USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 589 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 118 MET CE :methyl 136:sc= -0.0912 (180deg=-1.82) USER MOD Set 1.2: A 138 THR OG1 : rot -130:sc= -0.0498 USER MOD Set 2.1: A 98 SER OG : rot 122:sc= 1.34 USER MOD Set 2.2: A 165 HIS : no HD1:sc= -0.468 K(o=0.87,f=-6.7!) USER MOD Single : A 96 THR OG1 : rot -24:sc= 0.0335 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 37:sc= 0.152 USER MOD Single : A 122 CYS SG : rot -51:sc= -2.96! USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 125 GLN : amide:sc= -0.069 X(o=-0.069,f=-0.32) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 MET CE :methyl -121:sc= -4.19! (180deg=-10.3!) USER MOD Single : A 129 THR OG1 : rot -150:sc= -0.0218 USER MOD Single : A 140 THR OG1 : rot 63:sc= 0.815 USER MOD Single : A 141 HIS : no HE2:sc= -0.41 X(o=-0.41,f=-0.38) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.011) USER MOD Single : A 147 HIS :FLIP no HD1:sc= -0.0435 F(o=-0.6,f=-0.043) USER MOD Single : A 149 CYS SG : rot 140:sc= -4.3! USER MOD Single : A 150 TYR OH : rot 180:sc= -0.608 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 67:sc= 1.21 USER MOD Single : A 171 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N THR A 96 11.168 1.154 -9.061 1.00 32.33 N ATOM 146 CA THR A 96 11.280 1.236 -7.610 1.00 24.05 C ATOM 147 C THR A 96 10.091 1.974 -7.006 1.00 43.43 C ATOM 148 O THR A 96 10.257 2.858 -6.167 1.00 14.42 O ATOM 149 CB THR A 96 12.579 1.947 -7.186 1.00 45.13 C ATOM 150 OG1 THR A 96 12.584 3.293 -7.676 1.00 64.51 O ATOM 151 CG2 THR A 96 13.799 1.206 -7.714 1.00 63.22 C ATOM 0 HA THR A 96 11.296 0.212 -7.237 1.00 24.05 H new ATOM 0 HB THR A 96 12.622 1.957 -6.097 1.00 45.13 H new ATOM 0 HG1 THR A 96 11.996 3.359 -8.457 1.00 64.51 H new ATOM 0 HG21 THR A 96 14.704 1.727 -7.402 1.00 63.22 H new ATOM 0 HG22 THR A 96 13.809 0.191 -7.316 1.00 63.22 H new ATOM 0 HG23 THR A 96 13.759 1.169 -8.803 1.00 63.22 H new ATOM 159 N THR A 97 8.889 1.605 -7.440 1.00 25.42 N ATOM 160 CA THR A 97 7.672 2.232 -6.943 1.00 31.25 C ATOM 161 C THR A 97 6.458 1.343 -7.183 1.00 55.23 C ATOM 162 O THR A 97 6.218 0.893 -8.304 1.00 63.42 O ATOM 163 CB THR A 97 7.433 3.600 -7.609 1.00 52.02 C ATOM 164 OG1 THR A 97 7.906 3.577 -8.960 1.00 62.21 O ATOM 165 CG2 THR A 97 8.135 4.708 -6.839 1.00 71.12 C ATOM 0 H THR A 97 8.734 0.875 -8.135 1.00 25.42 H new ATOM 0 HA THR A 97 7.806 2.377 -5.871 1.00 31.25 H new ATOM 0 HB THR A 97 6.361 3.799 -7.603 1.00 52.02 H new ATOM 0 HG1 THR A 97 7.749 4.450 -9.377 1.00 62.21 H new ATOM 0 HG21 THR A 97 7.951 5.664 -7.329 1.00 71.12 H new ATOM 0 HG22 THR A 97 7.750 4.743 -5.820 1.00 71.12 H new ATOM 0 HG23 THR A 97 9.207 4.512 -6.816 1.00 71.12 H new ATOM 173 N SER A 98 5.693 1.094 -6.125 1.00 72.11 N ATOM 174 CA SER A 98 4.504 0.255 -6.221 1.00 1.32 C ATOM 175 C SER A 98 3.235 1.101 -6.150 1.00 63.33 C ATOM 176 O SER A 98 2.930 1.698 -5.117 1.00 52.14 O ATOM 177 CB SER A 98 4.499 -0.789 -5.103 1.00 54.10 C ATOM 178 OG SER A 98 5.732 -1.483 -5.047 1.00 23.23 O ATOM 0 H SER A 98 5.875 1.461 -5.191 1.00 72.11 H new ATOM 0 HA SER A 98 4.526 -0.255 -7.184 1.00 1.32 H new ATOM 0 HB2 SER A 98 4.309 -0.301 -4.147 1.00 54.10 H new ATOM 0 HB3 SER A 98 3.687 -1.497 -5.266 1.00 54.10 H new ATOM 0 HG SER A 98 6.128 -1.376 -4.157 1.00 23.23 H new ATOM 184 N THR A 99 2.499 1.146 -7.256 1.00 64.24 N ATOM 185 CA THR A 99 1.265 1.919 -7.322 1.00 24.40 C ATOM 186 C THR A 99 0.049 1.004 -7.397 1.00 73.23 C ATOM 187 O THR A 99 0.160 -0.164 -7.769 1.00 43.13 O ATOM 188 CB THR A 99 1.259 2.864 -8.537 1.00 11.44 C ATOM 189 OG1 THR A 99 1.678 2.159 -9.710 1.00 60.10 O ATOM 190 CG2 THR A 99 2.175 4.056 -8.301 1.00 71.12 C ATOM 0 H THR A 99 2.736 0.656 -8.119 1.00 64.24 H new ATOM 0 HA THR A 99 1.214 2.513 -6.410 1.00 24.40 H new ATOM 0 HB THR A 99 0.242 3.230 -8.678 1.00 11.44 H new ATOM 0 HG1 THR A 99 1.669 2.768 -10.478 1.00 60.10 H new ATOM 0 HG21 THR A 99 2.154 4.709 -9.173 1.00 71.12 H new ATOM 0 HG22 THR A 99 1.835 4.609 -7.425 1.00 71.12 H new ATOM 0 HG23 THR A 99 3.193 3.705 -8.135 1.00 71.12 H new ATOM 198 N TRP A 100 -1.113 1.542 -7.044 1.00 33.34 N ATOM 199 CA TRP A 100 -2.352 0.773 -7.072 1.00 71.23 C ATOM 200 C TRP A 100 -3.546 1.675 -7.367 1.00 64.11 C ATOM 201 O TRP A 100 -3.502 2.880 -7.118 1.00 40.23 O ATOM 202 CB TRP A 100 -2.559 0.051 -5.740 1.00 11.05 C ATOM 203 CG TRP A 100 -1.399 -0.811 -5.345 1.00 32.23 C ATOM 204 CD1 TRP A 100 -1.166 -2.101 -5.729 1.00 53.13 C ATOM 205 CD2 TRP A 100 -0.314 -0.445 -4.485 1.00 63.40 C ATOM 206 NE1 TRP A 100 -0.002 -2.558 -5.161 1.00 72.45 N ATOM 207 CE2 TRP A 100 0.541 -1.563 -4.395 1.00 12.44 C ATOM 208 CE3 TRP A 100 0.021 0.717 -3.786 1.00 25.10 C ATOM 209 CZ2 TRP A 100 1.705 -1.548 -3.632 1.00 31.45 C ATOM 210 CZ3 TRP A 100 1.178 0.729 -3.029 1.00 33.41 C ATOM 211 CH2 TRP A 100 2.008 -0.397 -2.957 1.00 11.22 C ATOM 0 H TRP A 100 -1.223 2.508 -6.735 1.00 33.34 H new ATOM 0 HA TRP A 100 -2.273 0.034 -7.869 1.00 71.23 H new ATOM 0 HB2 TRP A 100 -2.736 0.790 -4.958 1.00 11.05 H new ATOM 0 HB3 TRP A 100 -3.455 -0.566 -5.805 1.00 11.05 H new ATOM 0 HD1 TRP A 100 -1.804 -2.677 -6.383 1.00 53.13 H new ATOM 0 HE1 TRP A 100 0.394 -3.489 -5.290 1.00 72.45 H new ATOM 0 HE3 TRP A 100 -0.612 1.590 -3.836 1.00 25.10 H new ATOM 0 HZ2 TRP A 100 2.347 -2.415 -3.575 1.00 31.45 H new ATOM 0 HZ3 TRP A 100 1.446 1.622 -2.484 1.00 33.41 H new ATOM 0 HH2 TRP A 100 2.905 -0.356 -2.357 1.00 11.22 H new ATOM 222 N VAL A 101 -4.611 1.084 -7.898 1.00 42.41 N ATOM 223 CA VAL A 101 -5.818 1.834 -8.226 1.00 12.35 C ATOM 224 C VAL A 101 -7.062 1.138 -7.686 1.00 72.10 C ATOM 225 O VAL A 101 -7.404 0.035 -8.114 1.00 73.33 O ATOM 226 CB VAL A 101 -5.967 2.022 -9.747 1.00 5.21 C ATOM 227 CG1 VAL A 101 -7.098 2.990 -10.057 1.00 42.43 C ATOM 228 CG2 VAL A 101 -4.658 2.505 -10.355 1.00 21.52 C ATOM 0 H VAL A 101 -4.663 0.088 -8.110 1.00 42.41 H new ATOM 0 HA VAL A 101 -5.720 2.812 -7.755 1.00 12.35 H new ATOM 0 HB VAL A 101 -6.214 1.058 -10.192 1.00 5.21 H new ATOM 0 HG11 VAL A 101 -7.188 3.110 -11.137 1.00 42.43 H new ATOM 0 HG12 VAL A 101 -8.033 2.598 -9.656 1.00 42.43 H new ATOM 0 HG13 VAL A 101 -6.885 3.957 -9.601 1.00 42.43 H new ATOM 0 HG21 VAL A 101 -4.782 2.632 -11.430 1.00 21.52 H new ATOM 0 HG22 VAL A 101 -4.378 3.458 -9.906 1.00 21.52 H new ATOM 0 HG23 VAL A 101 -3.875 1.771 -10.164 1.00 21.52 H new ATOM 238 N LEU A 102 -7.736 1.789 -6.744 1.00 63.43 N ATOM 239 CA LEU A 102 -8.944 1.232 -6.145 1.00 30.12 C ATOM 240 C LEU A 102 -9.984 2.321 -5.906 1.00 73.32 C ATOM 241 O LEU A 102 -9.642 3.471 -5.629 1.00 21.54 O ATOM 242 CB LEU A 102 -8.608 0.533 -4.826 1.00 4.41 C ATOM 243 CG LEU A 102 -8.252 1.448 -3.654 1.00 2.44 C ATOM 244 CD1 LEU A 102 -8.923 0.967 -2.377 1.00 34.21 C ATOM 245 CD2 LEU A 102 -6.743 1.519 -3.471 1.00 63.52 C ATOM 0 H LEU A 102 -7.467 2.702 -6.379 1.00 63.43 H new ATOM 0 HA LEU A 102 -9.361 0.502 -6.839 1.00 30.12 H new ATOM 0 HB2 LEU A 102 -9.461 -0.081 -4.536 1.00 4.41 H new ATOM 0 HB3 LEU A 102 -7.772 -0.144 -4.999 1.00 4.41 H new ATOM 0 HG LEU A 102 -8.618 2.450 -3.877 1.00 2.44 H new ATOM 0 HD11 LEU A 102 -8.658 1.631 -1.554 1.00 34.21 H new ATOM 0 HD12 LEU A 102 -10.005 0.970 -2.511 1.00 34.21 H new ATOM 0 HD13 LEU A 102 -8.588 -0.045 -2.149 1.00 34.21 H new ATOM 0 HD21 LEU A 102 -6.509 2.175 -2.632 1.00 63.52 H new ATOM 0 HD22 LEU A 102 -6.353 0.521 -3.271 1.00 63.52 H new ATOM 0 HD23 LEU A 102 -6.285 1.912 -4.378 1.00 63.52 H new ATOM 257 N ARG A 103 -11.257 1.950 -6.014 1.00 4.14 N ATOM 258 CA ARG A 103 -12.347 2.896 -5.809 1.00 53.22 C ATOM 259 C ARG A 103 -12.540 3.188 -4.324 1.00 54.33 C ATOM 260 O ARG A 103 -13.244 2.460 -3.623 1.00 71.14 O ATOM 261 CB ARG A 103 -13.645 2.346 -6.404 1.00 45.40 C ATOM 262 CG ARG A 103 -14.008 2.963 -7.745 1.00 11.30 C ATOM 263 CD ARG A 103 -15.496 3.267 -7.834 1.00 21.40 C ATOM 264 NE ARG A 103 -16.093 2.726 -9.052 1.00 32.41 N ATOM 265 CZ ARG A 103 -17.375 2.872 -9.370 1.00 61.40 C ATOM 266 NH1 ARG A 103 -18.189 3.538 -8.563 1.00 41.03 N ATOM 267 NH2 ARG A 103 -17.844 2.350 -10.496 1.00 33.43 N ATOM 0 H ARG A 103 -11.558 1.002 -6.242 1.00 4.14 H new ATOM 0 HA ARG A 103 -12.088 3.826 -6.314 1.00 53.22 H new ATOM 0 HB2 ARG A 103 -13.552 1.267 -6.523 1.00 45.40 H new ATOM 0 HB3 ARG A 103 -14.460 2.520 -5.701 1.00 45.40 H new ATOM 0 HG2 ARG A 103 -13.439 3.881 -7.890 1.00 11.30 H new ATOM 0 HG3 ARG A 103 -13.726 2.282 -8.548 1.00 11.30 H new ATOM 0 HD2 ARG A 103 -16.004 2.849 -6.965 1.00 21.40 H new ATOM 0 HD3 ARG A 103 -15.648 4.346 -7.804 1.00 21.40 H new ATOM 0 HE ARG A 103 -15.493 