USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 305 ASN : amide:sc= 1.06 K(o=2,f=0.067) USER MOD Set 1.2: A 332 SER OG : rot -139:sc= 0.984 USER MOD Set 2.1: A 265 SER OG : rot -130:sc= 1.81 USER MOD Set 2.2: A 282 SER OG : rot 180:sc= 0.948 USER MOD Single : A 248 ASN : amide:sc= -0.11 K(o=-0.11,f=-4.4!) USER MOD Single : A 251 THR OG1 : rot 180:sc= -0.494 USER MOD Single : A 253 THR OG1 : rot 180:sc= 0 USER MOD Single : A 255 ASN : amide:sc= 0.535 K(o=0.54,f=-8.4!) USER MOD Single : A 256 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 259 HIS : no HE2:sc= 0.312 K(o=0.31,f=-2.3!) USER MOD Single : A 260 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 269 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.073) USER MOD Single : A 279 TYR OH : rot -97:sc= 0.158 USER MOD Single : A 284 MET CE :methyl 153:sc= -0.0869 (180deg=-0.27) USER MOD Single : A 285 LYS NZ :NH3+ 173:sc=-0.00279 (180deg=-0.0747) USER MOD Single : A 300 MET CE :methyl 148:sc= -0.0152 (180deg=-0.67) USER MOD Single : A 303 GLN : amide:sc= -0.85 K(o=-0.85,f=-0.29) USER MOD Single : A 308 ASN : amide:sc= 0.634 K(o=0.63,f=-4.2!) USER MOD Single : A 311 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 312 MET CE :methyl -161:sc= 0 (180deg=-0.178) USER MOD Single : A 313 SER OG : rot 87:sc= 1.38 USER MOD Single : A 314 ASN : amide:sc= 1.16 K(o=1.2,f=-0.71) USER MOD Single : A 326 SER OG : rot 75:sc= 1.24 USER MOD Single : A 327 GLN : amide:sc= -0.856 K(o=-0.86,f=-0.098) USER MOD Single : A 328 THR OG1 : rot 180:sc= 0.0929 USER MOD Single : A 334 THR OG1 : rot 75:sc= 0.921 USER MOD Single : A 337 LYS NZ :NH3+ -155:sc= 1.87! (180deg=1.18!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 248 4.268 -13.366 -7.374 1.00 0.52 N ATOM 2 CA ASN A 248 2.994 -13.208 -8.112 1.00 0.49 C ATOM 3 C ASN A 248 2.502 -11.770 -8.016 1.00 0.44 C ATOM 4 O ASN A 248 2.369 -11.222 -6.920 1.00 0.47 O ATOM 5 CB ASN A 248 1.931 -14.160 -7.551 1.00 0.57 C ATOM 6 CG ASN A 248 0.751 -14.334 -8.489 1.00 0.70 C ATOM 7 OD1 ASN A 248 0.508 -13.510 -9.370 1.00 0.99 O ATOM 8 ND2 ASN A 248 0.002 -15.409 -8.301 1.00 1.26 N ATOM 0 HA ASN A 248 3.170 -13.453 -9.159 1.00 0.49 H new ATOM 0 HB2 ASN A 248 2.384 -15.132 -7.359 1.00 0.57 H new ATOM 0 HB3 ASN A 248 1.576 -13.779 -6.593 1.00 0.57 H new ATOM 0 HD21 ASN A 248 -0.808 -15.577 -8.897 1.00 1.26 H new ATOM 0 HD22 ASN A 248 0.235 -16.070 -7.560 1.00 1.26 H new ATOM 17 N ILE A 249 2.239 -11.161 -9.165 1.00 0.45 N ATOM 18 CA ILE A 249 1.762 -9.786 -9.210 1.00 0.43 C ATOM 19 C ILE A 249 