USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 658 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 305 ASN : amide:sc= 1.49 K(o=1.7,f=-5.1!) USER MOD Set 1.2: A 332 SER OG : rot 78:sc= 0.173 USER MOD Set 2.1: A 265 SER OG : rot -103:sc= 1.5 USER MOD Set 2.2: A 282 SER OG : rot 48:sc= 0.976 USER MOD Single : A 248 ASN : amide:sc= -0.171 K(o=-0.17,f=-2.6!) USER MOD Single : A 251 THR OG1 : rot 180:sc= 0 USER MOD Single : A 253 THR OG1 : rot 180:sc= 0 USER MOD Single : A 255 ASN : amide:sc= -0.315 K(o=-0.32,f=-10!) USER MOD Single : A 256 MET CE :methyl -172:sc= 0 (180deg=-0.044) USER MOD Single : A 259 HIS : no HD1:sc= -0.491 X(o=-0.49,f=-0.2) USER MOD Single : A 260 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 269 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 279 TYR OH : rot -101:sc= 0.0223 USER MOD Single : A 284 MET CE :methyl 152:sc= -0.142 (180deg=-0.402) USER MOD Single : A 285 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0835) USER MOD Single : A 300 MET CE :methyl 134:sc= -0.0499 (180deg=-0.326) USER MOD Single : A 303 GLN :FLIP amide:sc= -0.0413 F(o=-1.4!,f=-0.041) USER MOD Single : A 308 ASN : amide:sc= 1.16 K(o=1.2,f=-15!) USER MOD Single : A 311 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 312 MET CE :methyl 171:sc= -0.624 (180deg=-0.739) USER MOD Single : A 313 SER OG : rot 180:sc= -0.0536 USER MOD Single : A 314 ASN : amide:sc= 0.71 K(o=0.71,f=-0.35) USER MOD Single : A 326 SER OG : rot 79:sc= 1.26 USER MOD Single : A 327 GLN :FLIP amide:sc= -0.0715 F(o=-0.89,f=-0.072) USER MOD Single : A 328 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 334 THR OG1 : rot 84:sc= 0.971 USER MOD Single : A 337 LYS NZ :NH3+ 175:sc= 1.77 (180deg=1.51) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 248 3.378 -13.729 -7.553 1.00 0.52 N ATOM 2 CA ASN A 248 2.006 -13.497 -8.056 1.00 0.49 C ATOM 3 C ASN A 248 1.630 -12.036 -7.876 1.00 0.44 C ATOM 4 O ASN A 248 1.352 -11.583 -6.765 1.00 0.47 O ATOM 5 CB ASN A 248 0.999 -14.390 -7.321 1.00 0.57 C ATOM 6 CG ASN A 248 -0.340 -14.481 -8.036 1.00 0.70 C ATOM 7 OD1 ASN A 248 -0.752 -13.561 -8.737 1.00 0.99 O ATOM 8 ND2 ASN A 248 -1.031 -15.598 -7.863 1.00 1.26 N ATOM 0 HA ASN A 248 1.980 -13.749 -9.116 1.00 0.49 H new ATOM 0 HB2 ASN A 248 1.418 -15.391 -7.215 1.00 0.57 H new ATOM 0 HB3 ASN A 248 0.843 -14.001 -6.315 1.00 0.57 H new ATOM 0 HD21 ASN A 248 -1.936 -15.714 -8.319 1.00 1.26 H new ATOM 0 HD22 ASN A 248 -0.658 -16.342 -7.273 1.00 1.26 H new ATOM 17 N ILE A 249 1.636 -11.301 -8.971 1.00 0.45 N ATOM 18 CA ILE A 249 1.300 -9.889 -8.952 1.00 0.43 C ATOM 19 C ILE A 249 -0.197 -9.704 -9.154 1.00 0.42 C ATOM 20 O ILE A 249 -0.737 -10.049 -10.209 1.00 0.50 O ATOM 21 CB ILE A 249 2.067 -9.121 -10.048 1.00 0.47 C ATOM 22 CG1 ILE A 249 3.572 -9.331 -9.881 1.00 0.54 C ATOM 23 CG2 ILE A 249 1.726 -7.637 -10.004 1.00 0.50 C ATOM 24 CD1 ILE A 249 4.388 -8.779 -11.026 1.00 0.65 C ATOM 0 H ILE A 249 1.873 -11.663 -9.895 1.00 0.45 H new ATOM 0 HA ILE A 249 1.589 -9.488 -7.981 1.00 0.43 H new ATOM 0 HB ILE A 249 1.765 -9.509 -11.021 1.00 0.47 H new ATOM 0 HG12 ILE A 249 3.896 -8.859 -8.954 1.00 0.54 H new ATOM 0 HG13 ILE A 249 3.773 -10.398 -9.783 1.00 0.54 H new ATOM 0 HG21 ILE A 249 2.278 -7.114 -10.785 1.00 0.50 H new ATOM 0 HG22 ILE A 249 0.656 -7.505 -10.164 1.00 0.50 H new ATOM 0 HG23 ILE A 249 2.000 -7.229 -9.031 1.00 0.50 H new ATOM 0 HD11 ILE A 249 5.446 -8.963 -10.841 1.00 0.65 H new ATOM 0 HD12 ILE A 249 4.091 -9.269 -11.953 1.00 0.65 H new ATOM 0 HD13 ILE A 249 4.216 -7.706 -11.111 1.00 0.65 H new ATOM 36 N ILE A 250 -0.869 -9.178 -8.139 1.00 0.39 N ATOM 37 CA ILE A 250 -2.305 -8.960 -8.211 1.00 0.41 C ATOM 38 C ILE A 250 -2.648 -7.488 -8.013 1.00 0.37 C ATOM 39 O ILE A 250 -2.160 -6.840 -7.084 1.00 0.36 O ATOM 40 CB ILE A 250 -3.062 -9.803 -7.158 1.00 0.44 C ATOM 41 CG1 ILE A 250 -2.662 -11.279 -7.260 1.00 0.48 C ATOM 42 CG2 ILE A 250 -4.567 -9.646 -7.334 1.00 0.55 C ATOM 43 CD1 ILE A 250 -3.382 -12.179 -6.278 1.00 0.54 C ATOM 0 H ILE A 250 -0.442 -8.895 -7.257 1.00 0.39 H new ATOM 0 HA ILE A 250 -2.621 -9.273 -9.206 1.00 0.41 H new ATOM 0 HB ILE A 250 -2.789 -9.441 -6.167 1.00 0.44 H new ATOM 0 HG12 ILE A 250 -2.861 -11.630 -8.273 1.00 0.48 H new ATOM 0 HG13 ILE A 250 -1.588 -11.366 -7.098 1.00 0.48 H new ATOM 0 HG21 ILE A 250 -5.085 -10.245 -6.586 1.00 0.55 H new ATOM 0 HG22 ILE A 250 -4.840 -8.598 -7.212 1.00 0.55 H new ATOM 0 HG23 ILE A 250 -4.854 -9.982 -8.330 1.00 0.55 H new ATOM 0 HD11 ILE A 250 -3.045 -13.207 -6.412 1.00 0.54 H new ATOM 0 HD12 ILE A 250 -3.164 -11.855 -5.260 1.00 0.54 H new ATOM 0 HD13 ILE A 250 -4.456 -12.123 -6.454 1.00 0.54 H new ATOM 55 N THR A 251 -3.470 -6.966 -8.906 1.00 0.40 N ATOM 56 CA THR A 251 -3.906 -5.585 -8.833 1.00 0.39 C ATOM 57 C THR A 251 -5.348 -5.533 -8.330 1.00 0.40 C ATOM 58 O THR A 251 -6.289 -5.819 -9.075 1.00 0.48 O ATOM 59 CB THR A 251 -3.802 -4.892 -10.209 1.00 0.46 C ATOM 60 OG1 THR A 251 -2.524 -5.174 -10.802 1.00 0.59 O ATOM 61 CG2 THR A 251 -3.981 -3.388 -10.076 1.00 0.47 C ATOM 0 H THR A 251 -3.851 -7.485 -9.697 1.00 0.40 H new ATOM 0 HA THR A 251 -3.254 -5.053 -8.140 1.00 0.39 H new ATOM 0 HB THR A 251 -4.596 -5.280 -10.847 1.00 0.46 H new ATOM 0 HG1 THR A 251 -2.464 -4.733 -11.675 1.00 0.59 H new ATOM 0 HG21 THR A 251 -3.903 -2.924 -11.059 1.00 0.47 H new ATOM 0 HG22 THR A 251 -4.962 -3.175 -9.650 1.00 0.47 H new ATOM 0 HG23 THR A 251 -3.207 -2.986 -9.423 1.00 0.47 H new ATOM 69 N VAL A 252 -5.519 -5.190 -7.060 1.00 0.36 N ATOM 70 CA VAL A 252 -6.848 -5.128 -6.464 1.00 0.38 C ATOM 71 C VAL A 252 -7.460 -3.737 -6.610 1.00 0.35 C ATOM 72 O VAL A 252 -6.746 -2.737 -6.709 1.00 0.39 O ATOM 73 CB VAL A 252 -6.820 -5.520 -4.970 1.00 0.41 C ATOM 74 CG1 VAL A 252 -6.228 -6.909 -4.795 1.00 0.50 C ATOM 75 CG2 VAL A 252 -6.044 -4.500 -4.154 1.00 0.40 C ATOM 0 H VAL A 252 -4.758 -4.951 -6.424 1.00 0.36 H new ATOM 0 HA VAL A 252 -7.465 -5.846 -7.004 1.00 0.38 H new ATOM 0 HB VAL A 252 -7.846 -5.533 -4.604 1.00 0.41 H new ATOM 0 HG11 VAL A 252 -6.216 -7.169 -3.736 1.00 0.50 H new ATOM 0 HG12 VAL A 252 -6.833 -7.634 -5.340 1.00 0.50 H new ATOM 0 HG13 VAL A 252 -5.210 -6.922 -5.183 1.00 0.50 H new ATOM 0 HG21 VAL A 252 -6.040 -4.800 -3.106 1.00 0.40 H new ATOM 0 HG22 VAL A 252 -5.019 -4.445 -4.520 1.00 0.40 H new ATOM 0 HG23 VAL A 252 -6.516 -3.522 -4.250 1.00 0.40 H new ATOM 85 N THR A 253 -8.784 -3.687 -6.645 1.00 0.39 N ATOM 86 CA THR A 253 -9.506 -2.434 -6.759 1.00 0.40 C ATOM 87 C THR A 253 -10.286 -2.182 -5.472 1.00 0.39 C ATOM 88 O THR A 253 -11.052 -3.035 -5.021 1.00 0.54 O ATOM 89 CB THR A 253 -10.457 -2.436 -7.985 1.00 0.50 C ATOM 90 OG1 THR A 253 -11.216 -1.221 -8.037 1.00 0.76 O ATOM 91 CG2 THR A 253 -11.408 -3.629 -7.960 1.00 0.79 C ATOM 0 H THR A 253 -9.383 -4.511 -6.595 1.00 0.39 H new ATOM 0 HA THR A 253 -8.786 -1.630 -6.911 1.00 0.40 H new ATOM 0 HB THR A 253 -9.833 -2.513 -8.875 1.00 0.50 H new ATOM 0 HG1 THR A 253 -11.809 -1.239 -8.817 1.00 0.76 H new ATOM 0 HG21 THR A 253 -12.058 -3.595 -8.835 1.00 0.79 H new ATOM 0 HG22 THR A 253 -10.832 -4.554 -7.972 1.00 0.79 H new ATOM 0 HG23 THR A 253 -12.015 -3.591 -7.056 1.00 0.79 H new ATOM 99 N LEU A 254 -10.067 -1.029 -4.861 1.00 0.33 N ATOM 100 CA LEU A 254 -10.742 -0.704 -3.617 1.00 0.35 C ATOM 101 C LEU A 254 -11.678 0.487 -3.776 1.00 0.35 C ATOM 102 O LEU A 254 -11.335 1.485 -4.416 1.00 0.37 O ATOM 103 CB LEU A 254 -9.713 -0.429 -2.520 1.00 0.36 C ATOM 104 CG LEU A 254 -8.776 -1.599 -2.206 1.00 0.39 C ATOM 105 CD1 LEU A 254 -7.754 -1.199 -1.163 1.00 0.46 C ATOM 106 CD2 LEU A 254 -9.566 -2.809 -1.735 1.00 0.45 C ATOM 0 H LEU A 254 -9.432 -0.308 -5.204 1.00 0.33 H new ATOM 0 HA LEU A 254 -11.351 -1.563 -3.334 1.00 0.35 H new ATOM 0 HB2 LEU A 254 -9.111 0.431 -2.814 1.00 0.36 H new ATOM 0 HB3 LEU A 254 -10.241 -0.151 -1.608 1.00 0.36 H new ATOM 0 HG LEU A 254 -8.249 -1.867 -3.122 1.00 0.39 H new ATOM 0 HD11 LEU A 254 -7.098 -2.044 -0.954 1.00 0.46 H new ATOM 0 HD12 LEU A 254 -7.162 -0.363 -1.536 1.00 0.46 H new ATOM 0 HD13 LEU A 254 -8.266 -0.902 -0.248 1.00 0.46 H new ATOM 0 HD21 LEU A 254 -8.881 -3.629 -1.517 1.00 0.45 H new ATOM 0 HD22 LEU A 254 -10.122 -2.552 -0.834 1.00 0.45 H new ATOM 0 HD23 LEU A 254 -10.262 -3.115 -2.516 1.00 0.45 H new ATOM 118 N ASN A 255 -12.863 0.361 -3.188 1.00 0.40 N ATOM 119 CA ASN A 255 -13.876 1.407 -3.231 1.00 0.44 C ATOM 120 C ASN A 255 -13.717 2.335 -2.033 1.00 0.40 C ATOM 121 O ASN A 255 -13.859 1.914 -0.882 1.00 0.39 O ATOM 122 CB ASN A 255 -15.276 0.777 -3.239 1.00 0.50 C ATOM 123 CG ASN A 255 -16.390 1.790 -3.036 1.00 0.55 C ATOM 124 OD1 ASN A 255 -16.728 2.139 -1.904 1.00 0.52 O ATOM 125 ND2 ASN A 255 -16.975 2.263 -4.126 1.00 0.65 N ATOM 0 H ASN A 255 -13.147 -0.469 -2.668 1.00 0.40 H new ATOM 0 HA ASN A 255 -13.750 1.991 -4.143 1.00 0.44 H new ATOM 0 HB2 ASN A 255 -15.430 0.262 -4.187 1.00 0.50 H new ATOM 0 HB3 ASN A 255 -15.332 0.023 -2.454 1.00 0.50 H new ATOM 0 HD21 ASN A 255 -17.733 2.940 -4.045 1.00 0.65 H new ATOM 0 HD22 ASN A 255 -16.667 1.950 -5.047 1.00 0.65 H new ATOM 132 N MET A 256 -13.425 3.600 -2.306 1.00 0.41 N ATOM 133 CA MET A 256 -13.234 4.587 -1.249 1.00 0.41 C ATOM 134 C MET A 256 -14.524 5.351 -0.952 1.00 0.44 C ATOM 135 O MET A 256 -14.491 6.495 -0.499 1.00 0.49 O ATOM 136 