2.208 -9.694 1.00 32.41 H new ATOM 0 HH11 ARG A 103 -17.832 3.940 -7.696 1.00 41.03 H new ATOM 0 HH12 ARG A 103 -19.173 3.649 -8.809 1.00 41.03 H new ATOM 0 HH21 ARG A 103 -17.220 1.836 -11.118 1.00 33.43 H new ATOM 0 HH22 ARG A 103 -18.828 2.463 -10.739 1.00 33.43 H new ATOM 281 N LEU A 104 -11.912 4.259 -3.850 1.00 54.11 N ATOM 282 CA LEU A 104 -12.014 4.649 -2.448 1.00 71.30 C ATOM 283 C LEU A 104 -12.525 6.079 -2.317 1.00 41.21 C ATOM 284 O LEU A 104 -12.350 6.897 -3.221 1.00 32.24 O ATOM 285 CB LEU A 104 -10.654 4.515 -1.761 1.00 13.03 C ATOM 286 CG LEU A 104 -10.680 4.036 -0.309 1.00 54.22 C ATOM 287 CD1 LEU A 104 -9.560 3.039 -0.055 1.00 40.15 C ATOM 288 CD2 LEU A 104 -10.571 5.218 0.644 1.00 65.34 C ATOM 0 H LEU A 104 -11.327 4.873 -4.416 1.00 54.11 H new ATOM 0 HA LEU A 104 -12.726 3.983 -1.961 1.00 71.30 H new ATOM 0 HB2 LEU A 104 -10.043 3.822 -2.340 1.00 13.03 H new ATOM 0 HB3 LEU A 104 -10.156 5.484 -1.794 1.00 13.03 H new ATOM 0 HG LEU A 104 -11.631 3.535 -0.129 1.00 54.22 H new ATOM 0 HD11 LEU A 104 -9.595 2.710 0.983 1.00 40.15 H new ATOM 0 HD12 LEU A 104 -9.683 2.179 -0.713 1.00 40.15 H new ATOM 0 HD13 LEU A 104 -8.599 3.513 -0.253 1.00 40.15 H new ATOM 0 HD21 LEU A 104 -10.591 4.859 1.673 1.00 65.34 H new ATOM 0 HD22 LEU A 104 -9.635 5.747 0.462 1.00 65.34 H new ATOM 0 HD23 LEU A 104 -11.409 5.896 0.480 1.00 65.34 H new ATOM 300 N ASP A 105 -13.155 6.375 -1.186 1.00 14.44 N ATOM 301 CA ASP A 105 -13.688 7.710 -0.934 1.00 72.54 C ATOM 302 C ASP A 105 -14.808 8.041 -1.915 1.00 54.13 C ATOM 303 O ASP A 105 -15.202 9.198 -2.055 1.00 73.52 O ATOM 304 CB ASP A 105 -12.577 8.755 -1.037 1.00 70.13 C ATOM 305 CG ASP A 105 -12.866 9.991 -0.210 1.00 31.35 C ATOM 306 OD1 ASP A 105 -12.962 9.865 1.030 1.00 11.31 O ATOM 307 OD2 ASP A 105 -12.996 11.084 -0.799 1.00 74.52 O ATOM 0 H ASP A 105 -13.310 5.709 -0.429 1.00 14.44 H new ATOM 0 HA ASP A 105 -14.097 7.726 0.076 1.00 72.54 H new ATOM 0 HB2 ASP A 105 -11.636 8.314 -0.709 1.00 70.13 H new ATOM 0 HB3 ASP A 105 -12.448 9.042 -2.081 1.00 70.13 H new ATOM 312 N GLY A 106 -15.316 7.016 -2.594 1.00 42.30 N ATOM 313 CA GLY A 106 -16.385 7.220 -3.555 1.00 62.11 C ATOM 314 C GLY A 106 -15.864 7.531 -4.945 1.00 3.34 C ATOM 315 O GLY A 106 -16.642 7.742 -5.873 1.00 33.11 O ATOM 0 H GLY A 106 -15.007 6.049 -2.496 1.00 42.30 H new ATOM 0 HA2 GLY A 106 -17.008 6.327 -3.595 1.00 62.11 H new ATOM 0 HA3 GLY A 106 -17.022 8.038 -3.218 1.00 62.11 H new ATOM 319 N GLU A 107 -14.542 7.562 -5.086 1.00 60.31 N ATOM 320 CA GLU A 107 -13.919 7.853 -6.372 1.00 24.41 C ATOM 321 C GLU A 107 -12.703 6.960 -6.601 1.00 21.21 C ATOM 322 O GLU A 107 -12.284 6.222 -5.709 1.00 44.14 O ATOM 323 CB GLU A 107 -13.506 9.324 -6.443 1.00 33.31 C ATOM 324 CG GLU A 107 -12.568 9.747 -5.324 1.00 53.02 C ATOM 325 CD GLU A 107 -12.962 11.075 -4.706 1.00 0.03 C ATOM 326 OE1 GLU A 107 -13.851 11.082 -3.829 1.00 51.34 O ATOM 327 OE2 GLU A 107 -12.378 12.107 -5.098 1.00 41.21 O ATOM 0 H GLU A 107 -13.883 7.389 -4.327 1.00 60.31 H new ATOM 0 HA GLU A 107 -14.650 7.651 -7.155 1.00 24.41 H new ATOM 0 HB2 GLU A 107 -13.022 9.511 -7.402 1.00 33.31 H new ATOM 0 HB3 GLU A 107 -14.401 9.946 -6.411 1.00 33.31 H new ATOM 0 HG2 GLU A 107 -12.560 8.978 -4.551 1.00 53.02 H new ATOM 0 HG3 GLU A 107 -11.552 9.818 -5.713 1.00 53.02 H new ATOM 334 N ASP A 108 -12.141 7.033 -7.803 1.00 71.31 N ATOM 335 CA ASP A 108 -10.972 6.233 -8.150 1.00 62.21 C ATOM 336 C ASP A 108 -9.746 6.695 -7.371 1.00 25.43 C ATOM 337 O ASP A 108 -8.996 7.560 -7.827 1.00 12.12 O ATOM 338 CB ASP A 108 -10.699 6.316 -9.653 1.00 31.14 C ATOM 339 CG ASP A 108 -11.758 5.609 -10.475 1.00 34.53 C ATOM 340 OD1 ASP A 108 -11.835 4.365 -10.398 1.00 15.25 O ATOM 341 OD2 ASP A 108 -12.509 6.299 -11.195 1.00 53.51 O ATOM 0 H ASP A 108 -12.476 7.638 -8.553 1.00 71.31 H new ATOM 0 HA ASP A 108 -11.179 5.197 -7.883 1.00 62.21 H new ATOM 0 HB2 ASP A 108 -10.650 7.363 -9.953 1.00 31.14 H new ATOM 0 HB3 ASP A 108 -9.725 5.877 -9.867 1.00 31.14 H new ATOM 346 N LEU A 109 -9.546 6.115 -6.192 1.00 74.24 N ATOM 347 CA LEU A 109 -8.410 6.467 -5.348 1.00 35.01 C ATOM 348 C LEU A 109 -7.122 5.852 -5.883 1.00 22.21 C ATOM 349 O LEU A 109 -7.030 4.636 -6.061 1.00 51.33 O ATOM 350 CB LEU A 109 -8.653 6.002 -3.911 1.00 53.11 C ATOM 351 CG LEU A 109 -7.912 6.774 -2.821 1.00 1.43 C ATOM 352 CD1 LEU A 109 -8.864 7.700 -2.080 1.00 0.23 C ATOM 353 CD2 LEU A 109 -7.236 5.814 -1.851 1.00 15.31 C ATOM 0 H LEU A 109 -10.157 5.398 -5.799 1.00 74.24 H new ATOM 0 HA LEU A 109 -8.304 7.552 -5.359 1.00 35.01 H new ATOM 0 HB2 LEU A 109 -9.722 6.061 -3.707 1.00 53.11 H new ATOM 0 HB3 LEU A 109 -8.373 4.951 -3.838 1.00 53.11 H new ATOM 0 HG LEU A 109 -7.142 7.382 -3.295 1.00 1.43 H new ATOM 0 HD11 LEU A 109 -8.318 8.241 -1.308 1.00 0.23 H new ATOM 0 HD12 LEU A 109 -9.300 8.411 -2.782 1.00 0.23 H new ATOM 0 HD13 LEU A 109 -9.658 7.112 -1.619 1.00 0.23 H new ATOM 0 HD21 LEU A 109 -6.713 6.382 -1.082 1.00 15.31 H new ATOM 0 HD22 LEU A 109 -7.989 5.178 -1.384 1.00 15.31 H new ATOM 0 HD23 LEU A 109 -6.522 5.193 -2.392 1.00 15.31 H new ATOM 365 N ARG A 110 -6.128 6.697 -6.135 1.00 4.20 N ATOM 366 CA ARG A 110 -4.843 6.236 -6.648 1.00 62.35 C ATOM 367 C ARG A 110 -3.787 6.235 -5.547 1.00 64.43 C ATOM 368 O ARG A 110 -3.418 7.286 -5.025 1.00 54.22 O ATOM 369 CB ARG A 110 -4.386 7.121 -7.809 1.00 0.01 C ATOM 370 CG ARG A 110 -3.140 6.609 -8.511 1.00 64.54 C ATOM 371 CD ARG A 110 -3.187 6.888 -10.006 1.00 34.21 C ATOM 372 NE ARG A 110 -2.027 7.651 -10.458 1.00 14.15 N ATOM 373 CZ ARG A 110 -0.830 7.116 -10.661 1.00 63.20 C ATOM 374 NH1 ARG A 110 -0.635 5.821 -10.456 1.00 71.52 N ATOM 375 NH2 ARG A 110 0.177 7.876 -11.073 1.00 42.21 N ATOM 0 H ARG A 110 -6.188 7.705 -5.992 1.00 4.20 H new ATOM 0 HA ARG A 110 -4.969 5.215 -7.007 1.00 62.35 H new ATOM 0 HB2 ARG A 110 -5.195 7.200 -8.535 1.00 0.01 H new ATOM 0 HB3 ARG A 110 -4.194 8.127 -7.435 1.00 0.01 H new ATOM 0 HG2 ARG A 110 -2.258 7.082 -8.079 1.00 64.54 H new ATOM 0 HG3 ARG A 110 -3.041 5.537 -8.343 1.00 64.54 H new ATOM 0 HD2 ARG A 110 -3.234 5.944 -10.549 1.00 34.21 H new ATOM 0 HD3 ARG A 110 -4.097 7.438 -10.243 1.00 34.21 H new ATOM 0 HE ARG A 110 -2.143 8.650 -10.627 1.00 14.15 H new ATOM 0 HH11 ARG A 110 -1.406 5.233 -10.141 1.00 71.52 H new ATOM 0 HH12 ARG A 110 0.287 5.413 -10.613 1.00 71.52 H new ATOM 0 HH21 ARG A 110 0.031 8.873 -11.234 1.00 42.21 H new ATOM 0 HH22 ARG A 110 1.097 7.463 -11.229 1.00 42.21 H new ATOM 389 N VAL A 111 -3.302 5.046 -5.200 1.00 3.22 N ATOM 390 CA VAL A 111 -2.287 4.908 -4.163 1.00 33.35 C ATOM 391 C VAL A 111 -0.910 4.666 -4.769 1.00 41.25 C ATOM 392 O VAL A 111 -0.767 3.912 -5.732 1.00 73.22 O ATOM 393 CB VAL A 111 -2.622 3.753 -3.201 1.00 22.54 C ATOM 394 CG1 VAL A 111 -2.288 4.138 -1.767 1.00 11.41 C ATOM 395 CG2 VAL A 111 -4.086 3.360 -3.328 1.00 11.42 C ATOM 0 H VAL A 111 -3.596 4.165 -5.622 1.00 3.22 H new ATOM 0 HA VAL A 111 -2.275 5.845 -3.606 1.00 33.35 H new ATOM 0 HB VAL A 111 -2.013 2.890 -3.472 1.00 22.54 H new ATOM 0 HG11 VAL A 111 -2.531 3.310 -1.102 1.00 11.41 H new ATOM 0 HG12 VAL A 111 -1.225 4.365 -1.690 1.00 11.41 H new ATOM 0 HG13 VAL A 111 -2.868 5.015 -1.481 1.00 11.41 H new ATOM 0 HG21 VAL A 111 -4.304 2.543 -2.641 1.00 11.42 H new ATOM 0 HG22 VAL A 111 -4.715 4.216 -3.085 1.00 11.42 H new ATOM 0 HG23 VAL A 111 -4.289 3.039 -4.350 1.00 11.42 H new ATOM 405 N VAL A 112 0.104 5.310 -4.200 1.00 11.51 N ATOM 406 CA VAL A 112 1.471 5.165 -4.683 1.00 42.03 C ATOM 407 C VAL A 112 2.448 4.990 -3.526 1.00 51.14 C ATOM 408 O VAL A 112 2.473 5.795 -2.594 1.00 10.34 O ATOM 409 CB VAL A 112 1.902 6.381 -5.525 1.00 72.41 C ATOM 410 CG1 VAL A 112 3.344 6.229 -5.983 1.00 0.34 C ATOM 411 CG2 VAL A 112 0.972 6.560 -6.716 1.00 12.14 C ATOM 0 H VAL A 112 0.004 5.938 -3.403 1.00 11.51 H new ATOM 0 HA VAL A 112 1.491 4.273 -5.310 1.00 42.03 H new ATOM 0 HB VAL A 112 1.836 7.274 -4.903 1.00 72.41 H new ATOM 0 HG11 VAL A 112 3.631 7.097 -6.576 1.00 0.34 H new ATOM 0 HG12 VAL A 112 3.996 6.153 -5.113 1.00 0.34 H new ATOM 0 HG13 VAL A 112 3.440 5.328 -6.589 1.00 0.34 H new ATOM 0 HG21 VAL A 112 1.291 7.423 -7.300 1.00 12.14 H new ATOM 0 HG22 VAL A 112 1.005 5.667 -7.341 1.00 12.14 H new ATOM 0 HG23 VAL A 112 -0.047 6.718 -6.362 1.00 12.14 H new ATOM 421 N LEU A 113 3.252 3.934 -3.591 1.00 54.14 N ATOM 422 CA LEU A 113 4.232 3.653 -2.549 1.00 31.13 C ATOM 423 C LEU A 113 5.651 3.874 -3.061 1.00 72.23 C ATOM 424 O LEU A 113 6.210 3.023 -3.751 1.00 64.15 O ATOM 425 CB LEU A 113 4.076 2.216 -2.048 1.00 21.02 C ATOM 426 CG LEU A 113 5.159 1.718 -1.090 1.00 52.12 C ATOM 427 CD1 LEU