0 HA ARG A 178 7.113 3.437 11.140 1.00 0.99 H new ATOM 0 HB2 ARG A 178 6.697 5.644 10.427 1.00 1.22 H new ATOM 0 HB3 ARG A 178 8.264 5.686 11.211 1.00 1.22 H new ATOM 0 HG2 ARG A 178 9.324 5.538 8.906 1.00 1.27 H new ATOM 0 HG3 ARG A 178 7.721 5.728 8.224 1.00 1.27 H new ATOM 0 HD2 ARG A 178 8.778 7.916 8.332 1.00 1.18 H new ATOM 0 HD3 ARG A 178 7.458 7.878 9.485 1.00 1.18 H new ATOM 0 HE ARG A 178 9.347 7.230 11.184 1.00 1.23 H new ATOM 0 HH11 ARG A 178 9.645 9.495 8.473 1.00 2.16 H new ATOM 0 HH12 ARG A 178 10.965 10.392 9.232 1.00 2.16 H new ATOM 0 HH21 ARG A 178 11.046 8.366 12.118 1.00 2.18 H new ATOM 0 HH22 ARG A 178 11.754 9.755 11.287 1.00 2.18 H new ATOM 2485 N THR A 179 5.953 3.343 8.815 1.00 0.91 N ATOM 2486 CA THR A 179 5.326 2.861 7.598 1.00 0.89 C ATOM 2487 C THR A 179 5.675 3.765 6.414 1.00 0.86 C ATOM 2488 O THR A 179 6.297 4.820 6.575 1.00 0.91 O ATOM 2489 CB THR A 179 3.790 2.746 7.761 1.00 1.05 C ATOM 2490 OG1 THR A 179 3.183 2.270 6.551 1.00 1.20 O ATOM 2491 CG2 THR A 179 3.176 4.082 8.147 1.00 1.11 C ATOM 0 H THR A 179 5.306 3.764 9.482 1.00 0.91 H new ATOM 0 HA THR A 179 5.716 1.863 7.398 1.00 0.89 H new ATOM 0 HB THR A 179 3.600 2.030 8.561 1.00 1.05 H new ATOM 0 HG1 THR A 179 3.591 1.417 6.294 1.00 1.20 H new ATOM 0 HG21 THR A 179 2.097 3.969 8.254 1.00 1.11 H new ATOM 0 HG22 THR A 179 3.601 4.418 9.093 1.00 1.11 H new ATOM 0 HG23 THR A 179 3.389 4.818 7.371 1.00 1.11 H new ATOM 2499 N LEU A 180 5.263 3.345 5.237 1.00 0.84 N ATOM 2500 CA LEU A 180 5.665 3.983 3.997 1.00 0.84 C ATOM 2501 C LEU A 180 4.784 5.184 3.695 1.00 0.93 C ATOM 2502 O LEU A 180 5.265 6.237 3.266 1.00 0.97 O ATOM 2503 CB LEU A 180 5.575 2.956 2.876 1.00 0.85 C ATOM 2504 CG LEU A 180 6.152 1.590 3.241 1.00 0.83 C ATOM 2505 CD1 LEU A 180 5.997 0.611 2.091 1.00 1.08 C ATOM 2506 CD2 LEU A 180 7.609 1.728 3.653 1.00 0.90 C ATOM 0 H LEU A 180 4.638 2.549 5.110 1.00 0.84 H new ATOM 0 HA LEU A 180 6.689 4.345 4.087 1.00 0.84 H new ATOM 0 HB2 LEU A 180 4.530 2.834 2.591 1.00 0.85 H new ATOM 0 HB3 LEU A 180 6.101 3.340 2.002 1.00 0.85 H new ATOM 0 HG LEU A 180 5.593 1.192 4.088 1.00 0.83 H new ATOM 0 HD11 LEU A 180 6.416 -0.354 2.376 1.00 1.08 H new ATOM 0 HD12 LEU A 180 4.940 0.492 1.854 1.00 1.08 H new ATOM 0 HD13 LEU A 180 6.524 0.991 1.216 1.00 1.08 H new ATOM 0 HD21 LEU A 180 8.009 0.747 3.911 1.00 0.90 H new ATOM 0 HD22 LEU A 180 8.183 2.148 2.827 1.00 0.90 H new