CB MET A 256 -12.115 5.560 -1.628 1.00 0.43 C ATOM 137 CG MET A 256 -10.753 4.896 -1.758 1.00 0.45 C ATOM 138 SD MET A 256 -10.218 4.094 -0.233 1.00 0.56 S ATOM 139 CE MET A 256 -9.765 5.514 0.759 1.00 0.63 C ATOM 0 H MET A 256 -13.315 3.968 -3.251 1.00 0.41 H new ATOM 0 HA MET A 256 -12.950 4.052 -0.343 1.00 0.41 H new ATOM 0 HB2 MET A 256 -12.367 6.042 -2.573 1.00 0.43 H new ATOM 0 HB3 MET A 256 -12.057 6.346 -0.875 1.00 0.43 H new ATOM 0 HG2 MET A 256 -10.789 4.157 -2.558 1.00 0.45 H new ATOM 0 HG3 MET A 256 -10.015 5.644 -2.048 1.00 0.45 H new ATOM 0 HE1 MET A 256 -9.282 5.178 1.676 1.00 0.63 H new ATOM 0 HE2 MET A 256 -9.077 6.146 0.197 1.00 0.63 H new ATOM 0 HE3 MET A 256 -10.660 6.084 1.008 1.00 0.63 H new ATOM 149 N GLU A 257 -15.659 4.717 -1.216 1.00 0.46 N ATOM 150 CA GLU A 257 -16.954 5.325 -0.949 1.00 0.51 C ATOM 151 C GLU A 257 -17.510 4.784 0.360 1.00 0.49 C ATOM 152 O GLU A 257 -17.908 5.541 1.245 1.00 0.56 O ATOM 153 CB GLU A 257 -17.932 5.036 -2.088 1.00 0.56 C ATOM 154 CG GLU A 257 -17.815 6.007 -3.250 1.00 0.67 C ATOM 155 CD GLU A 257 -18.105 7.436 -2.842 1.00 0.86 C ATOM 156 OE1 GLU A 257 -19.001 7.653 -1.998 1.00 1.23 O ATOM 157 OE2 GLU A 257 -17.436 8.351 -3.363 1.00 1.27 O ATOM 0 H GLU A 257 -15.708 3.780 -1.616 1.00 0.46 H new ATOM 0 HA GLU A 257 -16.825 6.405 -0.872 1.00 0.51 H new ATOM 0 HB2 GLU A 257 -17.763 4.023 -2.453 1.00 0.56 H new ATOM 0 HB3 GLU A 257 -18.950 5.069 -1.699 1.00 0.56 H new ATOM 0 HG2 GLU A 257 -16.810 5.949 -3.668 1.00 0.67 H new ATOM 0 HG3 GLU A 257 -18.506 5.710 -4.039 1.00 0.67 H new ATOM 164 N ARG A 258 -17.513 3.466 0.476 1.00 0.45 N ATOM 165 CA ARG A 258 -18.004 2.801 1.673 1.00 0.45 C ATOM 166 C ARG A 258 -16.919 2.790 2.746 1.00 0.43 C ATOM 167 O ARG A 258 -17.197 2.634 3.935 1.00 0.63 O ATOM 168 CB ARG A 258 -18.430 1.373 1.332 1.00 0.48 C ATOM 169 CG ARG A 258 -19.089 0.629 2.481 1.00 0.56 C ATOM 170 CD ARG A 258 -19.430 -0.797 2.090 1.00 0.64 C ATOM 171 NE ARG A 258 -19.843 -1.602 3.239 1.00 0.75 N ATOM 172 CZ ARG A 258 -20.321 -2.843 3.153 1.00 0.86 C ATOM 173 NH1 ARG A 258 -20.460 -3.432 1.968 1.00 1.01 N ATOM 174 NH2 ARG A 258 -20.655 -3.499 4.257 1.00 1.06 N ATOM 0 H ARG A 258 -17.179 2.832 -0.249 1.00 0.45 H new ATOM 0 HA ARG A 258 -18.867 3.344 2.057 1.00 0.45 H new ATOM 0 HB2 ARG A 258 -19.121 1.403 0.490 1.00 0.48 H new ATOM 0 HB3 ARG A 258 -17.554 0.812 1.006 1.00 0.48 H new ATOM 0 HG2 ARG A 258 -18.422 0.623 3.343 1.00 0.56 H new ATOM 0 HG3 ARG A 258 -19.996 1.152 2.784 1.00 0.56 H new ATOM 0 HD2 ARG A 258 -20.230 -0.787 1.349 1.00 0.64 H new ATOM 0 HD3 ARG A 258 -18.563 -1.259 1.617 1.00 0.64 H new ATOM 0 HE ARG A 258 -19.760 -1.186 4.167 1.00 0.75 H new ATOM 0 HH11 ARG A 258 -20.200 -2.933 1.117 1.00 1.01 H new ATOM 0 HH12 ARG A 258 -20.827 -4.382 1.911 1.00 1.01 H new ATOM 0 HH21 ARG A 258 -20.546 -3.053 5.168 1.00 1.06 H new ATOM 0 HH22 ARG A 258 -21.021 -4.449 4.195 1.00 1.06 H new ATOM 188 N HIS A 259 -15.679 2.959 2.311 1.00 0.37 N ATOM 189 CA HIS A 259 -14.543 2.975 3.219 1.00 0.35 C ATOM 190 C HIS A 259 -13.820 4.311 3.126 1.00 0.40 C ATOM 191 O HIS A 259 -13.572 4.814 2.035 1.00 0.63 O ATOM 192 CB HIS A 259 -13.595 1.815 2.910 1.00 0.38 C ATOM 193 CG HIS A 259 -14.177 0.482 3.264 1.00 0.46 C ATOM 194 ND1 HIS A 259 -14.580 -0.444 2.324 1.00 0.61 N ATOM 195 CD2 HIS A 259 -14.443 -0.071 4.471 1.00 0.58 C ATOM 196 CE1 HIS A 259 -15.073 -1.504 2.940 1.00 0.76 C ATOM 197 NE2 HIS A 259 -14.998 -1.302 4.241 1.00 0.75 N ATOM 0 H HIS A 259 -15.434 3.088 1.329 1.00 0.37 H new ATOM 0 HA HIS A 259 -14.904 2.850 4.240 1.00 0.35 H new ATOM 0 HB2 HIS A 259 -13.346 1.828 1.849 1.00 0.38 H new ATOM 0 HB3 HIS A 259 -12.663 1.957 3.458 1.00 0.38 H new ATOM 0 HD2 HIS A 259 -14.253 0.376 5.436 1.00 0.58 H new ATOM 0 HE1 HIS A 259 -15.470 -2.386 2.460 1.00 0.76 H new ATOM 0 HE2 HIS A 259 -15.304 -1.957 4.960 1.00 0.75 H new ATOM 206 N HIS A 260 -13.497 4.885 4.275 1.00 0.36 N ATOM 207 CA HIS A 260 -12.835 6.184 4.317 1.00 0.42 C ATOM 208 C HIS A 260 -11.314 6.063 4.378 1.00 0.35 C ATOM 209 O HIS A 260 -10.607 7.063 4.255 1.00 0.42 O ATOM 210 CB HIS A 260 -13.333 6.992 5.520 1.00 0.56 C ATOM 211 CG HIS A 260 -14.822 7.189 5.549 1.00 0.71 C ATOM 212 ND1 HIS A 260 -15.545 7.666 4.476 1.00 0.97 N ATOM 213 CD2 HIS A 260 -15.726 6.960 6.531 1.00 0.88 C ATOM 214 CE1 HIS A 260 -16.823 7.721 4.798 1.00 1.09 C ATOM 215 NE2 HIS A 260 -16.962 7.297 6.038 1.00 1.01 N ATOM 0 H HIS A 260 -13.681 4.474 5.190 1.00 0.36 H new ATOM 0 HA HIS A 260 -13.088 6.699 3.390 1.00 0.42 H new ATOM 0 HB2 HIS A 260 -13.026 6.487 6.436 1.00 0.56 H new ATOM 0 HB3 HIS A 260 -12.848 7.968 5.515 1.00 0.56 H new ATOM 0 HD2 HIS A 260 -15.514 6.582 7.520 1.00 0.88 H new ATOM 0 HE1 HIS A 260 -17.622 8.057 4.153 1.00 1.09 H new ATOM 0 HE2 HIS A 260 -17.843 7.230 6.548 1.00 1.01 H new ATOM 224 N PHE A 261 -10.809 4.852 4.559 1.00 0.30 N ATOM 225 CA PHE A 261 -9.370 4.645 4.633 1.00 0.25 C ATOM 226 C PHE A 261 -8.991 3.248 4.156 1.00 0.21 C ATOM 227 O PHE A 261 -9.861 2.396 3.939 1.00 0.22 O ATOM 228 CB PHE A 261 -8.853 4.893 6.059 1.00 0.28 C ATOM 229 CG PHE A 261 -9.459 4.003 7.115 1.00 0.32 C ATOM 230 CD1 PHE A 261 -10.672 4.325 7.708 1.00 0.52 C ATOM 231 CD2 PHE A 261 -8.806 2.851 7.525 1.00 0.36 C ATOM 232 CE1 PHE A 261 -11.218 3.513 8.684 1.00 0.62 C ATOM 233 CE2 PHE A 261 -9.349 2.037 8.500 1.00 0.44 C ATOM 234 CZ PHE A 261 -10.557 2.368 9.080 1.00 0.52 C ATOM 0 H PHE A 261 -11.368 4.004 4.657 1.00 0.30 H new ATOM 0 HA PHE A 261 -8.895 5.367 3.969 1.00 0.25 H new ATOM 0 HB2 PHE A 261 -7.771 4.758 6.067 1.00 0.28 H new ATOM 0 HB3 PHE A 261 -9.046 5.932 6.325 1.00 0.28 H new ATOM 0 HD1 PHE A 261 -11.195 5.220 7.403 1.00 0.52 H new ATOM 0 HD2 PHE A 261 -7.860 2.586 7.076 1.00 0.36 H new ATOM 0 HE1 PHE A 261 -12.163 3.775 9.137 1.00 0.62 H new ATOM 0 HE2 PHE A 261 -8.829 1.142 8.808 1.00 0.44 H new ATOM 0 HZ PHE A 261 -10.984 1.733 9.842 1.00 0.52 H new ATOM 244 N LEU A 262 -7.692 3.020 4.004 1.00 0.17 N ATOM 245 CA LEU A 262 -7.179 1.739 3.541 1.00 0.14 C ATOM 246 C LEU A 262 -7.177 0.724 4.677 1.00 0.12 C ATOM 247 O LEU A 262 -7.740 -0.367 4.548 1.00 0.14 O ATOM 248 CB LEU A 262 -5.764 1.907 2.968 1.00 0.14 C ATOM 249 CG LEU A 262 -5.689 2.340 1.498 1.00 0.19 C ATOM 250 CD1 LEU A 262 -4.357 1.924 0.891 1.00 0.23 C ATOM 251 CD2 LEU A 262 -6.842 1.755 0.693 1.00 0.34 C ATOM 0 H LEU A 262 -6.970 3.714 4.197 1.00 0.17 H new ATOM 0 HA LEU A 262 -7.832 1.369 2.750 1.00 0.14 H new ATOM 0 HB2 LEU A 262 -5.232 2.642 3.572 1.00 0.14 H new ATOM 0 HB3 LEU A 262 -5.233 0.961 3.077 1.00 0.14 H new ATOM 0 HG LEU A 262 -5.769 3.426 1.463 1.00 0.19 H new ATOM 0 HD11 LEU A 262 -4.319 2.238 -0.152 1.00 0.23 H new ATOM 0 HD12 LEU A 262 -3.543 2.395 1.442 1.00 0.23 H new ATOM 0 HD13 LEU A 262 -4.254 0.840 0.948 1.00 0.23 H new ATOM 0 HD21 LEU A 262 -6.762 2.079 -0.345 1.00 0.34 H new ATOM 0 HD22 LEU A 262 -6.801 0.667 0.737 1.00 0.34 H new ATOM 0 HD23 LEU A 262 -7.788 2.100 1.109 1.00 0.34 H new ATOM 263 N GLY A 263 -6.550 1.093 5.783 1.00 0.11 N ATOM 264 CA GLY A 263 -6.496 0.224 6.940 1.00 0.12 C ATOM 265 C GLY A 263 -5.295 -0.695 6.925 1.00 0.11 C ATOM 266 O GLY A 263 -5.403 -1.870 7.275 1.00 0.14 O ATOM 0 H GLY A 263 -6.073 1.987 5.900 1.00 0.11 H new ATOM 0 HA2 GLY A 263 -6.472 0.832 7.845 1.00 0.12 H new ATOM 0 HA3 GLY A 263 -7.406 -0.375 6.982 1.00 0.12 H new ATOM 270 N ILE A 264 -4.148 -0.168 6.525 1.00 0.09 N ATOM 271 CA ILE A 264 -2.930 -0.960 6.472 1.00 0.09 C ATOM 272 C ILE A 264 -1.743 -0.211 7.059 1.00 0.08 C ATOM 273 O ILE A 264 -1.694 1.024 7.059 1.00 0.11 O ATOM 274 CB ILE A 264 -2.577 -1.387 5.034 1.00 0.12 C ATOM 275 CG1 ILE A 264 -2.734 -0.209 4.067 1.00 0.14 C ATOM 276 CG2 ILE A 264 -3.435 -2.569 4.601 1.00 0.17 C ATOM 277 CD1 ILE A 264 -2.276 -0.514 2.656 1.00 0.18 C ATOM 0 H ILE A 264 -4.036 0.803 6.233 1.00 0.09 H new ATOM 0 HA ILE A 264 -3.131 -1.849 7.070 1.00 0.09 H new ATOM 0 HB ILE A 264 -1.534 -1.702 5.013 1.00 0.12 H new ATOM 0 HG12 ILE A 264 -3.781 0.092 4.042 1.00 0.14 H new ATOM 0 HG13 ILE A 264 -2.167 0.640 4.448 1.00 0.14 H new ATOM 0 HG21 ILE A 264 -3.171 -2.856 3.583 1.00 0.17 H new ATOM 0 HG22 ILE A 264 -3.261 -3.410 5.272 1.00 0.17 H new ATOM 0 HG23 ILE A 264 -4.487 -2.287 4.638 1.00 0.17 H new ATOM 0 HD11 ILE A 264 -2.417 0.366 2.029 1.00 0.18 H new ATOM 0 HD12 ILE A 264 -1.221 -0.786 2.667 1.00 0.18 H new ATOM 0 HD13 ILE A 264 -2.860 -1.342 2.255 1.00 0.18 H new ATOM 289 N SER A 265 -0.795 -0.980 7.574 1.00 0.09 N ATOM 290 CA SER A 265 0.421 -0.433 8.149 1.00 0.12 C ATOM 291 C SER A 265 1.548 -0.571 7.136 1.00 0.11 C ATOM 292 O SER A 265 1.790 -1.663 6.622 1.00 0.19 O ATOM 293 CB SER A 265 0.775 -1.185 9.433 1.00 0.20 C ATOM 294 OG SER A 265 -0.308 -2.003 9.853 1.00 1.00 O ATOM 0 H SER A 265 -0.848 -1.998 7.604 1.00 0.09 H new ATOM 0 HA SER A 265 0.273 0.619 8.393 1.00 0.12 H new ATOM 0 HB2 SER A 265 1.659 -1.801 9.267 1.00 0.20 H new ATOM 0 HB3 SER A 265 1.025 -0.473 10.220 1.00 0.20 H new ATOM 0 HG SER A 265 -0.772 -1.572 10.601 1.00 1.00 H new ATOM 300 N ILE A 266 2.221 0.522 6.832 1.00 0.10 N ATOM 301 CA ILE A 266 3.303 0.480 5.865 1.00 0.11 C ATOM 302 C ILE A 266 4.645 0.342 6.573 1.00 0.13 C ATOM 303 O ILE A 266 5.058 1.224 7.323 1.00 0.28 O ATOM 304 CB ILE A 266 3.323 1.732 4.957 1.00 0.13 C ATOM 