A 113 5.504 2.792 -0.070 1.00 62.43 C ATOM 428 CD2 LEU A 113 4.708 0.442 -0.394 1.00 42.41 C ATOM 0 H LEU A 113 3.244 3.258 -4.355 1.00 54.14 H new ATOM 0 HA LEU A 113 4.053 4.341 -1.722 1.00 31.13 H new ATOM 0 HB2 LEU A 113 3.110 2.129 -1.550 1.00 21.02 H new ATOM 0 HB3 LEU A 113 4.050 1.552 -2.912 1.00 21.02 H new ATOM 0 HG LEU A 113 6.056 1.495 -1.668 1.00 52.12 H new ATOM 0 HD11 LEU A 113 6.276 2.420 0.603 1.00 62.43 H new ATOM 0 HD12 LEU A 113 5.870 3.680 -0.586 1.00 62.43 H new ATOM 0 HD13 LEU A 113 4.614 3.047 0.505 1.00 62.43 H new ATOM 0 HD21 LEU A 113 5.491 0.101 0.284 1.00 42.41 H new ATOM 0 HD22 LEU A 113 3.798 0.639 0.172 1.00 42.41 H new ATOM 0 HD23 LEU A 113 4.512 -0.329 -1.139 1.00 42.41 H new ATOM 440 N GLU A 114 6.227 5.022 -2.718 1.00 2.02 N ATOM 441 CA GLU A 114 7.582 5.352 -3.144 1.00 0.21 C ATOM 442 C GLU A 114 8.614 4.606 -2.304 1.00 25.14 C ATOM 443 O GLU A 114 8.495 4.524 -1.081 1.00 32.12 O ATOM 444 CB GLU A 114 7.819 6.861 -3.040 1.00 3.03 C ATOM 445 CG GLU A 114 8.184 7.512 -4.363 1.00 43.31 C ATOM 446 CD GLU A 114 7.202 8.591 -4.773 1.00 12.11 C ATOM 447 OE1 GLU A 114 6.676 9.287 -3.878 1.00 62.55 O ATOM 448 OE2 GLU A 114 6.959 8.742 -5.989 1.00 22.42 O ATOM 0 H GLU A 114 5.777 5.738 -2.147 1.00 2.02 H new ATOM 0 HA GLU A 114 7.694 5.044 -4.183 1.00 0.21 H new ATOM 0 HB2 GLU A 114 6.920 7.335 -2.647 1.00 3.03 H new ATOM 0 HB3 GLU A 114 8.617 7.046 -2.321 1.00 3.03 H new ATOM 0 HG2 GLU A 114 9.182 7.944 -4.288 1.00 43.31 H new ATOM 0 HG3 GLU A 114 8.225 6.749 -5.140 1.00 43.31 H new ATOM 455 N LYS A 115 9.628 4.061 -2.969 1.00 61.12 N ATOM 456 CA LYS A 115 10.682 3.320 -2.286 1.00 15.35 C ATOM 457 C LYS A 115 11.605 4.267 -1.524 1.00 62.40 C ATOM 458 O LYS A 115 12.349 3.844 -0.639 1.00 35.31 O ATOM 459 CB LYS A 115 11.493 2.501 -3.293 1.00 15.31 C ATOM 460 CG LYS A 115 10.944 1.104 -3.521 1.00 33.40 C ATOM 461 CD LYS A 115 11.994 0.040 -3.245 1.00 15.01 C ATOM 462 CE LYS A 115 13.021 -0.031 -4.363 1.00 23.13 C ATOM 463 NZ LYS A 115 14.088 -1.030 -4.073 1.00 35.01 N ATOM 0 H LYS A 115 9.742 4.119 -3.981 1.00 61.12 H new ATOM 0 HA LYS A 115 10.213 2.644 -1.572 1.00 15.35 H new ATOM 0 HB2 LYS A 115 11.519 3.032 -4.244 1.00 15.31 H new ATOM 0 HB3 LYS A 115 12.522 2.425 -2.942 1.00 15.31 H new ATOM 0 HG2 LYS A 115 10.081 0.941 -2.875 1.00 33.40 H new ATOM 0 HG3 LYS A 115 10.594 1.013 -4.549 1.00 33.40 H new ATOM 0 HD2 LYS A 115 12.495 0.258 -2.302 1.00 15.01 H new ATOM 0 HD3 LYS A 115 11.510 -0.930 -3.132 1.00 15.01 H new ATOM 0 HE2 LYS A 115 12.524 -0.292 -5.297 1.00 23.13 H new ATOM 0 HE3 LYS A 115 13.472 0.951 -4.505 1.00 23.13 H new ATOM 0 HZ1 LYS A 115 14.769 -1.049 -4.859 1.00 35.01 H new ATOM 0 HZ2 LYS A 115 14.580 -0.768 -3.195 1.00 35.01 H new ATOM 0 HZ3 LYS A 115 13.661 -1.972 -3.963 1.00 35.01 H new ATOM 477 N ASP A 116 11.551 5.547 -1.874 1.00 13.22 N ATOM 478 CA ASP A 116 12.381 6.553 -1.221 1.00 41.00 C ATOM 479 C ASP A 116 12.242 6.471 0.296 1.00 34.13 C ATOM 480 O ASP A 116 13.233 6.338 1.015 1.00 34.41 O ATOM 481 CB ASP A 116 11.999 7.952 -1.706 1.00 3.43 C ATOM 482 CG ASP A 116 13.196 8.739 -2.206 1.00 74.14 C ATOM 483 OD1 ASP A 116 13.856 8.273 -3.158 1.00 72.34 O ATOM 484 OD2 ASP A 116 13.470 9.819 -1.646 1.00 0.34 O ATOM 0 H ASP A 116 10.942 5.913 -2.606 1.00 13.22 H new ATOM 0 HA ASP A 116 13.421 6.357 -1.483 1.00 41.00 H new ATOM 0 HB2 ASP A 116 11.263 7.868 -2.506 1.00 3.43 H new ATOM 0 HB3 ASP A 116 11.523 8.498 -0.892 1.00 3.43 H new ATOM 489 N THR A 117 11.005 6.553 0.777 1.00 12.14 N ATOM 490 CA THR A 117 10.736 6.491 2.209 1.00 62.11 C ATOM 491 C THR A 117 9.600 5.521 2.513 1.00 3.53 C ATOM 492 O THR A 117 9.020 5.552 3.598 1.00 42.02 O ATOM 493 CB THR A 117 10.377 7.879 2.773 1.00 23.13 C ATOM 494 OG1 THR A 117 9.427 8.525 1.920 1.00 40.25 O ATOM 495 CG2 THR A 117 11.620 8.747 2.907 1.00 50.03 C ATOM 0 H THR A 117 10.174 6.662 0.196 1.00 12.14 H new ATOM 0 HA THR A 117 11.649 6.138 2.688 1.00 62.11 H new ATOM 0 HB THR A 117 9.940 7.742 3.762 1.00 23.13 H new ATOM 0 HG1 THR A 117 8.798 7.861 1.569 1.00 40.25 H new ATOM 0 HG21 THR A 117 11.342 9.722 3.307 1.00 50.03 H new ATOM 0 HG22 THR A 117 12.328 8.267 3.582 1.00 50.03 H new ATOM 0 HG23 THR A 117 12.082 8.875 1.928 1.00 50.03 H new ATOM 503 N MET A 118 9.288 4.662 1.548 1.00 15.21 N ATOM 504 CA MET A 118 8.221 3.682 1.715 1.00 74.21 C ATOM 505 C MET A 118 6.933 4.354 2.181 1.00 55.13 C ATOM 506 O MET A 118 6.133 3.753 2.898 1.00 52.44 O ATOM 507 CB MET A 118 8.640 2.606 2.719 1.00 52.22 C ATOM 508 CG MET A 118 9.541 1.537 2.122 1.00 21.15 C ATOM 509 SD MET A 118 10.064 0.312 3.338 1.00 14.44 S ATOM 510 CE MET A 118 8.579 -0.680 3.478 1.00 32.20 C ATOM 0 H MET A 118 9.758 4.625 0.644 1.00 15.21 H new ATOM 0 HA MET A 118 8.037 3.215 0.748 1.00 74.21 H new ATOM 0 HB2 MET A 118 9.156 3.080 3.554 1.00 52.22 H new ATOM 0 HB3 MET A 118 7.747 2.132 3.125 1.00 52.22 H new ATOM 0 HG2 MET A 118 9.015 1.036 1.310 1.00 21.15 H new ATOM 0 HG3 MET A 118 10.421 2.010 1.687 1.00 21.15 H new ATOM 0 HE1 MET A 118 8.846 -1.737 3.477 1.00 32.20 H new ATOM 0 HE2 MET A 118 8.065 -0.437 4.408 1.00 32.20 H new ATOM 0 HE3 MET A 118 7.921 -0.471 2.634 1.00 32.20 H new ATOM 520 N ASP A 119 6.739 5.602 1.768 1.00 4.42 N ATOM 521 CA ASP A 119 5.548 6.355 2.142 1.00 60.41 C ATOM 522 C ASP A 119 4.405 6.082 1.170 1.00 31.31 C ATOM 523 O ASP A 119 4.632 5.745 0.007 1.00 31.33 O ATOM 524 CB ASP A 119 5.856 7.852 2.179 1.00 0.14 C ATOM 525 CG ASP A 119 6.106 8.427 0.798 1.00 71.30 C ATOM 526 OD1 ASP A 119 7.130 8.066 0.182 1.00 62.13 O ATOM 527 OD2 ASP A 119 5.276 9.236 0.334 1.00 3.33 O ATOM 0 H ASP A 119 7.392 6.113 1.174 1.00 4.42 H new ATOM 0 HA ASP A 119 5.241 6.031 3.136 1.00 60.41 H new ATOM 0 HB2 ASP A 119 5.023 8.380 2.644 1.00 0.14 H new ATOM 0 HB3 ASP A 119 6.732 8.024 2.805 1.00 0.14 H new ATOM 532 N VAL A 120 3.175 6.229 1.653 1.00 4.24 N ATOM 533 CA VAL A 120 1.997 5.999 0.827 1.00 31.22 C ATOM 534 C VAL A 120 1.345 7.315 0.419 1.00 11.14 C ATOM 535 O VAL A 120 0.975 8.126 1.269 1.00 42.11 O ATOM 536 CB VAL A 120 0.957 5.131 1.562 1.00 64.05 C ATOM 537 CG1 VAL A 120 -0.282 4.939 0.701 1.00 64.11 C ATOM 538 CG2 VAL A 120 1.562 3.789 1.946 1.00 22.10 C ATOM 0 H VAL A 120 2.969 6.506 2.613 1.00 4.24 H new ATOM 0 HA VAL A 120 2.335 5.472 -0.065 1.00 31.22 H new ATOM 0 HB VAL A 120 0.659 5.645 2.476 1.00 64.05 H new ATOM 0 HG11 VAL A 120 -1.005 4.324 1.236 1.00 64.11 H new ATOM 0 HG12 VAL A 120 -0.725 5.910 0.479 1.00 64.11 H new ATOM 0 HG13 VAL A 120 -0.005 4.446 -0.231 1.00 64.11 H new ATOM 0 HG21 VAL A 120 0.815 3.188 2.464 1.00 22.10 H new ATOM 0 HG22 VAL A 120 1.888 3.266 1.047 1.00 22.10 H new ATOM 0 HG23 VAL A 120 2.417 3.950 2.603 1.00 22.10 H new ATOM 548 N TRP A 121 1.207 7.522 -0.885 1.00 64.43 N ATOM 549 CA TRP A 121 0.599 8.741 -1.406 1.00 23.52 C ATOM 550 C TRP A 121 -0.816 8.472 -1.908 1.00 22.13 C ATOM 551 O TRP A 121 -1.051 7.517 -2.647 1.00 62.44 O ATOM 552 CB TRP A 121 1.453 9.318 -2.536 1.00 0.33 C ATOM 553 CG TRP A 121 1.368 10.811 -2.641 1.00 3.20 C ATOM 554 CD1 TRP A 121 0.643 11.649 -1.844 1.00 30.31 C ATOM 555 CD2 TRP A 121 2.031 11.641 -3.601 1.00 13.30 C ATOM 556 NE1 TRP A 121 0.815 12.950 -2.249 1.00 41.32 N ATOM 557 CE2 TRP A 121 1.663 12.973 -3.325 1.00 32.02 C ATOM 558 CE3 TRP A 121 2.902 11.391 -4.665 1.00 33.11 C ATOM 559 CZ2 TRP A 121 2.134 14.047 -4.075 1.00 24.30 C ATOM 560 CZ3 TRP A 121 3.369 12.457 -5.409 1.00 32.42 C ATOM 561 CH2 TRP A 121 2.985 13.771 -5.111 1.00 50.42 C ATOM 0 H TRP A 121 1.508 6.861 -1.602 1.00 64.43 H new ATOM 0 HA TRP A 121 0.545 9.466 -0.594 1.00 23.52 H new ATOM 0 HB2 TRP A 121 2.493 9.030 -2.379 1.00 0.33 H new ATOM 0 HB3 TRP A 121 1.139 8.876 -3.481 1.00 0.33 H new ATOM 0 HD1 TRP A 121 0.025 11.335 -1.016 1.00 30.31 H new ATOM 0 HE1 TRP A 121 0.382 13.767 -1.818 1.00 41.32 H new ATOM 0 HE3 TRP A 121 3.205 10.382 -4.901 1.00 33.11 H new ATOM 0 HZ2 TRP A 121 1.839 15.061 -3.848 1.00 24.30 H new ATOM 0 HZ3 TRP A 121 4.041 12.275 -6.234 1.00 32.42 H new ATOM 0 HH2 TRP A 121 3.368 14.583 -5.711 1.00 50.42 H new ATOM 572 N CYS A 122 -1.754 9.320 -1.500 1.00 41.22 N ATOM 573 CA CYS A 122 -3.146 9.174 -1.909 1.00 21.12 C ATOM 574 C CYS A 122 -3.675 10.470 -2.513 1.00 41.42 C ATOM 575 O CYS A 122 -3.984 11.420 -1.795 1.00 35.22 O ATOM 576 CB CYS A 122 -4.009 8.764 -0.714 1.00 44.42 C ATOM 577 SG CYS A 122 -5.785 8.775 -1.049 1.00 73.34 S ATOM 0 H CYS A 122 -1.576 10.115 -0.887 1.00 41.22 H new ATOM 0 HA CYS A 122 -3.196 8.394 -2.669 1.00 21.12 H new ATOM 0 HB2 CYS A 122 -3.717 7.764 -0.394 1.00 44.42 H new ATOM 0 HB3 CYS A 122 -3.803 9.438 