ATOM 0 HD23 LEU A 180 7.682 2.388 4.517 1.00 0.90 H new ATOM 2518 N ARG A 181 3.496 5.017 3.943 1.00 1.02 N ATOM 2519 CA ARG A 181 2.518 6.076 3.735 1.00 1.13 C ATOM 2520 C ARG A 181 2.842 7.275 4.622 1.00 1.18 C ATOM 2521 O ARG A 181 2.581 8.421 4.263 1.00 1.36 O ATOM 2522 CB ARG A 181 1.133 5.548 4.080 1.00 1.22 C ATOM 2523 CG ARG A 181 -0.010 6.348 3.486 1.00 1.15 C ATOM 2524 CD ARG A 181 -1.307 6.032 4.205 1.00 0.69 C ATOM 2525 NE ARG A 181 -1.335 4.645 4.672 1.00 1.10 N ATOM 2526 CZ ARG A 181 -1.791 4.280 5.868 1.00 2.02 C ATOM 2527 NH1 ARG A 181 -2.405 5.164 6.644 1.00 2.54 N ATOM 2528 NH2 ARG A 181 -1.656 3.028 6.278 1.00 2.64 N ATOM 0 H ARG A 181 3.097 4.146 4.294 1.00 1.02 H new ATOM 0 HA ARG A 181 2.547 6.392 2.692 1.00 1.13 H new ATOM 0 HB2 ARG A 181 1.055 4.517 3.736 1.00 1.22 H new ATOM 0 HB3 ARG A 181 1.024 5.532 5.164 1.00 1.22 H new ATOM 0 HG2 ARG A 181 0.205 7.414 3.563 1.00 1.15 H new ATOM 0 HG3 ARG A 181 -0.110 6.119 2.425 1.00 1.15 H new ATOM 0 HD2 ARG A 181 -1.428 6.706 5.053 1.00 0.69 H new ATOM 0 HD3 ARG A 181 -2.148 6.209 3.535 1.00 0.69 H new ATOM 0 HE ARG A 181 -0.986 3.919 4.047 1.00 1.10 H new ATOM 0 HH11 ARG A 181 -2.528 6.125 6.324 1.00 2.54 H new ATOM 0 HH12 ARG A 181 -2.754 4.883 7.560 1.00 2.54 H new ATOM 0 HH21 ARG A 181 -1.202 2.341 5.677 1.00 2.64 H new ATOM 0 HH22 ARG A 181 -2.006 2.751 7.195 1.00 2.64 H new ATOM 2542 N GLU A 182 3.434 6.985 5.774 1.00 1.11 N ATOM 2543 CA GLU A 182 3.797 8.002 6.751 1.00 1.18 C ATOM 2544 C GLU A 182 4.894 8.892 6.187 1.00 1.16 C ATOM 2545 O GLU A 182 4.874 10.114 6.340 1.00 1.25 O ATOM 2546 CB GLU A 182 4.290 7.327 8.030 1.00 1.25 C ATOM 2547 CG GLU A 182 4.455 8.270 9.205 1.00 1.34 C ATOM 2548 CD GLU A 182 3.125 8.804 9.700 1.00 1.89 C ATOM 2549 OE1 GLU A 182 2.334 8.017 10.253 1.00 2.30 O ATOM 2550 OE2 GLU A 182 2.863 10.015 9.534 1.00 2.31 O ATOM 0 H GLU A 182 3.676 6.035 6.057 1.00 1.11 H new ATOM 0 HA GLU A 182 2.923 8.613 6.976 1.00 1.18 H new ATOM 0 HB2 GLU A 182 3.588 6.540 8.306 1.00 1.25 H new ATOM 0 HB3 GLU A 182 5.247 6.845 7.828 1.00 1.25 H new ATOM 0 HG2 GLU A 182 4.961 7.750 10.018 1.00 1.34 H new ATOM 0 HG3 GLU A 182 5.094 9.104 8.913 1.00 1.34 H new ATOM 2557 N GLN A 183 5.848 8.252 5.529 1.00 1.07 N ATOM 2558 CA GLN A 183 6.968 8.941 4.912 1.00 1.06 C ATOM 2559 C GLN A 183 6.482 9.863 3.812 1.00 1.13 C ATOM 2560 O GLN A 183 6.932 11.002 3.675 1.00 1.22 O ATOM 2561 CB