0.237 -9.749 -9.198 1.00 0.42 C ATOM 20 O ILE A 249 -0.414 -10.159 -10.161 1.00 0.50 O ATOM 21 CB ILE A 249 2.283 -9.043 -10.460 1.00 0.47 C ATOM 22 CG1 ILE A 249 3.809 -9.112 -10.521 1.00 0.54 C ATOM 23 CG2 ILE A 249 1.816 -7.594 -10.453 1.00 0.50 C ATOM 24 CD1 ILE A 249 4.394 -8.583 -11.813 1.00 0.65 C ATOM 0 H ILE A 249 2.348 -11.599 -10.080 1.00 0.45 H new ATOM 0 HA ILE A 249 2.147 -9.281 -8.324 1.00 0.43 H new ATOM 0 HB ILE A 249 1.877 -9.531 -11.346 1.00 0.47 H new ATOM 0 HG12 ILE A 249 4.223 -8.545 -9.687 1.00 0.54 H new ATOM 0 HG13 ILE A 249 4.122 -10.148 -10.389 1.00 0.54 H new ATOM 0 HG21 ILE A 249 2.192 -7.086 -11.341 1.00 0.50 H new ATOM 0 HG22 ILE A 249 0.726 -7.563 -10.452 1.00 0.50 H new ATOM 0 HG23 ILE A 249 2.194 -7.094 -9.561 1.00 0.50 H new ATOM 0 HD11 ILE A 249 5.480 -8.665 -11.781 1.00 0.65 H new ATOM 0 HD12 ILE A 249 4.011 -9.165 -12.651 1.00 0.65 H new ATOM 0 HD13 ILE A 249 4.113 -7.537 -11.939 1.00 0.65 H new ATOM 36 N ILE A 250 -0.323 -9.263 -8.102 1.00 0.39 N ATOM 37 CA ILE A 250 -1.766 -9.172 -7.953 1.00 0.41 C ATOM 38 C ILE A 250 -2.195 -7.712 -7.907 1.00 0.37 C ATOM 39 O ILE A 250 -1.597 -6.904 -7.197 1.00 0.36 O ATOM 40 CB ILE A 250 -2.250 -9.890 -6.669 1.00 0.44 C ATOM 41 CG1 ILE A 250 -1.756 -11.345 -6.638 1.00 0.48 C ATOM 42 CG2 ILE A 250 -3.772 -9.842 -6.560 1.00 0.55 C ATOM 43 CD1 ILE A 250 -2.316 -12.209 -7.749 1.00 0.54 C ATOM 0 H ILE A 250 0.204 -8.923 -7.298 1.00 0.39 H new ATOM 0 HA ILE A 250 -2.219 -9.664 -8.814 1.00 0.41 H new ATOM 0 HB ILE A 250 -1.828 -9.365 -5.812 1.00 0.44 H new ATOM 0 HG12 ILE A 250 -0.668 -11.350 -6.701 1.00 0.48 H new ATOM 0 HG13 ILE A 250 -2.022 -11.788 -5.678 1.00 0.48 H new ATOM 0 HG21 ILE A 250 -4.088 -10.353 -5.650 1.00 0.55 H new ATOM 0 HG22 ILE A 250 -4.102 -8.804 -6.526 1.00 0.55 H new ATOM 0 HG23 ILE A 250 -4.214 -10.335 -7.425 1.00 0.55 H new ATOM 0 HD11 ILE A 250 -1.920 -13.220 -7.658 1.00 0.54 H new ATOM 0 HD12 ILE A 250 -3.403 -12.237 -7.675 1.00 0.54 H new ATOM 0 HD13 ILE A 250 -2.028 -11.792 -8.714 1.00 0.54 H new ATOM 55 N THR A 251 -3.208 -7.370 -8.689 1.00 0.40 N ATOM 56 CA THR A 251 -3.713 -6.008 -8.731 1.00 0.39 C ATOM 57 C THR A 251 -5.189 -5.974 -8.350 1.00 0.40 C ATOM 58 O THR A 251 -6.057 -6.373 -9.131 1.00 0.48 O ATOM 59 CB THR A 251 -3.518 -5.380 -10.124 1.00 0.46 C ATOM 60 OG1 THR A 251 -2.209 -5.707 -10.613 1.00 0.59 O ATOM 61 CG2 THR A 251 -3.682 -3.866 -10.068 1.00 0.47 C ATOM 0 H THR A 251 -3.697 -8.020 -9.304 1.00 0.40 H new ATOM 0 HA THR A 251 -3.143 -5.423 -8.009 1.00 0.39 H new ATOM 0 HB THR