305 CG1 ILE A 266 1.899 2.177 4.588 1.00 0.14 C ATOM 306 CG2 ILE A 266 4.131 1.452 3.699 1.00 0.19 C ATOM 307 CD1 ILE A 266 1.086 1.102 3.905 1.00 0.16 C ATOM 0 H ILE A 266 2.041 1.441 7.235 1.00 0.10 H new ATOM 0 HA ILE A 266 3.130 -0.390 5.232 1.00 0.11 H new ATOM 0 HB ILE A 266 3.794 2.544 5.511 1.00 0.13 H new ATOM 0 HG12 ILE A 266 1.380 2.493 5.493 1.00 0.14 H new ATOM 0 HG13 ILE A 266 1.957 3.047 3.934 1.00 0.14 H new ATOM 0 HG21 ILE A 266 4.139 2.340 3.067 1.00 0.19 H new ATOM 0 HG22 ILE A 266 5.154 1.193 3.973 1.00 0.19 H new ATOM 0 HG23 ILE A 266 3.680 0.622 3.154 1.00 0.19 H new ATOM 0 HD11 ILE A 266 0.093 1.488 3.675 1.00 0.16 H new ATOM 0 HD12 ILE A 266 1.582 0.802 2.982 1.00 0.16 H new ATOM 0 HD13 ILE A 266 0.996 0.239 4.565 1.00 0.16 H new ATOM 319 N VAL A 267 5.308 -0.781 6.354 1.00 0.12 N ATOM 320 CA VAL A 267 6.603 -1.033 6.966 1.00 0.14 C ATOM 321 C VAL A 267 7.698 -1.007 5.907 1.00 0.14 C ATOM 322 O VAL A 267 7.810 -1.922 5.088 1.00 0.23 O ATOM 323 CB VAL A 267 6.628 -2.387 7.709 1.00 0.24 C ATOM 324 CG1 VAL A 267 8.002 -2.652 8.310 1.00 0.29 C ATOM 325 CG2 VAL A 267 5.557 -2.421 8.789 1.00 0.31 C ATOM 0 H VAL A 267 4.970 -1.535 5.756 1.00 0.12 H new ATOM 0 HA VAL A 267 6.782 -0.244 7.696 1.00 0.14 H new ATOM 0 HB VAL A 267 6.417 -3.175 6.986 1.00 0.24 H new ATOM 0 HG11 VAL A 267 7.994 -3.611 8.828 1.00 0.29 H new ATOM 0 HG12 VAL A 267 8.748 -2.675 7.516 1.00 0.29 H new ATOM 0 HG13 VAL A 267 8.249 -1.860 9.017 1.00 0.29 H new ATOM 0 HG21 VAL A 267 5.589 -3.382 9.303 1.00 0.31 H new ATOM 0 HG22 VAL A 267 5.738 -1.620 9.506 1.00 0.31 H new ATOM 0 HG23 VAL A 267 4.576 -2.285 8.333 1.00 0.31 H new ATOM 335 N GLY A 268 8.483 0.060 5.911 1.00 0.17 N ATOM 336 CA GLY A 268 9.558 0.190 4.953 1.00 0.23 C ATOM 337 C GLY A 268 10.806 -0.531 5.408 1.00 0.23 C ATOM 338 O GLY A 268 11.342 -0.233 6.478 1.00 0.37 O ATOM 0 H GLY A 268 8.393 0.839 6.563 1.00 0.17 H new ATOM 0 HA2 GLY A 268 9.238 -0.210 3.991 1.00 0.23 H new ATOM 0 HA3 GLY A 268 9.783 1.246 4.801 1.00 0.23 H new ATOM 342 N GLN A 269 11.261 -1.486 4.608 1.00 0.27 N ATOM 343 CA GLN A 269 12.456 -2.254 4.928 1.00 0.34 C ATOM 344 C GLN A 269 13.672 -1.338 4.953 1.00 0.38 C ATOM 345 O GLN A 269 14.174 -0.927 3.907 1.00 0.50 O ATOM 346 CB GLN A 269 12.662 -3.380 3.910 1.00 0.49 C ATOM 347 CG GLN A 269 13.828 -4.300 4.243 1.00 0.67 C ATOM 348 CD GLN A 269 14.015 -5.398 3.216 1.00 1.19 C ATOM 349 OE1 GLN A 269 13.395 -6.457 3.304 1.00 1.81 O ATOM 350 NE2 GLN A 269 14.889 -5.162 2.250 1.00 1.87 N ATOM 0 H GLN A 269 10.817 -1.748 3.728 1.00 0.27 H new ATOM 0 HA GLN A 269 12.328 -2.701 5.914 1.00 0.34 H new ATOM 0 HB2 GLN A 269 11.749 -3.973 3.847 1.00 0.49 H new ATOM 0 HB3 GLN A 269 12.826 -2.942 2.925 1.00 0.49 H new ATOM 0 HG2 GLN A 269 14.743 -3.711 4.311 1.00 0.67 H new ATOM 0 HG3 GLN A 269 13.664 -4.748 5.223 1.00 0.67 H new ATOM 0 HE21 GLN A 269 15.381 -4.269 2.215 1.00 1.87 H new ATOM 0 HE22 GLN A 269 15.070 -5.873 1.541 1.00 1.87 H new ATOM 446 N GLY A 277 12.044 -1.744 0.199 1.00 0.30 N ATOM 447 CA GLY A 277 10.677 -1.962 -0.217 1.00 0.29 C ATOM 448 C GLY A 277 9.700 -1.751 0.917 1.00 0.24 C ATOM 449 O GLY A 277 10.068 -1.852 2.089 1.00 0.27 O ATOM 0 HA2 GLY A 277 10.435 -1.284 -1.035 1.00 0.29 H new ATOM 0 HA3 GLY A 277 10.572 -2.976 -0.602 1.00 0.29 H new ATOM 453 N ILE A 278 8.459 -1.454 0.574 1.00 0.21 N ATOM 454 CA ILE A 278 7.427 -1.228 1.573 1.00 0.19 C ATOM 455 C ILE A 278 6.528 -2.452 1.693 1.00 0.18 C ATOM 456 O ILE A 278 5.884 -2.869 0.726 1.00 0.23 O ATOM 457 CB ILE A 278 6.581 0.021 1.252 1.00 0.20 C ATOM 458 CG1 ILE A 278 6.185 0.048 -0.229 1.00 0.23 C ATOM 459 CG2 ILE A 278 7.351 1.281 1.625 1.00 0.23 C ATOM 460 CD1 ILE A 278 5.166 1.116 -0.565 1.00 0.27 C ATOM 0 H ILE A 278 8.140 -1.363 -0.391 1.00 0.21 H new ATOM 0 HA ILE A 278 7.927 -1.054 2.526 1.00 0.19 H new ATOM 0 HB ILE A 278 5.665 -0.019 1.842 1.00 0.20 H new ATOM 0 HG12 ILE A 278 7.079 0.208 -0.832 1.00 0.23 H new ATOM 0 HG13 ILE A 278 5.783 -0.926 -0.507 1.00 0.23 H new ATOM 0 HG21 ILE A 278 6.746 2.158 1.395 1.00 0.23 H new ATOM 0 HG22 ILE A 278 7.578 1.266 2.691 1.00 0.23 H new ATOM 0 HG23 ILE A 278 8.280 1.321 1.056 1.00 0.23 H new ATOM 0 HD11 ILE A 278 4.934 1.075 -1.629 1.00 0.27 H new ATOM 0 HD12 ILE A 278 4.257 0.946 0.011 1.00 0.27 H new ATOM 0 HD13 ILE A 278 5.573 2.097 -0.319 1.00 0.27 H new ATOM 472 N TYR A 279 6.504 -3.036 2.879 1.00 0.15 N ATOM 473 CA TYR A 279 5.701 -4.220 3.134 1.00 0.16 C ATOM 474 C TYR A 279 4.529 -3.891 4.047 1.00 0.15 C ATOM 475 O TYR A 279 4.604 -2.976 4.866 1.00 0.18 O ATOM 476 CB TYR A 279 6.561 -5.312 3.777 1.00 0.19 C ATOM 477 CG TYR A 279 7.700 -5.787 2.903 1.00 0.24 C ATOM 478 CD1 TYR A 279 8.924 -5.133 2.908 1.00 0.42 C ATOM 479 CD2 TYR A 279 7.548 -6.889 2.073 1.00 0.44 C ATOM 480 CE1 TYR A 279 9.965 -5.561 2.107 1.00 0.55 C ATOM 481 CE2 TYR A 279 8.583 -7.325 1.271 1.00 0.57 C ATOM 482 CZ TYR A 279 9.789 -6.659 1.291 1.00 0.55 C ATOM 483 OH TYR A 279 10.819 -7.087 0.487 1.00 0.72 O ATOM 0 H TYR A 279 7.035 -2.707 3.685 1.00 0.15 H new ATOM 0 HA TYR A 279 5.313 -4.579 2.181 1.00 0.16 H new ATOM 0 HB2 TYR A 279 6.968 -4.935 4.715 1.00 0.19 H new ATOM 0 HB3 TYR A 279 5.926 -6.163 4.024 1.00 0.19 H new ATOM 0 HD1 TYR A 279 9.065 -4.275 3.549 1.00 0.42 H new ATOM 0 HD2 TYR A 279 6.604 -7.414 2.054 1.00 0.44 H new ATOM 0 HE1 TYR A 279 10.911 -5.039 2.120 1.00 0.55 H new ATOM 0 HE2 TYR A 279 8.448 -8.184 0.631 1.00 0.57 H new ATOM 0 HH TYR A 279 10.669 -6.775 -0.430 1.00 0.72 H new ATOM 493 N ILE A 280 3.440 -4.626 3.890 1.00 0.16 N ATOM 494 CA ILE A 280 2.261 -4.427 4.715 1.00 0.16 C ATOM 495 C ILE A 280 2.483 -5.031 6.095 1.00 0.17 C ATOM 496 O ILE A 280 2.661 -6.240 6.227 1.00 0.21 O ATOM 497 CB ILE A 280 1.006 -5.062 4.075 1.00 0.19 C ATOM 498 CG1 ILE A 280 0.745 -4.464 2.689 1.00 0.21 C ATOM 499 CG2 ILE A 280 -0.213 -4.879 4.971 1.00 0.21 C ATOM 500 CD1 ILE A 280 0.543 -2.961 2.697 1.00 0.24 C ATOM 0 H ILE A 280 3.349 -5.368 3.196 1.00 0.16 H new ATOM 0 HA ILE A 280 2.096 -3.353 4.801 1.00 0.16 H new ATOM 0 HB ILE A 280 1.189 -6.131 3.962 1.00 0.19 H new ATOM 0 HG12 ILE A 280 1.584 -4.705 2.036 1.00 0.21 H new ATOM 0 HG13 ILE A 280 -0.138 -4.937 2.260 1.00 0.21 H new ATOM 0 HG21 ILE A 280 -1.083 -5.334 4.499 1.00 0.21 H new ATOM 0 HG22 ILE A 280 -0.032 -5.356 5.934 1.00 0.21 H new ATOM 0 HG23 ILE A 280 -0.397 -3.815 5.122 1.00 0.21 H new ATOM 0 HD11 ILE A 280 0.364 -2.613 1.680 1.00 0.24 H new ATOM 0 HD12 ILE A 280 -0.315 -2.712 3.322 1.00 0.24 H new ATOM 0 HD13 ILE A 280 1.435 -2.476 3.095 1.00 0.24 H new ATOM 512 N GLY A 281 2.499 -4.185 7.114 1.00 0.20 N ATOM 513 CA GLY A 281 2.702 -4.658 8.468 1.00 0.23 C ATOM 514 C GLY A 281 1.516 -5.444 8.981 1.00 0.24 C ATOM 515 O GLY A 281 1.645 -6.614 9.337 1.00 0.42 O ATOM 0 H GLY A 281 2.375 -3.176 7.027 1.00 0.20 H new ATOM 0 HA2 GLY A 281 3.594 -5.284 8.503 1.00 0.23 H new ATOM 0 HA3 GLY A 281 2.884 -3.808 9.125 1.00 0.23 H new ATOM 519 N SER A 282 0.362 -4.801 9.002 1.00 0.25 N ATOM 520 CA SER A 282 -0.858 -5.431 9.475 1.00 0.29 C ATOM 521 C SER A 282 -2.072 -4.784 8.818 1.00 0.26 C ATOM 522 O SER A 282 -1.963 -3.710 8.219 1.00 0.30 O ATOM 523 CB SER A 282 -0.951 -5.314 11.001 1.00 0.35 C ATOM 524 OG SER A 282 -0.101 -4.286 11.486 1.00 0.75 O ATOM 0 H SER A 282 0.244 -3.836 8.695 1.00 0.25 H new ATOM 0 HA SER A 282 -0.839 -6.487 9.205 1.00 0.29 H new ATOM 0 HB2 SER A 282 -1.981 -5.106 11.291 1.00 0.35 H new ATOM 0 HB3 SER A 282 -0.676 -6.264 11.459 1.00 0.35 H new ATOM 0 HG SER A 282 -0.227 -3.476 10.948 1.00 0.75 H new ATOM 530 N ILE A 283 -3.219 -5.446 8.915 1.00 0.24 N ATOM 531 CA ILE A 283 -4.455 -4.933 8.339 1.00 0.23 C ATOM 532 C ILE A 283 -5.450 -4.622 9.451 1.00 0.23 C ATOM 533 O ILE A 283 -5.560 -5.375 10.419 1.00 0.30 O ATOM 534 CB ILE A 283 -5.087 -5.939 7.347 1.00 0.27 C ATOM 535 CG1 ILE A 283 -4.068 -6.348 6.279 1.00 0.32 C ATOM 536 CG2 ILE A 283 -6.328 -5.340 6.693 1.00 0.29 C ATOM 537 CD1 ILE A 283 -4.592 -7.380 5.306 1.00 0.53 C ATOM 0 H ILE A 283 -3.318 -6.343 9.390 1.00 0.24 H new ATOM 0 HA ILE A 283 -4.213 -4.024 7.788 1.00 0.23 H new ATOM 0 HB ILE A 283 -5.385 -6.828 7.903 1.00 0.27 H new ATOM 0 HG12 ILE A 283 -3.760 -5.462 5.725 1.00 0.32 H new ATOM 0 HG13 ILE A 283 -3.178 -6.742 6.770 1.00 0.32 H new ATOM 0 HG21 ILE A 283 -6.758 -6.062 5.999 1.00 0.29 H new ATOM 0 HG22 ILE A 283 -7.061 -5.094 7.461 1.00 0.29 H new ATOM 0 HG23 ILE A 283 -6.053 -4.435 6.151 1.00 0.29 H new ATOM 0 HD11 ILE A 283 -3.817 -7.621 4.579 1.00 0.53 H new ATOM 0 HD12 ILE A 283 -4.874 -8.282 5.849 1.00 0.53 H new ATOM 0 HD13 ILE A 283 -5.464 -6.982 4.788 1.00 0.53 H new ATOM 549 N MET A 284 -6.152 -3.507 9.321 1.00 0.20 N ATOM 550 CA MET A 284 -7.128 -3.096 10.318 1.00 0.21 C ATOM 551 C MET A 284 -8.545 -3.398 9.841 1.00 0.22 C ATOM 552 O MET A 284 -8.908 -3.090 8.702 1.00 0.23 O ATOM 553 CB MET A 284 -6.977 -1.603 10.625 1.00 0.24 C ATOM 554 CG MET A 284 -5.678 -1.259 11.335 1.00 0.35 C ATOM 555 SD MET A 284 -5.556 -2.019 12.966 1.00 0.54 S ATOM 556 CE MET A 284 -4.182 -3.144 12.709 1.00 0.74 C ATOM 0 H MET A 284 -6.063 -2.868 8.531 1.00 0.20 H new ATOM 0 HA MET A 284 -6.946 -3.662 11.232 1.00 0.21 H new ATOM 0 HB2 MET A 284 -7.032 -1.041 9.693 1.00 0.24 H new ATOM 0 HB3 MET A 284 -7.816 -1.280 11.242 1.00 0.24 H