GLN A 183 7.912 7.925 4.296 1.00 1.00 C ATOM 2562 CG GLN A 183 8.406 6.876 5.263 1.00 1.00 C ATOM 2563 CD GLN A 183 9.055 5.730 4.534 1.00 1.04 C ATOM 2564 OE1 GLN A 183 9.634 5.913 3.467 1.00 1.65 O ATOM 2565 NE2 GLN A 183 8.947 4.539 5.085 1.00 0.81 N ATOM 0 H GLN A 183 5.867 7.239 5.408 1.00 1.07 H new ATOM 0 HA GLN A 183 7.478 9.523 5.680 1.00 1.06 H new ATOM 0 HB2 GLN A 183 7.405 7.430 3.468 1.00 1.00 H new ATOM 0 HB3 GLN A 183 8.770 8.450 3.877 1.00 1.00 H new ATOM 0 HG2 GLN A 183 9.120 7.322 5.955 1.00 1.00 H new ATOM 0 HG3 GLN A 183 7.573 6.506 5.860 1.00 1.00 H new ATOM 0 HE21 GLN A 183 8.457 4.430 5.973 1.00 0.81 H new ATOM 0 HE22 GLN A 183 9.353 3.725 4.624 1.00 0.81 H new ATOM 2574 N GLY A 184 5.548 9.352 3.033 1.00 1.16 N ATOM 2575 CA GLY A 184 5.136 10.031 1.836 1.00 1.28 C ATOM 2576 C GLY A 184 5.846 9.465 0.634 1.00 1.23 C ATOM 2577 O GLY A 184 6.305 10.207 -0.235 1.00 1.38 O ATOM 0 H GLY A 184 5.066 8.471 3.213 1.00 1.16 H new ATOM 0 HA2 GLY A 184 4.058 9.932 1.708 1.00 1.28 H new ATOM 0 HA3 GLY A 184 5.350 11.096 1.924 1.00 1.28 H new ATOM 2581 N VAL A 185 5.992 8.143 0.620 1.00 1.10 N ATOM 2582 CA VAL A 185 6.562 7.451 -0.522 1.00 1.08 C ATOM 2583 C VAL A 185 5.589 7.471 -1.695 1.00 1.02 C ATOM 2584 O VAL A 185 4.395 7.205 -1.538 1.00 1.15 O ATOM 2585 CB VAL A 185 6.924 5.982 -0.190 1.00 1.13 C ATOM 2586 CG1 VAL A 185 7.953 5.909 0.920 1.00 1.31 C ATOM 2587 CG2 VAL A 185 5.692 5.191 0.197 1.00 1.14 C ATOM 0 H VAL A 185 5.721 7.532 1.391 1.00 1.10 H new ATOM 0 HA VAL A 185 7.478 7.978 -0.788 1.00 1.08 H new ATOM 0 HB VAL A 185 7.353 5.542 -1.091 1.00 1.13 H new ATOM 0 HG11 VAL A 185 8.187 4.866 1.131 1.00 1.31 H new ATOM 0 HG12 VAL A 185 8.860 6.429 0.610 1.00 1.31 H new ATOM 0 HG13 VAL A 185 7.553 6.380 1.818 1.00 1.31 H new ATOM 0 HG21 VAL A 185 5.976 4.164 0.425 1.00 1.14 H new ATOM 0 HG22 VAL A 185 5.230 5.643 1.075 1.00 1.14 H new ATOM 0 HG23 VAL A 185 4.982 5.196 -0.630 1.00 1.14 H new ATOM 2597 N GLU A 186 6.099 7.787 -2.867 1.00 0.93 N ATOM 2598 CA GLU A 186 5.291 7.808 -4.062 1.00 0.92 C ATOM 2599 C GLU A 186 5.624 6.599 -4.915 1.00 0.83 C ATOM 2600 O GLU A 186 6.691 5.999 -4.779 1.00 0.82 O ATOM 2601 CB GLU A 186 5.520 9.095 -4.854 1.00 1.02 C ATOM 2602 CG GLU A 186 5.134 10.356 -4.103 1.00 1.46 C ATOM 2603 CD GLU A 186 3.645 10.445 -3.864 1.00 2.45 C ATOM 2604 OE1 GLU A 186 2.885 10.601 -4.839 1.00 2.97 O ATOM 2605 OE2 GLU A 