USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=15 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 265 SER OG : rot -148:sc= 0.963 USER MOD Set 1.2: A 282 SER OG : rot 180:sc= 0.169 USER MOD Set 1.3: A 284 MET CE :methyl 130:sc= -0.152 (180deg=-0.577) USER MOD Single : A 248 ASN : amide:sc= -0.0273 K(o=-0.027,f=-1.9) USER MOD Single : A 251 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 253 THR OG1 : rot 180:sc= 0 USER MOD Single : A 255 ASN : amide:sc= -0.489 K(o=-0.49,f=-8.3!) USER MOD Single : A 256 MET CE :methyl -170:sc= 0 (180deg=-0.131) USER MOD Single : A 259 HIS : no HD1:sc= -0.0931 X(o=-0.093,f=0) USER MOD Single : A 260 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 269 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.69) USER MOD Single : A 279 TYR OH : rot -112:sc= 0.0855 USER MOD Single : A 285 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 300 MET CE :methyl -132:sc= -0.879 (180deg=-3.2!) USER MOD Single : A 303 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.23) USER MOD Single : A 305 ASN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 308 ASN : amide:sc= 0.0945 K(o=0.094,f=-5.2!) USER MOD Single : A 311 ASN : amide:sc= -0.34 K(o=-0.34,f=-1.9!) USER MOD Single : A 312 MET CE :methyl 156:sc= -0.155 (180deg=-1.07) USER MOD Single : A 313 SER OG : rot 113:sc= 1.37 USER MOD Single : A 314 ASN : amide:sc= 0.785 K(o=0.78,f=-0.19) USER MOD Single : A 326 SER OG : rot 95:sc= 1.3 USER MOD Single : A 327 GLN : amide:sc= -0.452 K(o=-0.45,f=-0.99) USER MOD Single : A 328 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 332 SER OG : rot -31:sc= 0.493 USER MOD Single : A 334 THR OG1 : rot 77:sc= 1.19 USER MOD Single : A 337 LYS NZ :NH3+ 167:sc= 1.18 (180deg=0.881) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 248 4.173 -13.551 -7.133 1.00 0.52 N ATOM 2 CA ASN A 248 2.853 -13.399 -7.785 1.00 0.49 C ATOM 3 C ASN A 248 2.369 -11.963 -7.666 1.00 0.44 C ATOM 4 O ASN A 248 2.008 -11.506 -6.582 1.00 0.47 O ATOM 5 CB ASN A 248 1.824 -14.341 -7.151 1.00 0.57 C ATOM 6 CG ASN A 248 0.624 -14.580 -8.054 1.00 0.70 C ATOM 7 OD1 ASN A 248 0.382 -13.834 -9.005 1.00 0.99 O ATOM 8 ND2 ASN A 248 -0.139 -15.621 -7.764 1.00 1.26 N ATOM 0 HA ASN A 248 2.964 -13.656 -8.839 1.00 0.49 H new ATOM 0 HB2 ASN A 248 2.300 -15.295 -6.924 1.00 0.57 H new ATOM 0 HB3 ASN A 248 1.485 -13.920 -6.204 1.00 0.57 H new ATOM 0 HD21 ASN A 248 -0.958 -15.828 -8.335 1.00 1.26 H new ATOM 0 HD22 ASN A 248 0.092 -16.217 -6.969 1.00 1.26 H new ATOM 17 N ILE A 249 2.370 -11.253 -8.778 1.00 0.45 N ATOM 18 CA ILE A 249 1.930 -9.870 -8.793 1.00 0.43 C ATOM 19 C ILE A 249 0.434 -9.795 -9.081 1.00 0.42 C ATOM 20 O ILE A 249 -0.019 -10.126 -10.179 1.00 0.50 O ATOM 21 CB ILE A 249 2.710 -9.042 -9.834 1.00 0.47 C ATOM 22 CG1 ILE A 249 4.211 -9.115 -9.541 1.00 0.54 C ATOM 23 CG2 ILE A 249 2.230 -7.596 -9.826 1.00 0.50 C ATOM 24 CD1 ILE A 249 5.060 -8.310 -10.500 1.00 0.65 C ATOM 0 H ILE A 249 2.671 -11.611 -9.684 1.00 0.45 H new ATOM 0 HA ILE A 249 2.128 -9.447 -7.808 1.00 0.43 H new ATOM 0 HB ILE A 249 2.529 -9.457 -10.826 1.00 0.47 H new ATOM 0 HG12 ILE A 249 4.391 -8.761 -8.526 1.00 0.54 H new ATOM 0 HG13 ILE A 249 4.528 -10.157 -9.576 1.00 0.54 H new ATOM 0 HG21 ILE A 249 2.789 -7.023 -10.566 1.00 0.50 H new ATOM 0 HG22 ILE A 249 1.168 -7.564 -10.069 1.00 0.50 H new ATOM 0 HG23 ILE A 249 2.389 -7.165 -8.837 1.00 0.50 H new ATOM 0 HD11 ILE A 249 6.111 -8.411 -10.228 1.00 0.65 H new ATOM 0 HD12 ILE A 249 4.911 -8.678 -11.515 1.00 0.65 H new ATOM 0 HD13 ILE A 249 4.771 -7.260 -10.448 1.00 0.65 H new ATOM 36 N ILE A 250 -0.328 -9.381 -8.081 1.00 0.39 N ATOM 37 CA ILE A 250 -1.773 -9.266 -8.214 1.00 0.41 C ATOM 38 C ILE A 250 -2.213 -7.820 -8.008 1.00 0.37 C ATOM 39 O ILE A 250 -1.833 -7.180 -7.026 1.00 0.36 O ATOM 40 CB ILE A 250 -2.510 -10.180 -7.204 1.00 0.44 C ATOM 41 CG1 ILE A 250 -2.147 -11.649 -7.449 1.00 0.48 C ATOM 42 CG2 ILE A 250 -4.018 -9.983 -7.294 1.00 0.55 C ATOM 43 CD1 ILE A 250 -2.799 -12.612 -6.480 1.00 0.54 C ATOM 0 H ILE A 250 0.032 -9.118 -7.164 1.00 0.39 H new ATOM 0 HA ILE A 250 -2.035 -9.586 -9.222 1.00 0.41 H new ATOM 0 HB ILE A 250 -2.190 -9.904 -6.199 1.00 0.44 H new ATOM 0 HG12 ILE A 250 -2.436 -11.920 -8.465 1.00 0.48 H new ATOM 0 HG13 ILE A 250 -1.065 -11.761 -7.385 1.00 0.48 H new ATOM 0 HG21 ILE A 250 -4.514 -10.636 -6.575 1.00 0.55 H new ATOM 0 HG22 ILE A 250 -4.263 -8.945 -7.071 1.00 0.55 H new ATOM 0 HG23 ILE A 250 -4.357 -10.228 -8.300 1.00 0.55 H new ATOM 0 HD11 ILE A 250 -2.493 -13.631 -6.718 1.00 0.54 H new ATOM 0 HD12 ILE A 250 -2.491 -12.369 -5.463 1.00 0.54 H new ATOM 0 HD13 ILE A 250 -3.883 -12.530 -6.560 1.00 0.54 H new ATOM 55 N THR A 251 -2.992 -7.306 -8.945 1.00 0.40 N ATOM 56 CA THR A 251 -3.492 -5.948 -8.857 1.00 0.39 C ATOM 57 C THR A 251 -4.916 -5.955 -8.321 1.00 0.40 C ATOM 58 O THR A 251 -5.831 -6.449 -8.977 1.00 0.48 O ATOM 59 CB THR A 251 -3.464 -5.250 -10.228 1.00 0.46 C ATOM 60 OG1 THR A 251 -2.293 -5.648 -10.956 1.00 0.59 O ATOM 61 CG2 THR A 251 -3.474 -3.738 -10.063 1.00 0.47 C ATOM 0 H THR A 251 -3.292 -7.813 -9.778 1.00 0.40 H new ATOM 0 HA THR A 251 -2.843 -5.395 -8.178 1.00 0.39 H new ATOM 0 HB THR A 251 -4.355 -5.546 -10.782 1.00 0.46 H new ATOM 0 HG1 THR A 251 -2.283 -5.201 -11.828 1.00 0.59 H new ATOM 0 HG21 THR A 251 -3.454 -3.265 -11.045 1.00 0.47 H new ATOM 0 HG22 THR A 251 -4.377 -3.436 -9.533 1.00 0.47 H new ATOM 0 HG23 THR A 251 -2.598 -3.428 -9.493 1.00 0.47 H new ATOM 69 N VAL A 252 -5.095 -5.434 -7.121 1.00 0.36 N ATOM 70 CA VAL A 252 -6.411 -5.392 -6.508 1.00 0.38 C ATOM 71 C VAL A 252 -7.024 -4.001 -6.643 1.00 0.35 C ATOM 72 O VAL A 252 -6.326 -3.030 -6.936 1.00 0.39 O ATOM 73 CB VAL A 252 -6.360 -5.793 -5.014 1.00 0.41 C ATOM 74 CG1 VAL A 252 -5.601 -7.100 -4.834 1.00 0.50 C ATOM 75 CG2 VAL A 252 -5.736 -4.689 -4.172 1.00 0.40 C ATOM 0 H VAL A 252 -4.348 -5.035 -6.552 1.00 0.36 H new ATOM 0 HA VAL A 252 -7.034 -6.115 -7.035 1.00 0.38 H new ATOM 0 HB VAL A 252 -7.384 -5.940 -4.670 1.00 0.41 H new ATOM 0 HG11 VAL A 252 -5.577 -7.364 -3.777 1.00 0.50 H new ATOM 0 HG12 VAL A 252 -6.100 -7.891 -5.394 1.00 0.50 H new ATOM 0 HG13 VAL A 252 -4.582 -6.983 -5.202 1.00 0.50 H new ATOM 0 HG21 VAL A 252 -5.713 -4.998 -3.127 1.00 0.40 H new ATOM 0 HG22 VAL A 252 -4.720 -4.499 -4.517 1.00 0.40 H new ATOM 0 HG23 VAL A 252 -6.328 -3.779 -4.269 1.00 0.40 H new ATOM 85 N THR A 253 -8.325 -3.912 -6.441 1.00 0.39 N ATOM 86 CA THR A 253 -9.022 -2.643 -6.524 1.00 0.40 C ATOM 87 C THR A 253 -9.904 -2.471 -5.293 1.00 0.39 C ATOM 88 O THR A 253 -10.583 -3.412 -4.862 1.00 0.54 O ATOM 89 CB THR A 253 -9.856 -2.528 -7.826 1.00 0.50 C ATOM 90 OG1 THR A 253 -10.367 -1.196 -7.978 1.00 0.76 O ATOM 91 CG2 THR A 253 -11.007 -3.525 -7.846 1.00 0.79 C ATOM 0 H THR A 253 -8.923 -4.708 -6.217 1.00 0.39 H new ATOM 0 HA THR A 253 -8.282 -1.843 -6.553 1.00 0.40 H new ATOM 0 HB THR A 253 -9.192 -2.759 -8.659 1.00 0.50 H new ATOM 0 HG1 THR A 253 -10.890 -1.139 -8.805 1.00 0.76 H new ATOM 0 HG21 THR A 253 -11.568 -3.414 -8.774 1.00 0.79 H new ATOM 0 HG22 THR A 253 -10.612 -4.539 -7.780 1.00 0.79 H new ATOM 0 HG23 THR A 253 -11.666 -3.337 -6.998 1.00 0.79 H new ATOM 99 N LEU A 254 -9.861 -1.290 -4.703 1.00 0.33 N ATOM 100 CA LEU A 254 -10.642 -1.013 -3.511 1.00 0.35 C ATOM 101 C LEU A 254 -11.583 0.166 -3.715 1.00 0.35 C ATOM 102 O LEU A 254 -11.201 1.198 -4.282 1.00 0.37 O ATOM 103 CB LEU A 254 -9.711 -0.733 -2.330 1.00 0.36 C ATOM 104 CG LEU A 254 -8.692 -1.834 -2.031 1.00 0.39 C ATOM 105 CD1 LEU A 254 -7.769 -1.413 -0.904 1.00 0.46 C ATOM 106 CD2 LEU A 254 -9.394 -3.135 -1.678 1.00 0.45 C ATOM 0 H LEU A 254 -9.294 -0.508 -5.030 1.00 0.33 H new ATOM 0 HA LEU A 254 -11.249 -1.894 -3.301 1.00 0.35 H new ATOM 0 HB2 LEU A 254 -9.173 0.195 -2.524 1.00 0.36 H new ATOM 0 HB3 LEU A 254 -10.318 -0.570 -1.440 1.00 0.36 H new ATOM 0 HG LEU A 254 -8.095 -1.997 -2.928 1.00 0.39 H new ATOM 0 HD11 LEU A 254 -7.051 -2.209 -0.705 1.00 0.46 H new ATOM 0 HD12 LEU A 254 -7.236 -0.506 -1.190 1.00 0.46 H new ATOM 0 HD13 LEU A 254 -8.356 -1.221 -0.006 1.00 0.46 H new ATOM 0 HD21 LEU A 254 -8.651 -3.904 -1.469 1.00 0.45 H new ATOM 0 HD22 LEU A 254 -10.018 -2.984 -0.797 1.00 0.45 H new ATOM 0 HD23 LEU A 254 -10.018 -3.451 -2.514 1.00 0.45 H new ATOM 118 N ASN A 255 -12.814 -0.002 -3.256 1.00 0.40 N ATOM 119 CA ASN A 255 -13.829 1.034 -3.363 1.00 0.44 C ATOM 120 C ASN A 255 -13.713 2.000 -2.189 1.00 0.40 C ATOM 121 O ASN A 255 -13.927 1.623 -1.035 1.00 0.39 O ATOM 122 CB ASN A 255 -15.226 0.403 -3.399 1.00 0.50 C ATOM 123 CG ASN A 255 -16.339 1.426 -3.265 1.00 0.55 C ATOM 124 OD1 ASN A 255 -16.810 1.712 -2.161 1.00 0.52 O ATOM 125 ND2 ASN A 255 -16.762 1.986 -4.386 1.00 0.65 N ATOM 0 H ASN A 255 -13.136 -0.856 -2.801 1.00 0.40 H new ATOM 0 HA ASN A 255 -13.674 1.588 -4.289 1.00 0.44 H new ATOM 0 HB2 ASN A 255 -15.350 -0.141 -4.336 1.00 0.50 H new ATOM 0 HB3 ASN A 255 -15.311 -0.326 -2.593 1.00 0.50 H new ATOM 0 HD21 ASN A 255 -17.506 2.684 -4.359 1.00 0.65 H new ATOM 0 HD22 ASN A 255 -16.345 1.720 -5.278 1.00 0.65 H new ATOM 132 N MET A 256 -13.386 3.249 -2.484 1.00 0.41 N ATOM 133 CA MET A 256 -13.226 4.254 -1.441 1.00 0.41 C ATOM 134 C MET A 256 -14.502 5.067 -1.254 1.00 0.44 C ATOM 135 O MET A 256 -14.455 6.254 -0.921 1.00 