USER MOD reduce.3.24.130724 H: found=0, std=0, add=1370, rem=0, adj=45 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 161:sc= 0 (180deg=0) USER MOD Set 1.2: A 188 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-2.4!) USER MOD Set 2.1: A 116 CYS SG : rot 120:sc= -7.28! USER MOD Set 2.2: A 124 HIS : no HD1:sc= -5.35! C(o=-13!,f=-15!) USER MOD Set 3.1: A 106 LYS NZ :NH3+ -152:sc= 0.924 (180deg=0.0967) USER MOD Set 3.2: A 114 THR OG1 : rot 67:sc= 0.859 USER MOD Set 4.1: A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 101 MET CE :methyl -162:sc= -4.05! (180deg=-5.98!) USER MOD Set 5.1: A 29 CYS SG : rot 180:sc= 1.54 USER MOD Set 5.2: A 81 TYR OH : rot 2:sc= 1.35 USER MOD Set 6.1: A 5 SER OG : rot 110:sc= 1.19 USER MOD Set 6.2: A 75 ASN : amide:sc= 1.21 K(o=2.4,f=-3.8) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0554 USER MOD Single : A 12 ASN : amide:sc= -0.0347 X(o=-0.035,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 170:sc= 1.19 (180deg=0.895) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -151:sc= -0.271 (180deg=-0.812) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 85:sc= -0.142 USER MOD Single : A 24 MET CE :methyl 173:sc= -0.0244 (180deg=-0.0655) USER MOD Single : A 26 TYR OH : rot -141:sc= 1.23 USER MOD Single : A 31 MET CE :methyl 173:sc= -2.65 (180deg=-2.74) USER MOD Single : A 45 ASN : amide:sc= -0.0344 X(o=-0.034,f=-0.39) USER MOD Single : A 52 SER OG : rot 180:sc= -0.296 USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 1.19 (180deg=0.808) USER MOD Single : A 58 LYS NZ :NH3+ 145:sc= 1.24 (180deg=0.966) USER MOD Single : A 66 LYS NZ :NH3+ -150:sc= 0.977 (180deg=-1.15!) 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 -162:sc= -0.0877 (180deg=-0.551) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 141:sc= -2.66 (180deg=-5.54!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.782 K(o=-0.78,f=-0.057) USER MOD Single : A 89 LYS NZ :NH3+ 170:sc= 0.355 (180deg=0.153) USER MOD Single : A 92 MET CE :methyl 172:sc= -3.48! (180deg=-3.98!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 139:sc= -2.76! (180deg=-5.1!) USER MOD Single : A 99 THR OG1 : rot 180:sc=-0.00828 USER MOD Single : A 105 SER OG : rot 130:sc= -0.461 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 109 THR OG1 : rot 180:sc= -2.01! USER MOD Single : A 111 MET CE :methyl -150:sc= -4.2! (180deg=-6.02!) USER MOD Single : A 113 MET CE :methyl -140:sc= -0.386 (180deg=-1.75) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= 0.536 K(o=0.54,f=-0.87) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 128:sc= -0.0236 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ -156:sc= 1.79 (180deg=0.804) USER MOD Single : A 172 ASN : amide:sc= -0.419 X(o=-0.42,f=-0.46) USER MOD Single : A 176 HIS : no HE2:sc= -5.65! C(o=-5.7!,f=-9.4!) USER MOD Single : A 179 THR OG1 : rot 180:sc= 0.518 USER MOD Single : A 183 GLN : amide:sc= -5.44! C(o=-5.4!,f=-6.7!) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ 165:sc= -0.0493 (180deg=-0.303) USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 2 -29.835 0.956 7.009 1.00 1.00 N ATOM 107 CA VAL A 2 -28.547 1.421 7.479 1.00 0.98 C ATOM 108 C VAL A 2 -27.476 0.874 6.553 1.00 0.79 C ATOM 109 O VAL A 2 -26.920 -0.197 6.778 1.00 0.92 O ATOM 110 CB VAL A 2 -28.231 0.997 8.935 1.00 1.21 C ATOM 111 CG1 VAL A 2 -28.988 1.861 9.929 1.00 1.56 C ATOM 112 CG2 VAL A 2 -28.553 -0.474 9.157 1.00 1.32 C ATOM 0 HA VAL A 2 -28.570 2.511 7.473 1.00 0.98 H new ATOM 0 HB VAL A 2 -27.163 1.142 9.098 1.00 1.21 H new ATOM 0 HG11 VAL A 2 -28.749 1.543 10.944 1.00 1.56 H new ATOM 0 HG12 VAL A 2 -28.700 2.904 9.798 1.00 1.56 H new ATOM 0 HG13 VAL A 2 -30.060 1.757 9.759 1.00 1.56 H new ATOM 0 HG21 VAL A 2 -28.322 -0.746 10.187 1.00 1.32 H new ATOM 0 HG22 VAL A 2 -29.612 -0.648 8.965 1.00 1.32 H new ATOM 0 HG23 VAL A 2 -27.956 -1.084 8.478 1.00 1.32 H new ATOM 122 N ALA A 3 -27.248 1.572 5.469 1.00 0.66 N ATOM 123 CA ALA A 3 -26.233 1.180 4.527 1.00 0.55 C ATOM 124 C ALA A 3 -25.375 2.374 4.199 1.00 0.60 C ATOM 125 O ALA A 3 -25.829 3.515 4.249 1.00 1.10 O ATOM 126 CB ALA A 3 -26.852 0.584 3.270 1.00 0.63 C ATOM 0 H ALA A 3 -27.756 2.420 5.217 1.00 0.66 H new ATOM 0 HA ALA A 3 -25.610 0.406 4.974 1.00 0.55 H new ATOM 0 HB1 ALA A 3 -26.062 0.297 2.576 1.00 0.63 H new ATOM 0 HB2 ALA A 3 -27.439 -0.295 3.535 1.00 0.63 H new ATOM 0 HB3 ALA A 3 -27.499 1.323 2.797 1.00 0.63 H new ATOM 132 N LEU A 4 -24.140 2.108 3.870 1.00 0.45 N ATOM 133 CA LEU A 4 -23.174 3.151 3.626 1.00 0.41 C ATOM 134 C LEU A 4 -22.869 3.227 2.143 1.00 0.39 C ATOM 135 O LEU A 4 -22.507 2.230 1.524 1.00 0.38 O ATOM 136 CB LEU A 4 -21.897 2.886 4.429 1.00 0.41 C ATOM 137 CG LEU A 4 -21.872 3.461 5.855 1.00 0.56 C ATOM 138 CD1 LEU A 4 -23.075 3.018 6.666 1.00 1.16 C ATOM 139 CD2 LEU A 4 -20.596 3.048 6.559 1.00 1.46 C ATOM 0 H LEU A 4 -23.772 1.163 3.763 1.00 0.45 H new ATOM 0 HA LEU A 4 -23.587 4.107 3.948 1.00 0.41 H new ATOM 0 HB2 LEU A 4 -21.745 1.808 4.489 1.00 0.41 H new ATOM 0 HB3 LEU A 4 -21.051 3.297 3.877 1.00 0.41 H new ATOM 0 HG LEU A 4 -21.910 4.547 5.772 1.00 0.56 H new ATOM 0 HD11 LEU A 4 -23.017 3.447 7.666 1.00 1.16 H new ATOM 0 HD12 LEU A 4 -23.988 3.358 6.178 1.00 1.16 H new ATOM 0 HD13 LEU A 4 -23.085 1.930 6.737 1.00 1.16 H new ATOM 0 HD21 LEU A 4 -20.587 3.460 7.568 1.00 1.46 H new ATOM 0 HD22 LEU A 4 -20.545 1.960 6.611 1.00 1.46 H new ATOM 0 HD23 LEU A 4 -19.736 3.426 6.006 1.00 1.46 H new ATOM 151 N SER A 5 -23.009 4.413 1.583 1.00 0.41 N ATOM 152 CA SER A 5 -22.764 4.610 0.167 1.00 0.42 C ATOM 153 C SER A 5 -21.328 5.053 -0.018 1.00 0.37 C ATOM 154 O SER A 5 -20.988 6.218 0.213 1.00 0.42 O ATOM 155 CB SER A 5 -23.736 5.631 -0.432 1.00 0.51 C ATOM 156 OG SER A 5 -25.079 5.193 -0.323 1.00 1.28 O ATOM 0 H SER A 5 -23.291 5.254 2.086 1.00 0.41 H new ATOM 0 HA SER A 5 -22.929 3.671 -0.361 1.00 0.42 H new ATOM 0 HB2 SER A 5 -23.621 6.587 0.078 1.00 0.51 H new ATOM 0 HB3 SER A 5 -23.490 5.798 -1.481 1.00 0.51 H new ATOM 0 HG SER A 5 -25.549 5.742 0.339 1.00 1.28 H new ATOM 162 N LEU A 6 -20.483 4.110 -0.390 1.00 0.31 N ATOM 163 CA LEU A 6 -19.061 4.358 -0.474 1.00 0.28 C ATOM 164 C LEU A 6 -18.626 4.357 -1.927 1.00 0.28 C ATOM 165 O LEU A 6 -18.892 3.405 -2.665 1.00 0.31 O ATOM 166 CB LEU A 6 -18.299 3.291 0.320 1.00 0.26 C ATOM 167 CG LEU A 6 -18.791 3.088 1.757 1.00 0.33 C ATOM 168 CD1 LEU A 6 -18.009 1.983 2.446 1.00 0.61 C ATOM 169 CD2 LEU A 6 -18.693 4.383 2.548 1.00 0.62 C ATOM 0 H LEU A 6 -20.761 3.161 -0.640 1.00 0.31 H new ATOM 0 HA LEU A 6 -18.837 5.334 -0.045 1.00 0.28 H new ATOM 0 HB2 LEU A 6 -18.371 2.342 -0.211 1.00 0.26 H new ATOM 0 HB3 LEU A 6 -17.244 3.562 0.347 1.00 0.26 H new ATOM 0 HG LEU A 6 -19.838 2.789 1.715 1.00 0.33 H new ATOM 0 HD11 LEU A 6 -18.377 1.858 3.464 1.00 0.61 H new ATOM 0 HD12 LEU A 6 -18.137 1.050 1.897 1.00 0.61 H new ATOM 0 HD13 LEU A 6 -16.952 2.247 2.472 1.00 0.61 H new ATOM 0 HD21 LEU A 6 -19.047 4.216 3.565 1.00 0.62 H new ATOM 0 HD22 LEU A 6 -17.655 4.715 2.575 1.00 0.62 H new ATOM 0 HD23 LEU A 6 -19.306 5.148 2.071 1.00 0.62 H new ATOM 181 N LYS A 7 -17.986 5.431 -2.348 1.00 0.29 N ATOM 182 CA LYS A 7 -17.528 5.521 -3.718 1.00 0.31 C ATOM 183 C LYS A 7 -16.250 4.740 -3.887 1.00 0.29 C ATOM 184 O LYS A 7 -15.255 4.994 -3.217 1.00 0.31 O ATOM 185 CB LYS A 7 -17.327 6.963 -4.157 1.00 0.39 C ATOM 186 CG LYS A 7 -18.612 7.761 -4.180 1.00 0.52 C ATOM 187 CD LYS A 7 -18.562 8.844 -5.235 1.00 0.63 C ATOM 188 CE LYS A 7 -18.696 8.276 -6.635 1.00 0.94 C ATOM 189 NZ LYS A 7 -18.475 9.316 -7.672 1.00 1.72 N ATOM 0 H LYS A 7 -17.774 6.243 -1.768 1.00 0.29 H new ATOM 0 HA LYS A 7 -18.302 5.092 -4.354 1.00 0.31 H new ATOM 0 HB2 LYS A 7 -16.618 7.446 -3.484 1.00 0.39 H new ATOM 0 HB3 LYS A 7 -16.881 6.975 -5.152 1.00 0.39 H new ATOM 0 HG2 LYS A 7 -19.453 7.096 -4.377 1.00 0.52 H new ATOM 0 HG3 LYS A 7 -18.782 8.210 -3.201 1.00 0.52 H new ATOM 0 HD2 LYS A 7 -19.362 9.562 -5.056 1.00 0.63 H new ATOM 0 HD3 LYS A 7 -17.621 9.388 -5.152 1.00 0.63 H new ATOM 0 HE2 LYS A 7 -17.977 7.468 -6.771 1.00 0.94 H new ATOM 0 HE3 LYS A 7 -19.689 7.843 -6.759 1.00 0.94 H new ATOM 0 HZ1 LYS A 7 -18.574 8.891 -8.616 1.00 1.72 H new ATOM 0 HZ2 LYS A 7 -19.177 10.075 -7.558 1.00 1.72 H new ATOM 0 HZ3 LYS A 7 -17.518 9.711 -7.569 1.00 1.72 H new ATOM 203 N ILE A 8 -16.292 3.794 -4.788 1.00 0.28 N ATOM 204 CA ILE A 8 -15.182 2.885 -4.986 1.00 0.28 C ATOM 205 C ILE A 8 -14.322 3.339 -6.152 1.00 0.31 C ATOM 206 O ILE A 8 -14.682 3.158 -7.316 1.00 0.34 O ATOM 207 CB ILE A 8 -15.662 1.438 -5.232 1.00 0.33 C ATOM 208 CG1 ILE A 8 -16.533 0.949 -4.067 1.00 0.58 C ATOM 209 CG2 ILE A 8 -14.473 0.510 -5.441 1.00 0.32 C ATOM 210 CD1 ILE A 8 -15.823 0.935 -2.729 1.00 0.51 C ATOM 0 H ILE A 8 -17.088 3.628 -5.404 1.00 0.28 H new ATOM 0 HA ILE A 8 -14.590 2.897 -4.071 1.00 0.28 H new ATOM 0 HB ILE A 8 -16.269 1.428 -6.137 1.00 0.33 H new ATOM 0 HG12 ILE A 8 -17.413 1.587 -3.993 1.00 0.58 H new ATOM 0 HG13 ILE A 8 -16.887 -0.058 -4.289 1.00 0.58 H new ATOM 0 HG21 ILE A 8 -14.830 -0.505 -5.613 1.00 0.32 H new ATOM 0 HG22 ILE A 8 -13.898 0.844 -6.305 1.00 0.32 H new ATOM 0 HG23 ILE A 8 -13.838 0.526 -4.555 1.00 0.32 H new ATOM 0 HD11 ILE A 8 -16.506 0.577 -1.958 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -14.958 0.274 -2.783 1.00 0.51 H new ATOM 0 HD13 ILE A 8 -15.493 1.944 -2.482 1.00 0.51 H new ATOM 222 N SER A 9 -13.202 3.956 -5.835 1.00 0.33 N ATOM 223 CA SER A 9 -12.261 4.379 -6.851 1.00 0.39 C ATOM 224 C SER A 9 -11.263 3.262 -7.127 1.00 0.37 C ATOM 225 O SER A 9 -10.490 2.881 -6.252 1.00 0.45 O ATOM 226 CB SER A 9 -11.548 5.655 -6.398 1.00 0.46 C ATOM 227 OG SER A 9 -11.097 5.537 -5.061 1.00 1.48 O ATOM 0 H SER A 9 -12.921 4.176 -4.879 1.00 0.33 H new ATOM 0 HA SER A 9 -12.795 4.596 -7.776 1.00 0.39 H new ATOM 0 HB2 SER A 9 -10.701 5.855 -7.055 1.00 0.46 H new ATOM 0 HB3 SER A 9 -12.226 6.504 -6.483 1.00 0.46 H new ATOM 0 HG SER A 9 -10.643 6.364 -4.795 1.00 1.48 H new ATOM 233 N ILE A 10 -11.304 2.710 -8.326 1.00 0.40 N ATOM 234 CA ILE A 10 -10.390 1.642 -8.693 1.00 0.42 C ATOM 235 C ILE A 10 -9.362 2.171 -9.687 1.00 0.50 C ATOM 236 O ILE A 10 -9.541 2.078 -10.902 1.00 0.53 O ATOM 237 CB ILE A 10 -11.141 0.430 -9.291 1.00 0.40 C ATOM 238 CG1 ILE A 10 -12.282 0.006 -8.357 1.00 0.38 C ATOM 239 CG2 ILE A 10 -10.181 -0.731 -9.521 1.00 0.45 C ATOM 240 CD1 ILE A 10 -13.166 -1.091 -8.914 1.00 0.43 C ATOM 0 H ILE A 10 -11.958 2.982 -9.060 1.00 0.40 H new ATOM 0 HA ILE A 10 -9.884 1.300 -7.790 1.00 0.42 H new ATOM 0 HB ILE A 10 -11.565 0.720 -10.253 1.00 0.40 H new ATOM 0 HG12 ILE A 10 -11.856 -0.331 -7.412 1.00 0.38 H new ATOM 0 HG13 ILE A 10 -12.899 0.877 -8.137 1.00 0.38 H new ATOM 0 HG21 ILE A 10 -10.726 -1.576 -9.942 1.00 0.45 H new ATOM 0 HG22 ILE A 10 -9.397 -0.423 -10.213 1.00 0.45 H new ATOM 0 HG23 ILE A 10 -9.732 -1.025 -8.572 1.00 0.45 H new ATOM 0 HD11 ILE A 10 -13.946 -1.331 -8.192 1.00 0.43 H new ATOM 0 HD12 ILE A 10 -13.623 -0.753 -9.844 1.00 0.43 H new ATOM 0 HD13 ILE A 10 -12.565 -1.979 -9.108 1.00 0.43 H new ATOM 252 N GLY A 11 -8.303 2.764 -9.157 1.00 0.59 N ATOM 253 CA GLY A 11 -7.310 3.398 -9.999 1.00 0.68 C ATOM 254 C GLY A 11 -7.761 4.771 -10.454 1.00 0.75 C ATOM 255 O GLY A 11 -7.456 5.776 -9.814 1.00 0.96 O ATOM 0 H GLY A 11 -8.113 2.818 -8.156 1.00 0.59 H new ATOM 0 HA2 GLY A 11 -6.371 3.485 -9.453 1.00 0.68 H new ATOM 0 HA3 GLY A 11 -7.116 2.771 -10.869 1.00 0.68 H new ATOM 259 N ASN A 12 -8.496 4.811 -11.554 1.00 0.75 N ATOM 260 CA ASN A 12 -9.041 6.063 -12.070 1.00 0.90 C ATOM 261 C ASN A 12 -10.561 5.983 -12.158 1.00 0.84 C ATOM 262 O ASN A 12 -11.262 6.966 -11.909 1.00 1.09 O ATOM 263 CB ASN A 12 -8.441 6.383 -13.446 1.00 1.09 C ATOM 264 CG ASN A 12 -9.093 7.582 -14.115 1.00 1.77 C ATOM 265 OD1 ASN A 12 -8.710 8.730 -13.881 1.00 2.62 O ATOM 266 ND2 ASN A 12 -10.067 7.321 -14.974 1.00 2.17 N ATOM 0 H ASN A 12 -8.731 3.989 -12.111 1.00 0.75 H new ATOM 0 HA ASN A 12 -8.775 6.866 -11.383 1.00 0.90 H new ATOM 0 HB2 ASN A 12 -7.373 6.572 -13.335 1.00 1.09 H new ATOM 0 HB3 ASN A 12 -8.545 5.512 -14.093 1.00 1.09 H new ATOM 0 HD21 ASN A 12 -10.528 8.084 -15.469 1.00 2.17 H new ATOM 0 HD22 ASN A 12 -10.355 6.357 -15.140 1.00 2.17 H new ATOM 273 N VAL A 13 -11.062 4.803 -12.504 1.00 0.65 N ATOM 274 CA VAL A 13 -12.497 4.581 -12.628 1.00 0.61 C ATOM 275 C VAL A 13 -13.168 4.652 -11.254 1.00 0.53 C ATOM 276 O VAL A 13 -12.533 4.395 -10.227 1.00 0.50 O ATOM 277 CB VAL A 13 -12.789 3.214 -13.298 1.00 0.61 C ATOM 278 CG1 VAL A 13 -12.336 2.061 -12.415 1.00 0.55 C ATOM 279 CG2 VAL A 13 -14.261 3.076 -13.651 1.00 0.65 C ATOM 0 H VAL A 13 -10.492 3.981 -12.705 1.00 0.65 H new ATOM 0 HA VAL A 13 -12.909 5.367 -13.261 1.00 0.61 H new ATOM 0 HB VAL A 13 -12.216 3.175 -14.225 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -12.554 1.115 -12.911 1.00 0.55 H new ATOM 0 HG12 VAL A 13 -11.263 2.139 -12.237 1.00 0.55 H new ATOM 0 HG13 VAL A 13 -12.866 2.102 -11.463 1.00 0.55 H new ATOM 0 HG21 VAL A 13 -14.434 2.107 -14.119 1.00 0.65 H new ATOM 0 HG22 VAL A 13 -14.861 3.153 -12.744 1.00 0.65 H new ATOM 0 HG23 VAL A 13 -14.545 3.869 -14.343 1.00 0.65 H new ATOM 289 N VAL A 14 -14.447 4.997 -11.234 1.00 0.51 N ATOM 290 CA VAL A 14 -15.178 5.097 -9.984 1.00 0.46 C ATOM 291 C VAL A 14 -16.503 4.345 -10.077 1.00 0.41 C ATOM 292 O VAL A 14 -17.299 4.555 -10.999 1.00 0.45 O ATOM 293 CB VAL A 14 -15.420 6.568 -9.554 1.00 0.53 C ATOM 294 CG1 VAL A 14 -16.326 7.302 -10.534 1.00 0.62 C ATOM 295 CG2 VAL A 14 -15.991 6.623 -8.141 1.00 0.50 C ATOM 0 H VAL A 14 -14.996 5.211 -12.066 1.00 0.51 H new ATOM 0 HA VAL A 14 -14.558 4.636 -9.215 1.00 0.46 H new ATOM 0 HB VAL A 14 -14.456 7.078 -9.561 1.00 0.53 H new ATOM 0 HG11 VAL A 14 -16.471 8.328 -10.197 1.00 0.62 H new ATOM 0 HG12 VAL A 14 -15.866 7.306 -11.522 1.00 0.62 H new ATOM 0 HG13 VAL A 14 -17.291 6.798 -10.585 1.00 0.62 H new ATOM 0 HG21 VAL A 14 -16.155 7.662 -7.855 1.00 0.50 H new ATOM 0 HG22 VAL A 14 -16.938 6.084 -8.110 1.00 0.50 H new ATOM 0 HG23 VAL A 14 -15.289 6.162 -7.447 1.00 0.50 H new ATOM 305 N LYS A 15 -16.712 3.439 -9.140 1.00 0.39 N ATOM 306 CA LYS A 15 -17.933 2.658 -9.078 1.00 0.41 C ATOM 307 C LYS A 15 -18.589 2.847 -7.722 1.00 0.35 C ATOM 308 O LYS A 15 -17.908 3.032 -6.720 1.00 0.31 O ATOM 309 CB LYS A 15 -17.640 1.181 -9.349 1.00 0.50 C ATOM 310 CG LYS A 15 -17.182 0.920 -10.776 1.00 0.67 C ATOM 311 CD LYS A 15 -18.279 1.264 -11.772 1.00 0.80 C ATOM 312 CE LYS A 15 -17.751 1.363 -13.195 1.00 1.02 C ATOM 313 NZ LYS A 15 -17.071 0.120 -13.636 1.00 1.28 N ATOM 0 H LYS A 15 -16.042 3.224 -8.402 1.00 0.39 H new ATOM 0 HA LYS A 15 -18.621 3.004 -9.849 1.00 0.41 H new ATOM 0 HB2 LYS A 15 -16.872 0.835 -8.657 1.00 0.50 H new ATOM 0 HB3 LYS A 15 -18.537 0.595 -9.148 1.00 0.50 H new ATOM 0 HG2 LYS A 15 -16.292 1.512 -10.990 1.00 0.67 H new ATOM 0 HG3 LYS A 15 -16.901 -0.128 -10.886 1.00 0.67 H new ATOM 0 HD2 LYS A 15 -19.059 0.504 -11.728 1.00 0.80 H new ATOM 0 HD3 LYS A 15 -18.740 2.211 -11.490 1.00 0.80 H new ATOM 0 HE2 LYS A 15 -18.577 1.581 -13.871 1.00 1.02 H new ATOM 0 HE3 LYS A 15 -17.054 2.198 -13.263 1.00 1.02 H new ATOM 0 HZ1 LYS A 15 -16.880 0.172 -14.657 1.00 1.28 H new ATOM 0 HZ2 LYS A 15 -16.174 0.014 -13.121 1.00 1.28 H new ATOM 0 HZ3 LYS A 15 -17.682 -0.698 -13.439 1.00 1.28 H new ATOM 327 N THR A 16 -19.901 2.830 -7.692 1.00 0.38 N ATOM 328 CA THR A 16 -20.622 3.125 -6.470 1.00 0.37 C ATOM 329 C THR A 16 -21.203 1.855 -5.856 1.00 0.35 C ATOM 330 O THR A 16 -22.000 1.154 -6.483 1.00 0.39 O ATOM 331 CB THR A 16 -21.740 4.154 -6.726 1.00 0.45 C ATOM 332 OG1 THR A 16 -21.178 5.337 -7.314 1.00 0.50 O ATOM 333 CG2 THR A 16 -22.456 4.521 -5.433 1.00 0.45 C ATOM 0 H THR A 16 -20.492 2.616 -8.495 1.00 0.38 H new ATOM 0 HA THR A 16 -19.912 3.554 -5.763 1.00 0.37 H new ATOM 0 HB THR A 16 -22.466 3.708 -7.406 1.00 0.45 H new ATOM 0 HG1 THR A 16 -21.890 5.990 -7.478 1.00 0.50 H new ATOM 0 HG21 THR A 16 -23.239 5.249 -5.645 1.00 0.45 H new ATOM 0 HG22 THR A 16 -22.900 3.626 -4.996 1.00 0.45 H new ATOM 0 HG23 THR A 16 -21.742 4.951 -4.731 1.00 0.45 H new ATOM 341 N MET A 17 -20.792 1.558 -4.632 1.00 0.31 N ATOM 342 CA MET A 17 -21.261 0.378 -3.925 1.00 0.32 C ATOM 343 C MET A 17 -21.701 0.760 -2.527 1.00 0.32 C ATOM 344 O MET A 17 -21.162 1.693 -1.930 1.00 0.31 O ATOM 345 CB MET A 17 -20.164 -0.691 -3.855 1.00 0.34 C ATOM 346 CG MET A 17 -20.247 -1.741 -4.951 1.00 0.44 C ATOM 347 SD MET A 17 -21.511 -2.996 -4.632 1.00 1.04 S ATOM 348 CE MET A 17 -20.866 -3.788 -3.153 1.00 0.40 C ATOM 0 H MET A 17 -20.128 2.125 -4.105 1.00 0.31 H new ATOM 0 HA MET A 17 -22.108 -0.038 -4.471 1.00 0.32 H new ATOM 0 HB2 MET A 17 -19.191 -0.202 -3.909 1.00 0.34 H new ATOM 0 HB3 MET A 17 -20.218 -1.188 -2.886 1.00 0.34 H new ATOM 0 HG2 MET A 17 -20.461 -1.251 -5.901 1.00 0.44 H new ATOM 0 HG3 MET A 17 -19.277 -2.228 -5.055 1.00 0.44 H new ATOM 0 HE1 MET A 17 -21.191 -4.828 -3.126 1.00 0.40 H new ATOM 0 HE2 MET A 17 -19.777 -3.749 -3.165 1.00 0.40 H new ATOM 0 HE3 MET A 17 -21.238 -3.268 -2.270 1.00 0.40 H new ATOM 358 N GLN A 18 -22.689 0.060 -2.015 1.00 0.36 N ATOM 359 CA GLN A 18 -23.125 0.272 -0.654 1.00 0.37 C ATOM 360 C GLN A 18 -22.788 -0.925 0.204 1.00 0.35 C ATOM 361 O GLN A 18 -22.892 -2.071 -0.232 1.00 0.38 O ATOM 362 CB GLN A 18 -24.613 0.590 -0.608 1.00 0.44 C ATOM 363 CG GLN A 18 -24.882 2.067 -0.800 1.00 0.49 C ATOM 364 CD GLN A 18 -26.287 2.363 -1.256 1.00 0.59 C ATOM 365 OE1 GLN A 18 -27.203 2.520 -0.447 1.00 0.92 O ATOM 366 NE2 GLN A 18 -26.460 2.461 -2.562 1.00 0.60 N ATOM 0 H GLN A 18 -23.205 -0.660 -2.521 1.00 0.36 H new ATOM 0 HA GLN A 18 -22.592 1.132 -0.249 1.00 0.37 H new ATOM 0 HB2 GLN A 18 -25.129 0.023 -1.383 1.00 0.44 H new ATOM 0 HB3 GLN A 18 -25.023 0.268 0.349 1.00 0.44 H new ATOM 0 HG2 GLN A 18 -24.695 2.588 0.139 1.00 0.49 H new ATOM 0 HG3 GLN A 18 -24.179 2.465 -1.531 1.00 0.49 H new ATOM 0 HE21 GLN A 18 -25.671 2.323 -3.193 1.00 0.60 H new ATOM 0 HE22 GLN A 18 -27.383 2.675 -2.940 1.00 0.60 H new ATOM 375 N PHE A 19 -22.370 -0.642 1.419 1.00 0.34 N ATOM 376 CA PHE A 19 -21.939 -1.656 2.353 1.00 0.33 C ATOM 377 C PHE A 19 -22.657 -1.430 3.663 1.00 0.37 C ATOM 378 O PHE A 19 -23.162 -0.337 3.910 1.00 0.40 O ATOM 379 CB PHE A 19 -20.426 -1.565 2.584 1.00 0.29 C ATOM 380 CG PHE A 19 -19.596 -1.839 1.364 1.00 0.27 C ATOM 381 CD1 PHE A 19 -19.274 -0.814 0.495 1.00 0.30 C ATOM 382 CD2 PHE A 19 -19.142 -3.118 1.087 1.00 0.33 C ATOM 383 CE1 PHE A 19 -18.512 -1.058 -0.633 1.00 0.31 C ATOM 384 CE2 PHE A 19 -18.379 -3.370 -0.037 1.00 0.36 C ATOM 385 CZ PHE A 19 -18.056 -2.353 -0.891 1.00 0.31 C ATOM 0 H PHE A 19 -22.320 0.308 1.788 1.00 0.34 H new ATOM 0 HA PHE A 19 -22.170 -2.643 1.951 1.00 0.33 H new ATOM 0 HB2 PHE A 19 -20.187 -0.569 2.955 1.00 0.29 H new ATOM 0 HB3 PHE A 19 -20.147 -2.272 3.365 1.00 0.29 H new ATOM 0 HD1 PHE A 19 -19.621 0.188 0.699 1.00 0.30 H new ATOM 0 HD2 PHE A 19 -19.387 -3.928 1.758 1.00 0.33 H new ATOM 0 HE1 PHE A 19 -18.271 -0.252 -1.310 1.00 0.31 H new ATOM 0 HE2 PHE A 19 -18.037 -4.374 -0.241 1.00 0.36 H new ATOM 0 HZ PHE A 19 -17.450 -2.550 -1.763 1.00 0.31 H new ATOM 395 N GLU A 20 -22.728 -2.448 4.488 1.00 0.39 N ATOM 396 CA GLU A 20 -23.277 -2.288 5.816 1.00 0.43 C ATOM 397 C GLU A 20 -22.319 -1.453 6.660 1.00 0.44 C ATOM 398 O GLU A 20 -21.120 -1.421 6.387 1.00 0.47 O ATOM 399 CB GLU A 20 -23.496 -3.650 6.464 