186 3.223 10.358 -2.692 1.00 3.02 O ATOM 0 H GLU A 186 7.077 8.034 -3.015 1.00 0.93 H new ATOM 0 HA GLU A 186 4.240 7.774 -3.777 1.00 0.92 H new ATOM 0 HB2 GLU A 186 6.572 9.157 -5.132 1.00 1.02 H new ATOM 0 HB3 GLU A 186 4.948 9.046 -5.781 1.00 1.02 H new ATOM 0 HG2 GLU A 186 5.656 10.381 -3.146 1.00 1.46 H new ATOM 0 HG3 GLU A 186 5.462 11.228 -4.668 1.00 1.46 H new ATOM 2612 N GLU A 187 4.716 6.245 -5.795 1.00 0.89 N ATOM 2613 CA GLU A 187 4.885 5.079 -6.644 1.00 0.91 C ATOM 2614 C GLU A 187 5.757 5.401 -7.859 1.00 0.91 C ATOM 2615 O GLU A 187 5.791 4.645 -8.829 1.00 1.14 O ATOM 2616 CB GLU A 187 3.513 4.582 -7.087 1.00 1.05 C ATOM 2617 CG GLU A 187 2.683 3.989 -5.956 1.00 1.11 C ATOM 2618 CD GLU A 187 1.270 3.633 -6.378 1.00 1.36 C ATOM 2619 OE1 GLU A 187 1.083 3.187 -7.529 1.00 1.72 O ATOM 2620 OE2 GLU A 187 0.339 3.788 -5.566 1.00 1.86 O ATOM 0 H GLU A 187 3.843 6.751 -5.945 1.00 0.89 H new ATOM 0 HA GLU A 187 5.391 4.298 -6.076 1.00 0.91 H new ATOM 0 HB2 GLU A 187 2.963 5.410 -7.534 1.00 1.05 H new ATOM 0 HB3 GLU A 187 3.643 3.829 -7.864 1.00 1.05 H new ATOM 0 HG2 GLU A 187 3.179 3.095 -5.579 1.00 1.11 H new ATOM 0 HG3 GLU A 187 2.641 4.701 -5.132 1.00 1.11 H new ATOM 2627 N HIS A 188 6.490 6.507 -7.788 1.00 0.92 N ATOM 2628 CA HIS A 188 7.279 6.969 -8.925 1.00 0.95 C ATOM 2629 C HIS A 188 8.662 7.465 -8.505 1.00 0.92 C ATOM 2630 O HIS A 188 9.353 8.111 -9.290 1.00 1.01 O ATOM 2631 CB HIS A 188 6.533 8.082 -9.672 1.00 1.04 C ATOM 2632 CG HIS A 188 6.231 9.299 -8.842 1.00 1.03 C ATOM 2633 ND1 HIS A 188 4.982 9.568 -8.335 1.00 1.09 N ATOM 2634 CD2 HIS A 188 7.021 10.330 -8.451 1.00 1.08 C ATOM 2635 CE1 HIS A 188 5.013 10.708 -7.673 1.00 1.14 C ATOM 2636 NE2 HIS A 188 6.236 11.195 -7.729 1.00 1.15 N ATOM 0 H HIS A 188 6.554 7.098 -6.959 1.00 0.92 H new ATOM 0 HA HIS A 188 7.421 6.114 -9.586 1.00 0.95 H new ATOM 0 HB2 HIS A 188 7.127 8.385 -10.534 1.00 1.04 H new ATOM 0 HB3 HIS A 188 5.596 7.679 -10.056 1.00 1.04 H new ATOM 0 HD1 HIS A 188 4.159 8.977 -8.453 1.00 1.09 H new ATOM 0 HD2 HIS A 188 8.072 10.449 -8.667 1.00 1.08 H new ATOM 0 HE1 HIS A 188 4.175 11.166 -7.169 1.00 1.14 H new ATOM 2645 N GLU A 189 9.068 7.169 -7.281 1.00 0.89 N ATOM 2646 CA GLU A 189 10.365 7.627 -6.789 1.00 0.92 C ATOM 2647 C GLU A 189 11.366 6.480 -6.814 1.00 0.78 C ATOM 2648 O GLU A 189 10.986 5.325 -6.611 1.00 0.74 O ATOM 2649 CB GLU A 189 10.237 8.155 -5.366 1.00 1.10 C