new ATOM 0 HG2 MET A 284 -4.837 -1.584 10.723 1.00 0.35 H new ATOM 0 HG3 MET A 284 -5.599 -0.177 11.436 1.00 0.35 H new ATOM 0 HE1 MET A 284 -3.665 -3.309 13.654 1.00 0.74 H new ATOM 0 HE2 MET A 284 -4.556 -4.095 12.330 1.00 0.74 H new ATOM 0 HE3 MET A 284 -3.489 -2.713 11.986 1.00 0.74 H new ATOM 566 N LYS A 285 -9.335 -4.011 10.712 1.00 0.28 N ATOM 567 CA LYS A 285 -10.709 -4.361 10.388 1.00 0.33 C ATOM 568 C LYS A 285 -11.570 -3.105 10.289 1.00 0.33 C ATOM 569 O LYS A 285 -11.874 -2.466 11.294 1.00 0.46 O ATOM 570 CB LYS A 285 -11.275 -5.305 11.449 1.00 0.43 C ATOM 571 CG LYS A 285 -12.504 -6.080 10.999 1.00 0.49 C ATOM 572 CD LYS A 285 -12.194 -6.975 9.809 1.00 0.63 C ATOM 573 CE LYS A 285 -13.357 -7.896 9.481 1.00 0.83 C ATOM 574 NZ LYS A 285 -14.596 -7.139 9.169 1.00 1.01 N ATOM 0 H LYS A 285 -9.045 -4.277 11.653 1.00 0.28 H new ATOM 0 HA LYS A 285 -10.721 -4.867 9.422 1.00 0.33 H new ATOM 0 HB2 LYS A 285 -10.499 -6.013 11.741 1.00 0.43 H new ATOM 0 HB3 LYS A 285 -11.529 -4.726 12.337 1.00 0.43 H new ATOM 0 HG2 LYS A 285 -12.875 -6.687 11.825 1.00 0.49 H new ATOM 0 HG3 LYS A 285 -13.298 -5.382 10.734 1.00 0.49 H new ATOM 0 HD2 LYS A 285 -11.962 -6.358 8.941 1.00 0.63 H new ATOM 0 HD3 LYS A 285 -11.307 -7.571 10.023 1.00 0.63 H new ATOM 0 HE2 LYS A 285 -13.093 -8.525 8.631 1.00 0.83 H new ATOM 0 HE3 LYS A 285 -13.541 -8.561 10.324 1.00 0.83 H new ATOM 0 HZ1 LYS A 285 -15.325 -7.794 8.821 1.00 1.01 H new ATOM 0 HZ2 LYS A 285 -14.939 -6.665 10.029 1.00 1.01 H new ATOM 0 HZ3 LYS A 285 -14.393 -6.427 8.439 1.00 1.01 H new ATOM 588 N GLY A 286 -11.955 -2.759 9.072 1.00 0.33 N ATOM 589 CA GLY A 286 -12.763 -1.579 8.854 1.00 0.35 C ATOM 590 C GLY A 286 -12.265 -0.781 7.671 1.00 0.30 C ATOM 591 O GLY A 286 -12.950 0.121 7.187 1.00 0.36 O ATOM 0 H GLY A 286 -11.721 -3.278 8.226 1.00 0.33 H new ATOM 0 HA2 GLY A 286 -13.800 -1.872 8.687 1.00 0.35 H new ATOM 0 HA3 GLY A 286 -12.748 -0.955 9.748 1.00 0.35 H new ATOM 595 N GLY A 287 -11.066 -1.112 7.214 1.00 0.26 N ATOM 596 CA GLY A 287 -10.490 -0.427 6.076 1.00 0.24 C ATOM 597 C GLY A 287 -10.886 -1.073 4.767 1.00 0.22 C ATOM 598 O GLY A 287 -11.469 -2.159 4.758 1.00 0.24 O ATOM 0 H GLY A 287 -10.480 -1.846 7.613 1.00 0.26 H new ATOM 0 HA2 GLY A 287 -10.812 0.614 6.079 1.00 0.24 H new ATOM 0 HA3 GLY A 287 -9.404 -0.425 6.166 1.00 0.24 H new ATOM 602 N ALA A 288 -10.573 -0.417 3.660 1.00 0.21 N ATOM 603 CA ALA A 288 -10.908 -0.939 2.344 1.00 0.22 C ATOM 604 C ALA A 288 -10.161 -2.239 2.054 1.00 0.22 C ATOM 605 O ALA A 288 -10.708 -3.154 1.443 1.00 0.25 O ATOM 606 CB ALA A 288 -10.603 0.096 1.277 1.00 0.24 C ATOM 0 H ALA A 288 -10.087 0.479 3.647 1.00 0.21 H new ATOM 0 HA ALA A 288 -11.976 -1.159 2.331 1.00 0.22 H new ATOM 0 HB1 ALA A 288 -10.858 -0.306 0.297 1.00 0.24 H new ATOM 0 HB2 ALA A 288 -11.190 0.995 1.464 1.00 0.24 H new ATOM 0 HB3 ALA A 288 -9.542 0.343 1.303 1.00 0.24 H new ATOM 612 N VAL A 289 -8.920 -2.326 2.524 1.00 0.20 N ATOM 613 CA VAL A 289 -8.096 -3.511 2.302 1.00 0.21 C ATOM 614 C VAL A 289 -8.675 -4.727 3.022 1.00 0.23 C ATOM 615 O VAL A 289 -8.593 -5.854 2.527 1.00 0.26 O ATOM 616 CB VAL A 289 -6.645 -3.276 2.777 1.00 0.20 C ATOM 617 CG1 VAL A 289 -5.778 -4.505 2.532 1.00 0.23 C ATOM 618 CG2 VAL A 289 -6.050 -2.057 2.083 1.00 0.20 C ATOM 0 H VAL A 289 -8.462 -1.590 3.061 1.00 0.20 H new ATOM 0 HA VAL A 289 -8.091 -3.704 1.229 1.00 0.21 H new ATOM 0 HB VAL A 289 -6.668 -3.092 3.851 1.00 0.20 H new ATOM 0 HG11 VAL A 289 -4.763 -4.309 2.877 1.00 0.23 H new ATOM 0 HG12 VAL A 289 -6.189 -5.355 3.078 1.00 0.23 H new ATOM 0 HG13 VAL A 289 -5.762 -4.732 1.466 1.00 0.23 H new ATOM 0 HG21 VAL A 289 -5.027 -1.905 2.428 1.00 0.20 H new ATOM 0 HG22 VAL A 289 -6.049 -2.217 1.005 1.00 0.20 H new ATOM 0 HG23 VAL A 289 -6.647 -1.176 2.319 1.00 0.20 H new ATOM 628 N ALA A 290 -9.292 -4.487 4.174 1.00 0.23 N ATOM 629 CA ALA A 290 -9.880 -5.560 4.967 1.00 0.27 C ATOM 630 C ALA A 290 -11.138 -6.118 4.309 1.00 0.29 C ATOM 631 O ALA A 290 -11.618 -7.194 4.671 1.00 0.37 O ATOM 632 CB ALA A 290 -10.196 -5.070 6.372 1.00 0.29 C ATOM 0 H ALA A 290 -9.398 -3.557 4.580 1.00 0.23 H new ATOM 0 HA ALA A 290 -9.148 -6.365 5.027 1.00 0.27 H new ATOM 0 HB1 ALA A 290 -10.634 -5.883 6.951 1.00 0.29 H new ATOM 0 HB2 ALA A 290 -9.278 -4.734 6.855 1.00 0.29 H new ATOM 0 HB3 ALA A 290 -10.902 -4.241 6.318 1.00 0.29 H new ATOM 638 N ALA A 291 -11.673 -5.381 3.346 1.00 0.29 N ATOM 639 CA ALA A 291 -12.872 -5.806 2.642 1.00 0.32 C ATOM 640 C ALA A 291 -12.519 -6.675 1.440 1.00 0.32 C ATOM 641 O ALA A 291 -13.356 -7.426 0.932 1.00 0.41 O ATOM 642 CB ALA A 291 -13.687 -4.600 2.203 1.00 0.38 C ATOM 0 H ALA A 291 -11.295 -4.486 3.035 1.00 0.29 H new ATOM 0 HA ALA A 291 -13.474 -6.402 3.328 1.00 0.32 H new ATOM 0 HB1 ALA A 291 -14.581 -4.937 1.678 1.00 0.38 H new ATOM 0 HB2 ALA A 291 -13.978 -4.019 3.078 1.00 0.38 H new ATOM 0 HB3 ALA A 291 -13.088 -3.978 1.538 1.00 0.38 H new ATOM 648 N ASP A 292 -11.277 -6.570 0.984 1.00 0.31 N ATOM 649 CA ASP A 292 -10.820 -7.342 -0.162 1.00 0.32 C ATOM 650 C ASP A 292 -10.489 -8.768 0.258 1.00 0.30 C ATOM 651 O ASP A 292 -11.228 -9.702 -0.050 1.00 0.38 O ATOM 652 CB ASP A 292 -9.603 -6.686 -0.810 1.00 0.37 C ATOM 653 CG ASP A 292 -9.278 -7.309 -2.148 1.00 0.43 C ATOM 654 OD1 ASP A 292 -8.687 -8.408 -2.168 1.00 0.45 O ATOM 655 OD2 ASP A 292 -9.625 -6.712 -3.185 1.00 0.55 O ATOM 0 H ASP A 292 -10.570 -5.958 1.391 1.00 0.31 H new ATOM 0 HA ASP A 292 -11.625 -7.369 -0.896 1.00 0.32 H new ATOM 0 HB2 ASP A 292 -9.791 -5.620 -0.941 1.00 0.37 H new ATOM 0 HB3 ASP A 292 -8.743 -6.779 -0.147 1.00 0.37 H new ATOM 660 N GLY A 293 -9.375 -8.939 0.959 1.00 0.29 N ATOM 661 CA GLY A 293 -8.992 -10.258 1.420 1.00 0.33 C ATOM 662 C GLY A 293 -7.798 -10.838 0.679 1.00 0.33 C ATOM 663 O GLY A 293 -7.138 -11.744 1.190 1.00 0.39 O ATOM 0 H GLY A 293 -8.732 -8.190 1.216 1.00 0.29 H new ATOM 0 HA2 GLY A 293 -8.760 -10.209 2.484 1.00 0.33 H new ATOM 0 HA3 GLY A 293 -9.841 -10.933 1.310 1.00 0.33 H new ATOM 667 N ARG A 294 -7.507 -10.334 -0.516 1.00 0.31 N ATOM 668 CA ARG A 294 -6.380 -10.845 -1.293 1.00 0.32 C ATOM 669 C ARG A 294 -5.054 -10.385 -0.701 1.00 0.30 C ATOM 670 O ARG A 294 -4.069 -11.120 -0.715 1.00 0.37 O ATOM 671 CB ARG A 294 -6.489 -10.412 -2.755 1.00 0.35 C ATOM 672 CG ARG A 294 -7.525 -11.198 -3.543 1.00 0.41 C ATOM 673 CD ARG A 294 -7.799 -10.563 -4.896 1.00 0.44 C ATOM 674 NE ARG A 294 -8.590 -9.340 -4.776 1.00 0.43 N ATOM 675 CZ ARG A 294 -9.298 -8.810 -5.772 1.00 0.54 C ATOM 676 NH1 ARG A 294 -9.324 -9.392 -6.962 1.00 0.68 N ATOM 677 NH2 ARG A 294 -9.989 -7.702 -5.569 1.00 0.58 N ATOM 0 H ARG A 294 -8.028 -9.581 -0.965 1.00 0.31 H new ATOM 0 HA ARG A 294 -6.412 -11.934 -1.251 1.00 0.32 H new ATOM 0 HB2 ARG A 294 -6.741 -9.352 -2.794 1.00 0.35 H new ATOM 0 HB3 ARG A 294 -5.516 -10.526 -3.233 1.00 0.35 H new ATOM 0 HG2 ARG A 294 -7.176 -12.221 -3.685 1.00 0.41 H new ATOM 0 HG3 ARG A 294 -8.452 -11.254 -2.972 1.00 0.41 H new ATOM 0 HD2 ARG A 294 -6.853 -10.336 -5.388 1.00 0.44 H new ATOM 0 HD3 ARG A 294 -8.326 -11.275 -5.531 1.00 0.44 H new ATOM 0 HE ARG A 294 -8.601 -8.863 -3.874 1.00 0.43 H new ATOM 0 HH11 ARG A 294 -8.799 -10.252 -7.121 1.00 0.68 H new ATOM 0 HH12 ARG A 294 -9.869 -8.980 -7.720 1.00 0.68 H new ATOM 0 HH21 ARG A 294 -9.979 -7.256 -4.652 1.00 0.58 H new ATOM 0 HH22 ARG A 294 -10.532 -7.293 -6.329 1.00 0.58 H new ATOM 691 N ILE A 295 -5.033 -9.169 -0.180 1.00 0.26 N ATOM 692 CA ILE A 295 -3.831 -8.623 0.432 1.00 0.25 C ATOM 693 C ILE A 295 -3.721 -9.115 1.869 1.00 0.25 C ATOM 694 O ILE A 295 -4.722 -9.165 2.592 1.00 0.29 O ATOM 695 CB ILE A 295 -3.827 -7.077 0.420 1.00 0.25 C ATOM 696 CG1 ILE A 295 -4.129 -6.551 -0.986 1.00 0.27 C ATOM 697 CG2 ILE A 295 -2.487 -6.539 0.910 1.00 0.27 C ATOM 698 CD1 ILE A 295 -4.312 -5.048 -1.046 1.00 0.37 C ATOM 0 H ILE A 295 -5.836 -8.540 -0.168 1.00 0.26 H new ATOM 0 HA ILE A 295 -2.978 -8.966 -0.153 1.00 0.25 H new ATOM 0 HB ILE A 295 -4.607 -6.728 1.097 1.00 0.25 H new ATOM 0 HG12 ILE A 295 -3.316 -6.836 -1.654 1.00 0.27 H new ATOM 0 HG13 ILE A 295 -5.032 -7.034 -1.359 1.00 0.27 H new ATOM 0 HG21 ILE A 295 -2.505 -5.449 0.894 1.00 0.27 H new ATOM 0 HG22 ILE A 295 -2.307 -6.884 1.928 1.00 0.27 H new ATOM 0 HG23 ILE A 295 -1.690 -6.899 0.259 1.00 0.27 H new ATOM 0 HD11 ILE A 295 -4.523 -4.748 -2.072 1.00 0.37 H new ATOM 0 HD12 ILE A 295 -5.144 -4.757 -0.405 1.00 0.37 H new ATOM 0 HD13 ILE A 295 -3.401 -4.557 -0.704 1.00 0.37 H new ATOM 710 N GLU A 296 -2.519 -9.488 2.273 1.00 0.24 N ATOM 711 CA GLU A 296 -2.286 -9.979 3.622 1.00 0.26 C ATOM 712 C GLU A 296 -1.019 -9.354 4.204 1.00 0.24 C ATOM 713 O GLU A 296 -0.166 -8.861 3.460 1.00 0.22 O ATOM 714 CB GLU A 296 -2.186 -11.510 3.613 1.00 0.31 C ATOM 715 CG GLU A 296 -1.027 -12.050 2.793 1.00 0.36 C ATOM 716 CD GLU A 296 -1.145 -13.538 2.531 1.00 0.49 C ATOM 717 OE1 GLU A 296 -1.159 -14.325 3.503 1.00 0.69 O ATOM 718 OE2 GLU A 296 -1.226 -13.933 1.348 1.00 0.56 O ATOM 0 H GLU A 296 -1.686 -9.460 1.685 1.00 0.24 H new ATOM 0 HA GLU A 296 -3.126 -9.692 4.254 1.00 0.26 H new ATOM 0 HB2 GLU A 296 -2.087 -11.863 4.639 1.00 0.31 H new ATOM 0 HB3 GLU A 296 -3.117 -11.922 3.223 1.00 0.31 H new ATOM 0 HG2 GLU A 296 -0.981 -11.519 1.842 1.00 0.36 H new ATOM 0 HG3 GLU A 296 -0.092 -11.849 3.316 1.00 0.36 H