0.118 1.00 44.42 H new ATOM 0 HG CYS A 122 -6.120 9.915 -1.575 1.00 73.34 H new ATOM 583 N ASN A 123 -3.775 10.502 -3.838 1.00 20.33 N ATOM 584 CA ASN A 123 -4.264 11.683 -4.540 1.00 13.31 C ATOM 585 C ASN A 123 -3.617 12.950 -3.989 1.00 2.50 C ATOM 586 O ASN A 123 -4.270 13.759 -3.333 1.00 12.34 O ATOM 587 CB ASN A 123 -5.786 11.780 -4.417 1.00 53.33 C ATOM 588 CG ASN A 123 -6.504 11.101 -5.568 1.00 24.31 C ATOM 589 OD1 ASN A 123 -6.312 11.456 -6.730 1.00 43.24 O ATOM 590 ND2 ASN A 123 -7.335 10.116 -5.247 1.00 40.31 N ATOM 0 H ASN A 123 -3.524 9.723 -4.447 1.00 20.33 H new ATOM 0 HA ASN A 123 -3.996 11.587 -5.592 1.00 13.31 H new ATOM 0 HB2 ASN A 123 -6.101 11.326 -3.477 1.00 53.33 H new ATOM 0 HB3 ASN A 123 -6.078 12.829 -4.378 1.00 53.33 H new ATOM 0 HD21 ASN A 123 -7.845 9.620 -5.978 1.00 40.31 H new ATOM 0 HD22 ASN A 123 -7.463 9.855 -4.269 1.00 40.31 H new ATOM 597 N GLY A 124 -2.326 13.116 -4.262 1.00 61.24 N ATOM 598 CA GLY A 124 -1.611 14.286 -3.787 1.00 50.03 C ATOM 599 C GLY A 124 -1.845 14.550 -2.314 1.00 12.22 C ATOM 600 O GLY A 124 -1.977 15.700 -1.896 1.00 12.10 O ATOM 0 H GLY A 124 -1.763 12.461 -4.804 1.00 61.24 H new ATOM 0 HA2 GLY A 124 -0.544 14.152 -3.964 1.00 50.03 H new ATOM 0 HA3 GLY A 124 -1.923 15.157 -4.363 1.00 50.03 H new ATOM 604 N GLN A 125 -1.899 13.482 -1.524 1.00 65.24 N ATOM 605 CA GLN A 125 -2.121 13.605 -0.088 1.00 61.23 C ATOM 606 C GLN A 125 -1.309 12.565 0.679 1.00 42.11 C ATOM 607 O GLN A 125 -1.627 11.376 0.661 1.00 72.04 O ATOM 608 CB GLN A 125 -3.607 13.447 0.235 1.00 52.31 C ATOM 609 CG GLN A 125 -4.164 14.565 1.101 1.00 44.42 C ATOM 610 CD GLN A 125 -5.387 15.222 0.492 1.00 31.04 C ATOM 611 OE1 GLN A 125 -5.439 15.466 -0.714 1.00 34.33 O ATOM 612 NE2 GLN A 125 -6.380 15.510 1.325 1.00 11.53 N ATOM 0 H GLN A 125 -1.792 12.523 -1.854 1.00 65.24 H new ATOM 0 HA GLN A 125 -1.793 14.597 0.221 1.00 61.23 H new ATOM 0 HB2 GLN A 125 -4.170 13.406 -0.697 1.00 52.31 H new ATOM 0 HB3 GLN A 125 -3.761 12.495 0.743 1.00 52.31 H new ATOM 0 HG2 GLN A 125 -4.422 14.165 2.082 1.00 44.42 H new ATOM 0 HG3 GLN A 125 -3.391 15.318 1.256 1.00 44.42 H new ATOM 0 HE21 GLN A 125 -6.293 15.290 2.317 1.00 11.53 H new ATOM 0 HE22 GLN A 125 -7.229 15.951 0.973 1.00 11.53 H new ATOM 621 N LYS A 126 -0.259 13.022 1.353 1.00 61.12 N ATOM 622 CA LYS A 126 0.599 12.134 2.128 1.00 64.25 C ATOM 623 C LYS A 126 -0.223 11.301 3.107 1.00 1.44 C ATOM 624 O LYS A 126 -1.201 11.783 3.676 1.00 31.23 O ATOM 625 CB LYS A 126 1.652 12.943 2.888 1.00 35.43 C ATOM 626 CG LYS A 126 3.071 12.441 2.683 1.00 55.35 C ATOM 627 CD LYS A 126 3.955 12.765 3.875 1.00 73.52 C ATOM 628 CE LYS A 126 5.230 13.474 3.447 1.00 41.11 C ATOM 629 NZ LYS A 126 4.992 14.916 3.158 1.00 72.11 N ATOM 0 H LYS A 126 0.018 14.003 1.378 1.00 61.12 H new ATOM 0 HA LYS A 126 1.100 11.458 1.435 1.00 64.25 H new ATOM 0 HB2 LYS A 126 1.595 13.985 2.572 1.00 35.43 H new ATOM 0 HB3 LYS A 126 1.418 12.919 3.952 1.00 35.43 H new ATOM 0 HG2 LYS A 126 3.057 11.363 2.522 1.00 55.35 H new ATOM 0 HG3 LYS A 126 3.491 12.892 1.784 1.00 55.35 H new ATOM 0 HD2 LYS A 126 3.406 13.393 4.576 1.00 73.52 H new ATOM 0 HD3 LYS A 126 4.208 11.845 4.402 1.00 73.52 H new ATOM 0 HE2 LYS A 126 5.979 13.380 4.233 1.00 41.11 H new ATOM 0 HE3 LYS A 126 5.636 12.988 2.560 1.00 41.11 H new ATOM 0 HZ1 LYS A 126 5.885 15.364 2.870 1.00 72.11 H new ATOM 0 HZ2 LYS A 126 4.296 15.006 2.391 1.00 72.11 H new ATOM 0 HZ3 LYS A 126 4.629 15.386 4.012 1.00 72.11 H new ATOM 643 N MET A 127 0.182 10.050 3.298 1.00 4.22 N ATOM 644 CA MET A 127 -0.516 9.152 4.211 1.00 14.22 C ATOM 645 C MET A 127 0.342 8.847 5.435 1.00 32.11 C ATOM 646 O MET A 127 1.548 9.084 5.433 1.00 44.03 O ATOM 647 CB MET A 127 -0.887 7.851 3.497 1.00 51.33 C ATOM 648 CG MET A 127 -1.742 8.060 2.257 1.00 52.40 C ATOM 649 SD MET A 127 -3.507 7.926 2.600 1.00 12.41 S ATOM 650 CE MET A 127 -3.613 6.231 3.171 1.00 51.41 C ATOM 0 H MET A 127 0.989 9.635 2.833 1.00 4.22 H new ATOM 0 HA MET A 127 -1.428 9.648 4.543 1.00 14.22 H new ATOM 0 HB2 MET A 127 0.027 7.328 3.214 1.00 51.33 H new ATOM 0 HB3 MET A 127 -1.422 7.204 4.192 1.00 51.33 H new ATOM 0 HG2 MET A 127 -1.531 9.043 1.837 1.00 52.40 H new ATOM 0 HG3 MET A 127 -1.466 7.324 1.502 1.00 52.40 H new ATOM 0 HE1 MET A 127 -4.296 5.673 2.530 1.00 51.41 H new ATOM 0 HE2 MET A 127 -2.625 5.772 3.134 1.00 51.41 H new ATOM 0 HE3 MET A 127 -3.983 6.215 4.196 1.00 51.41 H new ATOM 660 N GLU A 128 -0.291 8.321 6.478 1.00 21.54 N ATOM 661 CA GLU A 128 0.415 7.985 7.710 1.00 62.45 C ATOM 662 C GLU A 128 0.336 6.486 7.991 1.00 13.41 C ATOM 663 O GLU A 128 -0.718 5.967 8.362 1.00 43.30 O ATOM 664 CB GLU A 128 -0.167 8.768 8.888 1.00 63.13 C ATOM 665 CG GLU A 128 0.579 10.057 9.190 1.00 75.14 C ATOM 666 CD GLU A 128 0.168 10.672 10.513 1.00 31.03 C ATOM 667 OE1 GLU A 128 0.562 10.129 11.567 1.00 13.21 O ATOM 668 OE2 GLU A 128 -0.548 11.695 10.496 1.00 32.43 O ATOM 0 H GLU A 128 -1.290 8.118 6.495 1.00 21.54 H new ATOM 0 HA GLU A 128 1.463 8.259 7.584 1.00 62.45 H new ATOM 0 HB2 GLU A 128 -1.210 9.003 8.677 1.00 63.13 H new ATOM 0 HB3 GLU A 128 -0.156 8.135 9.775 1.00 63.13 H new ATOM 0 HG2 GLU A 128 1.651 9.858 9.203 1.00 75.14 H new ATOM 0 HG3 GLU A 128 0.398 10.773 8.389 1.00 75.14 H new ATOM 675 N THR A 129 1.457 5.797 7.811 1.00 23.21 N ATOM 676 CA THR A 129 1.516 4.359 8.044 1.00 21.00 C ATOM 677 C THR A 129 2.024 4.049 9.447 1.00 32.31 C ATOM 678 O THR A 129 2.312 4.956 10.228 1.00 65.41 O ATOM 679 CB THR A 129 2.425 3.660 7.016 1.00 71.10 C ATOM 680 OG1 THR A 129 3.799 3.939 7.307 1.00 42.42 O ATOM 681 CG2 THR A 129 2.097 4.120 5.603 1.00 42.13 C ATOM 0 H THR A 129 2.337 6.211 7.504 1.00 23.21 H new ATOM 0 HA THR A 129 0.500 3.980 7.937 1.00 21.00 H new ATOM 0 HB THR A 129 2.251 2.586 7.081 1.00 71.10 H new ATOM 0 HG1 THR A 129 4.318 3.932 6.475 1.00 42.42 H new ATOM 0 HG21 THR A 129 2.752 3.613 4.894 1.00 42.13 H new ATOM 0 HG22 THR A 129 1.059 3.880 5.374 1.00 42.13 H new ATOM 0 HG23 THR A 129 2.245 5.197 5.527 1.00 42.13 H new ATOM 689 N ALA A 130 2.130 2.762 9.762 1.00 5.22 N ATOM 690 CA ALA A 130 2.607 2.334 11.072 1.00 61.45 C ATOM 691 C ALA A 130 4.114 2.106 11.060 1.00 23.40 C ATOM 692 O ALA A 130 4.789 2.302 12.070 1.00 71.25 O ATOM 693 CB ALA A 130 1.883 1.067 11.507 1.00 10.54 C ATOM 0 H ALA A 130 1.892 1.998 9.129 1.00 5.22 H new ATOM 0 HA ALA A 130 2.392 3.128 11.788 1.00 61.45 H new ATOM 0 HB1 ALA A 130 2.248 0.757 12.486 1.00 10.54 H new ATOM 0 HB2 ALA A 130 0.812 1.261 11.564 1.00 10.54 H new ATOM 0 HB3 ALA A 130 2.070 0.274 10.783 1.00 10.54 H new ATOM 699 N GLY A 131 4.637 1.689 9.911 1.00 54.21 N ATOM 700 CA GLY A 131 6.061 1.441 9.790 1.00 22.01 C ATOM 701 C GLY A 131 6.552 0.395 10.771 1.00 23.22 C ATOM 702 O GLY A 131 7.481 0.643 11.540 1.00 72.00 O ATOM 0 H GLY A 131 4.099 1.519 9.061 1.00 54.21 H new ATOM 0 HA2 GLY A 131 6.285 1.116 8.774 1.00 22.01 H new ATOM 0 HA3 GLY A 131 6.604 2.372 9.954 1.00 22.01 H new ATOM 706 N GLU A 132 5.928 -0.778 10.746 1.00 74.25 N ATOM 707 CA GLU A 132 6.306 -1.865 11.641 1.00 14.12 C ATOM 708 C GLU A 132 7.244 -2.844 10.944 1.00 70.25 C ATOM 709 O GLU A 132 6.814 -3.661 10.129 1.00 72.24 O ATOM 710 CB GLU A 132 5.060 -2.602 12.140 1.00 51.12 C ATOM 711 CG GLU A 132 5.127 -2.987 13.608 1.00 63.20 C ATOM 712 CD GLU A 132 4.585 -4.378 13.871 1.00 11.43 C ATOM 713 OE1 GLU A 132 3.434 -4.652 13.468 1.00 65.12 O ATOM 714 OE2 GLU A 132 5.309 -5.192 14.482 1.00 50.25 O ATOM 0 H GLU A 132 5.158 -1.000 10.115 1.00 74.25 H new ATOM 0 HA GLU A 132 6.830 -1.433 12.494 1.00 14.12 H new ATOM 0 HB2 GLU A 132 4.186 -1.971 11.978 1.00 51.12 H new ATOM 0 HB3 GLU A 132 4.918 -3.503 11.543 1.00 51.12 H new ATOM 0 HG2 GLU A 132 6.162 -2.934 13.947 1.00 63.20 H new ATOM 0 HG3 GLU A 132 4.562 -2.264 14.196 1.00 63.20 H new ATOM 781 N GLY A 137 10.007 -8.704 6.232 1.00 21.21 N ATOM 782 CA GLY A 137 8.924 -8.000 5.572 1.00 14.12 C ATOM 783 C GLY A 137 8.532 -6.729 6.297 1.00 33.01 C ATOM 784 O GLY A 137 9.049 -6.435 7.376 1.00 20.33 O ATOM 0 HA2 GLY A 137 9.222 -7.756 4.552 1.00 14.12 H new ATOM 0 HA3 GLY A 137 8.057 -8.657 5.502 1.00 14.12 H new ATOM 788 N THR A 138 7.617 -5.969 5.704 1.00 34.31 N ATOM 789 CA THR A 138 7.157 -4.720 6.299 1.00 0.34 C ATOM 790 C THR A 138 5.640 -4.599 6.223 1.00 71.12 C ATOM 791 O THR A 138 5.046 -4.801 5.164 1.00 13.33 O ATOM 792 CB THR A 138 7.794 -3.500 5.606 1.00 34.14 C ATOM 793 OG1 THR A 138 8.794 -3.932 4.677 1.00 15.11 O ATOM 794 CG2 THR A 138 8.416 -2.561 6.628 1.00 13.04 C ATOM 0 H THR A 138 7.179 -6.197 4.811 1.00 34.31 H new ATOM 0 HA THR A 138 7.464 -4.737 7.345 1.00 