ATOM 2650 CG GLU A 189 9.003 9.003 -5.127 1.00 1.37 C ATOM 2651 CD GLU A 189 8.849 9.382 -3.670 1.00 1.82 C ATOM 2652 OE1 GLU A 189 8.696 8.479 -2.829 1.00 2.34 O ATOM 2653 OE2 GLU A 189 8.883 10.595 -3.365 1.00 2.38 O ATOM 0 H GLU A 189 8.527 6.620 -6.613 1.00 0.89 H new ATOM 0 HA GLU A 189 10.716 8.430 -7.437 1.00 0.92 H new ATOM 0 HB2 GLU A 189 10.223 7.311 -4.677 1.00 1.10 H new ATOM 0 HB3 GLU A 189 11.122 8.746 -5.128 1.00 1.10 H new ATOM 0 HG2 GLU A 189 9.062 9.907 -5.733 1.00 1.37 H new ATOM 0 HG3 GLU A 189 8.119 8.457 -5.455 1.00 1.37 H new ATOM 2660 N THR A 190 12.630 6.777 -7.106 1.00 0.74 N ATOM 2661 CA THR A 190 13.657 5.746 -7.109 1.00 0.66 C ATOM 2662 C THR A 190 14.214 5.501 -5.708 1.00 0.57 C ATOM 2663 O THR A 190 14.720 6.411 -5.055 1.00 0.61 O ATOM 2664 CB THR A 190 14.800 6.117 -8.070 1.00 0.70 C ATOM 2665 OG1 THR A 190 14.262 6.408 -9.370 1.00 0.81 O ATOM 2666 CG2 THR A 190 15.810 4.985 -8.181 1.00 0.66 C ATOM 0 H THR A 190 12.962 7.712 -7.341 1.00 0.74 H new ATOM 0 HA THR A 190 13.188 4.824 -7.453 1.00 0.66 H new ATOM 0 HB THR A 190 15.309 6.996 -7.673 1.00 0.70 H new ATOM 0 HG1 THR A 190 14.991 6.646 -9.980 1.00 0.81 H new ATOM 0 HG21 THR A 190 16.607 5.274 -8.866 1.00 0.66 H new ATOM 0 HG22 THR A 190 16.234 4.778 -7.198 1.00 0.66 H new ATOM 0 HG23 THR A 190 15.314 4.091 -8.558 1.00 0.66 H new ATOM 2674 N LEU A 191 14.127 4.257 -5.261 1.00 0.48 N ATOM 2675 CA LEU A 191 14.611 3.881 -3.942 1.00 0.42 C ATOM 2676 C LEU A 191 15.798 2.940 -4.120 1.00 0.39 C ATOM 2677 O LEU A 191 15.820 2.146 -5.059 1.00 0.38 O ATOM 2678 CB LEU A 191 13.521 3.176 -3.106 1.00 0.41 C ATOM 2679 CG LEU A 191 12.103 3.785 -3.119 1.00 0.51 C ATOM 2680 CD1 LEU A 191 12.133 5.303 -3.105 1.00 1.01 C ATOM 2681 CD2 LEU A 191 11.304 3.273 -4.307 1.00 0.82 C ATOM 0 H LEU A 191 13.724 3.488 -5.796 1.00 0.48 H new ATOM 0 HA LEU A 191 14.900 4.786 -3.407 1.00 0.42 H new ATOM 0 HB2 LEU A 191 13.447 2.145 -3.452 1.00 0.41 H new ATOM 0 HB3 LEU A 191 13.862 3.141 -2.071 1.00 0.41 H new ATOM 0 HG LEU A 191 11.608 3.463 -2.203 1.00 0.51 H new ATOM 0 HD11 LEU A 191 11.113 5.687 -3.115 1.00 1.01 H new ATOM 0 HD12 LEU A 191 12.642 5.649 -2.205 1.00 1.01 H new ATOM 0 HD13 LEU A 191 12.665 5.665 -3.985 1.00 1.01 H new ATOM 0 HD21 LEU A 191 10.308 3.716 -4.294 1.00 0.82 H new ATOM 0 HD22 LEU A 191 11.811 3.547 -5.232 1.00 0.82 H new ATOM 0 HD23 LEU A 191 11.219 2.188 -4.248 1.00 0.82 