0.49 O ATOM 136 CB MET A 256 -12.047 5.172 -1.769 1.00 0.43 C ATOM 137 CG MET A 256 -10.709 4.451 -1.776 1.00 0.45 C ATOM 138 SD MET A 256 -10.270 3.770 -0.165 1.00 0.56 S ATOM 139 CE MET A 256 -9.829 5.264 0.720 1.00 0.63 C ATOM 0 H MET A 256 -13.227 3.591 -3.432 1.00 0.41 H new ATOM 0 HA MET A 256 -13.021 3.738 -0.503 1.00 0.41 H new ATOM 0 HB2 MET A 256 -12.211 5.628 -2.745 1.00 0.43 H new ATOM 0 HB3 MET A 256 -12.012 5.982 -1.040 1.00 0.43 H new ATOM 0 HG2 MET A 256 -10.740 3.645 -2.509 1.00 0.45 H new ATOM 0 HG3 MET A 256 -9.931 5.143 -2.096 1.00 0.45 H new ATOM 0 HE1 MET A 256 -9.367 5.000 1.671 1.00 0.63 H new ATOM 0 HE2 MET A 256 -9.126 5.846 0.124 1.00 0.63 H new ATOM 0 HE3 MET A 256 -10.726 5.856 0.904 1.00 0.63 H new ATOM 149 N GLU A 257 -15.638 4.423 -1.480 1.00 0.46 N ATOM 150 CA GLU A 257 -16.933 5.067 -1.315 1.00 0.51 C ATOM 151 C GLU A 257 -17.567 4.616 -0.009 1.00 0.49 C ATOM 152 O GLU A 257 -17.942 5.436 0.827 1.00 0.56 O ATOM 153 CB GLU A 257 -17.855 4.739 -2.491 1.00 0.56 C ATOM 154 CG GLU A 257 -17.526 5.521 -3.751 1.00 0.67 C ATOM 155 CD GLU A 257 -17.951 6.971 -3.662 1.00 0.86 C ATOM 156 OE1 GLU A 257 -19.111 7.274 -4.011 1.00 1.23 O ATOM 157 OE2 GLU A 257 -17.129 7.815 -3.250 1.00 1.27 O ATOM 0 H GLU A 257 -15.689 3.449 -1.780 1.00 0.46 H new ATOM 0 HA GLU A 257 -16.786 6.147 -1.289 1.00 0.51 H new ATOM 0 HB2 GLU A 257 -17.791 3.673 -2.707 1.00 0.56 H new ATOM 0 HB3 GLU A 257 -18.886 4.945 -2.203 1.00 0.56 H new ATOM 0 HG2 GLU A 257 -16.453 5.471 -3.936 1.00 0.67 H new ATOM 0 HG3 GLU A 257 -18.018 5.053 -4.604 1.00 0.67 H new ATOM 164 N ARG A 258 -17.673 3.302 0.165 1.00 0.45 N ATOM 165 CA ARG A 258 -18.243 2.741 1.382 1.00 0.45 C ATOM 166 C ARG A 258 -17.280 2.964 2.545 1.00 0.43 C ATOM 167 O ARG A 258 -17.690 3.304 3.653 1.00 0.63 O ATOM 168 CB ARG A 258 -18.527 1.245 1.213 1.00 0.48 C ATOM 169 CG ARG A 258 -19.332 0.657 2.362 1.00 0.56 C ATOM 170 CD ARG A 258 -19.211 -0.857 2.430 1.00 0.64 C ATOM 171 NE ARG A 258 -19.805 -1.386 3.658 1.00 0.75 N ATOM 172 CZ ARG A 258 -19.313 -2.411 4.353 1.00 0.86 C ATOM 173 NH1 ARG A 258 -18.246 -3.070 3.918 1.00 1.01 N ATOM 174 NH2 ARG A 258 -19.899 -2.786 5.482 1.00 1.06 N ATOM 0 H ARG A 258 -17.372 2.609 -0.520 1.00 0.45 H new ATOM 0 HA ARG A 258 -19.188 3.243 1.590 1.00 0.45 H new ATOM 0 HB2 ARG A 258 -19.068 1.087 0.280 1.00 0.48 H new ATOM 0 HB3 ARG A 258 -17.582 0.709 1.128 1.00 0.48 H new ATOM 0 HG2 ARG A 258 -18.990 1.090 3.302 1.00 0.56 H new ATOM 0 HG3 ARG A 258 -20.381 0.932 2.247 1.00 0.56 H new ATOM 0 HD2 ARG A 258 -19.703 -1.302 1.565 1.00 0.64 H new ATOM 0 HD3 ARG A 258 -18.160 -1.142 2.380 1.00 0.64 H new ATOM 0 HE ARG A 258 -20.654 -0.940 4.006 1.00 0.75 H new ATOM 0 HH11 ARG A 258 -17.796 -2.793 3.045 1.00 1.01 H new ATOM 0 HH12 ARG A 258 -17.876 -3.853 4.456 1.00 1.01 H new ATOM 0 HH21 ARG A 258 -20.725 -2.290 5.817 1.00 1.06 H new ATOM 0 HH22 ARG A 258 -19.524 -3.570 6.015 1.00 1.06 H new ATOM 188 N HIS A 259 -15.998 2.770 2.269 1.00 0.37 N ATOM 189 CA HIS A 259 -14.951 2.963 3.263 1.00 0.35 C ATOM 190 C HIS A 259 -14.188 4.232 2.926 1.00 0.40 C ATOM 191 O HIS A 259 -14.202 4.672 1.779 1.00 0.63 O ATOM 192 CB HIS A 259 -13.993 1.767 3.288 1.00 0.38 C ATOM 193 CG HIS A 259 -14.577 0.534 3.911 1.00 0.46 C ATOM 194 ND1 HIS A 259 -14.598 -0.694 3.285 1.00 0.61 N ATOM 195 CD2 HIS A 259 -15.156 0.345 5.120 1.00 0.58 C ATOM 196 CE1 HIS A 259 -15.161 -1.583 4.081 1.00 0.76 C ATOM 197 NE2 HIS A 259 -15.510 -0.980 5.201 1.00 0.75 N ATOM 0 H HIS A 259 -15.655 2.476 1.354 1.00 0.37 H new ATOM 0 HA HIS A 259 -15.405 3.049 4.250 1.00 0.35 H new ATOM 0 HB2 HIS A 259 -13.688 1.537 2.267 1.00 0.38 H new ATOM 0 HB3 HIS A 259 -13.092 2.047 3.834 1.00 0.38 H new ATOM 0 HD2 HIS A 259 -15.311 1.097 5.880 1.00 0.58 H new ATOM 0 HE1 HIS A 259 -15.311 -2.628 3.854 1.00 0.76 H new ATOM 0 HE2 HIS A 259 -15.968 -1.425 5.997 1.00 0.75 H new ATOM 206 N HIS A 260 -13.532 4.826 3.909 1.00 0.36 N ATOM 207 CA HIS A 260 -12.787 6.056 3.668 1.00 0.42 C ATOM 208 C HIS A 260 -11.323 5.928 4.078 1.00 0.35 C ATOM 209 O HIS A 260 -10.658 6.932 4.328 1.00 0.42 O ATOM 210 CB HIS A 260 -13.434 7.228 4.408 1.00 0.56 C ATOM 211 CG HIS A 260 -14.778 7.607 3.861 1.00 0.71 C ATOM 212 ND1 HIS A 260 -14.981 7.961 2.543 1.00 0.97 N ATOM 213 CD2 HIS A 260 -15.995 7.661 4.452 1.00 0.88 C ATOM 214 CE1 HIS A 260 -16.260 8.214 2.347 1.00 1.09 C ATOM 215 NE2 HIS A 260 -16.897 8.038 3.488 1.00 1.01 N ATOM 0 H HIS A 260 -13.498 4.485 4.870 1.00 0.36 H new ATOM 0 HA HIS A 260 -12.817 6.245 2.595 1.00 0.42 H new ATOM 0 HB2 HIS A 260 -13.538 6.970 5.462 1.00 0.56 H new ATOM 0 HB3 HIS A 260 -12.771 8.092 4.355 1.00 0.56 H new ATOM 0 HD2 HIS A 260 -16.215 7.448 5.488 1.00 0.88 H new ATOM 0 HE1 HIS A 260 -16.709 8.514 1.412 1.00 1.09 H new ATOM 0 HE2 HIS A 260 -17.899 8.162 3.631 1.00 1.01 H new ATOM 224 N PHE A 261 -10.822 4.699 4.135 1.00 0.30 N ATOM 225 CA PHE A 261 -9.429 4.459 4.503 1.00 0.25 C ATOM 226 C PHE A 261 -8.985 3.067 4.063 1.00 0.21 C ATOM 227 O PHE A 261 -9.817 2.179 3.840 1.00 0.22 O ATOM 228 CB PHE A 261 -9.207 4.650 6.016 1.00 0.28 C ATOM 229 CG PHE A 261 -10.054 3.774 6.900 1.00 0.32 C ATOM 230 CD1 PHE A 261 -11.370 4.111 7.175 1.00 0.52 C ATOM 231 CD2 PHE A 261 -9.527 2.628 7.469 1.00 0.36 C ATOM 232 CE1 PHE A 261 -12.145 3.315 7.998 1.00 0.62 C ATOM 233 CE2 PHE A 261 -10.296 1.832 8.293 1.00 0.44 C ATOM 234 CZ PHE A 261 -11.606 2.174 8.558 1.00 0.52 C ATOM 0 H PHE A 261 -11.357 3.855 3.932 1.00 0.30 H new ATOM 0 HA PHE A 261 -8.817 5.195 3.982 1.00 0.25 H new ATOM 0 HB2 PHE A 261 -8.157 4.460 6.241 1.00 0.28 H new ATOM 0 HB3 PHE A 261 -9.403 5.692 6.268 1.00 0.28 H new ATOM 0 HD1 PHE A 261 -11.794 5.005 6.742 1.00 0.52 H new ATOM 0 HD2 PHE A 261 -8.502 2.354 7.266 1.00 0.36 H new ATOM 0 HE1 PHE A 261 -13.170 3.585 8.202 1.00 0.62 H new ATOM 0 HE2 PHE A 261 -9.872 0.940 8.731 1.00 0.44 H new ATOM 0 HZ PHE A 261 -12.208 1.551 9.202 1.00 0.52 H new ATOM 244 N LEU A 262 -7.677 2.889 3.937 1.00 0.17 N ATOM 245 CA LEU A 262 -7.109 1.616 3.519 1.00 0.14 C ATOM 246 C LEU A 262 -7.146 0.631 4.679 1.00 0.12 C ATOM 247 O LEU A 262 -7.718 -0.456 4.567 1.00 0.14 O ATOM 248 CB LEU A 262 -5.668 1.813 3.019 1.00 0.14 C ATOM 249 CG LEU A 262 -5.525 2.258 1.560 1.00 0.19 C ATOM 250 CD1 LEU A 262 -4.134 1.937 1.044 1.00 0.23 C ATOM 251 CD2 LEU A 262 -6.576 1.602 0.678 1.00 0.34 C ATOM 0 H LEU A 262 -6.986 3.616 4.120 1.00 0.17 H new ATOM 0 HA LEU A 262 -7.701 1.213 2.698 1.00 0.14 H new ATOM 0 HB2 LEU A 262 -5.181 2.553 3.654 1.00 0.14 H new ATOM 0 HB3 LEU A 262 -5.127 0.876 3.148 1.00 0.14 H new ATOM 0 HG LEU A 262 -5.677 3.337 1.523 1.00 0.19 H new ATOM 0 HD11 LEU A 262 -4.048 2.259 0.006 1.00 0.23 H new ATOM 0 HD12 LEU A 262 -3.392 2.459 1.649 1.00 0.23 H new ATOM 0 HD13 LEU A 262 -3.962 0.862 1.106 1.00 0.23 H new ATOM 0 HD21 LEU A 262 -6.448 1.938 -0.351 1.00 0.34 H new ATOM 0 HD22 LEU A 262 -6.464 0.519 0.723 1.00 0.34 H new ATOM 0 HD23 LEU A 262 -7.570 1.879 1.029 1.00 0.34 H new ATOM 263 N GLY A 263 -6.546 1.031 5.790 1.00 0.11 N ATOM 264 CA GLY A 263 -6.527 0.200 6.972 1.00 0.12 C ATOM 265 C GLY A 263 -5.331 -0.725 7.014 1.00 0.11 C ATOM 266 O GLY A 263 -5.465 -1.896 7.361 1.00 0.14 O ATOM 0 H GLY A 263 -6.068 1.926 5.892 1.00 0.11 H new ATOM 0 HA2 GLY A 263 -6.522 0.835 7.858 1.00 0.12 H new ATOM 0 HA3 GLY A 263 -7.441 -0.392 7.010 1.00 0.12 H new ATOM 270 N ILE A 264 -4.161 -0.207 6.663 1.00 0.09 N ATOM 271 CA ILE A 264 -2.943 -1.008 6.669 1.00 0.09 C ATOM 272 C ILE A 264 -1.732 -0.195 7.104 1.00 0.08 C ATOM 273 O ILE A 264 -1.698 1.033 6.961 1.00 0.11 O ATOM 274 CB ILE A 264 -2.637 -1.622 5.283 1.00 0.12 C ATOM 275 CG1 ILE A 264 -2.893 -0.601 4.172 1.00 0.14 C ATOM 276 CG2 ILE A 264 -3.457 -2.883 5.057 1.00 0.17 C ATOM 277 CD1 ILE A 264 -2.336 -1.013 2.826 1.00 0.18 C ATOM 0 H ILE A 264 -4.029 0.761 6.371 1.00 0.09 H new ATOM 0 HA ILE A 264 -3.127 -1.808 7.386 1.00 0.09 H new ATOM 0 HB ILE A 264 -1.582 -1.896 5.258 1.00 0.12 H new ATOM 0 HG12 ILE A 264 -3.967 -0.442 4.077 1.00 0.14 H new ATOM 0 HG13 ILE A 264 -2.454 0.354 4.460 1.00 0.14 H new ATOM 0 HG21 ILE A 264 -3.225 -3.297 4.076 1.00 0.17 H new ATOM 0 HG22 ILE A 264 -3.216 -3.616 5.827 1.00 0.17 H new ATOM 0 HG23 ILE A 264 -4.519 -2.640 5.107 1.00 0.17 H new ATOM 0 HD11 ILE A 264 -2.556 -0.240 2.089 1.00 0.18 H new ATOM 0 HD12 ILE A 264 -1.257 -1.144 2.903 1.00 0.18 H new ATOM 0 HD13 ILE A 264 -2.794 -1.952 2.515 1.00 0.18 H new ATOM 289 N SER A 265 -0.750 -0.895 7.649 1.00 0.09 N ATOM 290 CA SER A 265 0.488 -0.282 8.093 1.00 0.12 C ATOM 291 C SER A 265 1.575 -0.517 7.049 1.00 0.11 C ATOM 292 O SER A 265 1.758 -1.642 6.578 1.00 0.19 O ATOM 293 CB SER A 265 0.900 -0.874 9.439 1.00 0.20 C ATOM 294 OG SER A 265 0.290 -2.140 9.640 1.00 1.00 O ATOM 0 H SER A 265 -0.790 -1.904 7.795 1.00 0.09 H new ATOM 0 HA SER A 265 0.344 0.792 8.214 1.00 0.12 H new ATOM 0 HB2 SER A 265 1.984 -0.977 9.480 1.00 0.20 H new ATOM 0 HB3 SER A 265 0.614 -0.196 10.243 1.00 0.20 H new ATOM 0 HG SER A 265 0.123 -2.275 10.596 1.00 1.00 H new ATOM 300 N ILE A 266 2.282 0.534 6.682 1.00 0.10 N ATOM 301 CA ILE A 266 3.326 0.426 5.676 1.00 0.11 C ATOM 302 C ILE A 266 4.688 0.259 6.340 1.00 0.13 C ATOM 303 O ILE A 266 5.208 1.184 6.952 1.00 0.28 O ATOM 304 CB ILE A 266 3.345 1.660 4.747 