USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 703 hydrogens (7 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= 2.25 K(o=2.3,f=-7.6!) USER MOD Set 1.2: A 332 SER OG : rot 28:sc= 0.0136 USER MOD Set 2.1: A 270 SER OG : rot 180:sc= 0.756 USER MOD Set 2.2: A 314 ASN : amide:sc= 0.442 K(o=1.2,f=-2!) USER MOD Single : A 248 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.5!) 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= 0.23 K(o=0.23,f=-6.9!) USER MOD Single : A 256 MET CE :methyl -158:sc= -0.0585 (180deg=-0.979) USER MOD Single : A 259 HIS : no HE2:sc= -0.0143 K(o=-0.014,f=-0.91) USER MOD Single : A 260 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 265 SER OG : rot -105:sc= 0.856 USER MOD Single : A 269 GLN : amide:sc= -0.0297 X(o=-0.03,f=-0.15) USER MOD Single : A 271 ASN : amide:sc= 0.896 K(o=0.9,f=-7.9!) USER MOD Single : A 279 TYR OH : rot -54:sc= 0.339 USER MOD Single : A 282 SER OG : rot 180:sc=-0.00192 USER MOD Single : A 284 MET CE :methyl 165:sc= -0.0384 (180deg=-0.0638) USER MOD Single : A 285 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0318) USER MOD Single : A 300 MET CE :methyl 150:sc= 0 (180deg=-1.03) USER MOD Single : A 303 GLN : amide:sc= -0.776 X(o=-0.78,f=-0.51) USER MOD Single : A 308 ASN : amide:sc= 0.728 K(o=0.73,f=-6.3!) USER MOD Single : A 311 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 312 MET CE :methyl -165:sc= -0.122 (180deg=-0.847) USER MOD Single : A 313 SER OG : rot -110:sc= 1.56 USER MOD Single : A 326 SER OG : rot 81:sc= 1.26 USER MOD Single : A 327 GLN : amide:sc= -0.0688 X(o=-0.069,f=0) USER MOD Single : A 328 THR OG1 : rot 180:sc= 0.0668 USER MOD Single : A 334 THR OG1 : rot 77:sc= -0.0423 USER MOD Single : A 337 LYS NZ :NH3+ 171:sc= 1.31 (180deg=1.31!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 248 4.549 -13.514 -7.073 1.00 0.52 N ATOM 2 CA ASN A 248 3.112 -13.499 -7.429 1.00 0.49 C ATOM 3 C ASN A 248 2.557 -12.085 -7.294 1.00 0.44 C ATOM 4 O ASN A 248 2.252 -11.630 -6.197 1.00 0.47 O ATOM 5 CB ASN A 248 2.337 -14.461 -6.520 1.00 0.57 C ATOM 6 CG ASN A 248 0.944 -14.770 -7.033 1.00 0.70 C ATOM 7 OD1 ASN A 248 0.349 -13.989 -7.770 1.00 0.99 O ATOM 8 ND2 ASN A 248 0.408 -15.916 -6.638 1.00 1.26 N ATOM 0 HA ASN A 248 2.998 -13.824 -8.463 1.00 0.49 H new ATOM 0 HB2 ASN A 248 2.897 -15.391 -6.424 1.00 0.57 H new ATOM 0 HB3 ASN A 248 2.263 -14.029 -5.522 1.00 0.57 H new ATOM 0 HD21 ASN A 248 -0.529 -16.174 -6.947 1.00 1.26 H new ATOM 0 HD22 ASN A 248 0.933 -16.540 -6.025 1.00 1.26 H new ATOM 17 N ILE A 249 2.451 -11.385 -8.411 1.00 0.45 N ATOM 18 CA ILE A 249 1.939 -10.024 -8.407 1.00 0.43 C ATOM 19 C ILE A 249 0.435 -10.013 -8.648 1.00 0.42 C ATOM 20 O ILE A 249 -0.057 -10.632 -9.596 1.00 0.50 O ATOM 21 CB ILE A 249 2.637 -9.160 -9.478 1.00 0.47 C ATOM 22 CG1 ILE A 249 4.158 -9.214 -9.304 1.00 0.54 C ATOM 23 CG2 ILE A 249 2.145 -7.725 -9.405 1.00 0.50 C ATOM 24 CD1 ILE A 249 4.920 -8.445 -10.362 1.00 0.65 C ATOM 0 H ILE A 249 2.712 -11.736 -9.332 1.00 0.45 H new ATOM 0 HA ILE A 249 2.149 -9.600 -7.425 1.00 0.43 H new ATOM 0 HB ILE A 249 2.388 -9.561 -10.460 1.00 0.47 H new ATOM 0 HG12 ILE A 249 4.417 -8.817 -8.322 1.00 0.54 H new ATOM 0 HG13 ILE A 249 4.480 -10.255 -9.322 1.00 0.54 H new ATOM 0 HG21 ILE A 249 2.647 -7.129 -10.167 1.00 0.50 H new ATOM 0 HG22 ILE A 249 1.069 -7.700 -9.576 1.00 0.50 H new ATOM 0 HG23 ILE A 249 2.365 -7.314 -8.420 1.00 0.50 H new ATOM 0 HD11 ILE A 249 5.990 -8.529 -10.173 1.00 0.65 H new ATOM 0 HD12 ILE A 249 4.692 -8.856 -11.346 1.00 0.65 H new ATOM 0 HD13 ILE A 249 4.628 -7.395 -10.330 1.00 0.65 H new ATOM 36 N ILE A 250 -0.291 -9.324 -7.781 1.00 0.39 N ATOM 37 CA ILE A 250 -1.737 -9.235 -7.903 1.00 0.41 C ATOM 38 C ILE A 250 -2.200 -7.786 -7.826 1.00 0.37 C ATOM 39 O ILE A 250 -1.894 -7.078 -6.864 1.00 0.36 O ATOM 40 CB ILE A 250 -2.461 -10.049 -6.808 1.00 0.44 C ATOM 41 CG1 ILE A 250 -1.906 -11.475 -6.738 1.00 0.48 C ATOM 42 CG2 ILE A 250 -3.961 -10.075 -7.075 1.00 0.55 C ATOM 43 CD1 ILE A 250 -2.558 -12.332 -5.676 1.00 0.54 C ATOM 0 H ILE A 250 0.098 -8.818 -6.985 1.00 0.39 H new ATOM 0 HA ILE A 250 -1.993 -9.654 -8.876 1.00 0.41 H new ATOM 0 HB ILE A 250 -2.285 -9.566 -5.847 1.00 0.44 H new ATOM 0 HG12 ILE A 250 -2.036 -11.954 -7.709 1.00 0.48 H new ATOM 0 HG13 ILE A 250 -0.834 -11.429 -6.547 1.00 0.48 H new ATOM 0 HG21 ILE A 250 -4.459 -10.652 -6.296 1.00 0.55 H new ATOM 0 HG22 ILE A 250 -4.348 -9.056 -7.076 1.00 0.55 H new ATOM 0 HG23 ILE A 250 -4.150 -10.536 -8.045 1.00 0.55 H new ATOM 0 HD11 ILE A 250 -2.113 -13.327 -5.687 1.00 0.54 H new ATOM 0 HD12 ILE A 250 -2.405 -11.877 -4.697 1.00 0.54 H new ATOM 0 HD13 ILE A 250 -3.626 -12.410 -5.877 1.00 0.54 H new ATOM 55 N THR A 251 -2.914 -7.347 -8.848 1.00 0.40 N ATOM 56 CA THR A 251 -3.442 -5.995 -8.887 1.00 0.39 C ATOM 57 C THR A 251 -4.878 -5.997 -8.378 1.00 0.40 C ATOM 58 O THR A 251 -5.798 -6.406 -9.088 1.00 0.48 O ATOM 59 CB THR A 251 -3.405 -5.422 -10.316 1.00 0.46 C ATOM 60 OG1 THR A 251 -2.181 -5.803 -10.965 1.00 0.59 O ATOM 61 CG2 THR A 251 -3.519 -3.904 -10.294 1.00 0.47 C ATOM 0 H THR A 251 -3.142 -7.911 -9.666 1.00 0.40 H new ATOM 0 HA THR A 251 -2.819 -5.366 -8.251 1.00 0.39 H new ATOM 0 HB THR A 251 -4.253 -5.827 -10.868 1.00 0.46 H new ATOM 0 HG1 THR A 251 -2.165 -5.437 -11.874 1.00 0.59 H new ATOM 0 HG21 THR A 251 -3.491 -3.522 -11.315 1.00 0.47 H new ATOM 0 HG22 THR A 251 -4.460 -3.617 -9.825 1.00 0.47 H new ATOM 0 HG23 THR A 251 -2.688 -3.485 -9.727 1.00 0.47 H new ATOM 69 N VAL A 252 -5.065 -5.567 -7.142 1.00 0.36 N ATOM 70 CA VAL A 252 -6.393 -5.547 -6.546 1.00 0.38 C ATOM 71 C VAL A 252 -7.007 -4.152 -6.581 1.00 0.35 C ATOM 72 O VAL A 252 -6.298 -3.146 -6.525 1.00 0.39 O ATOM 73 CB VAL A 252 -6.367 -6.045 -5.083 1.00 0.41 C ATOM 74 CG1 VAL A 252 -5.800 -7.450 -5.004 1.00 0.50 C ATOM 75 CG2 VAL A 252 -5.564 -5.105 -4.196 1.00 0.40 C ATOM 0 H VAL A 252 -4.320 -5.228 -6.533 1.00 0.36 H new ATOM 0 HA VAL A 252 -7.006 -6.221 -7.145 1.00 0.38 H new ATOM 0 HB VAL A 252 -7.395 -6.061 -4.721 1.00 0.41 H new ATOM 0 HG11 VAL A 252 -5.791 -7.781 -3.965 1.00 0.50 H new ATOM 0 HG12 VAL A 252 -6.419 -8.126 -5.595 1.00 0.50 H new ATOM 0 HG13 VAL A 252 -4.783 -7.454 -5.395 1.00 0.50 H new ATOM 0 HG21 VAL A 252 -5.564 -5.481 -3.173 1.00 0.40 H new ATOM 0 HG22 VAL A 252 -4.539 -5.047 -4.562 1.00 0.40 H new ATOM 0 HG23 VAL A 252 -6.013 -4.112 -4.217 1.00 0.40 H new ATOM 85 N THR A 253 -8.326 -4.103 -6.695 1.00 0.39 N ATOM 86 CA THR A 253 -9.046 -2.844 -6.703 1.00 0.40 C ATOM 87 C THR A 253 -9.929 -2.775 -5.462 1.00 0.39 C ATOM 88 O THR A 253 -10.661 -3.719 -5.151 1.00 0.54 O ATOM 89 CB THR A 253 -9.893 -2.654 -7.987 1.00 0.50 C ATOM 90 OG1 THR A 253 -10.642 -1.433 -7.917 1.00 0.76 O ATOM 91 CG2 THR A 253 -10.840 -3.825 -8.214 1.00 0.79 C ATOM 0 H THR A 253 -8.920 -4.927 -6.784 1.00 0.39 H new ATOM 0 HA THR A 253 -8.317 -2.033 -6.693 1.00 0.40 H new ATOM 0 HB THR A 253 -9.202 -2.608 -8.829 1.00 0.50 H new ATOM 0 HG1 THR A 253 -11.170 -1.326 -8.735 1.00 0.76 H new ATOM 0 HG21 THR A 253 -11.417 -3.656 -9.123 1.00 0.79 H new ATOM 0 HG22 THR A 253 -10.264 -4.745 -8.316 1.00 0.79 H new ATOM 0 HG23 THR A 253 -11.518 -3.914 -7.365 1.00 0.79 H new ATOM 99 N LEU A 254 -9.839 -1.672 -4.740 1.00 0.33 N ATOM 100 CA LEU A 254 -10.608 -1.509 -3.520 1.00 0.35 C ATOM 101 C LEU A 254 -11.693 -0.452 -3.678 1.00 0.35 C ATOM 102 O LEU A 254 -11.540 0.509 -4.436 1.00 0.37 O ATOM 103 CB LEU A 254 -9.676 -1.158 -2.361 1.00 0.36 C ATOM 104 CG LEU A 254 -8.567 -2.179 -2.095 1.00 0.39 C ATOM 105 CD1 LEU A 254 -7.638 -1.682 -1.003 1.00 0.46 C ATOM 106 CD2 LEU A 254 -9.161 -3.525 -1.710 1.00 0.45 C ATOM 0 H LEU A 254 -9.243 -0.879 -4.977 1.00 0.33 H new ATOM 0 HA LEU A 254 -11.106 -2.454 -3.303 1.00 0.35 H new ATOM 0 HB2 LEU A 254 -9.218 -0.190 -2.563 1.00 0.36 H new ATOM 0 HB3 LEU A 254 -10.272 -1.046 -1.455 1.00 0.36 H new ATOM 0 HG LEU A 254 -7.990 -2.305 -3.011 1.00 0.39 H new ATOM 0 HD11 LEU A 254 -6.856 -2.420 -0.827 1.00 0.46 H new ATOM 0 HD12 LEU A 254 -7.185 -0.740 -1.312 1.00 0.46 H new ATOM 0 HD13 LEU A 254 -8.205 -1.528 -0.085 1.00 0.46 H new ATOM 0 HD21 LEU A 254 -8.357 -4.238 -1.525 1.00 0.45 H new ATOM 0 HD22 LEU A 254 -9.762 -3.413 -0.807 1.00 0.45 H new ATOM 0 HD23 LEU A 254 -9.790 -3.890 -2.521 1.00 0.45 H new ATOM 118 N ASN A 255 -12.784 -0.640 -2.948 1.00 0.40 N ATOM 119 CA ASN A 255 -13.917 0.271 -2.999 1.00 0.44 C ATOM 120 C ASN A 255 -13.809 1.334 -1.913 1.00 0.40 C ATOM 121 O ASN A 255 -13.816 1.023 -0.717 1.00 0.39 O ATOM 122 CB ASN A 255 -15.225 -0.510 -2.843 1.00 0.50 C ATOM 123 CG ASN A 255 -16.441 0.394 -2.793 1.00 0.55 C ATOM 124 OD1 ASN A 255 -16.877 0.815 -1.720 1.00 0.52 O ATOM 125 ND2 ASN A 255 -16.991 0.705 -3.954 1.00 0.65 N ATOM 0 H ASN A 255 -12.908 -1.424 -2.307 1.00 0.40 H new ATOM 0 HA ASN A 255 -13.912 0.771 -3.968 1.00 0.44 H new ATOM 0 HB2 ASN A 255 -15.329 -1.207 -3.674 1.00 0.50 H new ATOM 0 HB3 ASN A 255 -15.182 -1.106 -1.931 1.00 0.50 H new ATOM 0 HD21 ASN A 255 -17.808 1.315 -3.984 1.00 0.65 H new ATOM 0 HD22 ASN A 255 -16.599 0.335 -4.820 1.00 0.65 H new ATOM 132 N MET A 256 -13.720 2.587 -2.337 1.00 0.41 N ATOM 133 CA MET A 256 -13.609 3.708 -1.415 1.00 0.41 C ATOM 134 C MET A 256 -14.956 4.393 -1.211 1.00 0.44 C ATOM 135 O MET A 256 -15.027 5.524 -0.726 1.00 0.49 O ATOM 136 CB MET A 256 -12.584 4.717 -1.926 1.00 0.43 C ATOM 137 CG MET A 256 -11.156 4.373 -1.544 1.00 0.45 C ATOM 138 SD MET A 256 -10.884 4.469 0.239 1.00 0.56 S ATOM 139 CE MET A 256 -11.016 6.238 0.505 1.00 0.63 C ATOM 0 H MET A 256 -13.723 2.854 -3.322 1.00 0.41 H new ATOM 0 HA MET A 256 -13.277 3.316 -0.454 1.00 0.41 H new ATOM 0 HB2 MET A 256 -12.657 4.779 -3.012 1.00 0.43 H new ATOM 0 HB3 MET A 256 -12.830 5.704 -1.533 1.00 0.43 H new ATOM 0 HG2 MET A 256 -10.921 3.367 -1.892 1.00 0.45 H new ATOM 0 HG3 MET A 256 -10.472 5.054 -2.051 1.00 0.45 H new ATOM 0 HE1 MET A 256 -10.505 6.506 1.430 1.00 0.63 H new ATOM 0 HE2 MET A 256 -10.557 6.767 -0.330 1.00 0.63 H new ATOM 0 HE3 MET A 