0.34 H new ATOM 0 HB THR A 138 7.010 -2.962 5.072 1.00 34.14 H new ATOM 0 HG1 THR A 138 9.621 -3.430 4.830 1.00 15.11 H new ATOM 0 HG21 THR A 138 8.859 -1.707 6.115 1.00 13.04 H new ATOM 0 HG22 THR A 138 7.647 -2.211 7.316 1.00 13.04 H new ATOM 0 HG23 THR A 138 9.188 -3.090 7.186 1.00 13.04 H new ATOM 802 N GLU A 139 5.018 -4.269 7.351 1.00 4.10 N ATOM 803 CA GLU A 139 3.569 -4.122 7.409 1.00 63.12 C ATOM 804 C GLU A 139 3.178 -2.658 7.586 1.00 11.13 C ATOM 805 O GLU A 139 3.178 -2.134 8.701 1.00 35.12 O ATOM 806 CB GLU A 139 2.995 -4.958 8.555 1.00 0.20 C ATOM 807 CG GLU A 139 3.597 -6.349 8.654 1.00 34.12 C ATOM 808 CD GLU A 139 3.020 -7.153 9.803 1.00 21.44 C ATOM 809 OE1 GLU A 139 3.563 -7.061 10.924 1.00 14.21 O ATOM 810 OE2 GLU A 139 2.026 -7.876 9.581 1.00 52.42 O ATOM 0 H GLU A 139 5.495 -4.099 8.236 1.00 4.10 H new ATOM 0 HA GLU A 139 3.155 -4.479 6.466 1.00 63.12 H new ATOM 0 HB2 GLU A 139 3.160 -4.432 9.495 1.00 0.20 H new ATOM 0 HB3 GLU A 139 1.916 -5.046 8.424 1.00 0.20 H new ATOM 0 HG2 GLU A 139 3.425 -6.883 7.719 1.00 34.12 H new ATOM 0 HG3 GLU A 139 4.677 -6.266 8.780 1.00 34.12 H new ATOM 817 N THR A 140 2.845 -2.002 6.479 1.00 32.11 N ATOM 818 CA THR A 140 2.453 -0.598 6.511 1.00 72.22 C ATOM 819 C THR A 140 0.967 -0.449 6.814 1.00 55.00 C ATOM 820 O THR A 140 0.117 -0.789 5.989 1.00 10.12 O ATOM 821 CB THR A 140 2.766 0.102 5.175 1.00 51.12 C ATOM 822 OG1 THR A 140 3.269 -0.848 4.229 1.00 23.34 O ATOM 823 CG2 THR A 140 3.782 1.216 5.374 1.00 23.01 C ATOM 0 H THR A 140 2.839 -2.420 5.549 1.00 32.11 H new ATOM 0 HA THR A 140 3.032 -0.126 7.305 1.00 72.22 H new ATOM 0 HB THR A 140 1.843 0.538 4.793 1.00 51.12 H new ATOM 0 HG1 THR A 140 2.579 -1.517 4.039 1.00 23.34 H new ATOM 0 HG21 THR A 140 3.988 1.696 4.417 1.00 23.01 H new ATOM 0 HG22 THR A 140 3.382 1.953 6.071 1.00 23.01 H new ATOM 0 HG23 THR A 140 4.705 0.799 5.776 1.00 23.01 H new ATOM 831 N HIS A 141 0.658 0.061 8.002 1.00 73.52 N ATOM 832 CA HIS A 141 -0.729 0.256 8.413 1.00 21.54 C ATOM 833 C HIS A 141 -1.103 1.735 8.377 1.00 25.40 C ATOM 834 O HIS A 141 -0.694 2.510 9.242 1.00 64.21 O ATOM 835 CB HIS A 141 -0.949 -0.304 9.819 1.00 54.24 C ATOM 836 CG HIS A 141 -0.491 -1.721 9.978 1.00 73.35 C ATOM 837 ND1 HIS A 141 -1.306 -2.807 9.737 1.00 63.41 N ATOM 838 CD2 HIS A 141 0.707 -2.227 10.354 1.00 72.11 C ATOM 839 CE1 HIS A 141 -0.631 -3.920 9.960 1.00 25.23 C ATOM 840 NE2 HIS A 141 0.594 -3.596 10.335 1.00 2.23 N ATOM 0 H HIS A 141 1.348 0.347 8.697 1.00 73.52 H new ATOM 0 HA HIS A 141 -1.369 -0.280 7.712 1.00 21.54 H new ATOM 0 HB2 HIS A 141 -0.421 0.323 10.537 1.00 54.24 H new ATOM 0 HB3 HIS A 141 -2.010 -0.244 10.063 1.00 54.24 H new ATOM 0 HD1 HIS A 141 -2.279 -2.758 9.434 1.00 63.41 H new ATOM 0 HD2 HIS A 141 1.587 -1.660 10.619 1.00 72.11 H new ATOM 0 HE1 HIS A 141 -1.015 -4.924 9.854 1.00 25.23 H new ATOM 848 N PHE A 142 -1.882 2.118 7.371 1.00 5.45 N ATOM 849 CA PHE A 142 -2.309 3.505 7.222 1.00 30.10 C ATOM 850 C PHE A 142 -3.831 3.603 7.190 1.00 51.54 C ATOM 851 O PHE A 142 -4.496 2.875 6.453 1.00 60.23 O ATOM 852 CB PHE A 142 -1.720 4.107 5.945 1.00 4.22 C ATOM 853 CG PHE A 142 -1.857 3.218 4.743 1.00 22.52 C ATOM 854 CD1 PHE A 142 -3.016 3.228 3.985 1.00 70.51 C ATOM 855 CD2 PHE A 142 -0.825 2.370 4.372 1.00 21.02 C ATOM 856 CE1 PHE A 142 -3.145 2.409 2.879 1.00 15.21 C ATOM 857 CE2 PHE A 142 -0.948 1.550 3.266 1.00 14.03 C ATOM 858 CZ PHE A 142 -2.110 1.569 2.519 1.00 34.31 C ATOM 0 H PHE A 142 -2.230 1.489 6.648 1.00 5.45 H new ATOM 0 HA PHE A 142 -1.944 4.067 8.082 1.00 30.10 H new ATOM 0 HB2 PHE A 142 -2.212 5.058 5.741 1.00 4.22 H new ATOM 0 HB3 PHE A 142 -0.664 4.323 6.108 1.00 4.22 H new ATOM 0 HD1 PHE A 142 -3.829 3.883 4.261 1.00 70.51 H new ATOM 0 HD2 PHE A 142 0.085 2.350 4.953 1.00 21.02 H new ATOM 0 HE1 PHE A 142 -4.055 2.426 2.297 1.00 15.21 H new ATOM 0 HE2 PHE A 142 -0.136 0.895 2.986 1.00 14.03 H new ATOM 0 HZ PHE A 142 -2.209 0.928 1.655 1.00 34.31 H new ATOM 868 N SER A 143 -4.378 4.511 7.993 1.00 4.04 N ATOM 869 CA SER A 143 -5.821 4.703 8.060 1.00 74.00 C ATOM 870 C SER A 143 -6.301 5.614 6.933 1.00 60.52 C ATOM 871 O SER A 143 -5.571 6.493 6.477 1.00 62.31 O ATOM 872 CB SER A 143 -6.216 5.296 9.414 1.00 2.10 C ATOM 873 OG SER A 143 -5.943 6.686 9.460 1.00 43.45 O ATOM 0 H SER A 143 -3.842 5.125 8.606 1.00 4.04 H new ATOM 0 HA SER A 143 -6.298 3.730 7.945 1.00 74.00 H new ATOM 0 HB2 SER A 143 -7.277 5.124 9.594 1.00 2.10 H new ATOM 0 HB3 SER A 143 -5.671 4.788 10.210 1.00 2.10 H new ATOM 0 HG SER A 143 -6.206 7.042 10.334 1.00 43.45 H new ATOM 879 N VAL A 144 -7.534 5.394 6.490 1.00 52.52 N ATOM 880 CA VAL A 144 -8.114 6.195 5.416 1.00 21.45 C ATOM 881 C VAL A 144 -9.585 6.494 5.688 1.00 44.22 C ATOM 882 O VAL A 144 -10.454 5.657 5.446 1.00 21.24 O ATOM 883 CB VAL A 144 -7.988 5.485 4.056 1.00 13.21 C ATOM 884 CG1 VAL A 144 -8.420 6.410 2.928 1.00 21.13 C ATOM 885 CG2 VAL A 144 -6.563 4.997 3.840 1.00 31.41 C ATOM 0 H VAL A 144 -8.151 4.669 6.857 1.00 52.52 H new ATOM 0 HA VAL A 144 -7.556 7.131 5.381 1.00 21.45 H new ATOM 0 HB VAL A 144 -8.649 4.618 4.056 1.00 13.21 H new ATOM 0 HG11 VAL A 144 -8.324 5.891 1.975 1.00 21.13 H new ATOM 0 HG12 VAL A 144 -9.459 6.705 3.077 1.00 21.13 H new ATOM 0 HG13 VAL A 144 -7.787 7.298 2.923 1.00 21.13 H new ATOM 0 HG21 VAL A 144 -6.492 4.497 2.874 1.00 31.41 H new ATOM 0 HG22 VAL A 144 -5.880 5.847 3.860 1.00 31.41 H new ATOM 0 HG23 VAL A 144 -6.294 4.297 4.631 1.00 31.41 H new ATOM 895 N GLY A 145 -9.856 7.695 6.190 1.00 61.50 N ATOM 896 CA GLY A 145 -11.222 8.084 6.485 1.00 41.43 C ATOM 897 C GLY A 145 -11.920 7.099 7.401 1.00 14.14 C ATOM 898 O GLY A 145 -11.525 6.926 8.554 1.00 1.10 O ATOM 0 H GLY A 145 -9.154 8.405 6.397 1.00 61.50 H new ATOM 0 HA2 GLY A 145 -11.224 9.070 6.949 1.00 41.43 H new ATOM 0 HA3 GLY A 145 -11.782 8.169 5.553 1.00 41.43 H new ATOM 902 N ASN A 146 -12.964 6.454 6.890 1.00 42.12 N ATOM 903 CA ASN A 146 -13.720 5.483 7.672 1.00 21.02 C ATOM 904 C ASN A 146 -13.409 4.059 7.219 1.00 12.04 C ATOM 905 O ASN A 146 -14.224 3.151 7.388 1.00 32.30 O ATOM 906 CB ASN A 146 -15.221 5.754 7.546 1.00 25.51 C ATOM 907 CG ASN A 146 -16.000 5.261 8.750 1.00 63.30 C ATOM 908 OD1 ASN A 146 -16.119 5.961 9.756 1.00 72.22 O ATOM 909 ND2 ASN A 146 -16.535 4.049 8.653 1.00 71.12 N ATOM 0 H ASN A 146 -13.305 6.586 5.938 1.00 42.12 H new ATOM 0 HA ASN A 146 -13.425 5.586 8.716 1.00 21.02 H new ATOM 0 HB2 ASN A 146 -15.385 6.825 7.424 1.00 25.51 H new ATOM 0 HB3 ASN A 146 -15.601 5.269 6.647 1.00 25.51 H new ATOM 0 HD21 ASN A 146 -17.070 3.664 9.432 1.00 71.12 H new ATOM 0 HD22 ASN A 146 -16.411 3.504 7.800 1.00 71.12 H new ATOM 916 N HIS A 147 -12.226 3.872 6.644 1.00 40.23 N ATOM 917 CA HIS A 147 -11.807 2.559 6.167 1.00 63.51 C ATOM 918 C HIS A 147 -10.544 2.097 6.889 1.00 60.02 C ATOM 919 O HIS A 147 -10.062 2.763 7.805 1.00 21.41 O ATOM 920 CB HIS A 147 -11.562 2.594 4.659 1.00 31.41 C ATOM 921 CG HIS A 147 -12.790 2.906 3.860 1.00 72.44 C ATOM 922 ND1 HIS A 147 -13.000 3.811 2.875 1.00 3.41 N flip ATOM 923 CD2 HIS A 147 -13.990 2.249 4.037 1.00 31.32 C flip ATOM 924 CE1 HIS A 147 -14.309 3.686 2.480 1.00 13.54 C flip ATOM 925 NE2 HIS A 147 -14.884 2.736 3.196 1.00 32.00 N flip ATOM 0 H HIS A 147 -11.540 4.613 6.497 1.00 40.23 H new ATOM 0 HA HIS A 147 -12.607 1.850 6.380 1.00 63.51 H new ATOM 0 HB2 HIS A 147 -10.797 3.339 4.441 1.00 31.41 H new ATOM 0 HB3 HIS A 147 -11.167 1.629 4.341 1.00 31.41 H new ATOM 0 HD2 HIS A 147 -14.170 1.460 4.752 1.00 31.32 H new ATOM 0 HE1 HIS A 147 -14.790 4.269 1.709 1.00 13.54 H new ATOM 0 HE2 HIS A 147 -15.854 2.431 3.113 1.00 32.00 H new ATOM 933 N ASP A 148 -10.015 0.952 6.470 1.00 2.53 N ATOM 934 CA ASP A 148 -8.808 0.401 7.076 1.00 13.23 C ATOM 935 C ASP A 148 -7.953 -0.312 6.033 1.00 32.21 C ATOM 936 O ASP A 148 -8.043 -1.530 5.872 1.00 3.33 O ATOM 937 CB ASP A 148 -9.173 -0.566 8.203 1.00 31.02 C ATOM 938 CG ASP A 148 -7.995 -0.877 9.104 1.00 61.00 C ATOM 939 OD1 ASP A 148 -7.131 -1.682 8.697 1.00 53.05 O ATOM 940 OD2 ASP A 148 -7.934 -0.314 10.217 1.00 32.41 O ATOM 0 H ASP A 148 -10.403 0.388 5.714 1.00 2.53 H new ATOM 0 HA ASP A 148 -8.230 1.227 7.490 1.00 13.23 H new ATOM 0 HB2 ASP A 148 -9.979 -0.137 8.799 1.00 31.02 H new ATOM 0 HB3 ASP A 148 -9.553 -1.493 7.773 1.00 31.02 H new ATOM 945 N CYS A 149 -7.128 0.453 5.328 1.00 23.43 N ATOM 946 CA CYS A 149 -6.257 -0.106 4.299 1.00 34.13 C ATOM 947 C CYS A 149 -4.841 -0.299 4.831 1.00 41.43 C ATOM 948 O CYS A 149 -4.480 0.243 5.876 1.00 74.15 O ATOM 949 CB CYS A 149 -6.236 0.804 3.071 1.00 43.12 C ATOM 950 SG CYS A 149 -7.861 1.435 2.591 