1.00 0.13 C ATOM 305 CG1 ILE A 266 1.921 2.061 4.332 1.00 0.14 C ATOM 306 CG2 ILE A 266 4.195 1.383 3.518 1.00 0.19 C ATOM 307 CD1 ILE A 266 1.101 0.919 3.769 1.00 0.16 C ATOM 0 H ILE A 266 2.155 1.472 7.063 1.00 0.10 H new ATOM 0 HA ILE A 266 3.110 -0.454 5.070 1.00 0.11 H new ATOM 0 HB ILE A 266 3.784 2.492 5.298 1.00 0.13 H new ATOM 0 HG12 ILE A 266 1.404 2.474 5.198 1.00 0.14 H new ATOM 0 HG13 ILE A 266 1.980 2.855 3.587 1.00 0.14 H new ATOM 0 HG21 ILE A 266 4.199 2.262 2.873 1.00 0.19 H new ATOM 0 HG22 ILE A 266 5.215 1.154 3.825 1.00 0.19 H new ATOM 0 HG23 ILE A 266 3.781 0.535 2.973 1.00 0.19 H new ATOM 0 HD11 ILE A 266 0.109 1.282 3.500 1.00 0.16 H new ATOM 0 HD12 ILE A 266 1.594 0.519 2.883 1.00 0.16 H new ATOM 0 HD13 ILE A 266 1.009 0.133 4.519 1.00 0.16 H new ATOM 319 N VAL A 267 5.262 -0.924 6.218 1.00 0.12 N ATOM 320 CA VAL A 267 6.555 -1.208 6.826 1.00 0.14 C ATOM 321 C VAL A 267 7.689 -1.069 5.817 1.00 0.14 C ATOM 322 O VAL A 267 7.803 -1.865 4.885 1.00 0.23 O ATOM 323 CB VAL A 267 6.591 -2.625 7.439 1.00 0.24 C ATOM 324 CG1 VAL A 267 7.934 -2.900 8.105 1.00 0.29 C ATOM 325 CG2 VAL A 267 5.455 -2.796 8.435 1.00 0.31 C ATOM 0 H VAL A 267 4.856 -1.706 5.704 1.00 0.12 H new ATOM 0 HA VAL A 267 6.695 -0.474 7.619 1.00 0.14 H new ATOM 0 HB VAL A 267 6.463 -3.348 6.634 1.00 0.24 H new ATOM 0 HG11 VAL A 267 7.931 -3.905 8.528 1.00 0.29 H new ATOM 0 HG12 VAL A 267 8.730 -2.820 7.365 1.00 0.29 H new ATOM 0 HG13 VAL A 267 8.102 -2.172 8.899 1.00 0.29 H new ATOM 0 HG21 VAL A 267 5.492 -3.799 8.860 1.00 0.31 H new ATOM 0 HG22 VAL A 267 5.557 -2.060 9.233 1.00 0.31 H new ATOM 0 HG23 VAL A 267 4.501 -2.652 7.927 1.00 0.31 H new ATOM 335 N GLY A 268 8.514 -0.046 5.997 1.00 0.17 N ATOM 336 CA GLY A 268 9.642 0.161 5.111 1.00 0.23 C ATOM 337 C GLY A 268 10.851 -0.627 5.574 1.00 0.23 C ATOM 338 O GLY A 268 11.404 -0.350 6.639 1.00 0.37 O ATOM 0 H GLY A 268 8.422 0.645 6.742 1.00 0.17 H new ATOM 0 HA2 GLY A 268 9.373 -0.141 4.099 1.00 0.23 H new ATOM 0 HA3 GLY A 268 9.888 1.222 5.073 1.00 0.23 H new ATOM 342 N GLN A 269 11.259 -1.611 4.787 1.00 0.27 N ATOM 343 CA GLN A 269 12.393 -2.449 5.145 1.00 0.34 C ATOM 344 C GLN A 269 13.712 -1.729 4.879 1.00 0.38 C ATOM 345 O GLN A 269 13.934 -1.190 3.790 1.00 0.50 O ATOM 346 CB GLN A 269 12.345 -3.768 4.376 1.00 0.49 C ATOM 347 CG GLN A 269 13.199 -4.862 4.995 1.00 0.67 C ATOM 348 CD GLN A 269 12.986 -4.983 6.494 1.00 1.19 C ATOM 349 OE1 GLN A 269 13.691 -4.357 7.286 1.00 1.81 O ATOM 350 NE2 GLN A 269 12.008 -5.782 6.894 1.00 1.87 N ATOM 0 H GLN A 269 10.822 -1.849 3.897 1.00 0.27 H new ATOM 0 HA GLN A 269 12.331 -2.662 6.212 1.00 0.34 H new ATOM 0 HB2 GLN A 269 11.312 -4.111 4.323 1.00 0.49 H new ATOM 0 HB3 GLN A 269 12.676 -3.595 3.352 1.00 0.49 H new ATOM 0 HG2 GLN A 269 12.966 -5.815 4.519 1.00 0.67 H new ATOM 0 HG3 GLN A 269 14.250 -4.655 4.795 1.00 0.67 H new ATOM 0 HE21 GLN A 269 11.446 -6.284 6.206 1.00 1.87 H new ATOM 0 HE22 GLN A 269 11.817 -5.895 7.890 1.00 1.87 H new ATOM 446 N GLY A 277 12.238 -1.747 0.280 1.00 0.30 N ATOM 447 CA GLY A 277 10.862 -1.775 -0.174 1.00 0.29 C ATOM 448 C GLY A 277 9.877 -1.680 0.973 1.00 0.24 C ATOM 449 O GLY A 277 10.250 -1.836 2.139 1.00 0.27 O ATOM 0 HA2 GLY A 277 10.693 -0.949 -0.865 1.00 0.29 H new ATOM 0 HA3 GLY A 277 10.683 -2.696 -0.728 1.00 0.29 H new ATOM 453 N ILE A 278 8.619 -1.428 0.647 1.00 0.21 N ATOM 454 CA ILE A 278 7.580 -1.310 1.657 1.00 0.19 C ATOM 455 C ILE A 278 6.685 -2.546 1.657 1.00 0.18 C ATOM 456 O ILE A 278 6.188 -2.972 0.610 1.00 0.23 O ATOM 457 CB ILE A 278 6.724 -0.040 1.457 1.00 0.20 C ATOM 458 CG1 ILE A 278 6.299 0.104 -0.006 1.00 0.23 C ATOM 459 CG2 ILE A 278 7.491 1.194 1.918 1.00 0.23 C ATOM 460 CD1 ILE A 278 5.224 1.148 -0.226 1.00 0.27 C ATOM 0 H ILE A 278 8.293 -1.301 -0.311 1.00 0.21 H new ATOM 0 HA ILE A 278 8.079 -1.229 2.623 1.00 0.19 H new ATOM 0 HB ILE A 278 5.823 -0.134 2.063 1.00 0.20 H new ATOM 0 HG12 ILE A 278 7.172 0.362 -0.605 1.00 0.23 H new ATOM 0 HG13 ILE A 278 5.938 -0.859 -0.367 1.00 0.23 H new ATOM 0 HG21 ILE A 278 6.875 2.081 1.771 1.00 0.23 H new ATOM 0 HG22 ILE A 278 7.738 1.095 2.975 1.00 0.23 H new ATOM 0 HG23 ILE A 278 8.409 1.289 1.338 1.00 0.23 H new ATOM 0 HD11 ILE A 278 4.973 1.194 -1.286 1.00 0.27 H new ATOM 0 HD12 ILE A 278 4.335 0.881 0.346 1.00 0.27 H new ATOM 0 HD13 ILE A 278 5.589 2.121 0.104 1.00 0.27 H new ATOM 472 N TYR A 279 6.490 -3.119 2.835 1.00 0.15 N ATOM 473 CA TYR A 279 5.674 -4.316 2.986 1.00 0.16 C ATOM 474 C TYR A 279 4.463 -4.038 3.870 1.00 0.15 C ATOM 475 O TYR A 279 4.453 -3.081 4.644 1.00 0.18 O ATOM 476 CB TYR A 279 6.507 -5.457 3.586 1.00 0.19 C ATOM 477 CG TYR A 279 7.724 -5.826 2.765 1.00 0.24 C ATOM 478 CD1 TYR A 279 8.917 -5.123 2.894 1.00 0.42 C ATOM 479 CD2 TYR A 279 7.683 -6.881 1.863 1.00 0.44 C ATOM 480 CE1 TYR A 279 10.029 -5.458 2.145 1.00 0.55 C ATOM 481 CE2 TYR A 279 8.792 -7.224 1.110 1.00 0.57 C ATOM 482 CZ TYR A 279 9.962 -6.508 1.254 1.00 0.55 C ATOM 483 OH TYR A 279 11.068 -6.842 0.503 1.00 0.72 O ATOM 0 H TYR A 279 6.889 -2.772 3.707 1.00 0.15 H new ATOM 0 HA TYR A 279 5.322 -4.613 1.998 1.00 0.16 H new ATOM 0 HB2 TYR A 279 6.830 -5.171 4.587 1.00 0.19 H new ATOM 0 HB3 TYR A 279 5.874 -6.338 3.695 1.00 0.19 H new ATOM 0 HD1 TYR A 279 8.975 -4.301 3.592 1.00 0.42 H new ATOM 0 HD2 TYR A 279 6.769 -7.444 1.747 1.00 0.44 H new ATOM 0 HE1 TYR A 279 10.947 -4.900 2.257 1.00 0.55 H new ATOM 0 HE2 TYR A 279 8.742 -8.048 0.413 1.00 0.57 H new ATOM 0 HH TYR A 279 10.898 -6.634 -0.439 1.00 0.72 H new ATOM 493 N ILE A 280 3.443 -4.873 3.738 1.00 0.16 N ATOM 494 CA ILE A 280 2.226 -4.736 4.527 1.00 0.16 C ATOM 495 C ILE A 280 2.453 -5.245 5.947 1.00 0.17 C ATOM 496 O ILE A 280 2.750 -6.422 6.147 1.00 0.21 O ATOM 497 CB ILE A 280 1.053 -5.520 3.893 1.00 0.19 C ATOM 498 CG1 ILE A 280 0.818 -5.072 2.445 1.00 0.21 C ATOM 499 CG2 ILE A 280 -0.220 -5.362 4.720 1.00 0.21 C ATOM 500 CD1 ILE A 280 0.316 -3.651 2.319 1.00 0.24 C ATOM 0 H ILE A 280 3.434 -5.658 3.087 1.00 0.16 H new ATOM 0 HA ILE A 280 1.970 -3.677 4.550 1.00 0.16 H new ATOM 0 HB ILE A 280 1.321 -6.576 3.884 1.00 0.19 H new ATOM 0 HG12 ILE A 280 1.750 -5.169 1.889 1.00 0.21 H new ATOM 0 HG13 ILE A 280 0.098 -5.744 1.979 1.00 0.21 H new ATOM 0 HG21 ILE A 280 -1.029 -5.923 4.253 1.00 0.21 H new ATOM 0 HG22 ILE A 280 -0.049 -5.742 5.727 1.00 0.21 H new ATOM 0 HG23 ILE A 280 -0.492 -4.308 4.772 1.00 0.21 H new ATOM 0 HD11 ILE A 280 0.174 -3.407 1.266 1.00 0.24 H new ATOM 0 HD12 ILE A 280 -0.633 -3.552 2.846 1.00 0.24 H new ATOM 0 HD13 ILE A 280 1.045 -2.968 2.754 1.00 0.24 H new ATOM 512 N GLY A 281 2.325 -4.357 6.925 1.00 0.20 N ATOM 513 CA GLY A 281 2.514 -4.747 8.308 1.00 0.23 C ATOM 514 C GLY A 281 1.342 -5.542 8.842 1.00 0.24 C ATOM 515 O GLY A 281 1.447 -6.744 9.071 1.00 0.42 O ATOM 0 H GLY A 281 2.094 -3.374 6.785 1.00 0.20 H new ATOM 0 HA2 GLY A 281 3.424 -5.341 8.395 1.00 0.23 H new ATOM 0 HA3 GLY A 281 2.655 -3.856 8.919 1.00 0.23 H new ATOM 519 N SER A 282 0.225 -4.868 9.049 1.00 0.25 N ATOM 520 CA SER A 282 -0.975 -5.513 9.545 1.00 0.29 C ATOM 521 C SER A 282 -2.208 -4.915 8.877 1.00 0.26 C ATOM 522 O SER A 282 -2.175 -3.778 8.400 1.00 0.30 O ATOM 523 CB SER A 282 -1.064 -5.369 11.066 1.00 0.35 C ATOM 524 OG SER A 282 -0.768 -4.043 11.483 1.00 0.75 O ATOM 0 H SER A 282 0.125 -3.867 8.880 1.00 0.25 H new ATOM 0 HA SER A 282 -0.930 -6.575 9.302 1.00 0.29 H new ATOM 0 HB2 SER A 282 -2.065 -5.641 11.400 1.00 0.35 H new ATOM 0 HB3 SER A 282 -0.370 -6.064 11.539 1.00 0.35 H new ATOM 0 HG SER A 282 -0.835 -3.984 12.459 1.00 0.75 H new ATOM 530 N ILE A 283 -3.283 -5.689 8.829 1.00 0.24 N ATOM 531 CA ILE A 283 -4.522 -5.235 8.219 1.00 0.23 C ATOM 532 C ILE A 283 -5.557 -4.927 9.292 1.00 0.23 C ATOM 533 O ILE A 283 -5.861 -5.770 10.137 1.00 0.30 O ATOM 534 CB ILE A 283 -5.096 -6.287 7.247 1.00 0.27 C ATOM 535 CG1 ILE A 283 -4.023 -6.752 6.260 1.00 0.32 C ATOM 536 CG2 ILE A 283 -6.298 -5.722 6.500 1.00 0.29 C ATOM 537 CD1 ILE A 283 -4.469 -7.905 5.388 1.00 0.53 C ATOM 0 H ILE A 283 -3.321 -6.636 9.206 1.00 0.24 H new ATOM 0 HA ILE A 283 -4.294 -4.331 7.654 1.00 0.23 H new ATOM 0 HB ILE A 283 -5.423 -7.149 7.829 1.00 0.27 H new ATOM 0 HG12 ILE A 283 -3.737 -5.914 5.624 1.00 0.32 H new ATOM 0 HG13 ILE A 283 -3.133 -7.049 6.815 1.00 0.32 H new ATOM 0 HG21 ILE A 283 -6.691 -6.477 5.819 1.00 0.29 H new ATOM 0 HG22 ILE A 283 -7.071 -5.441 7.215 1.00 0.29 H new ATOM 0 HG23 ILE A 283 -5.993 -4.844 5.931 1.00 0.29 H new ATOM 0 HD11 ILE A 283 -3.661 -8.184 4.712 1.00 0.53 H new ATOM 0 HD12 ILE A 283 -4.727 -8.757 6.016 1.00 0.53 H new ATOM 0 HD13 ILE A 283 -5.341 -7.605 4.806 1.00 0.53 H new ATOM 549 N MET A 284 -6.091 -3.719 9.254 1.00 0.20 N ATOM 550 CA MET A 284 -7.083 -3.290 10.223 1.00 0.21 C ATOM 551 C MET A 284 -8.477 -3.695 9.778 1.00 0.22 C ATOM 552 O MET A 284 -8.892 -3.395 8.656 1.00 0.23 O ATOM 553 CB MET A 284 -7.015 -1.772 10.416 1.00 0.24 C ATOM 554 CG MET A 284 -5.680 -1.278 10.949 1.00 0.35 C ATOM 555 SD MET A 284 -5.352 -1.823 12.639 1.00 0.54 S ATOM 556 CE MET A 284 -4.292 -3.239 12.347 1.00 0.74 C ATOM 0 H MET A 284 -5.852 -3.014 8.557 1.00 0.20 H new ATOM 0 HA MET A 284 -6.866 -3.778 11.173 1.00 0.21 H new ATOM 0 HB2 MET A 284 -7.217 -1.285 9.462 1.00 0.24 H new ATOM 0 HB3 MET A 284 -7.805 -1.467 11.103 