256 -12.067 6.518 0.577 1.00 0.63 H new ATOM 149 N GLU A 257 -16.026 3.711 -1.593 1.00 0.46 N ATOM 150 CA GLU A 257 -17.367 4.251 -1.428 1.00 0.51 C ATOM 151 C GLU A 257 -17.879 3.912 -0.037 1.00 0.49 C ATOM 152 O GLU A 257 -18.355 4.781 0.696 1.00 0.56 O ATOM 153 CB GLU A 257 -18.317 3.699 -2.494 1.00 0.56 C ATOM 154 CG GLU A 257 -17.819 3.892 -3.919 1.00 0.67 C ATOM 155 CD GLU A 257 -17.412 5.320 -4.222 1.00 0.86 C ATOM 156 OE1 GLU A 257 -18.029 6.256 -3.666 1.00 1.23 O ATOM 157 OE2 GLU A 257 -16.478 5.513 -5.029 1.00 1.27 O ATOM 0 H GLU A 257 -15.992 2.785 -2.018 1.00 0.46 H new ATOM 0 HA GLU A 257 -17.327 5.334 -1.547 1.00 0.51 H new ATOM 0 HB2 GLU A 257 -18.472 2.635 -2.314 1.00 0.56 H new ATOM 0 HB3 GLU A 257 -19.287 4.184 -2.389 1.00 0.56 H new ATOM 0 HG2 GLU A 257 -16.967 3.234 -4.091 1.00 0.67 H new ATOM 0 HG3 GLU A 257 -18.602 3.589 -4.614 1.00 0.67 H new ATOM 164 N ARG A 258 -17.755 2.643 0.325 1.00 0.45 N ATOM 165 CA ARG A 258 -18.189 2.171 1.632 1.00 0.45 C ATOM 166 C ARG A 258 -17.074 2.361 2.658 1.00 0.43 C ATOM 167 O ARG A 258 -17.319 2.443 3.858 1.00 0.63 O ATOM 168 CB ARG A 258 -18.587 0.694 1.553 1.00 0.48 C ATOM 169 CG ARG A 258 -19.181 0.148 2.842 1.00 0.56 C ATOM 170 CD ARG A 258 -19.289 -1.368 2.809 1.00 0.64 C ATOM 171 NE ARG A 258 -19.765 -1.915 4.080 1.00 0.75 N ATOM 172 CZ ARG A 258 -19.929 -3.215 4.317 1.00 0.86 C ATOM 173 NH1 ARG A 258 -19.658 -4.108 3.374 1.00 1.01 N ATOM 174 NH2 ARG A 258 -20.364 -3.624 5.501 1.00 1.06 N ATOM 0 H ARG A 258 -17.355 1.919 -0.272 1.00 0.45 H new ATOM 0 HA ARG A 258 -19.056 2.753 1.945 1.00 0.45 H new ATOM 0 HB2 ARG A 258 -19.310 0.565 0.748 1.00 0.48 H new ATOM 0 HB3 ARG A 258 -17.709 0.104 1.290 1.00 0.48 H new ATOM 0 HG2 ARG A 258 -18.561 0.451 3.686 1.00 0.56 H new ATOM 0 HG3 ARG A 258 -20.169 0.581 3.000 1.00 0.56 H new ATOM 0 HD2 ARG A 258 -19.968 -1.665 2.010 1.00 0.64 H new ATOM 0 HD3 ARG A 258 -18.314 -1.795 2.574 1.00 0.64 H new ATOM 0 HE ARG A 258 -19.985 -1.260 4.831 1.00 0.75 H new ATOM 0 HH11 ARG A 258 -19.322 -3.800 2.461 1.00 1.01 H new ATOM 0 HH12 ARG A 258 -19.786 -5.102 3.562 1.00 1.01 H new ATOM 0 HH21 ARG A 258 -20.573 -2.943 6.231 1.00 1.06 H new ATOM 0 HH22 ARG A 258 -20.489 -4.620 5.682 1.00 1.06 H new ATOM 188 N HIS A 259 -15.844 2.442 2.171 1.00 0.37 N ATOM 189 CA HIS A 259 -14.690 2.609 3.045 1.00 0.35 C ATOM 190 C HIS A 259 -14.145 4.023 2.941 1.00 0.40 C ATOM 191 O HIS A 259 -14.342 4.693 1.932 1.00 0.63 O ATOM 192 CB HIS A 259 -13.604 1.594 2.687 1.00 0.38 C ATOM 193 CG HIS A 259 -14.031 0.177 2.909 1.00 0.46 C ATOM 194 ND1 HIS A 259 -14.216 -0.725 1.883 1.00 0.61 N ATOM 195 CD2 HIS A 259 -14.335 -0.487 4.049 1.00 0.58 C ATOM 196 CE1 HIS A 259 -14.619 -1.879 2.384 1.00 0.76 C ATOM 197 NE2 HIS A 259 -14.698 -1.760 3.697 1.00 0.75 N ATOM 0 H HIS A 259 -15.619 2.395 1.177 1.00 0.37 H new ATOM 0 HA HIS A 259 -15.006 2.435 4.074 1.00 0.35 H new ATOM 0 HB2 HIS A 259 -13.324 1.724 1.642 1.00 0.38 H new ATOM 0 HB3 HIS A 259 -12.714 1.797 3.283 1.00 0.38 H new ATOM 0 HD1 HIS A 259 -14.065 -0.532 0.893 1.00 0.61 H new ATOM 0 HD2 HIS A 259 -14.298 -0.087 5.051 1.00 0.58 H new ATOM 0 HE1 HIS A 259 -14.846 -2.769 1.816 1.00 0.76 H new ATOM 206 N HIS A 260 -13.474 4.483 3.988 1.00 0.36 N ATOM 207 CA HIS A 260 -12.910 5.831 3.996 1.00 0.42 C ATOM 208 C HIS A 260 -11.386 5.794 4.069 1.00 0.35 C ATOM 209 O HIS A 260 -10.733 6.837 4.035 1.00 0.42 O ATOM 210 CB HIS A 260 -13.458 6.635 5.181 1.00 0.56 C ATOM 211 CG HIS A 260 -14.902 7.020 5.050 1.00 0.71 C ATOM 212 ND1 HIS A 260 -15.317 8.212 4.498 1.00 0.97 N ATOM 213 CD2 HIS A 260 -16.030 6.361 5.409 1.00 0.88 C ATOM 214 CE1 HIS A 260 -16.635 8.270 4.522 1.00 1.09 C ATOM 215 NE2 HIS A 260 -17.095 7.161 5.072 1.00 1.01 N ATOM 0 H HIS A 260 -13.306 3.948 4.840 1.00 0.36 H new ATOM 0 HA HIS A 260 -13.202 6.314 3.064 1.00 0.42 H new ATOM 0 HB2 HIS A 260 -13.331 6.050 6.092 1.00 0.56 H new ATOM 0 HB3 HIS A 260 -12.862 7.540 5.298 1.00 0.56 H new ATOM 0 HD2 HIS A 260 -16.082 5.388 5.874 1.00 0.88 H new ATOM 0 HE1 HIS A 260 -17.237 9.088 4.154 1.00 1.09 H new ATOM 0 HE2 HIS A 260 -18.078 6.936 5.222 1.00 1.01 H new ATOM 224 N PHE A 261 -10.825 4.594 4.162 1.00 0.30 N ATOM 225 CA PHE A 261 -9.378 4.437 4.254 1.00 0.25 C ATOM 226 C PHE A 261 -8.951 3.045 3.804 1.00 0.21 C ATOM 227 O PHE A 261 -9.790 2.165 3.586 1.00 0.22 O ATOM 228 CB PHE A 261 -8.898 4.698 5.691 1.00 0.28 C ATOM 229 CG PHE A 261 -9.656 3.941 6.749 1.00 0.32 C ATOM 230 CD1 PHE A 261 -9.272 2.659 7.116 1.00 0.36 C ATOM 231 CD2 PHE A 261 -10.747 4.515 7.382 1.00 0.52 C ATOM 232 CE1 PHE A 261 -9.963 1.966 8.094 1.00 0.44 C ATOM 233 CE2 PHE A 261 -11.441 3.826 8.358 1.00 0.62 C ATOM 234 CZ PHE A 261 -11.049 2.550 8.713 1.00 0.52 C ATOM 0 H PHE A 261 -11.348 3.718 4.176 1.00 0.30 H new ATOM 0 HA PHE A 261 -8.918 5.169 3.590 1.00 0.25 H new ATOM 0 HB2 PHE A 261 -7.842 4.437 5.761 1.00 0.28 H new ATOM 0 HB3 PHE A 261 -8.977 5.765 5.899 1.00 0.28 H new ATOM 0 HD1 PHE A 261 -8.424 2.197 6.633 1.00 0.36 H new ATOM 0 HD2 PHE A 261 -11.058 5.513 7.109 1.00 0.52 H new ATOM 0 HE1 PHE A 261 -9.653 0.970 8.372 1.00 0.44 H new ATOM 0 HE2 PHE A 261 -12.290 4.285 8.843 1.00 0.62 H new ATOM 0 HZ PHE A 261 -11.592 2.010 9.474 1.00 0.52 H new ATOM 244 N LEU A 262 -7.644 2.849 3.689 1.00 0.17 N ATOM 245 CA LEU A 262 -7.091 1.574 3.266 1.00 0.14 C ATOM 246 C LEU A 262 -7.108 0.588 4.426 1.00 0.12 C ATOM 247 O LEU A 262 -7.614 -0.531 4.303 1.00 0.14 O ATOM 248 CB LEU A 262 -5.660 1.766 2.740 1.00 0.14 C ATOM 249 CG LEU A 262 -5.544 2.171 1.268 1.00 0.19 C ATOM 250 CD1 LEU A 262 -4.128 1.942 0.762 1.00 0.23 C ATOM 251 CD2 LEU A 262 -6.542 1.404 0.413 1.00 0.34 C ATOM 0 H LEU A 262 -6.944 3.565 3.885 1.00 0.17 H new ATOM 0 HA LEU A 262 -7.703 1.171 2.459 1.00 0.14 H new ATOM 0 HB2 LEU A 262 -5.168 2.526 3.347 1.00 0.14 H new ATOM 0 HB3 LEU A 262 -5.111 0.836 2.887 1.00 0.14 H new ATOM 0 HG LEU A 262 -5.774 3.234 1.191 1.00 0.19 H new ATOM 0 HD11 LEU A 262 -4.064 2.235 -0.286 1.00 0.23 H new ATOM 0 HD12 LEU A 262 -3.431 2.540 1.349 1.00 0.23 H new ATOM 0 HD13 LEU A 262 -3.873 0.887 0.860 1.00 0.23 H new ATOM 0 HD21 LEU A 262 -6.440 1.710 -0.628 1.00 0.34 H new ATOM 0 HD22 LEU A 262 -6.348 0.335 0.498 1.00 0.34 H new ATOM 0 HD23 LEU A 262 -7.554 1.617 0.756 1.00 0.34 H new ATOM 263 N GLY A 263 -6.571 1.019 5.555 1.00 0.11 N ATOM 264 CA GLY A 263 -6.533 0.180 6.733 1.00 0.12 C ATOM 265 C GLY A 263 -5.324 -0.731 6.763 1.00 0.11 C ATOM 266 O GLY A 263 -5.449 -1.924 7.024 1.00 0.14 O ATOM 0 H GLY A 263 -6.157 1.943 5.677 1.00 0.11 H new ATOM 0 HA2 GLY A 263 -6.530 0.810 7.623 1.00 0.12 H new ATOM 0 HA3 GLY A 263 -7.439 -0.424 6.773 1.00 0.12 H new ATOM 270 N ILE A 264 -4.152 -0.176 6.496 1.00 0.09 N ATOM 271 CA ILE A 264 -2.923 -0.961 6.499 1.00 0.09 C ATOM 272 C ILE A 264 -1.746 -0.177 7.064 1.00 0.08 C ATOM 273 O ILE A 264 -1.691 1.055 6.980 1.00 0.11 O ATOM 274 CB ILE A 264 -2.537 -1.459 5.089 1.00 0.12 C ATOM 275 CG1 ILE A 264 -2.851 -0.392 4.036 1.00 0.14 C ATOM 276 CG2 ILE A 264 -3.245 -2.769 4.773 1.00 0.17 C ATOM 277 CD1 ILE A 264 -2.279 -0.699 2.670 1.00 0.18 C ATOM 0 H ILE A 264 -4.024 0.811 6.275 1.00 0.09 H new ATOM 0 HA ILE A 264 -3.134 -1.819 7.138 1.00 0.09 H new ATOM 0 HB ILE A 264 -1.463 -1.644 5.068 1.00 0.12 H new ATOM 0 HG12 ILE A 264 -3.932 -0.285 3.952 1.00 0.14 H new ATOM 0 HG13 ILE A 264 -2.461 0.567 4.376 1.00 0.14 H new ATOM 0 HG21 ILE A 264 -2.961 -3.105 3.776 1.00 0.17 H new ATOM 0 HG22 ILE A 264 -2.958 -3.524 5.505 1.00 0.17 H new ATOM 0 HG23 ILE A 264 -4.324 -2.618 4.811 1.00 0.17 H new ATOM 0 HD11 ILE A 264 -2.542 0.100 1.977 1.00 0.18 H new ATOM 0 HD12 ILE A 264 -1.194 -0.777 2.739 1.00 0.18 H new ATOM 0 HD13 ILE A 264 -2.688 -1.642 2.308 1.00 0.18 H new ATOM 289 N SER A 265 -0.822 -0.909 7.658 1.00 0.09 N ATOM 290 CA SER A 265 0.385 -0.329 8.219 1.00 0.12 C ATOM 291 C SER A 265 1.532 -0.540 7.240 1.00 0.11 C ATOM 292 O SER A 265 1.853 -1.678 6.894 1.00 0.19 O ATOM 293 CB SER A 265 0.710 -0.992 9.556 1.00 0.20 C ATOM 294 OG SER A 265 -0.465 -1.528 10.144 1.00 1.00 O ATOM 0 H SER A 265 -0.886 -1.921 7.765 1.00 0.09 H new ATOM 0 HA SER A 265 0.237 0.738 8.388 1.00 0.12 H new ATOM 0 HB2 SER A 265 1.443 -1.785 9.407 1.00 0.20 H new ATOM 0 HB3 SER A 265 1.161 -0.263 10.230 1.00 0.20 H new ATOM 0 HG SER A 265 -0.746 -0.958 10.890 1.00 1.00 H new ATOM 300 N ILE A 266 2.140 0.542 6.784 1.00 0.10 N ATOM 301 CA ILE A 266 3.224 0.444 5.822 1.00 0.11 C ATOM 302 C ILE A 266 4.569 0.318 6.525 1.00 0.13 C ATOM 303 O ILE A 266 4.995 1.223 7.242 1.00 0.28 O ATOM 304 CB ILE A 266 3.263 1.661 4.868 1.00 0.13 C ATOM 305 CG1 ILE A 266 1.844 2.145 4.520 1.00 0.14 C ATOM 306 CG2 ILE A 266 4.027 1.310 3.599 1.00 0.19 C ATOM 307 CD1 ILE A 266 0.975 1.081 3.891 1.00 0.16 C ATOM 0 H ILE A 266 1.903 1.494 7.063 1.00 0.10 H new ATOM 0 HA ILE A 266 3.035 -0.453 5.232 1.00 0.11 H new ATOM 0 HB ILE A 266 3.778 2.474 5.380 1.00 0.13 H new ATOM 0 HG12 ILE A 266 1.360 2.506 5.428 1.00 0.14 H new ATOM 0 HG13 ILE A 266 1.916 2.992 3.838 1.00 0.14 H new ATOM 0 HG21 ILE A 266 4.047 2.175 2.936 1.00 0.19 H new ATOM 0 HG22 ILE A 266 5.047 1.025 3.856 1.00 0.19 H new ATOM 0 HG23 ILE A 266 3.534 0.478 3.096 1.00 0.19 H new ATOM 0 HD11 ILE A 266 -0.009 1.496 3.674 1.00 0.16 H new ATOM 0 HD12 ILE A 266 1.435 0.736 2.965 1.00 0.16 H new ATOM 0 HD13 ILE A 266 0.871 0.242 4.579 1.00 0.16 H new ATOM 319 N VAL A 267 5.226 -0.815 6.327 1.00 0.12 N ATOM 320 CA VAL A 267 6.526 -1.061 6.924 1.00 0.14 C ATOM 321 C VAL A 267 7.618 -0.853 5.888 1.00 0.14 C ATOM 322 O VAL A 267 7.652 -1.530 4.861 1.00 0.23 O ATOM 323 CB VAL A 267 6.630 -2.488 7.507 1.00 0.24 C ATOM 324 CG1 VAL A 267 8.045 -2.782 7.984 1.00 0.29 C ATOM 325 CG2 VAL A 267 5.637 -2.667 8.642 1.00 0.31 C ATOM 0 H VAL A 267 4.876 -1.582 5.753 1.00 0.12 H new ATOM 0 HA VAL A 267 6.652 -0.354 7.744 1.00 0.14 H new ATOM 0 HB VAL A 267 6.388 -3.197 6.715 1.00 0.24 H new ATOM 0 HG11 VAL A 267 8.090 -3.793 8.390 1.00 0.29 H new ATOM 0 HG12 VAL A 267 8.737 -2.696 7.146 1.00 