A 251 -4.277 -5.781 -10.796 1.00 0.46 H new ATOM 0 HG1 THR A 251 -2.083 -5.310 -11.500 1.00 0.59 H new ATOM 0 HG21 THR A 251 -3.539 -3.447 -11.064 1.00 0.47 H new ATOM 0 HG22 THR A 251 -4.683 -3.621 -9.711 1.00 0.47 H new ATOM 0 HG23 THR A 251 -2.941 -3.445 -9.388 1.00 0.47 H new ATOM 69 N VAL A 252 -5.468 -5.507 -7.146 1.00 0.36 N ATOM 70 CA VAL A 252 -6.837 -5.436 -6.658 1.00 0.38 C ATOM 71 C VAL A 252 -7.346 -4.000 -6.663 1.00 0.35 C ATOM 72 O VAL A 252 -6.557 -3.052 -6.659 1.00 0.39 O ATOM 73 CB VAL A 252 -6.963 -6.013 -5.228 1.00 0.41 C ATOM 74 CG1 VAL A 252 -6.377 -7.414 -5.157 1.00 0.50 C ATOM 75 CG2 VAL A 252 -6.288 -5.103 -4.213 1.00 0.40 C ATOM 0 H VAL A 252 -4.766 -5.171 -6.487 1.00 0.36 H new ATOM 0 HA VAL A 252 -7.444 -6.038 -7.335 1.00 0.38 H new ATOM 0 HB VAL A 252 -8.024 -6.071 -4.983 1.00 0.41 H new ATOM 0 HG11 VAL A 252 -6.477 -7.799 -4.142 1.00 0.50 H new ATOM 0 HG12 VAL A 252 -6.911 -8.067 -5.847 1.00 0.50 H new ATOM 0 HG13 VAL A 252 -5.322 -7.382 -5.431 1.00 0.50 H new ATOM 0 HG21 VAL A 252 -6.391 -5.531 -3.216 1.00 0.40 H new ATOM 0 HG22 VAL A 252 -5.231 -5.005 -4.459 1.00 0.40 H new ATOM 0 HG23 VAL A 252 -6.758 -4.120 -4.236 1.00 0.40 H new ATOM 85 N THR A 253 -8.659 -3.848 -6.685 1.00 0.39 N ATOM 86 CA THR A 253 -9.273 -2.530 -6.669 1.00 0.40 C ATOM 87 C THR A 253 -9.953 -2.301 -5.324 1.00 0.39 C ATOM 88 O THR A 253 -10.801 -3.087 -4.897 1.00 0.54 O ATOM 89 CB THR A 253 -10.283 -2.343 -7.828 1.00 0.50 C ATOM 90 OG1 THR A 253 -10.967 -1.090 -7.700 1.00 0.76 O ATOM 91 CG2 THR A 253 -11.297 -3.480 -7.873 1.00 0.79 C ATOM 0 H THR A 253 -9.322 -4.622 -6.714 1.00 0.39 H new ATOM 0 HA THR A 253 -8.486 -1.790 -6.812 1.00 0.40 H new ATOM 0 HB THR A 253 -9.718 -2.352 -8.760 1.00 0.50 H new ATOM 0 HG1 THR A 253 -11.600 -0.986 -8.441 1.00 0.76 H new ATOM 0 HG21 THR A 253 -11.990 -3.317 -8.698 1.00 0.79 H new ATOM 0 HG22 THR A 253 -10.776 -4.426 -8.019 1.00 0.79 H new ATOM 0 HG23 THR A 253 -11.851 -3.511 -6.935 1.00 0.79 H new ATOM 99 N LEU A 254 -9.552 -1.245 -4.641 1.00 0.33 N ATOM 100 CA LEU A 254 -10.110 -0.929 -3.340 1.00 0.35 C ATOM 101 C LEU A 254 -11.259 0.062 -3.461 1.00 0.35 C ATOM 102 O LEU A 254 -11.088 1.171 -3.971 1.00 0.37 O ATOM 103 CB LEU A 254 -9.024 -0.364 -2.428 1.00 0.36 C ATOM 104 CG LEU A 254 -7.776 -1.239 -2.298 1.00 0.39 C ATOM 105 CD1 LEU A 254 -6.710 -0.520 -1.495 1.00 0.46 C ATOM 106 CD2 LEU A 254 -8.120 -2.573 -1.652 1.00 0.45 C ATOM 0 H LEU A 254 -8.841 -0.591 -4.967 1.00 0.33 H new ATOM 0 HA LEU A 254 -10.501 -1.849 -2.906 1.00 0.35 H new ATOM 0 HB2 