1.00 0.24 H new ATOM 0 HG2 MET A 284 -4.881 -1.632 10.297 1.00 0.35 H new ATOM 0 HG3 MET A 284 -5.661 -0.189 10.914 1.00 0.35 H new ATOM 0 HE1 MET A 284 -3.399 -3.159 12.967 1.00 0.74 H new ATOM 0 HE2 MET A 284 -4.829 -4.153 12.600 1.00 0.74 H new ATOM 0 HE3 MET A 284 -4.003 -3.267 11.296 1.00 0.74 H new ATOM 566 N LYS A 285 -9.196 -4.384 10.654 1.00 0.28 N ATOM 567 CA LYS A 285 -10.551 -4.815 10.349 1.00 0.33 C ATOM 568 C LYS A 285 -11.466 -3.602 10.258 1.00 0.33 C ATOM 569 O LYS A 285 -11.748 -2.946 11.261 1.00 0.46 O ATOM 570 CB LYS A 285 -11.064 -5.794 11.408 1.00 0.43 C ATOM 571 CG LYS A 285 -12.363 -6.488 11.018 1.00 0.49 C ATOM 572 CD LYS A 285 -12.241 -7.189 9.671 1.00 0.63 C ATOM 573 CE LYS A 285 -13.465 -8.036 9.362 1.00 0.83 C ATOM 574 NZ LYS A 285 -14.681 -7.206 9.149 1.00 1.01 N ATOM 0 H LYS A 285 -8.863 -4.655 11.579 1.00 0.28 H new ATOM 0 HA LYS A 285 -10.546 -5.332 9.390 1.00 0.33 H new ATOM 0 HB2 LYS A 285 -10.300 -6.549 11.594 1.00 0.43 H new ATOM 0 HB3 LYS A 285 -11.216 -5.257 12.344 1.00 0.43 H new ATOM 0 HG2 LYS A 285 -12.632 -7.215 11.784 1.00 0.49 H new ATOM 0 HG3 LYS A 285 -13.169 -5.756 10.976 1.00 0.49 H new ATOM 0 HD2 LYS A 285 -12.106 -6.446 8.885 1.00 0.63 H new ATOM 0 HD3 LYS A 285 -11.352 -7.820 9.669 1.00 0.63 H new ATOM 0 HE2 LYS A 285 -13.275 -8.635 8.471 1.00 0.83 H new ATOM 0 HE3 LYS A 285 -13.641 -8.731 10.183 1.00 0.83 H new ATOM 0 HZ1 LYS A 285 -15.491 -7.824 8.941 1.00 1.01 H new ATOM 0 HZ2 LYS A 285 -14.879 -6.653 10.007 1.00 1.01 H new ATOM 0 HZ3 LYS A 285 -14.525 -6.560 8.349 1.00 1.01 H new ATOM 588 N GLY A 286 -11.916 -3.313 9.051 1.00 0.33 N ATOM 589 CA GLY A 286 -12.771 -2.172 8.825 1.00 0.35 C ATOM 590 C GLY A 286 -12.295 -1.369 7.636 1.00 0.30 C ATOM 591 O GLY A 286 -13.048 -0.593 7.053 1.00 0.36 O ATOM 0 H GLY A 286 -11.701 -3.855 8.214 1.00 0.33 H new ATOM 0 HA2 GLY A 286 -13.794 -2.507 8.657 1.00 0.35 H new ATOM 0 HA3 GLY A 286 -12.784 -1.541 9.714 1.00 0.35 H new ATOM 595 N GLY A 287 -11.033 -1.560 7.278 1.00 0.26 N ATOM 596 CA GLY A 287 -10.470 -0.858 6.146 1.00 0.24 C ATOM 597 C GLY A 287 -10.878 -1.486 4.830 1.00 0.22 C ATOM 598 O GLY A 287 -11.452 -2.577 4.806 1.00 0.24 O ATOM 0 H GLY A 287 -10.388 -2.191 7.754 1.00 0.26 H new ATOM 0 HA2 GLY A 287 -10.794 0.183 6.167 1.00 0.24 H new ATOM 0 HA3 GLY A 287 -9.383 -0.855 6.225 1.00 0.24 H new ATOM 602 N ALA A 288 -10.580 -0.804 3.736 1.00 0.21 N ATOM 603 CA ALA A 288 -10.924 -1.303 2.412 1.00 0.22 C ATOM 604 C ALA A 288 -10.139 -2.569 2.084 1.00 0.22 C ATOM 605 O ALA A 288 -10.638 -3.460 1.397 1.00 0.25 O ATOM 606 CB ALA A 288 -10.673 -0.230 1.364 1.00 0.24 C ATOM 0 H ALA A 288 -10.101 0.096 3.737 1.00 0.21 H new ATOM 0 HA ALA A 288 -11.984 -1.556 2.406 1.00 0.22 H new ATOM 0 HB1 ALA A 288 -10.934 -0.616 0.379 1.00 0.24 H new ATOM 0 HB2 ALA A 288 -11.285 0.645 1.585 1.00 0.24 H new ATOM 0 HB3 ALA A 288 -9.620 0.051 1.376 1.00 0.24 H new ATOM 612 N VAL A 289 -8.919 -2.656 2.603 1.00 0.20 N ATOM 613 CA VAL A 289 -8.063 -3.815 2.369 1.00 0.21 C ATOM 614 C VAL A 289 -8.652 -5.063 3.023 1.00 0.23 C ATOM 615 O VAL A 289 -8.543 -6.169 2.487 1.00 0.26 O ATOM 616 CB VAL A 289 -6.636 -3.579 2.909 1.00 0.20 C ATOM 617 CG1 VAL A 289 -5.733 -4.760 2.595 1.00 0.23 C ATOM 618 CG2 VAL A 289 -6.055 -2.298 2.333 1.00 0.20 C ATOM 0 H VAL A 289 -8.499 -1.936 3.190 1.00 0.20 H new ATOM 0 HA VAL A 289 -8.008 -3.964 1.291 1.00 0.21 H new ATOM 0 HB VAL A 289 -6.697 -3.478 3.993 1.00 0.20 H new ATOM 0 HG11 VAL A 289 -4.734 -4.568 2.986 1.00 0.23 H new ATOM 0 HG12 VAL A 289 -6.137 -5.660 3.058 1.00 0.23 H new ATOM 0 HG13 VAL A 289 -5.679 -4.900 1.515 1.00 0.23 H new ATOM 0 HG21 VAL A 289 -5.049 -2.147 2.724 1.00 0.20 H new ATOM 0 HG22 VAL A 289 -6.015 -2.373 1.246 1.00 0.20 H new ATOM 0 HG23 VAL A 289 -6.684 -1.454 2.615 1.00 0.20 H new ATOM 628 N ALA A 290 -9.313 -4.871 4.159 1.00 0.23 N ATOM 629 CA ALA A 290 -9.916 -5.976 4.894 1.00 0.27 C ATOM 630 C ALA A 290 -11.149 -6.512 4.174 1.00 0.29 C ATOM 631 O ALA A 290 -11.624 -7.609 4.467 1.00 0.37 O ATOM 632 CB ALA A 290 -10.274 -5.535 6.304 1.00 0.29 C ATOM 0 H ALA A 290 -9.445 -3.957 4.592 1.00 0.23 H new ATOM 0 HA ALA A 290 -9.186 -6.783 4.950 1.00 0.27 H new ATOM 0 HB1 ALA A 290 -10.724 -6.369 6.843 1.00 0.29 H new ATOM 0 HB2 ALA A 290 -9.372 -5.211 6.824 1.00 0.29 H new ATOM 0 HB3 ALA A 290 -10.983 -4.708 6.258 1.00 0.29 H new ATOM 638 N ALA A 291 -11.659 -5.733 3.228 1.00 0.29 N ATOM 639 CA ALA A 291 -12.835 -6.129 2.468 1.00 0.32 C ATOM 640 C ALA A 291 -12.443 -6.985 1.270 1.00 0.32 C ATOM 641 O ALA A 291 -13.220 -7.828 0.817 1.00 0.41 O ATOM 642 CB ALA A 291 -13.609 -4.901 2.017 1.00 0.38 C ATOM 0 H ALA A 291 -11.276 -4.824 2.970 1.00 0.29 H new ATOM 0 HA ALA A 291 -13.477 -6.727 3.115 1.00 0.32 H new ATOM 0 HB1 ALA A 291 -14.486 -5.212 1.450 1.00 0.38 H new ATOM 0 HB2 ALA A 291 -13.925 -4.329 2.890 1.00 0.38 H new ATOM 0 HB3 ALA A 291 -12.971 -4.280 1.388 1.00 0.38 H new ATOM 648 N ASP A 292 -11.228 -6.775 0.770 1.00 0.31 N ATOM 649 CA ASP A 292 -10.734 -7.526 -0.382 1.00 0.32 C ATOM 650 C ASP A 292 -10.333 -8.939 0.028 1.00 0.30 C ATOM 651 O ASP A 292 -10.997 -9.912 -0.336 1.00 0.38 O ATOM 652 CB ASP A 292 -9.549 -6.810 -1.025 1.00 0.37 C ATOM 653 CG ASP A 292 -9.205 -7.393 -2.378 1.00 0.43 C ATOM 654 OD1 ASP A 292 -9.845 -7.004 -3.376 1.00 0.55 O ATOM 655 OD2 ASP A 292 -8.309 -8.256 -2.448 1.00 0.45 O ATOM 0 H ASP A 292 -10.568 -6.093 1.143 1.00 0.31 H new ATOM 0 HA ASP A 292 -11.540 -7.591 -1.113 1.00 0.32 H new ATOM 0 HB2 ASP A 292 -9.781 -5.751 -1.134 1.00 0.37 H new ATOM 0 HB3 ASP A 292 -8.682 -6.881 -0.368 1.00 0.37 H new ATOM 660 N GLY A 293 -9.246 -9.051 0.785 1.00 0.29 N ATOM 661 CA GLY A 293 -8.807 -10.353 1.254 1.00 0.33 C ATOM 662 C GLY A 293 -7.648 -10.954 0.471 1.00 0.33 C ATOM 663 O GLY A 293 -7.111 -11.985 0.874 1.00 0.39 O ATOM 0 H GLY A 293 -8.664 -8.268 1.081 1.00 0.29 H new ATOM 0 HA2 GLY A 293 -8.515 -10.267 2.301 1.00 0.33 H new ATOM 0 HA3 GLY A 293 -9.651 -11.042 1.214 1.00 0.33 H new ATOM 667 N ARG A 294 -7.261 -10.339 -0.643 1.00 0.31 N ATOM 668 CA ARG A 294 -6.154 -10.870 -1.442 1.00 0.32 C ATOM 669 C ARG A 294 -4.806 -10.427 -0.886 1.00 0.30 C ATOM 670 O ARG A 294 -3.772 -11.035 -1.174 1.00 0.37 O ATOM 671 CB ARG A 294 -6.282 -10.445 -2.906 1.00 0.35 C ATOM 672 CG ARG A 294 -7.282 -11.275 -3.695 1.00 0.41 C ATOM 673 CD ARG A 294 -7.550 -10.677 -5.065 1.00 0.44 C ATOM 674 NE ARG A 294 -8.217 -9.381 -4.976 1.00 0.43 N ATOM 675 CZ ARG A 294 -8.651 -8.690 -6.029 1.00 0.54 C ATOM 676 NH1 ARG A 294 -8.478 -9.159 -7.258 1.00 0.68 N ATOM 677 NH2 ARG A 294 -9.263 -7.529 -5.848 1.00 0.58 N ATOM 0 H ARG A 294 -7.686 -9.488 -1.010 1.00 0.31 H new ATOM 0 HA ARG A 294 -6.207 -11.957 -1.387 1.00 0.32 H new ATOM 0 HB2 ARG A 294 -6.580 -9.397 -2.947 1.00 0.35 H new ATOM 0 HB3 ARG A 294 -5.305 -10.518 -3.384 1.00 0.35 H new ATOM 0 HG2 ARG A 294 -6.903 -12.291 -3.809 1.00 0.41 H new ATOM 0 HG3 ARG A 294 -8.217 -11.344 -3.139 1.00 0.41 H new ATOM 0 HD2 ARG A 294 -6.608 -10.564 -5.602 1.00 0.44 H new ATOM 0 HD3 ARG A 294 -8.167 -11.363 -5.645 1.00 0.44 H new ATOM 0 HE ARG A 294 -8.360 -8.980 -4.049 1.00 0.43 H new ATOM 0 HH11 ARG A 294 -8.010 -10.054 -7.401 1.00 0.68 H new ATOM 0 HH12 ARG A 294 -8.813 -8.625 -8.060 1.00 0.68 H new ATOM 0 HH21 ARG A 294 -9.401 -7.167 -4.905 1.00 0.58 H new ATOM 0 HH22 ARG A 294 -9.596 -6.997 -6.652 1.00 0.58 H new ATOM 691 N ILE A 295 -4.821 -9.371 -0.091 1.00 0.26 N ATOM 692 CA ILE A 295 -3.602 -8.849 0.509 1.00 0.25 C ATOM 693 C ILE A 295 -3.446 -9.390 1.923 1.00 0.25 C ATOM 694 O ILE A 295 -4.420 -9.478 2.667 1.00 0.29 O ATOM 695 CB ILE A 295 -3.603 -7.304 0.536 1.00 0.25 C ATOM 696 CG1 ILE A 295 -3.813 -6.752 -0.876 1.00 0.27 C ATOM 697 CG2 ILE A 295 -2.302 -6.772 1.126 1.00 0.27 C ATOM 698 CD1 ILE A 295 -3.990 -5.251 -0.924 1.00 0.37 C ATOM 0 H ILE A 295 -5.666 -8.856 0.155 1.00 0.26 H new ATOM 0 HA ILE A 295 -2.761 -9.176 -0.102 1.00 0.25 H new ATOM 0 HB ILE A 295 -4.425 -6.971 1.170 1.00 0.25 H new ATOM 0 HG12 ILE A 295 -2.959 -7.028 -1.495 1.00 0.27 H new ATOM 0 HG13 ILE A 295 -4.691 -7.226 -1.315 1.00 0.27 H new ATOM 0 HG21 ILE A 295 -2.325 -5.682 1.135 1.00 0.27 H new ATOM 0 HG22 ILE A 295 -2.187 -7.141 2.145 1.00 0.27 H new ATOM 0 HG23 ILE A 295 -1.462 -7.112 0.520 1.00 0.27 H new ATOM 0 HD11 ILE A 295 -4.134 -4.934 -1.957 1.00 0.37 H new ATOM 0 HD12 ILE A 295 -4.861 -4.968 -0.333 1.00 0.37 H new ATOM 0 HD13 ILE A 295 -3.103 -4.767 -0.516 1.00 0.37 H new ATOM 710 N GLU A 296 -2.226 -9.761 2.281 1.00 0.24 N ATOM 711 CA GLU A 296 -1.946 -10.303 3.601 1.00 0.26 C ATOM 712 C GLU A 296 -0.726 -9.616 4.211 1.00 0.24 C ATOM 713 O GLU A 296 0.090 -9.034 3.489 1.00 0.22 O ATOM 714 CB GLU A 296 -1.725 -11.819 3.510 1.00 0.31 C ATOM 715 CG GLU A 296 -0.477 -12.215 2.737 1.00 0.36 C ATOM 716 CD GLU A 296 -0.479 -13.673 2.330 1.00 0.49 C ATOM 717 OE1 GLU A 296 -0.206 -14.540 3.187 1.00 0.69 O ATOM 718 OE2 GLU A 296 -0.752 -13.960 1.149 1.00 0.56 O ATOM 0 H GLU A 296 -1.410 -9.696 1.672 1.00 0.24 H new ATOM 0 HA GLU A 296 -2.802 -10.114 4.249 1.00 0.26 H new ATOM 0 HB2 GLU A 296 -1.661 -12.228 4.518 1.00 0.31 H new ATOM 0 HB3 GLU A 296 -2.594 -12.275 3.036 1.00 0.31 H new ATOM 0 HG2 GLU A 296 -0.395 -11.593 1.845 1.00 0.36 H new ATOM 0 HG3 GLU A 296 0.403 -12.014 3.348 