H new ATOM 2693 N LEU A 192 16.791 3.026 -3.254 1.00 0.39 N ATOM 2694 CA LEU A 192 17.968 2.184 -3.391 1.00 0.41 C ATOM 2695 C LEU A 192 18.080 1.231 -2.215 1.00 0.40 C ATOM 2696 O LEU A 192 17.804 1.604 -1.071 1.00 0.44 O ATOM 2697 CB LEU A 192 19.240 3.032 -3.454 1.00 0.44 C ATOM 2698 CG LEU A 192 19.111 4.369 -4.180 1.00 0.49 C ATOM 2699 CD1 LEU A 192 20.340 5.217 -3.917 1.00 0.56 C ATOM 2700 CD2 LEU A 192 18.916 4.158 -5.675 1.00 0.50 C ATOM 0 H LEU A 192 16.808 3.662 -2.457 1.00 0.39 H new ATOM 0 HA LEU A 192 17.861 1.619 -4.317 1.00 0.41 H new ATOM 0 HB2 LEU A 192 19.577 3.224 -2.435 1.00 0.44 H new ATOM 0 HB3 LEU A 192 20.020 2.448 -3.943 1.00 0.44 H new ATOM 0 HG LEU A 192 18.233 4.890 -3.799 1.00 0.49 H new ATOM 0 HD11 LEU A 192 20.243 6.170 -4.437 1.00 0.56 H new ATOM 0 HD12 LEU A 192 20.436 5.396 -2.846 1.00 0.56 H new ATOM 0 HD13 LEU A 192 21.226 4.695 -4.278 1.00 0.56 H new ATOM 0 HD21 LEU A 192 18.827 5.125 -6.170 1.00 0.50 H new ATOM 0 HD22 LEU A 192 19.772 3.620 -6.081 1.00 0.50 H new ATOM 0 HD23 LEU A 192 18.009 3.578 -5.845 1.00 0.50 H new ATOM 2712 N LEU A 193 18.458 0.000 -2.500 1.00 0.43 N ATOM 2713 CA LEU A 193 18.774 -0.959 -1.462 1.00 0.50 C ATOM 2714 C LEU A 193 20.257 -0.846 -1.114 1.00 0.47 C ATOM 2715 O LEU A 193 21.115 -0.928 -1.994 1.00 0.49 O ATOM 2716 CB LEU A 193 18.411 -2.372 -1.951 1.00 0.68 C ATOM 2717 CG LEU A 193 18.617 -3.514 -0.951 1.00 0.44 C ATOM 2718 CD1 LEU A 193 17.634 -4.637 -1.227 1.00 1.09 C ATOM 2719 CD2 LEU A 193 20.029 -4.059 -1.039 1.00 1.03 C ATOM 0 H LEU A 193 18.554 -0.360 -3.449 1.00 0.43 H new ATOM 0 HA LEU A 193 18.196 -0.755 -0.560 1.00 0.50 H new ATOM 0 HB2 LEU A 193 17.364 -2.369 -2.255 1.00 0.68 H new ATOM 0 HB3 LEU A 193 19.002 -2.587 -2.842 1.00 0.68 H new ATOM 0 HG LEU A 193 18.450 -3.117 0.050 1.00 0.44 H new ATOM 0 HD11 LEU A 193 17.791 -5.442 -0.509 1.00 1.09 H new ATOM 0 HD12 LEU A 193 16.615 -4.260 -1.133 1.00 1.09 H new ATOM 0 HD13 LEU A 193 17.789 -5.016 -2.237 1.00 1.09 H new ATOM 0 HD21 LEU A 193 20.152 -4.869 -0.320 1.00 1.03 H new ATOM 0 HD22 LEU A 193 20.211 -4.436 -2.045 1.00 1.03 H new ATOM 0 HD23 LEU A 193 20.740 -3.264 -0.815 1.00 1.03 H new ATOM 2731 N ARG A 194 20.557 -0.644 0.161 1.00 0.46 N ATOM 2732 CA ARG A 194 21.930 -0.425 0.601 1.00 0.46 C ATOM 2733 C ARG A 194 22.319 -1.454 1.642 1.00 0.44 C ATOM 2734 O ARG A 194 21.541 -1.754 2.544 1.00 0.49 O ATOM 2735 CB ARG A 