0.29 H new ATOM 0 HG13 VAL A 267 8.324 -2.068 8.759 1.00 0.29 H new ATOM 0 HG21 VAL A 267 5.721 -3.677 9.043 1.00 0.31 H new ATOM 0 HG22 VAL A 267 5.851 -1.945 9.430 1.00 0.31 H new ATOM 0 HG23 VAL A 267 4.625 -2.508 8.269 1.00 0.31 H new ATOM 335 N GLY A 268 8.498 0.097 6.150 1.00 0.17 N ATOM 336 CA GLY A 268 9.574 0.374 5.228 1.00 0.23 C ATOM 337 C GLY A 268 10.864 -0.289 5.648 1.00 0.23 C ATOM 338 O GLY A 268 11.298 -0.143 6.793 1.00 0.37 O ATOM 0 H GLY A 268 8.486 0.682 6.986 1.00 0.17 H new ATOM 0 HA2 GLY A 268 9.296 0.028 4.232 1.00 0.23 H new ATOM 0 HA3 GLY A 268 9.725 1.451 5.161 1.00 0.23 H new ATOM 342 N GLN A 269 11.470 -1.030 4.728 1.00 0.27 N ATOM 343 CA GLN A 269 12.730 -1.708 4.997 1.00 0.34 C ATOM 344 C GLN A 269 13.872 -0.703 4.893 1.00 0.38 C ATOM 345 O GLN A 269 14.665 -0.723 3.947 1.00 0.50 O ATOM 346 CB GLN A 269 12.932 -2.859 4.011 1.00 0.49 C ATOM 347 CG GLN A 269 13.907 -3.920 4.496 1.00 0.67 C ATOM 348 CD GLN A 269 13.316 -4.807 5.573 1.00 1.19 C ATOM 349 OE1 GLN A 269 13.420 -4.514 6.765 1.00 1.81 O ATOM 350 NE2 GLN A 269 12.702 -5.903 5.160 1.00 1.87 N ATOM 0 H GLN A 269 11.107 -1.176 3.786 1.00 0.27 H new ATOM 0 HA GLN A 269 12.712 -2.125 6.004 1.00 0.34 H new ATOM 0 HB2 GLN A 269 11.968 -3.328 3.813 1.00 0.49 H new ATOM 0 HB3 GLN A 269 13.291 -2.455 3.064 1.00 0.49 H new ATOM 0 HG2 GLN A 269 14.216 -4.537 3.652 1.00 0.67 H new ATOM 0 HG3 GLN A 269 14.804 -3.435 4.882 1.00 0.67 H new ATOM 0 HE21 GLN A 269 12.639 -6.107 4.163 1.00 1.87 H new ATOM 0 HE22 GLN A 269 12.292 -6.544 5.839 1.00 1.87 H new ATOM 359 N SER A 270 13.919 0.210 5.849 1.00 0.55 N ATOM 360 CA SER A 270 14.933 1.243 5.873 1.00 0.70 C ATOM 361 C SER A 270 16.197 0.766 6.575 1.00 0.83 C ATOM 362 O SER A 270 16.326 0.850 7.798 1.00 1.17 O ATOM 363 CB SER A 270 14.373 2.500 6.538 1.00 0.96 C ATOM 364 OG SER A 270 13.133 2.863 5.948 1.00 1.10 O ATOM 0 H SER A 270 13.258 0.254 6.625 1.00 0.55 H new ATOM 0 HA SER A 270 15.209 1.482 4.846 1.00 0.70 H new ATOM 0 HB2 SER A 270 14.237 2.325 7.605 1.00 0.96 H new ATOM 0 HB3 SER A 270 15.084 3.320 6.438 1.00 0.96 H new ATOM 0 HG SER A 270 12.786 3.669 6.385 1.00 1.10 H new ATOM 370 N ASN A 271 17.112 0.230 5.787 1.00 0.91 N ATOM 371 CA ASN A 271 18.381 -0.250 6.300 1.00 1.15 C ATOM 372 C ASN A 271 19.459 0.803 6.052 1.00 1.04 C ATOM 373 O ASN A 271 19.165 2.001 6.046 1.00 1.29 O ATOM 374 CB ASN A 271 18.756 -1.589 5.644 1.00 1.43 C ATOM 375 CG ASN A 271 19.039 -1.476 4.155 1.00 2.09 C ATOM 376 OD1 ASN A 271 18.455 -0.649 3.451 1.00 2.75 O ATOM 377 ND2 ASN A 271 19.950 -2.299 3.669 1.00 2.37 N ATOM 0 H ASN A 271 16.997 0.116 4.780 1.00 0.91 H new ATOM 0 HA ASN A 271 18.296 -0.420 7.373 1.00 1.15 H new ATOM 0 HB2 ASN A 271 19.636 -1.995 6.143 1.00 1.43 H new ATOM 0 HB3 ASN A 271 17.945 -2.300 5.799 1.00 1.43 H new ATOM 0 HD21 ASN A 271 20.192 -2.264 2.679 1.00 2.37 H new ATOM 0 HD22 ASN A 271 20.411 -2.970 4.284 1.00 2.37 H new ATOM 384 N ASP A 272 20.694 0.361 5.842 1.00 1.04 N ATOM 385 CA ASP A 272 21.805 1.273 5.590 1.00 1.02 C ATOM 386 C ASP A 272 21.530 2.161 4.377 1.00 1.00 C ATOM 387 O ASP A 272 21.937 3.321 4.343 1.00 1.14 O ATOM 388 CB ASP A 272 23.094 0.480 5.369 1.00 1.26 C ATOM 389 CG ASP A 272 24.291 1.372 5.118 1.00 1.61 C ATOM 390 OD1 ASP A 272 24.844 1.920 6.092 1.00 1.91 O ATOM 391 OD2 ASP A 272 24.691 1.523 3.943 1.00 2.08 O ATOM 0 H ASP A 272 20.952 -0.626 5.841 1.00 1.04 H new ATOM 0 HA ASP A 272 21.917 1.915 6.464 1.00 1.02 H new ATOM 0 HB2 ASP A 272 23.287 -0.143 6.242 1.00 1.26 H new ATOM 0 HB3 ASP A 272 22.962 -0.192 4.521 1.00 1.26 H new ATOM 396 N ARG A 273 20.823 1.618 3.394 1.00 1.07 N ATOM 397 CA ARG A 273 20.509 2.368 2.188 1.00 1.28 C ATOM 398 C ARG A 273 19.066 2.861 2.208 1.00 1.10 C ATOM 399 O ARG A 273 18.807 4.051 2.023 1.00 1.41 O ATOM 400 CB ARG A 273 20.751 1.507 0.951 1.00 1.59 C ATOM 401 CG ARG A 273 20.968 2.316 -0.314 1.00 1.84 C ATOM 402 CD ARG A 273 21.527 1.451 -1.430 1.00 1.60 C ATOM 403 NE ARG A 273 22.753 0.757 -1.028 1.00 1.78 N ATOM 404 CZ ARG A 273 23.146 -0.409 -1.545 1.00 2.01 C ATOM 405 NH1 ARG A 273 22.434 -0.987 -2.505 1.00 1.92 N ATOM 406 NH2 ARG A 273 24.256 -0.988 -1.106 1.00 2.63 N ATOM 0 H ARG A 273 20.458 0.666 3.409 1.00 1.07 H new ATOM 0 HA ARG A 273 21.166 3.237 2.151 1.00 1.28 H new ATOM 0 HB2 ARG A 273 21.622 0.874 1.123 1.00 1.59 H new ATOM 0 HB3 ARG A 273 19.898 0.843 0.807 1.00 1.59 H new ATOM 0 HG2 ARG A 273 20.024 2.759 -0.632 1.00 1.84 H new ATOM 0 HG3 ARG A 273 21.653 3.138 -0.110 1.00 1.84 H new ATOM 0 HD2 ARG A 273 20.778 0.718 -1.730 1.00 1.60 H new ATOM 0 HD3 ARG A 273 21.732 2.072 -2.302 1.00 1.60 H new ATOM 0 HE ARG A 273 23.339 1.189 -0.313 1.00 1.78 H new ATOM 0 HH11 ARG A 273 21.584 -0.540 -2.849 1.00 1.92 H new ATOM 0 HH12 ARG A 273 22.737 -1.878 -2.898 1.00 1.92 H new ATOM 0 HH21 ARG A 273 24.809 -0.542 -0.374 1.00 2.63 H new ATOM 0 HH22 ARG A 273 24.557 -1.879 -1.501 1.00 2.63 H new ATOM 420 N GLY A 274 18.132 1.947 2.441 1.00 0.89 N ATOM 421 CA GLY A 274 16.730 2.318 2.476 1.00 0.89 C ATOM 422 C GLY A 274 16.042 2.093 1.145 1.00 0.72 C ATOM 423 O GLY A 274 15.057 2.758 0.824 1.00 0.97 O ATOM 0 H GLY A 274 18.319 0.958 2.606 1.00 0.89 H new ATOM 0 HA2 GLY A 274 16.222 1.739 3.247 1.00 0.89 H new ATOM 0 HA3 GLY A 274 16.641 3.368 2.755 1.00 0.89 H new ATOM 427 N ASP A 275 16.559 1.144 0.373 1.00 0.65 N ATOM 428 CA ASP A 275 16.000 0.817 -0.936 1.00 0.66 C ATOM 429 C ASP A 275 15.350 -0.565 -0.910 1.00 0.69 C ATOM 430 O ASP A 275 15.040 -1.141 -1.955 1.00 1.44 O ATOM 431 CB ASP A 275 17.102 0.851 -2.001 1.00 0.91 C ATOM 432 CG ASP A 275 18.093 -0.289 -1.849 1.00 1.10 C ATOM 433 OD1 ASP A 275 18.587 -0.507 -0.722 1.00 1.75 O ATOM 434 OD2 ASP A 275 18.389 -0.967 -2.857 1.00 1.53 O ATOM 0 H ASP A 275 17.370 0.583 0.633 1.00 0.65 H new ATOM 0 HA ASP A 275 15.239 1.558 -1.182 1.00 0.66 H new ATOM 0 HB2 ASP A 275 16.648 0.804 -2.991 1.00 0.91 H new ATOM 0 HB3 ASP A 275 17.633 1.801 -1.939 1.00 0.91 H new ATOM 439 N GLY A 276 15.142 -1.084 0.296 1.00 0.48 N ATOM 440 CA GLY A 276 14.538 -2.397 0.455 1.00 0.43 C ATOM 441 C GLY A 276 13.085 -2.433 0.021 1.00 0.37 C ATOM 442 O GLY A 276 12.580 -3.477 -0.390 1.00 0.52 O ATOM 0 H GLY A 276 15.382 -0.617 1.171 1.00 0.48 H new ATOM 0 HA2 GLY A 276 15.104 -3.125 -0.126 1.00 0.43 H new ATOM 0 HA3 GLY A 276 14.608 -2.700 1.500 1.00 0.43 H new ATOM 446 N GLY A 277 12.407 -1.300 0.123 1.00 0.30 N ATOM 447 CA GLY A 277 11.019 -1.236 -0.280 1.00 0.29 C ATOM 448 C GLY A 277 10.073 -1.219 0.901 1.00 0.24 C ATOM 449 O GLY A 277 10.504 -1.292 2.056 1.00 0.27 O ATOM 0 H GLY A 277 12.793 -0.425 0.477 1.00 0.30 H new ATOM 0 HA2 GLY A 277 10.860 -0.341 -0.882 1.00 0.29 H new ATOM 0 HA3 GLY A 277 10.788 -2.092 -0.914 1.00 0.29 H new ATOM 453 N ILE A 278 8.783 -1.123 0.613 1.00 0.21 N ATOM 454 CA ILE A 278 7.764 -1.090 1.652 1.00 0.19 C ATOM 455 C ILE A 278 6.889 -2.339 1.596 1.00 0.18 C ATOM 456 O ILE A 278 6.518 -2.805 0.515 1.00 0.23 O ATOM 457 CB ILE A 278 6.878 0.170 1.537 1.00 0.20 C ATOM 458 CG1 ILE A 278 6.423 0.387 0.090 1.00 0.23 C ATOM 459 CG2 ILE A 278 7.627 1.395 2.047 1.00 0.23 C ATOM 460 CD1 ILE A 278 5.342 1.439 -0.060 1.00 0.27 C ATOM 0 H ILE A 278 8.416 -1.066 -0.337 1.00 0.21 H new ATOM 0 HA ILE A 278 8.283 -1.061 2.610 1.00 0.19 H new ATOM 0 HB ILE A 278 5.992 0.020 2.154 1.00 0.20 H new ATOM 0 HG12 ILE A 278 7.284 0.676 -0.512 1.00 0.23 H new ATOM 0 HG13 ILE A 278 6.056 -0.558 -0.311 1.00 0.23 H new ATOM 0 HG21 ILE A 278 6.989 2.274 1.959 1.00 0.23 H new ATOM 0 HG22 ILE A 278 7.898 1.247 3.092 1.00 0.23 H new ATOM 0 HG23 ILE A 278 8.530 1.542 1.455 1.00 0.23 H new ATOM 0 HD11 ILE A 278 5.072 1.536 -1.112 1.00 0.27 H new ATOM 0 HD12 ILE A 278 4.464 1.143 0.514 1.00 0.27 H new ATOM 0 HD13 ILE A 278 5.711 2.396 0.310 1.00 0.27 H new ATOM 472 N TYR A 279 6.577 -2.882 2.763 1.00 0.15 N ATOM 473 CA TYR A 279 5.761 -4.081 2.860 1.00 0.16 C ATOM 474 C TYR A 279 4.566 -3.845 3.773 1.00 0.15 C ATOM 475 O TYR A 279 4.575 -2.930 4.601 1.00 0.18 O ATOM 476 CB TYR A 279 6.596 -5.249 3.399 1.00 0.19 C ATOM 477 CG TYR A 279 7.888 -5.491 2.641 1.00 0.24 C ATOM 478 CD1 TYR A 279 9.067 -4.846 3.003 1.00 0.42 C ATOM 479 CD2 TYR A 279 7.926 -6.361 1.560 1.00 0.44 C ATOM 480 CE1 TYR A 279 10.243 -5.065 2.307 1.00 0.55 C ATOM 481 CE2 TYR A 279 9.098 -6.585 0.863 1.00 0.57 C ATOM 482 CZ TYR A 279 10.251 -5.933 1.240 1.00 0.55 C ATOM 483 OH TYR A 279 11.420 -6.150 0.548 1.00 0.72 O ATOM 0 H TYR A 279 6.880 -2.507 3.662 1.00 0.15 H new ATOM 0 HA TYR A 279 5.399 -4.327 1.862 1.00 0.16 H new ATOM 0 HB2 TYR A 279 6.832 -5.060 4.446 1.00 0.19 H new ATOM 0 HB3 TYR A 279 5.994 -6.157 3.367 1.00 0.19 H new ATOM 0 HD1 TYR A 279 9.064 -4.164 3.840 1.00 0.42 H new ATOM 0 HD2 TYR A 279 7.024 -6.872 1.258 1.00 0.44 H new ATOM 0 HE1 TYR A 279 11.150 -4.557 2.600 1.00 0.55 H new ATOM 0 HE2 TYR A 279 9.110 -7.268 0.027 1.00 0.57 H new ATOM 0 HH TYR A 279 11.787 -5.292 0.249 1.00 0.72 H new ATOM 493 N ILE A 280 3.537 -4.658 3.605 1.00 0.16 N ATOM 494 CA ILE A 280 2.341 -4.561 4.426 1.00 0.16 C ATOM 495 C ILE A 280 2.615 -5.151 5.805 1.00 0.17 C ATOM 496 O ILE A 280 2.780 -6.360 5.945 1.00 0.21 O ATOM 497 CB ILE A 280 1.148 -5.306 3.782 1.00 0.19 C ATOM 498 CG1 ILE A 280 0.814 -4.707 2.411 1.00 0.21 C ATOM 499 CG2 ILE A 280 -0.073 -5.264 4.696 1.00 0.21 C ATOM 500 CD1 ILE A 280 0.257 -3.302 2.482 1.00 0.24 C ATOM 0 H ILE A 280 3.506 -5.397 2.903 1.00 0.16 H new ATOM 0 HA ILE A 280 2.080 -3.506 4.512 1.00 0.16 H new ATOM 0 HB ILE A 280 1.434 -6.348 3.642 1.00 0.19 H new ATOM 0 HG12 ILE A 280 1.715 -4.701 1.798 1.00 0.21 H new ATOM 0 HG13 ILE A 280 0.091 -5.350 1.909 1.00 0.21 H new ATOM 0 HG21 ILE A 280 -0.900 -5.794 4.223 1.00 0.21 H new ATOM 0 HG22 ILE A 280 0.167 -5.741 5.646 1.00 0.21 H new ATOM 0 HG23 ILE A 280 -0.360 -4.227 4.872 1.00 0.21 H new ATOM 0 HD11 ILE A 280 0.044 -2.944 1.475 1.00 0.24 H new ATOM 0 HD12 ILE A 280 -0.662 -3.304 3.068 1.00 0.24 H new ATOM 0 HD13 ILE A 280 0.987 -2.645 2.954 1.00 0.24 H new ATOM 512 N GLY A 