1.00 0.36 H new ATOM 725 N PRO A 297 -0.595 -9.649 5.550 1.00 0.26 N ATOM 726 CA PRO A 297 0.543 -9.042 6.248 1.00 0.27 C ATOM 727 C PRO A 297 1.867 -9.681 5.836 1.00 0.27 C ATOM 728 O PRO A 297 2.275 -10.712 6.383 1.00 0.41 O ATOM 729 CB PRO A 297 0.253 -9.313 7.726 1.00 0.32 C ATOM 730 CG PRO A 297 -1.201 -9.618 7.797 1.00 0.34 C ATOM 731 CD PRO A 297 -1.550 -10.263 6.487 1.00 0.32 C ATOM 0 HA PRO A 297 0.646 -7.982 6.017 1.00 0.27 H new ATOM 0 HB2 PRO A 297 0.848 -10.148 8.096 1.00 0.32 H new ATOM 0 HB3 PRO A 297 0.503 -8.448 8.340 1.00 0.32 H new ATOM 0 HG2 PRO A 297 -1.420 -10.284 8.631 1.00 0.34 H new ATOM 0 HG3 PRO A 297 -1.784 -8.710 7.953 1.00 0.34 H new ATOM 0 HD2 PRO A 297 -1.436 -11.346 6.528 1.00 0.32 H new ATOM 0 HD3 PRO A 297 -2.582 -10.062 6.201 1.00 0.32 H new ATOM 739 N GLY A 298 2.523 -9.068 4.859 1.00 0.27 N ATOM 740 CA GLY A 298 3.785 -9.574 4.364 1.00 0.28 C ATOM 741 C GLY A 298 3.999 -9.232 2.905 1.00 0.25 C ATOM 742 O GLY A 298 5.131 -9.256 2.417 1.00 0.29 O ATOM 0 H GLY A 298 2.197 -8.219 4.397 1.00 0.27 H new ATOM 0 HA2 GLY A 298 4.600 -9.159 4.957 1.00 0.28 H new ATOM 0 HA3 GLY A 298 3.817 -10.656 4.491 1.00 0.28 H new ATOM 746 N ASP A 299 2.906 -8.914 2.212 1.00 0.22 N ATOM 747 CA ASP A 299 2.961 -8.555 0.793 1.00 0.22 C ATOM 748 C ASP A 299 3.756 -7.271 0.589 1.00 0.20 C ATOM 749 O ASP A 299 3.802 -6.411 1.472 1.00 0.21 O ATOM 750 CB ASP A 299 1.549 -8.364 0.223 1.00 0.24 C ATOM 751 CG ASP A 299 0.778 -9.662 0.063 1.00 0.27 C ATOM 752 OD1 ASP A 299 1.391 -10.702 -0.263 1.00 0.34 O ATOM 753 OD2 ASP A 299 -0.456 -9.643 0.245 1.00 0.28 O ATOM 0 H ASP A 299 1.968 -8.897 2.611 1.00 0.22 H new ATOM 0 HA ASP A 299 3.455 -9.373 0.268 1.00 0.22 H new ATOM 0 HB2 ASP A 299 0.989 -7.697 0.878 1.00 0.24 H new ATOM 0 HB3 ASP A 299 1.621 -7.872 -0.747 1.00 0.24 H new ATOM 758 N MET A 300 4.378 -7.143 -0.574 1.00 0.21 N ATOM 759 CA MET A 300 5.167 -5.960 -0.892 1.00 0.21 C ATOM 760 C MET A 300 4.409 -5.049 -1.855 1.00 0.19 C ATOM 761 O MET A 300 3.905 -5.504 -2.882 1.00 0.21 O ATOM 762 CB MET A 300 6.517 -6.366 -1.500 1.00 0.27 C ATOM 763 CG MET A 300 7.411 -5.186 -1.853 1.00 0.32 C ATOM 764 SD MET A 300 9.126 -5.663 -2.148 1.00 0.50 S ATOM 765 CE MET A 300 8.965 -6.659 -3.627 1.00 1.26 C ATOM 0 H MET A 300 4.352 -7.844 -1.314 1.00 0.21 H new ATOM 0 HA MET A 300 5.348 -5.411 0.032 1.00 0.21 H new ATOM 0 HB2 MET A 300 7.043 -7.011 -0.796 1.00 0.27 H new ATOM 0 HB3 MET A 300 6.338 -6.956 -2.399 1.00 0.27 H new ATOM 0 HG2 MET A 300 7.019 -4.694 -2.743 1.00 0.32 H new ATOM 0 HG3 MET A 300 7.377 -4.457 -1.044 1.00 0.32 H new ATOM 0 HE1 MET A 300 9.512 -7.593 -3.498 1.00 1.26 H new ATOM 0 HE2 MET A 300 7.912 -6.877 -3.806 1.00 1.26 H new ATOM 0 HE3 MET A 300 9.373 -6.114 -4.479 1.00 1.26 H new ATOM 775 N LEU A 301 4.332 -3.770 -1.518 1.00 0.19 N ATOM 776 CA LEU A 301 3.642 -2.798 -2.354 1.00 0.19 C ATOM 777 C LEU A 301 4.577 -2.284 -3.439 1.00 0.20 C ATOM 778 O LEU A 301 5.589 -1.649 -3.147 1.00 0.24 O ATOM 779 CB LEU A 301 3.137 -1.624 -1.507 1.00 0.23 C ATOM 780 CG LEU A 301 1.899 -1.909 -0.653 1.00 0.33 C ATOM 781 CD1 LEU A 301 1.753 -0.852 0.433 1.00 0.48 C ATOM 782 CD2 LEU A 301 0.651 -1.957 -1.524 1.00 0.47 C ATOM 0 H LEU A 301 4.740 -3.380 -0.669 1.00 0.19 H new ATOM 0 HA LEU A 301 2.787 -3.289 -2.820 1.00 0.19 H new ATOM 0 HB2 LEU A 301 3.944 -1.301 -0.849 1.00 0.23 H new ATOM 0 HB3 LEU A 301 2.914 -0.789 -2.172 1.00 0.23 H new ATOM 0 HG LEU A 301 2.021 -2.881 -0.176 1.00 0.33 H new ATOM 0 HD11 LEU A 301 0.869 -1.067 1.033 1.00 0.48 H new ATOM 0 HD12 LEU A 301 2.636 -0.862 1.072 1.00 0.48 H new ATOM 0 HD13 LEU A 301 1.649 0.131 -0.027 1.00 0.48 H new ATOM 0 HD21 LEU A 301 -0.220 -2.161 -0.901 1.00 0.47 H new ATOM 0 HD22 LEU A 301 0.521 -0.999 -2.027 1.00 0.47 H new ATOM 0 HD23 LEU A 301 0.757 -2.746 -2.268 1.00 0.47 H new ATOM 794 N LEU A 302 4.245 -2.579 -4.688 1.00 0.20 N ATOM 795 CA LEU A 302 5.059 -2.139 -5.812 1.00 0.22 C ATOM 796 C LEU A 302 4.485 -0.875 -6.434 1.00 0.22 C ATOM 797 O LEU A 302 5.018 0.220 -6.262 1.00 0.29 O ATOM 798 CB LEU A 302 5.144 -3.232 -6.883 1.00 0.27 C ATOM 799 CG LEU A 302 5.584 -4.610 -6.395 1.00 0.37 C ATOM 800 CD1 LEU A 302 5.666 -5.575 -7.566 1.00 0.53 C ATOM 801 CD2 LEU A 302 6.921 -4.526 -5.678 1.00 0.46 C ATOM 0 H LEU A 302 3.420 -3.120 -4.948 1.00 0.20 H new ATOM 0 HA LEU A 302 6.059 -1.930 -5.431 1.00 0.22 H new ATOM 0 HB2 LEU A 302 4.166 -3.330 -7.353 1.00 0.27 H new ATOM 0 HB3 LEU A 302 5.838 -2.903 -7.656 1.00 0.27 H new ATOM 0 HG LEU A 302 4.844 -4.980 -5.686 1.00 0.37 H new ATOM 0 HD11 LEU A 302 5.981 -6.555 -7.208 1.00 0.53 H new ATOM 0 HD12 LEU A 302 4.687 -5.658 -8.038 1.00 0.53 H new ATOM 0 HD13 LEU A 302 6.389 -5.205 -8.293 1.00 0.53 H new ATOM 0 HD21 LEU A 302 7.215 -5.519 -5.339 1.00 0.46 H new ATOM 0 HD22 LEU A 302 7.676 -4.137 -6.361 1.00 0.46 H new ATOM 0 HD23 LEU A 302 6.832 -3.861 -4.819 1.00 0.46 H new ATOM 813 N GLN A 303 3.384 -1.038 -7.144 1.00 0.21 N ATOM 814 CA GLN A 303 2.734 0.071 -7.813 1.00 0.22 C ATOM 815 C GLN A 303 1.358 0.324 -7.217 1.00 0.21 C ATOM 816 O GLN A 303 0.559 -0.600 -7.052 1.00 0.25 O ATOM 817 CB GLN A 303 2.621 -0.226 -9.309 1.00 0.27 C ATOM 818 CG GLN A 303 1.719 0.729 -10.068 1.00 0.32 C ATOM 819 CD GLN A 303 1.274 0.172 -11.403 1.00 0.51 C ATOM 820 OE1 GLN A 303 0.156 0.430 -11.848 1.00 0.68 O ATOM 821 NE2 GLN A 303 2.138 -0.595 -12.050 1.00 0.73 N ATOM 0 H GLN A 303 2.919 -1.937 -7.272 1.00 0.21 H new ATOM 0 HA GLN A 303 3.335 0.970 -7.672 1.00 0.22 H new ATOM 0 HB2 GLN A 303 3.617 -0.195 -9.750 1.00 0.27 H new ATOM 0 HB3 GLN A 303 2.247 -1.242 -9.439 1.00 0.27 H new ATOM 0 HG2 GLN A 303 0.842 0.954 -9.462 1.00 0.32 H new ATOM 0 HG3 GLN A 303 2.245 1.670 -10.228 1.00 0.32 H new ATOM 0 HE21 GLN A 303 3.055 -0.784 -11.645 1.00 0.73 H new ATOM 0 HE22 GLN A 303 1.887 -0.997 -12.953 1.00 0.73 H new ATOM 830 N VAL A 304 1.085 1.572 -6.892 1.00 0.20 N ATOM 831 CA VAL A 304 -0.195 1.946 -6.323 1.00 0.21 C ATOM 832 C VAL A 304 -0.809 3.080 -7.127 1.00 0.22 C ATOM 833 O VAL A 304 -0.356 4.217 -7.046 1.00 0.26 O ATOM 834 CB VAL A 304 -0.066 2.378 -4.847 1.00 0.24 C ATOM 835 CG1 VAL A 304 -1.408 2.855 -4.309 1.00 0.29 C ATOM 836 CG2 VAL A 304 0.481 1.238 -3.999 1.00 0.27 C ATOM 0 H VAL A 304 1.736 2.348 -7.013 1.00 0.20 H new ATOM 0 HA VAL A 304 -0.838 1.067 -6.363 1.00 0.21 H new ATOM 0 HB VAL A 304 0.638 3.209 -4.794 1.00 0.24 H new ATOM 0 HG11 VAL A 304 -1.296 3.155 -3.267 1.00 0.29 H new ATOM 0 HG12 VAL A 304 -1.754 3.705 -4.897 1.00 0.29 H new ATOM 0 HG13 VAL A 304 -2.136 2.046 -4.378 1.00 0.29 H new ATOM 0 HG21 VAL A 304 0.564 1.563 -2.962 1.00 0.27 H new ATOM 0 HG22 VAL A 304 -0.194 0.384 -4.058 1.00 0.27 H new ATOM 0 HG23 VAL A 304 1.465 0.949 -4.369 1.00 0.27 H new ATOM 846 N ASN A 305 -1.834 2.754 -7.904 1.00 0.27 N ATOM 847 CA ASN A 305 -2.523 3.733 -8.740 1.00 0.33 C ATOM 848 C ASN A 305 -1.567 4.343 -9.767 1.00 0.31 C ATOM 849 O ASN A 305 -1.223 5.525 -9.692 1.00 0.34 O ATOM 850 CB ASN A 305 -3.169 4.828 -7.878 1.00 0.39 C ATOM 851 CG ASN A 305 -4.183 5.664 -8.643 1.00 0.78 C ATOM 852 OD1 ASN A 305 -3.860 6.727 -9.170 1.00 1.71 O ATOM 853 ND2 ASN A 305 -5.422 5.195 -8.695 1.00 1.14 N ATOM 0 H ASN A 305 -2.211 1.809 -7.974 1.00 0.27 H new ATOM 0 HA ASN A 305 -3.315 3.216 -9.282 1.00 0.33 H new ATOM 0 HB2 ASN A 305 -3.659 4.366 -7.021 1.00 0.39 H new ATOM 0 HB3 ASN A 305 -2.390 5.481 -7.486 1.00 0.39 H new ATOM 0 HD21 ASN A 305 -6.146 5.720 -9.185 1.00 1.14 H new ATOM 0 HD22 ASN A 305 -5.651 4.309 -8.245 1.00 1.14 H new ATOM 860 N ASP A 306 -1.110 3.494 -10.688 1.00 0.32 N ATOM 861 CA ASP A 306 -0.209 3.882 -11.785 1.00 0.35 C ATOM 862 C ASP A 306 1.238 4.117 -11.340 1.00 0.31 C ATOM 863 O ASP A 306 2.161 3.537 -11.920 1.00 0.35 O ATOM 864 CB ASP A 306 -0.737 5.110 -12.531 1.00 0.42 C ATOM 865 CG ASP A 306 -1.690 4.729 -13.642 1.00 0.66 C ATOM 866 OD1 ASP A 306 -1.220 4.440 -14.763 1.00 1.06 O ATOM 867 OD2 ASP A 306 -2.915 4.696 -13.396 1.00 1.11 O ATOM 0 H ASP A 306 -1.356 2.504 -10.697 1.00 0.32 H new ATOM 0 HA ASP A 306 -0.193 3.028 -12.462 1.00 0.35 H new ATOM 0 HB2 ASP A 306 -1.244 5.771 -11.828 1.00 0.42 H new ATOM 0 HB3 ASP A 306 0.101 5.670 -12.947 1.00 0.42 H new ATOM 872 N VAL A 307 1.447 4.960 -10.332 1.00 0.30 N ATOM 873 CA VAL A 307 2.802 5.256 -9.859 1.00 0.29 C ATOM 874 C VAL A 307 3.467 4.021 -9.253 1.00 0.25 C ATOM 875 O VAL A 307 2.851 3.280 -8.480 1.00 0.28 O ATOM 876 CB VAL A 307 2.836 6.422 -8.843 1.00 0.34 C ATOM 877 CG1 VAL A 307 2.472 7.731 -9.524 1.00 0.71 C ATOM 878 CG2 VAL A 307 1.913 6.162 -7.666 1.00 0.53 C ATOM 0 H VAL A 307 0.705 5.447 -9.829 1.00 0.30 H new ATOM 0 HA VAL A 307 3.365 5.565 -10.739 1.00 0.29 H new ATOM 0 HB VAL A 307 3.853 6.497 -8.458 1.00 0.34 H new ATOM 0 HG11 VAL A 307 2.501 8.541 -8.795 1.00 0.71 H new ATOM 0 HG12 VAL A 307 3.185 7.936 -10.323 1.00 0.71 H new ATOM 0 HG13 VAL A 307 1.469 7.656 -9.944 1.00 0.71 H new ATOM 0 HG21 VAL A 307 1.962 7.002 -6.973 1.00 0.53 H new ATOM 0 HG22 VAL A 307 0.890 6.047 -8.024 1.00 0.53 H new ATOM 0 HG23 VAL A 307 2.223 5.251 -7.155 1.00 0.53 H new ATOM 888 N ASN A 308 4.722 3.794 -9.623 1.00 0.25 N ATOM 889 CA ASN A 308 5.476 2.642 -9.141 1.00 0.25 C ATOM 890 C ASN A 308 6.534 3.074 -8.134 1.00 0.24 C ATOM 891 O ASN A 308 7.358 3.943 -8.419 1.00 0.33 O