1.00 71.23 S ATOM 0 H CYS A 149 -7.043 1.462 5.449 1.00 23.43 H new ATOM 0 HA CYS A 149 -6.652 -1.081 4.012 1.00 34.13 H new ATOM 0 HB2 CYS A 149 -5.575 1.648 3.269 1.00 43.12 H new ATOM 0 HB3 CYS A 149 -5.809 0.254 2.232 1.00 43.12 H new ATOM 0 HG CYS A 149 -7.754 2.679 2.229 1.00 71.23 H new ATOM 956 N TYR A 150 -4.043 -1.073 4.105 1.00 23.01 N ATOM 957 CA TYR A 150 -2.666 -1.341 4.505 1.00 33.20 C ATOM 958 C TYR A 150 -1.885 -1.989 3.366 1.00 33.45 C ATOM 959 O TYR A 150 -2.431 -2.778 2.593 1.00 11.44 O ATOM 960 CB TYR A 150 -2.638 -2.246 5.738 1.00 12.54 C ATOM 961 CG TYR A 150 -3.050 -3.671 5.453 1.00 75.02 C ATOM 962 CD1 TYR A 150 -4.384 -4.001 5.242 1.00 30.20 C ATOM 963 CD2 TYR A 150 -2.108 -4.690 5.394 1.00 65.02 C ATOM 964 CE1 TYR A 150 -4.766 -5.303 4.982 1.00 34.14 C ATOM 965 CE2 TYR A 150 -2.480 -5.994 5.133 1.00 73.34 C ATOM 966 CZ TYR A 150 -3.810 -6.296 4.928 1.00 41.52 C ATOM 967 OH TYR A 150 -4.185 -7.594 4.668 1.00 32.13 O ATOM 0 H TYR A 150 -4.325 -1.526 3.236 1.00 23.01 H new ATOM 0 HA TYR A 150 -2.193 -0.390 4.750 1.00 33.20 H new ATOM 0 HB2 TYR A 150 -1.631 -2.245 6.156 1.00 12.54 H new ATOM 0 HB3 TYR A 150 -3.300 -1.831 6.498 1.00 12.54 H new ATOM 0 HD1 TYR A 150 -5.135 -3.226 5.282 1.00 30.20 H new ATOM 0 HD2 TYR A 150 -1.066 -4.458 5.555 1.00 65.02 H new ATOM 0 HE1 TYR A 150 -5.807 -5.542 4.822 1.00 34.14 H new ATOM 0 HE2 TYR A 150 -1.733 -6.773 5.090 1.00 73.34 H new ATOM 0 HH TYR A 150 -3.391 -8.169 4.663 1.00 32.13 H new ATOM 977 N ILE A 151 -0.603 -1.653 3.270 1.00 3.15 N ATOM 978 CA ILE A 151 0.255 -2.203 2.229 1.00 44.20 C ATOM 979 C ILE A 151 1.087 -3.366 2.759 1.00 72.12 C ATOM 980 O ILE A 151 1.985 -3.178 3.579 1.00 31.32 O ATOM 981 CB ILE A 151 1.200 -1.131 1.653 1.00 34.24 C ATOM 982 CG1 ILE A 151 0.447 -0.229 0.673 1.00 3.02 C ATOM 983 CG2 ILE A 151 2.391 -1.787 0.971 1.00 2.23 C ATOM 984 CD1 ILE A 151 1.252 0.965 0.211 1.00 41.42 C ATOM 0 H ILE A 151 -0.136 -1.002 3.901 1.00 3.15 H new ATOM 0 HA ILE A 151 -0.402 -2.561 1.436 1.00 44.20 H new ATOM 0 HB ILE A 151 1.570 -0.515 2.473 1.00 34.24 H new ATOM 0 HG12 ILE A 151 0.152 -0.817 -0.196 1.00 3.02 H new ATOM 0 HG13 ILE A 151 -0.470 0.122 1.146 1.00 3.02 H new ATOM 0 HG21 ILE A 151 3.050 -1.017 0.569 1.00 2.23 H new ATOM 0 HG22 ILE A 151 2.938 -2.391 1.695 1.00 2.23 H new ATOM 0 HG23 ILE A 151 2.040 -2.424 0.159 1.00 2.23 H new ATOM 0 HD11 ILE A 151 0.656 1.560 -0.481 1.00 41.42 H new ATOM 0 HD12 ILE A 151 1.525 1.575 1.072 1.00 41.42 H new ATOM 0 HD13 ILE A 151 2.156 0.622 -0.291 1.00 41.42 H new ATOM 996 N LYS A 152 0.782 -4.568 2.283 1.00 63.54 N ATOM 997 CA LYS A 152 1.503 -5.764 2.706 1.00 62.11 C ATOM 998 C LYS A 152 2.791 -5.934 1.907 1.00 1.22 C ATOM 999 O LYS A 152 2.765 -6.359 0.752 1.00 55.42 O ATOM 1000 CB LYS A 152 0.620 -7.003 2.538 1.00 12.35 C ATOM 1001 CG LYS A 152 0.606 -7.908 3.757 1.00 61.33 C ATOM 1002 CD LYS A 152 1.055 -9.319 3.409 1.00 0.43 C ATOM 1003 CE LYS A 152 1.411 -10.114 4.655 1.00 12.30 C ATOM 1004 NZ LYS A 152 2.542 -11.050 4.411 1.00 44.00 N ATOM 0 H LYS A 152 0.041 -4.741 1.604 1.00 63.54 H new ATOM 0 HA LYS A 152 1.761 -5.649 3.759 1.00 62.11 H new ATOM 0 HB2 LYS A 152 -0.400 -6.686 2.320 1.00 12.35 H new ATOM 0 HB3 LYS A 152 0.968 -7.573 1.676 1.00 12.35 H new ATOM 0 HG2 LYS A 152 1.261 -7.496 4.525 1.00 61.33 H new ATOM 0 HG3 LYS A 152 -0.399 -7.938 4.177 1.00 61.33 H new ATOM 0 HD2 LYS A 152 0.261 -9.830 2.864 1.00 0.43 H new ATOM 0 HD3 LYS A 152 1.919 -9.274 2.746 1.00 0.43 H new ATOM 0 HE2 LYS A 152 1.674 -9.428 5.460 1.00 12.30 H new ATOM 0 HE3 LYS A 152 0.539 -10.677 4.988 1.00 12.30 H new ATOM 0 HZ1 LYS A 152 2.754 -11.573 5.284 1.00 44.00 H new ATOM 0 HZ2 LYS A 152 2.282 -11.721 3.660 1.00 44.00 H new ATOM 0 HZ3 LYS A 152 3.382 -10.511 4.118 1.00 44.00 H new ATOM 1018 N ALA A 153 3.916 -5.600 2.529 1.00 24.34 N ATOM 1019 CA ALA A 153 5.214 -5.719 1.878 1.00 4.21 C ATOM 1020 C ALA A 153 5.875 -7.053 2.208 1.00 71.32 C ATOM 1021 O ALA A 153 5.714 -7.581 3.309 1.00 1.51 O ATOM 1022 CB ALA A 153 6.119 -4.565 2.286 1.00 54.40 C ATOM 0 H ALA A 153 3.955 -5.244 3.484 1.00 24.34 H new ATOM 0 HA ALA A 153 5.055 -5.678 0.800 1.00 4.21 H new ATOM 0 HB1 ALA A 153 7.085 -4.668 1.792 1.00 54.40 H new ATOM 0 HB2 ALA A 153 5.660 -3.621 1.992 1.00 54.40 H new ATOM 0 HB3 ALA A 153 6.261 -4.579 3.367 1.00 54.40 H new ATOM 1028 N VAL A 154 6.617 -7.595 1.249 1.00 42.35 N ATOM 1029 CA VAL A 154 7.302 -8.868 1.438 1.00 63.20 C ATOM 1030 C VAL A 154 8.708 -8.828 0.850 1.00 62.12 C ATOM 1031 O VAL A 154 8.892 -8.521 -0.328 1.00 51.24 O ATOM 1032 CB VAL A 154 6.520 -10.027 0.792 1.00 23.02 C ATOM 1033 CG1 VAL A 154 7.141 -11.365 1.169 1.00 52.44 C ATOM 1034 CG2 VAL A 154 5.057 -9.975 1.202 1.00 74.30 C ATOM 0 H VAL A 154 6.760 -7.172 0.332 1.00 42.35 H new ATOM 0 HA VAL A 154 7.366 -9.037 2.513 1.00 63.20 H new ATOM 0 HB VAL A 154 6.574 -9.920 -0.291 1.00 23.02 H new ATOM 0 HG11 VAL A 154 6.576 -12.172 0.704 1.00 52.44 H new ATOM 0 HG12 VAL A 154 8.174 -11.398 0.821 1.00 52.44 H new ATOM 0 HG13 VAL A 154 7.119 -11.484 2.252 1.00 52.44 H new ATOM 0 HG21 VAL A 154 4.519 -10.801 0.737 1.00 74.30 H new ATOM 0 HG22 VAL A 154 4.980 -10.057 2.286 1.00 74.30 H new ATOM 0 HG23 VAL A 154 4.622 -9.030 0.878 1.00 74.30 H new ATOM 1044 N SER A 155 9.700 -9.141 1.679 1.00 41.35 N ATOM 1045 CA SER A 155 11.091 -9.138 1.242 1.00 62.12 C ATOM 1046 C SER A 155 11.566 -10.554 0.930 1.00 33.02 C ATOM 1047 O SER A 155 11.136 -11.518 1.564 1.00 73.53 O ATOM 1048 CB SER A 155 11.983 -8.514 2.316 1.00 1.11 C ATOM 1049 OG SER A 155 12.620 -9.512 3.093 1.00 24.43 O ATOM 0 H SER A 155 9.566 -9.400 2.656 1.00 41.35 H new ATOM 0 HA SER A 155 11.159 -8.542 0.332 1.00 62.12 H new ATOM 0 HB2 SER A 155 12.735 -7.880 1.846 1.00 1.11 H new ATOM 0 HB3 SER A 155 11.384 -7.872 2.963 1.00 1.11 H new ATOM 0 HG SER A 155 13.186 -9.087 3.771 1.00 24.43 H new ATOM 1055 N SER A 156 12.455 -10.672 -0.050 1.00 44.41 N ATOM 1056 CA SER A 156 12.986 -11.970 -0.449 1.00 41.45 C ATOM 1057 C SER A 156 14.413 -11.835 -0.971 1.00 64.01 C ATOM 1058 O SER A 156 14.793 -10.799 -1.516 1.00 55.24 O ATOM 1059 CB SER A 156 12.096 -12.600 -1.522 1.00 44.11 C ATOM 1060 OG SER A 156 12.580 -12.308 -2.821 1.00 53.25 O ATOM 0 H SER A 156 12.823 -9.884 -0.583 1.00 44.41 H new ATOM 0 HA SER A 156 12.998 -12.616 0.429 1.00 41.45 H new ATOM 0 HB2 SER A 156 12.057 -13.680 -1.379 1.00 44.11 H new ATOM 0 HB3 SER A 156 11.077 -12.228 -1.418 1.00 44.11 H new ATOM 0 HG SER A 156 11.995 -12.723 -3.489 1.00 53.25 H new ATOM 1066 N GLY A 157 15.203 -12.892 -0.798 1.00 55.40 N ATOM 1067 CA GLY A 157 16.579 -12.873 -1.256 1.00 44.32 C ATOM 1068 C GLY A 157 17.571 -12.814 -0.111 1.00 72.42 C ATOM 1069 O GLY A 157 18.302 -11.836 0.039 1.00 55.01 O ATOM 0 H GLY A 157 14.913 -13.761 -0.349 1.00 55.40 H new ATOM 0 HA2 GLY A 157 16.772 -13.764 -1.854 1.00 44.32 H new ATOM 0 HA3 GLY A 157 16.730 -12.013 -1.908 1.00 44.32 H new ATOM 1073 N LYS A 158 17.595 -13.866 0.702 1.00 12.31 N ATOM 1074 CA LYS A 158 18.503 -13.932 1.841 1.00 32.21 C ATOM 1075 C LYS A 158 18.101 -12.926 2.916 1.00 45.44 C ATOM 1076 O LYS A 158 17.541 -13.296 3.947 1.00 73.21 O ATOM 1077 CB LYS A 158 19.940 -13.666 1.389 1.00 45.20 C ATOM 1078 CG LYS A 158 20.864 -14.858 1.565 1.00 61.43 C ATOM 1079 CD LYS A 158 21.539 -14.845 2.925 1.00 5.20 C ATOM 1080 CE LYS A 158 21.078 -16.009 3.788 1.00 33.42 C ATOM 1081 NZ LYS A 158 21.855 -17.248 3.512 1.00 42.05 N ATOM 0 H LYS A 158 16.996 -14.684 0.593 1.00 12.31 H new ATOM 0 HA LYS A 158 18.442 -14.934 2.266 1.00 32.21 H new ATOM 0 HB2 LYS A 158 19.933 -13.374 0.339 1.00 45.20 H new ATOM 0 HB3 LYS A 158 20.339 -12.822 1.952 1.00 45.20 H new ATOM 0 HG2 LYS A 158 20.295 -15.780 1.449 1.00 61.43 H new ATOM 0 HG3 LYS A 158 21.622 -14.851 0.782 1.00 61.43 H new ATOM 0 HD2 LYS A 158 22.620 -14.892 2.796 1.00 5.20 H new ATOM 0 HD3 LYS A 158 21.319 -13.906 3.432 1.00 5.20 H new ATOM 0 HE2 LYS A 158 21.180 -15.743 4.840 1.00 33.42 H new ATOM 0 HE3 LYS A 158 20.019 -16.197 3.608 1.00 33.42 H new ATOM 0 HZ1 LYS A 158 21.510 -18.017 4.121 1.00 42.05 H new ATOM 0 HZ2 LYS A 158 21.737 -17.517 2.514 1.00 42.05 H new ATOM 0 HZ3 LYS A 158 22.862 -17.077 3.708 1.00 42.05 H new ATOM 1095 N ARG A 159 18.392 -11.653 2.667 1.00 65.44 N ATOM 1096 CA ARG A 159 18.061 -10.595 3.612 1.00 5.34 C ATOM 1097 C ARG A 159 17.526 -9.363 2.887 1.00 62.33 C ATOM 1098 O ARG A 159 16.403 -8.923 3.132 1.00 23.04 O ATOM 1099 CB ARG A 159 19.291 -10.218 4.440 1.00 44.42 C ATOM 1100 CG ARG A 159 19.307 -10.839 5.827 1.00 1.43 C ATOM 1101 CD ARG A 159 19.602 -9.800 6.899 1.00 63.34 