281 2.681 -4.294 6.812 1.00 0.20 N ATOM 513 CA GLY A 281 2.938 -4.755 8.162 1.00 0.23 C ATOM 514 C GLY A 281 1.742 -5.454 8.766 1.00 0.24 C ATOM 515 O GLY A 281 1.814 -6.625 9.133 1.00 0.42 O ATOM 0 H GLY A 281 2.561 -3.285 6.719 1.00 0.20 H new ATOM 0 HA2 GLY A 281 3.789 -5.436 8.155 1.00 0.23 H new ATOM 0 HA3 GLY A 281 3.214 -3.906 8.787 1.00 0.23 H new ATOM 519 N SER A 282 0.637 -4.739 8.874 1.00 0.25 N ATOM 520 CA SER A 282 -0.579 -5.299 9.435 1.00 0.29 C ATOM 521 C SER A 282 -1.800 -4.725 8.731 1.00 0.26 C ATOM 522 O SER A 282 -1.725 -3.658 8.117 1.00 0.30 O ATOM 523 CB SER A 282 -0.645 -5.020 10.936 1.00 0.35 C ATOM 524 OG SER A 282 0.509 -5.515 11.600 1.00 0.75 O ATOM 0 H SER A 282 0.557 -3.766 8.579 1.00 0.25 H new ATOM 0 HA SER A 282 -0.570 -6.378 9.283 1.00 0.29 H new ATOM 0 HB2 SER A 282 -0.734 -3.947 11.106 1.00 0.35 H new ATOM 0 HB3 SER A 282 -1.537 -5.484 11.356 1.00 0.35 H new ATOM 0 HG SER A 282 0.443 -5.322 12.559 1.00 0.75 H new ATOM 530 N ILE A 283 -2.908 -5.442 8.806 1.00 0.24 N ATOM 531 CA ILE A 283 -4.147 -5.011 8.181 1.00 0.23 C ATOM 532 C ILE A 283 -5.189 -4.694 9.246 1.00 0.23 C ATOM 533 O ILE A 283 -5.415 -5.486 10.159 1.00 0.30 O ATOM 534 CB ILE A 283 -4.696 -6.092 7.230 1.00 0.27 C ATOM 535 CG1 ILE A 283 -3.632 -6.489 6.203 1.00 0.32 C ATOM 536 CG2 ILE A 283 -5.954 -5.598 6.531 1.00 0.29 C ATOM 537 CD1 ILE A 283 -3.942 -7.778 5.476 1.00 0.53 C ATOM 0 H ILE A 283 -2.975 -6.333 9.298 1.00 0.24 H new ATOM 0 HA ILE A 283 -3.934 -4.114 7.600 1.00 0.23 H new ATOM 0 HB ILE A 283 -4.954 -6.972 7.819 1.00 0.27 H new ATOM 0 HG12 ILE A 283 -3.527 -5.686 5.473 1.00 0.32 H new ATOM 0 HG13 ILE A 283 -2.671 -6.589 6.708 1.00 0.32 H new ATOM 0 HG21 ILE A 283 -6.328 -6.374 5.863 1.00 0.29 H new ATOM 0 HG22 ILE A 283 -6.715 -5.362 7.275 1.00 0.29 H new ATOM 0 HG23 ILE A 283 -5.722 -4.703 5.953 1.00 0.29 H new ATOM 0 HD11 ILE A 283 -3.145 -7.995 4.765 1.00 0.53 H new ATOM 0 HD12 ILE A 283 -4.018 -8.593 6.196 1.00 0.53 H new ATOM 0 HD13 ILE A 283 -4.887 -7.676 4.942 1.00 0.53 H new ATOM 549 N MET A 284 -5.806 -3.530 9.132 1.00 0.20 N ATOM 550 CA MET A 284 -6.818 -3.104 10.084 1.00 0.21 C ATOM 551 C MET A 284 -8.191 -3.606 9.657 1.00 0.22 C ATOM 552 O MET A 284 -8.673 -3.278 8.569 1.00 0.23 O ATOM 553 CB MET A 284 -6.829 -1.578 10.206 1.00 0.24 C ATOM 554 CG MET A 284 -5.591 -1.001 10.873 1.00 0.35 C ATOM 555 SD MET A 284 -5.387 -1.559 12.577 1.00 0.54 S ATOM 556 CE MET A 284 -4.078 -2.767 12.387 1.00 0.74 C ATOM 0 H MET A 284 -5.622 -2.860 8.385 1.00 0.20 H new ATOM 0 HA MET A 284 -6.576 -3.530 11.058 1.00 0.21 H new ATOM 0 HB2 MET A 284 -6.928 -1.145 9.211 1.00 0.24 H new ATOM 0 HB3 MET A 284 -7.709 -1.276 10.774 1.00 0.24 H new ATOM 0 HG2 MET A 284 -4.710 -1.281 10.296 1.00 0.35 H new ATOM 0 HG3 MET A 284 -5.650 0.087 10.857 1.00 0.35 H new ATOM 0 HE1 MET A 284 -3.658 -3.005 13.364 1.00 0.74 H new ATOM 0 HE2 MET A 284 -4.482 -3.673 11.936 1.00 0.74 H new ATOM 0 HE3 MET A 284 -3.297 -2.359 11.745 1.00 0.74 H new ATOM 566 N LYS A 285 -8.805 -4.415 10.511 1.00 0.28 N ATOM 567 CA LYS A 285 -10.124 -4.971 10.237 1.00 0.33 C ATOM 568 C LYS A 285 -11.147 -3.847 10.102 1.00 0.33 C ATOM 569 O LYS A 285 -11.390 -3.102 11.050 1.00 0.46 O ATOM 570 CB LYS A 285 -10.532 -5.936 11.356 1.00 0.43 C ATOM 571 CG LYS A 285 -11.685 -6.858 10.989 1.00 0.49 C ATOM 572 CD LYS A 285 -11.340 -7.751 9.804 1.00 0.63 C ATOM 573 CE LYS A 285 -12.370 -8.856 9.609 1.00 0.83 C ATOM 574 NZ LYS A 285 -13.744 -8.322 9.406 1.00 1.01 N ATOM 0 H LYS A 285 -8.407 -4.702 11.405 1.00 0.28 H new ATOM 0 HA LYS A 285 -10.088 -5.524 9.298 1.00 0.33 H new ATOM 0 HB2 LYS A 285 -9.669 -6.542 11.631 1.00 0.43 H new ATOM 0 HB3 LYS A 285 -10.809 -5.358 12.237 1.00 0.43 H new ATOM 0 HG2 LYS A 285 -11.943 -7.477 11.848 1.00 0.49 H new ATOM 0 HG3 LYS A 285 -12.566 -6.262 10.750 1.00 0.49 H new ATOM 0 HD2 LYS A 285 -11.280 -7.147 8.899 1.00 0.63 H new ATOM 0 HD3 LYS A 285 -10.356 -8.194 9.957 1.00 0.63 H new ATOM 0 HE2 LYS A 285 -12.089 -9.463 8.749 1.00 0.83 H new ATOM 0 HE3 LYS A 285 -12.363 -9.513 10.479 1.00 0.83 H new ATOM 0 HZ1 LYS A 285 -14.383 -9.099 9.144 1.00 1.01 H new ATOM 0 HZ2 LYS A 285 -14.078 -7.880 10.286 1.00 1.01 H new ATOM 0 HZ3 LYS A 285 -13.732 -7.613 8.646 1.00 1.01 H new ATOM 588 N GLY A 286 -11.732 -3.729 8.920 1.00 0.33 N ATOM 589 CA GLY A 286 -12.705 -2.686 8.669 1.00 0.35 C ATOM 590 C GLY A 286 -12.275 -1.790 7.527 1.00 0.30 C ATOM 591 O GLY A 286 -13.084 -1.060 6.952 1.00 0.36 O ATOM 0 H GLY A 286 -11.549 -4.341 8.125 1.00 0.33 H new ATOM 0 HA2 GLY A 286 -13.670 -3.136 8.437 1.00 0.35 H new ATOM 0 HA3 GLY A 286 -12.840 -2.089 9.571 1.00 0.35 H new ATOM 595 N GLY A 287 -10.991 -1.847 7.197 1.00 0.26 N ATOM 596 CA GLY A 287 -10.467 -1.044 6.115 1.00 0.24 C ATOM 597 C GLY A 287 -10.784 -1.644 4.761 1.00 0.22 C ATOM 598 O GLY A 287 -11.304 -2.757 4.676 1.00 0.24 O ATOM 0 H GLY A 287 -10.303 -2.438 7.663 1.00 0.26 H new ATOM 0 HA2 GLY A 287 -10.885 -0.039 6.173 1.00 0.24 H new ATOM 0 HA3 GLY A 287 -9.387 -0.947 6.225 1.00 0.24 H new ATOM 602 N ALA A 288 -10.452 -0.918 3.703 1.00 0.21 N ATOM 603 CA ALA A 288 -10.709 -1.376 2.343 1.00 0.22 C ATOM 604 C ALA A 288 -9.932 -2.652 2.034 1.00 0.22 C ATOM 605 O ALA A 288 -10.435 -3.547 1.352 1.00 0.25 O ATOM 606 CB ALA A 288 -10.356 -0.281 1.347 1.00 0.24 C ATOM 0 H ALA A 288 -10.002 -0.005 3.760 1.00 0.21 H new ATOM 0 HA ALA A 288 -11.771 -1.604 2.255 1.00 0.22 H new ATOM 0 HB1 ALA A 288 -10.552 -0.633 0.334 1.00 0.24 H new ATOM 0 HB2 ALA A 288 -10.962 0.602 1.547 1.00 0.24 H new ATOM 0 HB3 ALA A 288 -9.301 -0.026 1.445 1.00 0.24 H new ATOM 612 N VAL A 289 -8.714 -2.737 2.560 1.00 0.20 N ATOM 613 CA VAL A 289 -7.858 -3.901 2.343 1.00 0.21 C ATOM 614 C VAL A 289 -8.409 -5.133 3.061 1.00 0.23 C ATOM 615 O VAL A 289 -8.354 -6.248 2.538 1.00 0.26 O ATOM 616 CB VAL A 289 -6.420 -3.632 2.832 1.00 0.20 C ATOM 617 CG1 VAL A 289 -5.545 -4.863 2.658 1.00 0.23 C ATOM 618 CG2 VAL A 289 -5.818 -2.444 2.097 1.00 0.20 C ATOM 0 H VAL A 289 -8.295 -2.011 3.142 1.00 0.20 H new ATOM 0 HA VAL A 289 -7.842 -4.091 1.270 1.00 0.21 H new ATOM 0 HB VAL A 289 -6.465 -3.396 3.895 1.00 0.20 H new ATOM 0 HG11 VAL A 289 -4.537 -4.646 3.011 1.00 0.23 H new ATOM 0 HG12 VAL A 289 -5.961 -5.689 3.235 1.00 0.23 H new ATOM 0 HG13 VAL A 289 -5.509 -5.138 1.604 1.00 0.23 H new ATOM 0 HG21 VAL A 289 -4.804 -2.270 2.456 1.00 0.20 H new ATOM 0 HG22 VAL A 289 -5.794 -2.652 1.027 1.00 0.20 H new ATOM 0 HG23 VAL A 289 -6.425 -1.557 2.280 1.00 0.20 H new ATOM 628 N ALA A 290 -8.965 -4.921 4.249 1.00 0.23 N ATOM 629 CA ALA A 290 -9.515 -6.010 5.050 1.00 0.27 C ATOM 630 C ALA A 290 -10.765 -6.607 4.413 1.00 0.29 C ATOM 631 O ALA A 290 -11.177 -7.715 4.759 1.00 0.37 O ATOM 632 CB ALA A 290 -9.828 -5.522 6.457 1.00 0.29 C ATOM 0 H ALA A 290 -9.047 -4.000 4.681 1.00 0.23 H new ATOM 0 HA ALA A 290 -8.761 -6.795 5.099 1.00 0.27 H new ATOM 0 HB1 ALA A 290 -10.238 -6.344 7.044 1.00 0.29 H new ATOM 0 HB2 ALA A 290 -8.914 -5.159 6.928 1.00 0.29 H new ATOM 0 HB3 ALA A 290 -10.557 -4.713 6.408 1.00 0.29 H new ATOM 638 N ALA A 291 -11.371 -5.870 3.490 1.00 0.29 N ATOM 639 CA ALA A 291 -12.577 -6.333 2.815 1.00 0.32 C ATOM 640 C ALA A 291 -12.236 -7.116 1.554 1.00 0.32 C ATOM 641 O ALA A 291 -13.123 -7.634 0.873 1.00 0.41 O ATOM 642 CB ALA A 291 -13.473 -5.156 2.476 1.00 0.38 C ATOM 0 H ALA A 291 -11.047 -4.950 3.192 1.00 0.29 H new ATOM 0 HA ALA A 291 -13.108 -7.001 3.493 1.00 0.32 H new ATOM 0 HB1 ALA A 291 -14.370 -5.515 1.972 1.00 0.38 H new ATOM 0 HB2 ALA A 291 -13.754 -4.637 3.392 1.00 0.38 H new ATOM 0 HB3 ALA A 291 -12.939 -4.469 1.820 1.00 0.38 H new ATOM 648 N ASP A 292 -10.951 -7.186 1.236 1.00 0.31 N ATOM 649 CA ASP A 292 -10.506 -7.915 0.058 1.00 0.32 C ATOM 650 C ASP A 292 -10.110 -9.331 0.449 1.00 0.30 C ATOM 651 O ASP A 292 -10.889 -10.270 0.285 1.00 0.38 O ATOM 652 CB ASP A 292 -9.331 -7.205 -0.615 1.00 0.37 C ATOM 653 CG ASP A 292 -9.021 -7.782 -1.983 1.00 0.43 C ATOM 654 OD1 ASP A 292 -8.251 -8.762 -2.062 1.00 0.45 O ATOM 655 OD2 ASP A 292 -9.549 -7.254 -2.985 1.00 0.55 O ATOM 0 H ASP A 292 -10.202 -6.749 1.774 1.00 0.31 H new ATOM 0 HA ASP A 292 -11.329 -7.954 -0.655 1.00 0.32 H new ATOM 0 HB2 ASP A 292 -9.558 -6.143 -0.713 1.00 0.37 H new ATOM 0 HB3 ASP A 292 -8.448 -7.285 0.020 1.00 0.37 H new ATOM 660 N GLY A 293 -8.904 -9.482 0.985 1.00 0.29 N ATOM 661 CA GLY A 293 -8.451 -10.792 1.407 1.00 0.33 C ATOM 662 C GLY A 293 -7.217 -11.283 0.671 1.00 0.33 C ATOM 663 O GLY A 293 -6.504 -12.150 1.171 1.00 0.39 O ATOM 0 H GLY A 293 -8.236 -8.725 1.134 1.00 0.29 H new ATOM 0 HA2 GLY A 293 -8.238 -10.765 2.476 1.00 0.33 H new ATOM 0 HA3 GLY A 293 -9.259 -11.509 1.261 1.00 0.33 H new ATOM 667 N ARG A 294 -6.949 -10.739 -0.511 1.00 0.31 N ATOM 668 CA ARG A 294 -5.789 -11.168 -1.291 1.00 0.32 C ATOM 669 C ARG A 294 -4.491 -10.582 -0.743 1.00 0.30 C ATOM 670 O ARG A 294 -3.402 -11.091 -1.022 1.00 0.37 O ATOM 671 CB ARG A 294 -5.968 -10.800 -2.763 1.00 0.35 C ATOM 672 CG ARG A 294 -6.991 -11.672 -3.470 1.00 0.41 C ATOM 673 CD ARG A 294 -7.402 -11.082 -4.806 1.00 0.44 C ATOM 674 NE ARG A 294 -8.199 -9.867 -4.647 1.00 0.43 N ATOM 675 CZ ARG A 294 -8.904 -9.316 -5.629 1.00 0.54 C ATOM 676 NH1 ARG A 294 -8.907 -9.867 -6.833 1.00 0.68 N ATOM 677 NH2 ARG A 294 -9.601 -8.213 -5.407 1.00 0.58 N ATOM 0 H ARG A 294 -7.511 -10.008 -0.948 1.00 0.31 H new ATOM 0 HA ARG A 294 -5.718 -12.252 -1.207 1.00 0.32 H new ATOM 0 HB2 ARG A 294 -6.274 -9.757 -2.837 1.00 0.35 H new ATOM 0 HB3 ARG A 294 -5.009 -10.887 -3.273 1.00 0.35 H new ATOM 0 HG2 ARG A 294 -6.576 -12.668 -3.624 1.00 0.41 H new ATOM 0 HG3 ARG A 294 -7.871 -11.788 -2.837 1.00 0.41 H new ATOM 0 HD2 ARG A 294 -6.511 -10.857 -5.392 1.00 0.44 H new ATOM 0 HD3 ARG A 294 -7.975 -11.820 -5.367 1.00 0.44 H new ATOM 0 HE ARG A 294 -8.215 -9.417 -3.732 1.00 0.43 H new ATOM 0 HH11 ARG A 294 -8.368 -10.715 -7.007 1.00 0.68 H new ATOM 0 HH12 ARG A 294 -9.449 -9.443 -7.586 1.00 0.68 H new ATOM 0 HH21 ARG A 294 -9.597 -7.785 -4.481 1.00 0.58 H new ATOM 