ATOM 892 CB ASN A 308 6.132 1.912 -10.316 1.00 0.33 C ATOM 893 CG ASN A 308 6.689 0.557 -9.932 1.00 0.46 C ATOM 894 OD1 ASN A 308 6.319 -0.010 -8.906 1.00 0.58 O ATOM 895 ND2 ASN A 308 7.580 0.026 -10.756 1.00 0.74 N ATOM 0 H ASN A 308 5.242 4.397 -10.260 1.00 0.25 H new ATOM 0 HA ASN A 308 4.785 1.962 -8.643 1.00 0.25 H new ATOM 0 HB2 ASN A 308 5.399 1.785 -11.113 1.00 0.33 H new ATOM 0 HB3 ASN A 308 6.936 2.529 -10.717 1.00 0.33 H new ATOM 0 HD21 ASN A 308 7.986 -0.887 -10.549 1.00 0.74 H new ATOM 0 HD22 ASN A 308 7.860 0.530 -11.598 1.00 0.74 H new ATOM 902 N PHE A 309 6.520 2.449 -6.964 1.00 0.22 N ATOM 903 CA PHE A 309 7.461 2.784 -5.902 1.00 0.24 C ATOM 904 C PHE A 309 8.664 1.846 -5.893 1.00 0.26 C ATOM 905 O PHE A 309 9.532 1.951 -5.025 1.00 0.30 O ATOM 906 CB PHE A 309 6.761 2.733 -4.541 1.00 0.28 C ATOM 907 CG PHE A 309 5.559 3.631 -4.437 1.00 0.26 C ATOM 908 CD1 PHE A 309 5.640 4.966 -4.798 1.00 0.29 C ATOM 909 CD2 PHE A 309 4.349 3.140 -3.976 1.00 0.31 C ATOM 910 CE1 PHE A 309 4.537 5.793 -4.703 1.00 0.33 C ATOM 911 CE2 PHE A 309 3.243 3.960 -3.879 1.00 0.33 C ATOM 912 CZ PHE A 309 3.336 5.289 -4.242 1.00 0.33 C ATOM 0 H PHE A 309 5.865 1.704 -6.725 1.00 0.22 H new ATOM 0 HA PHE A 309 7.822 3.794 -6.093 1.00 0.24 H new ATOM 0 HB2 PHE A 309 6.453 1.707 -4.340 1.00 0.28 H new ATOM 0 HB3 PHE A 309 7.476 3.009 -3.766 1.00 0.28 H new ATOM 0 HD1 PHE A 309 6.577 5.365 -5.158 1.00 0.29 H new ATOM 0 HD2 PHE A 309 4.270 2.102 -3.689 1.00 0.31 H new ATOM 0 HE1 PHE A 309 4.614 6.832 -4.989 1.00 0.33 H new ATOM 0 HE2 PHE A 309 2.305 3.562 -3.519 1.00 0.33 H new ATOM 0 HZ PHE A 309 2.472 5.933 -4.166 1.00 0.33 H new ATOM 922 N GLU A 310 8.726 0.940 -6.865 1.00 0.29 N ATOM 923 CA GLU A 310 9.830 -0.017 -6.957 1.00 0.33 C ATOM 924 C GLU A 310 11.184 0.686 -7.075 1.00 0.35 C ATOM 925 O GLU A 310 12.209 0.143 -6.665 1.00 0.47 O ATOM 926 CB GLU A 310 9.638 -0.948 -8.152 1.00 0.40 C ATOM 927 CG GLU A 310 8.633 -2.062 -7.910 1.00 0.54 C ATOM 928 CD GLU A 310 8.604 -3.071 -9.040 1.00 0.67 C ATOM 929 OE1 GLU A 310 8.224 -2.694 -10.167 1.00 1.04 O ATOM 930 OE2 GLU A 310 8.978 -4.241 -8.810 1.00 1.21 O ATOM 0 H GLU A 310 8.026 0.847 -7.601 1.00 0.29 H new ATOM 0 HA GLU A 310 9.824 -0.599 -6.036 1.00 0.33 H new ATOM 0 HB2 GLU A 310 9.313 -0.359 -9.010 1.00 0.40 H new ATOM 0 HB3 GLU A 310 10.599 -1.390 -8.414 1.00 0.40 H new ATOM 0 HG2 GLU A 310 8.877 -2.572 -6.978 1.00 0.54 H new ATOM 0 HG3 GLU A 310 7.640 -1.631 -7.786 1.00 0.54 H new ATOM 937 N ASN A 311 11.187 1.885 -7.637 1.00 0.35 N ATOM 938 CA ASN A 311 12.420 2.642 -7.798 1.00 0.41 C ATOM 939 C ASN A 311 12.380 3.921 -6.975 1.00 0.37 C ATOM 940 O ASN A 311 12.968 4.936 -7.351 1.00 0.48 O ATOM 941 CB ASN A 311 12.645 2.979 -9.270 1.00 0.54 C ATOM 942 CG ASN A 311 13.899 2.333 -9.827 1.00 0.89 C ATOM 943 OD1 ASN A 311 14.804 1.957 -9.083 1.00 1.27 O ATOM 944 ND2 ASN A 311 13.966 2.211 -11.142 1.00 1.32 N ATOM 0 H ASN A 311 10.352 2.354 -7.989 1.00 0.35 H new ATOM 0 HA ASN A 311 13.246 2.026 -7.442 1.00 0.41 H new ATOM 0 HB2 ASN A 311 11.783 2.652 -9.851 1.00 0.54 H new ATOM 0 HB3 ASN A 311 12.715 4.061 -9.386 1.00 0.54 H new ATOM 0 HD21 ASN A 311 14.790 1.792 -11.574 1.00 1.32 H new ATOM 0 HD22 ASN A 311 13.194 2.535 -11.724 1.00 1.32 H new ATOM 951 N MET A 312 11.685 3.869 -5.848 1.00 0.30 N ATOM 952 CA MET A 312 11.565 5.029 -4.979 1.00 0.28 C ATOM 953 C MET A 312 11.932 4.670 -3.545 1.00 0.26 C ATOM 954 O MET A 312 11.839 3.510 -3.146 1.00 0.34 O ATOM 955 CB MET A 312 10.141 5.603 -5.030 1.00 0.28 C ATOM 956 CG MET A 312 9.791 6.264 -6.357 1.00 0.39 C ATOM 957 SD MET A 312 8.134 6.979 -6.373 1.00 0.37 S ATOM 958 CE MET A 312 8.289 8.224 -5.094 1.00 0.51 C ATOM 0 H MET A 312 11.197 3.038 -5.515 1.00 0.30 H new ATOM 0 HA MET A 312 12.260 5.789 -5.337 1.00 0.28 H new ATOM 0 HB2 MET A 312 9.429 4.801 -4.835 1.00 0.28 H new ATOM 0 HB3 MET A 312 10.025 6.333 -4.229 1.00 0.28 H new ATOM 0 HG2 MET A 312 10.520 7.046 -6.571 1.00 0.39 H new ATOM 0 HG3 MET A 312 9.870 5.527 -7.156 1.00 0.39 H new ATOM 0 HE1 MET A 312 7.550 9.008 -5.258 1.00 0.51 H new ATOM 0 HE2 MET A 312 8.122 7.767 -4.119 1.00 0.51 H new ATOM 0 HE3 MET A 312 9.289 8.656 -5.126 1.00 0.51 H new ATOM 968 N SER A 313 12.371 5.664 -2.787 1.00 0.26 N ATOM 969 CA SER A 313 12.747 5.465 -1.395 1.00 0.28 C ATOM 970 C SER A 313 11.535 5.061 -0.552 1.00 0.24 C ATOM 971 O SER A 313 10.404 5.455 -0.851 1.00 0.26 O ATOM 972 CB SER A 313 13.363 6.751 -0.850 1.00 0.36 C ATOM 973 OG SER A 313 13.448 7.733 -1.874 1.00 0.97 O ATOM 0 H SER A 313 12.476 6.624 -3.116 1.00 0.26 H new ATOM 0 HA SER A 313 13.477 4.657 -1.340 1.00 0.28 H new ATOM 0 HB2 SER A 313 12.760 7.129 -0.024 1.00 0.36 H new ATOM 0 HB3 SER A 313 14.356 6.545 -0.451 1.00 0.36 H new ATOM 0 HG SER A 313 12.841 8.474 -1.668 1.00 0.97 H new ATOM 979 N ASN A 314 11.779 4.283 0.506 1.00 0.26 N ATOM 980 CA ASN A 314 10.713 3.813 1.395 1.00 0.27 C ATOM 981 C ASN A 314 9.847 4.971 1.885 1.00 0.25 C ATOM 982 O ASN A 314 8.620 4.904 1.836 1.00 0.33 O ATOM 983 CB ASN A 314 11.294 3.081 2.614 1.00 0.35 C ATOM 984 CG ASN A 314 11.956 1.759 2.275 1.00 0.37 C ATOM 985 OD1 ASN A 314 11.662 1.133 1.258 1.00 0.45 O ATOM 986 ND2 ASN A 314 12.851 1.319 3.144 1.00 0.48 N ATOM 0 H ASN A 314 12.711 3.964 0.769 1.00 0.26 H new ATOM 0 HA ASN A 314 10.098 3.125 0.815 1.00 0.27 H new ATOM 0 HB2 ASN A 314 12.024 3.728 3.101 1.00 0.35 H new ATOM 0 HB3 ASN A 314 10.495 2.903 3.334 1.00 0.35 H new ATOM 0 HD21 ASN A 314 13.325 0.431 2.982 1.00 0.48 H new ATOM 0 HD22 ASN A 314 13.067 1.868 3.976 1.00 0.48 H new ATOM 993 N ASP A 315 10.496 6.032 2.351 1.00 0.26 N ATOM 994 CA ASP A 315 9.787 7.203 2.862 1.00 0.28 C ATOM 995 C ASP A 315 8.944 7.866 1.781 1.00 0.23 C ATOM 996 O ASP A 315 7.773 8.179 2.001 1.00 0.24 O ATOM 997 CB ASP A 315 10.772 8.216 3.443 1.00 0.37 C ATOM 998 CG ASP A 315 11.056 7.969 4.909 1.00 0.83 C ATOM 999 OD1 ASP A 315 10.255 8.406 5.757 1.00 1.36 O ATOM 1000 OD2 ASP A 315 12.083 7.337 5.222 1.00 1.40 O ATOM 0 H ASP A 315 11.513 6.107 2.386 1.00 0.26 H new ATOM 0 HA ASP A 315 9.118 6.858 3.650 1.00 0.28 H new ATOM 0 HB2 ASP A 315 11.706 8.173 2.883 1.00 0.37 H new ATOM 0 HB3 ASP A 315 10.371 9.222 3.318 1.00 0.37 H new ATOM 1005 N ASP A 316 9.535 8.055 0.608 1.00 0.23 N ATOM 1006 CA ASP A 316 8.842 8.693 -0.509 1.00 0.24 C ATOM 1007 C ASP A 316 7.664 7.847 -0.968 1.00 0.19 C ATOM 1008 O ASP A 316 6.654 8.375 -1.433 1.00 0.20 O ATOM 1009 CB ASP A 316 9.803 8.950 -1.672 1.00 0.32 C ATOM 1010 CG ASP A 316 10.760 10.088 -1.382 1.00 0.50 C ATOM 1011 OD1 ASP A 316 10.295 11.173 -0.977 1.00 0.69 O ATOM 1012 OD2 ASP A 316 11.983 9.897 -1.546 1.00 0.88 O ATOM 0 H ASP A 316 10.494 7.776 0.403 1.00 0.23 H new ATOM 0 HA ASP A 316 8.460 9.654 -0.163 1.00 0.24 H new ATOM 0 HB2 ASP A 316 10.371 8.043 -1.879 1.00 0.32 H new ATOM 0 HB3 ASP A 316 9.230 9.179 -2.571 1.00 0.32 H new ATOM 1017 N ALA A 317 7.795 6.538 -0.815 1.00 0.17 N ATOM 1018 CA ALA A 317 6.741 5.612 -1.196 1.00 0.16 C ATOM 1019 C ALA A 317 5.472 5.870 -0.383 1.00 0.14 C ATOM 1020 O ALA A 317 4.382 5.973 -0.943 1.00 0.17 O ATOM 1021 CB ALA A 317 7.213 4.177 -1.018 1.00 0.20 C ATOM 0 H ALA A 317 8.626 6.092 -0.427 1.00 0.17 H new ATOM 0 HA ALA A 317 6.504 5.771 -2.248 1.00 0.16 H new ATOM 0 HB1 ALA A 317 6.415 3.493 -1.307 1.00 0.20 H new ATOM 0 HB2 ALA A 317 8.087 4.001 -1.646 1.00 0.20 H new ATOM 0 HB3 ALA A 317 7.476 4.007 0.026 1.00 0.20 H new ATOM 1027 N VAL A 318 5.623 6.006 0.935 1.00 0.12 N ATOM 1028 CA VAL A 318 4.472 6.257 1.805 1.00 0.12 C ATOM 1029 C VAL A 318 3.961 7.680 1.618 1.00 0.11 C ATOM 1030 O VAL A 318 2.764 7.940 1.749 1.00 0.14 O ATOM 1031 CB VAL A 318 4.783 6.026 3.302 1.00 0.15 C ATOM 1032 CG1 VAL A 318 3.517 5.614 4.036 1.00 0.18 C ATOM 1033 CG2 VAL A 318 5.874 4.980 3.487 1.00 0.21 C ATOM 0 H VAL A 318 6.519 5.948 1.419 1.00 0.12 H new ATOM 0 HA VAL A 318 3.708 5.538 1.510 1.00 0.12 H new ATOM 0 HB VAL A 318 5.150 6.962 3.723 1.00 0.15 H new ATOM 0 HG11 VAL A 318 3.744 5.453 5.090 1.00 0.18 H new ATOM 0 HG12 VAL A 318 2.769 6.401 3.942 1.00 0.18 H new ATOM 0 HG13 VAL A 318 3.129 4.692 3.603 1.00 0.18 H new ATOM 0 HG21 VAL A 318 6.069 4.841 4.550 1.00 0.21 H new ATOM 0 HG22 VAL A 318 5.550 4.035 3.051 1.00 0.21 H new ATOM 0 HG23 VAL A 318 6.786 5.314 2.992 1.00 0.21 H new ATOM 1043 N ARG A 319 4.876 8.594 1.305 1.00 0.12 N ATOM 1044 CA ARG A 319 4.524 9.993 1.083 1.00 0.16 C ATOM 1045 C ARG A 319 3.474 10.105 -0.015 1.00 0.14 C ATOM 1046 O ARG A 319 2.407 10.688 0.188 1.00 0.22 O ATOM 1047 CB ARG A 319 5.763 10.810 0.703 1.00 0.21 C ATOM 1048 CG ARG A 319 6.614 11.227 1.890 1.00 0.35 C ATOM 1049 CD ARG A 319 7.950 11.804 1.441 1.00 0.40 C ATOM 1050 NE ARG A 319 8.669 12.451 2.534 1.00 0.50 N ATOM 1051 CZ ARG A 319 9.928 12.888 2.441 1.00 0.61 C ATOM 1052 NH1 ARG A 319 10.622 12.708 1.323 1.00 0.83 N ATOM 1053 NH2 ARG A 319 10.499 13.488 3.478 1.00 0.81 N ATOM 0 H ARG A 319 5.870 8.389 1.199 1.00 0.12 H new ATOM 0 HA ARG A 319 4.114 10.392 2.011 1.00 0.16 H new ATOM 0 HB2 ARG A 319 6.376 10.225 0.017 1.00 0.21 H new ATOM 0 HB3 ARG A 319 5.446 11.703 0.164 1.00 0.21 H new ATOM 0 HG2 ARG A 319 6.077 11.968 2.482 1.00 0.35 H new ATOM 0 HG3 ARG A 319 6.786 10.366 2.536 1.00 0.35 H new ATOM 0 HD2 ARG A 319 8.566 11.007 1.025 1.00 0.40 H