new ATOM 725 N PRO A 297 -0.888 -9.339 5.546 1.00 0.26 N ATOM 726 CA PRO A 297 0.289 -8.780 6.216 1.00 0.27 C ATOM 727 C PRO A 297 1.571 -9.443 5.733 1.00 0.27 C ATOM 728 O PRO A 297 1.800 -10.627 5.979 1.00 0.41 O ATOM 729 CB PRO A 297 0.047 -9.089 7.697 1.00 0.32 C ATOM 730 CG PRO A 297 -1.423 -9.277 7.819 1.00 0.34 C ATOM 731 CD PRO A 297 -1.872 -9.866 6.514 1.00 0.32 C ATOM 0 HA PRO A 297 0.413 -7.716 6.015 1.00 0.27 H new ATOM 0 HB2 PRO A 297 0.586 -9.985 8.006 1.00 0.32 H new ATOM 0 HB3 PRO A 297 0.394 -8.274 8.332 1.00 0.32 H new ATOM 0 HG2 PRO A 297 -1.664 -9.940 8.650 1.00 0.34 H new ATOM 0 HG3 PRO A 297 -1.923 -8.328 8.012 1.00 0.34 H new ATOM 0 HD2 PRO A 297 -1.865 -10.956 6.541 1.00 0.32 H new ATOM 0 HD3 PRO A 297 -2.887 -9.559 6.263 1.00 0.32 H new ATOM 739 N GLY A 298 2.395 -8.676 5.041 1.00 0.27 N ATOM 740 CA GLY A 298 3.639 -9.197 4.518 1.00 0.28 C ATOM 741 C GLY A 298 3.813 -8.877 3.049 1.00 0.25 C ATOM 742 O GLY A 298 4.930 -8.885 2.533 1.00 0.29 O ATOM 0 H GLY A 298 2.223 -7.693 4.830 1.00 0.27 H new ATOM 0 HA2 GLY A 298 4.473 -8.779 5.082 1.00 0.28 H new ATOM 0 HA3 GLY A 298 3.668 -10.277 4.660 1.00 0.28 H new ATOM 746 N ASP A 299 2.703 -8.594 2.379 1.00 0.22 N ATOM 747 CA ASP A 299 2.725 -8.267 0.958 1.00 0.22 C ATOM 748 C ASP A 299 3.477 -6.966 0.711 1.00 0.20 C ATOM 749 O ASP A 299 3.456 -6.059 1.543 1.00 0.21 O ATOM 750 CB ASP A 299 1.302 -8.153 0.405 1.00 0.24 C ATOM 751 CG ASP A 299 0.662 -9.503 0.142 1.00 0.27 C ATOM 752 OD1 ASP A 299 1.381 -10.445 -0.267 1.00 0.34 O ATOM 753 OD2 ASP A 299 -0.568 -9.633 0.337 1.00 0.28 O ATOM 0 H ASP A 299 1.773 -8.584 2.798 1.00 0.22 H new ATOM 0 HA ASP A 299 3.242 -9.075 0.441 1.00 0.22 H new ATOM 0 HB2 ASP A 299 0.686 -7.596 1.111 1.00 0.24 H new ATOM 0 HB3 ASP A 299 1.322 -7.579 -0.522 1.00 0.24 H new ATOM 758 N MET A 300 4.152 -6.885 -0.427 1.00 0.21 N ATOM 759 CA MET A 300 4.909 -5.692 -0.781 1.00 0.21 C ATOM 760 C MET A 300 4.185 -4.908 -1.865 1.00 0.19 C ATOM 761 O MET A 300 3.746 -5.480 -2.862 1.00 0.21 O ATOM 762 CB MET A 300 6.313 -6.071 -1.259 1.00 0.27 C ATOM 763 CG MET A 300 7.203 -4.874 -1.565 1.00 0.32 C ATOM 764 SD MET A 300 8.907 -5.344 -1.935 1.00 0.50 S ATOM 765 CE MET A 300 8.692 -6.275 -3.449 1.00 1.26 C ATOM 0 H MET A 300 4.191 -7.631 -1.121 1.00 0.21 H new ATOM 0 HA MET A 300 4.998 -5.066 0.107 1.00 0.21 H new ATOM 0 HB2 MET A 300 6.793 -6.683 -0.496 1.00 0.27 H new ATOM 0 HB3 MET A 300 6.228 -6.687 -2.154 1.00 0.27 H new ATOM 0 HG2 MET A 300 6.790 -4.327 -2.413 1.00 0.32 H new ATOM 0 HG3 MET A 300 7.195 -4.194 -0.713 1.00 0.32 H new ATOM 0 HE1 MET A 300 9.438 -5.960 -4.179 1.00 1.26 H new ATOM 0 HE2 MET A 300 8.813 -7.338 -3.243 1.00 1.26 H new ATOM 0 HE3 MET A 300 7.694 -6.094 -3.849 1.00 1.26 H new ATOM 775 N LEU A 301 4.062 -3.605 -1.665 1.00 0.19 N ATOM 776 CA LEU A 301 3.391 -2.744 -2.631 1.00 0.19 C ATOM 777 C LEU A 301 4.357 -2.320 -3.728 1.00 0.20 C ATOM 778 O LEU A 301 5.466 -1.865 -3.446 1.00 0.24 O ATOM 779 CB LEU A 301 2.818 -1.505 -1.935 1.00 0.23 C ATOM 780 CG LEU A 301 1.490 -1.719 -1.205 1.00 0.33 C ATOM 781 CD1 LEU A 301 1.247 -0.596 -0.208 1.00 0.48 C ATOM 782 CD2 LEU A 301 0.344 -1.798 -2.201 1.00 0.47 C ATOM 0 H LEU A 301 4.418 -3.119 -0.842 1.00 0.19 H new ATOM 0 HA LEU A 301 2.573 -3.307 -3.080 1.00 0.19 H new ATOM 0 HB2 LEU A 301 3.553 -1.139 -1.218 1.00 0.23 H new ATOM 0 HB3 LEU A 301 2.682 -0.721 -2.680 1.00 0.23 H new ATOM 0 HG LEU A 301 1.542 -2.662 -0.661 1.00 0.33 H new ATOM 0 HD11 LEU A 301 0.299 -0.762 0.303 1.00 0.48 H new ATOM 0 HD12 LEU A 301 2.055 -0.577 0.523 1.00 0.48 H new ATOM 0 HD13 LEU A 301 1.213 0.357 -0.735 1.00 0.48 H new ATOM 0 HD21 LEU A 301 -0.593 -1.950 -1.666 1.00 0.47 H new ATOM 0 HD22 LEU A 301 0.291 -0.869 -2.769 1.00 0.47 H new ATOM 0 HD23 LEU A 301 0.512 -2.631 -2.883 1.00 0.47 H new ATOM 794 N LEU A 302 3.937 -2.488 -4.973 1.00 0.20 N ATOM 795 CA LEU A 302 4.761 -2.113 -6.110 1.00 0.22 C ATOM 796 C LEU A 302 4.243 -0.823 -6.733 1.00 0.22 C ATOM 797 O LEU A 302 4.799 0.255 -6.523 1.00 0.29 O ATOM 798 CB LEU A 302 4.759 -3.223 -7.167 1.00 0.27 C ATOM 799 CG LEU A 302 5.058 -4.632 -6.656 1.00 0.37 C ATOM 800 CD1 LEU A 302 4.702 -5.660 -7.715 1.00 0.53 C ATOM 801 CD2 LEU A 302 6.523 -4.760 -6.263 1.00 0.46 C ATOM 0 H LEU A 302 3.029 -2.882 -5.221 1.00 0.20 H new ATOM 0 HA LEU A 302 5.780 -1.961 -5.755 1.00 0.22 H new ATOM 0 HB2 LEU A 302 3.784 -3.233 -7.653 1.00 0.27 H new ATOM 0 HB3 LEU A 302 5.494 -2.971 -7.932 1.00 0.27 H new ATOM 0 HG LEU A 302 4.449 -4.816 -5.771 1.00 0.37 H new ATOM 0 HD11 LEU A 302 4.919 -6.660 -7.339 1.00 0.53 H new ATOM 0 HD12 LEU A 302 3.641 -5.585 -7.953 1.00 0.53 H new ATOM 0 HD13 LEU A 302 5.290 -5.475 -8.614 1.00 0.53 H new ATOM 0 HD21 LEU A 302 6.716 -5.770 -5.902 1.00 0.46 H new ATOM 0 HD22 LEU A 302 7.151 -4.559 -7.131 1.00 0.46 H new ATOM 0 HD23 LEU A 302 6.752 -4.043 -5.475 1.00 0.46 H new ATOM 813 N GLN A 303 3.157 -0.945 -7.481 1.00 0.21 N ATOM 814 CA GLN A 303 2.555 0.191 -8.153 1.00 0.22 C ATOM 815 C GLN A 303 1.198 0.516 -7.543 1.00 0.21 C ATOM 816 O GLN A 303 0.349 -0.365 -7.379 1.00 0.25 O ATOM 817 CB GLN A 303 2.417 -0.107 -9.649 1.00 0.27 C ATOM 818 CG GLN A 303 1.793 1.021 -10.458 1.00 0.32 C ATOM 819 CD GLN A 303 1.883 0.784 -11.958 1.00 0.51 C ATOM 820 OE1 GLN A 303 2.973 0.175 -12.401 1.00 0.68 O flip ATOM 821 NE2 GLN A 303 0.985 1.156 -12.712 1.00 0.73 N flip ATOM 0 H GLN A 303 2.673 -1.829 -7.637 1.00 0.21 H new ATOM 0 HA GLN A 303 3.199 1.061 -8.024 1.00 0.22 H new ATOM 0 HB2 GLN A 303 3.404 -0.327 -10.056 1.00 0.27 H new ATOM 0 HB3 GLN A 303 1.813 -1.005 -9.774 1.00 0.27 H new ATOM 0 HG2 GLN A 303 0.747 1.131 -10.173 1.00 0.32 H new ATOM 0 HG3 GLN A 303 2.291 1.959 -10.211 1.00 0.32 H new ATOM 0 HE21 GLN A 303 0.161 1.622 -12.333 1.00 0.73 H new ATOM 0 HE22 GLN A 303 1.065 0.999 -13.717 1.00 0.73 H new ATOM 830 N VAL A 304 1.006 1.773 -7.188 1.00 0.20 N ATOM 831 CA VAL A 304 -0.244 2.214 -6.599 1.00 0.21 C ATOM 832 C VAL A 304 -0.856 3.322 -7.440 1.00 0.22 C ATOM 833 O VAL A 304 -0.472 4.481 -7.321 1.00 0.26 O ATOM 834 CB VAL A 304 -0.055 2.713 -5.153 1.00 0.24 C ATOM 835 CG1 VAL A 304 -1.365 3.245 -4.593 1.00 0.29 C ATOM 836 CG2 VAL A 304 0.490 1.600 -4.271 1.00 0.27 C ATOM 0 H VAL A 304 1.703 2.509 -7.298 1.00 0.20 H new ATOM 0 HA VAL A 304 -0.913 1.353 -6.575 1.00 0.21 H new ATOM 0 HB VAL A 304 0.668 3.528 -5.164 1.00 0.24 H new ATOM 0 HG11 VAL A 304 -1.210 3.592 -3.571 1.00 0.29 H new ATOM 0 HG12 VAL A 304 -1.714 4.074 -5.209 1.00 0.29 H new ATOM 0 HG13 VAL A 304 -2.112 2.451 -4.597 1.00 0.29 H new ATOM 0 HG21 VAL A 304 0.617 1.971 -3.254 1.00 0.27 H new ATOM 0 HG22 VAL A 304 -0.209 0.763 -4.268 1.00 0.27 H new ATOM 0 HG23 VAL A 304 1.453 1.267 -4.659 1.00 0.27 H new ATOM 846 N ASN A 305 -1.796 2.945 -8.295 1.00 0.27 N ATOM 847 CA ASN A 305 -2.480 3.888 -9.177 1.00 0.33 C ATOM 848 C ASN A 305 -1.495 4.648 -10.061 1.00 0.31 C ATOM 849 O ASN A 305 -1.160 5.802 -9.789 1.00 0.34 O ATOM 850 CB ASN A 305 -3.348 4.872 -8.380 1.00 0.39 C ATOM 851 CG ASN A 305 -4.820 4.515 -8.443 1.00 0.78 C ATOM 852 OD1 ASN A 305 -5.185 3.360 -8.650 1.00 1.71 O ATOM 853 ND2 ASN A 305 -5.681 5.502 -8.255 1.00 1.14 N ATOM 0 H ASN A 305 -2.108 1.979 -8.399 1.00 0.27 H new ATOM 0 HA ASN A 305 -3.132 3.301 -9.824 1.00 0.33 H new ATOM 0 HB2 ASN A 305 -3.022 4.882 -7.340 1.00 0.39 H new ATOM 0 HB3 ASN A 305 -3.203 5.880 -8.769 1.00 0.39 H new ATOM 0 HD21 ASN A 305 -6.684 5.316 -8.279 1.00 1.14 H new ATOM 0 HD22 ASN A 305 -5.342 6.449 -8.086 1.00 1.14 H new ATOM 860 N ASP A 306 -1.018 3.965 -11.099 1.00 0.32 N ATOM 861 CA ASP A 306 -0.092 4.527 -12.094 1.00 0.35 C ATOM 862 C ASP A 306 1.346 4.668 -11.588 1.00 0.31 C ATOM 863 O ASP A 306 2.276 4.187 -12.235 1.00 0.35 O ATOM 864 CB ASP A 306 -0.591 5.880 -12.620 1.00 0.42 C ATOM 865 CG ASP A 306 -1.266 5.761 -13.970 1.00 0.66 C ATOM 866 OD1 ASP A 306 -0.683 5.124 -14.873 1.00 1.06 O ATOM 867 OD2 ASP A 306 -2.388 6.291 -14.132 1.00 1.11 O ATOM 0 H ASP A 306 -1.264 2.992 -11.280 1.00 0.32 H new ATOM 0 HA ASP A 306 -0.073 3.802 -12.908 1.00 0.35 H new ATOM 0 HB2 ASP A 306 -1.291 6.310 -11.903 1.00 0.42 H new ATOM 0 HB3 ASP A 306 0.250 6.569 -12.697 1.00 0.42 H new ATOM 872 N VAL A 307 1.535 5.320 -10.449 1.00 0.30 N ATOM 873 CA VAL A 307 2.879 5.524 -9.913 1.00 0.29 C ATOM 874 C VAL A 307 3.457 4.251 -9.292 1.00 0.25 C ATOM 875 O VAL A 307 2.792 3.550 -8.525 1.00 0.28 O ATOM 876 CB VAL A 307 2.922 6.670 -8.875 1.00 0.34 C ATOM 877 CG1 VAL A 307 2.653 8.007 -9.546 1.00 0.71 C ATOM 878 CG2 VAL A 307 1.930 6.433 -7.749 1.00 0.53 C ATOM 0 H VAL A 307 0.785 5.714 -9.881 1.00 0.30 H new ATOM 0 HA VAL A 307 3.497 5.802 -10.767 1.00 0.29 H new ATOM 0 HB VAL A 307 3.922 6.690 -8.442 1.00 0.34 H new ATOM 0 HG11 VAL A 307 2.687 8.802 -8.801 1.00 0.71 H new ATOM 0 HG12 VAL A 307 3.411 8.191 -10.307 1.00 0.71 H new ATOM 0 HG13 VAL A 307 1.668 7.989 -10.012 1.00 0.71 H new ATOM 0 HG21 VAL A 307 1.985 7.256 -7.036 1.00 0.53 H new ATOM 0 HG22 VAL A 307 0.922 6.375 -8.159 1.00 0.53 H new ATOM 0 HG23 VAL A 307 2.171 5.498 -7.243 1.00 0.53 H new ATOM 888 N ASN A 308 4.702 3.954 -9.647 1.00 0.25 N ATOM 889 CA ASN A 308 5.397 2.782 -9.131 1.00 0.25 C ATOM 890 C ASN A 308 6.434 3.215 -8.102 1.00 0.24 C ATOM 891 O ASN A 308 7.210 4.142 -8.348 1.00 0.33 O ATOM 