0 HH22 ARG A 294 -10.142 -7.791 -6.162 1.00 0.58 H new ATOM 691 N ILE A 295 -4.608 -9.517 0.032 1.00 0.26 N ATOM 692 CA ILE A 295 -3.444 -8.879 0.627 1.00 0.25 C ATOM 693 C ILE A 295 -3.232 -9.414 2.040 1.00 0.25 C ATOM 694 O ILE A 295 -4.190 -9.567 2.803 1.00 0.29 O ATOM 695 CB ILE A 295 -3.584 -7.339 0.658 1.00 0.25 C ATOM 696 CG1 ILE A 295 -3.801 -6.803 -0.759 1.00 0.27 C ATOM 697 CG2 ILE A 295 -2.351 -6.698 1.285 1.00 0.27 C ATOM 698 CD1 ILE A 295 -4.034 -5.308 -0.824 1.00 0.37 C ATOM 0 H ILE A 295 -5.497 -9.075 0.264 1.00 0.26 H new ATOM 0 HA ILE A 295 -2.578 -9.117 0.009 1.00 0.25 H new ATOM 0 HB ILE A 295 -4.449 -7.082 1.269 1.00 0.25 H new ATOM 0 HG12 ILE A 295 -2.931 -7.051 -1.367 1.00 0.27 H new ATOM 0 HG13 ILE A 295 -4.656 -7.313 -1.202 1.00 0.27 H new ATOM 0 HG21 ILE A 295 -2.470 -5.615 1.297 1.00 0.27 H new ATOM 0 HG22 ILE A 295 -2.231 -7.061 2.306 1.00 0.27 H new ATOM 0 HG23 ILE A 295 -1.468 -6.959 0.701 1.00 0.27 H new ATOM 0 HD11 ILE A 295 -4.179 -5.007 -1.862 1.00 0.37 H new ATOM 0 HD12 ILE A 295 -4.921 -5.053 -0.245 1.00 0.37 H new ATOM 0 HD13 ILE A 295 -3.170 -4.787 -0.413 1.00 0.37 H new ATOM 710 N GLU A 296 -1.987 -9.708 2.378 1.00 0.24 N ATOM 711 CA GLU A 296 -1.653 -10.239 3.690 1.00 0.26 C ATOM 712 C GLU A 296 -0.401 -9.559 4.247 1.00 0.24 C ATOM 713 O GLU A 296 0.338 -8.905 3.506 1.00 0.22 O ATOM 714 CB GLU A 296 -1.442 -11.755 3.594 1.00 0.31 C ATOM 715 CG GLU A 296 -0.227 -12.147 2.772 1.00 0.36 C ATOM 716 CD GLU A 296 -0.241 -13.603 2.373 1.00 0.49 C ATOM 717 OE1 GLU A 296 -0.950 -13.950 1.405 1.00 0.56 O ATOM 718 OE2 GLU A 296 0.464 -14.405 3.020 1.00 0.69 O ATOM 0 H GLU A 296 -1.186 -9.587 1.758 1.00 0.24 H new ATOM 0 HA GLU A 296 -2.478 -10.036 4.372 1.00 0.26 H new ATOM 0 HB2 GLU A 296 -1.338 -12.164 4.599 1.00 0.31 H new ATOM 0 HB3 GLU A 296 -2.330 -12.210 3.155 1.00 0.31 H new ATOM 0 HG2 GLU A 296 -0.185 -11.529 1.875 1.00 0.36 H new ATOM 0 HG3 GLU A 296 0.677 -11.940 3.345 1.00 0.36 H new ATOM 725 N PRO A 297 -0.151 -9.686 5.564 1.00 0.26 N ATOM 726 CA PRO A 297 1.028 -9.093 6.199 1.00 0.27 C ATOM 727 C PRO A 297 2.319 -9.679 5.636 1.00 0.27 C ATOM 728 O PRO A 297 2.648 -10.843 5.881 1.00 0.41 O ATOM 729 CB PRO A 297 0.873 -9.457 7.679 1.00 0.32 C ATOM 730 CG PRO A 297 -0.560 -9.828 7.849 1.00 0.34 C ATOM 731 CD PRO A 297 -0.998 -10.400 6.535 1.00 0.32 C ATOM 0 HA PRO A 297 1.091 -8.018 6.028 1.00 0.27 H new ATOM 0 HB2 PRO A 297 1.528 -10.285 7.950 1.00 0.32 H new ATOM 0 HB3 PRO A 297 1.140 -8.617 8.320 1.00 0.32 H new ATOM 0 HG2 PRO A 297 -0.682 -10.556 8.651 1.00 0.34 H new ATOM 0 HG3 PRO A 297 -1.159 -8.957 8.115 1.00 0.34 H new ATOM 0 HD2 PRO A 297 -0.841 -11.478 6.492 1.00 0.32 H new ATOM 0 HD3 PRO A 297 -2.058 -10.225 6.352 1.00 0.32 H new ATOM 739 N GLY A 298 3.034 -8.869 4.872 1.00 0.27 N ATOM 740 CA GLY A 298 4.271 -9.309 4.267 1.00 0.28 C ATOM 741 C GLY A 298 4.328 -8.987 2.790 1.00 0.25 C ATOM 742 O GLY A 298 5.402 -9.009 2.186 1.00 0.29 O ATOM 0 H GLY A 298 2.776 -7.906 4.659 1.00 0.27 H new ATOM 0 HA2 GLY A 298 5.111 -8.834 4.774 1.00 0.28 H new ATOM 0 HA3 GLY A 298 4.381 -10.384 4.408 1.00 0.28 H new ATOM 746 N ASP A 299 3.172 -8.700 2.204 1.00 0.22 N ATOM 747 CA ASP A 299 3.092 -8.364 0.781 1.00 0.22 C ATOM 748 C ASP A 299 3.825 -7.056 0.503 1.00 0.20 C ATOM 749 O ASP A 299 3.759 -6.119 1.298 1.00 0.21 O ATOM 750 CB ASP A 299 1.632 -8.238 0.330 1.00 0.24 C ATOM 751 CG ASP A 299 0.909 -9.572 0.254 1.00 0.27 C ATOM 752 OD1 ASP A 299 1.576 -10.625 0.194 1.00 0.34 O ATOM 753 OD2 ASP A 299 -0.338 -9.576 0.249 1.00 0.28 O ATOM 0 H ASP A 299 2.275 -8.692 2.689 1.00 0.22 H new ATOM 0 HA ASP A 299 3.565 -9.170 0.219 1.00 0.22 H new ATOM 0 HB2 ASP A 299 1.101 -7.584 1.021 1.00 0.24 H new ATOM 0 HB3 ASP A 299 1.601 -7.760 -0.649 1.00 0.24 H new ATOM 758 N MET A 300 4.532 -6.997 -0.615 1.00 0.21 N ATOM 759 CA MET A 300 5.273 -5.799 -0.980 1.00 0.21 C ATOM 760 C MET A 300 4.444 -4.899 -1.888 1.00 0.19 C ATOM 761 O MET A 300 3.806 -5.370 -2.829 1.00 0.21 O ATOM 762 CB MET A 300 6.585 -6.169 -1.674 1.00 0.27 C ATOM 763 CG MET A 300 7.436 -4.964 -2.048 1.00 0.32 C ATOM 764 SD MET A 300 9.074 -5.426 -2.638 1.00 0.50 S ATOM 765 CE MET A 300 9.732 -3.821 -3.086 1.00 1.26 C ATOM 0 H MET A 300 4.608 -7.763 -1.284 1.00 0.21 H new ATOM 0 HA MET A 300 5.498 -5.254 -0.063 1.00 0.21 H new ATOM 0 HB2 MET A 300 7.162 -6.822 -1.019 1.00 0.27 H new ATOM 0 HB3 MET A 300 6.361 -6.740 -2.575 1.00 0.27 H new ATOM 0 HG2 MET A 300 6.925 -4.389 -2.820 1.00 0.32 H new ATOM 0 HG3 MET A 300 7.537 -4.312 -1.180 1.00 0.32 H new ATOM 0 HE1 MET A 300 10.814 -3.822 -2.956 1.00 1.26 H new ATOM 0 HE2 MET A 300 9.492 -3.607 -4.127 1.00 1.26 H new ATOM 0 HE3 MET A 300 9.291 -3.056 -2.447 1.00 1.26 H new ATOM 775 N LEU A 301 4.455 -3.606 -1.598 1.00 0.19 N ATOM 776 CA LEU A 301 3.716 -2.639 -2.396 1.00 0.19 C ATOM 777 C LEU A 301 4.596 -2.114 -3.521 1.00 0.20 C ATOM 778 O LEU A 301 5.641 -1.512 -3.269 1.00 0.24 O ATOM 779 CB LEU A 301 3.236 -1.479 -1.520 1.00 0.23 C ATOM 780 CG LEU A 301 1.985 -1.764 -0.684 1.00 0.33 C ATOM 781 CD1 LEU A 301 1.852 -0.746 0.437 1.00 0.48 C ATOM 782 CD2 LEU A 301 0.744 -1.751 -1.564 1.00 0.47 C ATOM 0 H LEU A 301 4.968 -3.202 -0.815 1.00 0.19 H new ATOM 0 HA LEU A 301 2.845 -3.133 -2.826 1.00 0.19 H new ATOM 0 HB2 LEU A 301 4.045 -1.194 -0.847 1.00 0.23 H new ATOM 0 HB3 LEU A 301 3.037 -0.620 -2.161 1.00 0.23 H new ATOM 0 HG LEU A 301 2.084 -2.755 -0.241 1.00 0.33 H new ATOM 0 HD11 LEU A 301 0.958 -0.963 1.021 1.00 0.48 H new ATOM 0 HD12 LEU A 301 2.729 -0.799 1.082 1.00 0.48 H new ATOM 0 HD13 LEU A 301 1.774 0.255 0.012 1.00 0.48 H new ATOM 0 HD21 LEU A 301 -0.136 -1.955 -0.955 1.00 0.47 H new ATOM 0 HD22 LEU A 301 0.641 -0.773 -2.034 1.00 0.47 H new ATOM 0 HD23 LEU A 301 0.837 -2.516 -2.335 1.00 0.47 H new ATOM 794 N LEU A 302 4.184 -2.354 -4.759 1.00 0.20 N ATOM 795 CA LEU A 302 4.953 -1.902 -5.910 1.00 0.22 C ATOM 796 C LEU A 302 4.312 -0.673 -6.541 1.00 0.22 C ATOM 797 O LEU A 302 4.760 0.455 -6.334 1.00 0.29 O ATOM 798 CB LEU A 302 5.065 -3.012 -6.962 1.00 0.27 C ATOM 799 CG LEU A 302 5.689 -4.326 -6.492 1.00 0.37 C ATOM 800 CD1 LEU A 302 5.846 -5.272 -7.672 1.00 0.53 C ATOM 801 CD2 LEU A 302 7.033 -4.081 -5.827 1.00 0.46 C ATOM 0 H LEU A 302 3.327 -2.856 -4.991 1.00 0.20 H new ATOM 0 HA LEU A 302 5.951 -1.643 -5.557 1.00 0.22 H new ATOM 0 HB2 LEU A 302 4.066 -3.224 -7.344 1.00 0.27 H new ATOM 0 HB3 LEU A 302 5.653 -2.633 -7.798 1.00 0.27 H new ATOM 0 HG LEU A 302 5.027 -4.781 -5.755 1.00 0.37 H new ATOM 0 HD11 LEU A 302 6.291 -6.207 -7.332 1.00 0.53 H new ATOM 0 HD12 LEU A 302 4.868 -5.474 -8.109 1.00 0.53 H new ATOM 0 HD13 LEU A 302 6.491 -4.814 -8.422 1.00 0.53 H new ATOM 0 HD21 LEU A 302 7.456 -5.031 -5.501 1.00 0.46 H new ATOM 0 HD22 LEU A 302 7.710 -3.607 -6.538 1.00 0.46 H new ATOM 0 HD23 LEU A 302 6.898 -3.429 -4.964 1.00 0.46 H new ATOM 813 N GLN A 303 3.244 -0.900 -7.289 1.00 0.21 N ATOM 814 CA GLN A 303 2.548 0.175 -7.970 1.00 0.22 C ATOM 815 C GLN A 303 1.232 0.493 -7.282 1.00 0.21 C ATOM 816 O GLN A 303 0.471 -0.408 -6.922 1.00 0.25 O ATOM 817 CB GLN A 303 2.305 -0.205 -9.433 1.00 0.27 C ATOM 818 CG GLN A 303 1.616 0.879 -10.244 1.00 0.32 C ATOM 819 CD GLN A 303 1.252 0.423 -11.643 1.00 0.51 C ATOM 820 OE1 GLN A 303 0.260 0.873 -12.217 1.00 0.68 O ATOM 821 NE2 GLN A 303 2.046 -0.479 -12.202 1.00 0.73 N ATOM 0 H GLN A 303 2.840 -1.825 -7.439 1.00 0.21 H new ATOM 0 HA GLN A 303 3.172 1.068 -7.932 1.00 0.22 H new ATOM 0 HB2 GLN A 303 3.261 -0.442 -9.900 1.00 0.27 H new ATOM 0 HB3 GLN A 303 1.700 -1.111 -9.467 1.00 0.27 H new ATOM 0 HG2 GLN A 303 0.713 1.197 -9.724 1.00 0.32 H new ATOM 0 HG3 GLN A 303 2.270 1.749 -10.309 1.00 0.32 H new ATOM 0 HE21 GLN A 303 2.859 -0.828 -11.694 1.00 0.73 H new ATOM 0 HE22 GLN A 303 1.844 -0.824 -13.140 1.00 0.73 H new ATOM 830 N VAL A 304 0.978 1.776 -7.092 1.00 0.20 N ATOM 831 CA VAL A 304 -0.246 2.233 -6.459 1.00 0.21 C ATOM 832 C VAL A 304 -0.876 3.338 -7.292 1.00 0.22 C ATOM 833 O VAL A 304 -0.427 4.481 -7.262 1.00 0.26 O ATOM 834 CB VAL A 304 0.001 2.748 -5.026 1.00 0.24 C ATOM 835 CG1 VAL A 304 -1.293 3.276 -4.419 1.00 0.29 C ATOM 836 CG2 VAL A 304 0.594 1.648 -4.159 1.00 0.27 C ATOM 0 H VAL A 304 1.611 2.526 -7.370 1.00 0.20 H new ATOM 0 HA VAL A 304 -0.920 1.379 -6.396 1.00 0.21 H new ATOM 0 HB VAL A 304 0.717 3.569 -5.072 1.00 0.24 H new ATOM 0 HG11 VAL A 304 -1.101 3.635 -3.408 1.00 0.29 H new ATOM 0 HG12 VAL A 304 -1.673 4.095 -5.029 1.00 0.29 H new ATOM 0 HG13 VAL A 304 -2.032 2.476 -4.385 1.00 0.29 H new ATOM 0 HG21 VAL A 304 0.762 2.029 -3.152 1.00 0.27 H new ATOM 0 HG22 VAL A 304 -0.096 0.805 -4.118 1.00 0.27 H new ATOM 0 HG23 VAL A 304 1.542 1.320 -4.585 1.00 0.27 H new ATOM 846 N ASN A 305 -1.912 2.973 -8.039 1.00 0.27 N ATOM 847 CA ASN A 305 -2.625 3.907 -8.908 1.00 0.33 C ATOM 848 C ASN A 305 -1.691 4.542 -9.936 1.00 0.31 C ATOM 849 O ASN A 305 -1.349 5.726 -9.840 1.00 0.34 O ATOM 850 CB ASN A 305 -3.336 4.995 -8.093 1.00 0.39 C ATOM 851 CG ASN A 305 -4.774 4.630 -7.764 1.00 0.78 C ATOM 852 OD1 ASN A 305 -5.100 3.461 -7.575 1.00 1.71 O ATOM 853 ND2 ASN A 305 -5.648 5.626 -7.697 1.00 1.14 N ATOM 0 H ASN A 305 -2.282 2.023 -8.061 1.00 0.27 H new ATOM 0 HA ASN A 305 -3.379 3.331 -9.445 1.00 0.33 H new ATOM 0 HB2 ASN A 305 -2.787 5.167 -7.167 1.00 0.39 H new ATOM 0 HB3 ASN A 305 -3.321 5.931 -8.651 1.00 0.39 H new ATOM 0 HD21 ASN A 305 -6.626 5.433 -7.483 1.00 1.14 H new ATOM 0 HD22 ASN A 305 -5.342 6.585 -7.860 1.00 1.14 H new ATOM 860 N ASP A 306 -1.259 3.723 -10.894 1.00 0.32 N ATOM 861 CA ASP A 306 -0.387 4.144 -11.999 1.00 0.35 C ATOM 862 C ASP A 306 1.075 4.324 -11.590 1.00 0.31 C ATOM 863 O ASP A 306 1.965 3.748 -12.214 1.00 0.35 O ATOM 864 CB ASP A 306 -0.900 5.432 -12.656 1.00 0.42 C ATOM 865 CG ASP A 306 -1.739 5.166 -13.886 1.00 0.66 C ATOM 866 OD1 ASP A 306 -2.933 4.830 -13.738 1.00 1.11 O ATOM 867 OD2 ASP A 306 -1.215 5.310 -15.012 1.00 1.06 O ATOM 0 H ASP A 306 -1.506 2.734 -10.928 1.00 0.32 H new ATOM 0 HA ASP A 306 -0.422 3.327 -12.720 