C ATOM 1102 NE ARG A 159 19.438 -10.342 8.245 1.00 24.02 N ATOM 1103 CZ ARG A 159 19.510 -9.604 9.347 1.00 12.14 C ATOM 1104 NH1 ARG A 159 19.739 -8.301 9.263 1.00 4.50 N ATOM 1105 NH2 ARG A 159 19.350 -10.170 10.537 1.00 53.42 N ATOM 0 H ARG A 159 18.856 -11.330 1.818 1.00 65.44 H new ATOM 0 HA ARG A 159 17.283 -10.969 4.278 1.00 5.34 H new ATOM 0 HB2 ARG A 159 20.188 -10.526 3.903 1.00 44.42 H new ATOM 0 HB3 ARG A 159 19.334 -9.133 4.537 1.00 44.42 H new ATOM 0 HG2 ARG A 159 18.344 -11.308 6.028 1.00 1.43 H new ATOM 0 HG3 ARG A 159 20.059 -11.627 5.866 1.00 1.43 H new ATOM 0 HD2 ARG A 159 20.621 -9.433 6.778 1.00 63.34 H new ATOM 0 HD3 ARG A 159 18.938 -8.946 6.769 1.00 63.34 H new ATOM 0 HE ARG A 159 19.258 -11.341 8.344 1.00 24.02 H new ATOM 0 HH11 ARG A 159 19.860 -7.862 8.350 1.00 4.50 H new ATOM 0 HH12 ARG A 159 19.794 -7.737 10.111 1.00 4.50 H new ATOM 0 HH21 ARG A 159 19.172 -11.172 10.605 1.00 53.42 H new ATOM 0 HH22 ARG A 159 19.405 -9.603 11.383 1.00 53.42 H new ATOM 1119 N LYS A 160 18.339 -8.812 1.992 1.00 53.43 N ATOM 1120 CA LYS A 160 17.949 -7.633 1.228 1.00 1.45 C ATOM 1121 C LYS A 160 18.314 -7.791 -0.244 1.00 62.41 C ATOM 1122 O LYS A 160 19.476 -7.651 -0.623 1.00 5.10 O ATOM 1123 CB LYS A 160 18.624 -6.383 1.800 1.00 72.54 C ATOM 1124 CG LYS A 160 17.731 -5.155 1.796 1.00 1.33 C ATOM 1125 CD LYS A 160 17.896 -4.342 3.069 1.00 1.14 C ATOM 1126 CE LYS A 160 17.745 -2.852 2.803 1.00 32.34 C ATOM 1127 NZ LYS A 160 18.007 -2.041 4.024 1.00 21.23 N ATOM 0 H LYS A 160 19.272 -9.163 1.778 1.00 53.43 H new ATOM 0 HA LYS A 160 16.867 -7.523 1.305 1.00 1.45 H new ATOM 0 HB2 LYS A 160 18.942 -6.587 2.822 1.00 72.54 H new ATOM 0 HB3 LYS A 160 19.524 -6.170 1.223 1.00 72.54 H new ATOM 0 HG2 LYS A 160 17.969 -4.534 0.933 1.00 1.33 H new ATOM 0 HG3 LYS A 160 16.690 -5.461 1.691 1.00 1.33 H new ATOM 0 HD2 LYS A 160 17.155 -4.659 3.803 1.00 1.14 H new ATOM 0 HD3 LYS A 160 18.877 -4.538 3.502 1.00 1.14 H new ATOM 0 HE2 LYS A 160 18.434 -2.552 2.013 1.00 32.34 H new ATOM 0 HE3 LYS A 160 16.737 -2.648 2.441 1.00 32.34 H new ATOM 0 HZ1 LYS A 160 17.894 -1.031 3.801 1.00 21.23 H new ATOM 0 HZ2 LYS A 160 17.333 -2.309 4.770 1.00 21.23 H new ATOM 0 HZ3 LYS A 160 18.977 -2.216 4.355 1.00 21.23 H new ATOM 1141 N GLU A 161 17.314 -8.085 -1.069 1.00 23.10 N ATOM 1142 CA GLU A 161 17.533 -8.263 -2.500 1.00 13.20 C ATOM 1143 C GLU A 161 16.341 -7.744 -3.301 1.00 21.42 C ATOM 1144 O GLU A 161 16.468 -6.807 -4.086 1.00 3.43 O ATOM 1145 CB GLU A 161 17.774 -9.739 -2.823 1.00 61.11 C ATOM 1146 CG GLU A 161 18.745 -9.961 -3.970 1.00 5.53 C ATOM 1147 CD GLU A 161 20.189 -10.010 -3.511 1.00 4.42 C ATOM 1148 OE1 GLU A 161 20.671 -11.115 -3.184 1.00 11.33 O ATOM 1149 OE2 GLU A 161 20.838 -8.943 -3.479 1.00 21.12 O ATOM 0 H GLU A 161 16.346 -8.205 -0.772 1.00 23.10 H new ATOM 0 HA GLU A 161 18.416 -7.689 -2.780 1.00 13.20 H new ATOM 0 HB2 GLU A 161 18.156 -10.239 -1.933 1.00 61.11 H new ATOM 0 HB3 GLU A 161 16.821 -10.209 -3.069 1.00 61.11 H new ATOM 0 HG2 GLU A 161 18.497 -10.894 -4.476 1.00 5.53 H new ATOM 0 HG3 GLU A 161 18.627 -9.161 -4.701 1.00 5.53 H new ATOM 1156 N GLY A 162 15.182 -8.363 -3.094 1.00 64.14 N ATOM 1157 CA GLY A 162 13.984 -7.953 -3.804 1.00 5.53 C ATOM 1158 C GLY A 162 12.776 -7.857 -2.894 1.00 42.31 C ATOM 1159 O GLY A 162 12.457 -8.803 -2.173 1.00 42.22 O ATOM 0 H GLY A 162 15.052 -9.141 -2.447 1.00 64.14 H new ATOM 0 HA2 GLY A 162 14.158 -6.986 -4.275 1.00 5.53 H new ATOM 0 HA3 GLY A 162 13.777 -8.665 -4.603 1.00 5.53 H new ATOM 1163 N ILE A 163 12.104 -6.711 -2.925 1.00 12.24 N ATOM 1164 CA ILE A 163 10.925 -6.496 -2.097 1.00 14.12 C ATOM 1165 C ILE A 163 9.713 -6.130 -2.948 1.00 41.14 C ATOM 1166 O ILE A 163 9.821 -5.352 -3.896 1.00 21.01 O ATOM 1167 CB ILE A 163 11.161 -5.383 -1.058 1.00 62.41 C ATOM 1168 CG1 ILE A 163 12.348 -5.739 -0.160 1.00 2.44 C ATOM 1169 CG2 ILE A 163 9.908 -5.161 -0.225 1.00 32.42 C ATOM 1170 CD1 ILE A 163 12.686 -4.664 0.849 1.00 12.10 C ATOM 0 H ILE A 163 12.356 -5.918 -3.515 1.00 12.24 H new ATOM 0 HA ILE A 163 10.732 -7.434 -1.577 1.00 14.12 H new ATOM 0 HB ILE A 163 11.392 -4.457 -1.585 1.00 62.41 H new ATOM 0 HG12 ILE A 163 12.128 -6.666 0.369 1.00 2.44 H new ATOM 0 HG13 ILE A 163 13.222 -5.928 -0.784 1.00 2.44 H new ATOM 0 HG21 ILE A 163 10.091 -4.372 0.504 1.00 32.42 H new ATOM 0 HG22 ILE A 163 9.085 -4.869 -0.877 1.00 32.42 H new ATOM 0 HG23 ILE A 163 9.649 -6.083 0.296 1.00 32.42 H new ATOM 0 HD11 ILE A 163 13.537 -4.984 1.451 1.00 12.10 H new ATOM 0 HD12 ILE A 163 12.938 -3.741 0.327 1.00 12.10 H new ATOM 0 HD13 ILE A 163 11.827 -4.491 1.498 1.00 12.10 H new ATOM 1182 N ILE A 164 8.562 -6.695 -2.602 1.00 72.25 N ATOM 1183 CA ILE A 164 7.330 -6.427 -3.334 1.00 14.31 C ATOM 1184 C ILE A 164 6.215 -5.989 -2.390 1.00 1.34 C ATOM 1185 O ILE A 164 5.939 -6.649 -1.388 1.00 1.13 O ATOM 1186 CB ILE A 164 6.861 -7.664 -4.123 1.00 64.21 C ATOM 1187 CG1 ILE A 164 7.996 -8.193 -5.003 1.00 42.21 C ATOM 1188 CG2 ILE A 164 5.643 -7.324 -4.967 1.00 10.14 C ATOM 1189 CD1 ILE A 164 7.677 -9.511 -5.672 1.00 55.42 C ATOM 0 H ILE A 164 8.456 -7.341 -1.820 1.00 72.25 H new ATOM 0 HA ILE A 164 7.549 -5.621 -4.035 1.00 14.31 H new ATOM 0 HB ILE A 164 6.580 -8.444 -3.415 1.00 64.21 H new ATOM 0 HG12 ILE A 164 8.227 -7.452 -5.769 1.00 42.21 H new ATOM 0 HG13 ILE A 164 8.892 -8.311 -4.394 1.00 42.21 H new ATOM 0 HG21 ILE A 164 5.324 -8.209 -5.518 1.00 10.14 H new ATOM 0 HG22 ILE A 164 4.833 -6.989 -4.319 1.00 10.14 H new ATOM 0 HG23 ILE A 164 5.897 -6.531 -5.670 1.00 10.14 H new ATOM 0 HD11 ILE A 164 8.526 -9.826 -6.279 1.00 55.42 H new ATOM 0 HD12 ILE A 164 7.475 -10.266 -4.912 1.00 55.42 H new ATOM 0 HD13 ILE A 164 6.800 -9.393 -6.308 1.00 55.42 H new ATOM 1201 N HIS A 165 5.575 -4.870 -2.717 1.00 14.40 N ATOM 1202 CA HIS A 165 4.487 -4.344 -1.901 1.00 21.15 C ATOM 1203 C HIS A 165 3.132 -4.700 -2.505 1.00 22.23 C ATOM 1204 O HIS A 165 2.942 -4.622 -3.719 1.00 11.24 O ATOM 1205 CB HIS A 165 4.614 -2.827 -1.761 1.00 40.31 C ATOM 1206 CG HIS A 165 6.017 -2.362 -1.519 1.00 65.24 C ATOM 1207 ND1 HIS A 165 6.867 -1.973 -2.534 1.00 32.41 N ATOM 1208 CD2 HIS A 165 6.718 -2.224 -0.369 1.00 54.52 C ATOM 1209 CE1 HIS A 165 8.030 -1.617 -2.018 1.00 73.44 C ATOM 1210 NE2 HIS A 165 7.966 -1.760 -0.707 1.00 13.13 N ATOM 0 H HIS A 165 5.792 -4.310 -3.542 1.00 14.40 H new ATOM 0 HA HIS A 165 4.554 -4.799 -0.913 1.00 21.15 H new ATOM 0 HB2 HIS A 165 4.235 -2.354 -2.667 1.00 40.31 H new ATOM 0 HB3 HIS A 165 3.982 -2.492 -0.938 1.00 40.31 H new ATOM 0 HD2 HIS A 165 6.362 -2.439 0.628 1.00 54.52 H new ATOM 0 HE1 HIS A 165 8.888 -1.268 -2.574 1.00 73.44 H new ATOM 0 HE2 HIS A 165 8.721 -1.559 -0.051 1.00 13.13 H new ATOM 1218 N THR A 166 2.194 -5.093 -1.649 1.00 62.54 N ATOM 1219 CA THR A 166 0.857 -5.463 -2.099 1.00 21.42 C ATOM 1220 C THR A 166 -0.214 -4.723 -1.305 1.00 61.44 C ATOM 1221 O THR A 166 -0.428 -5.000 -0.124 1.00 72.01 O ATOM 1222 CB THR A 166 0.621 -6.981 -1.968 1.00 12.33 C ATOM 1223 OG1 THR A 166 1.740 -7.597 -1.322 1.00 44.13 O ATOM 1224 CG2 THR A 166 0.406 -7.613 -3.334 1.00 74.35 C ATOM 0 H THR A 166 2.335 -5.163 -0.641 1.00 62.54 H new ATOM 0 HA THR A 166 0.787 -5.181 -3.149 1.00 21.42 H new ATOM 0 HB THR A 166 -0.275 -7.137 -1.367 1.00 12.33 H new ATOM 0 HG1 THR A 166 1.793 -7.287 -0.394 1.00 44.13 H new ATOM 0 HG21 THR A 166 0.241 -8.684 -3.217 1.00 74.35 H new ATOM 0 HG22 THR A 166 -0.464 -7.162 -3.811 1.00 74.35 H new ATOM 0 HG23 THR A 166 1.287 -7.447 -3.955 1.00 74.35 H new ATOM 1232 N LEU A 167 -0.884 -3.783 -1.961 1.00 75.44 N ATOM 1233 CA LEU A 167 -1.936 -3.003 -1.317 1.00 63.15 C ATOM 1234 C LEU A 167 -3.136 -3.882 -0.980 1.00 12.32 C ATOM 1235 O LEU A 167 -3.541 -4.730 -1.776 1.00 4.24 O ATOM 1236 CB LEU A 167 -2.372 -1.851 -2.223 1.00 44.44 C ATOM 1237 CG LEU A 167 -3.577 -1.040 -1.747 1.00 5.05 C ATOM 1238 CD1 LEU A 167 -3.390 -0.609 -0.300 1.00 31.33 C ATOM 1239 CD2 LEU A 167 -3.793 0.171 -2.642 1.00 61.32 C ATOM 0 H LEU A 167 -0.718 -3.542 -2.938 1.00 75.44 H new ATOM 0 HA LEU A 167 -1.535 -2.595 -0.389 1.00 63.15 H new ATOM 0 HB2 LEU A 167 -1.528 -1.172 -2.345 1.00 44.44 H new ATOM 0 HB3 LEU A 167 -2.599 -2.257 -3.209 1.00 44.44 H new ATOM 0 HG LEU A 167 -4.463 -1.672 -1.806 1.00 5.05 H new ATOM 0 HD11 LEU A 167 -4.257 -0.033 0.023 1.00 31.33 H new ATOM 0 HD12 LEU A 167 -3.285 -1.491 0.332 1.00 31.33 H new ATOM 0 HD13 LEU A 167 -2.494 0.006 -0.216 1.00 31.33 H new ATOM 0 HD21 LEU A 167 -4.655 0.736 -2.288 1.00 61.32 H new ATOM 0 HD22 LEU A 167 -2.907 0.806 -2.615 1.00 61.32 H new ATOM 0 HD23 LEU A 167 -3.972 -0.160 -3.665 1.00 61.32 H new