892 CB ASN A 308 6.067 2.003 -10.274 1.00 0.33 C ATOM 893 CG ASN A 308 6.505 0.610 -9.855 1.00 0.46 C ATOM 894 OD1 ASN A 308 6.705 0.340 -8.680 1.00 0.58 O ATOM 895 ND2 ASN A 308 6.664 -0.283 -10.819 1.00 0.74 N ATOM 0 H ASN A 308 5.254 4.515 -10.296 1.00 0.25 H new ATOM 0 HA ASN A 308 4.673 2.123 -8.652 1.00 0.25 H new ATOM 0 HB2 ASN A 308 5.373 1.925 -11.111 1.00 0.33 H new ATOM 0 HB3 ASN A 308 6.934 2.561 -10.629 1.00 0.33 H new ATOM 0 HD21 ASN A 308 6.962 -1.231 -10.591 1.00 0.74 H new ATOM 0 HD22 ASN A 308 6.488 -0.023 -11.789 1.00 0.74 H new ATOM 902 N PHE A 309 6.453 2.543 -6.958 1.00 0.22 N ATOM 903 CA PHE A 309 7.382 2.885 -5.887 1.00 0.24 C ATOM 904 C PHE A 309 8.597 1.962 -5.873 1.00 0.26 C ATOM 905 O PHE A 309 9.454 2.079 -5.001 1.00 0.30 O ATOM 906 CB PHE A 309 6.674 2.834 -4.529 1.00 0.28 C ATOM 907 CG PHE A 309 5.468 3.728 -4.438 1.00 0.26 C ATOM 908 CD1 PHE A 309 5.511 5.030 -4.915 1.00 0.29 C ATOM 909 CD2 PHE A 309 4.290 3.265 -3.876 1.00 0.31 C ATOM 910 CE1 PHE A 309 4.401 5.849 -4.834 1.00 0.33 C ATOM 911 CE2 PHE A 309 3.176 4.082 -3.792 1.00 0.33 C ATOM 912 CZ PHE A 309 3.233 5.375 -4.272 1.00 0.33 C ATOM 0 H PHE A 309 5.836 1.758 -6.747 1.00 0.22 H new ATOM 0 HA PHE A 309 7.734 3.899 -6.074 1.00 0.24 H new ATOM 0 HB2 PHE A 309 6.369 1.807 -4.327 1.00 0.28 H new ATOM 0 HB3 PHE A 309 7.382 3.115 -3.750 1.00 0.28 H new ATOM 0 HD1 PHE A 309 6.422 5.408 -5.355 1.00 0.29 H new ATOM 0 HD2 PHE A 309 4.240 2.254 -3.499 1.00 0.31 H new ATOM 0 HE1 PHE A 309 4.447 6.860 -5.211 1.00 0.33 H new ATOM 0 HE2 PHE A 309 2.263 3.708 -3.352 1.00 0.33 H new ATOM 0 HZ PHE A 309 2.365 6.015 -4.208 1.00 0.33 H new ATOM 922 N GLU A 310 8.678 1.060 -6.847 1.00 0.29 N ATOM 923 CA GLU A 310 9.798 0.124 -6.933 1.00 0.33 C ATOM 924 C GLU A 310 11.130 0.853 -7.113 1.00 0.35 C ATOM 925 O GLU A 310 12.189 0.309 -6.799 1.00 0.47 O ATOM 926 CB GLU A 310 9.601 -0.854 -8.090 1.00 0.40 C ATOM 927 CG GLU A 310 8.604 -1.962 -7.802 1.00 0.54 C ATOM 928 CD GLU A 310 8.514 -2.956 -8.941 1.00 0.67 C ATOM 929 OE1 GLU A 310 7.738 -2.716 -9.892 1.00 1.04 O ATOM 930 OE2 GLU A 310 9.224 -3.983 -8.896 1.00 1.21 O ATOM 0 H GLU A 310 7.984 0.956 -7.587 1.00 0.29 H new ATOM 0 HA GLU A 310 9.825 -0.426 -5.992 1.00 0.33 H new ATOM 0 HB2 GLU A 310 9.268 -0.300 -8.968 1.00 0.40 H new ATOM 0 HB3 GLU A 310 10.563 -1.301 -8.341 1.00 0.40 H new ATOM 0 HG2 GLU A 310 8.894 -2.482 -6.889 1.00 0.54 H new ATOM 0 HG3 GLU A 310 7.621 -1.527 -7.622 1.00 0.54 H new ATOM 937 N ASN A 311 11.074 2.077 -7.616 1.00 0.35 N ATOM 938 CA ASN A 311 12.282 2.863 -7.835 1.00 0.41 C ATOM 939 C ASN A 311 12.256 4.130 -6.990 1.00 0.37 C ATOM 940 O ASN A 311 12.678 5.194 -7.438 1.00 0.48 O ATOM 941 CB ASN A 311 12.431 3.221 -9.318 1.00 0.54 C ATOM 942 CG ASN A 311 13.068 2.105 -10.126 1.00 0.89 C ATOM 943 OD1 ASN A 311 14.288 1.990 -10.194 1.00 1.27 O ATOM 944 ND2 ASN A 311 12.246 1.283 -10.760 1.00 1.32 N ATOM 0 H ASN A 311 10.208 2.548 -7.880 1.00 0.35 H new ATOM 0 HA ASN A 311 13.139 2.260 -7.534 1.00 0.41 H new ATOM 0 HB2 ASN A 311 11.450 3.451 -9.733 1.00 0.54 H new ATOM 0 HB3 ASN A 311 13.036 4.123 -9.411 1.00 0.54 H new ATOM 0 HD21 ASN A 311 12.622 0.524 -11.328 1.00 1.32 H new ATOM 0 HD22 ASN A 311 11.237 1.409 -10.680 1.00 1.32 H new ATOM 951 N MET A 312 11.747 4.012 -5.772 1.00 0.30 N ATOM 952 CA MET A 312 11.667 5.147 -4.862 1.00 0.28 C ATOM 953 C MET A 312 12.042 4.721 -3.447 1.00 0.26 C ATOM 954 O MET A 312 11.994 3.534 -3.120 1.00 0.34 O ATOM 955 CB MET A 312 10.257 5.751 -4.875 1.00 0.28 C ATOM 956 CG MET A 312 9.955 6.571 -6.119 1.00 0.39 C ATOM 957 SD MET A 312 8.214 7.026 -6.251 1.00 0.37 S ATOM 958 CE MET A 312 8.008 8.018 -4.775 1.00 0.51 C ATOM 0 H MET A 312 11.382 3.140 -5.390 1.00 0.30 H new ATOM 0 HA MET A 312 12.373 5.906 -5.199 1.00 0.28 H new ATOM 0 HB2 MET A 312 9.526 4.947 -4.795 1.00 0.28 H new ATOM 0 HB3 MET A 312 10.134 6.383 -3.995 1.00 0.28 H new ATOM 0 HG2 MET A 312 10.562 7.476 -6.108 1.00 0.39 H new ATOM 0 HG3 MET A 312 10.245 6.003 -7.003 1.00 0.39 H new ATOM 0 HE1 MET A 312 7.032 8.503 -4.796 1.00 0.51 H new ATOM 0 HE2 MET A 312 8.077 7.379 -3.895 1.00 0.51 H new ATOM 0 HE3 MET A 312 8.789 8.777 -4.735 1.00 0.51 H new ATOM 968 N SER A 313 12.422 5.685 -2.619 1.00 0.26 N ATOM 969 CA SER A 313 12.806 5.406 -1.245 1.00 0.28 C ATOM 970 C SER A 313 11.582 5.044 -0.410 1.00 0.24 C ATOM 971 O SER A 313 10.458 5.413 -0.756 1.00 0.26 O ATOM 972 CB SER A 313 13.516 6.621 -0.650 1.00 0.36 C ATOM 973 OG SER A 313 13.074 7.818 -1.274 1.00 0.97 O ATOM 0 H SER A 313 12.472 6.670 -2.878 1.00 0.26 H new ATOM 0 HA SER A 313 13.488 4.556 -1.236 1.00 0.28 H new ATOM 0 HB2 SER A 313 13.324 6.672 0.422 1.00 0.36 H new ATOM 0 HB3 SER A 313 14.594 6.516 -0.776 1.00 0.36 H new ATOM 0 HG SER A 313 13.539 8.584 -0.878 1.00 0.97 H new ATOM 979 N ASN A 314 11.808 4.333 0.692 1.00 0.26 N ATOM 980 CA ASN A 314 10.723 3.909 1.579 1.00 0.27 C ATOM 981 C ASN A 314 9.884 5.101 2.033 1.00 0.25 C ATOM 982 O ASN A 314 8.656 5.072 1.965 1.00 0.33 O ATOM 983 CB ASN A 314 11.277 3.193 2.818 1.00 0.35 C ATOM 984 CG ASN A 314 12.052 1.922 2.501 1.00 0.37 C ATOM 985 OD1 ASN A 314 11.775 1.224 1.525 1.00 0.45 O ATOM 986 ND2 ASN A 314 13.032 1.612 3.338 1.00 0.48 N ATOM 0 H ASN A 314 12.736 4.036 0.995 1.00 0.26 H new ATOM 0 HA ASN A 314 10.095 3.222 1.012 1.00 0.27 H new ATOM 0 HB2 ASN A 314 11.928 3.878 3.361 1.00 0.35 H new ATOM 0 HB3 ASN A 314 10.450 2.946 3.483 1.00 0.35 H new ATOM 0 HD21 ASN A 314 13.587 0.770 3.184 1.00 0.48 H new ATOM 0 HD22 ASN A 314 13.231 2.216 4.136 1.00 0.48 H new ATOM 993 N ASP A 315 10.564 6.150 2.484 1.00 0.26 N ATOM 994 CA ASP A 315 9.902 7.363 2.967 1.00 0.28 C ATOM 995 C ASP A 315 9.034 7.990 1.885 1.00 0.23 C ATOM 996 O ASP A 315 7.854 8.269 2.103 1.00 0.24 O ATOM 997 CB ASP A 315 10.935 8.391 3.446 1.00 0.37 C ATOM 998 CG ASP A 315 11.528 8.051 4.800 1.00 0.83 C ATOM 999 OD1 ASP A 315 12.498 7.265 4.849 1.00 1.40 O ATOM 1000 OD2 ASP A 315 11.033 8.570 5.822 1.00 1.36 O ATOM 0 H ASP A 315 11.582 6.187 2.526 1.00 0.26 H new ATOM 0 HA ASP A 315 9.265 7.072 3.802 1.00 0.28 H new ATOM 0 HB2 ASP A 315 11.737 8.460 2.712 1.00 0.37 H new ATOM 0 HB3 ASP A 315 10.465 9.373 3.498 1.00 0.37 H new ATOM 1005 N ASP A 316 9.620 8.185 0.713 1.00 0.23 N ATOM 1006 CA ASP A 316 8.915 8.800 -0.407 1.00 0.24 C ATOM 1007 C ASP A 316 7.761 7.927 -0.887 1.00 0.19 C ATOM 1008 O ASP A 316 6.723 8.436 -1.311 1.00 0.20 O ATOM 1009 CB ASP A 316 9.883 9.091 -1.559 1.00 0.32 C ATOM 1010 CG ASP A 316 10.393 10.521 -1.540 1.00 0.50 C ATOM 1011 OD1 ASP A 316 9.831 11.349 -0.795 1.00 0.69 O ATOM 1012 OD2 ASP A 316 11.354 10.831 -2.279 1.00 0.88 O ATOM 0 H ASP A 316 10.586 7.926 0.510 1.00 0.23 H new ATOM 0 HA ASP A 316 8.495 9.743 -0.056 1.00 0.24 H new ATOM 0 HB2 ASP A 316 10.729 8.406 -1.501 1.00 0.32 H new ATOM 0 HB3 ASP A 316 9.382 8.899 -2.508 1.00 0.32 H new ATOM 1017 N ALA A 317 7.941 6.617 -0.803 1.00 0.17 N ATOM 1018 CA ALA A 317 6.919 5.673 -1.226 1.00 0.16 C ATOM 1019 C ALA A 317 5.631 5.857 -0.430 1.00 0.14 C ATOM 1020 O ALA A 317 4.545 5.944 -1.005 1.00 0.17 O ATOM 1021 CB ALA A 317 7.431 4.249 -1.083 1.00 0.20 C ATOM 0 H ALA A 317 8.791 6.182 -0.443 1.00 0.17 H new ATOM 0 HA ALA A 317 6.693 5.866 -2.275 1.00 0.16 H new ATOM 0 HB1 ALA A 317 6.658 3.550 -1.402 1.00 0.20 H new ATOM 0 HB2 ALA A 317 8.318 4.117 -1.703 1.00 0.20 H new ATOM 0 HB3 ALA A 317 7.685 4.057 -0.041 1.00 0.20 H new ATOM 1027 N VAL A 318 5.749 5.939 0.893 1.00 0.12 N ATOM 1028 CA VAL A 318 4.568 6.106 1.736 1.00 0.12 C ATOM 1029 C VAL A 318 3.994 7.513 1.597 1.00 0.11 C ATOM 1030 O VAL A 318 2.785 7.707 1.710 1.00 0.14 O ATOM 1031 CB VAL A 318 4.851 5.823 3.225 1.00 0.15 C ATOM 1032 CG1 VAL A 318 3.561 5.488 3.955 1.00 0.18 C ATOM 1033 CG2 VAL A 318 5.866 4.701 3.383 1.00 0.21 C ATOM 0 H VAL A 318 6.634 5.894 1.398 1.00 0.12 H new ATOM 0 HA VAL A 318 3.843 5.371 1.386 1.00 0.12 H new ATOM 0 HB VAL A 318 5.276 6.724 3.669 1.00 0.15 H new ATOM 0 HG11 VAL A 318 3.778 5.291 5.005 1.00 0.18 H new ATOM 0 HG12 VAL A 318 2.871 6.328 3.879 1.00 0.18 H new ATOM 0 HG13 VAL A 318 3.108 4.604 3.506 1.00 0.18 H new ATOM 0 HG21 VAL A 318 6.048 4.521 4.443 1.00 0.21 H new ATOM 0 HG22 VAL A 318 5.479 3.792 2.922 1.00 0.21 H new ATOM 0 HG23 VAL A 318 6.800 4.984 2.898 1.00 0.21 H new ATOM 1043 N ARG A 319 4.866 8.486 1.344 1.00 0.12 N ATOM 1044 CA ARG A 319 4.441 9.874 1.181 1.00 0.16 C ATOM 1045 C ARG A 319 3.392 9.989 0.077 1.00 0.14 C ATOM 1046 O ARG A 319 2.293 10.496 0.300 1.00 0.22 O ATOM 1047 CB ARG A 319 5.635 10.775 0.857 1.00 0.21 C ATOM 1048 CG ARG A 319 6.504 11.104 2.063 1.00 0.35 C ATOM 1049 CD ARG A 319 7.712 11.941 1.671 1.00 0.40 C ATOM 1050 NE ARG A 319 8.523 12.307 2.829 1.00 0.50 N ATOM 1051 CZ ARG A 319 9.854 12.380 2.824 1.00 0.61 C ATOM 1052 NH1 ARG A 319 10.541 12.117 1.718 1.00 0.83 N ATOM 1053 NH2 ARG A 319 10.496 12.719 3.931 1.00 0.81 N ATOM 0 H ARG A 319 5.871 8.339 1.247 1.00 0.12 H new ATOM 0 HA ARG A 319 4.001 10.202 2.123 1.00 0.16 H new ATOM 0 HB2 ARG A 319 6.250 10.288 0.100 1.00 0.21 H new ATOM 0 HB3 ARG A 319 5.269 11.704 0.421 1.00 0.21 H new ATOM 0 HG2 ARG A 319 5.912 11.643 2.803 1.00 0.35 H new ATOM 0 HG3 ARG A 319 6.838 10.180 2.534 1.00 0.35 H new ATOM 0 HD2 ARG A 319 8.324 11.384 0.961 1.00 0.40 H new