new ATOM 0 HD3 ARG A 319 7.781 12.526 0.642 1.00 0.40 H new ATOM 0 HE ARG A 319 8.182 12.577 3.421 1.00 0.50 H new ATOM 0 HH11 ARG A 319 10.194 12.233 0.528 1.00 0.83 H new ATOM 0 HH12 ARG A 319 11.583 13.044 1.259 1.00 0.83 H new ATOM 0 HH21 ARG A 319 9.977 13.615 4.345 1.00 0.81 H new ATOM 0 HH22 ARG A 319 11.460 13.822 3.408 1.00 0.81 H new ATOM 1067 N VAL A 320 3.772 9.520 -1.170 1.00 0.10 N ATOM 1068 CA VAL A 320 2.850 9.545 -2.299 1.00 0.10 C ATOM 1069 C VAL A 320 1.629 8.673 -2.008 1.00 0.09 C ATOM 1070 O VAL A 320 0.505 9.018 -2.370 1.00 0.11 O ATOM 1071 CB VAL A 320 3.528 9.060 -3.598 1.00 0.14 C ATOM 1072 CG1 VAL A 320 2.603 9.241 -4.794 1.00 0.17 C ATOM 1073 CG2 VAL A 320 4.841 9.795 -3.825 1.00 0.17 C ATOM 0 H VAL A 320 4.645 9.023 -1.349 1.00 0.10 H new ATOM 0 HA VAL A 320 2.537 10.580 -2.440 1.00 0.10 H new ATOM 0 HB VAL A 320 3.741 7.997 -3.490 1.00 0.14 H new ATOM 0 HG11 VAL A 320 3.104 8.892 -5.697 1.00 0.17 H new ATOM 0 HG12 VAL A 320 1.691 8.665 -4.639 1.00 0.17 H new ATOM 0 HG13 VAL A 320 2.352 10.296 -4.903 1.00 0.17 H new ATOM 0 HG21 VAL A 320 5.303 9.439 -4.746 1.00 0.17 H new ATOM 0 HG22 VAL A 320 4.650 10.865 -3.906 1.00 0.17 H new ATOM 0 HG23 VAL A 320 5.512 9.609 -2.987 1.00 0.17 H new ATOM 1083 N LEU A 321 1.863 7.551 -1.331 1.00 0.08 N ATOM 1084 CA LEU A 321 0.796 6.618 -0.979 1.00 0.09 C ATOM 1085 C LEU A 321 -0.309 7.316 -0.194 1.00 0.09 C ATOM 1086 O LEU A 321 -1.486 7.213 -0.539 1.00 0.10 O ATOM 1087 CB LEU A 321 1.348 5.469 -0.136 1.00 0.11 C ATOM 1088 CG LEU A 321 0.406 4.279 0.034 1.00 0.20 C ATOM 1089 CD1 LEU A 321 0.357 3.453 -1.236 1.00 0.38 C ATOM 1090 CD2 LEU A 321 0.841 3.424 1.208 1.00 0.29 C ATOM 0 H LEU A 321 2.789 7.265 -1.013 1.00 0.08 H new ATOM 0 HA LEU A 321 0.382 6.229 -1.910 1.00 0.09 H new ATOM 0 HB2 LEU A 321 2.274 5.117 -0.591 1.00 0.11 H new ATOM 0 HB3 LEU A 321 1.604 5.854 0.851 1.00 0.11 H new ATOM 0 HG LEU A 321 -0.596 4.658 0.235 1.00 0.20 H new ATOM 0 HD11 LEU A 321 -0.319 2.610 -1.096 1.00 0.38 H new ATOM 0 HD12 LEU A 321 -0.001 4.072 -2.059 1.00 0.38 H new ATOM 0 HD13 LEU A 321 1.356 3.083 -1.468 1.00 0.38 H new ATOM 0 HD21 LEU A 321 0.160 2.580 1.316 1.00 0.29 H new ATOM 0 HD22 LEU A 321 1.852 3.054 1.034 1.00 0.29 H new ATOM 0 HD23 LEU A 321 0.825 4.022 2.119 1.00 0.29 H new ATOM 1102 N ARG A 322 0.078 8.031 0.856 1.00 0.10 N ATOM 1103 CA ARG A 322 -0.881 8.730 1.699 1.00 0.12 C ATOM 1104 C ARG A 322 -1.644 9.782 0.905 1.00 0.13 C ATOM 1105 O ARG A 322 -2.832 9.999 1.141 1.00 0.21 O ATOM 1106 CB ARG A 322 -0.181 9.356 2.905 1.00 0.15 C ATOM 1107 CG ARG A 322 0.406 8.318 3.851 1.00 0.19 C ATOM 1108 CD ARG A 322 0.857 8.939 5.163 1.00 0.34 C ATOM 1109 NE ARG A 322 -0.206 9.714 5.810 1.00 0.49 N ATOM 1110 CZ ARG A 322 -0.109 11.012 6.104 1.00 1.05 C ATOM 1111 NH1 ARG A 322 1.000 11.686 5.810 1.00 1.57 N ATOM 1112 NH2 ARG A 322 -1.123 11.634 6.694 1.00 1.28 N ATOM 0 H ARG A 322 1.051 8.141 1.143 1.00 0.10 H new ATOM 0 HA ARG A 322 -1.604 8.001 2.065 1.00 0.12 H new ATOM 0 HB2 ARG A 322 0.615 10.014 2.556 1.00 0.15 H new ATOM 0 HB3 ARG A 322 -0.892 9.977 3.450 1.00 0.15 H new ATOM 0 HG2 ARG A 322 -0.338 7.547 4.051 1.00 0.19 H new ATOM 0 HG3 ARG A 322 1.253 7.827 3.371 1.00 0.19 H new ATOM 0 HD2 ARG A 322 1.191 8.151 5.838 1.00 0.34 H new ATOM 0 HD3 ARG A 322 1.714 9.586 4.979 1.00 0.34 H new ATOM 0 HE ARG A 322 -1.072 9.232 6.050 1.00 0.49 H new ATOM 0 HH11 ARG A 322 1.781 11.211 5.358 1.00 1.57 H new ATOM 0 HH12 ARG A 322 1.069 12.678 6.037 1.00 1.57 H new ATOM 0 HH21 ARG A 322 -1.974 11.120 6.922 1.00 1.28 H new ATOM 0 HH22 ARG A 322 -1.051 12.626 6.920 1.00 1.28 H new ATOM 1126 N GLU A 323 -0.967 10.414 -0.044 1.00 0.12 N ATOM 1127 CA GLU A 323 -1.598 11.423 -0.889 1.00 0.15 C ATOM 1128 C GLU A 323 -2.690 10.780 -1.742 1.00 0.14 C ATOM 1129 O GLU A 323 -3.770 11.341 -1.922 1.00 0.21 O ATOM 1130 CB GLU A 323 -0.556 12.095 -1.788 1.00 0.20 C ATOM 1131 CG GLU A 323 0.340 13.076 -1.057 1.00 0.62 C ATOM 1132 CD GLU A 323 -0.383 14.344 -0.655 1.00 1.27 C ATOM 1133 OE1 GLU A 323 -1.239 14.818 -1.430 1.00 1.76 O ATOM 1134 OE2 GLU A 323 -0.087 14.884 0.434 1.00 1.87 O ATOM 0 H GLU A 323 0.018 10.247 -0.249 1.00 0.12 H new ATOM 0 HA GLU A 323 -2.047 12.183 -0.250 1.00 0.15 H new ATOM 0 HB2 GLU A 323 0.063 11.325 -2.249 1.00 0.20 H new ATOM 0 HB3 GLU A 323 -1.069 12.618 -2.595 1.00 0.20 H new ATOM 0 HG2 GLU A 323 0.745 12.596 -0.166 1.00 0.62 H new ATOM 0 HG3 GLU A 323 1.186 13.332 -1.694 1.00 0.62 H new ATOM 1141 N ILE A 324 -2.396 9.589 -2.249 1.00 0.12 N ATOM 1142 CA ILE A 324 -3.336 8.845 -3.081 1.00 0.14 C ATOM 1143 C ILE A 324 -4.518 8.348 -2.253 1.00 0.14 C ATOM 1144 O ILE A 324 -5.667 8.434 -2.681 1.00 0.18 O ATOM 1145 CB ILE A 324 -2.647 7.647 -3.767 1.00 0.18 C ATOM 1146 CG1 ILE A 324 -1.525 8.139 -4.680 1.00 0.21 C ATOM 1147 CG2 ILE A 324 -3.654 6.829 -4.562 1.00 0.23 C ATOM 1148 CD1 ILE A 324 -0.648 7.032 -5.219 1.00 0.29 C ATOM 0 H ILE A 324 -1.506 9.114 -2.097 1.00 0.12 H new ATOM 0 HA ILE A 324 -3.700 9.527 -3.850 1.00 0.14 H new ATOM 0 HB ILE A 324 -2.220 7.006 -2.996 1.00 0.18 H new ATOM 0 HG12 ILE A 324 -1.962 8.683 -5.517 1.00 0.21 H new ATOM 0 HG13 ILE A 324 -0.905 8.846 -4.129 1.00 0.21 H new ATOM 0 HG21 ILE A 324 -3.147 5.990 -5.037 1.00 0.23 H new ATOM 0 HG22 ILE A 324 -4.427 6.453 -3.892 1.00 0.23 H new ATOM 0 HG23 ILE A 324 -4.110 7.457 -5.327 1.00 0.23 H new ATOM 0 HD11 ILE A 324 0.125 7.459 -5.858 1.00 0.29 H new ATOM 0 HD12 ILE A 324 -0.181 6.501 -4.389 1.00 0.29 H new ATOM 0 HD13 ILE A 324 -1.255 6.336 -5.799 1.00 0.29 H new ATOM 1160 N VAL A 325 -4.231 7.845 -1.055 1.00 0.11 N ATOM 1161 CA VAL A 325 -5.277 7.344 -0.168 1.00 0.13 C ATOM 1162 C VAL A 325 -6.178 8.491 0.291 1.00 0.16 C ATOM 1163 O VAL A 325 -7.343 8.290 0.635 1.00 0.24 O ATOM 1164 CB VAL A 325 -4.687 6.601 1.059 1.00 0.15 C ATOM 1165 CG1 VAL A 325 -5.798 6.089 1.967 1.00 0.19 C ATOM 1166 CG2 VAL A 325 -3.806 5.451 0.604 1.00 0.16 C ATOM 0 H VAL A 325 -3.286 7.774 -0.677 1.00 0.11 H new ATOM 0 HA VAL A 325 -5.870 6.626 -0.734 1.00 0.13 H new ATOM 0 HB VAL A 325 -4.080 7.306 1.627 1.00 0.15 H new ATOM 0 HG11 VAL A 325 -5.361 5.571 2.821 1.00 0.19 H new ATOM 0 HG12 VAL A 325 -6.396 6.929 2.320 1.00 0.19 H new ATOM 0 HG13 VAL A 325 -6.433 5.399 1.411 1.00 0.19 H new ATOM 0 HG21 VAL A 325 -3.398 4.938 1.475 1.00 0.16 H new ATOM 0 HG22 VAL A 325 -4.398 4.751 0.014 1.00 0.16 H new ATOM 0 HG23 VAL A 325 -2.989 5.838 -0.005 1.00 0.16 H new ATOM 1176 N SER A 326 -5.637 9.700 0.262 1.00 0.19 N ATOM 1177 CA SER A 326 -6.387 10.879 0.660 1.00 0.24 C ATOM 1178 C SER A 326 -7.201 11.429 -0.514 1.00 0.27 C ATOM 1179 O SER A 326 -7.813 12.493 -0.414 1.00 0.44 O ATOM 1180 CB SER A 326 -5.438 11.953 1.195 1.00 0.32 C ATOM 1181 OG SER A 326 -4.704 11.472 2.315 1.00 0.37 O ATOM 0 H SER A 326 -4.679 9.889 -0.034 1.00 0.19 H new ATOM 0 HA SER A 326 -7.080 10.593 1.452 1.00 0.24 H new ATOM 0 HB2 SER A 326 -4.749 12.259 0.408 1.00 0.32 H new ATOM 0 HB3 SER A 326 -6.008 12.837 1.481 1.00 0.32 H new ATOM 0 HG SER A 326 -3.839 11.123 2.014 1.00 0.37 H new ATOM 1187 N GLN A 327 -7.209 10.697 -1.618 1.00 0.27 N ATOM 1188 CA GLN A 327 -7.949 11.106 -2.801 1.00 0.32 C ATOM 1189 C GLN A 327 -9.202 10.254 -2.952 1.00 0.34 C ATOM 1190 O GLN A 327 -9.160 9.035 -2.783 1.00 0.53 O ATOM 1191 CB GLN A 327 -7.072 10.980 -4.048 1.00 0.41 C ATOM 1192 CG GLN A 327 -7.160 12.178 -4.977 1.00 0.63 C ATOM 1193 CD GLN A 327 -6.763 13.469 -4.293 1.00 0.75 C ATOM 1194 OE1 GLN A 327 -7.604 14.173 -3.737 1.00 1.16 O ATOM 1195 NE2 GLN A 327 -5.478 13.784 -4.317 1.00 0.94 N ATOM 0 H GLN A 327 -6.709 9.814 -1.719 1.00 0.27 H new ATOM 0 HA GLN A 327 -8.242 12.150 -2.687 1.00 0.32 H new ATOM 0 HB2 GLN A 327 -6.035 10.845 -3.740 1.00 0.41 H new ATOM 0 HB3 GLN A 327 -7.361 10.084 -4.596 1.00 0.41 H new ATOM 0 HG2 GLN A 327 -6.514 12.014 -5.840 1.00 0.63 H new ATOM 0 HG3 GLN A 327 -8.179 12.268 -5.354 1.00 0.63 H new ATOM 0 HE21 GLN A 327 -4.812 13.173 -4.789 1.00 0.94 H new ATOM 0 HE22 GLN A 327 -5.154 14.638 -3.863 1.00 0.94 H new ATOM 1204 N THR A 328 -10.315 10.900 -3.256 1.00 0.42 N ATOM 1205 CA THR A 328 -11.580 10.204 -3.422 1.00 0.49 C ATOM 1206 C THR A 328 -11.671 9.522 -4.786 1.00 0.51 C ATOM 1207 O THR A 328 -12.079 10.136 -5.775 1.00 0.84 O ATOM 1208 CB THR A 328 -12.752 11.181 -3.249 1.00 0.66 C ATOM 1209 OG1 THR A 328 -12.317 12.517 -3.550 1.00 0.88 O ATOM 1210 CG2 THR A 328 -13.296 11.126 -1.830 1.00 0.89 C ATOM 0 H THR A 328 -10.368 11.909 -3.393 1.00 0.42 H new ATOM 0 HA THR A 328 -11.635 9.433 -2.654 1.00 0.49 H new ATOM 0 HB THR A 328 -13.548 10.892 -3.935 1.00 0.66 H new ATOM 0 HG1 THR A 328 -13.067 13.138 -3.440 1.00 0.88 H new ATOM 0 HG21 THR A 328 -14.125 11.826 -1.731 1.00 0.89 H new ATOM 0 HG22 THR A 328 -13.645 10.117 -1.613 1.00 0.89 H new ATOM 0 HG23 THR A 328 -12.508 11.396 -1.127 1.00 0.89 H new ATOM 1218 N GLY A 329 -11.266 8.262 -4.837 1.00 0.45 N ATOM 1219 CA GLY A 329 -11.317 7.509 -6.073 1.00 0.44 C ATOM 1220 C GLY A 329 -10.949 6.059 -5.853 1.00 0.39 C ATOM 1221 O GLY A 329 -10.544 5.690 -4.752 1.00 0.43 O ATOM 0 H GLY A 329 -10.900 7.744 -4.038 1.00 0.45 H new ATOM 0 HA2 GLY A 329 -12.319 7.571 -6.497 1.00 0.44 H new ATOM 0 HA3 GLY A 329 -10.636 7.952 -6.799 1.00 0.44 H new ATOM 1225 N PRO A 330 -11.110 5.201 -6.871 1.00 