ATOM 1251 N ILE A 168 -3.703 -3.672 0.204 1.00 44.31 N ATOM 1252 CA ILE A 168 -4.859 -4.442 0.645 1.00 52.53 C ATOM 1253 C ILE A 168 -5.876 -3.551 1.350 1.00 53.21 C ATOM 1254 O ILE A 168 -5.535 -2.806 2.268 1.00 22.44 O ATOM 1255 CB ILE A 168 -4.446 -5.582 1.595 1.00 74.05 C ATOM 1256 CG1 ILE A 168 -3.380 -6.461 0.939 1.00 61.32 C ATOM 1257 CG2 ILE A 168 -5.661 -6.413 1.982 1.00 20.13 C ATOM 1258 CD1 ILE A 168 -3.160 -7.778 1.651 1.00 51.13 C ATOM 0 H ILE A 168 -3.380 -2.975 0.875 1.00 44.31 H new ATOM 0 HA ILE A 168 -5.313 -4.871 -0.248 1.00 52.53 H new ATOM 0 HB ILE A 168 -4.023 -5.147 2.500 1.00 74.05 H new ATOM 0 HG12 ILE A 168 -3.669 -6.659 -0.093 1.00 61.32 H new ATOM 0 HG13 ILE A 168 -2.438 -5.913 0.907 1.00 61.32 H new ATOM 0 HG21 ILE A 168 -5.354 -7.215 2.654 1.00 20.13 H new ATOM 0 HG22 ILE A 168 -6.391 -5.778 2.484 1.00 20.13 H new ATOM 0 HG23 ILE A 168 -6.109 -6.842 1.086 1.00 20.13 H new ATOM 0 HD11 ILE A 168 -2.391 -8.349 1.131 1.00 51.13 H new ATOM 0 HD12 ILE A 168 -2.840 -7.589 2.676 1.00 51.13 H new ATOM 0 HD13 ILE A 168 -4.090 -8.346 1.660 1.00 51.13 H new ATOM 1270 N VAL A 169 -7.129 -3.634 0.913 1.00 50.30 N ATOM 1271 CA VAL A 169 -8.199 -2.838 1.503 1.00 3.04 C ATOM 1272 C VAL A 169 -9.377 -3.716 1.911 1.00 5.11 C ATOM 1273 O VAL A 169 -9.946 -4.429 1.085 1.00 74.41 O ATOM 1274 CB VAL A 169 -8.693 -1.752 0.529 1.00 34.14 C ATOM 1275 CG1 VAL A 169 -9.810 -0.936 1.162 1.00 74.31 C ATOM 1276 CG2 VAL A 169 -7.542 -0.855 0.102 1.00 32.03 C ATOM 0 H VAL A 169 -7.428 -4.244 0.152 1.00 50.30 H new ATOM 0 HA VAL A 169 -7.785 -2.358 2.390 1.00 3.04 H new ATOM 0 HB VAL A 169 -9.091 -2.240 -0.361 1.00 34.14 H new ATOM 0 HG11 VAL A 169 -10.147 -0.174 0.460 1.00 74.31 H new ATOM 0 HG12 VAL A 169 -10.643 -1.592 1.412 1.00 74.31 H new ATOM 0 HG13 VAL A 169 -9.441 -0.456 2.069 1.00 74.31 H new ATOM 0 HG21 VAL A 169 -7.910 -0.094 -0.586 1.00 32.03 H new ATOM 0 HG22 VAL A 169 -7.111 -0.373 0.980 1.00 32.03 H new ATOM 0 HG23 VAL A 169 -6.779 -1.454 -0.394 1.00 32.03 H new ATOM 1286 N ASP A 170 -9.737 -3.658 3.188 1.00 4.55 N ATOM 1287 CA ASP A 170 -10.849 -4.446 3.705 1.00 22.33 C ATOM 1288 C ASP A 170 -10.555 -5.939 3.594 1.00 52.31 C ATOM 1289 O ASP A 170 -11.442 -6.736 3.289 1.00 0.41 O ATOM 1290 CB ASP A 170 -12.136 -4.110 2.949 1.00 10.25 C ATOM 1291 CG ASP A 170 -13.333 -3.987 3.872 1.00 42.20 C ATOM 1292 OD1 ASP A 170 -13.337 -4.649 4.930 1.00 22.24 O ATOM 1293 OD2 ASP A 170 -14.267 -3.230 3.534 1.00 72.21 O ATOM 0 H ASP A 170 -9.275 -3.073 3.884 1.00 4.55 H new ATOM 0 HA ASP A 170 -10.980 -4.197 4.758 1.00 22.33 H new ATOM 0 HB2 ASP A 170 -12.002 -3.174 2.406 1.00 10.25 H new ATOM 0 HB3 ASP A 170 -12.331 -4.884 2.207 1.00 10.25 H new ATOM 1298 N ASN A 171 -9.303 -6.310 3.842 1.00 42.03 N ATOM 1299 CA ASN A 171 -8.891 -7.708 3.768 1.00 13.11 C ATOM 1300 C ASN A 171 -9.046 -8.245 2.349 1.00 61.23 C ATOM 1301 O ASN A 171 -9.521 -9.363 2.146 1.00 32.25 O ATOM 1302 CB ASN A 171 -9.715 -8.556 4.740 1.00 42.23 C ATOM 1303 CG ASN A 171 -8.888 -9.638 5.407 1.00 3.43 C ATOM 1304 OD1 ASN A 171 -8.222 -9.392 6.413 1.00 61.42 O ATOM 1305 ND2 ASN A 171 -8.926 -10.841 4.847 1.00 24.24 N ATOM 0 H ASN A 171 -8.556 -5.663 4.096 1.00 42.03 H new ATOM 0 HA ASN A 171 -7.839 -7.767 4.047 1.00 13.11 H new ATOM 0 HB2 ASN A 171 -10.148 -7.910 5.504 1.00 42.23 H new ATOM 0 HB3 ASN A 171 -10.545 -9.016 4.203 1.00 42.23 H new ATOM 0 HD21 ASN A 171 -8.389 -11.608 5.250 1.00 24.24 H new ATOM 0 HD22 ASN A 171 -9.493 -10.998 4.013 1.00 24.24 H new ATOM 1312 N ARG A 172 -8.641 -7.443 1.370 1.00 22.42 N ATOM 1313 CA ARG A 172 -8.735 -7.838 -0.030 1.00 31.42 C ATOM 1314 C ARG A 172 -7.521 -7.349 -0.816 1.00 11.12 C ATOM 1315 O ARG A 172 -7.138 -6.184 -0.719 1.00 45.12 O ATOM 1316 CB ARG A 172 -10.016 -7.283 -0.653 1.00 73.14 C ATOM 1317 CG ARG A 172 -11.269 -8.044 -0.250 1.00 13.22 C ATOM 1318 CD ARG A 172 -11.426 -9.325 -1.053 1.00 62.24 C ATOM 1319 NE ARG A 172 -12.626 -9.307 -1.886 1.00 13.33 N ATOM 1320 CZ ARG A 172 -13.105 -10.376 -2.511 1.00 4.00 C ATOM 1321 NH1 ARG A 172 -12.487 -11.544 -2.399 1.00 74.21 N ATOM 1322 NH2 ARG A 172 -14.202 -10.280 -3.249 1.00 43.43 N ATOM 0 H ARG A 172 -8.244 -6.515 1.521 1.00 22.42 H new ATOM 0 HA ARG A 172 -8.760 -8.927 -0.073 1.00 31.42 H new ATOM 0 HB2 ARG A 172 -10.127 -6.238 -0.364 1.00 73.14 H new ATOM 0 HB3 ARG A 172 -9.921 -7.305 -1.739 1.00 73.14 H new ATOM 0 HG2 ARG A 172 -11.225 -8.283 0.813 1.00 13.22 H new ATOM 0 HG3 ARG A 172 -12.144 -7.411 -0.398 1.00 13.22 H new ATOM 0 HD2 ARG A 172 -10.549 -9.466 -1.684 1.00 62.24 H new ATOM 0 HD3 ARG A 172 -11.470 -10.176 -0.373 1.00 62.24 H new ATOM 0 HE ARG A 172 -13.124 -8.423 -1.994 1.00 13.33 H new ATOM 0 HH11 ARG A 172 -11.643 -11.622 -1.832 1.00 74.21 H new ATOM 0 HH12 ARG A 172 -12.856 -12.364 -2.880 1.00 74.21 H new ATOM 0 HH21 ARG A 172 -14.680 -9.383 -3.338 1.00 43.43 H new ATOM 0 HH22 ARG A 172 -14.568 -11.103 -3.728 1.00 43.43 H new ATOM 1336 N GLU A 173 -6.922 -8.248 -1.591 1.00 75.24 N ATOM 1337 CA GLU A 173 -5.753 -7.907 -2.391 1.00 21.03 C ATOM 1338 C GLU A 173 -6.091 -6.833 -3.421 1.00 11.02 C ATOM 1339 O GLU A 173 -7.206 -6.788 -3.941 1.00 53.42 O ATOM 1340 CB GLU A 173 -5.210 -9.152 -3.097 1.00 23.24 C ATOM 1341 CG GLU A 173 -3.756 -9.026 -3.520 1.00 54.42 C ATOM 1342 CD GLU A 173 -3.265 -10.238 -4.288 1.00 41.31 C ATOM 1343 OE1 GLU A 173 -3.201 -11.332 -3.691 1.00 73.23 O ATOM 1344 OE2 GLU A 173 -2.944 -10.091 -5.486 1.00 30.03 O ATOM 0 H GLU A 173 -7.227 -9.217 -1.681 1.00 75.24 H new ATOM 0 HA GLU A 173 -4.989 -7.515 -1.720 1.00 21.03 H new ATOM 0 HB2 GLU A 173 -5.313 -10.010 -2.433 1.00 23.24 H new ATOM 0 HB3 GLU A 173 -5.820 -9.355 -3.978 1.00 23.24 H new ATOM 0 HG2 GLU A 173 -3.637 -8.136 -4.138 1.00 54.42 H new ATOM 0 HG3 GLU A 173 -3.135 -8.885 -2.635 1.00 54.42 H new ATOM 1351 N ILE A 174 -5.122 -5.971 -3.708 1.00 73.13 N ATOM 1352 CA ILE A 174 -5.317 -4.898 -4.675 1.00 64.12 C ATOM 1353 C ILE A 174 -4.273 -4.961 -5.784 1.00 63.45 C ATOM 1354 O ILE A 174 -3.071 -5.063 -5.535 1.00 62.43 O ATOM 1355 CB ILE A 174 -5.251 -3.515 -4.002 1.00 54.42 C ATOM 1356 CG1 ILE A 174 -6.393 -3.358 -2.995 1.00 22.53 C ATOM 1357 CG2 ILE A 174 -5.308 -2.413 -5.049 1.00 4.41 C ATOM 1358 CD1 ILE A 174 -7.344 -2.232 -3.331 1.00 34.14 C ATOM 0 H ILE A 174 -4.194 -5.994 -3.285 1.00 73.13 H new ATOM 0 HA ILE A 174 -6.309 -5.037 -5.105 1.00 64.12 H new ATOM 0 HB ILE A 174 -4.305 -3.433 -3.467 1.00 54.42 H new ATOM 0 HG12 ILE A 174 -6.952 -4.292 -2.944 1.00 22.53 H new ATOM 0 HG13 ILE A 174 -5.972 -3.184 -2.005 1.00 22.53 H new ATOM 0 HG21 ILE A 174 -5.260 -1.441 -4.557 1.00 4.41 H new ATOM 0 HG22 ILE A 174 -4.465 -2.516 -5.732 1.00 4.41 H new ATOM 0 HG23 ILE A 174 -6.240 -2.491 -5.609 1.00 4.41 H new ATOM 0 HD11 ILE A 174 -8.127 -2.180 -2.575 1.00 34.14 H new ATOM 0 HD12 ILE A 174 -6.798 -1.289 -3.354 1.00 34.14 H new ATOM 0 HD13 ILE A 174 -7.793 -2.414 -4.307 1.00 34.14 H new ATOM 1370 N PRO A 175 -4.739 -4.897 -7.041 1.00 73.43 N ATOM 1371 CA PRO A 175 -3.862 -4.943 -8.214 1.00 62.34 C ATOM 1372 C PRO A 175 -3.021 -3.680 -8.358 1.00 44.23 C ATOM 1373 O PRO A 175 -3.455 -2.589 -7.990 1.00 70.34 O ATOM 1374 CB PRO A 175 -4.840 -5.070 -9.384 1.00 31.10 C ATOM 1375 CG PRO A 175 -6.109 -4.471 -8.884 1.00 14.25 C ATOM 1376 CD PRO A 175 -6.158 -4.776 -7.411 1.00 53.44 C ATOM 0 HA PRO A 175 -3.142 -5.759 -8.152 1.00 62.34 H new ATOM 0 HB2 PRO A 175 -4.474 -4.543 -10.265 1.00 31.10 H new ATOM 0 HB3 PRO A 175 -4.980 -6.112 -9.671 1.00 31.10 H new ATOM 0 HG2 PRO A 175 -6.129 -3.396 -9.061 1.00 14.25 H new ATOM 0 HG3 PRO A 175 -6.971 -4.895 -9.399 1.00 14.25 H new ATOM 0 HD2 PRO A 175 -6.653 -3.981 -6.852 1.00 53.44 H new ATOM 0 HD3 PRO A 175 -6.706 -5.696 -7.209 1.00 53.44 H new ATOM 1384 N GLU A 176 -1.814 -3.835 -8.896 1.00 75.42 N ATOM 1385 CA GLU A 176 -0.912 -2.706 -9.089 1.00 33.45 C ATOM 1386 C GLU A 176 -1.128 -2.064 -10.456 1.00 11.43 C ATOM 1387 O GLU A 176 -2.029 -2.452 -11.202 1.00 24.02 O ATOM 1388 CB GLU A 176 0.543 -3.157 -8.948 1.00 54.43 C ATOM 1389 CG GLU A 176 0.798 -4.016 -7.722 1.00 21.41 C ATOM 1390 CD GLU A 176 1.317 -5.397 -8.075 1.00 23.13 C ATOM 1391 OE1 GLU A 176 2.536 -5.531 -8.308 1.00 45.34 O ATOM 1392 OE2 GLU A 176 0.503 -6.343 -8.117 1.00 71.12 O ATOM 0 H GLU A 176 -1.439 -4.732 -9.206 1.00 75.42 H new ATOM 0 HA GLU A 176 -1.130 -1.964 -8.321 1.00 33.45 H new ATOM 0 HB2 GLU A 176 0.829 -3.716 -9.839 1.00 54.43 H new ATOM 0 HB3 GLU A 176 1.185 -2.277 -8.904 1.00 54.43 H new ATOM 0 HG2 GLU A 176 1.519 -3.515 -7.076 1.00 21.41 H new ATOM 0 HG3 GLU A 176 -0.126 -4.114 -7.153 1.00 21.41 H new