LEU A 254 -8.727 0.615 -2.804 1.00 0.36 H new ATOM 0 HB3 LEU A 254 -9.447 -0.209 -1.435 1.00 0.36 H new ATOM 0 HG LEU A 254 -7.387 -1.434 -3.297 1.00 0.39 H new ATOM 0 HD11 LEU A 254 -5.828 -1.155 -1.411 1.00 0.46 H new ATOM 0 HD12 LEU A 254 -6.442 0.410 -1.997 1.00 0.46 H new ATOM 0 HD13 LEU A 254 -7.093 -0.297 -0.499 1.00 0.46 H new ATOM 0 HD21 LEU A 254 -7.219 -3.180 -1.569 1.00 0.45 H new ATOM 0 HD22 LEU A 254 -8.534 -2.400 -0.659 1.00 0.45 H new ATOM 0 HD23 LEU A 254 -8.854 -3.096 -2.265 1.00 0.45 H new ATOM 118 N ASN A 255 -12.430 -0.354 -2.996 1.00 0.40 N ATOM 119 CA ASN A 255 -13.619 0.488 -3.035 1.00 0.44 C ATOM 120 C ASN A 255 -13.579 1.513 -1.907 1.00 0.40 C ATOM 121 O ASN A 255 -13.632 1.156 -0.726 1.00 0.39 O ATOM 122 CB ASN A 255 -14.886 -0.364 -2.924 1.00 0.50 C ATOM 123 CG ASN A 255 -16.142 0.479 -2.801 1.00 0.55 C ATOM 124 OD1 ASN A 255 -16.529 0.890 -1.702 1.00 0.52 O ATOM 125 ND2 ASN A 255 -16.785 0.751 -3.924 1.00 0.65 N ATOM 0 H ASN A 255 -12.582 -1.275 -2.585 1.00 0.40 H new ATOM 0 HA ASN A 255 -13.635 1.014 -3.990 1.00 0.44 H new ATOM 0 HB2 ASN A 255 -14.967 -1.006 -3.801 1.00 0.50 H new ATOM 0 HB3 ASN A 255 -14.805 -1.019 -2.057 1.00 0.50 H new ATOM 0 HD21 ASN A 255 -17.632 1.319 -3.902 1.00 0.65 H new ATOM 0 HD22 ASN A 255 -16.434 0.393 -4.812 1.00 0.65 H new ATOM 132 N MET A 256 -13.502 2.784 -2.276 1.00 0.41 N ATOM 133 CA MET A 256 -13.446 3.863 -1.298 1.00 0.41 C ATOM 134 C MET A 256 -14.822 4.485 -1.090 1.00 0.44 C ATOM 135 O MET A 256 -14.946 5.600 -0.579 1.00 0.49 O ATOM 136 CB MET A 256 -12.436 4.927 -1.736 1.00 0.43 C ATOM 137 CG MET A 256 -10.988 4.482 -1.587 1.00 0.45 C ATOM 138 SD MET A 256 -10.553 4.104 0.125 1.00 0.56 S ATOM 139 CE MET A 256 -10.249 5.750 0.765 1.00 0.63 C ATOM 0 H MET A 256 -13.477 3.094 -3.247 1.00 0.41 H new ATOM 0 HA MET A 256 -13.120 3.443 -0.347 1.00 0.41 H new ATOM 0 HB2 MET A 256 -12.623 5.188 -2.778 1.00 0.43 H new ATOM 0 HB3 MET A 256 -12.593 5.831 -1.148 1.00 0.43 H new ATOM 0 HG2 MET A 256 -10.817 3.601 -2.205 1.00 0.45 H new ATOM 0 HG3 MET A 256 -10.330 5.266 -1.961 1.00 0.45 H new ATOM 0 HE1 MET A 256 -9.969 5.686 1.816 1.00 0.63 H new ATOM 0 HE2 MET A 256 -9.440 6.216 0.202 1.00 0.63 H new ATOM 0 HE3 MET A 256 -11.153 6.351 0.667 1.00 0.63 H new ATOM 149 N GLU A 257 -15.857 3.755 -1.473 1.00 0.46 N ATOM 150 CA GLU A 257 -17.221 4.228 -1.312 1.00 0.51 C ATOM 151 C GLU A 257 -17.749 3.822 0.057 1.00 0.49 C ATOM 152 O GLU A 257 -18.237 4.653 0.823 1.00 0.56 O ATOM 153 CB GLU A 257 -18.127 3.668 -2.410 1.00 0.56 C ATOM 154 CG