1.00 0.50 C ATOM 400 CG GLU A 20 -24.336 -4.591 5.623 1.00 0.61 C ATOM 401 CD GLU A 20 -24.534 -5.928 6.299 1.00 0.90 C ATOM 402 OE1 GLU A 20 -23.605 -6.759 6.256 1.00 1.06 O ATOM 403 OE2 GLU A 20 -25.628 -6.161 6.854 1.00 1.42 O ATOM 0 H GLU A 20 -22.414 -3.393 4.266 1.00 0.39 H new ATOM 0 HA GLU A 20 -24.239 -1.779 5.749 1.00 0.43 H new ATOM 0 HB2 GLU A 20 -22.528 -4.113 6.655 1.00 0.50 H new ATOM 0 HB3 GLU A 20 -23.979 -3.510 7.431 1.00 0.50 H new ATOM 0 HG2 GLU A 20 -25.307 -4.135 5.429 1.00 0.61 H new ATOM 0 HG3 GLU A 20 -23.855 -4.741 4.656 1.00 0.61 H new ATOM 410 N PRO A 21 -22.838 -0.732 7.664 1.00 0.50 N ATOM 411 CA PRO A 21 -22.006 0.022 8.588 1.00 0.53 C ATOM 412 C PRO A 21 -20.839 -0.815 9.097 1.00 0.53 C ATOM 413 O PRO A 21 -19.696 -0.360 9.124 1.00 0.65 O ATOM 414 CB PRO A 21 -22.947 0.401 9.736 1.00 0.57 C ATOM 415 CG PRO A 21 -24.340 0.063 9.295 1.00 0.61 C ATOM 416 CD PRO A 21 -24.266 -0.567 7.930 1.00 0.62 C ATOM 0 HA PRO A 21 -21.559 0.894 8.112 1.00 0.53 H new ATOM 0 HB2 PRO A 21 -22.687 -0.145 10.643 1.00 0.57 H new ATOM 0 HB3 PRO A 21 -22.863 1.463 9.968 1.00 0.57 H new ATOM 0 HG2 PRO A 21 -24.807 -0.621 10.004 1.00 0.61 H new ATOM 0 HG3 PRO A 21 -24.957 0.961 9.265 1.00 0.61 H new ATOM 0 HD2 PRO A 21 -24.784 -1.526 7.910 1.00 0.62 H new ATOM 0 HD3 PRO A 21 -24.737 0.066 7.178 1.00 0.62 H new ATOM 424 N SER A 22 -21.118 -2.051 9.473 1.00 0.50 N ATOM 425 CA SER A 22 -20.066 -2.951 9.888 1.00 0.61 C ATOM 426 C SER A 22 -19.288 -3.447 8.668 1.00 0.84 C ATOM 427 O SER A 22 -18.177 -2.974 8.408 1.00 1.64 O ATOM 428 CB SER A 22 -20.642 -4.127 10.684 1.00 0.68 C ATOM 429 OG SER A 22 -19.610 -4.918 11.253 1.00 1.32 O ATOM 0 H SER A 22 -22.057 -2.448 9.498 1.00 0.50 H new ATOM 0 HA SER A 22 -19.380 -2.410 10.540 1.00 0.61 H new ATOM 0 HB2 SER A 22 -21.292 -3.751 11.474 1.00 0.68 H new ATOM 0 HB3 SER A 22 -21.258 -4.744 10.030 1.00 0.68 H new ATOM 0 HG SER A 22 -20.006 -5.660 11.756 1.00 1.32 H new ATOM 435 N THR A 23 -19.922 -4.333 7.888 1.00 0.41 N ATOM 436 CA THR A 23 -19.282 -5.065 6.796 1.00 0.49 C ATOM 437 C THR A 23 -17.979 -5.751 7.220 1.00 0.63 C ATOM 438 O THR A 23 -17.952 -6.971 7.376 1.00 1.47 O ATOM 439 CB THR A 23 -19.034 -4.163 5.577 1.00 0.51 C ATOM 440 OG1 THR A 23 -20.282 -3.725 5.048 1.00 0.68 O ATOM 441 CG2 THR A 23 -18.283 -4.909 4.500 1.00 0.50 C ATOM 0 H THR A 23 -20.909 -4.562 8.003 1.00 0.41 H new ATOM 0 HA THR A 23 -19.985 -5.849 6.514 1.00 0.49 H new ATOM 0 HB THR A 23 -18.438 -3.309 5.898 1.00 0.51 H new ATOM 0 HG1 THR A 23 -20.581 -2.927 5.532 1.00 0.68 H new ATOM 0 HG21 THR A 23 -18.119 -4.250 3.647 1.00 0.50 H new ATOM 0 HG22 THR A 23 -17.322 -5.242 4.891 1.00 0.50 H new ATOM 0 HG23 THR A 23 -18.865 -5.774 4.183 1.00 0.50 H new ATOM 449 N MET A 24 -16.936 -4.943 7.436 1.00 0.54 N ATOM 450 CA MET A 24 -15.576 -5.404 7.713 1.00 0.48 C ATOM 451 C MET A 24 -14.856 -5.699 6.404 1.00 0.43 C ATOM 452 O MET A 24 -15.408 -6.329 5.510 1.00 0.47 O ATOM 453 CB MET A 24 -15.561 -6.617 8.650 1.00 0.60 C ATOM 454 CG MET A 24 -14.422 -6.611 9.643 1.00 0.57 C ATOM 455 SD MET A 24 -14.744 -7.700 11.040 1.00 0.83 S ATOM 456 CE MET A 24 -13.549 -7.076 12.212 1.00 0.71 C ATOM 0 H MET A 24 -17.018 -3.926 7.422 1.00 0.54 H new ATOM 0 HA MET A 24 -15.044 -4.608 8.233 1.00 0.48 H new ATOM 0 HB2 MET A 24 -16.504 -6.654 9.195 1.00 0.60 H new ATOM 0 HB3 MET A 24 -15.503 -7.526 8.051 1.00 0.60 H new ATOM 0 HG2 MET A 24 -13.504 -6.922 9.144 1.00 0.57 H new ATOM 0 HG3 MET A 24 -14.260 -5.595 10.004 1.00 0.57 H new ATOM 0 HE1 MET A 24 -13.699 -7.559 13.177 1.00 0.71 H new ATOM 0 HE2 MET A 24 -12.542 -7.288 11.853 1.00 0.71 H new ATOM 0 HE3 MET A 24 -13.675 -5.999 12.322 1.00 0.71 H new ATOM 466 N VAL A 25 -13.636 -5.181 6.304 1.00 0.40 N ATOM 467 CA VAL A 25 -12.833 -5.235 5.075 1.00 0.38 C ATOM 468 C VAL A 25 -12.934 -6.570 4.330 1.00 0.39 C ATOM 469 O VAL A 25 -13.228 -6.587 3.134 1.00 0.39 O ATOM 470 CB VAL A 25 -11.359 -4.924 5.378 1.00 0.41 C ATOM 471 CG1 VAL A 25 -10.490 -5.088 4.138 1.00 0.42 C ATOM 472 CG2 VAL A 25 -11.247 -3.516 5.929 1.00 0.40 C ATOM 0 H VAL A 25 -13.168 -4.707 7.076 1.00 0.40 H new ATOM 0 HA VAL A 25 -13.250 -4.474 4.416 1.00 0.38 H new ATOM 0 HB VAL A 25 -10.998 -5.634 6.122 1.00 0.41 H new ATOM 0 HG11 VAL A 25 -9.454 -4.860 4.387 1.00 0.42 H new ATOM 0 HG12 VAL A 25 -10.560 -6.114 3.778 1.00 0.42 H new ATOM 0 HG13 VAL A 25 -10.834 -4.407 3.360 1.00 0.42 H new ATOM 0 HG21 VAL A 25 -10.202 -3.292 6.145 1.00 0.40 H new ATOM 0 HG22 VAL A 25 -11.626 -2.806 5.194 1.00 0.40 H new ATOM 0 HG23 VAL A 25 -11.832 -3.436 6.845 1.00 0.40 H new ATOM 482 N TYR A 26 -12.703 -7.678 5.030 1.00 0.42 N ATOM 483 CA TYR A 26 -12.719 -8.993 4.387 1.00 0.45 C ATOM 484 C TYR A 26 -14.080 -9.295 3.749 1.00 0.43 C ATOM 485 O TYR A 26 -14.156 -9.950 2.709 1.00 0.42 O ATOM 486 CB TYR A 26 -12.310 -10.109 5.361 1.00 0.52 C ATOM 487 CG TYR A 26 -13.166 -10.233 6.605 1.00 0.56 C ATOM 488 CD1 TYR A 26 -14.400 -10.876 6.572 1.00 0.70 C ATOM 489 CD2 TYR A 26 -12.728 -9.724 7.818 1.00 0.58 C ATOM 490 CE1 TYR A 26 -15.169 -11.001 7.712 1.00 0.78 C ATOM 491 CE2 TYR A 26 -13.492 -9.846 8.959 1.00 0.65 C ATOM 492 CZ TYR A 26 -14.711 -10.483 8.902 1.00 0.72 C ATOM 493 OH TYR A 26 -15.473 -10.599 10.043 1.00 0.83 O ATOM 0 H TYR A 26 -12.505 -7.695 6.030 1.00 0.42 H new ATOM 0 HA TYR A 26 -11.977 -8.963 3.589 1.00 0.45 H new ATOM 0 HB2 TYR A 26 -12.334 -11.060 4.828 1.00 0.52 H new ATOM 0 HB3 TYR A 26 -11.277 -9.941 5.667 1.00 0.52 H new ATOM 0 HD1 TYR A 26 -14.762 -11.284 5.640 1.00 0.70 H new ATOM 0 HD2 TYR A 26 -11.772 -9.224 7.870 1.00 0.58 H new ATOM 0 HE1 TYR A 26 -16.125 -11.502 7.670 1.00 0.78 H new ATOM 0 HE2 TYR A 26 -13.135 -9.443 9.895 1.00 0.65 H new ATOM 0 HH TYR A 26 -15.410 -9.771 10.564 1.00 0.83 H new ATOM 503 N ASP A 27 -15.144 -8.789 4.357 1.00 0.43 N ATOM 504 CA ASP A 27 -16.493 -8.998 3.844 1.00 0.44 C ATOM 505 C ASP A 27 -16.740 -8.082 2.651 1.00 0.39 C ATOM 506 O ASP A 27 -17.324 -8.488 1.650 1.00 0.40 O ATOM 507 CB ASP A 27 -17.528 -8.746 4.943 1.00 0.50 C ATOM 508 CG ASP A 27 -18.958 -8.952 4.476 1.00 0.91 C ATOM 509 OD1 ASP A 27 -19.361 -10.114 4.268 1.00 1.24 O ATOM 510 OD2 ASP A 27 -19.690 -7.957 4.328 1.00 1.48 O ATOM 0 H ASP A 27 -15.100 -8.229 5.208 1.00 0.43 H new ATOM 0 HA ASP A 27 -16.592 -10.033 3.517 1.00 0.44 H new ATOM 0 HB2 ASP A 27 -17.327 -9.412 5.782 1.00 0.50 H new ATOM 0 HB3 ASP A 27 -17.416 -7.726 5.312 1.00 0.50 H new ATOM 515 N ALA A 28 -16.285 -6.841 2.763 1.00 0.37 N ATOM 516 CA ALA A 28 -16.374 -5.889 1.661 1.00 0.33 C ATOM 517 C ALA A 28 -15.662 -6.421 0.424 1.00 0.32 C ATOM 518 O ALA A 28 -16.223 -6.425 -0.673 1.00 0.31 O ATOM 519 CB ALA A 28 -15.782 -4.549 2.071 1.00 0.33 C ATOM 0 H ALA A 28 -15.850 -6.469 3.607 1.00 0.37 H new ATOM 0 HA ALA A 28 -17.427 -5.750 1.417 1.00 0.33 H new ATOM 0 HB1 ALA A 28 -15.855 -3.849 1.239 1.00 0.33 H new ATOM 0 HB2 ALA A 28 -16.331 -4.155 2.926 1.00 0.33 H new ATOM 0 HB3 ALA A 28 -14.735 -4.682 2.342 1.00 0.33 H new ATOM 525 N CYS A 29 -14.430 -6.878 0.623 1.00 0.35 N ATOM 526 CA CYS A 29 -13.596 -7.400 -0.455 1.00 0.37 C ATOM 527 C CYS A 29 -14.288 -8.529 -1.226 1.00 0.38 C ATOM 528 O CYS A 29 -14.080 -8.677 -2.429 1.00 0.40 O ATOM 529 CB CYS A 29 -12.259 -7.894 0.110 1.00 0.45 C ATOM 530 SG CYS A 29 -11.120 -8.554 -1.130 1.00 1.37 S ATOM 0 H CYS A 29 -13.980 -6.897 1.538 1.00 0.35 H new ATOM 0 HA CYS A 29 -13.420 -6.585 -1.157 1.00 0.37 H new ATOM 0 HB2 CYS A 29 -11.772 -7.069 0.630 1.00 0.45 H new ATOM 0 HB3 CYS A 29 -12.456 -8.667 0.852 1.00 0.45 H new ATOM 0 HG CYS A 29 -10.023 -8.941 -0.549 1.00 1.37 H new ATOM 536 N ARG A 30 -15.121 -9.310 -0.545 1.00 0.40 N ATOM 537 CA ARG A 30 -15.754 -10.453 -1.191 1.00 0.44 C ATOM 538 C ARG A 30 -16.929 -10.008 -2.056 1.00 0.42 C ATOM 539 O ARG A 30 -17.136 -10.529 -3.148 1.00 0.45 O ATOM 540 CB ARG A 30 -16.195 -11.511 -0.173 1.00 0.49 C ATOM 541 CG ARG A 30 -17.465 -11.181 0.587 1.00 0.53 C ATOM 542 CD ARG A 30 -17.813 -12.288 1.561 1.00 0.71 C ATOM 543 NE ARG A 30 -18.977 -11.957 2.367 1.00 1.12 N ATOM 544 CZ ARG A 30 -20.008 -12.774 2.566 1.00 1.68 C ATOM 545 NH1 ARG A 30 -20.065 -13.946 1.944 1.00 1.94 N ATOM 546 NH2 ARG A 30 -20.992 -12.402 3.369 1.00 2.41 N ATOM 0 H ARG A 30 -15.370 -9.176 0.435 1.00 0.40 H new ATOM 0 HA ARG A 30 -15.008 -10.915 -1.837 1.00 0.44 H new ATOM 0 HB2 ARG A 30 -16.337 -12.458 -0.694 1.00 0.49 H new ATOM 0 HB3 ARG A 30 -15.389 -11.661 0.545 1.00 0.49 H new ATOM 0 HG2 ARG A 30 -17.338 -10.243 1.127 1.00 0.53 H new ATOM 0 HG3 ARG A 30 -18.287 -11.036 -0.115 1.00 0.53 H new ATOM 0 HD2 ARG A 30 -18.003 -13.209 1.010 1.00 0.71 H new ATOM 0 HD3 ARG A 30 -16.961 -12.477 2.214 1.00 0.71 H new ATOM 0 HE ARG A 30 -19.005 -11.038 2.809 1.00 1.12 H new ATOM 0 HH11 ARG A 30 -19.316 -14.224 1.310 1.00 1.94 H new ATOM 0 HH12 ARG A 30 -20.858 -14.568 2.100 1.00 1.94 H new ATOM 0 HH21 ARG A 30 -20.957 -11.493 3.831 1.00 2.41 H new ATOM 0 HH22 ARG A 30 -21.785 -13.024 3.526 1.00 2.41 H new ATOM 560 N MET A 31 -17.682 -9.024 -1.577 1.00 0.39 N ATOM 561 CA MET A 31 -18.843 -8.538 -2.308 1.00 0.40 C ATOM 562 C MET A 31 -18.433 -7.673 -3.486 1.00 0.38 C ATOM 563 O MET A 31 -18.947 -7.838 -4.584 1.00 0.44 O ATOM 564 CB MET A 31 -19.763 -7.748 -1.388 1.00 0.39 C ATOM 565 CG MET A 31 -20.200 -8.535 -0.172 1.00 0.43 C ATOM 566 SD MET A 31 -21.189 -7.550 0.961 1.00 0.45 S ATOM 567 CE MET A 31 -19.945 -6.385 1.497 1.00 0.39 C ATOM 0 H MET A 31 -17.509 -8.550 -0.690 1.00 0.39 H new ATOM 0 HA MET A 31 -19.377 -9.408 -2.689 1.00 0.40 H new ATOM 0 HB2 MET A 31 -19.252 -6.842 -1.063 1.00 0.39 H new ATOM 0 HB3 MET A 31 -20.645 -7.434 -1.947 1.00 0.39 H new ATOM 0 HG2 MET A 31 -20.776 -9.403 -0.492 1.00 0.43 H new ATOM 0 HG3 MET A 31 -19.320 -8.911 0.350 1.00 0.43 H new ATOM 0 HE1 MET A 31 -20.409 -5.615 2.113 1.00 0.39 H new ATOM 0 HE2 MET A 31 -19.185 -6.906 2.079 1.00 0.39 H new ATOM 0 HE3 MET A 31 -19.481 -5.922 0.626 1.00 0.39 H new ATOM 577 N ILE A 32 -17.510 -6.749 -3.261 1.00 0.34 N ATOM 578 CA ILE A 32 -17.070 -5.846 -4.320 1.00 0.33 C ATOM 579 C ILE A 32 -16.521 -6.626 -5.519 1.00 0.36 C ATOM 580 O ILE A 32 -16.875 -6.341 -6.660 1.00 0.40 O ATOM 581 CB ILE A 32 -16.027 -4.821 -3.816 1.00 0.30 C ATOM 582 CG1 ILE A 32 -15.673 -3.849 -4.940 1.00 0.40 C ATOM 583 CG2 ILE A 32 -14.774 -5.506 -3.283 1.00 0.30 C ATOM 584 CD1 ILE A 32 -14.687 -2.788 -4.526 1.00 0.48 C ATOM 0 H ILE A 32 -17.052 -6.603 -2.361 1.00 0.34 H new ATOM 0 HA ILE A 32 -17.948 -5.287 -4.643 1.00 0.33 H new ATOM 0 HB ILE A 32 -16.469 -4.267 -2.987 1.00 0.30 H new ATOM 0 HG12 ILE A 32 -15.261 -4.410 -5.779 1.00 0.40 H new ATOM 0 HG13 ILE A 32 -16.585 -3.368 -5.295 1.00 0.40 H new ATOM 0 HG21 ILE A 32 -14.066 -4.752 -2.939 1.00 0.30 H new ATOM 0 HG22 ILE A 32 -15.042 -6.159 -2.452 1.00 0.30 H new ATOM 0 HG23 ILE A 32 -14.317 -6.097 -4.077 1.00 0.30 H new ATOM 0 HD11 ILE A 32 -14.481 -2.133 -5.372 1.00 0.48 H new ATOM 0 HD12 ILE A 32 -15.105 -2.202 -3.707 1.00 0.48 H new ATOM 0 HD13 ILE A 32 -13.761 -3.260 -4.198 1.00 0.48 H new ATOM 596 N ARG A 33 -15.680 -7.620 -5.250 1.00 0.36 N ATOM 597 CA ARG A 33 -15.168 -8.500 -6.298 1.00 0.41 C ATOM 598 C ARG A 33 -16.297 -9.291 -6.949 1.00 0.45 C ATOM 599 O ARG A 33 -16.225 -9.654 -8.123 1.00 0.49 O ATOM 600 CB ARG A 33 -14.120 -9.457 -5.733 1.00 0.45 C ATOM 601 CG ARG A 33 -12.784 -8.795 -5.447 1.00 1.01 C ATOM 602 CD ARG A 33 -11.752 -9.808 -4.986 1.00 0.94 C ATOM 603 NE ARG A 33 -12.031 -10.314 -3.645 1.00 0.64 N ATOM 604 CZ ARG A 33 -11.987 -11.601 -3.309 1.00 0.84 C ATOM 605 NH1 ARG A 33 -11.811 -12.530 -4.243 1.00 1.32 N ATOM 606 NH2 ARG A 33 -12.151 -11.962 -2.040 1.00 1.22 N ATOM 0 H ARG A 33 -15.338 -7.837 -4.314 1.00 0.36 H new ATOM 0 HA ARG A 33 -14.701 -7.874 -7.059 1.00 0.41 H new ATOM 0 HB2 ARG A 33 -14.502 -9.898 -4.812 1.00 0.45 H new ATOM 0 HB3 ARG A 33 -13.968 -10.274 -6.439 1.00 0.45 H new ATOM 0 HG2 ARG A 33 -12.426 -8.291 -6.345 1.00 1.01 H new ATOM 0 HG3 ARG A 33 -12.912 -8.029 -4.682 1.00 1.01 H new ATOM 0 HD2 ARG A 33 -11.726 -10.641 -5.688 1.00 0.94 H new ATOM 0 HD3 ARG A 33 -10.764 -9.348 -5.000 1.00 0.94 H new ATOM 0 HE ARG A 33 -12.275 -9.639 -2.920 1.00 0.64 H new ATOM 0 HH11 ARG A 33 -11.709 -12.257 -5.221 1.00 1.32 H new ATOM 0 HH12 ARG A 33 -11.778 -13.516 -3.982 1.00 1.32 H new ATOM 0 HH21 ARG A 33 -12.310 -11.253 -1.325 1.00 1.22 H new ATOM 0 HH22 ARG A 33 -12.117 -12.948 -1.782 1.00 1.22 H new ATOM 620 N GLU A 34 -17.341 -9.535 -6.177 1.00 0.46 N ATOM 621 CA GLU A 34 -18.480 -10.301 -6.655 1.00 0.51 C ATOM 622 C GLU A 34 -19.301 -9.461 -7.631 1.00 0.50 C ATOM 623 O GLU A 34 -19.740 -9.950 -8.676 1.00 0.54 O ATOM 624 CB GLU A 34 -19.354 -10.756 -5.482 1.00 0.55 C ATOM 625 CG GLU A 34 -20.380 -11.814 -5.855 1.00 0.90 C ATOM 626 CD GLU A 34 -19.737 -13.120 -6.275 1.00 1.51 C ATOM 627 OE1 GLU A 34 -19.367 -13.254 -7.461 1.00 2.40 O ATOM 628 OE2 GLU A 34 -19.590 -14.013 -5.419 1.00 1.50 O ATOM 0 H GLU A 34 -17.424 -9.213 -5.213 1.00 0.46 H new ATOM 0 HA GLU A 34 -18.112 -11.187 -7.172 1.00 0.51 H new ATOM 0 HB2 GLU A 34 -18.712 -11.148 -4.693 1.00 0.55 H new ATOM 0 HB3 GLU A 34 -19.872 -9.890 -5.070 1.00 0.55 H new ATOM 0 HG2 GLU A 34 -21.038 -11.993 -5.005 1.00 0.90 H new ATOM 0 HG3 GLU A 34 -21.003 -11.441 -6.668 1.00 0.90 H new ATOM 635 N ARG A 35 -19.483 -8.185 -7.299 1.00 0.51 N ATOM 636 CA ARG A 35 -20.276 -7.289 -8.133 1.00 0.55 C ATOM 637 C ARG A 35 -19.443 -6.778 -9.300 1.00 0.49 C ATOM 638 O ARG A 35 -19.826 -6.904 -10.463 1.00 0.54 O ATOM 639 CB ARG A 35 -20.756 -6.060 -7.344 1.00 0.72 C ATOM 640 CG ARG A 35 -21.037 -6.291 -5.869 1.00 0.77 C ATOM 641 CD ARG A 35 -22.225 -7.199 -5.627 1.00 0.79 C ATOM 642 NE ARG A 35 -23.454 -6.680 -6.234 1.00 1.02 N ATOM 643 CZ ARG A 35 -24.678 -6.918 -5.761 1.00 1.46 C ATOM 644 NH1 ARG A 35 -24.843 -7.663 -4.674 1.00 1.79 N ATOM 645 NH2 ARG A 35 -25.738 -6.419 -6.384 1.00 1.90 N ATOM 0 H ARG A 35 -19.094 -7.751 -6.462 1.00 0.51 H new ATOM 0 HA ARG A 35 -21.134 -7.863 -8.484 1.00 0.55 H new ATOM 0 HB2 ARG A 35 -20.003 -5.277 -7.433 1.00 0.72 H new ATOM 0 HB3 ARG A 35 -21.665 -5.682 -7.813 1.00 0.72 H new ATOM 0 HG2 ARG A 35 -20.154 -6.725 -5.400 1.00 0.77 H new ATOM 0 HG3 ARG A 35 -21.216 -5.331 -5.384 1.00 0.77 H new ATOM 0 HD2 ARG A 35 -22.012 -8.188 -6.032 1.00 0.79 H new ATOM 0 HD3 ARG A 35 -22.375 -7.319 -4.554 1.00 0.79 H new ATOM 0 HE ARG A 35 -23.368 -6.101 -7.069 1.00 1.02 H new ATOM 0 HH11 ARG A 35 -24.032 -8.056 -4.197 1.00 1.79 H new ATOM 0 HH12 ARG A 35 -25.781 -7.842 -4.316 1.00 1.79 H new ATOM 0 HH21 ARG A 35 -25.616 -5.854 -7.224 1.00 1.90 H new ATOM 0 HH22 ARG A 35 -26.674 -6.601 -6.023 1.00 1.90 H new ATOM 659 N ILE A 36 -18.291 -6.215 -8.971 1.00 0.45 N ATOM 660 CA ILE A 36 -17.475 -5.499 -9.936 1.00 0.43 C ATOM 661 C ILE A 36 -16.278 -6.336 -10.384 1.00 0.45 C ATOM 662 O ILE A 36 -15.351 -6.567 -9.609 1.00 0.44 O ATOM 663 CB ILE A 36 -16.976 -4.165 -9.335 1.00 0.43 C ATOM 664 CG1 ILE A 36 -18.136 -3.408 -8.683 1.00 0.43 C ATOM 665 CG2 ILE A 36 -16.326 -3.308 -10.410 1.00 0.44 C ATOM 666 CD1 ILE A 36 -17.709 -2.159 -7.941 1.00 0.44 C ATOM 0 H ILE A 36 -17.897 -6.242 -8.030 1.00 0.45 H new ATOM 0 HA ILE A 36 -18.099 -5.295 -10.806 1.00 0.43 H new ATOM 0 HB ILE A 36 -16.231 -4.388 -8.571 1.00 0.43 H new ATOM 0 HG12 ILE A 36 -18.857 -3.134 -9.453 1.00 0.43 H new ATOM 0 HG13 ILE A 36 -18.648 -4.074 -7.989 1.00 0.43 H new ATOM 0 HG21 ILE A 36 -15.980 -2.373 -9.970 1.00 0.44 H new ATOM 0 HG22 ILE A 36 -15.478 -3.843 -10.838 1.00 0.44 H new ATOM 0 HG23 ILE A 36 -17.053 -3.094 -11.193 1.00 0.44 H new ATOM 0 HD11 ILE A 36 -18.585 -1.677 -7.506 1.00 0.44 H new ATOM 0 HD12 ILE A 36 -17.011 -2.428 -7.148 1.00 0.44 H new ATOM 0 HD13 ILE A 36 -17.223 -1.472 -8.634 1.00 0.44 H new ATOM 678 N PRO A 37 -16.272 -6.793 -11.646 1.00 0.53 N ATOM 679 CA PRO A 37 -15.149 -7.554 -12.203 1.00 0.60 C ATOM 680 C PRO A 37 -13.960 -6.651 -12.517 1.00 0.61 C ATOM 681 O PRO A 37 -12.873 -7.115 -12.861 1.00 0.71 O ATOM 682 CB PRO A 37 -15.730 -8.150 -13.485 1.00 0.73 C ATOM 683 CG PRO A 37 -16.796 -7.193 -13.899 1.00 0.76 C ATOM 684 CD PRO A 37 -17.360 -6.610 -12.629 1.00 0.60 C ATOM 0 HA PRO A 37 -14.767 -8.305 -11.511 1.00 0.60 H new ATOM 0 HB2 PRO A 37 -14.966 -8.250 -14.256 1.00 0.73 H new ATOM 0 HB3 PRO A 37 -16.138 -9.145 -13.309 1.00 0.73 H new ATOM 0 HG2 PRO A 37 -16.388 -6.410 -14.538 1.00 0.76 H new ATOM 0 HG3 PRO A 37 -17.572 -7.700 -14.472 1.00 0.76 H new ATOM 0 HD2 PRO A 37 -17.617 -5.558 -12.751 1.00 0.60 H new ATOM 0 HD3 PRO A 37 -18.269 -7.126 -12.321 1.00 0.60 H new ATOM 692 N GLU A 38 -14.186 -5.356 -12.378 1.00 0.57 N ATOM 693 CA GLU A 38 -13.178 -4.348 -12.637 1.00 0.61 C ATOM 694 C GLU A 38 -12.337 -4.112 -11.380 1.00 0.54 C ATOM 695 O GLU A 38 -11.298 -3.453 -11.422 1.00 0.62 O ATOM 696 CB GLU A 38 -13.890 -3.068 -13.076 1.00 0.75 C ATOM 697 CG GLU A 38 -12.980 -1.924 -13.470 1.00 0.99 C ATOM 698 CD GLU A 38 -13.767 -0.756 -14.011 1.00 1.67 C ATOM 699 OE1 GLU A 38 -14.491 -0.109 -13.223 1.00 2.46 O ATOM 700 OE2 GLU A 38 -13.638 -0.455 -15.212 1.00 2.04 O ATOM 0 H GLU A 38 -15.083 -4.973 -12.079 1.00 0.57 H new ATOM 0 HA GLU A 38 -12.501 -4.675 -13.426 1.00 0.61 H new ATOM 0 HB2 GLU A 38 -14.537 -3.303 -13.921 1.00 0.75 H new ATOM 0 HB3 GLU A 38 -14.535 -2.734 -12.264 1.00 0.75 H new ATOM 0 HG2 GLU A 38 -12.400 -1.604 -12.605 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -12.269 -2.265 -14.222 1.00 0.99 H new ATOM 707 N ALA A 39 -12.794 -4.676 -10.266 1.00 0.47 N ATOM 708 CA ALA A 39 -12.123 -4.505 -8.987 1.00 0.47 C ATOM 709 C ALA A 39 -10.871 -5.371 -8.889 1.00 0.49 C ATOM 710 O ALA A 39 -9.827 -4.914 -8.437 1.00 0.55 O ATOM 711 CB ALA A 39 -13.076 -4.830 -7.846 1.00 0.47 C ATOM 0 H ALA A 39 -13.631 -5.258 -10.226 1.00 0.47 H new ATOM 0 HA ALA A 39 -11.814 -3.463 -8.911 1.00 0.47 H new ATOM 0 HB1 ALA A 39 -12.562 -4.698 -6.894 1.00 0.47 H new ATOM 0 HB2 ALA A 39 -13.936 -4.162 -7.889 1.00 0.47 H new ATOM 0 HB3 ALA A 39 -13.413 -5.863 -7.936 1.00 0.47 H new ATOM 717 N LEU A 40 -10.973 -6.617 -9.330 1.00 0.50 N ATOM 718 CA LEU A 40 -9.864 -7.558 -9.210 1.00 0.59 C ATOM 719 C LEU A 40 -8.987 -7.551 -10.463 1.00 0.67 C ATOM 720 O LEU A 40 -8.664 -8.600 -11.019 1.00 0.99 O ATOM 721 CB LEU A 40 -10.354 -8.991 -8.873 1.00 0.65 C ATOM 722 CG LEU A 40 -11.605 -9.539 -9.604 1.00 0.62 C ATOM 723 CD1 LEU A 40 -12.882 -8.894 -9.090 1.00 1.29 C ATOM 724 CD2 LEU A 40 -11.502 -9.360 -11.107 1.00 1.19 C ATOM 0 H LEU A 40 -11.808 -7.000 -9.773 1.00 0.50 H new ATOM 0 HA LEU A 40 -9.250 -7.223 -8.374 1.00 0.59 H new ATOM 0 HB2 LEU A 40 -9.530 -9.677 -9.068 1.00 0.65 H new ATOM 0 HB3 LEU A 40 -10.553 -9.029 -7.802 1.00 0.65 H new ATOM 0 HG LEU A 40 -11.647 -10.607 -9.389 1.00 0.62 H new ATOM 0 HD11 LEU A 40 -13.738 -9.304 -9.626 1.00 1.29 H new ATOM 0 HD12 LEU A 40 -12.990 -9.098 -8.025 1.00 1.29 H new ATOM 0 HD13 LEU A 40 -12.835 -7.817 -9.250 1.00 1.29 H new ATOM 0 HD21 LEU A 40 -12.399 -9.757 -11.583 1.00 1.19 H new ATOM 0 HD22 LEU A 40 -11.406 -8.300 -11.341 1.00 1.19 H new ATOM 0 HD23 LEU A 40 -10.627 -9.894 -11.478 1.00 1.19 H new ATOM 736 N ALA A 41 -8.581 -6.359 -10.882 1.00 0.65 N ATOM 737 CA ALA A 41 -7.778 -6.200 -12.091 1.00 0.74 C ATOM 738 C ALA A 41 -6.414 -6.880 -11.956 1.00 0.81 C ATOM 739 O ALA A 41 -5.781 -7.226 -12.955 1.00 1.15 O ATOM 740 CB ALA A 41 -7.611 -4.726 -12.422 1.00 0.92 C ATOM 0 H ALA A 