1.00 0.35 H new ATOM 0 HB2 ASP A 306 -1.491 5.993 -11.933 1.00 0.42 H new ATOM 0 HB3 ASP A 306 -0.051 6.059 -12.929 1.00 0.42 H new ATOM 872 N VAL A 307 1.330 5.116 -10.559 1.00 0.30 N ATOM 873 CA VAL A 307 2.703 5.370 -10.124 1.00 0.29 C ATOM 874 C VAL A 307 3.325 4.152 -9.440 1.00 0.25 C ATOM 875 O VAL A 307 2.713 3.522 -8.574 1.00 0.28 O ATOM 876 CB VAL A 307 2.799 6.596 -9.187 1.00 0.34 C ATOM 877 CG1 VAL A 307 2.770 7.886 -9.992 1.00 0.71 C ATOM 878 CG2 VAL A 307 1.681 6.585 -8.156 1.00 0.53 C ATOM 0 H VAL A 307 0.614 5.592 -10.010 1.00 0.30 H new ATOM 0 HA VAL A 307 3.267 5.583 -11.032 1.00 0.29 H new ATOM 0 HB VAL A 307 3.749 6.540 -8.655 1.00 0.34 H new ATOM 0 HG11 VAL A 307 2.838 8.738 -9.316 1.00 0.71 H new ATOM 0 HG12 VAL A 307 3.613 7.902 -10.683 1.00 0.71 H new ATOM 0 HG13 VAL A 307 1.838 7.943 -10.554 1.00 0.71 H new ATOM 0 HG21 VAL A 307 1.773 7.458 -7.510 1.00 0.53 H new ATOM 0 HG22 VAL A 307 0.717 6.609 -8.664 1.00 0.53 H new ATOM 0 HG23 VAL A 307 1.751 5.679 -7.553 1.00 0.53 H new ATOM 888 N ASN A 308 4.551 3.831 -9.845 1.00 0.25 N ATOM 889 CA ASN A 308 5.290 2.699 -9.292 1.00 0.25 C ATOM 890 C ASN A 308 6.348 3.201 -8.315 1.00 0.24 C ATOM 891 O ASN A 308 7.111 4.116 -8.634 1.00 0.33 O ATOM 892 CB ASN A 308 5.935 1.892 -10.424 1.00 0.33 C ATOM 893 CG ASN A 308 6.536 0.583 -9.948 1.00 0.46 C ATOM 894 OD1 ASN A 308 6.270 0.133 -8.837 1.00 0.58 O ATOM 895 ND2 ASN A 308 7.339 -0.048 -10.793 1.00 0.74 N ATOM 0 H ASN A 308 5.059 4.346 -10.564 1.00 0.25 H new ATOM 0 HA ASN A 308 4.603 2.047 -8.754 1.00 0.25 H new ATOM 0 HB2 ASN A 308 5.186 1.685 -11.188 1.00 0.33 H new ATOM 0 HB3 ASN A 308 6.713 2.493 -10.894 1.00 0.33 H new ATOM 0 HD21 ASN A 308 7.759 -0.939 -10.528 1.00 0.74 H new ATOM 0 HD22 ASN A 308 7.537 0.357 -11.708 1.00 0.74 H new ATOM 902 N PHE A 309 6.399 2.599 -7.132 1.00 0.22 N ATOM 903 CA PHE A 309 7.345 3.014 -6.100 1.00 0.24 C ATOM 904 C PHE A 309 8.600 2.143 -6.091 1.00 0.26 C ATOM 905 O PHE A 309 9.468 2.315 -5.235 1.00 0.30 O ATOM 906 CB PHE A 309 6.680 2.971 -4.719 1.00 0.28 C ATOM 907 CG PHE A 309 5.440 3.820 -4.606 1.00 0.26 C ATOM 908 CD1 PHE A 309 5.388 5.078 -5.185 1.00 0.29 C ATOM 909 CD2 PHE A 309 4.327 3.356 -3.923 1.00 0.31 C ATOM 910 CE1 PHE A 309 4.251 5.855 -5.084 1.00 0.33 C ATOM 911 CE2 PHE A 309 3.187 4.130 -3.820 1.00 0.33 C ATOM 912 CZ PHE A 309 3.150 5.381 -4.402 1.00 0.33 C ATOM 0 H PHE A 309 5.796 1.821 -6.863 1.00 0.22 H new ATOM 0 HA PHE A 309 7.646 4.036 -6.331 1.00 0.24 H new ATOM 0 HB2 PHE A 309 6.423 1.938 -4.484 1.00 0.28 H new ATOM 0 HB3 PHE A 309 7.401 3.299 -3.970 1.00 0.28 H new ATOM 0 HD1 PHE A 309 6.246 5.455 -5.721 1.00 0.29 H new ATOM 0 HD2 PHE A 309 4.351 2.378 -3.466 1.00 0.31 H new ATOM 0 HE1 PHE A 309 4.224 6.834 -5.539 1.00 0.33 H new ATOM 0 HE2 PHE A 309 2.326 3.757 -3.285 1.00 0.33 H new ATOM 0 HZ PHE A 309 2.260 5.988 -4.323 1.00 0.33 H new ATOM 922 N GLU A 310 8.695 1.216 -7.041 1.00 0.29 N ATOM 923 CA GLU A 310 9.856 0.325 -7.134 1.00 0.33 C ATOM 924 C GLU A 310 11.158 1.108 -7.272 1.00 0.35 C ATOM 925 O GLU A 310 12.206 0.687 -6.780 1.00 0.47 O ATOM 926 CB GLU A 310 9.713 -0.622 -8.324 1.00 0.40 C ATOM 927 CG GLU A 310 8.806 -1.809 -8.059 1.00 0.54 C ATOM 928 CD GLU A 310 8.838 -2.820 -9.188 1.00 0.67 C ATOM 929 OE1 GLU A 310 8.224 -2.559 -10.245 1.00 1.04 O ATOM 930 OE2 GLU A 310 9.485 -3.877 -9.029 1.00 1.21 O ATOM 0 H GLU A 310 7.986 1.060 -7.757 1.00 0.29 H new ATOM 0 HA GLU A 310 9.893 -0.250 -6.209 1.00 0.33 H new ATOM 0 HB2 GLU A 310 9.325 -0.063 -9.176 1.00 0.40 H new ATOM 0 HB3 GLU A 310 10.700 -0.987 -8.606 1.00 0.40 H new ATOM 0 HG2 GLU A 310 9.108 -2.294 -7.131 1.00 0.54 H new ATOM 0 HG3 GLU A 310 7.784 -1.458 -7.917 1.00 0.54 H new ATOM 937 N ASN A 311 11.082 2.253 -7.934 1.00 0.35 N ATOM 938 CA ASN A 311 12.254 3.089 -8.156 1.00 0.41 C ATOM 939 C ASN A 311 12.236 4.324 -7.262 1.00 0.37 C ATOM 940 O ASN A 311 12.597 5.419 -7.691 1.00 0.48 O ATOM 941 CB ASN A 311 12.325 3.512 -9.623 1.00 0.54 C ATOM 942 CG ASN A 311 12.733 2.377 -10.537 1.00 0.89 C ATOM 943 OD1 ASN A 311 13.918 2.133 -10.749 1.00 1.27 O ATOM 944 ND2 ASN A 311 11.753 1.683 -11.097 1.00 1.32 N ATOM 0 H ASN A 311 10.218 2.626 -8.328 1.00 0.35 H new ATOM 0 HA ASN A 311 13.136 2.501 -7.903 1.00 0.41 H new ATOM 0 HB2 ASN A 311 11.353 3.893 -9.935 1.00 0.54 H new ATOM 0 HB3 ASN A 311 13.037 4.331 -9.727 1.00 0.54 H new ATOM 0 HD21 ASN A 311 11.970 0.914 -11.731 1.00 1.32 H new ATOM 0 HD22 ASN A 311 10.781 1.918 -10.894 1.00 1.32 H new ATOM 951 N MET A 312 11.814 4.148 -6.019 1.00 0.30 N ATOM 952 CA MET A 312 11.757 5.251 -5.068 1.00 0.28 C ATOM 953 C MET A 312 12.170 4.775 -3.684 1.00 0.26 C ATOM 954 O MET A 312 12.256 3.573 -3.439 1.00 0.34 O ATOM 955 CB MET A 312 10.351 5.851 -5.033 1.00 0.28 C ATOM 956 CG MET A 312 10.131 6.922 -6.088 1.00 0.39 C ATOM 957 SD MET A 312 8.391 7.151 -6.507 1.00 0.37 S ATOM 958 CE MET A 312 7.761 7.877 -4.997 1.00 0.51 C ATOM 0 H MET A 312 11.505 3.251 -5.644 1.00 0.30 H new ATOM 0 HA MET A 312 12.453 6.026 -5.389 1.00 0.28 H new ATOM 0 HB2 MET A 312 9.620 5.055 -5.174 1.00 0.28 H new ATOM 0 HB3 MET A 312 10.170 6.279 -4.047 1.00 0.28 H new ATOM 0 HG2 MET A 312 10.540 7.867 -5.730 1.00 0.39 H new ATOM 0 HG3 MET A 312 10.684 6.656 -6.989 1.00 0.39 H new ATOM 0 HE1 MET A 312 6.672 7.830 -4.998 1.00 0.51 H new ATOM 0 HE2 MET A 312 8.148 7.326 -4.140 1.00 0.51 H new ATOM 0 HE3 MET A 312 8.079 8.918 -4.933 1.00 0.51 H new ATOM 968 N SER A 313 12.446 5.715 -2.789 1.00 0.26 N ATOM 969 CA SER A 313 12.847 5.377 -1.434 1.00 0.28 C ATOM 970 C SER A 313 11.623 5.010 -0.608 1.00 0.24 C ATOM 971 O SER A 313 10.494 5.320 -0.993 1.00 0.26 O ATOM 972 CB SER A 313 13.580 6.558 -0.790 1.00 0.36 C ATOM 973 OG SER A 313 12.686 7.627 -0.519 1.00 0.97 O ATOM 0 H SER A 313 12.399 6.716 -2.979 1.00 0.26 H new ATOM 0 HA SER A 313 13.522 4.522 -1.468 1.00 0.28 H new ATOM 0 HB2 SER A 313 14.056 6.234 0.136 1.00 0.36 H new ATOM 0 HB3 SER A 313 14.374 6.903 -1.453 1.00 0.36 H new ATOM 0 HG SER A 313 12.879 8.376 -1.121 1.00 0.97 H new ATOM 979 N ASN A 314 11.845 4.349 0.522 1.00 0.26 N ATOM 980 CA ASN A 314 10.750 3.955 1.407 1.00 0.27 C ATOM 981 C ASN A 314 9.953 5.181 1.828 1.00 0.25 C ATOM 982 O ASN A 314 8.724 5.148 1.894 1.00 0.33 O ATOM 983 CB ASN A 314 11.279 3.251 2.660 1.00 0.35 C ATOM 984 CG ASN A 314 12.200 2.086 2.357 1.00 0.37 C ATOM 985 OD1 ASN A 314 12.099 1.444 1.315 1.00 0.45 O ATOM 986 ND2 ASN A 314 13.108 1.801 3.273 1.00 0.48 N ATOM 0 H ASN A 314 12.771 4.074 0.849 1.00 0.26 H new ATOM 0 HA ASN A 314 10.110 3.265 0.858 1.00 0.27 H new ATOM 0 HB2 ASN A 314 11.813 3.975 3.276 1.00 0.35 H new ATOM 0 HB3 ASN A 314 10.435 2.893 3.249 1.00 0.35 H new ATOM 0 HD21 ASN A 314 13.754 1.026 3.126 1.00 0.48 H new ATOM 0 HD22 ASN A 314 13.163 2.356 4.127 1.00 0.48 H new ATOM 993 N ASP A 315 10.679 6.263 2.098 1.00 0.26 N ATOM 994 CA ASP A 315 10.078 7.522 2.519 1.00 0.28 C ATOM 995 C ASP A 315 9.180 8.080 1.419 1.00 0.23 C ATOM 996 O ASP A 315 7.992 8.317 1.633 1.00 0.24 O ATOM 997 CB ASP A 315 11.183 8.530 2.861 1.00 0.37 C ATOM 998 CG ASP A 315 10.700 9.686 3.725 1.00 0.83 C ATOM 999 OD1 ASP A 315 9.505 10.031 3.662 1.00 1.36 O ATOM 1000 OD2 ASP A 315 11.523 10.262 4.469 1.00 1.40 O ATOM 0 H ASP A 315 11.696 6.290 2.031 1.00 0.26 H new ATOM 0 HA ASP A 315 9.467 7.344 3.404 1.00 0.28 H new ATOM 0 HB2 ASP A 315 11.990 8.012 3.379 1.00 0.37 H new ATOM 0 HB3 ASP A 315 11.601 8.927 1.936 1.00 0.37 H new ATOM 1005 N ASP A 316 9.755 8.244 0.227 1.00 0.23 N ATOM 1006 CA ASP A 316 9.022 8.786 -0.922 1.00 0.24 C ATOM 1007 C ASP A 316 7.825 7.913 -1.278 1.00 0.19 C ATOM 1008 O ASP A 316 6.774 8.416 -1.677 1.00 0.20 O ATOM 1009 CB ASP A 316 9.937 8.903 -2.146 1.00 0.32 C ATOM 1010 CG ASP A 316 11.042 9.924 -1.968 1.00 0.50 C ATOM 1011 OD1 ASP A 316 10.749 11.069 -1.566 1.00 0.69 O ATOM 1012 OD2 ASP A 316 12.218 9.578 -2.232 1.00 0.88 O ATOM 0 H ASP A 316 10.728 8.009 0.030 1.00 0.23 H new ATOM 0 HA ASP A 316 8.666 9.776 -0.637 1.00 0.24 H new ATOM 0 HB2 ASP A 316 10.381 7.929 -2.355 1.00 0.32 H new ATOM 0 HB3 ASP A 316 9.338 9.173 -3.015 1.00 0.32 H new ATOM 1017 N ALA A 317 7.994 6.606 -1.128 1.00 0.17 N ATOM 1018 CA ALA A 317 6.945 5.647 -1.444 1.00 0.16 C ATOM 1019 C ALA A 317 5.669 5.902 -0.640 1.00 0.14 C ATOM 1020 O ALA A 317 4.596 6.102 -1.214 1.00 0.17 O ATOM 1021 CB ALA A 317 7.446 4.232 -1.205 1.00 0.20 C ATOM 0 H ALA A 317 8.857 6.183 -0.786 1.00 0.17 H new ATOM 0 HA ALA A 317 6.692 5.771 -2.497 1.00 0.16 H new ATOM 0 HB1 ALA A 317 6.655 3.521 -1.444 1.00 0.20 H new ATOM 0 HB2 ALA A 317 8.311 4.040 -1.840 1.00 0.20 H new ATOM 0 HB3 ALA A 317 7.732 4.119 -0.159 1.00 0.20 H new ATOM 1027 N VAL A 318 5.783 5.925 0.686 1.00 0.12 N ATOM 1028 CA VAL A 318 4.614 6.139 1.538 1.00 0.12 C ATOM 1029 C VAL A 318 4.094 7.568 1.419 1.00 0.11 C ATOM 1030 O VAL A 318 2.905 7.815 1.626 1.00 0.14 O ATOM 1031 CB VAL A 318 4.887 5.815 3.024 1.00 0.15 C ATOM 1032 CG1 VAL A 318 3.592 5.452 3.731 1.00 0.18 C ATOM 1033 CG2 VAL A 318 5.899 4.688 3.154 1.00 0.21 C ATOM 0 H VAL A 318 6.661 5.800 1.190 1.00 0.12 H new ATOM 0 HA VAL A 318 3.855 5.445 1.178 1.00 0.12 H new ATOM 0 HB VAL A 318 5.306 6.703 3.497 1.00 0.15 H new ATOM 0 HG11 VAL A 318 3.799 5.226 4.777 1.00 0.18 H new ATOM 0 HG12 VAL A 318 2.898 6.290 3.672 1.00 0.18 H new ATOM 0 HG13 VAL A 318 3.149 4.579 3.252 1.00 0.18 H new ATOM 0 HG21 VAL A 318 6.075 4.477 4.209 1.00 0.21 H new ATOM 0 HG22 VAL A 318 5.513 3.794 2.665 1.00 0.21 H new ATOM 0 HG23 VAL A 318 6.836 4.984 2.681 1.00 0.21 H new ATOM 1043 N ARG A 319 4.976 8.503 1.077 1.00 0.12 N ATOM 1044 CA ARG A 319 4.576 9.897 0.920 1.00 0.16 C ATOM 1045 C ARG A 319 3.465 10.008 -0.112 1.00 0.14 C ATOM 1046 O ARG A 319 2.407 10.575 0.158 1.00 0.22 O ATOM 1047 CB ARG A 319 5.758 10.765 0.489 1.00 0.21 C ATOM 1048 CG ARG A 319 6.714 11.103 1.616 1.00 0.35 C ATOM 1049 CD ARG A 319 7.851 11.980 1.131 1.00 0.40 C ATOM 1050 NE ARG A 319 8.922 12.068 2.116 1.00 0.50 N ATOM 1051 CZ ARG A 319 9.778 13.081 2.198 1.00 