194 22.093 0.972 1.199 1.00 0.53 C ATOM 2736 CG ARG A 194 21.976 2.105 0.195 1.00 0.60 C ATOM 2737 CD ARG A 194 23.093 2.078 -0.833 1.00 0.65 C ATOM 2738 NE ARG A 194 24.419 2.047 -0.216 1.00 0.69 N ATOM 2739 CZ ARG A 194 25.536 2.413 -0.846 1.00 0.95 C ATOM 2740 NH1 ARG A 194 25.476 2.899 -2.081 1.00 1.25 N ATOM 2741 NH2 ARG A 194 26.710 2.309 -0.236 1.00 1.06 N ATOM 0 H ARG A 194 19.867 -0.627 0.912 1.00 0.46 H new ATOM 0 HA ARG A 194 22.578 -0.520 -0.270 1.00 0.46 H new ATOM 0 HB2 ARG A 194 21.340 1.112 1.974 1.00 0.53 H new ATOM 0 HB3 ARG A 194 23.066 1.034 1.685 1.00 0.53 H new ATOM 0 HG2 ARG A 194 21.014 2.039 -0.314 1.00 0.60 H new ATOM 0 HG3 ARG A 194 21.993 3.059 0.722 1.00 0.60 H new ATOM 0 HD2 ARG A 194 22.973 1.204 -1.473 1.00 0.65 H new ATOM 0 HD3 ARG A 194 23.014 2.956 -1.474 1.00 0.65 H new ATOM 0 HE ARG A 194 24.493 1.728 0.750 1.00 0.69 H new ATOM 0 HH11 ARG A 194 24.575 2.993 -2.549 1.00 1.25 H new ATOM 0 HH12 ARG A 194 26.331 3.178 -2.561 1.00 1.25 H new ATOM 0 HH21 ARG A 194 26.759 1.948 0.717 1.00 1.06 H new ATOM 0 HH22 ARG A 194 27.563 2.590 -0.720 1.00 1.06 H new ATOM 2755 N ARG A 195 23.523 -1.983 1.529 1.00 0.45 N ATOM 2756 CA ARG A 195 23.987 -2.991 2.460 1.00 0.50 C ATOM 2757 C ARG A 195 24.619 -2.343 3.685 1.00 0.55 C ATOM 2758 O ARG A 195 25.506 -1.497 3.566 1.00 0.64 O ATOM 2759 CB ARG A 195 24.983 -3.930 1.784 1.00 0.59 C ATOM 2760 CG ARG A 195 25.365 -5.107 2.658 1.00 1.02 C ATOM 2761 CD ARG A 195 26.183 -6.132 1.900 1.00 1.07 C ATOM 2762 NE ARG A 195 26.391 -7.335 2.695 1.00 1.49 N ATOM 2763 CZ ARG A 195 26.494 -8.558 2.179 1.00 2.13 C ATOM 2764 NH1 ARG A 195 26.438 -8.747 0.864 1.00 2.34 N ATOM 2765 NH2 ARG A 195 26.664 -9.597 2.974 1.00 2.68 N ATOM 0 H ARG A 195 24.195 -1.732 0.804 1.00 0.45 H new ATOM 0 HA ARG A 195 23.126 -3.575 2.784 1.00 0.50 H new ATOM 0 HB2 ARG A 195 24.553 -4.299 0.853 1.00 0.59 H new ATOM 0 HB3 ARG A 195 25.881 -3.372 1.521 1.00 0.59 H new ATOM 0 HG2 ARG A 195 25.934 -4.752 3.517 1.00 1.02 H new ATOM 0 HG3 ARG A 195 24.462 -5.578 3.047 1.00 1.02 H new ATOM 0 HD2 ARG A 195 25.675 -6.391 0.971 1.00 1.07 H new ATOM 0 HD3 ARG A 195 27.147 -5.702 1.628 1.00 1.07 H new ATOM 0 HE ARG A 195 26.462 -7.234 3.708 1.00 1.49 H new ATOM 0 HH11 ARG A 195 26.315 -7.950 0.239 1.00 2.34 H new ATOM 0 HH12 ARG A 195 26.518 -9.689 0.480 1.00 2.34 H new ATOM 0 HH21 ARG A 195 26.716 -9.463 3.984 1.00 2.68 H new ATOM 0 