0.40 N ATOM 1226 CA PRO A 330 -10.771 3.780 -6.760 1.00 0.39 C ATOM 1227 C PRO A 330 -9.263 3.569 -6.656 1.00 0.36 C ATOM 1228 O PRO A 330 -8.494 4.044 -7.496 1.00 0.56 O ATOM 1229 CB PRO A 330 -11.321 3.176 -8.056 1.00 0.47 C ATOM 1230 CG PRO A 330 -11.385 4.306 -9.022 1.00 0.58 C ATOM 1231 CD PRO A 330 -11.637 5.545 -8.205 1.00 0.52 C ATOM 0 HA PRO A 330 -11.188 3.321 -5.864 1.00 0.39 H new ATOM 0 HB2 PRO A 330 -10.674 2.380 -8.424 1.00 0.47 H new ATOM 0 HB3 PRO A 330 -12.306 2.738 -7.898 1.00 0.47 H new ATOM 0 HG2 PRO A 330 -10.454 4.392 -9.582 1.00 0.58 H new ATOM 0 HG3 PRO A 330 -12.182 4.151 -9.750 1.00 0.58 H new ATOM 0 HD2 PRO A 330 -11.127 6.412 -8.625 1.00 0.52 H new ATOM 0 HD3 PRO A 330 -12.699 5.789 -8.165 1.00 0.52 H new ATOM 1239 N ILE A 331 -8.839 2.860 -5.624 1.00 0.27 N ATOM 1240 CA ILE A 331 -7.423 2.615 -5.413 1.00 0.25 C ATOM 1241 C ILE A 331 -7.034 1.200 -5.827 1.00 0.25 C ATOM 1242 O ILE A 331 -7.599 0.221 -5.341 1.00 0.30 O ATOM 1243 CB ILE A 331 -7.018 2.848 -3.942 1.00 0.29 C ATOM 1244 CG1 ILE A 331 -7.361 4.279 -3.518 1.00 0.31 C ATOM 1245 CG2 ILE A 331 -5.531 2.575 -3.749 1.00 0.37 C ATOM 1246 CD1 ILE A 331 -6.989 4.596 -2.085 1.00 0.35 C ATOM 0 H ILE A 331 -9.452 2.446 -4.922 1.00 0.27 H new ATOM 0 HA ILE A 331 -6.888 3.327 -6.041 1.00 0.25 H new ATOM 0 HB ILE A 331 -7.578 2.156 -3.313 1.00 0.29 H new ATOM 0 HG12 ILE A 331 -6.848 4.977 -4.180 1.00 0.31 H new ATOM 0 HG13 ILE A 331 -8.431 4.441 -3.651 1.00 0.31 H new ATOM 0 HG21 ILE A 331 -5.262 2.744 -2.706 1.00 0.37 H new ATOM 0 HG22 ILE A 331 -5.313 1.541 -4.017 1.00 0.37 H new ATOM 0 HG23 ILE A 331 -4.953 3.244 -4.386 1.00 0.37 H new ATOM 0 HD11 ILE A 331 -7.262 5.626 -1.858 1.00 0.35 H new ATOM 0 HD12 ILE A 331 -7.522 3.923 -1.413 1.00 0.35 H new ATOM 0 HD13 ILE A 331 -5.915 4.467 -1.951 1.00 0.35 H new ATOM 1258 N SER A 332 -6.082 1.105 -6.742 1.00 0.28 N ATOM 1259 CA SER A 332 -5.597 -0.181 -7.201 1.00 0.31 C ATOM 1260 C SER A 332 -4.213 -0.439 -6.627 1.00 0.27 C ATOM 1261 O SER A 332 -3.291 0.359 -6.819 1.00 0.31 O ATOM 1262 CB SER A 332 -5.573 -0.245 -8.731 1.00 0.41 C ATOM 1263 OG SER A 332 -6.527 -1.180 -9.207 1.00 1.09 O ATOM 0 H SER A 332 -5.631 1.908 -7.181 1.00 0.28 H new ATOM 0 HA SER A 332 -6.277 -0.958 -6.851 1.00 0.31 H new ATOM 0 HB2 SER A 332 -5.784 0.741 -9.145 1.00 0.41 H new ATOM 0 HB3 SER A 332 -4.577 -0.527 -9.073 1.00 0.41 H new ATOM 0 HG SER A 332 -6.637 -1.898 -8.550 1.00 1.09 H new ATOM 1269 N LEU A 333 -4.082 -1.534 -5.897 1.00 0.27 N ATOM 1270 CA LEU A 333 -2.817 -1.891 -5.280 1.00 0.26 C ATOM 1271 C LEU A 333 -2.185 -3.083 -5.983 1.00 0.26 C ATOM 1272 O LEU A 333 -2.784 -4.156 -6.068 1.00 0.30 O ATOM 1273 CB LEU A 333 -3.018 -2.219 -3.799 1.00 0.29 C ATOM 1274 CG LEU A 333 -3.740 -1.146 -2.981 1.00 0.27 C ATOM 1275 CD1 LEU A 333 -4.251 -1.723 -1.674 1.00 0.48 C ATOM 1276 CD2 LEU A 333 -2.820 0.029 -2.706 1.00 0.39 C ATOM 0 H LEU A 333 -4.840 -2.193 -5.717 1.00 0.27 H new ATOM 0 HA LEU A 333 -2.149 -1.035 -5.372 1.00 0.26 H new ATOM 0 HB2 LEU A 333 -3.581 -3.149 -3.724 1.00 0.29 H new ATOM 0 HB3 LEU A 333 -2.042 -2.400 -3.349 1.00 0.29 H new ATOM 0 HG LEU A 333 -4.591 -0.794 -3.564 1.00 0.27 H new ATOM 0 HD11 LEU A 333 -4.761 -0.944 -1.107 1.00 0.48 H new ATOM 0 HD12 LEU A 333 -4.947 -2.535 -1.882 1.00 0.48 H new ATOM 0 HD13 LEU A 333 -3.412 -2.105 -1.092 1.00 0.48 H new ATOM 0 HD21 LEU A 333 -3.353 0.780 -2.123 1.00 0.39 H new ATOM 0 HD22 LEU A 333 -1.950 -0.314 -2.147 1.00 0.39 H new ATOM 0 HD23 LEU A 333 -2.495 0.466 -3.650 1.00 0.39 H new ATOM 1288 N THR A 334 -0.985 -2.884 -6.498 1.00 0.24 N ATOM 1289 CA THR A 334 -0.253 -3.942 -7.170 1.00 0.26 C ATOM 1290 C THR A 334 0.771 -4.516 -6.201 1.00 0.26 C ATOM 1291 O THR A 334 1.860 -3.961 -6.029 1.00 0.28 O ATOM 1292 CB THR A 334 0.451 -3.415 -8.434 1.00 0.31 C ATOM 1293 OG1 THR A 334 -0.291 -2.312 -8.973 1.00 0.50 O ATOM 1294 CG2 THR A 334 0.568 -4.503 -9.485 1.00 0.42 C ATOM 0 H THR A 334 -0.493 -1.991 -6.463 1.00 0.24 H new ATOM 0 HA THR A 334 -0.952 -4.718 -7.482 1.00 0.26 H new ATOM 0 HB THR A 334 1.454 -3.090 -8.157 1.00 0.31 H new ATOM 0 HG1 THR A 334 -0.119 -1.509 -8.438 1.00 0.50 H new ATOM 0 HG21 THR A 334 1.069 -4.104 -10.367 1.00 0.42 H new ATOM 0 HG22 THR A 334 1.147 -5.335 -9.084 1.00 0.42 H new ATOM 0 HG23 THR A 334 -0.427 -4.852 -9.760 1.00 0.42 H new ATOM 1302 N VAL A 335 0.405 -5.603 -5.542 1.00 0.26 N ATOM 1303 CA VAL A 335 1.279 -6.222 -4.554 1.00 0.28 C ATOM 1304 C VAL A 335 2.027 -7.422 -5.113 1.00 0.28 C ATOM 1305 O VAL A 335 1.548 -8.120 -6.010 1.00 0.32 O ATOM 1306 CB VAL A 335 0.491 -6.665 -3.301 1.00 0.30 C ATOM 1307 CG1 VAL A 335 0.055 -5.459 -2.485 1.00 0.33 C ATOM 1308 CG2 VAL A 335 -0.710 -7.514 -3.689 1.00 0.31 C ATOM 0 H VAL A 335 -0.489 -6.076 -5.672 1.00 0.26 H new ATOM 0 HA VAL A 335 2.005 -5.457 -4.278 1.00 0.28 H new ATOM 0 HB VAL A 335 1.152 -7.274 -2.684 1.00 0.30 H new ATOM 0 HG11 VAL A 335 -0.498 -5.794 -1.608 1.00 0.33 H new ATOM 0 HG12 VAL A 335 0.934 -4.898 -2.167 1.00 0.33 H new ATOM 0 HG13 VAL A 335 -0.584 -4.819 -3.094 1.00 0.33 H new ATOM 0 HG21 VAL A 335 -1.249 -7.814 -2.790 1.00 0.31 H new ATOM 0 HG22 VAL A 335 -1.372 -6.935 -4.333 1.00 0.31 H new ATOM 0 HG23 VAL A 335 -0.371 -8.402 -4.222 1.00 0.31 H new ATOM 1318 N ALA A 336 3.215 -7.641 -4.572 1.00 0.28 N ATOM 1319 CA ALA A 336 4.049 -8.761 -4.958 1.00 0.31 C ATOM 1320 C ALA A 336 3.951 -9.836 -3.892 1.00 0.33 C ATOM 1321 O ALA A 336 4.643 -9.781 -2.872 1.00 0.38 O ATOM 1322 CB ALA A 336 5.493 -8.323 -5.151 1.00 0.34 C ATOM 0 H ALA A 336 3.626 -7.045 -3.853 1.00 0.28 H new ATOM 0 HA ALA A 336 3.700 -9.160 -5.910 1.00 0.31 H new ATOM 0 HB1 ALA A 336 6.098 -9.182 -5.440 1.00 0.34 H new ATOM 0 HB2 ALA A 336 5.542 -7.565 -5.933 1.00 0.34 H new ATOM 0 HB3 ALA A 336 5.875 -7.908 -4.218 1.00 0.34 H new ATOM 1328 N LYS A 337 3.061 -10.783 -4.113 1.00 0.36 N ATOM 1329 CA LYS A 337 2.849 -11.863 -3.171 1.00 0.40 C ATOM 1330 C LYS A 337 3.892 -12.955 -3.360 1.00 0.47 C ATOM 1331 O LYS A 337 4.261 -13.237 -4.522 1.00 0.60 O ATOM 1332 CB LYS A 337 1.444 -12.437 -3.331 1.00 0.41 C ATOM 1333 CG LYS A 337 0.347 -11.389 -3.225 1.00 0.37 C ATOM 1334 CD LYS A 337 -1.034 -12.023 -3.192 1.00 0.41 C ATOM 1335 CE LYS A 337 -1.227 -12.881 -1.953 1.00 0.39 C ATOM 1336 NZ LYS A 337 -1.066 -12.108 -0.695 1.00 0.38 N ATOM 1337 OXT LYS A 337 4.350 -13.520 -2.349 1.00 0.70 O ATOM 0 H LYS A 337 2.469 -10.826 -4.943 1.00 0.36 H new ATOM 0 HA LYS A 337 2.951 -11.463 -2.162 1.00 0.40 H new ATOM 0 HB2 LYS A 337 1.370 -12.933 -4.299 1.00 0.41 H new ATOM 0 HB3 LYS A 337 1.282 -13.200 -2.569 1.00 0.41 H new ATOM 0 HG2 LYS A 337 0.497 -10.795 -2.323 1.00 0.37 H new ATOM 0 HG3 LYS A 337 0.414 -10.705 -4.071 1.00 0.37 H new ATOM 0 HD2 LYS A 337 -1.794 -11.242 -3.216 1.00 0.41 H new ATOM 0 HD3 LYS A 337 -1.176 -12.634 -4.084 1.00 0.41 H new ATOM 0 HE2 LYS A 337 -2.221 -13.328 -1.976 1.00 0.39 H new ATOM 0 HE3 LYS A 337 -0.508 -13.700 -1.967 1.00 0.39 H new ATOM 0 HZ1 LYS A 337 -1.418 -12.671 0.106 1.00 0.38 H new ATOM 0 HZ2 LYS A 337 -0.060 -11.889 -0.548 1.00 0.38 H new ATOM 0 HZ3 LYS A 337 -1.607 -11.222 -0.760 1.00 0.38 H new ATOM 1369 N TRP B 2 0.749 5.012 8.000 1.00 0.14 N ATOM 1370 CA TRP B 2 -0.531 4.348 8.250 1.00 0.13 C ATOM 1371 C TRP B 2 -1.633 4.998 7.430 1.00 0.14 C ATOM 1372 O TRP B 2 -1.814 6.217 7.486 1.00 0.23 O ATOM 1373 CB TRP B 2 -0.902 4.441 9.737 1.00 0.19 C ATOM 1374 CG TRP B 2 -0.382 3.317 10.579 1.00 0.21 C ATOM 1375 CD1 TRP B 2 0.904 3.131 10.992 1.00 0.30 C ATOM 1376 CD2 TRP B 2 -1.141 2.233 11.129 1.00 0.24 C ATOM 1377 NE1 TRP B 2 0.993 1.996 11.759 1.00 0.32 N ATOM 1378 CE2 TRP B 2 -0.247 1.426 11.858 1.00 0.28 C ATOM 1379 CE3 TRP B 2 -2.488 1.863 11.075 1.00 0.32 C ATOM 1380 CZ2 TRP B 2 -0.657 0.277 12.529 1.00 0.33 C ATOM 1381 CZ3 TRP B 2 -2.891 0.722 11.741 1.00 0.40 C ATOM 1382 CH2 TRP B 2 -1.979 -0.060 12.458 1.00 0.39 C ATOM 0 HA TRP B 2 -0.429 3.301 7.963 1.00 0.13 H new ATOM 0 HB2 TRP B 2 -0.522 5.382 10.135 1.00 0.19 H new ATOM 0 HB3 TRP B 2 -1.988 4.473 9.826 1.00 0.19 H new ATOM 0 HD1 TRP B 2 1.732 3.782 10.751 1.00 0.30 H new ATOM 0 HE1 TRP B 2 1.846 1.636 12.186 1.00 0.32 H new ATOM 0 HE3 TRP B 2 -3.200 2.458 10.523 1.00 0.32 H new ATOM 0 HZ2 TRP B 2 0.045 -0.326 13.086 1.00 0.33 H new ATOM 0 HZ3 TRP B 2 -3.930 0.428 11.708 1.00 0.40 H new ATOM 0 HH2 TRP B 2 -2.327 -0.948 12.965 1.00 0.39 H new ATOM 1393 N VAL B 3 -2.361 4.194 6.673 1.00 0.09 N ATOM 1394 CA VAL B 3 -3.455 4.701 5.857 1.00 0.11 C ATOM 1395 C VAL B 3 -4.556 3.665 5.755 1.00 0.14 C ATOM 1396 O VAL B 3 -5.709 4.044 5.462 1.00 0.24 O ATOM 1397 CB VAL B 3 -3.017 5.112 4.433 1.00 0.14 C ATOM 1398 CG1 VAL B 3 -2.644 6.585 4.391 1.00 0.21 C ATOM 1399 CG2 VAL B 3 -1.869 4.252 3.921 1.00 0.11 C ATOM 1400 OXT VAL B 3 -4.265 2.476 5.981 1.00 0.27 O ATOM 0 H VAL B 3 -2.215 3.187 6.606 1.00 0.09 H new ATOM 0 HA VAL B 3 -3.816 5.599 6.359 1.00 0.11 H new ATOM 0 HB VAL B 3 -3.867 4.948 3.771 1.00 0.14 H new ATOM 0 HG11 VAL B 3 -2.339 6.854 3.380 1.00 0.21 H new ATOM 0 HG12 VAL B 3 -3.505 7.187 4.682 1.00 0.21 H new ATOM 0 HG13 VAL B 3 -1.821 6.772 5.081 1.00 0.21 H new ATOM 0 HG21 VAL B 3 -1.592 4.574 2.917 1.00 0.11 H new ATOM 0 HG22 VAL B 3 -1.011 4.357 4.585 1.00 0.11 H new ATOM 0 HG23 VAL B 3 -2.181 3.208 3.894 1.00 0.11 H new