ATOM 0 HD3 ARG A 319 7.377 12.845 1.163 1.00 0.40 H new ATOM 0 HE ARG A 319 8.038 12.521 3.701 1.00 0.50 H new ATOM 0 HH11 ARG A 319 10.050 11.857 0.863 1.00 0.83 H new ATOM 0 HH12 ARG A 319 11.559 12.176 1.724 1.00 0.83 H new ATOM 0 HH21 ARG A 319 9.972 12.923 4.782 1.00 0.81 H new ATOM 0 HH22 ARG A 319 11.514 12.776 3.933 1.00 0.81 H new ATOM 1067 N VAL A 320 3.730 9.490 -1.106 1.00 0.10 N ATOM 1068 CA VAL A 320 2.812 9.535 -2.240 1.00 0.10 C ATOM 1069 C VAL A 320 1.598 8.641 -1.983 1.00 0.09 C ATOM 1070 O VAL A 320 0.474 8.983 -2.352 1.00 0.11 O ATOM 1071 CB VAL A 320 3.506 9.105 -3.550 1.00 0.14 C ATOM 1072 CG1 VAL A 320 2.569 9.268 -4.738 1.00 0.17 C ATOM 1073 CG2 VAL A 320 4.774 9.909 -3.771 1.00 0.17 C ATOM 0 H VAL A 320 4.629 9.051 -1.306 1.00 0.10 H new ATOM 0 HA VAL A 320 2.483 10.568 -2.351 1.00 0.10 H new ATOM 0 HB VAL A 320 3.770 8.051 -3.461 1.00 0.14 H new ATOM 0 HG11 VAL A 320 3.080 8.959 -5.650 1.00 0.17 H new ATOM 0 HG12 VAL A 320 1.684 8.649 -4.591 1.00 0.17 H new ATOM 0 HG13 VAL A 320 2.271 10.313 -4.826 1.00 0.17 H new ATOM 0 HG21 VAL A 320 5.249 9.591 -4.699 1.00 0.17 H new ATOM 0 HG22 VAL A 320 4.527 10.969 -3.834 1.00 0.17 H new ATOM 0 HG23 VAL A 320 5.458 9.745 -2.939 1.00 0.17 H new ATOM 1083 N LEU A 321 1.832 7.509 -1.323 1.00 0.08 N ATOM 1084 CA LEU A 321 0.764 6.565 -1.001 1.00 0.09 C ATOM 1085 C LEU A 321 -0.346 7.251 -0.213 1.00 0.09 C ATOM 1086 O LEU A 321 -1.520 7.173 -0.574 1.00 0.10 O ATOM 1087 CB LEU A 321 1.316 5.393 -0.179 1.00 0.11 C ATOM 1088 CG LEU A 321 0.334 4.248 0.082 1.00 0.20 C ATOM 1089 CD1 LEU A 321 -0.270 3.746 -1.218 1.00 0.38 C ATOM 1090 CD2 LEU A 321 1.034 3.113 0.810 1.00 0.29 C ATOM 0 H LEU A 321 2.756 7.222 -0.999 1.00 0.08 H new ATOM 0 HA LEU A 321 0.355 6.190 -1.940 1.00 0.09 H new ATOM 0 HB2 LEU A 321 2.188 4.990 -0.694 1.00 0.11 H new ATOM 0 HB3 LEU A 321 1.662 5.777 0.781 1.00 0.11 H new ATOM 0 HG LEU A 321 -0.473 4.626 0.709 1.00 0.20 H new ATOM 0 HD11 LEU A 321 -0.964 2.933 -1.006 1.00 0.38 H new ATOM 0 HD12 LEU A 321 -0.803 4.560 -1.710 1.00 0.38 H new ATOM 0 HD13 LEU A 321 0.523 3.385 -1.872 1.00 0.38 H new ATOM 0 HD21 LEU A 321 0.325 2.305 0.990 1.00 0.29 H new ATOM 0 HD22 LEU A 321 1.859 2.744 0.201 1.00 0.29 H new ATOM 0 HD23 LEU A 321 1.421 3.475 1.762 1.00 0.29 H new ATOM 1102 N ARG A 322 0.045 7.946 0.848 1.00 0.10 N ATOM 1103 CA ARG A 322 -0.905 8.635 1.710 1.00 0.12 C ATOM 1104 C ARG A 322 -1.636 9.737 0.957 1.00 0.13 C ATOM 1105 O ARG A 322 -2.803 10.016 1.236 1.00 0.21 O ATOM 1106 CB ARG A 322 -0.192 9.188 2.948 1.00 0.15 C ATOM 1107 CG ARG A 322 0.585 8.121 3.708 1.00 0.19 C ATOM 1108 CD ARG A 322 1.193 8.659 4.990 1.00 0.34 C ATOM 1109 NE ARG A 322 0.381 8.330 6.161 1.00 0.49 N ATOM 1110 CZ ARG A 322 0.641 8.773 7.388 1.00 1.05 C ATOM 1111 NH1 ARG A 322 1.698 9.541 7.612 1.00 1.57 N ATOM 1112 NH2 ARG A 322 -0.153 8.432 8.393 1.00 1.28 N ATOM 0 H ARG A 322 1.019 8.047 1.133 1.00 0.10 H new ATOM 0 HA ARG A 322 -1.655 7.915 2.038 1.00 0.12 H new ATOM 0 HB2 ARG A 322 0.491 9.981 2.644 1.00 0.15 H new ATOM 0 HB3 ARG A 322 -0.928 9.639 3.614 1.00 0.15 H new ATOM 0 HG2 ARG A 322 -0.079 7.289 3.944 1.00 0.19 H new ATOM 0 HG3 ARG A 322 1.376 7.727 3.070 1.00 0.19 H new ATOM 0 HD2 ARG A 322 2.195 8.248 5.116 1.00 0.34 H new ATOM 0 HD3 ARG A 322 1.299 9.741 4.915 1.00 0.34 H new ATOM 0 HE ARG A 322 -0.431 7.727 6.029 1.00 0.49 H new ATOM 0 HH11 ARG A 322 2.316 9.795 6.842 1.00 1.57 H new ATOM 0 HH12 ARG A 322 1.893 9.878 8.555 1.00 1.57 H new ATOM 0 HH21 ARG A 322 -0.960 7.832 8.224 1.00 1.28 H new ATOM 0 HH22 ARG A 322 0.043 8.770 9.335 1.00 1.28 H new ATOM 1126 N GLU A 323 -0.960 10.351 -0.006 1.00 0.12 N ATOM 1127 CA GLU A 323 -1.573 11.404 -0.807 1.00 0.15 C ATOM 1128 C GLU A 323 -2.700 10.828 -1.658 1.00 0.14 C ATOM 1129 O GLU A 323 -3.792 11.392 -1.731 1.00 0.21 O ATOM 1130 CB GLU A 323 -0.534 12.077 -1.707 1.00 0.20 C ATOM 1131 CG GLU A 323 0.511 12.872 -0.945 1.00 0.62 C ATOM 1132 CD GLU A 323 -0.032 14.159 -0.356 1.00 1.27 C ATOM 1133 OE1 GLU A 323 -1.265 14.361 -0.366 1.00 1.87 O ATOM 1134 OE2 GLU A 323 0.774 14.983 0.127 1.00 1.76 O ATOM 0 H GLU A 323 0.007 10.140 -0.251 1.00 0.12 H new ATOM 0 HA GLU A 323 -1.982 12.153 -0.130 1.00 0.15 H new ATOM 0 HB2 GLU A 323 -0.034 11.314 -2.303 1.00 0.20 H new ATOM 0 HB3 GLU A 323 -1.046 12.741 -2.404 1.00 0.20 H new ATOM 0 HG2 GLU A 323 0.915 12.254 -0.143 1.00 0.62 H new ATOM 0 HG3 GLU A 323 1.339 13.107 -1.614 1.00 0.62 H new ATOM 1141 N ILE A 324 -2.429 9.690 -2.286 1.00 0.12 N ATOM 1142 CA ILE A 324 -3.410 9.022 -3.132 1.00 0.14 C ATOM 1143 C ILE A 324 -4.580 8.497 -2.304 1.00 0.14 C ATOM 1144 O ILE A 324 -5.735 8.633 -2.699 1.00 0.18 O ATOM 1145 CB ILE A 324 -2.772 7.855 -3.918 1.00 0.18 C ATOM 1146 CG1 ILE A 324 -1.592 8.364 -4.748 1.00 0.21 C ATOM 1147 CG2 ILE A 324 -3.802 7.177 -4.816 1.00 0.23 C ATOM 1148 CD1 ILE A 324 -0.755 7.259 -5.359 1.00 0.29 C ATOM 0 H ILE A 324 -1.532 9.208 -2.224 1.00 0.12 H new ATOM 0 HA ILE A 324 -3.779 9.763 -3.841 1.00 0.14 H new ATOM 0 HB ILE A 324 -2.408 7.116 -3.204 1.00 0.18 H new ATOM 0 HG12 ILE A 324 -1.969 9.005 -5.545 1.00 0.21 H new ATOM 0 HG13 ILE A 324 -0.955 8.983 -4.116 1.00 0.21 H new ATOM 0 HG21 ILE A 324 -3.329 6.359 -5.359 1.00 0.23 H new ATOM 0 HG22 ILE A 324 -4.615 6.785 -4.205 1.00 0.23 H new ATOM 0 HG23 ILE A 324 -4.199 7.902 -5.526 1.00 0.23 H new ATOM 0 HD11 ILE A 324 0.062 7.696 -5.933 1.00 0.29 H new ATOM 0 HD12 ILE A 324 -0.347 6.631 -4.567 1.00 0.29 H new ATOM 0 HD13 ILE A 324 -1.377 6.653 -6.018 1.00 0.29 H new ATOM 1160 N VAL A 325 -4.277 7.922 -1.144 1.00 0.11 N ATOM 1161 CA VAL A 325 -5.311 7.380 -0.263 1.00 0.13 C ATOM 1162 C VAL A 325 -6.194 8.500 0.302 1.00 0.16 C ATOM 1163 O VAL A 325 -7.320 8.264 0.739 1.00 0.24 O ATOM 1164 CB VAL A 325 -4.688 6.537 0.885 1.00 0.15 C ATOM 1165 CG1 VAL A 325 -5.764 6.002 1.824 1.00 0.19 C ATOM 1166 CG2 VAL A 325 -3.871 5.392 0.306 1.00 0.16 C ATOM 0 H VAL A 325 -3.326 7.819 -0.791 1.00 0.11 H new ATOM 0 HA VAL A 325 -5.940 6.720 -0.860 1.00 0.13 H new ATOM 0 HB VAL A 325 -4.031 7.185 1.466 1.00 0.15 H new ATOM 0 HG11 VAL A 325 -5.297 5.417 2.616 1.00 0.19 H new ATOM 0 HG12 VAL A 325 -6.311 6.836 2.263 1.00 0.19 H new ATOM 0 HG13 VAL A 325 -6.454 5.370 1.264 1.00 0.19 H new ATOM 0 HG21 VAL A 325 -3.438 4.807 1.118 1.00 0.16 H new ATOM 0 HG22 VAL A 325 -4.516 4.754 -0.298 1.00 0.16 H new ATOM 0 HG23 VAL A 325 -3.072 5.794 -0.317 1.00 0.16 H new ATOM 1176 N SER A 326 -5.691 9.727 0.266 1.00 0.19 N ATOM 1177 CA SER A 326 -6.449 10.869 0.758 1.00 0.24 C ATOM 1178 C SER A 326 -7.337 11.436 -0.349 1.00 0.27 C ATOM 1179 O SER A 326 -8.143 12.337 -0.112 1.00 0.44 O ATOM 1180 CB SER A 326 -5.510 11.958 1.277 1.00 0.32 C ATOM 1181 OG SER A 326 -4.710 11.477 2.346 1.00 0.37 O ATOM 0 H SER A 326 -4.766 9.956 -0.097 1.00 0.19 H new ATOM 0 HA SER A 326 -7.079 10.529 1.580 1.00 0.24 H new ATOM 0 HB2 SER A 326 -4.869 12.306 0.467 1.00 0.32 H new ATOM 0 HB3 SER A 326 -6.093 12.816 1.613 1.00 0.32 H new ATOM 0 HG SER A 326 -3.975 10.937 1.987 1.00 0.37 H new ATOM 1187 N GLN A 327 -7.189 10.897 -1.551 1.00 0.27 N ATOM 1188 CA GLN A 327 -7.965 11.353 -2.696 1.00 0.32 C ATOM 1189 C GLN A 327 -9.163 10.444 -2.920 1.00 0.34 C ATOM 1190 O GLN A 327 -9.038 9.221 -2.896 1.00 0.53 O ATOM 1191 CB GLN A 327 -7.101 11.386 -3.961 1.00 0.41 C ATOM 1192 CG GLN A 327 -7.059 12.749 -4.637 1.00 0.63 C ATOM 1193 CD GLN A 327 -6.372 13.803 -3.787 1.00 0.75 C ATOM 1194 OE1 GLN A 327 -5.421 13.384 -2.971 1.00 1.16 O flip ATOM 1195 NE2 GLN A 327 -6.692 14.989 -3.869 1.00 0.94 N flip ATOM 0 H GLN A 327 -6.537 10.141 -1.759 1.00 0.27 H new ATOM 0 HA GLN A 327 -8.316 12.363 -2.484 1.00 0.32 H new ATOM 0 HB2 GLN A 327 -6.085 11.086 -3.704 1.00 0.41 H new ATOM 0 HB3 GLN A 327 -7.481 10.650 -4.670 1.00 0.41 H new ATOM 0 HG2 GLN A 327 -6.539 12.661 -5.591 1.00 0.63 H new ATOM 0 HG3 GLN A 327 -8.076 13.072 -4.858 1.00 0.63 H new ATOM 0 HE21 GLN A 327 -7.431 15.275 -4.511 1.00 0.94 H new ATOM 0 HE22 GLN A 327 -6.218 15.686 -3.295 1.00 0.94 H new ATOM 1204 N THR A 328 -10.320 11.046 -3.131 1.00 0.42 N ATOM 1205 CA THR A 328 -11.535 10.294 -3.366 1.00 0.49 C ATOM 1206 C THR A 328 -11.532 9.690 -4.769 1.00 0.51 C ATOM 1207 O THR A 328 -11.244 10.379 -5.750 1.00 0.84 O ATOM 1208 CB THR A 328 -12.771 11.195 -3.189 1.00 0.66 C ATOM 1209 OG1 THR A 328 -12.353 12.539 -2.903 1.00 0.88 O ATOM 1210 CG2 THR A 328 -13.647 10.682 -2.059 1.00 0.89 C ATOM 0 H THR A 328 -10.442 12.059 -3.144 1.00 0.42 H new ATOM 0 HA THR A 328 -11.579 9.486 -2.635 1.00 0.49 H new ATOM 0 HB THR A 328 -13.348 11.181 -4.113 1.00 0.66 H new ATOM 0 HG1 THR A 328 -13.142 13.110 -2.793 1.00 0.88 H new ATOM 0 HG21 THR A 328 -14.516 11.331 -1.949 1.00 0.89 H new ATOM 0 HG22 THR A 328 -13.978 9.669 -2.286 1.00 0.89 H new ATOM 0 HG23 THR A 328 -13.077 10.678 -1.130 1.00 0.89 H new ATOM 1218 N GLY A 329 -11.822 8.403 -4.860 1.00 0.45 N ATOM 1219 CA GLY A 329 -11.853 7.739 -6.145 1.00 0.44 C ATOM 1220 C GLY A 329 -11.407 6.295 -6.056 1.00 0.39 C ATOM 1221 O GLY A 329 -11.194 5.784 -4.957 1.00 0.43 O ATOM 0 H GLY A 329 -12.037 7.804 -4.063 1.00 0.45 H new ATOM 0 HA2 GLY A 329 -12.865 7.780 -6.549 1.00 0.44 H new ATOM 0 HA3 GLY A 329 -11.209 8.274 -6.843 1.00 0.44 H new ATOM 1225 N PRO A 330 -11.285 5.602 -7.195 1.00 