0.61 C ATOM 1052 NH1 ARG A 319 9.705 14.085 1.332 1.00 0.83 N ATOM 1053 NH2 ARG A 319 10.723 13.080 3.132 1.00 0.81 N ATOM 0 H ARG A 319 5.965 8.322 0.905 1.00 0.12 H new ATOM 0 HA ARG A 319 4.217 10.253 1.886 1.00 0.16 H new ATOM 0 HB2 ARG A 319 6.308 10.249 -0.298 1.00 0.21 H new ATOM 0 HB3 ARG A 319 5.378 11.691 0.058 1.00 0.21 H new ATOM 0 HG2 ARG A 319 6.173 11.613 2.413 1.00 0.35 H new ATOM 0 HG3 ARG A 319 7.117 10.184 2.041 1.00 0.35 H new ATOM 0 HD2 ARG A 319 8.247 11.579 0.198 1.00 0.40 H new ATOM 0 HD3 ARG A 319 7.473 12.979 0.914 1.00 0.40 H new ATOM 0 HE ARG A 319 9.021 11.304 2.784 1.00 0.50 H new ATOM 0 HH11 ARG A 319 8.991 14.079 0.603 1.00 0.83 H new ATOM 0 HH12 ARG A 319 10.362 14.862 1.396 1.00 0.83 H new ATOM 0 HH21 ARG A 319 10.792 12.301 3.787 1.00 0.81 H new ATOM 0 HH22 ARG A 319 11.380 13.858 3.194 1.00 0.81 H new ATOM 1067 N VAL A 320 3.702 9.436 -1.284 1.00 0.10 N ATOM 1068 CA VAL A 320 2.720 9.465 -2.358 1.00 0.10 C ATOM 1069 C VAL A 320 1.527 8.575 -2.013 1.00 0.09 C ATOM 1070 O VAL A 320 0.380 8.924 -2.295 1.00 0.11 O ATOM 1071 CB VAL A 320 3.338 9.010 -3.697 1.00 0.14 C ATOM 1072 CG1 VAL A 320 2.357 9.209 -4.848 1.00 0.17 C ATOM 1073 CG2 VAL A 320 4.637 9.757 -3.959 1.00 0.17 C ATOM 0 H VAL A 320 4.566 8.946 -1.515 1.00 0.10 H new ATOM 0 HA VAL A 320 2.382 10.495 -2.468 1.00 0.10 H new ATOM 0 HB VAL A 320 3.558 7.945 -3.628 1.00 0.14 H new ATOM 0 HG11 VAL A 320 2.818 8.880 -5.780 1.00 0.17 H new ATOM 0 HG12 VAL A 320 1.456 8.625 -4.663 1.00 0.17 H new ATOM 0 HG13 VAL A 320 2.096 10.264 -4.925 1.00 0.17 H new ATOM 0 HG21 VAL A 320 5.062 9.426 -4.907 1.00 0.17 H new ATOM 0 HG22 VAL A 320 4.438 10.828 -4.004 1.00 0.17 H new ATOM 0 HG23 VAL A 320 5.343 9.553 -3.154 1.00 0.17 H new ATOM 1083 N LEU A 321 1.813 7.435 -1.385 1.00 0.08 N ATOM 1084 CA LEU A 321 0.776 6.481 -0.985 1.00 0.09 C ATOM 1085 C LEU A 321 -0.267 7.150 -0.102 1.00 0.09 C ATOM 1086 O LEU A 321 -1.465 7.073 -0.371 1.00 0.10 O ATOM 1087 CB LEU A 321 1.395 5.301 -0.222 1.00 0.11 C ATOM 1088 CG LEU A 321 0.436 4.162 0.135 1.00 0.20 C ATOM 1089 CD1 LEU A 321 -0.327 3.685 -1.088 1.00 0.38 C ATOM 1090 CD2 LEU A 321 1.205 3.012 0.768 1.00 0.29 C ATOM 0 H LEU A 321 2.761 7.147 -1.140 1.00 0.08 H new ATOM 0 HA LEU A 321 0.295 6.117 -1.893 1.00 0.09 H new ATOM 0 HB2 LEU A 321 2.208 4.892 -0.821 1.00 0.11 H new ATOM 0 HB3 LEU A 321 1.838 5.680 0.699 1.00 0.11 H new ATOM 0 HG LEU A 321 -0.291 4.539 0.854 1.00 0.20 H new ATOM 0 HD11 LEU A 321 -1.000 2.876 -0.804 1.00 0.38 H new ATOM 0 HD12 LEU A 321 -0.906 4.511 -1.501 1.00 0.38 H new ATOM 0 HD13 LEU A 321 0.377 3.325 -1.838 1.00 0.38 H new ATOM 0 HD21 LEU A 321 0.514 2.207 1.018 1.00 0.29 H new ATOM 0 HD22 LEU A 321 1.952 2.644 0.065 1.00 0.29 H new ATOM 0 HD23 LEU A 321 1.700 3.361 1.674 1.00 0.29 H new ATOM 1102 N ARG A 322 0.201 7.823 0.941 1.00 0.10 N ATOM 1103 CA ARG A 322 -0.689 8.495 1.875 1.00 0.12 C ATOM 1104 C ARG A 322 -1.511 9.568 1.173 1.00 0.13 C ATOM 1105 O ARG A 322 -2.692 9.736 1.461 1.00 0.21 O ATOM 1106 CB ARG A 322 0.099 9.091 3.040 1.00 0.15 C ATOM 1107 CG ARG A 322 0.798 8.040 3.890 1.00 0.19 C ATOM 1108 CD ARG A 322 0.920 8.480 5.340 1.00 0.34 C ATOM 1109 NE ARG A 322 -0.381 8.523 6.009 1.00 0.49 N ATOM 1110 CZ ARG A 322 -0.891 9.609 6.590 1.00 1.05 C ATOM 1111 NH1 ARG A 322 -0.179 10.725 6.665 1.00 1.57 N ATOM 1112 NH2 ARG A 322 -2.103 9.569 7.124 1.00 1.28 N ATOM 0 H ARG A 322 1.193 7.917 1.160 1.00 0.10 H new ATOM 0 HA ARG A 322 -1.379 7.752 2.275 1.00 0.12 H new ATOM 0 HB2 ARG A 322 0.842 9.786 2.650 1.00 0.15 H new ATOM 0 HB3 ARG A 322 -0.577 9.668 3.671 1.00 0.15 H new ATOM 0 HG2 ARG A 322 0.243 7.103 3.839 1.00 0.19 H new ATOM 0 HG3 ARG A 322 1.791 7.845 3.484 1.00 0.19 H new ATOM 0 HD2 ARG A 322 1.580 7.795 5.873 1.00 0.34 H new ATOM 0 HD3 ARG A 322 1.383 9.466 5.382 1.00 0.34 H new ATOM 0 HE ARG A 322 -0.934 7.666 6.032 1.00 0.49 H new ATOM 0 HH11 ARG A 322 0.764 10.755 6.277 1.00 1.57 H new ATOM 0 HH12 ARG A 322 -0.574 11.553 7.111 1.00 1.57 H new ATOM 0 HH21 ARG A 322 -2.647 8.707 7.091 1.00 1.28 H new ATOM 0 HH22 ARG A 322 -2.492 10.401 7.568 1.00 1.28 H new ATOM 1126 N GLU A 323 -0.890 10.275 0.238 1.00 0.12 N ATOM 1127 CA GLU A 323 -1.579 11.321 -0.508 1.00 0.15 C ATOM 1128 C GLU A 323 -2.702 10.730 -1.351 1.00 0.14 C ATOM 1129 O GLU A 323 -3.816 11.245 -1.358 1.00 0.21 O ATOM 1130 CB GLU A 323 -0.597 12.081 -1.401 1.00 0.20 C ATOM 1131 CG GLU A 323 0.278 13.057 -0.635 1.00 0.62 C ATOM 1132 CD GLU A 323 -0.527 14.060 0.169 1.00 1.27 C ATOM 1133 OE1 GLU A 323 -1.263 14.865 -0.438 1.00 1.76 O ATOM 1134 OE2 GLU A 323 -0.413 14.059 1.413 1.00 1.87 O ATOM 0 H GLU A 323 0.088 10.144 -0.022 1.00 0.12 H new ATOM 0 HA GLU A 323 -2.012 12.019 0.209 1.00 0.15 H new ATOM 0 HB2 GLU A 323 0.039 11.365 -1.922 1.00 0.20 H new ATOM 0 HB3 GLU A 323 -1.155 12.625 -2.163 1.00 0.20 H new ATOM 0 HG2 GLU A 323 0.933 12.501 0.036 1.00 0.62 H new ATOM 0 HG3 GLU A 323 0.919 13.591 -1.336 1.00 0.62 H new ATOM 1141 N ILE A 324 -2.410 9.635 -2.039 1.00 0.12 N ATOM 1142 CA ILE A 324 -3.397 8.976 -2.888 1.00 0.14 C ATOM 1143 C ILE A 324 -4.609 8.532 -2.071 1.00 0.14 C ATOM 1144 O ILE A 324 -5.752 8.748 -2.474 1.00 0.18 O ATOM 1145 CB ILE A 324 -2.792 7.754 -3.620 1.00 0.18 C ATOM 1146 CG1 ILE A 324 -1.658 8.201 -4.545 1.00 0.21 C ATOM 1147 CG2 ILE A 324 -3.862 7.010 -4.414 1.00 0.23 C ATOM 1148 CD1 ILE A 324 -0.843 7.054 -5.106 1.00 0.29 C ATOM 0 H ILE A 324 -1.496 9.182 -2.027 1.00 0.12 H new ATOM 0 HA ILE A 324 -3.714 9.705 -3.634 1.00 0.14 H new ATOM 0 HB ILE A 324 -2.389 7.072 -2.872 1.00 0.18 H new ATOM 0 HG12 ILE A 324 -2.079 8.774 -5.371 1.00 0.21 H new ATOM 0 HG13 ILE A 324 -0.996 8.871 -3.997 1.00 0.21 H new ATOM 0 HG21 ILE A 324 -3.412 6.156 -4.919 1.00 0.23 H new ATOM 0 HG22 ILE A 324 -4.641 6.662 -3.736 1.00 0.23 H new ATOM 0 HG23 ILE A 324 -4.298 7.681 -5.154 1.00 0.23 H new ATOM 0 HD11 ILE A 324 -0.058 7.447 -5.752 1.00 0.29 H new ATOM 0 HD12 ILE A 324 -0.392 6.493 -4.287 1.00 0.29 H new ATOM 0 HD13 ILE A 324 -1.492 6.395 -5.683 1.00 0.29 H new ATOM 1160 N VAL A 325 -4.351 7.944 -0.908 1.00 0.11 N ATOM 1161 CA VAL A 325 -5.418 7.460 -0.035 1.00 0.13 C ATOM 1162 C VAL A 325 -6.165 8.620 0.632 1.00 0.16 C ATOM 1163 O VAL A 325 -7.263 8.448 1.166 1.00 0.24 O ATOM 1164 CB VAL A 325 -4.863 6.494 1.043 1.00 0.15 C ATOM 1165 CG1 VAL A 325 -5.993 5.863 1.852 1.00 0.19 C ATOM 1166 CG2 VAL A 325 -4.013 5.414 0.392 1.00 0.16 C ATOM 0 H VAL A 325 -3.410 7.790 -0.546 1.00 0.11 H new ATOM 0 HA VAL A 325 -6.124 6.914 -0.661 1.00 0.13 H new ATOM 0 HB VAL A 325 -4.241 7.071 1.727 1.00 0.15 H new ATOM 0 HG11 VAL A 325 -5.573 5.190 2.600 1.00 0.19 H new ATOM 0 HG12 VAL A 325 -6.566 6.646 2.349 1.00 0.19 H new ATOM 0 HG13 VAL A 325 -6.648 5.301 1.186 1.00 0.19 H new ATOM 0 HG21 VAL A 325 -3.629 4.742 1.159 1.00 0.16 H new ATOM 0 HG22 VAL A 325 -4.621 4.849 -0.314 1.00 0.16 H new ATOM 0 HG23 VAL A 325 -3.179 5.876 -0.136 1.00 0.16 H new ATOM 1176 N SER A 326 -5.577 9.806 0.590 1.00 0.19 N ATOM 1177 CA SER A 326 -6.202 10.980 1.179 1.00 0.24 C ATOM 1178 C SER A 326 -7.239 11.580 0.227 1.00 0.27 C ATOM 1179 O SER A 326 -8.092 12.368 0.638 1.00 0.44 O ATOM 1180 CB SER A 326 -5.148 12.025 1.548 1.00 0.32 C ATOM 1181 OG SER A 326 -4.282 11.533 2.559 1.00 0.37 O ATOM 0 H SER A 326 -4.671 9.981 0.156 1.00 0.19 H new ATOM 0 HA SER A 326 -6.713 10.669 2.090 1.00 0.24 H new ATOM 0 HB2 SER A 326 -4.568 12.291 0.664 1.00 0.32 H new ATOM 0 HB3 SER A 326 -5.638 12.935 1.894 1.00 0.32 H new ATOM 0 HG SER A 326 -3.599 10.958 2.154 1.00 0.37 H new ATOM 1187 N GLN A 327 -7.167 11.193 -1.041 1.00 0.27 N ATOM 1188 CA GLN A 327 -8.098 11.687 -2.047 1.00 0.32 C ATOM 1189 C GLN A 327 -9.224 10.683 -2.266 1.00 0.34 C ATOM 1190 O GLN A 327 -9.097 9.509 -1.922 1.00 0.53 O ATOM 1191 CB GLN A 327 -7.369 11.961 -3.366 1.00 0.41 C ATOM 1192 CG GLN A 327 -6.841 13.383 -3.487 1.00 0.63 C ATOM 1193 CD GLN A 327 -5.670 13.664 -2.565 1.00 0.75 C ATOM 1194 OE1 GLN A 327 -5.849 14.070 -1.418 1.00 1.16 O ATOM 1195 NE2 GLN A 327 -4.464 13.459 -3.066 1.00 0.94 N ATOM 0 H GLN A 327 -6.472 10.537 -1.397 1.00 0.27 H new ATOM 0 HA GLN A 327 -8.528 12.622 -1.688 1.00 0.32 H new ATOM 0 HB2 GLN A 327 -6.537 11.264 -3.463 1.00 0.41 H new ATOM 0 HB3 GLN A 327 -8.049 11.763 -4.195 1.00 0.41 H new ATOM 0 HG2 GLN A 327 -6.536 13.564 -4.518 1.00 0.63 H new ATOM 0 HG3 GLN A 327 -7.646 14.083 -3.265 1.00 0.63 H new ATOM 0 HE21 GLN A 327 -4.360 13.121 -4.023 1.00 0.94 H new ATOM 0 HE22 GLN A 327 -3.638 13.638 -2.496 1.00 0.94 H new ATOM 1204 N THR A 328 -10.326 11.145 -2.834 1.00 0.42 N ATOM 1205 CA THR A 328 -11.463 10.276 -3.087 1.00 0.49 C ATOM 1206 C THR A 328 -11.424 9.721 -4.508 1.00 0.51 C ATOM 1207 O THR A 328 -11.220 10.462 -5.474 1.00 0.84 O ATOM 1208 CB THR A 328 -12.788 11.021 -2.855 1.00 0.66 C ATOM 1209 OG1 THR A 328 -12.591 12.431 -3.032 1.00 0.88 O ATOM 1210 CG2 THR A 328 -13.326 10.749 -1.456 1.00 0.89 C ATOM 0 H THR A 328 -10.457 12.113 -3.128 1.00 0.42 H new ATOM 0 HA THR A 328 -11.401 9.444 -2.385 1.00 0.49 H new ATOM 0 HB THR A 328 -13.516 10.660 -3.581 1.00 0.66 H new ATOM 0 HG1 THR A 328 -13.438 12.901 -2.885 1.00 0.88 H new ATOM 0 HG21 THR A 328 -14.264 11.287 -1.316 1.00 0.89 H new ATOM 0 HG22 THR A 328 -13.499 9.680 -1.334 1.00 0.89 H new ATOM 0 HG23 THR A 328 -12.601 11.086 -0.715 1.00 0.89 H new ATOM 1218 N GLY A 329 -11.593 8.411 -4.625 1.00 0.45 N ATOM 1219 CA GLY A 329 -11.582 7.765 -5.923 1.00 0.44 C ATOM 1220 C GLY A 329 -11.193 6.306 -5.814 1.00 0.39 C ATOM 1221 O GLY A 329 -10.871 5.837 -4.723 1.00 0.43 O ATOM 0 H GLY A 329 -11.739 7.780 -3.837 1.00 0.45 H new ATOM 0 HA2 GLY A 329 -12.569 7.846 -6.379 1.00 0.44 H new ATOM 0 HA3 GLY A 329 -10.883 8.281 -6.581 1.00 0.44 H new ATOM 1225 N PRO A 330 -11.217 5.558 -6.926 1.00 0.40 N ATOM 1226 CA PRO A 330 -10.853 4.136 -6.929 1.00 0.39 C ATOM 1227 C PRO A 330 -9.365 3.922 -6.661 1.00 0.36 C ATOM 1228 O PRO A 330 -8.514 4.624 -7.218 1.00 0.56 O ATOM 1229 CB PRO A 330 -11.212 3.678 -8.345 1.00 0.47 