41 -8.795 -5.485 -10.402 1.00 0.65 H new ATOM 0 HA ALA A 41 -8.307 -6.688 -12.910 1.00 0.74 H new ATOM 0 HB1 ALA A 41 -7.010 -4.622 -13.326 1.00 0.92 H new ATOM 0 HB2 ALA A 41 -8.591 -4.276 -12.584 1.00 0.92 H new ATOM 0 HB3 ALA A 41 -7.112 -4.222 -11.595 1.00 0.92 H new ATOM 746 N GLY A 42 -5.968 -7.065 -10.723 1.00 0.75 N ATOM 747 CA GLY A 42 -4.739 -7.784 -10.471 1.00 0.86 C ATOM 748 C GLY A 42 -4.982 -8.953 -9.542 1.00 0.80 C ATOM 749 O GLY A 42 -6.060 -9.545 -9.574 1.00 0.82 O ATOM 0 H GLY A 42 -6.441 -6.726 -9.886 1.00 0.75 H new ATOM 0 HA2 GLY A 42 -4.322 -8.142 -11.412 1.00 0.86 H new ATOM 0 HA3 GLY A 42 -4.002 -7.111 -10.032 1.00 0.86 H new ATOM 753 N PRO A 43 -4.007 -9.313 -8.700 1.00 0.83 N ATOM 754 CA PRO A 43 -4.184 -10.377 -7.713 1.00 0.82 C ATOM 755 C PRO A 43 -5.018 -9.911 -6.517 1.00 0.72 C ATOM 756 O PRO A 43 -4.552 -9.121 -5.697 1.00 0.66 O ATOM 757 CB PRO A 43 -2.752 -10.701 -7.290 1.00 0.94 C ATOM 758 CG PRO A 43 -1.994 -9.433 -7.496 1.00 1.09 C ATOM 759 CD PRO A 43 -2.653 -8.728 -8.654 1.00 0.98 C ATOM 0 HA PRO A 43 -4.722 -11.236 -8.114 1.00 0.82 H new ATOM 0 HB2 PRO A 43 -2.711 -11.021 -6.249 1.00 0.94 H new ATOM 0 HB3 PRO A 43 -2.337 -11.511 -7.889 1.00 0.94 H new ATOM 0 HG2 PRO A 43 -2.020 -8.815 -6.599 1.00 1.09 H new ATOM 0 HG3 PRO A 43 -0.945 -9.638 -7.712 1.00 1.09 H new ATOM 0 HD2 PRO A 43 -2.688 -7.650 -8.498 1.00 0.98 H new ATOM 0 HD3 PRO A 43 -2.112 -8.898 -9.585 1.00 0.98 H new ATOM 767 N PRO A 44 -6.266 -10.409 -6.396 1.00 0.76 N ATOM 768 CA PRO A 44 -7.213 -9.966 -5.361 1.00 0.73 C ATOM 769 C PRO A 44 -6.676 -10.158 -3.946 1.00 0.69 C ATOM 770 O PRO A 44 -7.077 -9.452 -3.021 1.00 0.74 O ATOM 771 CB PRO A 44 -8.449 -10.845 -5.589 1.00 0.93 C ATOM 772 CG PRO A 44 -7.975 -11.985 -6.424 1.00 0.99 C ATOM 773 CD PRO A 44 -6.854 -11.445 -7.259 1.00 0.89 C ATOM 0 HA PRO A 44 -7.416 -8.898 -5.441 1.00 0.73 H new ATOM 0 HB2 PRO A 44 -8.862 -11.196 -4.643 1.00 0.93 H new ATOM 0 HB3 PRO A 44 -9.239 -10.289 -6.095 1.00 0.93 H new ATOM 0 HG2 PRO A 44 -7.634 -12.811 -5.800 1.00 0.99 H new ATOM 0 HG3 PRO A 44 -8.779 -12.370 -7.051 1.00 0.99 H new ATOM 0 HD2 PRO A 44 -6.129 -12.219 -7.511 1.00 0.89 H new ATOM 0 HD3 PRO A 44 -7.216 -11.029 -8.199 1.00 0.89 H new ATOM 781 N ASN A 45 -5.756 -11.104 -3.793 1.00 0.72 N ATOM 782 CA ASN A 45 -5.126 -11.375 -2.503 1.00 0.77 C ATOM 783 C ASN A 45 -4.405 -10.138 -2.000 1.00 0.71 C ATOM 784 O ASN A 45 -4.312 -9.905 -0.799 1.00 0.85 O ATOM 785 CB ASN A 45 -4.116 -12.518 -2.622 1.00 0.87 C ATOM 786 CG ASN A 45 -4.724 -13.797 -3.151 1.00 1.41 C ATOM 787 OD1 ASN A 45 -5.890 -14.103 -2.891 1.00 2.21 O ATOM 788 ND2 ASN A 45 -3.945 -14.541 -3.918 1.00 1.37 N ATOM 0 H ASN A 45 -5.427 -11.701 -4.552 1.00 0.72 H new ATOM 0 HA ASN A 45 -5.911 -11.658 -1.801 1.00 0.77 H new ATOM 0 HB2 ASN A 45 -3.304 -12.210 -3.281 1.00 0.87 H new ATOM 0 HB3 ASN A 45 -3.677 -12.710 -1.643 1.00 0.87 H new ATOM 0 HD21 ASN A 45 -4.303 -15.407 -4.321 1.00 1.37 H new ATOM 0 HD22 ASN A 45 -2.986 -14.249 -4.107 1.00 1.37 H new ATOM 795 N ASP A 46 -3.906 -9.342 -2.936 1.00 0.61 N ATOM 796 CA ASP A 46 -3.123 -8.163 -2.605 1.00 0.68 C ATOM 797 C ASP A 46 -3.944 -6.898 -2.808 1.00 0.57 C ATOM 798 O ASP A 46 -3.403 -5.801 -2.873 1.00 0.61 O ATOM 799 CB ASP A 46 -1.858 -8.106 -3.467 1.00 0.83 C ATOM 800 CG ASP A 46 -0.968 -9.317 -3.272 1.00 1.22 C ATOM 801 OD1 ASP A 46 -0.334 -9.434 -2.201 1.00 1.90 O ATOM 802 OD2 ASP A 46 -0.906 -10.169 -4.184 1.00 1.38 O ATOM 0 H ASP A 46 -4.032 -9.494 -3.937 1.00 0.61 H new ATOM 0 HA ASP A 46 -2.836 -8.228 -1.555 1.00 0.68 H new ATOM 0 HB2 ASP A 46 -2.141 -8.032 -4.517 1.00 0.83 H new ATOM 0 HB3 ASP A 46 -1.297 -7.204 -3.224 1.00 0.83 H new ATOM 807 N PHE A 47 -5.255 -7.054 -2.905 1.00 0.53 N ATOM 808 CA PHE A 47 -6.145 -5.916 -3.084 1.00 0.47 C ATOM 809 C PHE A 47 -6.869 -5.599 -1.784 1.00 0.44 C ATOM 810 O PHE A 47 -7.608 -6.428 -1.251 1.00 0.48 O ATOM 811 CB PHE A 47 -7.148 -6.174 -4.214 1.00 0.49 C ATOM 812 CG PHE A 47 -6.619 -5.824 -5.579 1.00 0.51 C ATOM 813 CD1 PHE A 47 -5.408 -6.335 -6.020 1.00 0.79 C ATOM 814 CD2 PHE A 47 -7.330 -4.990 -6.424 1.00 0.78 C ATOM 815 CE1 PHE A 47 -4.922 -6.022 -7.273 1.00 0.85 C ATOM 816 CE2 PHE A 47 -6.849 -4.675 -7.678 1.00 0.80 C ATOM 817 CZ PHE A 47 -5.641 -5.162 -8.095 1.00 0.63 C ATOM 0 H PHE A 47 -5.727 -7.957 -2.863 1.00 0.53 H new ATOM 0 HA PHE A 47 -5.541 -5.053 -3.364 1.00 0.47 H new ATOM 0 HB2 PHE A 47 -7.433 -7.226 -4.203 1.00 0.49 H new ATOM 0 HB3 PHE A 47 -8.053 -5.596 -4.025 1.00 0.49 H new ATOM 0 HD1 PHE A 47 -4.838 -6.986 -5.375 1.00 0.79 H new ATOM 0 HD2 PHE A 47 -8.274 -4.580 -6.097 1.00 0.78 H new ATOM 0 HE1 PHE A 47 -3.988 -6.443 -7.613 1.00 0.85 H new ATOM 0 HE2 PHE A 47 -7.429 -4.041 -8.333 1.00 0.80 H new ATOM 0 HZ PHE A 47 -5.247 -4.879 -9.060 1.00 0.63 H new ATOM 827 N GLY A 48 -6.637 -4.399 -1.278 1.00 0.42 N ATOM 828 CA GLY A 48 -7.204 -4.001 -0.009 1.00 0.41 C ATOM 829 C GLY A 48 -8.008 -2.726 -0.106 1.00 0.35 C ATOM 830 O GLY A 48 -8.113 -2.125 -1.178 1.00 0.34 O ATOM 0 H GLY A 48 -6.061 -3.688 -1.728 1.00 0.42 H new ATOM 0 HA2 GLY A 48 -7.842 -4.801 0.366 1.00 0.41 H new ATOM 0 HA3 GLY A 48 -6.402 -3.866 0.717 1.00 0.41 H new ATOM 834 N LEU A 49 -8.562 -2.300 1.018 1.00 0.31 N ATOM 835 CA LEU A 49 -9.408 -1.121 1.050 1.00 0.28 C ATOM 836 C LEU A 49 -8.629 0.089 1.549 1.00 0.29 C ATOM 837 O LEU A 49 -8.278 0.178 2.720 1.00 0.31 O ATOM 838 CB LEU A 49 -10.625 -1.363 1.944 1.00 0.26 C ATOM 839 CG LEU A 49 -11.510 -2.547 1.548 1.00 0.26 C ATOM 840 CD1 LEU A 49 -12.678 -2.674 2.509 1.00 0.27 C ATOM 841 CD2 LEU A 49 -12.012 -2.385 0.124 1.00 0.25 C ATOM 0 H LEU A 49 -8.439 -2.756 1.922 1.00 0.31 H new ATOM 0 HA LEU A 49 -9.749 -0.920 0.034 1.00 0.28 H new ATOM 0 HB2 LEU A 49 -10.278 -1.517 2.966 1.00 0.26 H new ATOM 0 HB3 LEU A 49 -11.236 -0.461 1.948 1.00 0.26 H new ATOM 0 HG LEU A 49 -10.914 -3.458 1.600 1.00 0.26 H new ATOM 0 HD11 LEU A 49 -13.300 -3.520 2.216 1.00 0.27 H new ATOM 0 HD12 LEU A 49 -12.302 -2.833 3.520 1.00 0.27 H new ATOM 0 HD13 LEU A 49 -13.272 -1.761 2.482 1.00 0.27 H new ATOM 0 HD21 LEU A 49 -12.639 -3.236 -0.140 1.00 0.25 H new ATOM 0 HD22 LEU A 49 -12.594 -1.467 0.046 1.00 0.25 H new ATOM 0 HD23 LEU A 49 -11.163 -2.335 -0.558 1.00 0.25 H new ATOM 853 N PHE A 50 -8.330 0.991 0.642 1.00 0.29 N ATOM 854 CA PHE A 50 -7.688 2.244 0.998 1.00 0.30 C ATOM 855 C PHE A 50 -8.748 3.316 1.193 1.00 0.30 C ATOM 856 O PHE A 50 -9.639 3.478 0.365 1.00 0.31 O ATOM 857 CB PHE A 50 -6.681 2.661 -0.077 1.00 0.34 C ATOM 858 CG PHE A 50 -5.906 3.908 0.258 1.00 0.34 C ATOM 859 CD1 PHE A 50 -4.768 3.850 1.053 1.00 0.37 C ATOM 860 CD2 PHE A 50 -6.317 5.142 -0.224 1.00 0.36 C ATOM 861 CE1 PHE A 50 -4.060 4.996 1.356 1.00 0.38 C ATOM 862 CE2 PHE A 50 -5.611 6.290 0.078 1.00 0.38 C ATOM 863 CZ PHE A 50 -4.482 6.216 0.870 1.00 0.37 C ATOM 0 H PHE A 50 -8.521 0.883 -0.354 1.00 0.29 H new ATOM 0 HA PHE A 50 -7.140 2.113 1.931 1.00 0.30 H new ATOM 0 HB2 PHE A 50 -5.980 1.843 -0.240 1.00 0.34 H new ATOM 0 HB3 PHE A 50 -7.212 2.817 -1.016 1.00 0.34 H new ATOM 0 HD1 PHE A 50 -4.434 2.898 1.438 1.00 0.37 H new ATOM 0 HD2 PHE A 50 -7.200 5.206 -0.843 1.00 0.36 H new ATOM 0 HE1 PHE A 50 -3.176 4.937 1.973 1.00 0.38 H new ATOM 0 HE2 PHE A 50 -5.941 7.244 -0.305 1.00 0.38 H new ATOM 0 HZ PHE A 50 -3.930 7.113 1.109 1.00 0.37 H new ATOM 873 N LEU A 51 -8.664 4.038 2.288 1.00 0.30 N ATOM 874 CA LEU A 51 -9.650 5.056 2.582 1.00 0.32 C ATOM 875 C LEU A 51 -9.166 6.390 2.041 1.00 0.36 C ATOM 876 O LEU A 51 -8.181 6.951 2.529 1.00 0.38 O ATOM 877 CB LEU A 51 -9.908 5.131 4.096 1.00 0.33 C ATOM 878 CG LEU A 51 -11.238 5.778 4.519 1.00 0.35 C ATOM 879 CD1 LEU A 51 -11.202 7.289 4.357 1.00 0.46 C ATOM 880 CD2 LEU A 51 -12.390 5.188 3.717 1.00 0.41 C ATOM 0 H LEU A 51 -7.928 3.941 2.987 1.00 0.30 H new ATOM 0 HA LEU A 51 -10.594 4.802 2.100 1.00 0.32 H new ATOM 0 HB2 LEU A 51 -9.873 4.120 4.502 1.00 0.33 H new ATOM 0 HB3 LEU A 51 -9.092 5.688 4.557 1.00 0.33 H new ATOM 0 HG LEU A 51 -11.391 5.562 5.576 1.00 0.35 H new ATOM 0 HD11 LEU A 51 -12.159 7.711 4.665 1.00 0.46 H new ATOM 0 HD12 LEU A 51 -10.406 7.703 4.977 1.00 0.46 H new ATOM 0 HD13 LEU A 51 -11.015 7.539 3.313 1.00 0.46 H new ATOM 0 HD21 LEU A 51 -13.325 5.655 4.026 1.00 0.41 H new ATOM 0 HD22 LEU A 51 -12.226 5.372 2.655 1.00 0.41 H new ATOM 0 HD23 LEU A 51 -12.444 4.114 3.894 1.00 0.41 H new ATOM 892 N SER A 52 -9.849 6.876 1.014 1.00 0.42 N ATOM 893 CA SER A 52 -9.481 8.121 0.365 1.00 0.53 C ATOM 894 C SER A 52 -9.940 9.311 1.201 1.00 0.61 C ATOM 895 O SER A 52 -10.939 9.963 0.890 1.00 0.93 O ATOM 896 CB SER A 52 -10.091 8.177 -1.036 1.00 0.67 C ATOM 897 OG SER A 52 -9.834 6.977 -1.748 1.00 1.28 O ATOM 0 H SER A 52 -10.668 6.420 0.611 1.00 0.42 H new ATOM 0 HA SER A 52 -8.396 8.167 0.275 1.00 0.53 H new ATOM 0 HB2 SER A 52 -11.167 8.338 -0.963 1.00 0.67 H new ATOM 0 HB3 SER A 52 -9.679 9.025 -1.583 1.00 0.67 H new ATOM 0 HG SER A 52 -10.235 7.034 -2.641 1.00 1.28 H new ATOM 903 N ASP A 53 -9.213 9.557 2.281 1.00 0.74 N ATOM 904 CA ASP A 53 -9.538 10.622 3.223 1.00 0.90 C ATOM 905 C ASP A 53 -9.434 11.991 2.560 1.00 1.04 C ATOM 906 O ASP A 53 -10.406 12.742 2.503 1.00 1.28 O ATOM 907 CB ASP A 53 -8.587 10.553 4.422 1.00 0.89 C ATOM 908 CG ASP A 53 -8.942 11.536 5.517 1.00 1.18 C ATOM 909 OD1 ASP A 53 -9.768 11.192 6.390 1.00 1.42 O ATOM 910 OD2 ASP A 53 -8.413 12.668 5.500 1.00 1.24 O ATOM 0 H ASP A 53 -8.380 9.024 2.531 1.00 0.74 H new ATOM 0 HA ASP A 53 -10.566 10.484 3.559 1.00 0.90 H new ATOM 0 HB2 ASP A 53 -8.599 9.543 4.831 1.00 0.89 H new ATOM 0 HB3 ASP A 53 -7.569 10.747 4.083 1.00 0.89 H new ATOM 915 N ASP A 54 -8.248 12.292 2.048 1.00 0.93 N ATOM 916 CA ASP A 54 -7.967 13.584 1.426 1.00 1.10 C ATOM 917 C ASP A 54 -6.605 13.530 0.746 1.00 1.02 C ATOM 918 O ASP A 54 -6.482 13.746 -0.459 1.00 1.22 O ATOM 919 CB ASP A 54 -8.000 14.695 2.485 1.00 1.26 C ATOM 920 CG ASP A 54 -7.630 16.057 1.936 1.00 1.47 C ATOM 921 OD1 ASP A 54 -8.331 16.557 1.031 1.00 1.73 O ATOM 922 OD2 ASP A 54 -6.649 16.647 2.435 1.00 1.45 O ATOM 0 H ASP A 54 -7.454 11.651 2.051 1.00 0.93 H new ATOM 0 HA ASP A 54 -8.728 13.803 0.677 1.00 1.10 H new ATOM 0 HB2 ASP A 54 -8.999 14.745 2.918 1.00 1.26 H new ATOM 0 HB3 ASP A 54 -7.315 14.438 3.293 1.00 1.26 H new ATOM 927 N ASP A 55 -5.591 13.216 1.535 1.00 0.87 N ATOM 928 CA ASP A 55 -4.244 12.973 1.028 1.00 0.94 C ATOM 929 C ASP A 55 -3.913 11.501 1.260 1.00 0.87 C ATOM 930 O ASP A 55 -4.430 10.913 2.209 1.00 0.71 O ATOM 931 CB ASP A 55 -3.240 13.884 1.760 1.00 0.99 C ATOM 932 CG ASP A 55 -1.796 13.674 1.336 1.00 1.39 C ATOM 933 OD1 ASP A 55 -1.107 12.828 1.948 1.00 1.79 O ATOM 934 OD2 ASP A 55 -1.347 14.346 0.383 1.00 1.58 O ATOM 0 H ASP A 55 -5.675 13.121 2.547 1.00 0.87 H new ATOM 0 HA ASP A 55 -4.185 13.199 -0.037 1.00 0.94 H new ATOM 0 HB2 ASP A 55 -3.513 14.924 1.583 1.00 0.99 H new ATOM 0 HB3 ASP A 55 -3.322 13.711 2.833 1.00 0.99 H new ATOM 939 N PRO A 56 -3.097 10.867 0.395 1.00 1.06 N ATOM 940 CA PRO A 56 -2.703 9.460 0.556 1.00 1.08 C ATOM 941 C PRO A 56 -2.178 9.148 1.957 1.00 0.98 C ATOM 942 O PRO A 56 -2.385 8.053 2.476 1.00 0.97 O ATOM 943 CB PRO A 56 -1.591 9.262 -0.488 1.00 1.35 C ATOM 944 CG PRO A 56 -1.266 10.626 -1.002 1.00 1.48 C ATOM 945 CD PRO A 56 -2.509 11.445 -0.818 1.00 1.33 C ATOM 0 HA PRO A 56 -3.555 8.794 0.419 1.00 1.08 H new ATOM 0 HB2 PRO A 56 -0.714 8.794 -0.041 1.00 1.35 H new ATOM 0 HB3 PRO A 56 -1.924 8.609 -1.295 1.00 1.35 H new ATOM 0 HG2 PRO A 56 -0.429 11.060 -0.455 1.00 1.48 H new ATOM 0 HG3 PRO A 56 -0.976 10.588 -2.052 1.00 1.48 H new ATOM 0 HD2 PRO A 56 -2.282 12.504 -0.693 1.00 1.33 H new ATOM 0 HD3 PRO A 56 -3.180 11.361 -1.673 1.00 1.33 H new ATOM 953 N LYS A 57 -1.519 10.123 2.575 1.00 0.99 N ATOM 954 CA LYS A 57 -0.961 9.946 3.908 1.00 1.02 C ATOM 955 C LYS A 57 -2.028 10.146 4.976 1.00 0.82 C ATOM 956 O LYS A 57 -1.967 9.550 6.052 1.00 0.87 O ATOM 957 CB LYS A 57 0.186 10.918 4.124 1.00 1.25 C ATOM 958 CG LYS A 57 1.275 10.776 3.080 1.00 1.51 C ATOM 959 CD LYS A 57 2.514 11.551 3.464 1.00 1.62 C ATOM 960 CE LYS A 57 2.218 13.031 3.636 1.00 2.08 C ATOM 961 NZ LYS A 57 1.494 13.599 2.464 1.00 2.93 N ATOM 0 H LYS A 57 -1.359 11.046 2.171 1.00 0.99 H new ATOM 0 HA LYS A 57 -0.585 8.926 3.990 1.00 1.02 H new ATOM 0 HB2 LYS A 57 -0.199 11.938 4.106 1.00 1.25 H new ATOM 0 HB3 LYS A 57 0.613 10.756 5.114 1.00 1.25 H new ATOM 0 HG2 LYS A 57 1.527 9.723 2.956 1.00 1.51 H new ATOM 0 HG3 LYS A 57 0.906 11.131 2.117 1.00 1.51 H new ATOM 0 HD2 LYS A 57 2.921 11.151 4.393 1.00 1.62 H new ATOM 0 HD3 LYS A 57 3.278 11.419 2.698 1.00 1.62 H new ATOM 0 HE2 LYS A 57 1.621 13.178 4.536 1.00 2.08 H new ATOM 0 HE3 LYS A 57 3.153 13.573 3.781 1.00 2.08 H new ATOM 0 HZ1 LYS A 57 1.462 14.635 2.545 1.00 2.93 H new ATOM 0 HZ2 LYS A 57 1.990 13.335 1.589 1.00 2.93 H new ATOM 0 HZ3 LYS A 57 0.524 13.224 2.440 1.00 2.93 H new ATOM 975 N LYS A 58 -3.006 10.987 4.670 1.00 0.69 N ATOM 976 CA LYS A 58 -4.113 11.233 5.580 1.00 0.65 C ATOM 977 C LYS A 58 -5.083 10.062 5.541 1.00 0.56 C ATOM 978 O LYS A 58 -5.787 9.784 6.516 1.00 0.63 O ATOM 979 CB LYS A 58 -4.814 12.536 5.202 1.00 0.73 C ATOM 980 CG LYS A 58 -3.898 13.747 5.286 1.00 0.94 C ATOM 981 CD LYS A 58 -4.558 15.003 4.746 1.00 1.24 C ATOM 982 CE LYS A 58 -5.766 15.407 5.569 1.00 1.55 C ATOM 983 NZ LYS A 58 -6.342 16.696 5.109 1.00 2.16 N ATOM 0 H LYS A 58 -3.054 11.511 3.796 1.00 0.69 H new ATOM 0 HA LYS A 58 -3.734 11.330 6.597 1.00 0.65 H new ATOM 0 HB2 LYS A 58 -5.204 12.452 4.188 1.00 0.73 H new ATOM 0 HB3 LYS A 58 -5.669 12.687 5.861 1.00 0.73 H new ATOM 0 HG2 LYS A 58 -3.607 13.909 6.324 1.00 0.94 H new ATOM 0 HG3 LYS A 58 -2.984 13.549 4.726 1.00 0.94 H new ATOM 0 HD2 LYS A 58 -3.835 15.818 4.739 1.00 1.24 H new ATOM 0 HD3 LYS A 58 -4.862 14.837 3.712 1.00 1.24 H new ATOM 0 HE2 LYS A 58 -6.525 14.627 5.507 1.00 1.55 H new ATOM 0 HE3 LYS A 58 -5.480 15.491 6.617 1.00 1.55 H new ATOM 0 HZ1 LYS A 58 -7.376 16.671 5.214 1.00 2.16 H new ATOM 0 HZ2 LYS A 58 -5.954 17.473 5.681 1.00 2.16 H new ATOM 0 HZ3 LYS A 58 -6.099 16.847 4.109 1.00 2.16 H new ATOM 997 N GLY A 59 -5.103 9.376 4.406 1.00 0.54 N ATOM 998 CA GLY A 59 -5.875 8.162 4.276 1.00 0.59 C ATOM 999 C GLY A 59 -5.165 6.992 4.917 1.00 0.54 C ATOM 1000 O GLY A 59 -4.049 7.138 5.417 1.00 0.58 O ATOM 0 H GLY A 59 -4.591 9.645 3.566 1.00 0.54 H new ATOM 0 HA2 GLY A 59 -6.852 8.297 4.741 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -6.051 7.951 3.221 1.00 0.59 H new ATOM 1004 N ILE A 60 -5.789 5.825 4.890 1.00 0.49 N ATOM 1005 CA ILE A 60 -5.245 4.655 5.573 1.00 0.47 C ATOM 1006 C ILE A 60 -5.598 3.377 4.833 1.00 0.42 C ATOM 1007 O ILE A 60 -6.474 3.370 3.966 1.00 0.41 O ATOM 1008 CB ILE A 60 -5.776 4.533 7.023 1.00 0.51 C ATOM 1009 CG1 ILE A 60 -7.305 4.627 7.035 1.00 0.55 C ATOM 1010 CG2 ILE A 60 -5.157 5.590 7.928 1.00 0.60 C ATOM 1011 CD1 ILE A 60 -7.920 4.415 8.401 1.00 0.65 C ATOM 0 H ILE A 60 -6.671 5.660 4.405 1.00 0.49 H new ATOM 0 HA ILE A 60 -4.164 4.791 5.595 1.00 0.47 H new ATOM 0 HB ILE A 60 -5.485 3.558 7.414 1.00 0.51 H new ATOM 0 HG12 ILE A 60 -7.602 5.607 6.661 1.00 0.55 H new ATOM 0 HG13 ILE A 60 -7.710 3.886 6.346 1.00 0.55 H new ATOM 0 HG21 ILE A 60 -5.549 5.479 8.939 1.00 0.60 H new ATOM 0 HG22 ILE A 60 -4.074 5.467 7.943 1.00 0.60 H new ATOM 0 HG23 ILE A 60 -5.404 6.582 7.550 1.00 0.60 H new ATOM 0 HD11 ILE A 60 -9.005 4.497 8.328 1.00 0.65 H new ATOM 0 HD12 ILE A 60 -7.655 3.424 8.770 1.00 0.65 H new ATOM 0 HD13 ILE A 60 -7.545 5.171 9.090 1.00 0.65 H new ATOM 1023 N TRP A 61 -4.915 2.297 5.189 1.00 0.42 N ATOM 1024 CA TRP A 61 -5.262 0.981 4.682 1.00 0.40 C ATOM 1025 C TRP A 61 -6.188 0.293 5.668 1.00 0.40 C ATOM 1026 O TRP A 61 -5.850 0.122 6.842 1.00 0.48 O ATOM 1027 CB TRP A 61 -4.021 0.118 4.440 1.00 0.44 C ATOM 1028 CG TRP A 61 -3.248 0.515 3.222 1.00 0.43 C ATOM 1029 CD1 TRP A 61 -2.114 1.260 3.184 1.00 0.48 C ATOM 1030 CD2 TRP A 61 -3.557 0.185 1.864 1.00 0.41 C ATOM 1031 NE1 TRP A 61 -1.700 1.432 1.888 1.00 0.49 N ATOM 1032 CE2 TRP A 61 -2.569 0.779 1.056 1.00 0.45 C ATOM 1033 CE3 TRP A 61 -4.574 -0.549 1.253 1.00 0.41 C ATOM 1034 CZ2 TRP A 61 -2.569 0.659 -0.328 1.00 0.48 C ATOM 1035 CZ3 TRP A 61 -4.574 -0.669 -0.122 1.00 0.45 C ATOM 1036 CH2 TRP A 61 -3.578 -0.066 -0.899 1.00 0.48 C ATOM 0 H TRP A 61 -4.119 2.309 5.826 1.00 0.42 H new ATOM 0 HA TRP A 61 -5.763 1.108 3.723 1.00 0.40 H new ATOM 0 HB2 TRP A 61 -3.369 0.180 5.311 1.00 0.44 H new ATOM 0 HB3 TRP A 61 -4.326 -0.924 4.344 1.00 0.44 H new ATOM 0 HD1 TRP A 61 -1.610 1.660 4.051 1.00 0.48 H new ATOM 0 HE1 TRP A 61 -0.879 1.960 1.592 1.00 0.49 H new ATOM 0 HE3 TRP A 61 -5.348 -1.015 1.845 1.00 0.41 H new ATOM 0 HZ2 TRP A 61 -1.801 1.121 -0.930 1.00 0.48 H new ATOM 0 HZ3 TRP A 61 -5.355 -1.237 -0.606 1.00 0.45 H new ATOM 0 HH2 TRP A 61 -3.607 -0.176 -1.973 1.00 0.48 H new ATOM 1047 N LEU A 62 -7.358 -0.074 5.192 1.00 0.36 N ATOM 1048 CA LEU A 62 -8.348 -0.722 6.020 1.00 0.37 C ATOM 1049 C LEU A 62 -8.031 -2.205 6.143 1.00 0.42 C ATOM 1050 O LEU A 62 -8.119 -2.949 5.167 1.00 0.43 O ATOM 1051 CB LEU A 62 -9.739 -0.521 5.412 1.00 0.33 C ATOM 1052 CG LEU A 62 -10.117 0.932 5.114 1.00 0.31 C ATOM 1053 CD1 LEU A 62 -11.463 1.002 4.423 1.00 0.29 C ATOM 1054 CD2 LEU A 62 -10.144 1.753 6.386 1.00 0.35 C ATOM 0 H LEU A 62 -7.648 0.068 4.224 1.00 0.36 H new ATOM 0 HA LEU A 62 -8.332 -0.280 7.016 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -9.799 -1.092 4.486 1.00 0.33 H new ATOM 0 HB3 LEU A 62 -10.480 -0.940 6.093 1.00 0.33 H new ATOM 0 HG LEU A 62 -9.359 1.347 4.449 1.00 0.31 H new ATOM 0 HD11 LEU A 62 -11.714 2.043 4.220 1.00 0.29 H new ATOM 0 HD12 LEU A 62 -11.419 0.449 3.485 1.00 0.29 H new ATOM 0 HD13 LEU A 62 -12.226 0.564 5.067 1.00 0.29 H new ATOM 0 HD21 LEU A 62 -10.415 2.782 6.149 1.00 0.35 H new ATOM 0 HD22 LEU A 62 -10.878 1.334 7.074 1.00 0.35 H new ATOM 0 HD23 LEU A 62 -9.159 1.735 6.851 1.00 0.35 H new ATOM 1066 N GLU A 63 -7.639 -2.625 7.337 1.00 0.48 N ATOM 1067 CA GLU A 63 -7.301 -4.020 7.578 1.00 0.55 C ATOM 1068 C GLU A 63 -8.556 -4.836 7.875 1.00 0.52 C ATOM 1069 O GLU A 63 -9.573 -4.294 8.316 1.00 0.48 O ATOM 1070 CB GLU A 63 -6.312 -4.132 8.740 1.00 0.65 C ATOM 1071 CG GLU A 63 -6.857 -3.604 10.057 1.00 0.68 C ATOM 1072 CD GLU A 63 -5.845 -3.679 11.176 1.00 1.07 C ATOM 1073 OE1 GLU A 63 -5.674 -4.772 11.755 1.00 1.42 O ATOM 1074 OE2 GLU A 63 -5.215 -2.646 11.484 1.00 1.30 O ATOM 0 H GLU A 63 -7.547 -2.020 8.153 1.00 0.48 H new ATOM 0 HA GLU A 63 -6.835 -4.420 6.678 1.00 0.55 H new ATOM 0 HB2 GLU A 63 -6.030 -5.177 8.866 1.00 0.65 H new ATOM 0 HB3 GLU A 63 -5.404 -3.585 8.487 1.00 0.65 H new ATOM 0 HG2 GLU A 63 -7.173 -2.569 9.926 1.00 0.68 H new ATOM 0 HG3 GLU A 63 -7.743 -4.175 10.334 1.00 0.68 H new ATOM 1081 N ALA A 64 -8.473 -6.138 7.643 1.00 0.58 N ATOM 1082 CA ALA A 64 -9.604 -7.036 7.852 1.00 0.58 C ATOM 1083 C ALA A 64 -10.003 -7.104 9.324 1.00 0.60 C ATOM 1084 O ALA A 64 -11.113 -7.512 9.657 1.00 0.65 O ATOM 1085 CB ALA A 64 -9.271 -8.423 7.328 1.00 0.64 C ATOM 0 H ALA A 64 -7.628 -6.601 7.307 1.00 0.58 H new ATOM 0 HA ALA A 64 -10.455 -6.639 7.299 1.00 0.58 H new ATOM 0 HB1 ALA A 64 -10.121 -9.086 7.488 1.00 0.64 H new ATOM 0 HB2 ALA A 64 -9.051 -8.366 6.262 1.00 0.64 H new ATOM 0 HB3 ALA A 64 -8.402 -8.813 7.857 1.00 0.64 H new ATOM 1091 N GLY A 65 -9.100 -6.671 10.194 1.00 0.64 N ATOM 1092 CA GLY A 65 -9.328 -6.765 11.621 1.00 0.70 C ATOM 1093 C GLY A 65 -10.226 -5.670 12.180 1.00 0.70 C ATOM 1094 O GLY A 65 -10.342 -5.537 13.398 1.00 0.84 O ATOM 0 H GLY A 65 -8.207 -6.253 9.933 1.00 0.64 H new ATOM 0 HA2 GLY A 65 -9.773 -7.735 11.844 1.00 0.70 H new ATOM 0 HA3 GLY A 65 -8.367 -6.730 12.135 1.00 0.70 H new ATOM 1098 N LYS A 66 -10.871 -4.889 11.317 1.00 0.60 N ATOM 1099 CA LYS A 66 -11.798 -3.867 11.790 1.00 0.61 C ATOM 1100 C LYS A 66 -12.900 -3.620 10.765 1.00 0.54 C ATOM 1101 O LYS A 66 -12.735 -3.899 9.570 1.00 0.47 O ATOM 1102 CB LYS A 66 -11.068 -2.552 12.129 1.00 0.66 C ATOM 1103 CG LYS A 66 -11.186 -1.461 11.072 1.00 0.60 C ATOM 1104 CD LYS A 66 -10.353 -1.743 9.837 1.00 0.56 C ATOM 1105 CE LYS A 66 -10.771 -0.843 8.687 1.00 0.61 C ATOM 1106 NZ LYS A 66 -12.144 -1.150 8.215 1.00 1.29 N ATOM 0 H LYS A 66 -10.771 -4.943 10.303 1.00 0.60 H new ATOM 0 HA LYS A 66 -12.255 -4.238 12.707 1.00 0.61 H new ATOM 0 HB2 LYS A 66 -11.460 -2.169 13.071 1.00 0.66 H new ATOM 0 HB3 LYS A 66 -10.012 -2.770 12.288 1.00 0.66 H new ATOM 0 HG2 LYS A 66 -12.231 -1.354 10.782 1.00 0.60 H new ATOM 0 HG3 LYS A 66 -10.876 -0.509 11.503 1.00 0.60 H new ATOM 0 HD2 LYS A 66 -9.298 -1.587 10.061 1.00 0.56 H new ATOM 0 HD3 LYS A 66 -10.467 -2.788 9.547 1.00 0.56 H new ATOM 0 HE2 LYS A 66 -10.721 0.199 9.004 1.00 0.61 H new ATOM 0 HE3 LYS A 66 -10.069 -0.959 7.861 1.00 0.61 H new ATOM 0 HZ1 LYS A 66 -12.219 -0.933 7.201 1.00 1.29 H new ATOM 0 HZ2 LYS A 66 -12.347 -2.158 8.369 1.00 1.29 H new ATOM 0 HZ3 LYS A 66 -12.830 -0.574 8.744 1.00 1.29 H new ATOM 1120 N ALA A 67 -14.011 -3.076 11.227 1.00 0.57 N ATOM 1121 CA ALA A 67 -15.143 -2.806 10.365 1.00 0.52 C ATOM 1122 C ALA A 67 -15.020 -1.407 9.769 1.00 0.47 C ATOM 1123 O ALA A 67 -14.055 -0.695 10.048 1.00 0.47 O ATOM 1124 CB ALA A 67 -16.429 -2.979 11.145 1.00 0.59 C ATOM 0 H ALA A 67 -14.152 -2.811 12.202 1.00 0.57 H new ATOM 0 HA ALA A 67 -15.158 -3.515 9.537 1.00 0.52 H new ATOM 0 HB1 ALA A 67 -17.279 -2.775 10.494 1.00 0.59 H new ATOM 0 HB2 ALA A 67 -16.494 -4.001 11.518 1.00 0.59 H new ATOM 0 HB3 ALA A 67 -16.441 -2.285 11.986 1.00 0.59 H new ATOM 1130 N LEU A 68 -15.965 -1.012 8.936 1.00 0.45 N ATOM 1131 CA LEU A 68 -15.851 0.255 8.222 1.00 0.40 C ATOM 1132 C LEU A 68 -16.282 1.430 9.103 1.00 0.43 C ATOM 1133 O LEU A 68 -15.505 2.350 9.350 1.00 0.44 O ATOM 1134 CB LEU A 68 -16.686 0.220 6.949 1.00 0.37 C ATOM 1135 CG LEU A 68 -16.389 -0.946 6.004 1.00 0.36 C ATOM 1136 CD1 LEU A 68 -17.314 -0.905 4.797 1.00 0.36 C ATOM 1137 CD2 LEU A 68 -14.937 -0.910 5.562 1.00 0.37 C ATOM 0 H LEU A 68 -16.814 -1.541 8.735 1.00 0.45 H new ATOM 0 HA LEU A 68 -14.803 0.398 7.958 1.00 0.40 H new ATOM 0 HB2 LEU A 68 -17.740 0.182 7.226 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -16.532 1.153 6.407 1.00 0.37 H new ATOM 0 HG LEU A 68 -16.566 -1.879 6.540 1.00 0.36 H new ATOM 0 HD11 LEU A 68 -17.088 -1.742 4.136 1.00 0.36 H new ATOM 0 HD12 LEU A 68 -18.350 -0.975 5.130 1.00 0.36 H new ATOM 0 HD13 LEU A 68 -17.168 0.032 4.259 1.00 0.36 H new ATOM 0 HD21 LEU A 68 -14.740 -1.745 4.890 1.00 0.37 H new ATOM 0 HD22 LEU A 68 -14.738 0.028 5.043 1.00 0.37 H new ATOM 0 HD23 LEU A 68 -14.289 -0.986 6.435 1.00 0.37 H new ATOM 1149 N ASP A 69 -17.513 1.361 9.589 1.00 0.47 N ATOM 1150 CA ASP A 69 -18.107 2.413 10.430 1.00 0.52 C ATOM 1151 C ASP A 69 -17.428 2.475 11.794 1.00 0.58 C ATOM 1152 O ASP A 69 -17.653 3.399 12.577 1.00 0.65 O ATOM 1153 CB ASP A 69 -19.617 2.167 10.588 1.00 0.58 C ATOM 1154 CG ASP A 69 -20.290 3.067 11.609 1.00 0.86 C ATOM 1155 OD1 ASP A 69 -20.656 4.209 11.260 1.00 1.14 O ATOM 1156 OD2 ASP A 69 -20.481 2.626 12.763 1.00 1.16 O ATOM 0 H ASP A 69 -18.138 0.574 9.415 1.00 0.47 H new ATOM 0 HA ASP A 69 -17.954 3.374 9.939 1.00 0.52 H new ATOM 0 HB2 ASP A 69 -20.100 2.308 9.621 1.00 0.58 H new ATOM 0 HB3 ASP A 69 -19.776 1.128 10.875 1.00 0.58 H new ATOM 1161 N TYR A 70 -16.609 1.473 12.083 1.00 0.59 N ATOM 1162 CA TYR A 70 -15.727 1.520 13.231 1.00 0.65 C ATOM 1163 C TYR A 70 -14.852 2.773 13.138 1.00 0.62 C ATOM 1164 O TYR A 70 -14.593 3.449 14.137 1.00 0.67 O ATOM 1165 CB TYR A 70 -14.900 0.225 13.283 1.00 0.69 C ATOM 1166 CG TYR A 70 -13.647 0.303 14.114 1.00 0.81 C ATOM 1167 CD1 TYR A 70 -13.718 0.216 15.493 1.00 1.02 C ATOM 1168 CD2 TYR A 70 -12.404 0.481 13.528 1.00 0.84 C ATOM 1169 CE1 TYR A 70 -12.585 0.299 16.272 1.00 1.21 C ATOM 1170 CE2 TYR A 70 -11.262 0.567 14.300 1.00 1.05 C ATOM 1171 CZ TYR A 70 -11.317 0.422 15.617 1.00 1.22 C ATOM 1172 OH TYR A 70 -10.226 0.567 16.455 1.00 1.45 O ATOM 0 H TYR A 70 -16.540 0.617 11.533 1.00 0.59 H new ATOM 0 HA TYR A 70 -16.294 1.584 14.160 1.00 0.65 H new ATOM 0 HB2 TYR A 70 -15.529 -0.574 13.675 1.00 0.69 H new ATOM 0 HB3 TYR A 70 -14.626 -0.055 12.266 1.00 0.69 H new ATOM 0 HD1 TYR A 70 -14.679 0.081 15.967 1.00 1.02 H new ATOM 0 HD2 TYR A 70 -12.327 0.553 12.453 1.00 0.84 H new ATOM 0 HE1 TYR A 70 -12.651 0.272 17.350 1.00 1.21 H new ATOM 0 HE2 TYR A 70 -10.311 0.755 13.824 1.00 1.05 H new ATOM 0 HH TYR A 70 -9.409 0.642 15.919 1.00 1.45 H new ATOM 1182 N TYR A 71 -14.395 3.065 11.924 1.00 0.57 N ATOM 1183 CA TYR A 71 -13.766 4.344 11.615 1.00 0.58 C ATOM 1184 C TYR A 71 -14.818 5.417 11.330 1.00 0.60 C ATOM 1185 O TYR A 71 -15.982 5.280 11.700 1.00 0.69 O ATOM 1186 CB TYR A 71 -12.817 4.195 10.428 1.00 0.56 C ATOM 1187 CG TYR A 71 -11.476 3.637 10.826 1.00 0.56 C ATOM 1188 CD1 TYR A 71 -10.468 4.462 11.305 1.00 0.58 C ATOM 1189 CD2 TYR A 71 -11.215 2.280 10.701 1.00 0.62 C ATOM 1190 CE1 TYR A 71 -9.232 3.941 11.649 1.00 0.63 C ATOM 1191 CE2 TYR A 71 -9.988 1.754 11.047 1.00 0.66 C ATOM 1192 CZ TYR A 71 -9.006 2.630 11.600 1.00 0.65 C ATOM 1193 OH TYR A 71 -7.770 2.060 11.852 1.00 0.72 O ATOM 0 H TYR A 71 -14.450 2.426 11.131 1.00 0.57 H new ATOM 0 HA TYR A 71 -13.190 4.660 12.485 1.00 0.58 H new ATOM 0 HB2 TYR A 71 -13.272 3.542 9.683 1.00 0.56 H new ATOM 0 HB3 TYR A 71 -12.676 5.167 9.956 1.00 0.56 H new ATOM 0 HD1 TYR A 71 -10.649 5.521 11.411 1.00 0.58 H new ATOM 0 HD2 TYR A 71 -11.987 1.624 10.326 1.00 0.62 H new ATOM 0 HE1 TYR A 71 -8.441 4.607 11.961 1.00 0.63 H new ATOM 0 HE2 TYR A 71 -9.775 0.705 10.903 1.00 0.66 H new ATOM 0 HH TYR A 71 -7.834 1.086 11.761 1.00 0.72 H new ATOM 1203 N MET A 72 -14.410 6.484 10.662 1.00 0.60 N ATOM 1204 CA MET A 72 -15.326 7.566 10.339 1.00 0.69 C ATOM 1205 C MET A 72 -15.767 7.494 8.886 1.00 0.63 C ATOM 1206 O MET A 72 -15.378 8.334 8.072 1.00 0.75 O ATOM 1207 CB MET A 72 -14.676 8.916 10.616 1.00 0.83 C ATOM 1208 CG MET A 72 -14.495 9.204 12.094 1.00 1.02 C ATOM 1209 SD MET A 72 -16.059 9.216 12.995 1.00 1.73 S ATOM 1210 CE MET A 72 -16.909 10.576 12.193 1.00 2.38 C ATOM 0 H MET A 72 -13.454 6.624 10.334 1.00 0.60 H new ATOM 0 HA MET A 72 -16.206 7.458 10.973 1.00 0.69 H new ATOM 0 HB2 MET A 72 -13.704 8.951 10.125 1.00 0.83 H new ATOM 0 HB3 MET A 72 -15.286 9.703 10.172 1.00 0.83 H new ATOM 0 HG2 MET A 72 -13.835 8.453 12.529 1.00 1.02 H new ATOM 0 HG3 MET A 72 -14.003 10.169 12.215 1.00 1.02 H new ATOM 0 HE1 MET A 72 -17.730 10.915 12.825 1.00 2.38 H new ATOM 0 HE2 MET A 72 -16.211 11.398 12.033 1.00 2.38 H new ATOM 0 HE3 MET A 72 -17.304 10.243 11.233 1.00 2.38 H new ATOM 1220 N LEU A 73 -16.555 6.480 8.548 1.00 0.56 N ATOM 1221 CA LEU A 73 -17.052 6.336 7.184 1.00 0.54 C ATOM 1222 C LEU A 73 -18.557 6.240 7.182 1.00 0.50 C ATOM 1223 O LEU A 73 -19.165 5.715 8.115 1.00 0.60 O ATOM 1224 CB LEU A 73 -16.487 5.099 6.477 1.00 0.71 C ATOM 1225 CG LEU A 73 -15.159 4.547 7.001 1.00 0.43 C ATOM 1226 CD1 LEU A 73 -14.791 3.294 6.236 1.00 0.88 C ATOM 1227 CD2 LEU A 73 -14.045 5.568 6.879 1.00 0.88 C ATOM 0 H LEU A 73 -16.862 5.751 9.193 1.00 0.56 H new ATOM 0 HA LEU A 73 -16.721 7.222 6.642 1.00 0.54 H new ATOM 0 HB2 LEU A 73 -17.231 4.305 6.536 1.00 0.71 H new ATOM 0 HB3 LEU A 73 -16.361 5.340 5.421 1.00 0.71 H new ATOM 0 HG LEU A 73 -15.285 4.312 8.058 1.00 0.43 H new ATOM 0 HD11 LEU A 73 -13.845 2.903 6.611 1.00 0.88 H new ATOM 0 HD12 LEU A 73 -15.571 2.545 6.368 1.00 0.88 H new ATOM 0 HD13 LEU A 73 -14.691 3.531 5.177 1.00 0.88 H new ATOM 0 HD21 LEU A 73 -13.117 5.142 7.261 1.00 0.88 H new ATOM 0 HD22 LEU A 73 -13.915 5.841 5.832 1.00 0.88 H new ATOM 0 HD23 LEU A 73 -14.301 6.456 7.457 1.00 0.88 H new ATOM 1239 N ARG A 74 -19.139 6.752 6.118 1.00 0.48 N ATOM 1240 CA ARG A 74 -20.573 6.747 5.932 1.00 0.52 C ATOM 1241 C ARG A 74 -20.920 7.142 4.507 1.00 0.46 C ATOM 1242 O ARG A 74 -20.058 7.157 3.628 1.00 0.45 O ATOM 1243 CB ARG A 74 -21.268 7.666 6.955 1.00 0.65 C ATOM 1244 CG ARG A 74 -20.618 9.037 7.166 1.00 1.17 C ATOM 1245 CD ARG A 74 -20.847 9.991 5.998 1.00 1.64 C ATOM 1246 NE ARG A 74 -19.615 10.251 5.255 1.00 2.05 N ATOM 1247 CZ ARG A 74 -19.426 11.296 4.449 1.00 2.72 C ATOM 1248 NH1 ARG A 74 -20.406 12.157 4.217 1.00 2.96 N ATOM 1249 NH2 ARG A 74 -18.248 11.474 3.865 1.00 3.29 N ATOM 0 H ARG A 74 -18.625 7.187 5.352 1.00 0.48 H new ATOM 0 HA ARG A 74 -20.940 5.735 6.103 1.00 0.52 H new ATOM 0 HB2 ARG A 74 -22.299 7.819 6.637 1.00 0.65 H new ATOM 0 HB3 ARG A 74 -21.303 7.150 7.914 1.00 0.65 H new ATOM 0 HG2 ARG A 74 -21.015 9.485 8.077 1.00 1.17 H new ATOM 0 HG3 ARG A 74 -19.546 8.906 7.316 1.00 1.17 H new ATOM 0 HD2 ARG A 74 -21.594 9.569 5.326 1.00 1.64 H new ATOM 0 HD3 ARG A 74 -21.251 10.932 6.372 1.00 1.64 H new ATOM 0 HE ARG A 74 -18.848 9.587 5.361 1.00 2.05 H new ATOM 0 HH11 ARG A 74 -21.317 12.024 4.657 1.00 2.96 H new ATOM 0 HH12 ARG A 74 -20.250 12.953 3.599 1.00 2.96 H new ATOM 0 HH21 ARG A 74 -17.490 10.812 4.033 1.00 3.29 H new ATOM 0 HH22 ARG A 74 -18.100 12.273 3.248 1.00 3.29 H new ATOM 1263 N ASN A 75 -22.181 7.463 4.298 1.00 0.49 N ATOM 1264 CA ASN A 75 -22.696 7.808 2.978 1.00 0.47 C ATOM 1265 C ASN A 75 -22.022 9.052 2.426 1.00 0.48 C ATOM 1266 O ASN A 75 -22.365 10.174 2.799 1.00 0.56 O ATOM 1267 CB ASN A 75 -24.211 8.012 3.040 1.00 0.52 C ATOM 1268 CG ASN A 75 -24.960 6.699 3.069 1.00 0.52 C ATOM 1269 OD1 ASN A 75 -25.409 6.208 2.041 1.00 0.72 O ATOM 1270 ND2 ASN A 75 -25.085 6.105 4.237 1.00 0.51 N ATOM 0 H ASN A 75 -22.883 7.494 5.037 1.00 0.49 H new ATOM 0 HA ASN A 75 -22.473 6.980 2.305 1.00 0.47 H new ATOM 0 HB2 ASN A 75 -24.462 8.592 3.928 1.00 0.52 H new ATOM 0 HB3 ASN A 75 -24.534 8.594 2.177 1.00 0.52 H new ATOM 0 HD21 ASN A 75 -25.567 5.209 4.304 1.00 0.51 H new ATOM 0 HD22 ASN A 75 -24.699 6.541 5.075 1.00 0.51 H new ATOM 1277 N GLY A 76 -21.054 8.846 1.547 1.00 0.45 N ATOM 1278 CA GLY A 76 -20.362 9.958 0.937 1.00 0.51 C ATOM 1279 C GLY A 76 -18.866 9.744 0.867 1.00 0.47 C ATOM 1280 O GLY A 76 -18.193 10.341 0.029 1.00 0.55 O ATOM 0 H GLY A 76 -20.735 7.925 1.245 1.00 0.45 H new ATOM 0 HA2 GLY A 76 -20.750 10.115 -0.069 1.00 0.51 H new ATOM 0 HA3 GLY A 76 -20.569 10.866 1.504 1.00 0.51 H new ATOM 1284 N ASP A 77 -18.339 8.889 1.736 1.00 0.42 N ATOM 1285 CA ASP A 77 -16.899 8.660 1.785 1.00 0.42 C ATOM 1286 C ASP A 77 -16.432 7.854 0.587 1.00 0.38 C ATOM 1287 O ASP A 77 -17.086 6.896 0.169 1.00 0.40 O ATOM 1288 CB ASP A 77 -16.492 7.944 3.076 1.00 0.44 C ATOM 1289 CG ASP A 77 -16.629 8.826 4.293 1.00 0.74 C ATOM 1290 OD1 ASP A 77 -15.799 9.737 4.472 1.00 1.05 O ATOM 1291 OD2 ASP A 77 -17.559 8.611 5.093 1.00 1.00 O ATOM 0 H ASP A 77 -18.880 8.348 2.410 1.00 0.42 H new ATOM 0 HA ASP A 77 -16.418 9.638 1.762 1.00 0.42 H new ATOM 0 HB2 ASP A 77 -17.109 7.055 3.204 1.00 0.44 H new ATOM 0 HB3 ASP A 77 -15.459 7.606 2.990 1.00 0.44 H new ATOM 1296 N THR A 78 -15.310 8.263 0.024 1.00 0.36 N ATOM 1297 CA THR A 78 -14.690 7.530 -1.057 1.00 0.35 C ATOM 1298 C THR A 78 -13.747 6.480 -0.487 1.00 0.31 C ATOM 1299 O THR A 78 -12.922 6.775 0.383 1.00 0.34 O ATOM 1300 CB THR A 78 -13.902 8.477 -1.986 1.00 0.42 C ATOM 1301 OG1 THR A 78 -14.747 9.556 -2.410 1.00 0.50 O ATOM 1302 CG2 THR A 78 -13.371 7.736 -3.206 1.00 0.42 C ATOM 0 H THR A 78 -14.808 9.106 0.303 1.00 0.36 H new ATOM 0 HA THR A 78 -15.475 7.048 -1.639 1.00 0.35 H new ATOM 0 HB THR A 78 -13.053 8.871 -1.427 1.00 0.42 H new ATOM 0 HG1 THR A 78 -14.242 10.155 -2.998 1.00 0.50 H new ATOM 0 HG21 THR A 78 -12.820 8.429 -3.842 1.00 0.42 H new ATOM 0 HG22 THR A 78 -12.707 6.934 -2.884 1.00 0.42 H new ATOM 0 HG23 THR A 78 -14.205 7.314 -3.767 1.00 0.42 H new ATOM 1310 N MET A 79 -13.871 5.259 -0.967 1.00 0.27 N ATOM 1311 CA MET A 79 -13.018 4.186 -0.518 1.00 0.27 C ATOM 1312 C MET A 79 -12.386 3.526 -1.727 1.00 0.28 C ATOM 1313 O MET A 79 -13.066 2.898 -2.539 1.00 0.27 O ATOM 1314 CB MET A 79 -13.807 3.164 0.298 1.00 0.23 C ATOM 1315 CG MET A 79 -12.921 2.258 1.138 1.00 0.27 C ATOM 1316 SD MET A 79 -13.859 1.058 2.104 1.00 0.65 S ATOM 1317 CE MET A 79 -14.486 0.007 0.803 1.00 0.24 C ATOM 0 H MET A 79 -14.558 4.988 -1.671 1.00 0.27 H new ATOM 0 HA MET A 79 -12.240 4.592 0.129 1.00 0.27 H new ATOM 0 HB2 MET A 79 -14.503 3.690 0.952 1.00 0.23 H new ATOM 0 HB3 MET A 79 -14.405 2.552 -0.378 1.00 0.23 H new ATOM 0 HG2 MET A 79 -12.228 1.728 0.484 1.00 0.27 H new ATOM 0 HG3 MET A 79 -12.320 2.869 1.812 1.00 0.27 H new ATOM 0 HE1 MET A 79 -14.458 -1.033 1.130 1.00 0.24 H new ATOM 0 HE2 MET A 79 -15.514 0.287 0.573 1.00 0.24 H new ATOM 0 HE3 MET A 79 -13.870 0.124 -0.088 1.00 0.24 H new ATOM 1327 N GLU A 80 -11.092 3.697 -1.849 1.00 0.32 N ATOM 1328 CA GLU A 80 -10.366 3.187 -2.985 1.00 0.35 C ATOM 1329 C GLU A 80 -10.129 1.693 -2.818 1.00 0.33 C ATOM 1330 O GLU A 80 -9.566 1.258 -1.812 1.00 0.33 O ATOM 1331 CB GLU A 80 -9.032 3.932 -3.091 1.00 0.40 C ATOM 1332 CG GLU A 80 -8.327 3.757 -4.422 1.00 0.53 C ATOM 1333 CD GLU A 80 -7.231 4.778 -4.645 1.00 0.69 C ATOM 1334 OE1 GLU A 80 -6.411 4.973 -3.726 1.00 1.04 O ATOM 1335 OE2 GLU A 80 -7.186 5.394 -5.730 1.00 1.04 O ATOM 0 H GLU A 80 -10.516 4.191 -1.167 1.00 0.32 H new ATOM 0 HA GLU A 80 -10.942 3.343 -3.897 1.00 0.35 H new ATOM 0 HB2 GLU A 80 -9.208 4.994 -2.922 1.00 0.40 H new ATOM 0 HB3 GLU A 80 -8.372 3.588 -2.295 1.00 0.40 H new ATOM 0 HG2 GLU A 80 -7.900 2.755 -4.473 1.00 0.53 H new ATOM 0 HG3 GLU A 80 -9.057 3.833 -5.227 1.00 0.53 H new ATOM 1342 N TYR A 81 -10.542 0.899 -3.794 1.00 0.33 N ATOM 1343 CA TYR A 81 -10.230 -0.512 -3.779 1.00 0.33 C ATOM 1344 C TYR A 81 -9.033 -0.721 -4.669 1.00 0.36 C ATOM 1345 O TYR A 81 -9.145 -0.747 -5.895 1.00 0.39 O ATOM 1346 CB TYR A 81 -11.411 -1.359 -4.264 1.00 0.33 C ATOM 1347 CG TYR A 81 -11.174 -2.850 -4.133 1.00 0.33 C ATOM 1348 CD1 TYR A 81 -11.426 -3.507 -2.936 1.00 0.34 C ATOM 1349 CD2 TYR A 81 -10.695 -3.600 -5.200 1.00 0.37 C ATOM 1350 CE1 TYR A 81 -11.208 -4.864 -2.803 1.00 0.36 C ATOM 1351 CE2 TYR A 81 -10.474 -4.959 -5.074 1.00 0.39 C ATOM 1352 CZ TYR A 81 -10.731 -5.585 -3.874 1.00 0.38 C ATOM 1353 OH TYR A 81 -10.510 -6.938 -3.742 1.00 0.42 O ATOM 0 H TYR A 81 -11.089 1.209 -4.597 1.00 0.33 H new ATOM 0 HA TYR A 81 -10.016 -0.829 -2.758 1.00 0.33 H new ATOM 0 HB2 TYR A 81 -12.301 -1.088 -3.695 1.00 0.33 H new ATOM 0 HB3 TYR A 81 -11.615 -1.121 -5.308 1.00 0.33 H new ATOM 0 HD1 TYR A 81 -11.800 -2.946 -2.092 1.00 0.34 H new ATOM 0 HD2 TYR A 81 -10.492 -3.114 -6.143 1.00 0.37 H new ATOM 0 HE1 TYR A 81 -11.411 -5.357 -1.864 1.00 0.36 H new ATOM 0 HE2 TYR A 81 -10.101 -5.528 -5.913 1.00 0.39 H new ATOM 0 HH TYR A 81 -10.772 -7.226 -2.843 1.00 0.42 H new ATOM 1363 N ARG A 82 -7.887 -0.833 -4.049 1.00 0.37 N ATOM 1364 CA ARG A 82 -6.644 -0.818 -4.791 1.00 0.39 C ATOM 1365 C ARG A 82 -5.711 -1.918 -4.333 1.00 0.40 C ATOM 1366 O ARG A 82 -5.918 -2.543 -3.291 1.00 0.42 O ATOM 1367 CB ARG A 82 -5.962 0.546 -4.671 1.00 0.42 C ATOM 1368 CG ARG A 82 -5.703 0.979 -3.240 1.00 0.44 C ATOM 1369 CD ARG A 82 -5.063 2.355 -3.176 1.00 0.56 C ATOM 1370 NE ARG A 82 -3.730 2.392 -3.781 1.00 0.65 N ATOM 1371 CZ ARG A 82 -3.111 3.525 -4.128 1.00 0.88 C ATOM 1372 NH1 ARG A 82 -3.746 4.688 -4.032 1.00 1.08 N ATOM 1373 NH2 ARG A 82 -1.873 3.494 -4.607 1.00 1.03 N ATOM 0 H ARG A 82 -7.784 -0.935 -3.039 1.00 0.37 H new ATOM 0 HA ARG A 82 -6.883 -0.999 -5.839 1.00 0.39 H new ATOM 0 HB2 ARG A 82 -5.014 0.516 -5.209 1.00 0.42 H new ATOM 0 HB3 ARG A 82 -6.583 1.296 -5.161 1.00 0.42 H new ATOM 0 HG2 ARG A 82 -6.642 0.989 -2.687 1.00 0.44 H new ATOM 0 HG3 ARG A 82 -5.053 0.252 -2.752 1.00 0.44 H new ATOM 0 HD2 ARG A 82 -5.707 3.074 -3.683 1.00 0.56 H new ATOM 0 HD3 ARG A 82 -4.993 2.669 -2.135 1.00 0.56 H new ATOM 0 HE ARG A 82 -3.249 1.508 -3.946 1.00 0.65 H new ATOM 0 HH11 ARG A 82 -4.708 4.718 -3.693 1.00 1.08 H new ATOM 0 HH12 ARG A 82 -3.272 5.551 -4.297 1.00 1.08 H new ATOM 0 HH21 ARG A 82 -1.389 2.602 -4.712 1.00 1.03 H new ATOM 0 HH22 ARG A 82 -1.406 4.362 -4.870 1.00 1.03 H new ATOM 1387 N LYS A 83 -4.685 -2.139 -5.125 1.00 0.43 N ATOM 1388 CA LYS A 83 -3.655 -3.100 -4.806 1.00 0.45 C ATOM 1389 C LYS A 83 -2.784 -2.533 -3.692 1.00 0.42 C ATOM 1390 O LYS A 83 -2.274 -1.415 -3.807 1.00 0.42 O ATOM 1391 CB LYS A 83 -2.849 -3.385 -6.075 1.00 0.53 C ATOM 1392 CG LYS A 83 -1.760 -4.435 -5.940 1.00 0.60 C ATOM 1393 CD LYS A 83 -1.342 -4.938 -7.312 1.00 0.70 C ATOM 1394 CE LYS A 83 -0.943 -3.784 -8.213 1.00 1.25 C ATOM 1395 NZ LYS A 83 -0.608 -4.231 -9.590 1.00 1.74 N ATOM 0 H LYS A 83 -4.542 -1.655 -6.011 1.00 0.43 H new ATOM 0 HA LYS A 83 -4.080 -4.040 -4.454 1.00 0.45 H new ATOM 0 HB2 LYS A 83 -3.538 -3.701 -6.858 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -2.391 -2.454 -6.410 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -0.899 -4.012 -5.422 1.00 0.60 H new ATOM 0 HG3 LYS A 83 -2.120 -5.267 -5.334 1.00 0.60 H new ATOM 0 HD2 LYS A 83 -0.507 -5.631 -7.211 1.00 0.70 H new ATOM 0 HD3 LYS A 83 -2.163 -5.492 -7.766 1.00 0.70 H new ATOM 0 HE2 LYS A 83 -1.758 -3.062 -8.256 1.00 1.25 H new ATOM 0 HE3 LYS A 83 -0.084 -3.270 -7.782 1.00 1.25 H new ATOM 0 HZ1 LYS A 83 -0.342 -3.408 -10.167 1.00 1.74 H new ATOM 0 HZ2 LYS A 83 0.187 -4.900 -9.554 1.00 1.74 H new ATOM 0 HZ3 LYS A 83 -1.435 -4.698 -10.014 1.00 1.74 H new ATOM 1409 N LYS A 84 -2.642 -3.290 -2.609 1.00 0.44 N ATOM 1410 CA LYS A 84 -1.915 -2.823 -1.436 1.00 0.46 C ATOM 1411 C LYS A 84 -0.468 -2.550 -1.781 1.00 0.46 C ATOM 1412 O LYS A 84 0.190 -1.727 -1.142 1.00 0.52 O ATOM 1413 CB LYS A 84 -1.974 -3.837 -0.296 1.00 0.54 C ATOM 1414 CG LYS A 84 -3.369 -4.123 0.225 1.00 0.55 C ATOM 1415 CD LYS A 84 -3.301 -4.925 1.511 1.00 0.66 C ATOM 1416 CE LYS A 84 -4.673 -5.389 1.963 1.00 0.67 C ATOM 1417 NZ LYS A 84 -4.580 -6.463 2.987 1.00 1.32 N ATOM 0 H LYS A 84 -3.022 -4.232 -2.520 1.00 0.44 H new ATOM 0 HA LYS A 84 -2.395 -1.901 -1.108 1.00 0.46 H new ATOM 0 HB2 LYS A 84 -1.529 -4.772 -0.636 1.00 0.54 H new ATOM 0 HB3 LYS A 84 -1.360 -3.473 0.528 1.00 0.54 H new ATOM 0 HG2 LYS A 84 -3.897 -3.186 0.401 1.00 0.55 H new ATOM 0 HG3 LYS A 84 -3.938 -4.673 -0.524 1.00 0.55 H new ATOM 0 HD2 LYS A 84 -2.655 -5.791 1.365 1.00 0.66 H new ATOM 0 HD3 LYS A 84 -2.847 -4.317 2.294 1.00 0.66 H new ATOM 0 HE2 LYS A 84 -5.227 -4.544 2.371 1.00 0.67 H new ATOM 0 HE3 LYS A 84 -5.236 -5.753 1.103 1.00 0.67 H new ATOM 0 HZ1 LYS A 84 -5.537 -6.755 3.272 1.00 1.32 H new ATOM 0 HZ2 LYS A 84 -4.073 -7.279 2.589 1.00 1.32 H new ATOM 0 HZ3 LYS A 84 -4.065 -6.107 3.817 1.00 1.32 H new ATOM 1431 N GLN A 85 0.026 -3.225 -2.803 1.00 0.44 N ATOM 1432 CA GLN A 85 1.391 -3.058 -3.233 1.00 0.47 C ATOM 1433 C GLN A 85 1.440 -2.130 -4.427 1.00 0.52 C ATOM 1434 O GLN A 85 0.525 -2.114 -5.250 1.00 0.83 O ATOM 1435 CB GLN A 85 2.019 -4.408 -3.591 1.00 0.53 C ATOM 1436 CG GLN A 85 1.035 -5.559 -3.674 1.00 0.50 C ATOM 1437 CD GLN A 85 1.729 -6.897 -3.808 1.00 0.64 C ATOM 1438 OE1 GLN A 85 1.959 -7.389 -4.913 1.00 1.10 O ATOM 1439 NE2 GLN A 85 2.091 -7.483 -2.682 1.00 0.72 N ATOM 0 H GLN A 85 -0.508 -3.899 -3.351 1.00 0.44 H new ATOM 0 HA GLN A 85 1.962 -2.623 -2.413 1.00 0.47 H new ATOM 0 HB2 GLN A 85 2.530 -4.314 -4.549 1.00 0.53 H new ATOM 0 HB3 GLN A 85 2.779 -4.649 -2.847 1.00 0.53 H new ATOM 0 HG2 GLN A 85 0.409 -5.564 -2.782 1.00 0.50 H new ATOM 0 HG3 GLN A 85 0.373 -5.408 -4.527 1.00 0.50 H new ATOM 0 HE21 GLN A 85 1.881 -7.041 -1.787 1.00 0.72 H new ATOM 0 HE22 GLN A 85 2.581 -8.377 -2.707 1.00 0.72 H new ATOM 1448 N ARG A 86 2.507 -1.365 -4.522 1.00 0.50 N ATOM 1449 CA ARG A 86 2.677 -0.434 -5.620 1.00 0.52 C ATOM 1450 C ARG A 86 4.070 -0.576 -6.218 1.00 0.50 C ATOM 1451 O ARG A 86 4.975 -1.099 -5.558 1.00 0.53 O ATOM 1452 CB ARG A 86 2.390 1.006 -5.174 1.00 0.67 C ATOM 1453 CG ARG A 86 2.752 1.328 -3.732 1.00 0.85 C ATOM 1454 CD ARG A 86 4.253 1.404 -3.500 1.00 0.98 C ATOM 1455 NE ARG A 86 4.554 2.339 -2.420 1.00 1.13 N ATOM 1456 CZ ARG A 86 4.349 2.083 -1.129 1.00 1.24 C ATOM 1457 NH1 ARG A 86 4.138 0.836 -0.718 1.00 1.62 N ATOM 1458 NH2 ARG A 86 4.392 3.075 -0.247 1.00 1.85 N ATOM 0 H ARG A 86 3.274 -1.369 -3.849 1.00 0.50 H new ATOM 0 HA ARG A 86 1.952 -0.675 -6.398 1.00 0.52 H new ATOM 0 HB2 ARG A 86 2.935 1.686 -5.828 1.00 0.67 H new ATOM 0 HB3 ARG A 86 1.329 1.208 -5.318 1.00 0.67 H new ATOM 0 HG2 ARG A 86 2.298 2.279 -3.453 1.00 0.85 H new ATOM 0 HG3 ARG A 86 2.327 0.567 -3.078 1.00 0.85 H new ATOM 0 HD2 ARG A 86 4.640 0.415 -3.252 1.00 0.98 H new ATOM 0 HD3 ARG A 86 4.753 1.722 -4.415 1.00 0.98 H new ATOM 0 HE ARG A 86 4.947 3.247 -2.670 1.00 1.13 H new ATOM 0 HH11 ARG A 86 4.133 0.071 -1.392 1.00 1.62 H new ATOM 0 HH12 ARG A 86 3.982 0.645 0.272 1.00 1.62 H new ATOM 0 HH21 ARG A 86 4.581 4.027 -0.559 1.00 1.85 H new ATOM 0 HH22 ARG A 86 4.236 2.885 0.743 1.00 1.85 H new ATOM 1472 N PRO A 87 4.248 -0.141 -7.479 1.00 0.52 N ATOM 1473 CA PRO A 87 5.506 -0.310 -8.205 1.00 0.52 C ATOM 1474 C PRO A 87 6.654 0.473 -7.579 1.00 0.53 C ATOM 1475 O PRO A 87 6.733 1.697 -7.690 1.00 0.62 O ATOM 1476 CB PRO A 87 5.195 0.218 -9.609 1.00 0.57 C ATOM 1477 CG PRO A 87 4.022 1.118 -9.434 1.00 0.86 C ATOM 1478 CD PRO A 87 3.228 0.541 -8.299 1.00 0.60 C ATOM 0 HA PRO A 87 5.837 -1.349 -8.195 1.00 0.52 H new ATOM 0 HB2 PRO A 87 6.046 0.757 -10.025 1.00 0.57 H new ATOM 0 HB3 PRO A 87 4.967 -0.598 -10.295 1.00 0.57 H new ATOM 0 HG2 PRO A 87 4.341 2.136 -9.210 1.00 0.86 H new ATOM 0 HG3 PRO A 87 3.425 1.164 -10.345 1.00 0.86 H new ATOM 0 HD2 PRO A 87 2.712 1.317 -7.734 1.00 0.60 H new ATOM 0 HD3 PRO A 87 2.467 -0.154 -8.654 1.00 0.60 H new ATOM 1486 N LEU A 88 7.524 -0.248 -6.896 1.00 0.50 N ATOM 1487 CA LEU A 88 8.678 0.357 -6.267 1.00 0.53 C ATOM 1488 C LEU A 88 9.931 0.085 -7.076 1.00 0.44 C ATOM 1489 O LEU A 88 10.229 -1.065 -7.403 1.00 0.42 O ATOM 1490 CB LEU A 88 8.830 -0.120 -4.824 1.00 0.63 C ATOM 1491 CG LEU A 88 7.949 0.635 -3.829 1.00 0.88 C ATOM 1492 CD1 LEU A 88 8.169 0.135 -2.413 1.00 1.19 C ATOM 1493 CD2 LEU A 88 8.237 2.123 -3.924 1.00 1.51 C ATOM 0 H LEU A 88 7.451 -1.257 -6.764 1.00 0.50 H new ATOM 0 HA LEU A 88 8.526 1.436 -6.239 1.00 0.53 H new ATOM 0 HB2 LEU A 88 8.590 -1.182 -4.775 1.00 0.63 H new ATOM 0 HB3 LEU A 88 9.873 -0.015 -4.524 1.00 0.63 H new ATOM 0 HG LEU A 88 6.904 0.455 -4.081 1.00 0.88 H new ATOM 0 HD11 LEU A 88 7.529 0.690 -1.727 1.00 1.19 H new ATOM 0 HD12 LEU A 88 7.924 -0.926 -2.359 1.00 1.19 H new ATOM 0 HD13 LEU A 88 9.212 0.281 -2.134 1.00 1.19 H new ATOM 0 HD21 LEU A 88 7.609 2.661 -3.214 1.00 1.51 H new ATOM 0 HD22 LEU A 88 9.286 2.306 -3.691 1.00 1.51 H new ATOM 0 HD23 LEU A 88 8.023 2.471 -4.935 1.00 1.51 H new ATOM 1505 N LYS A 89 10.656 1.143 -7.406 1.00 0.44 N ATOM 1506 CA LYS A 89 11.903 1.001 -8.133 1.00 0.42 C ATOM 1507 C LYS A 89 13.049 0.887 -7.155 1.00 0.39 C ATOM 1508 O LYS A 89 13.345 1.816 -6.412 1.00 0.42 O ATOM 1509 CB LYS A 89 12.149 2.170 -9.090 1.00 0.51 C ATOM 1510 CG LYS A 89 11.333 2.093 -10.370 1.00 0.69 C ATOM 1511 CD LYS A 89 9.880 2.465 -10.140 1.00 0.93 C ATOM 1512 CE LYS A 89 9.725 3.948 -9.845 1.00 1.49 C ATOM 1513 NZ LYS A 89 10.306 4.791 -10.924 1.00 2.11 N ATOM 0 H LYS A 89 10.402 2.105 -7.182 1.00 0.44 H new ATOM 0 HA LYS A 89 11.835 0.095 -8.736 1.00 0.42 H new ATOM 0 HB2 LYS A 89 11.917 3.103 -8.577 1.00 0.51 H new ATOM 0 HB3 LYS A 89 13.208 2.202 -9.346 1.00 0.51 H new ATOM 0 HG2 LYS A 89 11.765 2.760 -11.116 1.00 0.69 H new ATOM 0 HG3 LYS A 89 11.389 1.083 -10.776 1.00 0.69 H new ATOM 0 HD2 LYS A 89 9.293 2.205 -11.021 1.00 0.93 H new ATOM 0 HD3 LYS A 89 9.482 1.884 -9.308 1.00 0.93 H new ATOM 0 HE2 LYS A 89 8.668 4.186 -9.727 1.00 1.49 H new ATOM 0 HE3 LYS A 89 10.212 4.183 -8.899 1.00 1.49 H new ATOM 0 HZ1 LYS A 89 10.034 5.784 -10.773 1.00 2.11 H new ATOM 0 HZ2 LYS A 89 11.343 4.710 -10.908 1.00 2.11 H new ATOM 0 HZ3 LYS A 89 9.948 4.470 -11.846 1.00 2.11 H new ATOM 1527 N ILE A 90 13.695 -0.251 -7.182 1.00 0.36 N ATOM 1528 CA ILE A 90 14.756 -0.553 -6.243 1.00 0.33 C ATOM 1529 C ILE A 90 16.038 -0.836 -7.006 1.00 0.35 C ATOM 1530 O ILE A 90 16.012 -1.540 -8.014 1.00 0.36 O ATOM 1531 CB ILE A 90 14.407 -1.776 -5.360 1.00 0.32 C ATOM 1532 CG1 ILE A 90 13.043 -1.590 -4.683 1.00 0.35 C ATOM 1533 CG2 ILE A 90 15.491 -2.008 -4.313 1.00 0.33 C ATOM 1534 CD1 ILE A 90 12.987 -0.423 -3.718 1.00 0.36 C ATOM 0 H ILE A 90 13.504 -0.996 -7.852 1.00 0.36 H new ATOM 0 HA ILE A 90 14.884 0.311 -5.590 1.00 0.33 H new ATOM 0 HB ILE A 90 14.352 -2.653 -6.005 1.00 0.32 H new ATOM 0 HG12 ILE A 90 12.284 -1.449 -5.452 1.00 0.35 H new ATOM 0 HG13 ILE A 90 12.788 -2.504 -4.147 1.00 0.35 H new ATOM 0 HG21 ILE A 90 15.228 -2.872 -3.702 1.00 0.33 H new ATOM 0 HG22 ILE A 90 16.444 -2.192 -4.810 1.00 0.33 H new ATOM 0 HG23 ILE A 90 15.577 -1.127 -3.677 1.00 0.33 H new ATOM 0 HD11 ILE A 90 11.990 -0.359 -3.282 1.00 0.36 H new ATOM 0 HD12 ILE A 90 13.721 -0.570 -2.926 1.00 0.36 H new ATOM 0 HD13 ILE A 90 13.209 0.501 -4.251 1.00 0.36 H new ATOM 1546 N ARG A 91 17.147 -0.274 -6.554 1.00 0.38 N ATOM 1547 CA ARG A 91 18.439 -0.545 -7.157 1.00 0.43 C ATOM 1548 C ARG A 91 19.272 -1.427 -6.226 1.00 0.42 C ATOM 1549 O ARG A 91 19.438 -1.109 -5.046 1.00 0.44 O ATOM 1550 CB ARG A 91 19.166 0.774 -7.439 1.00 0.52 C ATOM 1551 CG ARG A 91 20.485 0.616 -8.178 1.00 0.57 C ATOM 1552 CD ARG A 91 21.111 1.966 -8.496 1.00 0.74 C ATOM 1553 NE ARG A 91 20.328 2.724 -9.475 1.00 0.72 N ATOM 1554 CZ ARG A 91 20.204 4.052 -9.467 1.00 1.09 C ATOM 1555 NH1 ARG A 91 20.813 4.773 -8.532 1.00 1.82 N ATOM 1556 NH2 ARG A 91 19.484 4.661 -10.403 1.00 1.12 N ATOM 0 H ARG A 91 17.177 0.375 -5.768 1.00 0.38 H new ATOM 0 HA ARG A 91 18.294 -1.073 -8.099 1.00 0.43 H new ATOM 0 HB2 ARG A 91 18.510 1.419 -8.024 1.00 0.52 H new ATOM 0 HB3 ARG A 91 19.352 1.282 -6.493 1.00 0.52 H new ATOM 0 HG2 ARG A 91 21.174 0.028 -7.572 1.00 0.57 H new ATOM 0 HG3 ARG A 91 20.321 0.063 -9.103 1.00 0.57 H new ATOM 0 HD2 ARG A 91 21.202 2.547 -7.578 1.00 0.74 H new ATOM 0 HD3 ARG A 91 22.120 1.815 -8.879 1.00 0.74 H new ATOM 0 HE ARG A 91 19.847 2.204 -10.209 1.00 0.72 H new ATOM 0 HH11 ARG A 91 21.377 4.311 -7.818 1.00 1.82 H new ATOM 0 HH12 ARG A 91 20.717 5.788 -8.528 1.00 1.82 H new ATOM 0 HH21 ARG A 91 19.024 4.113 -11.130 1.00 1.12 H new ATOM 0 HH22 ARG A 91 19.391 5.677 -10.394 1.00 1.12 H new ATOM 1570 N MET A 92 19.772 -2.543 -6.753 1.00 0.42 N ATOM 1571 CA MET A 92 20.615 -3.454 -5.991 1.00 0.44 C ATOM 1572 C MET A 92 22.050 -2.963 -5.966 1.00 0.48 C ATOM 1573 O MET A 92 22.405 -2.014 -6.672 1.00 0.51 O ATOM 1574 CB MET A 92 20.609 -4.868 -6.590 1.00 0.46 C ATOM 1575 CG MET A 92 19.288 -5.607 -6.494 1.00 0.57 C ATOM 1576 SD MET A 92 18.162 -5.215 -7.843 1.00 1.04 S ATOM 1577 CE MET A 92 16.937 -4.252 -6.970 1.00 0.34 C ATOM 0 H MET A 92 19.604 -2.838 -7.715 1.00 0.42 H new ATOM 0 HA MET A 92 20.206 -3.486 -4.981 1.00 0.44 H new ATOM 0 HB2 MET A 92 20.894 -4.801 -7.640 1.00 0.46 H new ATOM 0 HB3 MET A 92 21.375 -5.460 -6.089 1.00 0.46 H new ATOM 0 HG2 MET A 92 19.478 -6.680 -6.487 1.00 0.57 H new ATOM 0 HG3 MET A 92 18.809 -5.362 -5.546 1.00 0.57 H new ATOM 0 HE1 MET A 92 16.242 -3.812 -7.686 1.00 0.34 H new ATOM 0 HE2 MET A 92 16.390 -4.897 -6.283 1.00 0.34 H new ATOM 0 HE3 MET A 92 17.430 -3.459 -6.408 1.00 0.34 H new ATOM 1587 N LEU A 93 22.877 -3.672 -5.201 1.00 0.49 N ATOM 1588 CA LEU A 93 24.261 -3.282 -4.951 1.00 0.55 C ATOM 1589 C LEU A 93 25.057 -3.251 -6.252 1.00 0.61 C ATOM 1590 O LEU A 93 25.981 -2.454 -6.409 1.00 0.69 O ATOM 1591 CB LEU A 93 24.933 -4.253 -3.964 1.00 0.57 C ATOM 1592 CG LEU A 93 24.249 -4.438 -2.595 1.00 0.57 C ATOM 1593 CD1 LEU A 93 23.784 -3.104 -2.028 1.00 0.68 C ATOM 1594 CD2 LEU A 93 23.090 -5.428 -2.677 1.00 0.79 C ATOM 0 H LEU A 93 22.604 -4.537 -4.735 1.00 0.49 H new ATOM 0 HA LEU A 93 24.249 -2.283 -4.515 1.00 0.55 H new ATOM 0 HB2 LEU A 93 25.003 -5.230 -4.443 1.00 0.57 H new ATOM 0 HB3 LEU A 93 25.953 -3.909 -3.790 1.00 0.57 H new ATOM 0 HG LEU A 93 24.992 -4.854 -1.914 1.00 0.57 H new ATOM 0 HD11 LEU A 93 23.305 -3.266 -1.062 1.00 0.68 H new ATOM 0 HD12 LEU A 93 24.642 -2.443 -1.902 1.00 0.68 H new ATOM 0 HD13 LEU A 93 23.071 -2.646 -2.714 1.00 0.68 H new ATOM 0 HD21 LEU A 93 22.631 -5.534 -1.694 1.00 0.79 H new ATOM 0 HD22 LEU A 93 22.348 -5.061 -3.386 1.00 0.79 H new ATOM 0 HD23 LEU A 93 23.462 -6.397 -3.010 1.00 0.79 H new ATOM 1606 N ASP A 94 24.685 -4.127 -7.180 1.00 0.61 N ATOM 1607 CA ASP A 94 25.328 -4.193 -8.492 1.00 0.69 C ATOM 1608 C ASP A 94 25.035 -2.932 -9.296 1.00 0.66 C ATOM 1609 O ASP A 94 25.758 -2.588 -10.229 1.00 0.70 O ATOM 1610 CB ASP A 94 24.825 -5.420 -9.259 1.00 0.76 C ATOM 1611 CG ASP A 94 25.485 -5.591 -10.615 1.00 1.47 C ATOM 1612 OD1 ASP A 94 26.588 -6.175 -10.686 1.00 2.26 O ATOM 1613 OD2 ASP A 94 24.914 -5.112 -11.618 1.00 1.93 O ATOM 0 H ASP A 94 23.936 -4.807 -7.048 1.00 0.61 H new ATOM 0 HA ASP A 94 26.405 -4.273 -8.345 1.00 0.69 H new ATOM 0 HB2 ASP A 94 25.004 -6.313 -8.660 1.00 0.76 H new ATOM 0 HB3 ASP A 94 23.747 -5.338 -9.395 1.00 0.76 H new ATOM 1618 N GLY A 95 23.982 -2.233 -8.907 1.00 0.61 N ATOM 1619 CA GLY A 95 23.525 -1.094 -9.668 1.00 0.61 C ATOM 1620 C GLY A 95 22.341 -1.466 -10.526 1.00 0.58 C ATOM 1621 O GLY A 95 21.953 -0.726 -11.428 1.00 0.64 O ATOM 0 H GLY A 95 23.433 -2.437 -8.072 1.00 0.61 H new ATOM 0 HA2 GLY A 95 23.250 -0.285 -8.991 1.00 0.61 H new ATOM 0 HA3 GLY A 95 24.334 -0.722 -10.297 1.00 0.61 H new ATOM 1625 N THR A 96 21.779 -2.631 -10.242 1.00 0.54 N ATOM 1626 CA THR A 96 20.640 -3.147 -10.987 1.00 0.54 C ATOM 1627 C THR A 96 19.344 -2.570 -10.446 1.00 0.47 C ATOM 1628 O THR A 96 19.161 -2.503 -9.243 1.00 0.47 O ATOM 1629 CB THR A 96 20.576 -4.680 -10.861 1.00 0.62 C ATOM 1630 OG1 THR A 96 21.853 -5.251 -11.169 1.00 0.81 O ATOM 1631 CG2 THR A 96 19.514 -5.265 -11.777 1.00 0.61 C ATOM 0 H THR A 96 22.098 -3.244 -9.491 1.00 0.54 H new ATOM 0 HA THR A 96 20.764 -2.860 -12.031 1.00 0.54 H new ATOM 0 HB THR A 96 20.308 -4.923 -9.833 1.00 0.62 H new ATOM 0 HG1 THR A 96 21.804 -6.226 -11.085 1.00 0.81 H new ATOM 0 HG21 THR A 96 19.494 -6.349 -11.665 1.00 0.61 H new ATOM 0 HG22 THR A 96 18.539 -4.855 -11.513 1.00 0.61 H new ATOM 0 HG23 THR A 96 19.746 -5.012 -12.811 1.00 0.61 H new ATOM 1639 N VAL A 97 18.450 -2.150 -11.317 1.00 0.45 N ATOM 1640 CA VAL A 97 17.160 -1.687 -10.876 1.00 0.41 C ATOM 1641 C VAL A 97 16.068 -2.673 -11.253 1.00 0.38 C ATOM 1642 O VAL A 97 16.042 -3.214 -12.361 1.00 0.41 O ATOM 1643 CB VAL A 97 16.813 -0.303 -11.444 1.00 0.50 C ATOM 1644 CG1 VAL A 97 17.296 0.799 -10.516 1.00 1.07 C ATOM 1645 CG2 VAL A 97 17.401 -0.121 -12.826 1.00 1.11 C ATOM 0 H VAL A 97 18.595 -2.121 -12.326 1.00 0.45 H new ATOM 0 HA VAL A 97 17.217 -1.605 -9.791 1.00 0.41 H new ATOM 0 HB VAL A 97 15.728 -0.238 -11.522 1.00 0.50 H new ATOM 0 HG11 VAL A 97 17.039 1.770 -10.939 1.00 1.07 H new ATOM 0 HG12 VAL A 97 16.819 0.690 -9.542 1.00 1.07 H new ATOM 0 HG13 VAL A 97 18.378 0.729 -10.400 1.00 1.07 H new ATOM 0 HG21 VAL A 97 17.140 0.867 -13.205 1.00 1.11 H new ATOM 0 HG22 VAL A 97 18.486 -0.216 -12.775 1.00 1.11 H new ATOM 0 HG23 VAL A 97 17.001 -0.883 -13.495 1.00 1.11 H new ATOM 1655 N LYS A 98 15.174 -2.899 -10.316 1.00 0.35 N ATOM 1656 CA LYS A 98 14.023 -3.744 -10.551 1.00 0.35 C ATOM 1657 C LYS A 98 12.805 -3.115 -9.908 1.00 0.36 C ATOM 1658 O LYS A 98 12.925 -2.371 -8.934 1.00 0.37 O ATOM 1659 CB LYS A 98 14.229 -5.176 -10.028 1.00 0.38 C ATOM 1660 CG LYS A 98 13.988 -5.354 -8.535 1.00 0.41 C ATOM 1661 CD LYS A 98 13.682 -6.811 -8.181 1.00 0.43 C ATOM 1662 CE LYS A 98 12.307 -7.250 -8.679 1.00 0.43 C ATOM 1663 NZ LYS A 98 12.281 -7.514 -10.147 1.00 0.94 N ATOM 0 H LYS A 98 15.223 -2.506 -9.376 1.00 0.35 H new ATOM 0 HA LYS A 98 13.878 -3.824 -11.628 1.00 0.35 H new ATOM 0 HB2 LYS A 98 13.562 -5.845 -10.571 1.00 0.38 H new ATOM 0 HB3 LYS A 98 15.248 -5.488 -10.256 1.00 0.38 H new ATOM 0 HG2 LYS A 98 14.867 -5.022 -7.982 1.00 0.41 H new ATOM 0 HG3 LYS A 98 13.157 -4.721 -8.222 1.00 0.41 H new ATOM 0 HD2 LYS A 98 14.446 -7.456 -8.614 1.00 0.43 H new ATOM 0 HD3 LYS A 98 13.732 -6.939 -7.100 1.00 0.43 H new ATOM 0 HE2 LYS A 98 12.004 -8.152 -8.147 1.00 0.43 H new ATOM 0 HE3 LYS A 98 11.576 -6.478 -8.440 1.00 0.43 H new ATOM 0 HZ1 LYS A 98 11.715 -8.365 -10.337 1.00 0.94 H new ATOM 0 HZ2 LYS A 98 11.859 -6.701 -10.639 1.00 0.94 H new ATOM 0 HZ3 LYS A 98 13.252 -7.660 -10.491 1.00 0.94 H new ATOM 1677 N THR A 99 11.643 -3.396 -10.455 1.00 0.40 N ATOM 1678 CA THR A 99 10.414 -2.883 -9.902 1.00 0.44 C ATOM 1679 C THR A 99 9.600 -4.029 -9.326 1.00 0.47 C ATOM 1680 O THR A 99 9.136 -4.906 -10.057 1.00 0.58 O ATOM 1681 CB THR A 99 9.591 -2.143 -10.972 1.00 0.48 C ATOM 1682 OG1 THR A 99 10.390 -1.115 -11.576 1.00 0.50 O ATOM 1683 CG2 THR A 99 8.344 -1.531 -10.359 1.00 0.57 C ATOM 0 H THR A 99 11.526 -3.978 -11.284 1.00 0.40 H new ATOM 0 HA THR A 99 10.660 -2.173 -9.113 1.00 0.44 H new ATOM 0 HB THR A 99 9.288 -2.861 -11.734 1.00 0.48 H new ATOM 0 HG1 THR A 99 9.862 -0.648 -12.257 1.00 0.50 H new ATOM 0 HG21 THR A 99 7.776 -1.012 -11.131 1.00 0.57 H new ATOM 0 HG22 THR A 99 7.729 -2.318 -9.923 1.00 0.57 H new ATOM 0 HG23 THR A 99 8.631 -0.822 -9.582 1.00 0.57 H new ATOM 1691 N ILE A 100 9.450 -4.041 -8.015 1.00 0.42 N ATOM 1692 CA ILE A 100 8.743 -5.107 -7.338 1.00 0.44 C ATOM 1693 C ILE A 100 7.526 -4.515 -6.639 1.00 0.45 C ATOM 1694 O ILE A 100 7.552 -3.356 -6.216 1.00 0.45 O ATOM 1695 CB ILE A 100 9.676 -5.845 -6.336 1.00 0.48 C ATOM 1696 CG1 ILE A 100 9.068 -7.184 -5.884 1.00 0.61 C ATOM 1697 CG2 ILE A 100 10.000 -4.965 -5.134 1.00 0.48 C ATOM 1698 CD1 ILE A 100 8.177 -7.105 -4.662 1.00 0.50 C ATOM 0 H ILE A 100 9.813 -3.317 -7.395 1.00 0.42 H new ATOM 0 HA ILE A 100 8.412 -5.850 -8.064 1.00 0.44 H new ATOM 0 HB ILE A 100 10.608 -6.061 -6.858 1.00 0.48 H new ATOM 0 HG12 ILE A 100 8.490 -7.600 -6.709 1.00 0.61 H new ATOM 0 HG13 ILE A 100 9.879 -7.883 -5.679 1.00 0.61 H new ATOM 0 HG21 ILE A 100 10.654 -5.508 -4.451 1.00 0.48 H new ATOM 0 HG22 ILE A 100 10.501 -4.058 -5.472 1.00 0.48 H new ATOM 0 HG23 ILE A 100 9.077 -4.699 -4.618 1.00 0.48 H new ATOM 0 HD11 ILE A 100 7.798 -8.099 -4.423 1.00 0.50 H new ATOM 0 HD12 ILE A 100 8.751 -6.723 -3.817 1.00 0.50 H new ATOM 0 HD13 ILE A 100 7.340 -6.436 -4.864 1.00 0.50 H new ATOM 1710 N MET A 101 6.454 -5.280 -6.554 1.00 0.47 N ATOM 1711 CA MET A 101 5.245 -4.786 -5.923 1.00 0.50 C ATOM 1712 C MET A 101 5.263 -5.097 -4.437 1.00 0.50 C ATOM 1713 O MET A 101 5.185 -6.253 -4.024 1.00 0.52 O ATOM 1714 CB MET A 101 4.025 -5.445 -6.563 1.00 0.56 C ATOM 1715 CG MET A 101 3.972 -5.303 -8.075 1.00 0.64 C ATOM 1716 SD MET A 101 3.867 -3.587 -8.611 1.00 0.98 S ATOM 1717 CE MET A 101 2.378 -3.077 -7.760 1.00 0.59 C ATOM 0 H MET A 101 6.395 -6.234 -6.909 1.00 0.47 H new ATOM 0 HA MET A 101 5.194 -3.706 -6.061 1.00 0.50 H new ATOM 0 HB2 MET A 101 4.020 -6.504 -6.307 1.00 0.56 H new ATOM 0 HB3 MET A 101 3.122 -5.009 -6.135 1.00 0.56 H new ATOM 0 HG2 MET A 101 4.860 -5.761 -8.510 1.00 0.64 H new ATOM 0 HG3 MET A 101 3.111 -5.852 -8.457 1.00 0.64 H new ATOM 0 HE1 MET A 101 1.991 -2.166 -8.217 1.00 0.59 H new ATOM 0 HE2 MET A 101 1.629 -3.866 -7.832 1.00 0.59 H new ATOM 0 HE3 MET A 101 2.605 -2.888 -6.711 1.00 0.59 H new ATOM 1727 N VAL A 102 5.372 -4.041 -3.644 1.00 0.50 N ATOM 1728 CA VAL A 102 5.416 -4.177 -2.194 1.00 0.53 C ATOM 1729 C VAL A 102 4.278 -3.434 -1.530 1.00 0.49 C ATOM 1730 O VAL A 102 4.025 -2.259 -1.824 1.00 0.50 O ATOM 1731 CB VAL A 102 6.743 -3.680 -1.600 1.00 0.61 C ATOM 1732 CG1 VAL A 102 7.414 -4.799 -0.829 1.00 0.73 C ATOM 1733 CG2 VAL A 102 7.656 -3.134 -2.684 1.00 0.90 C ATOM 0 H VAL A 102 5.432 -3.080 -3.980 1.00 0.50 H new ATOM 0 HA VAL A 102 5.321 -5.244 -1.995 1.00 0.53 H new ATOM 0 HB VAL A 102 6.533 -2.862 -0.911 1.00 0.61 H new ATOM 0 HG11 VAL A 102 8.354 -4.440 -0.411 1.00 0.73 H new ATOM 0 HG12 VAL A 102 6.760 -5.128 -0.022 1.00 0.73 H new ATOM 0 HG13 VAL A 102 7.611 -5.635 -1.500 1.00 0.73 H new ATOM 0 HG21 VAL A 102 8.588 -2.789 -2.235 1.00 0.90 H new ATOM 0 HG22 VAL A 102 7.871 -3.920 -3.408 1.00 0.90 H new ATOM 0 HG23 VAL A 102 7.166 -2.301 -3.187 1.00 0.90 H new ATOM 1743 N ASP A 103 3.598 -4.138 -0.637 1.00 0.48 N ATOM 1744 CA ASP A 103 2.434 -3.609 0.057 1.00 0.47 C ATOM 1745 C ASP A 103 2.806 -2.408 0.912 1.00 0.46 C ATOM 1746 O ASP A 103 3.825 -2.411 1.601 1.00 0.51 O ATOM 1747 CB ASP A 103 1.796 -4.684 0.943 1.00 0.51 C ATOM 1748 CG ASP A 103 1.422 -5.937 0.180 1.00 1.22 C ATOM 1749 OD1 ASP A 103 0.352 -5.962 -0.450 1.00 1.56 O ATOM 1750 OD2 ASP A 103 2.203 -6.912 0.213 1.00 1.96 O ATOM 0 H ASP A 103 3.838 -5.093 -0.373 1.00 0.48 H new ATOM 0 HA ASP A 103 1.716 -3.295 -0.701 1.00 0.47 H new ATOM 0 HB2 ASP A 103 2.489 -4.946 1.742 1.00 0.51 H new ATOM 0 HB3 ASP A 103 0.904 -4.274 1.416 1.00 0.51 H new ATOM 1755 N ASP A 104 1.981 -1.379 0.850 1.00 0.46 N ATOM 1756 CA ASP A 104 2.157 -0.201 1.690 1.00 0.47 C ATOM 1757 C ASP A 104 1.533 -0.438 3.057 1.00 0.46 C ATOM 1758 O ASP A 104 1.762 0.311 4.006 1.00 0.54 O ATOM 1759 CB ASP A 104 1.531 1.029 1.030 1.00 0.54 C ATOM 1760 CG ASP A 104 1.719 2.284 1.858 1.00 0.66 C ATOM 1761 OD1 ASP A 104 2.877 2.742 1.993 1.00 1.08 O ATOM 1762 OD2 ASP A 104 0.713 2.798 2.393 1.00 0.64 O ATOM 0 H ASP A 104 1.177 -1.332 0.224 1.00 0.46 H new ATOM 0 HA ASP A 104 3.225 -0.019 1.814 1.00 0.47 H new ATOM 0 HB2 ASP A 104 1.975 1.176 0.046 1.00 0.54 H new ATOM 0 HB3 ASP A 104 0.466 0.854 0.876 1.00 0.54 H new ATOM 1767 N SER A 105 0.758 -1.504 3.157 1.00 0.43 N ATOM 1768 CA SER A 105 0.102 -1.858 4.401 1.00 0.49 C ATOM 1769 C SER A 105 1.065 -2.551 5.371 1.00 0.57 C ATOM 1770 O SER A 105 0.644 -3.098 6.392 1.00 0.96 O ATOM 1771 CB SER A 105 -1.091 -2.758 4.096 1.00 0.52 C ATOM 1772 OG SER A 105 -0.721 -3.789 3.194 1.00 1.27 O ATOM 0 H SER A 105 0.568 -2.143 2.385 1.00 0.43 H new ATOM 0 HA SER A 105 -0.240 -0.944 4.887 1.00 0.49 H new ATOM 0 HB2 SER A 105 -1.470 -3.195 5.020 1.00 0.52 H new ATOM 0 HB3 SER A 105 -1.900 -2.166 3.668 1.00 0.52 H new ATOM 0 HG SER A 105 -1.015 -4.654 3.548 1.00 1.27 H new ATOM 1778 N LYS A 106 2.356 -2.535 5.052 1.00 0.45 N ATOM 1779 CA LYS A 106 3.359 -3.134 5.920 1.00 0.49 C ATOM 1780 C LYS A 106 4.624 -2.282 5.970 1.00 0.52 C ATOM 1781 O LYS A 106 4.801 -1.369 5.162 1.00 0.65 O ATOM 1782 CB LYS A 106 3.664 -4.567 5.471 1.00 0.58 C ATOM 1783 CG LYS A 106 