0.40 N ATOM 1226 CA PRO A 330 -10.856 4.205 -7.237 1.00 0.39 C ATOM 1227 C PRO A 330 -9.344 4.063 -7.084 1.00 0.36 C ATOM 1228 O PRO A 330 -8.568 4.704 -7.804 1.00 0.56 O ATOM 1229 CB PRO A 330 -11.297 3.727 -8.632 1.00 0.47 C ATOM 1230 CG PRO A 330 -12.029 4.871 -9.256 1.00 0.58 C ATOM 1231 CD PRO A 330 -11.573 6.107 -8.539 1.00 0.52 C ATOM 0 HA PRO A 330 -11.287 3.625 -6.421 1.00 0.39 H new ATOM 0 HB2 PRO A 330 -10.435 3.441 -9.235 1.00 0.47 H new ATOM 0 HB3 PRO A 330 -11.939 2.849 -8.557 1.00 0.47 H new ATOM 0 HG2 PRO A 330 -11.810 4.937 -10.322 1.00 0.58 H new ATOM 0 HG3 PRO A 330 -13.107 4.741 -9.159 1.00 0.58 H new ATOM 0 HD2 PRO A 330 -10.691 6.546 -9.006 1.00 0.52 H new ATOM 0 HD3 PRO A 330 -12.344 6.878 -8.527 1.00 0.52 H new ATOM 1239 N ILE A 331 -8.930 3.229 -6.145 1.00 0.27 N ATOM 1240 CA ILE A 331 -7.515 3.000 -5.896 1.00 0.25 C ATOM 1241 C ILE A 331 -7.144 1.555 -6.206 1.00 0.25 C ATOM 1242 O ILE A 331 -7.741 0.619 -5.669 1.00 0.30 O ATOM 1243 CB ILE A 331 -7.131 3.330 -4.433 1.00 0.29 C ATOM 1244 CG1 ILE A 331 -7.506 4.777 -4.101 1.00 0.31 C ATOM 1245 CG2 ILE A 331 -5.642 3.099 -4.203 1.00 0.37 C ATOM 1246 CD1 ILE A 331 -7.199 5.175 -2.672 1.00 0.35 C ATOM 0 H ILE A 331 -9.556 2.697 -5.540 1.00 0.27 H new ATOM 0 HA ILE A 331 -6.959 3.667 -6.555 1.00 0.25 H new ATOM 0 HB ILE A 331 -7.686 2.665 -3.771 1.00 0.29 H new ATOM 0 HG12 ILE A 331 -6.973 5.445 -4.777 1.00 0.31 H new ATOM 0 HG13 ILE A 331 -8.571 4.919 -4.287 1.00 0.31 H new ATOM 0 HG21 ILE A 331 -5.392 3.337 -3.169 1.00 0.37 H new ATOM 0 HG22 ILE A 331 -5.400 2.055 -4.404 1.00 0.37 H new ATOM 0 HG23 ILE A 331 -5.067 3.740 -4.871 1.00 0.37 H new ATOM 0 HD11 ILE A 331 -7.492 6.213 -2.512 1.00 0.35 H new ATOM 0 HD12 ILE A 331 -7.753 4.532 -1.988 1.00 0.35 H new ATOM 0 HD13 ILE A 331 -6.130 5.067 -2.486 1.00 0.35 H new ATOM 1258 N SER A 332 -6.169 1.386 -7.084 1.00 0.28 N ATOM 1259 CA SER A 332 -5.706 0.066 -7.474 1.00 0.31 C ATOM 1260 C SER A 332 -4.358 -0.233 -6.832 1.00 0.27 C ATOM 1261 O SER A 332 -3.366 0.454 -7.092 1.00 0.31 O ATOM 1262 CB SER A 332 -5.601 -0.018 -8.994 1.00 0.41 C ATOM 1263 OG SER A 332 -6.584 0.798 -9.608 1.00 1.09 O ATOM 0 H SER A 332 -5.680 2.154 -7.543 1.00 0.28 H new ATOM 0 HA SER A 332 -6.424 -0.677 -7.128 1.00 0.31 H new ATOM 0 HB2 SER A 332 -4.608 0.297 -9.313 1.00 0.41 H new ATOM 0 HB3 SER A 332 -5.726 -1.052 -9.316 1.00 0.41 H new ATOM 0 HG SER A 332 -6.299 1.735 -9.574 1.00 1.09 H new ATOM 1269 N LEU A 333 -4.328 -1.254 -5.992 1.00 0.27 N ATOM 1270 CA LEU A 333 -3.105 -1.635 -5.305 1.00 0.26 C ATOM 1271 C LEU A 333 -2.467 -2.853 -5.961 1.00 0.26 C ATOM 1272 O LEU A 333 -3.088 -3.912 -6.061 1.00 0.30 O ATOM 1273 CB LEU A 333 -3.377 -1.940 -3.828 1.00 0.29 C ATOM 1274 CG LEU A 333 -4.005 -0.804 -3.016 1.00 0.27 C ATOM 1275 CD1 LEU A 333 -4.174 -1.225 -1.564 1.00 0.48 C ATOM 1276 CD2 LEU A 333 -3.156 0.453 -3.108 1.00 0.39 C ATOM 0 H LEU A 333 -5.137 -1.834 -5.769 1.00 0.27 H new ATOM 0 HA LEU A 333 -2.418 -0.792 -5.374 1.00 0.26 H new ATOM 0 HB2 LEU A 333 -4.034 -2.808 -3.771 1.00 0.29 H new ATOM 0 HB3 LEU A 333 -2.436 -2.221 -3.356 1.00 0.29 H new ATOM 0 HG LEU A 333 -4.988 -0.584 -3.433 1.00 0.27 H new ATOM 0 HD11 LEU A 333 -4.622 -0.408 -0.998 1.00 0.48 H new ATOM 0 HD12 LEU A 333 -4.822 -2.100 -1.512 1.00 0.48 H new ATOM 0 HD13 LEU A 333 -3.200 -1.469 -1.140 1.00 0.48 H new ATOM 0 HD21 LEU A 333 -3.619 1.248 -2.524 1.00 0.39 H new ATOM 0 HD22 LEU A 333 -2.160 0.249 -2.716 1.00 0.39 H new ATOM 0 HD23 LEU A 333 -3.079 0.765 -4.150 1.00 0.39 H new ATOM 1288 N THR A 334 -1.239 -2.689 -6.417 1.00 0.24 N ATOM 1289 CA THR A 334 -0.505 -3.774 -7.039 1.00 0.26 C ATOM 1290 C THR A 334 0.474 -4.364 -6.031 1.00 0.26 C ATOM 1291 O THR A 334 1.508 -3.760 -5.733 1.00 0.28 O ATOM 1292 CB THR A 334 0.260 -3.285 -8.281 1.00 0.31 C ATOM 1293 OG1 THR A 334 -0.547 -2.360 -9.023 1.00 0.50 O ATOM 1294 CG2 THR A 334 0.649 -4.452 -9.171 1.00 0.42 C ATOM 0 H THR A 334 -0.727 -1.808 -6.367 1.00 0.24 H new ATOM 0 HA THR A 334 -1.216 -4.536 -7.357 1.00 0.26 H new ATOM 0 HB THR A 334 1.169 -2.786 -7.946 1.00 0.31 H new ATOM 0 HG1 THR A 334 -0.455 -1.464 -8.638 1.00 0.50 H new ATOM 0 HG21 THR A 334 1.189 -4.081 -10.042 1.00 0.42 H new ATOM 0 HG22 THR A 334 1.287 -5.138 -8.614 1.00 0.42 H new ATOM 0 HG23 THR A 334 -0.249 -4.976 -9.497 1.00 0.42 H new ATOM 1302 N VAL A 335 0.136 -5.524 -5.489 1.00 0.26 N ATOM 1303 CA VAL A 335 0.974 -6.171 -4.492 1.00 0.28 C ATOM 1304 C VAL A 335 1.709 -7.378 -5.060 1.00 0.28 C ATOM 1305 O VAL A 335 1.188 -8.093 -5.920 1.00 0.32 O ATOM 1306 CB VAL A 335 0.151 -6.623 -3.263 1.00 0.30 C ATOM 1307 CG1 VAL A 335 -0.174 -5.435 -2.373 1.00 0.33 C ATOM 1308 CG2 VAL A 335 -1.127 -7.335 -3.694 1.00 0.31 C ATOM 0 H VAL A 335 -0.714 -6.037 -5.723 1.00 0.26 H new ATOM 0 HA VAL A 335 1.705 -5.424 -4.184 1.00 0.28 H new ATOM 0 HB VAL A 335 0.755 -7.328 -2.692 1.00 0.30 H new ATOM 0 HG11 VAL A 335 -0.753 -5.772 -1.513 1.00 0.33 H new ATOM 0 HG12 VAL A 335 0.752 -4.974 -2.028 1.00 0.33 H new ATOM 0 HG13 VAL A 335 -0.754 -4.705 -2.938 1.00 0.33 H new ATOM 0 HG21 VAL A 335 -1.688 -7.643 -2.811 1.00 0.31 H new ATOM 0 HG22 VAL A 335 -1.736 -6.658 -4.293 1.00 0.31 H new ATOM 0 HG23 VAL A 335 -0.872 -8.214 -4.286 1.00 0.31 H new ATOM 1318 N ALA A 336 2.926 -7.585 -4.577 1.00 0.28 N ATOM 1319 CA ALA A 336 3.749 -8.710 -4.996 1.00 0.31 C ATOM 1320 C ALA A 336 3.568 -9.858 -4.016 1.00 0.33 C ATOM 1321 O ALA A 336 4.251 -9.926 -2.992 1.00 0.38 O ATOM 1322 CB ALA A 336 5.215 -8.303 -5.074 1.00 0.34 C ATOM 0 H ALA A 336 3.369 -6.980 -3.886 1.00 0.28 H new ATOM 0 HA ALA A 336 3.436 -9.031 -5.989 1.00 0.31 H new ATOM 0 HB1 ALA A 336 5.814 -9.158 -5.389 1.00 0.34 H new ATOM 0 HB2 ALA A 336 5.330 -7.494 -5.795 1.00 0.34 H new ATOM 0 HB3 ALA A 336 5.552 -7.966 -4.094 1.00 0.34 H new ATOM 1328 N LYS A 337 2.640 -10.745 -4.325 1.00 0.36 N ATOM 1329 CA LYS A 337 2.342 -11.872 -3.459 1.00 0.40 C ATOM 1330 C LYS A 337 3.184 -13.083 -3.824 1.00 0.47 C ATOM 1331 O LYS A 337 3.528 -13.231 -5.011 1.00 0.60 O ATOM 1332 CB LYS A 337 0.857 -12.213 -3.544 1.00 0.41 C ATOM 1333 CG LYS A 337 -0.045 -11.050 -3.172 1.00 0.37 C ATOM 1334 CD LYS A 337 -1.478 -11.496 -2.947 1.00 0.41 C ATOM 1335 CE LYS A 337 -1.578 -12.525 -1.832 1.00 0.39 C ATOM 1336 NZ LYS A 337 -0.870 -12.091 -0.597 1.00 0.38 N ATOM 1337 OXT LYS A 337 3.507 -13.880 -2.918 1.00 0.70 O ATOM 0 H LYS A 337 2.076 -10.706 -5.174 1.00 0.36 H new ATOM 0 HA LYS A 337 2.587 -11.591 -2.435 1.00 0.40 H new ATOM 0 HB2 LYS A 337 0.622 -12.537 -4.558 1.00 0.41 H new ATOM 0 HB3 LYS A 337 0.645 -13.054 -2.884 1.00 0.41 H new ATOM 0 HG2 LYS A 337 0.333 -10.572 -2.268 1.00 0.37 H new ATOM 0 HG3 LYS A 337 -0.018 -10.301 -3.964 1.00 0.37 H new ATOM 0 HD2 LYS A 337 -2.094 -10.631 -2.700 1.00 0.41 H new ATOM 0 HD3 LYS A 337 -1.877 -11.919 -3.869 1.00 0.41 H new ATOM 0 HE2 LYS A 337 -2.628 -12.707 -1.601 1.00 0.39 H new ATOM 0 HE3 LYS A 337 -1.159 -13.471 -2.175 1.00 0.39 H new ATOM 0 HZ1 LYS A 337 -1.037 -12.784 0.160 1.00 0.38 H new ATOM 0 HZ2 LYS A 337 0.150 -12.024 -0.787 1.00 0.38 H new ATOM 0 HZ3 LYS A 337 -1.228 -11.161 -0.300 1.00 0.38 H new ATOM 1369 N TRP B 2 0.862 5.029 7.952 1.00 0.14 N ATOM 1370 CA TRP B 2 -0.415 4.349 8.178 1.00 0.13 C ATOM 1371 C TRP B 2 -1.510 5.003 7.352 1.00 0.14 C ATOM 1372 O TRP B 2 -1.640 6.232 7.348 1.00 0.23 O ATOM 1373 CB TRP B 2 -0.806 4.403 9.660 1.00 0.19 C ATOM 1374 CG TRP B 2 -0.226 3.301 10.501 1.00 0.21 C ATOM 1375 CD1 TRP B 2 1.065 3.190 10.930 1.00 0.30 C ATOM 1376 CD2 TRP B 2 -0.928 2.166 11.031 1.00 0.24 C ATOM 1377 NE1 TRP B 2 1.212 2.057 11.692 1.00 0.32 N ATOM 1378 CE2 TRP B 2 0.004 1.410 11.770 1.00 0.28 C ATOM 1379 CE3 TRP B 2 -2.252 1.715 10.954 1.00 0.32 C ATOM 1380 CZ2 TRP B 2 -0.348 0.232 12.425 1.00 0.33 C ATOM 1381 CZ3 TRP B 2 -2.596 0.545 11.604 1.00 0.40 C ATOM 1382 CH2 TRP B 2 -1.649 -0.185 12.333 1.00 0.39 C ATOM 0 HA TRP B 2 -0.299 3.308 7.877 1.00 0.13 H new ATOM 0 HB2 TRP B 2 -0.489 5.361 10.071 1.00 0.19 H new ATOM 0 HB3 TRP B 2 -1.893 4.367 9.737 1.00 0.19 H new ATOM 0 HD1 TRP B 2 1.855 3.891 10.703 1.00 0.30 H new ATOM 0 HE1 TRP B 2 2.079 1.746 12.130 1.00 0.32 H new ATOM 0 HE3 TRP B 2 -2.991 2.272 10.397 1.00 0.32 H new ATOM 0 HZ2 TRP B 2 0.381 -0.333 12.987 1.00 0.33 H new ATOM 0 HZ3 TRP B 2 -3.613 0.187 11.549 1.00 0.40 H new ATOM 0 HH2 TRP B 2 -1.951 -1.094 12.832 1.00 0.39 H new ATOM 1393 N VAL B 3 -2.284 4.191 6.646 1.00 0.09 N ATOM 1394 CA VAL B 3 -3.384 4.691 5.833 1.00 0.11 C ATOM 1395 C VAL B 3 -4.503 3.667 5.787 1.00 0.14 C ATOM 1396 O VAL B 3 -5.685 4.068 5.816 1.00 0.24 O ATOM 1397 CB VAL B 3 -2.967 5.053 4.389 1.00 0.14 C ATOM 1398 CG1 VAL B 3 -2.579 6.517 4.303 1.00 0.21 C ATOM 1399 CG2 VAL B 3 -1.835 4.170 3.878 1.00 0.11 C ATOM 1400 OXT VAL B 3 -4.195 2.463 5.762 1.00 0.27 O ATOM 0 H VAL B 3 -2.170 3.178 6.620 1.00 0.09 H new ATOM 0 HA VAL B 3 -3.722 5.611 6.310 1.00 0.11 H new ATOM 0 HB VAL B 3 -3.830 4.874 3.747 1.00 0.14 H new ATOM 0 HG11 VAL B 3 -2.288 6.757 3.280 1.00 0.21 H new ATOM 0 HG12 VAL B 3 -3.428 7.136 4.593 1.00 0.21 H new ATOM 0 HG13 VAL B 3 -1.742 6.712 4.974 1.00 0.21 H new ATOM 0 HG21 VAL B 3 -1.577 4.462 2.860 1.00 0.11 H new ATOM 0 HG22 VAL B 3 -0.963 4.288 4.521 1.00 0.11 H new ATOM 0 HG23 VAL B 3 -2.154 3.128 3.887 1.00 0.11 H new