HH22 ARG A 195 26.743 -10.534 2.579 1.00 2.68 H new ATOM 2779 N LYS A 196 24.146 -2.735 4.856 1.00 0.60 N ATOM 2780 CA LYS A 196 24.685 -2.227 6.105 1.00 0.69 C ATOM 2781 C LYS A 196 25.523 -3.297 6.799 1.00 0.76 C ATOM 2782 O LYS A 196 26.648 -3.042 7.228 1.00 0.88 O ATOM 2783 CB LYS A 196 23.554 -1.768 7.033 1.00 0.75 C ATOM 2784 CG LYS A 196 24.026 -1.406 8.436 1.00 0.88 C ATOM 2785 CD LYS A 196 22.865 -1.055 9.355 1.00 1.28 C ATOM 2786 CE LYS A 196 22.263 0.300 9.025 1.00 1.65 C ATOM 2787 NZ LYS A 196 23.239 1.407 9.221 1.00 2.15 N ATOM 0 H LYS A 196 23.386 -3.407 4.967 1.00 0.60 H new ATOM 0 HA LYS A 196 25.322 -1.372 5.878 1.00 0.69 H new ATOM 0 HB2 LYS A 196 23.060 -0.903 6.590 1.00 0.75 H new ATOM 0 HB3 LYS A 196 22.808 -2.560 7.102 1.00 0.75 H new ATOM 0 HG2 LYS A 196 24.583 -2.243 8.858 1.00 0.88 H new ATOM 0 HG3 LYS A 196 24.713 -0.561 8.381 1.00 0.88 H new ATOM 0 HD2 LYS A 196 22.095 -1.822 9.275 1.00 1.28 H new ATOM 0 HD3 LYS A 196 23.209 -1.056 10.389 1.00 1.28 H new ATOM 0 HE2 LYS A 196 21.917 0.301 7.991 1.00 1.65 H new ATOM 0 HE3 LYS A 196 21.389 0.471 9.654 1.00 1.65 H new ATOM 0 HZ1 LYS A 196 22.729 2.309 9.303 1.00 2.15 H new ATOM 0 HZ2 LYS A 196 23.786 1.238 10.090 1.00 2.15 H new ATOM 0 HZ3 LYS A 196 23.886 1.448 8.407 1.00 2.15 H new ATOM 2801 N PHE A 197 24.972 -4.501 6.892 1.00 0.77 N ATOM 2802 CA PHE A 197 25.623 -5.583 7.616 1.00 0.89 C ATOM 2803 C PHE A 197 26.488 -6.431 6.694 1.00 0.96 C ATOM 2804 O PHE A 197 26.216 -6.559 5.496 1.00 0.92 O ATOM 2805 CB PHE A 197 24.590 -6.488 8.288 1.00 0.95 C ATOM 2806 CG PHE A 197 23.746 -5.817 9.337 1.00 0.94 C ATOM 2807 CD1 PHE A 197 22.587 -5.144 8.992 1.00 0.92 C ATOM 2808 CD2 PHE A 197 24.134 -5.834 10.663 1.00 1.14 C ATOM 2809 CE1 PHE A 197 21.834 -4.498 9.955 1.00 0.95 C ATOM 2810 CE2 PHE A 197 23.390 -5.196 11.628 1.00 1.19 C ATOM 2811 CZ PHE A 197 22.139 -4.632 11.268 1.00 1.03 C ATOM 0 H PHE A 197 24.076 -4.752 6.475 1.00 0.77 H new ATOM 0 HA PHE A 197 26.256 -5.120 8.373 1.00 0.89 H new ATOM 0 HB2 PHE A 197 23.933 -6.897 7.521 1.00 0.95 H new ATOM 0 HB3 PHE A 197 25.109 -7.331 8.745 1.00 0.95 H new ATOM 0 HD1 PHE A 197 22.268 -5.123 7.961 1.00 0.92 H new ATOM 0 HD2 PHE A 197 25.036 -6.357 10.946 1.00 1.14 H new ATOM 0 HE1 PHE A 197 20.997 -3.883 9.659 1.00 0.95 H new ATOM 0 HE2 PHE A 197 23.752 -5.126 12.643 1.00 1.19 H new ATOM 0 HZ PHE A 197 21.441 -4.315 12.029 1.00 1.03 H new