3.940 -4.719 3.983 1.00 0.69 C ATOM 1784 CD LYS A 106 5.390 -4.453 3.630 1.00 0.58 C ATOM 1785 CE LYS A 106 5.692 -4.925 2.220 1.00 1.00 C ATOM 1786 NZ LYS A 106 5.392 -6.374 2.049 1.00 2.02 N ATOM 0 H LYS A 106 2.729 -2.115 4.201 1.00 0.45 H new ATOM 0 HA LYS A 106 2.958 -3.175 6.933 1.00 0.49 H new ATOM 0 HB2 LYS A 106 4.528 -4.932 6.027 1.00 0.58 H new ATOM 0 HB3 LYS A 106 2.821 -5.205 5.738 1.00 0.58 H new ATOM 0 HG2 LYS A 106 3.672 -5.728 3.669 1.00 0.69 H new ATOM 0 HG3 LYS A 106 3.302 -4.032 3.427 1.00 0.69 H new ATOM 0 HD2 LYS A 106 5.601 -3.387 3.715 1.00 0.58 H new ATOM 0 HD3 LYS A 106 6.042 -4.965 4.338 1.00 0.58 H new ATOM 0 HE2 LYS A 106 5.104 -4.345 1.508 1.00 1.00 H new ATOM 0 HE3 LYS A 106 6.742 -4.741 1.991 1.00 1.00 H new ATOM 0 HZ1 LYS A 106 6.007 -6.771 1.310 1.00 2.02 H new ATOM 0 HZ2 LYS A 106 5.563 -6.872 2.946 1.00 2.02 H new ATOM 0 HZ3 LYS A 106 4.397 -6.492 1.772 1.00 2.02 H new ATOM 1800 N THR A 107 5.496 -2.592 6.919 1.00 0.53 N ATOM 1801 CA THR A 107 6.689 -1.800 7.166 1.00 0.57 C ATOM 1802 C THR A 107 7.842 -2.171 6.227 1.00 0.52 C ATOM 1803 O THR A 107 7.726 -3.081 5.402 1.00 0.54 O ATOM 1804 CB THR A 107 7.127 -1.948 8.629 1.00 0.69 C ATOM 1805 OG1 THR A 107 6.638 -3.192 9.151 1.00 0.76 O ATOM 1806 CG2 THR A 107 6.606 -0.795 9.471 1.00 0.74 C ATOM 0 H THR A 107 5.396 -3.397 7.537 1.00 0.53 H new ATOM 0 HA THR A 107 6.434 -0.760 6.965 1.00 0.57 H new ATOM 0 HB THR A 107 8.216 -1.935 8.669 1.00 0.69 H new ATOM 0 HG1 THR A 107 6.919 -3.288 10.085 1.00 0.76 H new ATOM 0 HG21 THR A 107 6.930 -0.923 10.504 1.00 0.74 H new ATOM 0 HG22 THR A 107 6.997 0.145 9.082 1.00 0.74 H new ATOM 0 HG23 THR A 107 5.517 -0.779 9.432 1.00 0.74 H new ATOM 1814 N VAL A 108 8.963 -1.472 6.379 1.00 0.49 N ATOM 1815 CA VAL A 108 10.057 -1.553 5.419 1.00 0.47 C ATOM 1816 C VAL A 108 10.863 -2.840 5.563 1.00 0.42 C ATOM 1817 O VAL A 108 11.311 -3.400 4.570 1.00 0.44 O ATOM 1818 CB VAL A 108 11.015 -0.359 5.558 1.00 0.55 C ATOM 1819 CG1 VAL A 108 11.903 -0.228 4.330 1.00 0.61 C ATOM 1820 CG2 VAL A 108 10.246 0.929 5.816 1.00 0.60 C ATOM 0 H VAL A 108 9.137 -0.841 7.161 1.00 0.49 H new ATOM 0 HA VAL A 108 9.589 -1.540 4.435 1.00 0.47 H new ATOM 0 HB VAL A 108 11.658 -0.543 6.418 1.00 0.55 H new ATOM 0 HG11 VAL A 108 12.571 0.624 4.454 1.00 0.61 H new ATOM 0 HG12 VAL A 108 12.492 -1.137 4.209 1.00 0.61 H new ATOM 0 HG13 VAL A 108 11.282 -0.077 3.447 1.00 0.61 H new ATOM 0 HG21 VAL A 108 10.947 1.758 5.910 1.00 0.60 H new ATOM 0 HG22 VAL A 108 9.567 1.120 4.985 1.00 0.60 H new ATOM 0 HG23 VAL A 108 9.672 0.832 6.738 1.00 0.60 H new ATOM 1830 N THR A 109 11.109 -3.272 6.792 1.00 0.43 N ATOM 1831 CA THR A 109 11.791 -4.545 7.025 1.00 0.43 C ATOM 1832 C THR A 109 11.126 -5.682 6.244 1.00 0.44 C ATOM 1833 O THR A 109 11.800 -6.424 5.522 1.00 0.45 O ATOM 1834 CB THR A 109 11.834 -4.896 8.524 1.00 0.51 C ATOM 1835 OG1 THR A 109 12.436 -3.816 9.249 1.00 0.56 O ATOM 1836 CG2 THR A 109 12.623 -6.175 8.765 1.00 0.56 C ATOM 0 H THR A 109 10.850 -2.767 7.640 1.00 0.43 H new ATOM 0 HA THR A 109 12.814 -4.428 6.668 1.00 0.43 H new ATOM 0 HB THR A 109 10.813 -5.054 8.871 1.00 0.51 H new ATOM 0 HG1 THR A 109 12.462 -4.037 10.203 1.00 0.56 H new ATOM 0 HG21 THR A 109 12.637 -6.398 9.832 1.00 0.56 H new ATOM 0 HG22 THR A 109 12.153 -6.999 8.228 1.00 0.56 H new ATOM 0 HG23 THR A 109 13.645 -6.045 8.408 1.00 0.56 H new ATOM 1844 N ASP A 110 9.805 -5.795 6.367 1.00 0.47 N ATOM 1845 CA ASP A 110 9.049 -6.795 5.618 1.00 0.51 C ATOM 1846 C ASP A 110 9.210 -6.564 4.119 1.00 0.49 C ATOM 1847 O ASP A 110 9.440 -7.501 3.351 1.00 0.54 O ATOM 1848 CB ASP A 110 7.568 -6.737 5.995 1.00 0.57 C ATOM 1849 CG ASP A 110 6.751 -7.800 5.290 1.00 0.65 C ATOM 1850 OD1 ASP A 110 6.353 -7.577 4.129 1.00 0.70 O ATOM 1851 OD2 ASP A 110 6.504 -8.864 5.889 1.00 0.76 O ATOM 0 H ASP A 110 9.237 -5.207 6.977 1.00 0.47 H new ATOM 0 HA ASP A 110 9.438 -7.781 5.870 1.00 0.51 H new ATOM 0 HB2 ASP A 110 7.465 -6.859 7.073 1.00 0.57 H new ATOM 0 HB3 ASP A 110 7.171 -5.753 5.746 1.00 0.57 H new ATOM 1856 N MET A 111 9.098 -5.299 3.720 1.00 0.46 N ATOM 1857 CA MET A 111 9.318 -4.889 2.336 1.00 0.46 C ATOM 1858 C MET A 111 10.653 -5.406 1.824 1.00 0.40 C ATOM 1859 O MET A 111 10.736 -5.986 0.746 1.00 0.43 O ATOM 1860 CB MET A 111 9.312 -3.364 2.243 1.00 0.51 C ATOM 1861 CG MET A 111 9.678 -2.821 0.869 1.00 0.50 C ATOM 1862 SD MET A 111 10.194 -1.099 0.936 1.00 0.75 S ATOM 1863 CE MET A 111 8.908 -0.438 1.984 1.00 0.67 C ATOM 0 H MET A 111 8.853 -4.532 4.345 1.00 0.46 H new ATOM 0 HA MET A 111 8.517 -5.307 1.727 1.00 0.46 H new ATOM 0 HB2 MET A 111 8.321 -2.999 2.514 1.00 0.51 H new ATOM 0 HB3 MET A 111 10.011 -2.964 2.977 1.00 0.51 H new ATOM 0 HG2 MET A 111 10.481 -3.423 0.444 1.00 0.50 H new ATOM 0 HG3 MET A 111 8.821 -2.916 0.202 1.00 0.50 H new ATOM 0 HE1 MET A 111 8.730 0.606 1.727 1.00 0.67 H new ATOM 0 HE2 MET A 111 7.991 -1.009 1.839 1.00 0.67 H new ATOM 0 HE3 MET A 111 9.217 -0.507 3.027 1.00 0.67 H new ATOM 1873 N LEU A 112 11.689 -5.198 2.621 1.00 0.36 N ATOM 1874 CA LEU A 112 13.040 -5.548 2.227 1.00 0.34 C ATOM 1875 C LEU A 112 13.173 -7.050 2.027 1.00 0.37 C ATOM 1876 O LEU A 112 13.792 -7.493 1.065 1.00 0.42 O ATOM 1877 CB LEU A 112 14.046 -5.067 3.270 1.00 0.35 C ATOM 1878 CG LEU A 112 15.406 -4.682 2.701 1.00 0.38 C ATOM 1879 CD1 LEU A 112 15.259 -3.493 1.768 1.00 0.39 C ATOM 1880 CD2 LEU A 112 16.383 -4.371 3.819 1.00 0.46 C ATOM 0 H LEU A 112 11.616 -4.785 3.551 1.00 0.36 H new ATOM 0 HA LEU A 112 13.253 -5.052 1.280 1.00 0.34 H new ATOM 0 HB2 LEU A 112 13.627 -4.206 3.792 1.00 0.35 H new ATOM 0 HB3 LEU A 112 14.185 -5.853 4.012 1.00 0.35 H new ATOM 0 HG LEU A 112 15.801 -5.524 2.133 1.00 0.38 H new ATOM 0 HD11 LEU A 112 16.235 -3.224 1.365 1.00 0.39 H new ATOM 0 HD12 LEU A 112 14.588 -3.754 0.949 1.00 0.39 H new ATOM 0 HD13 LEU A 112 14.848 -2.647 2.319 1.00 0.39 H new ATOM 0 HD21 LEU A 112 17.349 -4.098 3.393 1.00 0.46 H new ATOM 0 HD22 LEU A 112 16.002 -3.542 4.415 1.00 0.46 H new ATOM 0 HD23 LEU A 112 16.502 -5.249 4.453 1.00 0.46 H new ATOM 1892 N MET A 113 12.570 -7.827 2.927 1.00 0.39 N ATOM 1893 CA MET A 113 12.585 -9.285 2.809 1.00 0.46 C ATOM 1894 C MET A 113 11.813 -9.725 1.579 1.00 0.49 C ATOM 1895 O MET A 113 12.066 -10.787 1.013 1.00 0.56 O ATOM 1896 CB MET A 113 12.039 -9.943 4.087 1.00 0.55 C ATOM 1897 CG MET A 113 11.468 -11.346 3.905 1.00 0.61 C ATOM 1898 SD MET A 113 9.739 -11.351 3.389 1.00 0.98 S ATOM 1899 CE MET A 113 8.966 -10.624 4.831 1.00 1.34 C ATOM 0 H MET A 113 12.068 -7.474 3.741 1.00 0.39 H new ATOM 0 HA MET A 113 13.617 -9.614 2.689 1.00 0.46 H new ATOM 0 HB2 MET A 113 12.841 -9.988 4.824 1.00 0.55 H new ATOM 0 HB3 MET A 113 11.260 -9.303 4.502 1.00 0.55 H new ATOM 0 HG2 MET A 113 12.063 -11.880 3.164 1.00 0.61 H new ATOM 0 HG3 MET A 113 11.562 -11.893 4.843 1.00 0.61 H new ATOM 0 HE1 MET A 113 8.028 -11.139 5.040 1.00 1.34 H new ATOM 0 HE2 MET A 113 9.632 -10.721 5.688 1.00 1.34 H new ATOM 0 HE3 MET A 113 8.766 -9.569 4.644 1.00 1.34 H new ATOM 1909 N THR A 114 10.884 -8.892 1.153 1.00 0.47 N ATOM 1910 CA THR A 114 10.151 -9.153 -0.060 1.00 0.50 C ATOM 1911 C THR A 114 11.039 -8.897 -1.277 1.00 0.46 C ATOM 1912 O THR A 114 11.054 -9.683 -2.218 1.00 0.49 O ATOM 1913 CB THR A 114 8.881 -8.281 -0.138 1.00 0.54 C ATOM 1914 OG1 THR A 114 8.072 -8.484 1.031 1.00 0.62 O ATOM 1915 CG2 THR A 114 8.069 -8.598 -1.385 1.00 0.60 C ATOM 0 H THR A 114 10.622 -8.030 1.632 1.00 0.47 H new ATOM 0 HA THR A 114 9.846 -10.199 -0.054 1.00 0.50 H new ATOM 0 HB THR A 114 9.193 -7.238 -0.189 1.00 0.54 H new ATOM 0 HG1 THR A 114 8.540 -8.133 1.817 1.00 0.62 H new ATOM 0 HG21 THR A 114 7.181 -7.967 -1.411 1.00 0.60 H new ATOM 0 HG22 THR A 114 8.674 -8.409 -2.271 1.00 0.60 H new ATOM 0 HG23 THR A 114 7.769 -9.646 -1.367 1.00 0.60 H new ATOM 1923 N ILE A 115 11.818 -7.819 -1.226 1.00 0.43 N ATOM 1924 CA ILE A 115 12.645 -7.408 -2.354 1.00 0.41 C ATOM 1925 C ILE A 115 13.885 -8.290 -2.493 1.00 0.42 C ATOM 1926 O ILE A 115 14.200 -8.762 -3.587 1.00 0.43 O ATOM 1927 CB ILE A 115 13.094 -5.937 -2.209 1.00 0.40 C ATOM 1928 CG1 ILE A 115 11.877 -5.027 -2.022 1.00 0.42 C ATOM 1929 CG2 ILE A 115 13.903 -5.505 -3.425 1.00 0.42 C ATOM 1930 CD1 ILE A 115 12.234 -3.586 -1.728 1.00 0.44 C ATOM 0 H ILE A 115 11.893 -7.212 -0.410 1.00 0.43 H new ATOM 0 HA ILE A 115 12.030 -7.515 -3.247 1.00 0.41 H new ATOM 0 HB ILE A 115 13.729 -5.852 -1.327 1.00 0.40 H new ATOM 0 HG12 ILE A 115 11.265 -5.064 -2.923 1.00 0.42 H new ATOM 0 HG13 ILE A 115 11.267 -5.414 -1.206 1.00 0.42 H new ATOM 0 HG21 ILE A 115 14.211 -4.466 -3.307 1.00 0.42 H new ATOM 0 HG22 ILE A 115 14.786 -6.137 -3.518 1.00 0.42 H new ATOM 0 HG23 ILE A 115 13.291 -5.602 -4.322 1.00 0.42 H new ATOM 0 HD11 ILE A 115 11.321 -3.002 -1.608 1.00 0.44 H new ATOM 0 HD12 ILE A 115 12.820 -3.536 -0.810 1.00 0.44 H new ATOM 0 HD13 ILE A 115 12.818 -3.180 -2.554 1.00 0.44 H new ATOM 1942 N CYS A 116 14.578 -8.521 -1.381 1.00 0.43 N ATOM 1943 CA CYS A 116 15.808 -9.308 -1.392 1.00 0.47 C ATOM 1944 C CYS A 116 15.541 -10.720 -1.900 1.00 0.50 C ATOM 1945 O CYS A 116 16.370 -11.313 -2.595 1.00 0.53 O ATOM 1946 CB CYS A 116 16.419 -9.373 0.011 1.00 0.51 C ATOM 1947 SG CYS A 116 15.316 -10.072 1.258 1.00 1.56 S ATOM 0 H CYS A 116 14.309 -8.174 -0.460 1.00 0.43 H new ATOM 0 HA CYS A 116 16.513 -8.818 -2.064 1.00 0.47 H new ATOM 0 HB2 CYS A 116 17.331 -9.969 -0.028 1.00 0.51 H new ATOM 0 HB3 CYS A 116 16.708 -8.368 0.318 1.00 0.51 H new ATOM 0 HG CYS A 116 15.861 -11.134 1.773 1.00 1.56 H new ATOM 1953 N ALA A 117 14.369 -11.241 -1.563 1.00 0.50 N ATOM 1954 CA ALA A 117 13.979 -12.582 -1.958 1.00 0.54 C ATOM 1955 C ALA A 117 13.696 -12.663 -3.454 1.00 0.54 C ATOM 1956 O ALA A 117 13.769 -13.740 -4.044 1.00 0.58 O ATOM 1957 CB ALA A 117 12.780 -13.045 -1.152 1.00 0.57 C ATOM 0 H ALA A 117 13.667 -10.747 -1.011 1.00 0.50 H new ATOM 0 HA ALA A 117 14.814 -13.250 -1.748 1.00 0.54 H new ATOM 0 HB1 ALA A 117 12.501 -14.052 -1.461 1.00 0.57 H new ATOM 0 HB2 ALA A 117 13.033 -13.048 -0.092 1.00 0.57 H new ATOM 0 HB3 ALA A 117 11.943 -12.368 -1.323 1.00 0.57 H new ATOM 1963 N ARG A 118 13.353 -11.528 -4.067 1.00 0.50 N ATOM 1964 CA ARG A 118 13.148 -11.490 -5.512 1.00 0.51 C ATOM 1965 C ARG A 118 14.487 -11.689 -6.208 1.00 0.52 C ATOM 1966 O ARG A 118 14.580 -12.388 -7.216 1.00 0.55 O ATOM 1967 CB ARG A 118 12.526 -10.162 -5.980 1.00 0.49 C ATOM 1968 CG ARG A 118 11.359 -9.683 -5.135 1.00 0.49 C ATOM 1969 CD ARG A 118 10.200 -10.667 -5.108 1.00 0.58 C ATOM 1970 NE ARG A 118 9.393 -10.628 -6.327 1.00 0.84 N ATOM 1971 CZ ARG A 118 8.057 -10.669 -6.328 1.00 1.16 C ATOM 1972 NH1 ARG A 118 7.393 -10.851 -5.190 1.00 1.23 N ATOM 1973 NH2 ARG A 118 7.391 -10.553 -7.468 1.00 1.75 N ATOM 0 H ARG A 118 13.214 -10.636 -3.592 1.00 0.50 H new ATOM 0 HA ARG A 118 12.452 -12.288 -5.770 1.00 0.51 H new ATOM 0 HB2 ARG A 118 13.299 -9.393 -5.980 1.00 0.49 H new ATOM 0 HB3 ARG A 118 12.190 -10.276 -7.011 1.00 0.49 H new ATOM 0 HG2 ARG A 118 11.704 -9.508 -4.116 1.00 0.49 H new ATOM 0 HG3 ARG A 118 11.007 -8.726 -5.521 1.00 0.49 H new ATOM 0 HD2 ARG A 118 10.589 -11.675 -4.968 1.00 0.58 H new ATOM 0 HD3 ARG A 118 9.564 -10.449 -4.250 1.00 0.58 H new ATOM 0 HE ARG A 118 9.875 -10.566 -7.224 1.00 0.84 H new ATOM 0 HH11 ARG A 118 7.903 -10.960 -4.314 1.00 1.23 H new ATOM 0 HH12 ARG A 118 6.373 -10.882 -5.194 1.00 1.23 H new ATOM 0 HH21 ARG A 118 7.898 -10.432 -8.345 1.00 1.75 H new ATOM 0 HH22 ARG A 118 6.371 -10.584 -7.468 1.00 1.75 H new ATOM 1987 N ILE A 119 15.529 -11.077 -5.649 1.00 0.52 N ATOM 1988 CA ILE A 119 16.871 -11.165 -6.212 1.00 0.54 C ATOM 1989 C ILE A 119 17.498 -12.509 -5.875 1.00 0.58 C ATOM 1990 O ILE A 119 18.081 -13.174 -6.732 1.00 0.66 O ATOM 1991 CB ILE A 119 17.801 -10.063 -5.653 1.00 0.51 C ATOM 1992 CG1 ILE A 119 17.023 -8.781 -5.343 1.00 0.49 C ATOM 1993 CG2 ILE A 119 18.921 -9.774 -6.642 1.00 0.56 C ATOM 1994 CD1 ILE A 119 16.478 -8.079 -6.565 1.00 0.69 C ATOM 0 H ILE A 119 15.467 -10.512 -4.802 1.00 0.52 H new ATOM 0 HA ILE A 119 16.767 -11.042 -7.290 1.00 0.54 H new ATOM 0 HB ILE A 119 18.232 -10.426 -4.720 1.00 0.51 H new ATOM 0 HG12 ILE A 119 16.195 -9.023 -4.677 1.00 0.49 H new ATOM 0 HG13 ILE A 119 17.675 -8.094 -4.804 1.00 0.49 H new ATOM 0 HG21 ILE A 119 19.570 -8.997 -6.239 1.00 0.56 H new ATOM 0 HG22 ILE A 119 19.502 -10.681 -6.809 1.00 0.56 H new ATOM 0 HG23 ILE A 119 18.494 -9.437 -7.587 1.00 0.56 H new ATOM 0 HD11 ILE A 119 15.941 -7.181 -6.259 1.00 0.69 H new ATOM 0 HD12 ILE A 119 17.302 -7.803 -7.223 1.00 0.69 H new ATOM 0 HD13 ILE A 119 15.798 -8.746 -7.095 1.00 0.69 H new ATOM 2006 N GLY A 120 17.379 -12.894 -4.614 1.00 0.57 N ATOM 2007 CA GLY A 120 17.999 -14.115 -4.147 1.00 0.62 C ATOM 2008 C GLY A 120 18.981 -13.859 -3.020 1.00 0.64 C ATOM 2009 O GLY A 120 19.887 -14.657 -2.784 1.00 0.70 O ATOM 0 H GLY A 120 16.861 -12.379 -3.902 1.00 0.57 H new ATOM 0 HA2 GLY A 120 17.228 -14.806 -3.806 1.00 0.62 H new ATOM 0 HA3 GLY A 120 18.516 -14.599 -4.976 1.00 0.62 H new ATOM 2013 N ILE A 121 18.803 -12.740 -2.328 1.00 0.66 N ATOM 2014 CA ILE A 121 19.655 -12.388 -1.198 1.00 0.71 C ATOM 2015 C ILE A 121 19.113 -13.038 0.074 1.00 0.82 C ATOM 2016 O ILE A 121 17.914 -12.962 0.351 1.00 1.54 O ATOM 2017 CB ILE A 121 19.730 -10.857 -1.003 1.00 0.63 C ATOM 2018 CG1 ILE A 121 20.216 -10.168 -2.285 1.00 0.59 C ATOM 2019 CG2 ILE A 121 20.644 -10.511 0.164 1.00 0.67 C ATOM 2020 CD1 ILE A 121 20.163 -8.653 -2.217 1.00 0.56 C ATOM 0 H ILE A 121 18.073 -12.058 -2.531 1.00 0.66 H new ATOM 0 HA ILE A 121 20.661 -12.754 -1.406 1.00 0.71 H new ATOM 0 HB ILE A 121 18.727 -10.494 -0.778 1.00 0.63 H new ATOM 0 HG12 ILE A 121 21.241 -10.479 -2.489 1.00 0.59 H new ATOM 0 HG13 ILE A 121 19.607 -10.507 -3.123 1.00 0.59 H new ATOM 0 HG21 ILE A 121 20.684 -9.429 0.286 1.00 0.67 H new ATOM 0 HG22 ILE A 121 20.257 -10.965 1.076 1.00 0.67 H new ATOM 0 HG23 ILE A 121 21.646 -10.891 -0.034 1.00 0.67 H new ATOM 0 HD11 ILE A 121 20.521 -8.234 -3.157 1.00 0.56 H new ATOM 0 HD12 ILE A 121 19.136 -8.332 -2.045 1.00 0.56 H new ATOM 0 HD13 ILE A 121 20.794 -8.303 -1.400 1.00 0.56 H new ATOM 2032 N THR A 122 19.988 -13.676 0.836 1.00 0.96 N ATOM 2033 CA THR A 122 19.568 -14.435 2.006 1.00 1.00 C ATOM 2034 C THR A 122 19.307 -13.527 3.209 1.00 0.90 C ATOM 2035 O THR A 122 18.219 -13.542 3.783 1.00 1.04 O ATOM 2036 CB THR A 122 20.632 -15.481 2.390 1.00 1.18 C ATOM 2037 OG1 THR A 122 21.286 -15.965 1.208 1.00 1.55 O ATOM 2038 CG2 THR A 122 20.000 -16.647 3.136 1.00 1.65 C ATOM 0 H THR A 122 20.994 -13.684 0.666 1.00 0.96 H new ATOM 0 HA THR A 122 18.638 -14.936 1.739 1.00 1.00 H new ATOM 0 HB THR A 122 21.362 -15.004 3.044 1.00 1.18 H new ATOM 0 HG1 THR A 122 21.963 -16.629 1.457 1.00 1.55 H new ATOM 0 HG21 THR A 122 20.770 -17.373 3.397 1.00 1.65 H new ATOM 0 HG22 THR A 122 19.523 -16.281 4.045 1.00 1.65 H new ATOM 0 HG23 THR A 122 19.253 -17.123 2.501 1.00 1.65 H new ATOM 2046 N ASN A 123 20.304 -12.739 3.593 1.00 0.91 N ATOM 2047 CA ASN A 123 20.177 -11.867 4.757 1.00 0.87 C ATOM 2048 C ASN A 123 19.762 -10.472 4.315 1.00 0.77 C ATOM 2049 O ASN A 123 20.385 -9.891 3.431 1.00 1.05 O ATOM 2050 CB ASN A 123 21.500 -11.798 5.527 1.00 1.10 C ATOM 2051 CG ASN A 123 21.359 -11.117 6.877 1.00 1.31 C ATOM 2052 OD1 ASN A 123 20.305 -11.176 7.511 1.00 2.13 O ATOM 2053 ND2 ASN A 123 22.414 -10.456 7.320 1.00 1.50 N ATOM 0 H ASN A 123 21.206 -12.685 3.119 1.00 0.91 H new ATOM 0 HA ASN A 123 19.413 -12.278 5.417 1.00 0.87 H new ATOM 0 HB2 ASN A 123 21.884 -12.808 5.673 1.00 1.10 H new ATOM 0 HB3 ASN A 123 22.236 -11.261 4.929 1.00 1.10 H new ATOM 0 HD21 ASN A 123 22.373 -9.971 8.217 1.00 1.50 H new ATOM 0 HD22 ASN A 123 23.270 -10.430 6.765 1.00 1.50 H new ATOM 2060 N HIS A 124 18.712 -9.937 4.920 1.00 0.61 N ATOM 2061 CA HIS A 124 18.188 -8.641 4.502 1.00 0.59 C ATOM 2062 C HIS A 124 18.123 -7.663 5.664 1.00 0.57 C ATOM 2063 O HIS A 124 17.873 -6.478 5.471 1.00 0.66 O ATOM 2064 CB HIS A 124 16.794 -8.788 3.884 1.00 0.63 C ATOM 2065 CG HIS A 124 15.705 -9.093 4.872 1.00 0.58 C ATOM 2066 ND1 HIS A 124 14.796 -8.150 5.302 1.00 0.55 N ATOM 2067 CD2 HIS A 124 15.372 -10.244 5.500 1.00 0.66 C ATOM 2068 CE1 HIS A 124 13.950 -8.711 6.146 1.00 0.57 C ATOM 2069 NE2 HIS A 124 14.281 -9.979 6.287 1.00 0.66 N ATOM 0 H HIS A 124 18.209 -10.372 5.693 1.00 0.61 H new ATOM 0 HA HIS A 124 18.875 -8.247 3.753 1.00 0.59 H new ATOM 0 HB2 HIS A 124 16.544 -7.866 3.359 1.00 0.63 H new ATOM 0 HB3 HIS A 124 16.823 -9.582 3.137 1.00 0.63 H new ATOM 0 HD2 HIS A 124 15.873 -11.196 5.400 1.00 0.66 H new ATOM 0 HE1 HIS A 124 13.126 -8.215 6.638 1.00 0.57 H new ATOM 0 HE2 HIS A 124 13.803 -10.654 6.885 1.00 0.66 H new ATOM 2078 N ASP A 125 18.355 -8.152 6.868 1.00 0.62 N ATOM 2079 CA ASP A 125 18.180 -7.332 8.057 1.00 0.72 C ATOM 2080 C ASP A 125 19.421 -6.480 8.294 1.00 0.64 C ATOM 2081 O ASP A 125 19.493 -5.713 9.253 1.00 0.66 O ATOM 2082 CB ASP A 125 17.899 -8.219 9.267 1.00 0.97 C ATOM 2083 CG ASP A 125 17.156 -7.489 10.369 1.00 1.54 C ATOM 2084 OD1 ASP A 125 16.039 -6.989 10.119 1.00 2.14 O ATOM 2085 OD2 ASP A 125 17.705 -7.376 11.486 1.00 2.11 O ATOM 0 H ASP A 125 18.663 -9.107 7.050 1.00 0.62 H new ATOM 0 HA ASP A 125 17.329 -6.668 7.908 1.00 0.72 H new ATOM 0 HB2 ASP A 125 17.314 -9.083 8.951 1.00 0.97 H new ATOM 0 HB3 ASP A 125 18.842 -8.599 9.660 1.00 0.97 H new ATOM 2090 N GLU A 126 20.391 -6.621 7.400 1.00 0.62 N ATOM 2091 CA GLU A 126 21.635 -5.876 7.488 1.00 0.62 C ATOM 2092 C GLU A 126 21.629 -4.690 6.530 1.00 0.52 C ATOM 2093 O GLU A 126 22.594 -3.925 6.463 1.00 0.61 O ATOM 2094 CB GLU A 126 22.821 -6.791 7.176 1.00 0.76 C ATOM 2095 CG GLU A 126 22.691 -7.515 5.846 1.00 1.19 C ATOM 2096 CD GLU A 126 23.970 -8.206 5.427 1.00 1.84 C ATOM 2097 OE1 GLU A 126 25.009 -7.527 5.322 1.00 2.27 O ATOM 2098 OE2 GLU A 126 23.940 -9.429 5.190 1.00 2.30 O ATOM 0 H GLU A 126 20.336 -7.251 6.600 1.00 0.62 H new ATOM 0 HA GLU A 126 21.732 -5.497 8.505 1.00 0.62 H new ATOM 0 HB2 GLU A 126 23.736 -6.199 7.171 1.00 0.76 H new ATOM 0 HB3 GLU A 126 22.922 -7.527 7.974 1.00 0.76 H new ATOM 0 HG2 GLU A 126 21.891 -8.252 5.916 1.00 1.19 H new ATOM 0 HG3 GLU A 126 22.400 -6.801 5.076 1.00 1.19 H new ATOM 2105 N TYR A 127 20.537 -4.532 5.796 1.00 0.43 N ATOM 2106 CA TYR A 127 20.448 -3.488 4.788 1.00 0.38 C ATOM 2107 C TYR A 127 19.521 -2.369 5.221 1.00 0.39 C ATOM 2108 O TYR A 127 18.463 -2.607 5.808 1.00 0.42 O ATOM 2109 CB TYR A 127 19.946 -4.054 3.464 1.00 0.36 C ATOM 2110 CG TYR A 127 20.862 -5.075 2.849 1.00 0.36 C ATOM 2111 CD1 TYR A 127 22.092 -4.703 2.339 1.00 0.38 C ATOM 2112 CD2 TYR A 127 20.499 -6.410 2.789 1.00 0.40 C ATOM 2113 CE1 TYR A 127 22.938 -5.634 1.780 1.00 0.41 C ATOM 2114 CE2 TYR A 127 21.338 -7.350 2.233 1.00 0.43 C ATOM 2115 CZ TYR A 127 22.545 -6.954 1.701 1.00 0.43 C ATOM 2116 OH TYR A 127 23.400 -7.892 1.169 1.00 0.49 O ATOM 0 H TYR A 127 19.702 -5.112 5.880 1.00 0.43 H new ATOM 0 HA TYR A 127 21.453 -3.086 4.662 1.00 0.38 H new ATOM 0 HB2 TYR A 127 18.967 -4.507 3.622 1.00 0.36 H new ATOM 0 HB3 TYR A 127 19.807 -3.234 2.759 1.00 0.36 H new ATOM 0 HD1 TYR A 127 22.394 -3.667 2.380 1.00 0.38 H new ATOM 0 HD2 TYR A 127 19.543 -6.719 3.185 1.00 0.40 H new ATOM 0 HE1 TYR A 127 23.905 -5.332 1.405 1.00 0.41 H new ATOM 0 HE2 TYR A 127 21.051 -8.391 2.214 1.00 0.43 H new ATOM 0 HH TYR A 127 22.971 -8.773 1.187 1.00 