GLU A 257 -17.758 4.132 -3.809 1.00 0.67 C ATOM 155 CD GLU A 257 -17.811 5.639 -3.968 1.00 0.86 C ATOM 156 OE1 GLU A 257 -18.467 6.309 -3.143 1.00 1.23 O ATOM 157 OE2 GLU A 257 -17.198 6.161 -4.923 1.00 1.27 O ATOM 0 H GLU A 257 -15.778 2.831 -1.898 1.00 0.46 H new ATOM 0 HA GLU A 257 -17.221 5.315 -1.392 1.00 0.51 H new ATOM 0 HB2 GLU A 257 -18.090 2.579 -2.377 1.00 0.56 H new ATOM 0 HB3 GLU A 257 -19.157 3.959 -2.201 1.00 0.56 H new ATOM 0 HG2 GLU A 257 -16.754 3.782 -4.048 1.00 0.67 H new ATOM 0 HG3 GLU A 257 -18.436 3.672 -4.529 1.00 0.67 H new ATOM 164 N ARG A 258 -17.633 2.537 0.362 1.00 0.45 N ATOM 165 CA ARG A 258 -18.088 2.009 1.640 1.00 0.45 C ATOM 166 C ARG A 258 -16.941 2.024 2.650 1.00 0.43 C ATOM 167 O ARG A 258 -17.086 1.584 3.789 1.00 0.63 O ATOM 168 CB ARG A 258 -18.623 0.581 1.465 1.00 0.48 C ATOM 169 CG ARG A 258 -19.455 0.081 2.637 1.00 0.56 C ATOM 170 CD ARG A 258 -19.708 -1.414 2.546 1.00 0.64 C ATOM 171 NE ARG A 258 -20.408 -1.919 3.727 1.00 0.75 N ATOM 172 CZ ARG A 258 -20.241 -3.141 4.231 1.00 0.86 C ATOM 173 NH1 ARG A 258 -19.400 -3.994 3.654 1.00 1.01 N ATOM 174 NH2 ARG A 258 -20.917 -3.506 5.314 1.00 1.06 N ATOM 0 H ARG A 258 -17.226 1.839 -0.261 1.00 0.45 H new ATOM 0 HA ARG A 258 -18.895 2.639 2.014 1.00 0.45 H new ATOM 0 HB2 ARG A 258 -19.229 0.540 0.560 1.00 0.48 H new ATOM 0 HB3 ARG A 258 -17.781 -0.095 1.316 1.00 0.48 H new ATOM 0 HG2 ARG A 258 -18.941 0.307 3.571 1.00 0.56 H new ATOM 0 HG3 ARG A 258 -20.407 0.611 2.660 1.00 0.56 H new ATOM 0 HD2 ARG A 258 -20.297 -1.629 1.654 1.00 0.64 H new ATOM 0 HD3 ARG A 258 -18.758 -1.937 2.435 1.00 0.64 H new ATOM 0 HE ARG A 258 -21.066 -1.296 4.195 1.00 0.75 H new ATOM 0 HH11 ARG A 258 -18.880 -3.714 2.823 1.00 1.01 H new ATOM 0 HH12 ARG A 258 -19.275 -4.929 4.043 1.00 1.01 H new ATOM 0 HH21 ARG A 258 -21.562 -2.852 5.757 1.00 1.06 H new ATOM 0 HH22 ARG A 258 -20.792 -4.441 5.703 1.00 1.06 H new ATOM 188 N HIS A 259 -15.794 2.533 2.219 1.00 0.37 N ATOM 189 CA HIS A 259 -14.620 2.604 3.077 1.00 0.35 C ATOM 190 C HIS A 259 -14.063 4.016 3.093 1.00 0.40 C ATOM 191 O HIS A 259 -14.177 4.748 2.111 1.00 0.63 O ATOM 192 CB HIS A 259 -13.548 1.622 2.607 1.00 0.38 C ATOM 193 CG HIS A 259 -13.992 0.194 2.652 1.00 0.46 C ATOM 194 ND1 HIS A 259 -14.279 -0.535 1.519 1.00 0.61 N ATOM 195 CD2 HIS A 259 -14.213 -0.637 3.698 1.00 0.58 C ATOM 196 CE1 HIS A 259 -14.658 -1.750 1.864 1.00 0.76 C ATOM 197 NE2 HIS A 259 -14.624 -1.838 3.178 1.00 0.75 N ATOM 0 H HIS A 259 -15.652 2.903 1.279 1.00 0.37 H new ATOM 0 HA HIS A 259 -14.919 