C ATOM 1230 CG PRO A 330 -11.178 4.912 -9.174 1.00 0.58 C ATOM 1231 CD PRO A 330 -11.599 6.036 -8.269 1.00 0.52 C ATOM 0 HA PRO A 330 -11.369 3.581 -6.145 1.00 0.39 H new ATOM 0 HB2 PRO A 330 -10.501 2.938 -8.712 1.00 0.47 H new ATOM 0 HB3 PRO A 330 -12.198 3.213 -8.371 1.00 0.47 H new ATOM 0 HG2 PRO A 330 -10.178 5.086 -9.572 1.00 0.58 H new ATOM 0 HG3 PRO A 330 -11.851 4.826 -10.027 1.00 0.58 H new ATOM 0 HD2 PRO A 330 -11.092 6.967 -8.523 1.00 0.52 H new ATOM 0 HD3 PRO A 330 -12.670 6.227 -8.338 1.00 0.52 H new ATOM 1239 N ILE A 331 -9.052 2.956 -5.811 1.00 0.27 N ATOM 1240 CA ILE A 331 -7.667 2.664 -5.480 1.00 0.25 C ATOM 1241 C ILE A 331 -7.288 1.259 -5.935 1.00 0.25 C ATOM 1242 O ILE A 331 -7.990 0.287 -5.653 1.00 0.30 O ATOM 1243 CB ILE A 331 -7.398 2.816 -3.964 1.00 0.29 C ATOM 1244 CG1 ILE A 331 -7.642 4.266 -3.526 1.00 0.31 C ATOM 1245 CG2 ILE A 331 -5.976 2.391 -3.623 1.00 0.37 C ATOM 1246 CD1 ILE A 331 -7.457 4.501 -2.040 1.00 0.35 C ATOM 0 H ILE A 331 -9.736 2.363 -5.340 1.00 0.27 H new ATOM 0 HA ILE A 331 -7.049 3.389 -6.009 1.00 0.25 H new ATOM 0 HB ILE A 331 -8.087 2.165 -3.425 1.00 0.29 H new ATOM 0 HG12 ILE A 331 -6.963 4.919 -4.074 1.00 0.31 H new ATOM 0 HG13 ILE A 331 -8.656 4.553 -3.805 1.00 0.31 H new ATOM 0 HG21 ILE A 331 -5.809 2.506 -2.552 1.00 0.37 H new ATOM 0 HG22 ILE A 331 -5.831 1.348 -3.903 1.00 0.37 H new ATOM 0 HG23 ILE A 331 -5.269 3.015 -4.170 1.00 0.37 H new ATOM 0 HD11 ILE A 331 -7.647 5.550 -1.811 1.00 0.35 H new ATOM 0 HD12 ILE A 331 -8.155 3.875 -1.483 1.00 0.35 H new ATOM 0 HD13 ILE A 331 -6.436 4.247 -1.756 1.00 0.35 H new ATOM 1258 N SER A 332 -6.177 1.175 -6.647 1.00 0.28 N ATOM 1259 CA SER A 332 -5.671 -0.088 -7.155 1.00 0.31 C ATOM 1260 C SER A 332 -4.287 -0.351 -6.571 1.00 0.27 C ATOM 1261 O SER A 332 -3.399 0.502 -6.661 1.00 0.31 O ATOM 1262 CB SER A 332 -5.615 -0.050 -8.686 1.00 0.41 C ATOM 1263 OG SER A 332 -5.651 1.287 -9.172 1.00 1.09 O ATOM 0 H SER A 332 -5.601 1.981 -6.889 1.00 0.28 H new ATOM 0 HA SER A 332 -6.338 -0.897 -6.857 1.00 0.31 H new ATOM 0 HB2 SER A 332 -4.705 -0.540 -9.031 1.00 0.41 H new ATOM 0 HB3 SER A 332 -6.454 -0.611 -9.097 1.00 0.41 H new ATOM 0 HG SER A 332 -5.275 1.890 -8.498 1.00 1.09 H new ATOM 1269 N LEU A 333 -4.106 -1.517 -5.969 1.00 0.27 N ATOM 1270 CA LEU A 333 -2.832 -1.863 -5.357 1.00 0.26 C ATOM 1271 C LEU A 333 -2.184 -3.055 -6.048 1.00 0.26 C ATOM 1272 O LEU A 333 -2.731 -4.160 -6.046 1.00 0.30 O ATOM 1273 CB LEU A 333 -3.025 -2.182 -3.870 1.00 0.29 C ATOM 1274 CG LEU A 333 -3.637 -1.063 -3.026 1.00 0.27 C ATOM 1275 CD1 LEU A 333 -3.867 -1.542 -1.601 1.00 0.48 C ATOM 1276 CD2 LEU A 333 -2.745 0.167 -3.038 1.00 0.39 C ATOM 0 H LEU A 333 -4.823 -2.238 -5.891 1.00 0.27 H new ATOM 0 HA LEU A 333 -2.173 -1.001 -5.466 1.00 0.26 H new ATOM 0 HB2 LEU A 333 -3.660 -3.064 -3.786 1.00 0.29 H new ATOM 0 HB3 LEU A 333 -2.056 -2.445 -3.445 1.00 0.29 H new ATOM 0 HG LEU A 333 -4.599 -0.790 -3.460 1.00 0.27 H new ATOM 0 HD11 LEU A 333 -4.303 -0.735 -1.012 1.00 0.48 H new ATOM 0 HD12 LEU A 333 -4.547 -2.394 -1.609 1.00 0.48 H new ATOM 0 HD13 LEU A 333 -2.916 -1.841 -1.160 1.00 0.48 H new ATOM 0 HD21 LEU A 333 -3.198 0.951 -2.432 1.00 0.39 H new ATOM 0 HD22 LEU A 333 -1.768 -0.088 -2.629 1.00 0.39 H new ATOM 0 HD23 LEU A 333 -2.628 0.522 -4.062 1.00 0.39 H new ATOM 1288 N THR A 334 -1.032 -2.817 -6.655 1.00 0.24 N ATOM 1289 CA THR A 334 -0.278 -3.869 -7.309 1.00 0.26 C ATOM 1290 C THR A 334 0.739 -4.428 -6.317 1.00 0.26 C ATOM 1291 O THR A 334 1.862 -3.927 -6.204 1.00 0.28 O ATOM 1292 CB THR A 334 0.449 -3.341 -8.561 1.00 0.31 C ATOM 1293 OG1 THR A 334 -0.408 -2.443 -9.284 1.00 0.50 O ATOM 1294 CG2 THR A 334 0.865 -4.487 -9.471 1.00 0.42 C ATOM 0 H THR A 334 -0.598 -1.895 -6.707 1.00 0.24 H new ATOM 0 HA THR A 334 -0.966 -4.651 -7.630 1.00 0.26 H new ATOM 0 HB THR A 334 1.344 -2.811 -8.236 1.00 0.31 H new ATOM 0 HG1 THR A 334 -0.427 -1.574 -8.832 1.00 0.50 H new ATOM 0 HG21 THR A 334 1.376 -4.089 -10.347 1.00 0.42 H new ATOM 0 HG22 THR A 334 1.537 -5.155 -8.931 1.00 0.42 H new ATOM 0 HG23 THR A 334 -0.019 -5.040 -9.787 1.00 0.42 H new ATOM 1302 N VAL A 335 0.325 -5.445 -5.574 1.00 0.26 N ATOM 1303 CA VAL A 335 1.180 -6.050 -4.563 1.00 0.28 C ATOM 1304 C VAL A 335 1.973 -7.224 -5.116 1.00 0.28 C ATOM 1305 O VAL A 335 1.507 -7.954 -5.996 1.00 0.32 O ATOM 1306 CB VAL A 335 0.371 -6.519 -3.332 1.00 0.30 C ATOM 1307 CG1 VAL A 335 -0.135 -5.324 -2.538 1.00 0.33 C ATOM 1308 CG2 VAL A 335 -0.789 -7.420 -3.746 1.00 0.31 C ATOM 0 H VAL A 335 -0.599 -5.869 -5.653 1.00 0.26 H new ATOM 0 HA VAL A 335 1.876 -5.270 -4.254 1.00 0.28 H new ATOM 0 HB VAL A 335 1.036 -7.101 -2.694 1.00 0.30 H new ATOM 0 HG11 VAL A 335 -0.702 -5.674 -1.675 1.00 0.33 H new ATOM 0 HG12 VAL A 335 0.712 -4.728 -2.198 1.00 0.33 H new ATOM 0 HG13 VAL A 335 -0.778 -4.712 -3.171 1.00 0.33 H new ATOM 0 HG21 VAL A 335 -1.340 -7.734 -2.860 1.00 0.31 H new ATOM 0 HG22 VAL A 335 -1.455 -6.872 -4.412 1.00 0.31 H new ATOM 0 HG23 VAL A 335 -0.401 -8.298 -4.263 1.00 0.31 H new ATOM 1318 N ALA A 336 3.180 -7.387 -4.597 1.00 0.28 N ATOM 1319 CA ALA A 336 4.059 -8.469 -5.005 1.00 0.31 C ATOM 1320 C ALA A 336 4.216 -9.467 -3.871 1.00 0.33 C ATOM 1321 O ALA A 336 4.860 -9.182 -2.859 1.00 0.38 O ATOM 1322 CB ALA A 336 5.417 -7.931 -5.423 1.00 0.34 C ATOM 0 H ALA A 336 3.576 -6.775 -3.884 1.00 0.28 H new ATOM 0 HA ALA A 336 3.612 -8.973 -5.862 1.00 0.31 H new ATOM 0 HB1 ALA A 336 6.059 -8.759 -5.725 1.00 0.34 H new ATOM 0 HB2 ALA A 336 5.294 -7.243 -6.260 1.00 0.34 H new ATOM 0 HB3 ALA A 336 5.873 -7.404 -4.585 1.00 0.34 H new ATOM 1328 N LYS A 337 3.603 -10.623 -4.036 1.00 0.36 N ATOM 1329 CA LYS A 337 3.666 -11.674 -3.040 1.00 0.40 C ATOM 1330 C LYS A 337 4.750 -12.675 -3.418 1.00 0.47 C ATOM 1331 O LYS A 337 4.596 -13.355 -4.453 1.00 0.60 O ATOM 1332 CB LYS A 337 2.307 -12.372 -2.926 1.00 0.41 C ATOM 1333 CG LYS A 337 1.134 -11.404 -2.836 1.00 0.37 C ATOM 1334 CD LYS A 337 -0.204 -12.120 -2.960 1.00 0.41 C ATOM 1335 CE LYS A 337 -0.508 -12.970 -1.737 1.00 0.39 C ATOM 1336 NZ LYS A 337 -0.833 -12.138 -0.549 1.00 0.38 N ATOM 1337 OXT LYS A 337 5.760 -12.769 -2.691 1.00 0.70 O ATOM 0 H LYS A 337 3.050 -10.859 -4.860 1.00 0.36 H new ATOM 0 HA LYS A 337 3.912 -11.238 -2.072 1.00 0.40 H new ATOM 0 HB2 LYS A 337 2.167 -13.021 -3.790 1.00 0.41 H new ATOM 0 HB3 LYS A 337 2.309 -13.012 -2.044 1.00 0.41 H new ATOM 0 HG2 LYS A 337 1.174 -10.872 -1.885 1.00 0.37 H new ATOM 0 HG3 LYS A 337 1.220 -10.656 -3.624 1.00 0.37 H new ATOM 0 HD2 LYS A 337 -0.997 -11.385 -3.098 1.00 0.41 H new ATOM 0 HD3 LYS A 337 -0.197 -12.752 -3.848 1.00 0.41 H new ATOM 0 HE2 LYS A 337 -1.345 -13.633 -1.955 1.00 0.39 H new ATOM 0 HE3 LYS A 337 0.350 -13.603 -1.513 1.00 0.39 H new ATOM 0 HZ1 LYS A 337 -1.181 -12.749 0.218 1.00 0.38 H new ATOM 0 HZ2 LYS A 337 0.021 -11.637 -0.232 1.00 0.38 H new ATOM 0 HZ3 LYS A 337 -1.567 -11.446 -0.800 1.00 0.38 H new TER 1351 LYS A 337 HETATM 1352 C1 PHQ B 1 1.977 4.433 7.699 1.00 0.19 C HETATM 1353 O1 PHQ B 1 1.992 3.218 7.892 1.00 0.22 O HETATM 1354 O2 PHQ B 1 3.273 5.189 7.427 1.00 0.26 O HETATM 1355 C2 PHQ B 1 4.433 4.223 7.218 1.00 0.31 C HETATM 1356 C3 PHQ B 1 5.768 4.895 6.995 1.00 0.38 C HETATM 1357 C4 PHQ B 1 6.936 4.116 6.885 1.00 1.30 C HETATM 1358 C5 PHQ B 1 8.145 4.717 6.490 1.00 1.42 C HETATM 1359 C6 PHQ B 1 8.199 6.105 6.266 1.00 0.84 C HETATM 1360 C7 PHQ B 1 7.049 6.893 6.463 1.00 1.38 C HETATM 1361 C8 PHQ B 1 5.851 6.294 6.889 1.00 1.29 C HETATM 0 H81 PHQ B 1 4.989 6.913 7.137 1.00 1.29 H new HETATM 0 H71 PHQ B 1 7.088 7.968 6.285 1.00 1.38 H new HETATM 0 H61 PHQ B 1 9.130 6.570 5.940 1.00 0.84 H new HETATM 0 H51 PHQ B 1 9.039 4.108 6.358 1.00 1.42 H new HETATM 0 H41 PHQ B 1 6.903 3.049 7.106 1.00 1.30 H new HETATM 0 H22 PHQ B 1 4.508 3.570 8.088 1.00 0.31 H new HETATM 0 H21 PHQ B 1 4.211 3.587 6.361 1.00 0.31 H new ATOM 1369 N TRP B 2 0.826 5.094 7.725 1.00 0.14 N ATOM 1370 CA TRP B 2 -0.456 4.437 7.983 1.00 0.13 C ATOM 1371 C TRP B 2 -1.536 5.043 7.097 1.00 0.14 C ATOM 1372 O TRP B 2 -1.630 6.267 6.983 1.00 0.23 O ATOM 1373 CB TRP B 2 -0.858 4.604 9.454 1.00 0.19 C ATOM 1374 CG TRP B 2 -0.341 3.539 10.378 1.00 0.21 C ATOM 1375 CD1 TRP B 2 0.945 3.371 10.808 1.00 0.30 C ATOM 1376 CD2 TRP B 2 -1.111 2.510 11.015 1.00 0.24 C ATOM 1377 NE1 TRP B 2 1.023 2.292 11.658 1.00 0.32 N ATOM 1378 CE2 TRP B 2 -0.226 1.749 11.802 1.00 0.28 C ATOM 1379 CE3 TRP B 2 -2.462 2.156 10.989 1.00 0.32 C ATOM 1380 CZ2 TRP B 2 -0.650 0.661 12.563 1.00 0.33 C ATOM 1381 CZ3 TRP B 2 -2.880 1.077 11.745 1.00 0.40 C ATOM 1382 CH2 TRP B 2 -1.978 0.340 12.518 1.00 0.39 C ATOM 0 HA TRP B 2 -0.350 3.375 7.760 1.00 0.13 H new ATOM 0 HB2 TRP B 2 -0.502 5.573 9.805 1.00 0.19 H new ATOM 0 HB3 TRP B 2 -1.946 4.623 9.518 1.00 0.19 H new ATOM 0 HD1 TRP B 2 1.779 3.995 10.522 1.00 0.30 H new ATOM 0 HE1 TRP B 2 1.873 1.952 12.108 1.00 0.32 H new ATOM 0 HE3 TRP B 2 -3.166 2.714 10.390 1.00 0.32 H new ATOM 0 HZ2 TRP B 2 0.044 0.093 13.165 1.00 0.33 H new ATOM 0 HZ3 TRP B 2 -3.923 0.798 11.738 1.00 0.40 H new ATOM 0 HH2 TRP B 2 -2.338 -0.501 13.092 1.00 0.39 H new ATOM 1393 N VAL B 3 -2.325 4.199 6.450 1.00 0.09 N ATOM 1394 CA VAL B 3 -3.409 4.676 5.601 1.00 0.11 C ATOM 1395 C VAL B 3 -4.546 3.676 5.595 1.00 0.14 C ATOM 1396 O VAL B 3 -5.679 4.056 5.241 1.00 0.24 O ATOM 1397 CB VAL B 3 -2.979 4.961 4.145 1.00 0.14 C ATOM 1398 CG1 VAL B 3 -2.670 6.436 3.963 1.00 0.21 C ATOM 1399 CG2 VAL B 3 -1.791 4.103 3.720 1.00 0.11 C ATOM 1400 OXT VAL B 3 -4.301 2.516 5.972 1.00 0.27 O ATOM 0 H VAL B 3 -2.237 3.184 6.495 1.00 0.09 H new ATOM 0 HA VAL B 3 -3.730 5.625 6.031 1.00 0.11 H new ATOM 0 HB VAL B 3 -3.815 4.694 3.499 1.00 0.14 H new ATOM 0 HG11 VAL B 3 -2.369 6.620 2.932 1.00 0.21 H new ATOM 0 HG12 VAL B 3 -3.558 7.025 4.192 1.00 0.21 H new ATOM 0 HG13 VAL B 3 -1.861 6.724 4.634 1.00 0.21 H new ATOM 0 HG21 VAL B 3 -1.523 4.337 2.690 1.00 0.11 H new ATOM 0 HG22 VAL B 3 -0.942 4.309 4.371 1.00 0.11 H new ATOM 0 HG23 VAL B 3 -2.058 3.049 3.795 1.00 0.11 H new TER 1410 VAL B 3