0.49 H new ATOM 2126 N SER A 128 19.913 -1.152 4.912 1.00 0.40 N ATOM 2127 CA SER A 128 19.066 -0.006 5.118 1.00 0.42 C ATOM 2128 C SER A 128 18.429 0.373 3.793 1.00 0.41 C ATOM 2129 O SER A 128 18.970 0.070 2.726 1.00 0.54 O ATOM 2130 CB SER A 128 19.881 1.160 5.678 1.00 0.47 C ATOM 2131 OG SER A 128 21.081 1.343 4.944 1.00 1.13 O ATOM 0 H SER A 128 20.826 -0.933 4.512 1.00 0.40 H new ATOM 0 HA SER A 128 18.286 -0.247 5.840 1.00 0.42 H new ATOM 0 HB2 SER A 128 19.287 2.073 5.643 1.00 0.47 H new ATOM 0 HB3 SER A 128 20.117 0.973 6.726 1.00 0.47 H new ATOM 0 HG SER A 128 21.155 2.280 4.666 1.00 1.13 H new ATOM 2137 N LEU A 129 17.276 1.005 3.844 1.00 0.42 N ATOM 2138 CA LEU A 129 16.626 1.428 2.620 1.00 0.42 C ATOM 2139 C LEU A 129 16.845 2.918 2.475 1.00 0.43 C ATOM 2140 O LEU A 129 16.759 3.644 3.448 1.00 0.48 O ATOM 2141 CB LEU A 129 15.128 1.083 2.658 1.00 0.43 C ATOM 2142 CG LEU A 129 14.443 0.865 1.295 1.00 0.45 C ATOM 2143 CD1 LEU A 129 14.350 2.158 0.501 1.00 1.33 C ATOM 2144 CD2 LEU A 129 15.183 -0.191 0.488 1.00 1.13 C ATOM 0 H LEU A 129 16.776 1.235 4.703 1.00 0.42 H new ATOM 0 HA LEU A 129 17.049 0.908 1.761 1.00 0.42 H new ATOM 0 HB2 LEU A 129 15.000 0.179 3.254 1.00 0.43 H new ATOM 0 HB3 LEU A 129 14.605 1.885 3.179 1.00 0.43 H new ATOM 0 HG LEU A 129 13.429 0.518 1.491 1.00 0.45 H new ATOM 0 HD11 LEU A 129 13.861 1.964 -0.454 1.00 1.33 H new ATOM 0 HD12 LEU A 129 13.770 2.890 1.064 1.00 1.33 H new ATOM 0 HD13 LEU A 129 15.352 2.549 0.323 1.00 1.33 H new ATOM 0 HD21 LEU A 129 14.685 -0.331 -0.471 1.00 1.13 H new ATOM 0 HD22 LEU A 129 16.210 0.133 0.319 1.00 1.13 H new ATOM 0 HD23 LEU A 129 15.185 -1.133 1.037 1.00 1.13 H new ATOM 2156 N VAL A 130 17.155 3.375 1.287 1.00 0.42 N ATOM 2157 CA VAL A 130 17.387 4.788 1.086 1.00 0.46 C ATOM 2158 C VAL A 130 16.612 5.265 -0.137 1.00 0.46 C ATOM 2159 O VAL A 130 16.831 4.809 -1.259 1.00 0.45 O ATOM 2160 CB VAL A 130 18.903 5.099 0.976 1.00 0.48 C ATOM 2161 CG1 VAL A 130 19.516 4.464 -0.244 1.00 0.49 C ATOM 2162 CG2 VAL A 130 19.168 6.584 0.977 1.00 0.60 C ATOM 0 H VAL A 130 17.252 2.798 0.451 1.00 0.42 H new ATOM 0 HA VAL A 130 17.022 5.337 1.954 1.00 0.46 H new ATOM 0 HB VAL A 130 19.374 4.666 1.858 1.00 0.48 H new ATOM 0 HG11 VAL A 130 20.578 4.705 -0.285 1.00 0.49 H new ATOM 0 HG12 VAL A 130 19.391 3.382 -0.193 1.00 0.49 H new ATOM 0 HG13 VAL A 130 19.023 4.844 -1.139 1.00 0.49 H new ATOM 0 HG21 VAL A 130 20.240 6.762 0.899 1.00 0.60 H new ATOM 0 HG22 VAL A 130 18.661 7.045 0.129 1.00 0.60 H new ATOM 0 HG23 VAL A 130 18.795 7.020 1.904 1.00 0.60 H new ATOM 2172 N ARG A 131 15.660 6.146 0.093 1.00 0.48 N ATOM 2173 CA ARG A 131 14.797 6.596 -0.975 1.00 0.50 C ATOM 2174 C ARG A 131 15.213 7.962 -1.471 1.00 0.57 C ATOM 2175 O ARG A 131 14.917 8.983 -0.838 1.00 0.64 O ATOM 2176 CB ARG A 131 13.361 6.698 -0.490 1.00 0.54 C ATOM 2177 CG ARG A 131 12.857 5.481 0.250 1.00 0.51 C ATOM 2178 CD ARG A 131 11.395 5.658 0.589 1.00 0.62 C ATOM 2179 NE ARG A 131 10.563 5.658 -0.616 1.00 0.96 N ATOM 2180 CZ ARG A 131 9.564 4.804 -0.845 1.00 1.65 C ATOM 2181 NH1 ARG A 131 9.264 3.869 0.050 1.00 2.18 N ATOM 2182 NH2 ARG A 131 8.857 4.899 -1.969 1.00 2.01 N ATOM 0 H ARG A 131 15.466 6.561 1.004 1.00 0.48 H new ATOM 0 HA ARG A 131 14.877 5.868 -1.782 1.00 0.50 H new ATOM 0 HB2 ARG A 131 13.273 7.566 0.163 1.00 0.54 H new ATOM 0 HB3 ARG A 131 12.714 6.878 -1.348 1.00 0.54 H new ATOM 0 HG2 ARG A 131 12.993 4.590 -0.362 1.00 0.51 H new ATOM 0 HG3 ARG A 131 13.436 5.333 1.162 1.00 0.51 H new ATOM 0 HD2 ARG A 131 11.075 4.856 1.254 1.00 0.62 H new ATOM 0 HD3 ARG A 131 11.256 6.595 1.129 1.00 0.62 H new ATOM 0 HE ARG A 131 10.761 6.359 -1.330 1.00 0.96 H new ATOM 0 HH11 ARG A 131 9.798 3.802 0.916 1.00 2.18 H new ATOM 0 HH12 ARG A 131 8.499 3.218 -0.129 1.00 2.18 H new ATOM 0 HH21 ARG A 131 9.080 5.623 -2.652 1.00 2.01 H new ATOM 0 HH22 ARG A 131 8.093 4.248 -2.147 1.00 2.01 H new ATOM 2196 N GLU A 132 15.872 7.993 -2.604 1.00 0.58 N ATOM 2197 CA GLU A 132 16.144 9.250 -3.245 1.00 0.66 C ATOM 2198 C GLU A 132 14.896 9.711 -3.971 1.00 0.73 C ATOM 2199 O GLU A 132 14.558 9.212 -5.049 1.00 0.74 O ATOM 2200 CB GLU A 132 17.337 9.139 -4.191 1.00 0.68 C ATOM 2201 CG GLU A 132 18.646 8.864 -3.471 1.00 0.64 C ATOM 2202 CD GLU A 132 19.846 9.352 -4.251 1.00 0.72 C ATOM 2203 OE1 GLU A 132 19.886 10.544 -4.618 1.00 1.05 O ATOM 2204 OE2 GLU A 132 20.765 8.540 -4.493 1.00 0.90 O ATOM 0 H GLU A 132 16.225 7.171 -3.094 1.00 0.58 H new ATOM 0 HA GLU A 132 16.411 9.992 -2.492 1.00 0.66 H new ATOM 0 HB2 GLU A 132 17.150 8.341 -4.910 1.00 0.68 H new ATOM 0 HB3 GLU A 132 17.430 10.064 -4.759 1.00 0.68 H new ATOM 0 HG2 GLU A 132 18.629 9.348 -2.495 1.00 0.64 H new ATOM 0 HG3 GLU A 132 18.742 7.793 -3.294 1.00 0.64 H new ATOM 2211 N LEU A 133 14.186 10.641 -3.351 1.00 0.80 N ATOM 2212 CA LEU A 133 12.869 11.014 -3.832 1.00 0.87 C ATOM 2213 C LEU A 133 12.923 12.211 -4.766 1.00 0.97 C ATOM 2214 O LEU A 133 13.991 12.691 -5.147 1.00 1.02 O ATOM 2215 CB LEU A 133 11.928 11.338 -2.665 1.00 0.92 C ATOM 2216 CG LEU A 133 11.786 10.249 -1.600 1.00 0.87 C ATOM 2217 CD1 LEU A 133 10.811 10.691 -0.517 1.00 0.97 C ATOM 2218 CD2 LEU A 133 11.325 8.944 -2.227 1.00 0.80 C ATOM 0 H LEU A 133 14.498 11.146 -2.521 1.00 0.80 H new ATOM 0 HA LEU A 133 12.487 10.155 -4.385 1.00 0.87 H new ATOM 0 HB2 LEU A 133 12.281 12.249 -2.181 1.00 0.92 H new ATOM 0 HB3 LEU A 133 10.939 11.555 -3.070 1.00 0.92 H new ATOM 0 HG LEU A 133 12.762 10.085 -1.144 1.00 0.87 H new ATOM 0 HD11 LEU A 133 10.720 9.906 0.234 1.00 0.97 H new ATOM 0 HD12 LEU A 133 11.179 11.602 -0.046 1.00 0.97 H new ATOM 0 HD13 LEU A 133 9.835 10.882 -0.962 1.00 0.97 H new ATOM 0 HD21 LEU A 133 11.230 8.182 -1.453 1.00 0.80 H new ATOM 0 HD22 LEU A 133 10.359 9.093 -2.710 1.00 0.80 H new ATOM 0 HD23 LEU A 133 12.055 8.619 -2.969 1.00 0.80 H new ATOM 2230 N MET A 134 11.739 12.682 -5.100 1.00 1.04 N ATOM 2231 CA MET A 134 11.545 13.856 -5.939 1.00 1.15 C ATOM 2232 C MET A 134 11.063 15.001 -5.070 1.00 1.22 C ATOM 2233 O MET A 134 10.660 16.055 -5.564 1.00 1.29 O ATOM 2234 CB MET A 134 10.502 13.542 -7.013 1.00 1.27 C ATOM 2235 CG MET A 134 9.255 12.859 -6.458 1.00 1.36 C ATOM 2236 SD MET A 134 8.206 13.947 -5.472 1.00 1.80 S ATOM 2237 CE MET A 134 7.087 12.764 -4.724 1.00 2.03 C ATOM 0 H MET A 134 10.866 12.254 -4.792 1.00 1.04 H new ATOM 0 HA MET A 134 12.482 14.133 -6.423 1.00 1.15 H new ATOM 0 HB2 MET A 134 10.211 14.468 -7.509 1.00 1.27 H new ATOM 0 HB3 MET A 134 10.952 12.902 -7.771 1.00 1.27 H new ATOM 0 HG2 MET A 134 8.671 12.460 -7.287 1.00 1.36 H new ATOM 0 HG3 MET A 134 9.559 12.010 -5.846 1.00 1.36 H new ATOM 0 HE1 MET A 134 6.612 13.213 -3.852 1.00 2.03 H new ATOM 0 HE2 MET A 134 6.322 12.479 -5.447 1.00 2.03 H new ATOM 0 HE3 MET A 134 7.645 11.879 -4.418 1.00 2.03 H new ATOM 2247 N GLU A 135 11.129 14.748 -3.769 1.00 1.27 N ATOM 2248 CA GLU A 135 10.523 15.584 -2.747 1.00 1.39 C ATOM 2249 C GLU A 135 10.743 17.070 -2.971 1.00 1.41 C ATOM 2250 O GLU A 135 11.870 17.540 -3.111 1.00 1.45 O ATOM 2251 CB GLU A 135 11.065 15.182 -1.386 1.00 1.48 C ATOM 2252 CG GLU A 135 10.002 14.641 -0.461 1.00 1.58 C ATOM 2253 CD GLU A 135 9.062 15.730 -0.007 1.00 1.83 C ATOM 2254 OE1 GLU A 135 8.148 16.070 -0.779 1.00 2.29 O ATOM 2255 OE2 GLU A 135 9.212 16.216 1.129 1.00 2.04 O ATOM 0 H GLU A 135 11.617 13.937 -3.389 1.00 1.27 H new ATOM 0 HA GLU A 135 9.446 15.422 -2.800 1.00 1.39 H new ATOM 0 HB2 GLU A 135 11.841 14.428 -1.519 1.00 1.48 H new ATOM 0 HB3 GLU A 135 11.538 16.047 -0.920 1.00 1.48 H new ATOM 0 HG2 GLU A 135 9.438 13.860 -0.970 1.00 1.58 H new ATOM 0 HG3 GLU A 135 10.473 14.180 0.407 1.00 1.58 H new ATOM 2262 N GLU A 136 9.639 17.793 -3.001 1.00 1.46 N ATOM 2263 CA GLU A 136 9.649 19.230 -3.154 1.00 1.52 C ATOM 2264 C GLU A 136 9.851 19.919 -1.807 1.00 1.52 C ATOM 2265 O GLU A 136 10.160 21.108 -1.743 1.00 1.59 O ATOM 2266 CB GLU A 136 8.327 19.656 -3.781 1.00 1.67 C ATOM 2267 CG GLU A 136 7.113 19.291 -2.943 1.00 1.73 C ATOM 2268 CD GLU A 136 5.813 19.580 -3.655 1.00 1.93 C ATOM 2269 OE1 GLU A 136 5.361 20.742 -3.626 1.00 2.12 O ATOM 2270 OE2 GLU A 136 5.240 18.651 -4.258 1.00 1.99 O ATOM 0 H GLU A 136 8.704 17.393 -2.919 1.00 1.46 H new ATOM 0 HA GLU A 136 10.478 19.524 -3.798 1.00 1.52 H new ATOM 0 HB2 GLU A 136 8.339 20.735 -3.938 1.00 1.67 H new ATOM 0 HB3 GLU A 136 8.234 19.192 -4.763 1.00 1.67 H new ATOM 0 HG2 GLU A 136 7.156 18.232 -2.688 1.00 1.73 H new ATOM 0 HG3 GLU A 136 7.142 19.846 -2.006 1.00 1.73 H new ATOM 2277 N LYS A 137 9.672 19.163 -0.732 1.00 1.53 N ATOM 2278 CA LYS A 137 9.788 19.710 0.612 1.00 1.61 C ATOM 2279 C LYS A 137 11.123 19.318 1.241 1.00 1.55 C ATOM 2280 O LYS A 137 11.990 20.165 1.465 1.00 1.63 O ATOM 2281 CB LYS A 137 8.622 19.218 1.475 1.00 1.72 C ATOM 2282 CG LYS A 137 7.263 19.455 0.835 1.00 1.83 C ATOM 2283 CD LYS A 137 6.147 18.743 1.584 1.00 2.14 C ATOM 2284 CE LYS A 137 4.827 18.870 0.841 1.00 2.31 C ATOM 2285 NZ LYS A 137 3.720 18.145 1.520 1.00 2.98 N ATOM 0 H LYS A 137 9.446 18.169 -0.765 1.00 1.53 H new ATOM 0 HA LYS A 137 9.750 20.798 0.553 1.00 1.61 H new ATOM 0 HB2 LYS A 137 8.745 18.152 1.668 1.00 1.72 H new ATOM 0 HB3 LYS A 137 8.655 19.722 2.441 1.00 1.72 H new ATOM 0 HG2 LYS A 137 7.057 20.525 0.809 1.00 1.83 H new ATOM 0 HG3 LYS A 137 7.284 19.109 -0.198 1.00 1.83 H new ATOM 0 HD2 LYS A 137 6.400 17.690 1.706 1.00 2.14 H new ATOM 0 HD3 LYS A 137 6.048 19.165 2.584 1.00 2.14 H new ATOM 0 HE2 LYS A 137 4.565 19.924 0.750 1.00 2.31 H new ATOM 0 HE3 LYS A 137 4.944 18.482 -0.171 1.00 2.31 H new ATOM 0 HZ1 LYS A 137 2.842 18.262 0.975 1.00 2.98 H new ATOM 0 HZ2 LYS A 137 3.955 17.134 1.584 1.00 2.98 H new ATOM 0 HZ3 LYS A 137 3.587 18.531 2.477 1.00 2.98 H new ATOM 2299 N LYS A 138 11.285 18.029 1.509 1.00 1.47 N ATOM 2300 CA LYS A 138 12.503 17.513 2.132 1.00 1.45 C ATOM 2301 C LYS A 138 13.643 17.464 1.137 1.00 1.34 C ATOM 2302 O LYS A 138 14.589 18.249 1.209 1.00 1.43 O ATOM 2303 CB LYS A 138 12.257 16.104 2.677 1.00 1.48 C ATOM 2304 CG LYS A 138 11.206 16.068 3.760 1.00 1.52 C ATOM 2305 CD LYS A 138 10.974 14.661 4.283 1.00 1.58 C ATOM 2306 CE LYS A 138 10.149 13.830 3.316 1.00 1.42 C ATOM 2307 NZ LYS A 138 8.829 14.455 3.028 1.00 1.76 N ATOM 0 H LYS A 138 10.585 17.316 1.304 1.00 1.47 H new ATOM 0 HA LYS A 138 12.773 18.185 2.947 1.00 1.45 H new ATOM 0 HB2 LYS A 138 11.951 15.452 1.859 1.00 1.48 H new ATOM 0 HB3 LYS A 138 13.191 15.704 3.071 1.00 1.48 H new ATOM 0 HG2 LYS A 138 11.511 16.715 4.583 1.00 1.52 H new ATOM 0 HG3 LYS A 138 10.270 16.469 3.370 1.00 1.52 H new ATOM 0 HD2 LYS A 138 11.934 14.174 4.454 1.00 1.58 H new ATOM 0 HD3 LYS A 138 10.465 14.710 5.246 1.00 1.58 H new ATOM 0 HE2 LYS A 138 10.701 13.704 2.385 1.00 1.42 H new ATOM 0 HE3 LYS A 138 9.995 12.835 3.733 1.00 1.42 H new ATOM 0 HZ1 LYS A 138 8.157 13.722 2.723 1.00 1.76 H new ATOM 0 HZ2 LYS A 138 8.469 14.918 3.887 1.00 1.76 H new ATOM 0 HZ3 LYS A 138 8.937 15.162 2.273 1.00 1.76 H new ATOM 2321 N ASP A 169 13.526 16.525 0.218 1.00 1.23 N ATOM 2322 CA ASP A 169 14.527 16.270 -0.799 1.00 1.18 C ATOM 2323 C ASP A 169 15.835 15.830 -0.180 1.00 1.11 C ATOM 2324 O ASP A 169 16.746 16.625 0.051 1.00 1.30 O ATOM 2325 CB ASP A 169 14.726 17.476 -1.717 1.00 1.35 C ATOM 2326 CG ASP A 169 15.808 17.239 -2.753 1.00 1.44 C ATOM 2327 OD1 ASP A 169 15.837 16.139 -3.349 1.00 1.48 O ATOM 2328 OD2 ASP A 169 16.639 18.149 -2.971 1.00 1.59 O ATOM 0 H ASP A 169 12.717 15.907 0.156 1.00 1.23 H new ATOM 0 HA ASP A 169 14.158 15.452 -1.418 1.00 1.18 H new ATOM 0 HB2 ASP A 169 13.787 17.705 -2.221 1.00 1.35 H new ATOM 0 HB3 ASP A 169 14.986 18.348 -1.117 1.00 1.35 H new ATOM 2333 N GLU A 170 15.885 14.555 0.138 1.00 0.96 N ATOM 2334 CA GLU A 170 17.079 13.938 0.638 1.00 0.90 C ATOM 2335 C GLU A 170 17.129 12.481 0.200 1.00 0.78 C ATOM 2336 O GLU A 170 16.353 12.045 -0.669 1.00 0.77 O ATOM 2337 CB GLU A 170 17.122 14.049 2.157 1.00 0.98 C ATOM 2338 CG GLU A 170 16.068 13.229 2.879 1.00 1.24 C ATOM 2339 CD GLU A 170 16.453 12.950 4.313 1.00 1.90 C ATOM 2340 OE1 GLU A 170 16.090 13.759 5.189 1.00 2.57 O ATOM 2341 OE2 GLU A 170 17.093 11.912 4.576 1.00 2.27 O ATOM 0 H GLU A 170 15.091 13.920 0.054 1.00 0.96 H new ATOM 0 HA GLU A 170 17.950 14.451 0.231 1.00 0.90 H new ATOM 0 HB2 GLU A 170 18.107 13.737 2.504 1.00 0.98 H new ATOM 0 HB3 GLU A 170 17.003 15.096 2.436 1.00 0.98 H new ATOM 0 HG2 GLU A 170 15.116 13.760 2.856 1.00 1.24 H new ATOM 0 HG3 GLU A 170 15.919 12.286 2.353 1.00 1.24 H new ATOM 2348 N LEU A 171 18.044 11.739 0.799 1.00 0.73 N ATOM 2349 CA LEU A 171 18.219 10.336 0.481 1.00 0.67 C ATOM 2350 C LEU A 171 17.177 9.491 1.177 1.00 0.62 C ATOM 2351 O LEU A 171 16.925 8.379 0.765 1.00 0.57 O ATOM 2352 CB LEU A 171 19.608 9.867 0.896 1.00 0.71 C ATOM 2353 CG LEU A 171 20.741 10.771 0.446 1.00 0.77 C ATOM 2354 CD1 LEU A 171 22.089 10.127 0.726 1.00 0.86 C ATOM 2355 CD2 LEU A 171 20.589 11.104 -1.028 1.00 0.74 C ATOM 0 H LEU A 171 18.681 12.090 1.514 1.00 0.73 H new ATOM 0 HA LEU A 171 18.104 10.221 -0.597 1.00 0.67 H new ATOM 0 HB2 LEU A 171 19.639 9.781 1.982 1.00 0.71 H new ATOM 0 HB3 LEU A 171 19.775 8.868 0.493 1.00 0.71 H new ATOM 0 HG LEU A 171 20.694 11.700 1.015 1.00 0.77 H new ATOM 0 HD11 LEU A 171 22.886 10.793 0.395 1.00 0.86 H new ATOM 0 HD12 LEU A 171 22.190 9.944 1.796 1.00 0.86 H new ATOM 0 HD13 LEU A 171 22.159 9.182 0.188 1.00 0.86 H new ATOM 0 HD21 LEU A 171 21.407 11.753 -1.341 1.00 0.74 H new ATOM 0 HD22 LEU A 171 20.611 10.185 -1.613 1.00 0.74 H new ATOM 0 HD23 LEU A 171 19.639 11.614 -1.190 1.00 0.74 H new ATOM 2367 N ASN A 172 16.590 10.026 2.238 1.00 0.65 N ATOM 2368 CA ASN A 172 15.583 9.312 3.019 1.00 0.63 C ATOM 2369 C ASN A 172 16.058 7.914 3.383 1.00 0.57 C ATOM 2370 O ASN A 172 15.682 6.931 2.738 1.00 0.53 O ATOM 2371 CB ASN A 172 14.246 9.217 2.274 1.00 0.65 C ATOM 2372 CG ASN A 172 13.617 10.565 2.009 1.00 0.75 C ATOM 2373 OD1 ASN A 172 12.992 11.166 2.882 1.00 0.90 O ATOM 2374 ND2 ASN A 172 13.729 11.020 0.780 1.00 0.80 N ATOM 0 H ASN A 172 16.795 10.964 2.583 1.00 0.65 H new ATOM 0 HA ASN A 172 15.431 9.888 3.932 1.00 0.63 H new ATOM 0 HB2 ASN A 172 14.401 8.703 1.326 1.00 0.65 H new ATOM 0 HB3 ASN A 172 13.555 8.609 2.857 1.00 0.65 H new ATOM 0 HD21 ASN A 172 13.288 11.903 0.521 1.00 0.80 H new ATOM 0 HD22 ASN A 172 14.257 10.490 0.086 1.00 0.80 H new ATOM 2381 N TRP A 173 16.870 7.815 4.419 1.00 0.58 N ATOM 2382 CA TRP A 173 17.363 6.528 4.865 1.00 0.55 C ATOM 2383 C TRP A 173 16.330 5.901 5.787 1.00 0.54 C ATOM 2384 O TRP A 173 16.203 6.290 6.952 1.00 0.61 O ATOM 2385 CB TRP A 173 18.687 6.682 5.616 1.00 0.60 C ATOM 2386 CG TRP A 173 19.834 7.124 4.765 1.00 0.63 C ATOM 2387 CD1 TRP A 173 20.139 8.402 4.396 1.00 0.72 C ATOM 2388 CD2 TRP A 173 20.840 6.288 4.190 1.00 0.64 C ATOM 2389 NE1 TRP A 173 21.275 8.411 3.632 1.00 0.78 N ATOM 2390 CE2 TRP A 173 21.724 7.125 3.485 1.00 0.73 C ATOM 2391 CE3 TRP A 173 21.080 4.912 4.203 1.00 0.65 C ATOM 2392 CZ2 TRP A 173 22.831 6.631 2.800 1.00 0.80 C ATOM 2393 CZ3 TRP A 173 22.177 4.421 3.522 1.00 0.73 C ATOM 2394 CH2 TRP A 173 23.041 5.279 2.828 1.00 0.79 C ATOM 0 H TRP A 173 17.201 8.610 4.966 1.00 0.58 H new ATOM 0 HA TRP A 173 17.533 5.893 3.996 1.00 0.55 H new ATOM 0 HB2 TRP A 173 18.551 7.402 6.423 1.00 0.60 H new ATOM 0 HB3 TRP A 173 18.941 5.728 6.079 1.00 0.60 H new ATOM 0 HD1 TRP A 173 19.568 9.278 4.667 1.00 0.72 H new ATOM 0 HE1 TRP A 173 21.716 9.241 3.236 1.00 0.78 H new ATOM 0 HE3 TRP A 173 20.420 4.244 4.736 1.00 0.65 H new ATOM 0 HZ2 TRP A 173 23.499 7.290 2.266 1.00 0.80 H new ATOM 0 HZ3 TRP A 173 22.372 3.359 3.524 1.00 0.73 H new ATOM 0 HH2 TRP A 173 23.890 4.865 2.305 1.00 0.79 H new ATOM 2405 N LEU A 174 15.578 4.953 5.265 1.00 0.49 N ATOM 2406 CA LEU A 174 14.528 4.315 6.026 1.00 0.49 C ATOM 2407 C LEU A 174 15.105 3.476 7.152 1.00 0.53 C ATOM 2408 O LEU A 174 15.952 2.596 6.922 1.00 0.56 O ATOM 2409 CB LEU A 174 13.650 3.426 5.146 1.00 0.48 C ATOM 2410 CG LEU A 174 12.935 4.105 3.979 1.00 0.50 C ATOM 2411 CD1 LEU A 174 11.769 3.235 3.546 1.00 0.52 C ATOM 2412 CD2 LEU A 174 12.463 5.506 4.349 1.00 0.54 C ATOM 0 H LEU A 174 15.677 4.607 4.311 1.00 0.49 H new ATOM 0 HA LEU A 174 13.914 5.114 6.442 1.00 0.49 H new ATOM 0 HB2 LEU A 174 14.271 2.625 4.745 1.00 0.48 H new ATOM 0 HB3 LEU A 174 12.897 2.958 5.780 1.00 0.48 H new ATOM 0 HG LEU A 174 13.635 4.218 3.151 1.00 0.50 H new ATOM 0 HD11 LEU A 174 11.251 3.710 2.713 1.00 0.52 H new ATOM 0 HD12 LEU A 174 12.140 2.259 3.234 1.00 0.52 H new ATOM 0 HD13 LEU A 174 11.078 3.111 4.380 1.00 0.52 H new ATOM 0 HD21 LEU A 174 11.959 5.958 3.494 1.00 0.54 H new ATOM 0 HD22 LEU A 174 11.771 5.447 5.189 1.00 0.54 H new ATOM 0 HD23 LEU A 174 13.321 6.117 4.629 1.00 0.54 H new ATOM 2424 N ASP A 175 14.618 3.751 8.357 1.00 0.61 N ATOM 2425 CA ASP A 175 15.013 3.028 9.562 1.00 0.72 C ATOM 2426 C ASP A 175 14.322 1.675 9.616 1.00 0.68 C ATOM 2427 O ASP A 175 14.601 0.857 10.493 1.00 0.75 O ATOM 2428 CB ASP A 175 14.653 3.846 10.811 1.00 0.93 C ATOM 2429 CG ASP A 175 13.153 3.910 11.076 1.00 1.83 C ATOM 2430 OD1 ASP A 175 12.375 3.902 10.100 1.00 2.56 O ATOM 2431 OD2 ASP A 175 12.742 3.954 12.257 1.00 2.37 O ATOM 0 H ASP A 175 13.933 4.487 8.527 1.00 0.61 H new ATOM 0 HA ASP A 175 16.092 2.873 9.536 1.00 0.72 H new ATOM 0 HB2 ASP A 175 15.150 3.411 11.678 1.00 0.93 H new ATOM 0 HB3 ASP A 175 15.039 4.859 10.697 1.00 0.93 H new ATOM 2436 N HIS A 176 13.403 1.468 8.671 1.00 0.66 N ATOM 2437 CA HIS A 176 12.630 0.232 8.556 1.00 0.71 C ATOM 2438 C HIS A 176 11.629 0.111 9.688 1.00 0.83 C ATOM 2439 O HIS A 176 11.035 -0.948 9.891 1.00 1.10 O ATOM 2440 CB HIS A 176 13.530 -1.011 8.539 1.00 0.71 C ATOM 2441 CG HIS A 176 14.425 -1.113 7.347 1.00 0.69 C ATOM 2442 ND1 HIS A 176 14.054 -1.731 6.176 1.00 0.77 N ATOM 2443 CD2 HIS A 176 15.688 -0.685 7.155 1.00 0.67 C ATOM 2444 CE1 HIS A 176 15.052 -1.672 5.318 1.00 0.76 C ATOM 2445 NE2 HIS A 176 16.062 -1.047 5.886 1.00 0.69 N ATOM 0 H HIS A 176 13.173 2.160 7.958 1.00 0.66 H new ATOM 0 HA HIS A 176 12.099 0.284 7.605 1.00 0.71 H new ATOM 0 HB2 HIS A 176 14.144 -1.011 9.439 1.00 0.71 H new ATOM 0 HB3 HIS A 176 12.901 -1.900 8.582 1.00 0.71 H new ATOM 0 HD1 HIS A 176 13.149 -2.167 5.999 1.00 0.77 H new ATOM 0 HD2 HIS A 176 16.296 -0.153 7.871 1.00 0.67 H new ATOM 0 HE1 HIS A 176 15.043 -2.071 4.314 1.00 0.76 H new ATOM 2454 N GLY A 177 11.407 1.206 10.382 1.00 0.82 N ATOM 2455 CA GLY A 177 10.607 1.154 11.583 1.00 0.96 C ATOM 2456 C GLY A 177 9.298 1.888 11.452 1.00 1.00 C ATOM 2457 O GLY A 177 8.342 1.596 12.172 1.00 1.34 O ATOM 0 H GLY A 177 11.764 2.130 10.139 1.00 0.82 H new ATOM 0 HA2 GLY A 177 10.409 0.112 11.836 1.00 0.96 H new ATOM 0 HA3 GLY A 177 11.175 1.581 12.410 1.00 0.96 H new ATOM 2461 N ARG A 178 9.242 2.845 10.544 1.00 0.90 N ATOM 2462 CA ARG A 178 8.035 3.634 10.380 1.00 0.99 C ATOM 2463 C ARG A 178 7.348 3.335 9.058 1.00 0.87 C ATOM 2464 O ARG A 178 7.865 2.586 8.224 1.00 0.86 O ATOM 2465 CB ARG A 178 8.350 5.124 10.474 1.00 1.22 C ATOM 2466 CG ARG A 178 9.141 5.668 9.300 1.00 1.27 C ATOM 2467 CD ARG A 178 9.462 7.133 9.507 1.00 1.18 C ATOM 2468 NE ARG A 178 10.318 7.329 10.672 1.00 1.23 N ATOM 2469 CZ ARG A 178 10.314 8.424 11.432 1.00 1.74 C ATOM 2470 NH1 ARG A 178 9.416 9.379 11.225 1.00 2.16 N ATOM 2471 NH2 ARG A 178 11.181 8.545 12.430 1.00 2.18 N ATOM 0 H ARG A 178 10.007 3.093 9.916 1.00 0.90 H new ATOM 0 HA ARG A 178 7.355 3.360 11.187 1.00 0.99 H new ATOM 0 HB2 ARG A 178 7.414 5.677 10.555 1.00 1.22 H new ATOM 0 HB3 ARG A 178 8.909 5.308 11.391 1.00 1.22 H new ATOM 0 HG2 ARG A 178 10.064 5.101 9.183 1.00 1.27 H new ATOM 0 HG3 ARG A 178 8.570 5.542 8.380 1.00 1.27 H new ATOM 0 HD2 ARG A 178 9.956 7.528 8.619 1.00 1.18 H new ATOM 0 HD3 ARG A 178 8.537 7.696 9.634 1.00 1.18 H new ATOM 0 HE ARG A 178 10.962 6.578 10.921 1.00 1.23 H new ATOM 0 HH11 ARG A 178 8.725 9.277 10.482 1.00 2.16 H new ATOM 0 HH12 ARG A 178 9.417 10.215 11.809 1.00 2.16 H new ATOM 0 HH21 ARG A 178 11.852 7.799 12.616 1.00 2.18 H new ATOM 0 HH22 ARG A 178 11.177 9.384 13.011 1.00 2.18 H new ATOM 2485 N THR A 179 6.178 3.927 8.890 1.00 0.91 N ATOM 2486 CA THR A 179 5.401 3.782 7.675 1.00 0.89 C ATOM 2487 C THR A 179 5.970 4.647 6.559 1.00 0.86 C ATOM 2488 O THR A 179 6.692 5.618 6.804 1.00 0.91 O ATOM 2489 CB THR A 179 3.922 4.162 7.914 1.00 1.05 C ATOM 2490 OG1 THR A 179 3.184 4.159 6.682 1.00 1.20 O ATOM 2491 CG2 THR A 179 3.815 5.535 8.568 1.00 1.11 C ATOM 0 H THR A 179 5.741 4.522 9.594 1.00 0.91 H new ATOM 0 HA THR A 179 5.455 2.735 7.377 1.00 0.89 H new ATOM 0 HB THR A 179 3.495 3.414 8.582 1.00 1.05 H new ATOM 0 HG1 THR A 179 2.251 4.401 6.859 1.00 1.20 H new ATOM 0 HG21 THR A 179 2.765 5.782 8.727 1.00 1.11 H new ATOM 0 HG22 THR A 179 4.334 5.523 9.527 1.00 1.11 H new ATOM 0 HG23 THR A 179 4.269 6.284 7.919 1.00 1.11 H new ATOM 2499 N LEU A 180 5.629 4.284 5.339 1.00 0.84 N ATOM 2500 CA LEU A 180 6.038 5.027 4.165 1.00 0.84 C ATOM 2501 C LEU A 180 5.057 6.164 3.927 1.00 0.93 C ATOM 2502 O LEU A 180 5.365 7.160 3.269 1.00 0.97 O ATOM 2503 CB LEU A 180 6.046 4.084 2.971 1.00 0.85 C ATOM 2504 CG LEU A 180 6.636 2.708 3.268 1.00 0.83 C ATOM 2505 CD1 LEU A 180 6.255 1.721 2.185 1.00 1.08 C ATOM 2506 CD2 LEU A 180 8.145 2.798 3.416 1.00 0.90 C ATOM 0 H LEU A 180 5.059 3.463 5.134 1.00 0.84 H new ATOM 0 HA LEU A 180 7.035 5.443 4.306 1.00 0.84 H new ATOM 0 HB2 LEU A 180 5.024 3.960 2.613 1.00 0.85 H new ATOM 0 HB3 LEU A 180 6.614 4.544 2.162 1.00 0.85 H new ATOM 0 HG LEU A 180 6.224 2.349 4.211 1.00 0.83 H new ATOM 0 HD11 LEU A 180 6.685 0.746 2.414 1.00 1.08 H new ATOM 0 HD12 LEU A 180 5.169 1.637 2.135 1.00 1.08 H new ATOM 0 HD13 LEU A 180 6.636 2.069 1.225 1.00 1.08 H new ATOM 0 HD21 LEU A 180 8.550 1.808 3.628 1.00 0.90 H new ATOM 0 HD22 LEU A 180 8.579 3.177 2.491 1.00 0.90 H new ATOM 0 HD23 LEU A 180 8.391 3.473 4.236 1.00 0.90 H new ATOM 2518 N ARG A 181 3.889 6.017 4.529 1.00 1.02 N ATOM 2519 CA ARG A 181 2.773 6.921 4.318 1.00 1.13 C ATOM 2520 C ARG A 181 2.901 8.159 5.189 1.00 1.18 C ATOM 2521 O ARG A 181 1.933 8.876 5.407 1.00 1.36 O ATOM 2522 CB ARG A 181 1.486 6.199 4.662 1.00 1.22 C ATOM 2523 CG ARG A 181 0.299 6.587 3.803 1.00 1.15 C ATOM 2524 CD ARG A 181 -0.914 5.774 4.194 1.00 0.69 C ATOM 2525 NE ARG A 181 -0.604 4.343 4.213 1.00 1.10 N ATOM 2526 CZ ARG A 181 -0.572 3.593 5.316 1.00 2.02 C ATOM 2527 NH1 ARG A 181 -0.951 4.094 6.485 1.00 2.54 N ATOM 2528 NH2 ARG A 181 -0.157 2.336 5.243 1.00 2.64 N ATOM 0 H ARG A 181 3.688 5.261 5.183 1.00 1.02 H new ATOM 0 HA ARG A 181 2.769 7.235 3.274 1.00 1.13 H new ATOM 0 HB2 ARG A 181 1.650 5.125 4.569 1.00 1.22 H new ATOM 0 HB3 ARG A 181 1.242 6.395 5.706 1.00 1.22 H new ATOM 0 HG2 ARG A 181 0.087 7.650 3.921 1.00 1.15 H new ATOM 0 HG3 ARG A 181 0.533 6.423 2.751 1.00 1.15 H new ATOM 0 HD2 ARG A 181 -1.264 6.087 5.178 1.00 0.69 H new ATOM 0 HD3 ARG A 181 -1.725 5.964 3.492 1.00 0.69 H new ATOM 0 HE ARG A 181 -0.399 3.889 3.323 1.00 1.10 H new ATOM 0 HH11 ARG A 181 -1.271 5.061 6.546 1.00 2.54 H new ATOM 0 HH12 ARG A 181 -0.923 3.512 7.322 1.00 2.54 H new ATOM 0 HH21 ARG A 181 0.136 1.947 4.347 1.00 2.64 H new ATOM 0 HH22 ARG A 181 -0.130 1.758 6.083 1.00 2.64 H new ATOM 2542 N GLU A 182 4.086 8.395 5.709 1.00 1.11 N ATOM 2543 CA GLU A 182 4.335 9.591 6.483 1.00 1.18 C ATOM 2544 C GLU A 182 5.548 10.318 5.914 1.00 1.16 C ATOM 2545 O GLU A 182 5.941 11.383 6.388 1.00 1.25 O ATOM 2546 CB GLU A 182 4.559 9.235 7.956 1.00 1.25 C ATOM 2547 CG GLU A 182 5.904 8.583 8.246 1.00 1.34 C ATOM 2548 CD GLU A 182 6.192 8.493 9.729 1.00 1.89 C ATOM 2549 OE1 GLU A 182 5.751 7.519 10.375 1.00 2.30 O ATOM 2550 OE2 GLU A 182 6.859 9.403 10.262 1.00 2.31 O ATOM 0 H GLU A 182 4.890 7.776 5.610 1.00 1.11 H new ATOM 0 HA GLU A 182 3.467 10.248 6.423 1.00 1.18 H new ATOM 0 HB2 GLU A 182 4.472 10.142 8.554 1.00 1.25 H new ATOM 0 HB3 GLU A 182 3.765 8.562 8.280 1.00 1.25 H new ATOM 0 HG2 GLU A 182 5.921 7.583 7.814 1.00 1.34 H new ATOM 0 HG3 GLU A 182 6.694 9.154 7.759 1.00 1.34 H new ATOM 2557 N GLN A 183 6.126 9.728 4.875 1.00 1.07 N ATOM 2558 CA GLN A 183 7.349 10.238 4.274 1.00 1.06 C ATOM 2559 C GLN A 183 7.038 11.086 3.049 1.00 1.13 C ATOM 2560 O GLN A 183 7.864 11.881 2.604 1.00 1.22 O ATOM 2561 CB GLN A 183 8.235 9.067 3.865 1.00 1.00 C ATOM 2562 CG GLN A 183 8.368 8.015 4.947 1.00 1.00 C ATOM 2563 CD GLN A 183 8.901 6.701 4.425 1.00 1.04 C ATOM 2564 OE1 GLN A 183 8.714 6.345 3.262 1.00 1.65 O ATOM 2565 NE2 GLN A 183 9.556 5.961 5.289 1.00 0.81 N ATOM 0 H GLN A 183 5.761 8.887 4.428 1.00 1.07 H new ATOM 0 HA GLN A 183 7.863 10.861 5.006 1.00 1.06 H new ATOM 0 HB2 GLN A 183 7.825 8.606 2.967 1.00 1.00 H new ATOM 0 HB3 GLN A 183 9.226 9.442 3.607 1.00 1.00 H new ATOM 0 HG2 GLN A 183 9.031 8.386 5.728 1.00 1.00 H new ATOM 0 HG3 GLN A 183 7.394 7.849 5.408 1.00 1.00 H new ATOM 0 HE21 GLN A 183 9.690 6.291 6.245 1.00 0.81 H new ATOM 0 HE22 GLN A 183 9.931 5.056 5.005 1.00 0.81 H new ATOM 2574 N GLY A 184 5.846 10.903 2.502 1.00 1.16 N ATOM 2575 CA GLY A 184 5.480 11.602 1.287 1.00 1.28 C ATOM 2576 C GLY A 184 6.043 10.921 0.058 1.00 1.23 C ATOM 2577 O GLY A 184 6.110 11.516 -1.016 1.00 1.38 O ATOM 0 H GLY A 184 5.126 10.284 2.876 1.00 1.16 H new ATOM 0 HA2 GLY A 184 4.394 11.653 1.210 1.00 1.28 H new ATOM 0 HA3 GLY A 184 5.845 12.628 1.334 1.00 1.28 H new ATOM 2581 N VAL A 185 6.469 9.676 0.229 1.00 1.10 N ATOM 2582 CA VAL A 185 6.997 8.891 -0.874 1.00 1.08 C ATOM 2583 C VAL A 185 5.879 8.410 -1.794 1.00 1.02 C ATOM 2584 O VAL A 185 4.767 8.115 -1.343 1.00 1.15 O ATOM 2585 CB VAL A 185 7.789 7.678 -0.354 1.00 1.13 C ATOM 2586 CG1 VAL A 185 8.898 8.136 0.576 1.00 1.31 C ATOM 2587 CG2 VAL A 185 6.874 6.687 0.353 1.00 1.14 C ATOM 0 H VAL A 185 6.458 9.189 1.125 1.00 1.10 H new ATOM 0 HA VAL A 185 7.665 9.538 -1.442 1.00 1.08 H new ATOM 0 HB VAL A 185 8.234 7.170 -1.209 1.00 1.13 H new ATOM 0 HG11 VAL A 185 9.451 7.269 0.937 1.00 1.31 H new ATOM 0 HG12 VAL A 185 9.574 8.799 0.037 1.00 1.31 H new ATOM 0 HG13 VAL A 185 8.466 8.669 1.423 1.00 1.31 H new ATOM 0 HG21 VAL A 185 7.461 5.841 0.710 1.00 1.14 H new ATOM 0 HG22 VAL A 185 6.392 7.177 1.199 1.00 1.14 H new ATOM 0 HG23 VAL A 185 6.113 6.334 -0.343 1.00 1.14 H new ATOM 2597 N GLU A 186 6.181 8.339 -3.079 1.00 0.93 N ATOM 2598 CA GLU A 186 5.228 7.873 -4.071 1.00 0.92 C ATOM 2599 C GLU A 186 5.771 6.635 -4.785 1.00 0.83 C ATOM 2600 O GLU A 186 6.604 5.903 -4.239 1.00 0.82 O ATOM 2601 CB GLU A 186 4.933 8.985 -5.083 1.00 1.02 C ATOM 2602 CG GLU A 186 4.346 10.240 -4.465 1.00 1.46 C ATOM 2603 CD GLU A 186 3.015 9.994 -3.780 1.00 2.45 C ATOM 2604 OE1 GLU A 186 2.333 8.999 -4.121 1.00 2.97 O ATOM 2605 OE2 GLU A 186 2.640 10.798 -2.899 1.00 3.02 O ATOM 0 H GLU A 186 7.089 8.601 -3.463 1.00 0.93 H new ATOM 0 HA GLU A 186 4.300 7.604 -3.567 1.00 0.92 H new ATOM 0 HB2 GLU A 186 5.856 9.245 -5.602 1.00 1.02 H new ATOM 0 HB3 GLU A 186 4.241 8.604 -5.835 1.00 1.02 H new ATOM 0 HG2 GLU A 186 5.052 10.647 -3.741 1.00 1.46 H new ATOM 0 HG3 GLU A 186 4.216 10.994 -5.241 1.00 1.46 H new ATOM 2612 N GLU A 187 5.299 6.408 -6.004 1.00 0.89 N ATOM 2613 CA GLU A 187 5.632 5.203 -6.750 1.00 0.91 C ATOM 2614 C GLU A 187 6.595 5.494 -7.898 1.00 0.91 C ATOM 2615 O GLU A 187 6.856 4.621 -8.723 1.00 1.14 O ATOM 2616 CB GLU A 187 4.353 4.605 -7.324 1.00 1.05 C ATOM 2617 CG GLU A 187 3.266 4.371 -6.293 1.00 1.11 C ATOM 2618 CD GLU A 187 1.896 4.289 -6.924 1.00 1.36 C ATOM 2619 OE1 GLU A 187 1.536 3.214 -7.444 1.00 1.72 O ATOM 2620 OE2 GLU A 187 1.175 5.310 -6.913 1.00 1.86 O ATOM 0 H GLU A 187 4.679 7.049 -6.500 1.00 0.89 H new ATOM 0 HA GLU A 187 6.118 4.508 -6.065 1.00 0.91 H new ATOM 0 HB2 GLU A 187 3.969 5.269 -8.098 1.00 1.05 H new ATOM 0 HB3 GLU A 187 4.592 3.657 -7.807 1.00 1.05 H new ATOM 0 HG2 GLU A 187 3.472 3.447 -5.752 1.00 1.11 H new ATOM 0 HG3 GLU A 187 3.280 5.179 -5.561 1.00 1.11 H new ATOM 2627 N HIS A 188 7.127 6.707 -7.963 1.00 0.92 N ATOM 2628 CA HIS A 188 7.917 7.096 -9.130 1.00 0.95 C ATOM 2629 C HIS A 188 9.377 7.401 -8.795 1.00 0.92 C ATOM 2630 O HIS A 188 10.223 7.416 -9.689 1.00 1.01 O ATOM 2631 CB HIS A 188 7.269 8.271 -9.883 1.00 1.04 C ATOM 2632 CG HIS A 188 6.848 9.437 -9.033 1.00 1.03 C ATOM 2633 ND1 HIS A 188 5.538 9.668 -8.681 1.00 1.09 N ATOM 2634 CD2 HIS A 188 7.556 10.469 -8.517 1.00 1.08 C ATOM 2635 CE1 HIS A 188 5.456 10.790 -7.996 1.00 1.14 C ATOM 2636 NE2 HIS A 188 6.666 11.303 -7.880 1.00 1.15 N ATOM 0 H HIS A 188 7.032 7.424 -7.244 1.00 0.92 H new ATOM 0 HA HIS A 188 7.925 6.227 -9.788 1.00 0.95 H new ATOM 0 HB2 HIS A 188 7.972 8.629 -10.635 1.00 1.04 H new ATOM 0 HB3 HIS A 188 6.394 7.899 -10.416 1.00 1.04 H new ATOM 0 HD1 HIS A 188 4.751 9.063 -8.915 1.00 1.09 H new ATOM 0 HD2 HIS A 188 8.624 10.612 -8.592 1.00 1.08 H new ATOM 0 HE1 HIS A 188 4.549 11.219 -7.596 1.00 1.14 H new ATOM 2645 N GLU A 189 9.681 7.623 -7.527 1.00 0.89 N ATOM 2646 CA GLU A 189 11.053 7.919 -7.120 1.00 0.92 C ATOM 2647 C GLU A 189 11.889 6.646 -7.054 1.00 0.78 C ATOM 2648 O GLU A 189 11.367 5.566 -6.775 1.00 0.74 O ATOM 2649 CB GLU A 189 11.085 8.615 -5.760 1.00 1.10 C ATOM 2650 CG GLU A 189 10.070 9.732 -5.610 1.00 1.37 C ATOM 2651 CD GLU A 189 8.728 9.230 -5.129 1.00 1.82 C ATOM 2652 OE1 GLU A 189 7.919 8.816 -5.977 1.00 2.34 O ATOM 2653 OE2 GLU A 189 8.478 9.258 -3.904 1.00 2.38 O ATOM 0 H GLU A 189 9.005 7.605 -6.763 1.00 0.89 H new ATOM 0 HA GLU A 189 11.477 8.586 -7.871 1.00 0.92 H new ATOM 0 HB2 GLU A 189 10.910 7.873 -4.981 1.00 1.10 H new ATOM 0 HB3 GLU A 189 12.083 9.021 -5.596 1.00 1.10 H new ATOM 0 HG2 GLU A 189 10.451 10.473 -4.907 1.00 1.37 H new ATOM 0 HG3 GLU A 189 9.944 10.236 -6.568 1.00 1.37 H new ATOM 2660 N THR A 190 13.180 6.771 -7.341 1.00 0.74 N ATOM 2661 CA THR A 190 14.093 5.639 -7.267 1.00 0.66 C ATOM 2662 C THR A 190 14.533 5.374 -5.828 1.00 0.57 C ATOM 2663 O THR A 190 15.037 6.266 -5.146 1.00 0.61 O ATOM 2664 CB THR A 190 15.339 5.885 -8.142 1.00 0.70 C ATOM 2665 OG1 THR A 190 14.941 6.405 -9.417 1.00 0.81 O ATOM 2666 CG2 THR A 190 16.126 4.597 -8.344 1.00 0.66 C ATOM 0 H THR A 190 13.617 7.647 -7.627 1.00 0.74 H new ATOM 0 HA THR A 190 13.556 4.765 -7.637 1.00 0.66 H new ATOM 0 HB THR A 190 15.977 6.606 -7.632 1.00 0.70 H new ATOM 0 HG1 THR A 190 15.736 6.561 -9.969 1.00 0.81 H new ATOM 0 HG21 THR A 190 16.999 4.798 -8.964 1.00 0.66 H new ATOM 0 HG22 THR A 190 16.449 4.212 -7.377 1.00 0.66 H new ATOM 0 HG23 THR A 190 15.494 3.858 -8.836 1.00 0.66 H new ATOM 2674 N LEU A 191 14.348 4.143 -5.376 1.00 0.48 N ATOM 2675 CA LEU A 191 14.732 3.763 -4.024 1.00 0.42 C ATOM 2676 C LEU A 191 15.917 2.813 -4.111 1.00 0.39 C ATOM 2677 O LEU A 191 15.941 1.923 -4.959 1.00 0.38 O ATOM 2678 CB LEU A 191 13.573 3.085 -3.269 1.00 0.41 C ATOM 2679 CG LEU A 191 12.195 3.772 -3.337 1.00 0.51 C ATOM 2680 CD1 LEU A 191 12.315 5.286 -3.321 1.00 1.01 C ATOM 2681 CD2 LEU A 191 11.418 3.309 -4.557 1.00 0.82 C ATOM 0 H LEU A 191 13.934 3.390 -5.925 1.00 0.48 H new ATOM 0 HA LEU A 191 14.998 4.663 -3.469 1.00 0.42 H new ATOM 0 HB2 LEU A 191 13.465 2.071 -3.654 1.00 0.41 H new ATOM 0 HB3 LEU A 191 13.857 2.999 -2.220 1.00 0.41 H new ATOM 0 HG LEU A 191 11.644 3.478 -2.443 1.00 0.51 H new ATOM 0 HD11 LEU A 191 11.321 5.730 -3.370 1.00 1.01 H new ATOM 0 HD12 LEU A 191 12.809 5.602 -2.402 1.00 1.01 H new ATOM 0 HD13 LEU A 191 12.902 5.614 -4.179 1.00 1.01 H new ATOM 0 HD21 LEU A 191 10.449 3.808 -4.582 1.00 0.82 H new ATOM 0 HD22 LEU A 191 11.977 3.556 -5.460 1.00 0.82 H new ATOM 0 HD23 LEU A 191 11.269 2.230 -4.506 1.00 0.82 H new ATOM 2693 N LEU A 192 16.913 2.994 -3.262 1.00 0.39 N ATOM 2694 CA LEU A 192 18.136 2.220 -3.372 1.00 0.41 C ATOM 2695 C LEU A 192 18.318 1.332 -2.147 1.00 0.40 C ATOM 2696 O LEU A 192 18.016 1.741 -1.024 1.00 0.44 O ATOM 2697 CB LEU A 192 19.334 3.164 -3.499 1.00 0.44 C ATOM 2698 CG LEU A 192 19.058 4.485 -4.227 1.00 0.49 C ATOM 2699 CD1 LEU A 192 20.238 5.425 -4.083 1.00 0.56 C ATOM 2700 CD2 LEU A 192 18.757 4.246 -5.698 1.00 0.50 C ATOM 0 H LEU A 192 16.900 3.665 -2.494 1.00 0.39 H new ATOM 0 HA LEU A 192 18.070 1.589 -4.258 1.00 0.41 H new ATOM 0 HB2 LEU A 192 19.704 3.391 -2.499 1.00 0.44 H new ATOM 0 HB3 LEU A 192 20.133 2.640 -4.023 1.00 0.44 H new ATOM 0 HG LEU A 192 18.182 4.944 -3.769 1.00 0.49 H new ATOM 0 HD11 LEU A 192 20.026 6.358 -4.605 1.00 0.56 H new ATOM 0 HD12 LEU A 192 20.412 5.632 -3.027 1.00 0.56 H new ATOM 0 HD13 LEU A 192 21.126 4.962 -4.513 1.00 0.56 H new ATOM 0 HD21 LEU A 192 18.565 5.200 -6.190 1.00 0.50 H new ATOM 0 HD22 LEU A 192 19.611 3.760 -6.170 1.00 0.50 H new ATOM 0 HD23 LEU A 192 17.879 3.607 -5.791 1.00 0.50 H new ATOM 2712 N LEU A 193 18.778 0.112 -2.365 1.00 0.43 N ATOM 2713 CA LEU A 193 19.124 -0.780 -1.272 1.00 0.50 C ATOM 2714 C LEU A 193 20.583 -0.556 -0.872 1.00 0.47 C ATOM 2715 O LEU A 193 21.476 -0.595 -1.718 1.00 0.49 O ATOM 2716 CB LEU A 193 18.876 -2.236 -1.704 1.00 0.68 C ATOM 2717 CG LEU A 193 19.065 -3.312 -0.627 1.00 0.44 C ATOM 2718 CD1 LEU A 193 18.173 -4.505 -0.920 1.00 1.09 C ATOM 2719 CD2 LEU A 193 20.511 -3.775 -0.567 1.00 1.03 C ATOM 0 H LEU A 193 18.921 -0.285 -3.294 1.00 0.43 H new ATOM 0 HA LEU A 193 18.500 -0.571 -0.403 1.00 0.50 H new ATOM 0 HB2 LEU A 193 17.857 -2.310 -2.085 1.00 0.68 H new ATOM 0 HB3 LEU A 193 19.544 -2.464 -2.535 1.00 0.68 H new ATOM 0 HG LEU A 193 18.794 -2.875 0.334 1.00 0.44 H new ATOM 0 HD11 LEU A 193 18.315 -5.263 -0.150 1.00 1.09 H new ATOM 0 HD12 LEU A 193 17.131 -4.187 -0.928 1.00 1.09 H new ATOM 0 HD13 LEU A 193 18.432 -4.923 -1.893 1.00 1.09 H new ATOM 0 HD21 LEU A 193 20.617 -4.538 0.205 1.00 1.03 H new ATOM 0 HD22 LEU A 193 20.800 -4.192 -1.532 1.00 1.03 H new ATOM 0 HD23 LEU A 193 21.155 -2.928 -0.331 1.00 1.03 H new ATOM 2731 N ARG A 194 20.817 -0.305 0.410 1.00 0.46 N ATOM 2732 CA ARG A 194 22.158 -0.026 0.911 1.00 0.46 C ATOM 2733 C ARG A 194 22.503 -0.980 2.039 1.00 0.44 C ATOM 2734 O ARG A 194 21.626 -1.416 2.778 1.00 0.49 O ATOM 2735 CB ARG A 194 22.258 1.408 1.435 1.00 0.53 C ATOM 2736 CG ARG A 194 22.016 2.485 0.392 1.00 0.60 C ATOM 2737 CD ARG A 194 23.116 2.537 -0.653 1.00 0.65 C ATOM 2738 NE ARG A 194 24.444 2.679 -0.053 1.00 0.69 N ATOM 2739 CZ ARG A 194 25.449 3.343 -0.617 1.00 0.95 C ATOM 2740 NH1 ARG A 194 25.268 3.997 -1.757 1.00 1.25 N ATOM 2741 NH2 ARG A 194 26.635 3.371 -0.030 1.00 1.06 N ATOM 0 H ARG A 194 20.091 -0.289 1.126 1.00 0.46 H new ATOM 0 HA ARG A 194 22.856 -0.156 0.084 1.00 0.46 H new ATOM 0 HB2 ARG A 194 21.538 1.536 2.243 1.00 0.53 H new ATOM 0 HB3 ARG A 194 23.249 1.555 1.865 1.00 0.53 H new ATOM 0 HG2 ARG A 194 21.060 2.303 -0.099 1.00 0.60 H new ATOM 0 HG3 ARG A 194 21.941 3.454 0.885 1.00 0.60 H new ATOM 0 HD2 ARG A 194 23.086 1.628 -1.254 1.00 0.65 H new ATOM 0 HD3 ARG A 194 22.933 3.373 -1.329 1.00 0.65 H new ATOM 0 HE ARG A 194 24.609 2.242 0.854 1.00 0.69 H new ATOM 0 HH11 ARG A 194 24.353 3.993 -2.207 1.00 1.25 H new ATOM 0 HH12 ARG A 194 26.044 4.504 -2.183 1.00 1.25 H new ATOM 0 HH21 ARG A 194 26.778 2.883 0.854 1.00 1.06 H new ATOM 0 HH22 ARG A 194 27.406 3.880 -0.462 1.00 1.06 H new ATOM 2755 N ARG A 195 23.771 -1.314 2.165 1.00 0.45 N ATOM 2756 CA ARG A 195 24.217 -2.136 3.273 1.00 0.50 C ATOM 2757 C ARG A 195 24.498 -1.248 4.477 1.00 0.55 C ATOM 2758 O ARG A 195 25.299 -0.315 4.393 1.00 0.64 O ATOM 2759 CB ARG A 195 25.463 -2.932 2.889 1.00 0.59 C ATOM 2760 CG ARG A 195 25.704 -4.134 3.784 1.00 1.02 C ATOM 2761 CD ARG A 195 26.871 -4.971 3.293 1.00 1.07 C ATOM 2762 NE ARG A 195 26.811 -6.331 3.819 1.00 1.49 N ATOM 2763 CZ ARG A 195 27.508 -7.354 3.335 1.00 2.13 C ATOM 2764 NH1 ARG A 195 28.406 -7.160 2.374 1.00 2.34 N ATOM 2765 NH2 ARG A 195 27.304 -8.571 3.820 1.00 2.68 N ATOM 0 H ARG A 195 24.508 -1.031 1.519 1.00 0.45 H new ATOM 0 HA ARG A 195 23.432 -2.849 3.527 1.00 0.50 H new ATOM 0 HB2 ARG A 195 25.367 -3.269 1.857 1.00 0.59 H new ATOM 0 HB3 ARG A 195 26.332 -2.276 2.931 1.00 0.59 H new ATOM 0 HG2 ARG A 195 25.900 -3.797 4.802 1.00 1.02 H new ATOM 0 HG3 ARG A 195 24.804 -4.748 3.819 1.00 1.02 H new ATOM 0 HD2 ARG A 195 26.866 -5.000 2.203 1.00 1.07 H new ATOM 0 HD3 ARG A 195 27.808 -4.504 3.595 1.00 1.07 H new ATOM 0 HE ARG A 195 26.193 -6.508 4.611 1.00 1.49 H new ATOM 0 HH11 ARG A 195 28.563 -6.222 2.004 1.00 2.34 H new ATOM 0 HH12 ARG A 195 28.938 -7.949 2.006 1.00 2.34 H new ATOM 0 HH21 ARG A 195 26.616 -8.717 4.559 1.00 2.68 H new ATOM 0 HH22 ARG A 195 27.835 -9.361 3.454 1.00 2.68 H new ATOM 2779 N LYS A 196 23.819 -1.515 5.583 1.00 0.60 N ATOM 2780 CA LYS A 196 23.966 -0.698 6.778 1.00 0.69 C ATOM 2781 C LYS A 196 24.948 -1.341 7.744 1.00 0.76 C ATOM 2782 O LYS A 196 25.840 -0.677 8.275 1.00 0.88 O ATOM 2783 CB LYS A 196 22.614 -0.497 7.465 1.00 0.75 C ATOM 2784 CG LYS A 196 22.666 0.484 8.625 1.00 0.88 C ATOM 2785 CD LYS A 196 21.301 0.669 9.264 1.00 1.28 C ATOM 2786 CE LYS A 196 21.324 1.753 10.332 1.00 1.65 C ATOM 2787 NZ LYS A 196 21.647 3.091 9.766 1.00 2.15 N ATOM 0 H LYS A 196 23.162 -2.290 5.678 1.00 0.60 H new ATOM 0 HA LYS A 196 24.353 0.276 6.478 1.00 0.69 H new ATOM 0 HB2 LYS A 196 21.891 -0.142 6.731 1.00 0.75 H new ATOM 0 HB3 LYS A 196 22.253 -1.459 7.828 1.00 0.75 H new ATOM 0 HG2 LYS A 196 23.373 0.126 9.373 1.00 0.88 H new ATOM 0 HG3 LYS A 196 23.036 1.446 8.272 1.00 0.88 H new ATOM 0 HD2 LYS A 196 20.572 0.929 8.497 1.00 1.28 H new ATOM 0 HD3 LYS A 196 20.976 -0.272 9.707 1.00 1.28 H new ATOM 0 HE2 LYS A 196 20.354 1.794 10.827 1.00 1.65 H new ATOM 0 HE3 LYS A 196 22.060 1.495 11.094 1.00 1.65 H new ATOM 0 HZ1 LYS A 196 21.407 3.828 10.459 1.00 2.15 H new ATOM 0 HZ2 LYS A 196 22.662 3.139 9.547 1.00 2.15 H new ATOM 0 HZ3 LYS A 196 21.097 3.242 8.896 1.00 2.15 H new ATOM 2801 N PHE A 197 24.785 -2.637 7.966 1.00 0.77 N ATOM 2802 CA PHE A 197 25.678 -3.364 8.851 1.00 0.89 C ATOM 2803 C PHE A 197 26.831 -3.943 8.061 1.00 0.96 C ATOM 2804 O PHE A 197 26.664 -4.361 6.915 1.00 0.92 O ATOM 2805 CB PHE A 197 24.953 -4.495 9.579 1.00 0.95 C ATOM 2806 CG PHE A 197 23.762 -4.049 10.380 1.00 0.94 C ATOM 2807 CD1 PHE A 197 23.772 -2.847 11.068 1.00 1.14 C ATOM 2808 CD2 PHE A 197 22.626 -4.835 10.432 1.00 0.92 C ATOM 2809 CE1 PHE A 197 22.669 -2.440 11.794 1.00 1.19 C ATOM 2810 CE2 PHE A 197 21.520 -4.437 11.153 1.00 0.95 C ATOM 2811 CZ PHE A 197 21.541 -3.236 11.836 1.00 1.03 C ATOM 0 H PHE A 197 24.047 -3.203 7.547 1.00 0.77 H new ATOM 0 HA PHE A 197 26.049 -2.658 9.594 1.00 0.89 H new ATOM 0 HB2 PHE A 197 24.628 -5.234 8.846 1.00 0.95 H new ATOM 0 HB3 PHE A 197 25.658 -4.994 10.244 1.00 0.95 H new ATOM 0 HD1 PHE A 197 24.652 -2.221 11.037 1.00 1.14 H new ATOM 0 HD2 PHE A 197 22.604 -5.775 9.900 1.00 0.92 H new ATOM 0 HE1 PHE A 197 22.689 -1.501 12.328 1.00 1.19 H new ATOM 0 HE2 PHE A 197 20.640 -5.062 11.184 1.00 0.95 H new ATOM 0 HZ PHE A 197 20.677 -2.920 12.402 1.00 1.03 H new