2.331 4.089 1.00 0.35 H new ATOM 0 HB2 HIS A 259 -13.258 1.873 1.587 1.00 0.38 H new ATOM 0 HB3 HIS A 259 -12.660 1.739 3.229 1.00 0.38 H new ATOM 0 HD1 HIS A 259 -14.209 -0.189 0.562 1.00 0.61 H new ATOM 0 HD2 HIS A 259 -14.089 -0.399 4.744 1.00 0.58 H new ATOM 0 HE1 HIS A 259 -14.947 -2.539 1.185 1.00 0.76 H new ATOM 206 N HIS A 260 -13.480 4.404 4.213 1.00 0.36 N ATOM 207 CA HIS A 260 -12.911 5.738 4.354 1.00 0.42 C ATOM 208 C HIS A 260 -11.387 5.691 4.432 1.00 0.35 C ATOM 209 O HIS A 260 -10.724 6.729 4.391 1.00 0.42 O ATOM 210 CB HIS A 260 -13.460 6.413 5.609 1.00 0.56 C ATOM 211 CG HIS A 260 -14.723 7.181 5.384 1.00 0.71 C ATOM 212 ND1 HIS A 260 -14.886 8.480 5.797 1.00 0.97 N ATOM 213 CD2 HIS A 260 -15.886 6.825 4.793 1.00 0.88 C ATOM 214 CE1 HIS A 260 -16.098 8.891 5.478 1.00 1.09 C ATOM 215 NE2 HIS A 260 -16.727 7.905 4.866 1.00 1.01 N ATOM 0 H HIS A 260 -13.387 3.815 5.041 1.00 0.36 H new ATOM 0 HA HIS A 260 -13.193 6.312 3.471 1.00 0.42 H new ATOM 0 HB2 HIS A 260 -13.640 5.653 6.369 1.00 0.56 H new ATOM 0 HB3 HIS A 260 -12.702 7.088 6.007 1.00 0.56 H new ATOM 0 HD2 HIS A 260 -16.111 5.868 4.346 1.00 0.88 H new ATOM 0 HE1 HIS A 260 -16.507 9.869 5.683 1.00 1.09 H new ATOM 0 HE2 HIS A 260 -17.681 7.941 4.507 1.00 1.01 H new ATOM 224 N PHE A 261 -10.835 4.490 4.532 1.00 0.30 N ATOM 225 CA PHE A 261 -9.392 4.326 4.644 1.00 0.25 C ATOM 226 C PHE A 261 -8.949 2.968 4.113 1.00 0.21 C ATOM 227 O PHE A 261 -9.780 2.091 3.847 1.00 0.22 O ATOM 228 CB PHE A 261 -8.958 4.488 6.110 1.00 0.28 C ATOM 229 CG PHE A 261 -9.691 3.591 7.073 1.00 0.32 C ATOM 230 CD1 PHE A 261 -10.945 3.941 7.550 1.00 0.52 C ATOM 231 CD2 PHE A 261 -9.123 2.407 7.504 1.00 0.36 C ATOM 232 CE1 PHE A 261 -11.617 3.121 8.435 1.00 0.62 C ATOM 233 CE2 PHE A 261 -9.789 1.585 8.391 1.00 0.44 C ATOM 234 CZ PHE A 261 -11.037 1.943 8.857 1.00 0.52 C ATOM 0 H PHE A 261 -11.362 3.617 4.538 1.00 0.30 H new ATOM 0 HA PHE A 261 -8.914 5.097 4.039 1.00 0.25 H new ATOM 0 HB2 PHE A 261 -7.889 4.287 6.185 1.00 0.28 H new ATOM 0 HB3 PHE A 261 -9.109 5.525 6.410 1.00 0.28 H new ATOM 0 HD1 PHE A 261 -11.401 4.865 7.226 1.00 0.52 H new ATOM 0 HD2 PHE A 261 -8.146 2.121 7.142 1.00 0.36 H new ATOM 0 HE1 PHE A 261 -12.595 3.402 8.796 1.00 0.62 H new ATOM 0 HE2 PHE A 261 -9.333 0.663 8.720 1.00 0.44 H new ATOM 0 HZ PHE A 261 -11.559 1.302 9.551 1.00 0.52 H new ATOM 244 N LEU A 262 -7.641 2.800 3.968 1.00 0.17 N ATOM 245 CA LEU A 262 -7.074 1.554 3.485 1.00 0.14 C ATOM 246 C LEU A 262 -7.093 0.524 4.604 1.00 0.12 C ATOM 247 O LEU A 262 -7.594 -0.590 4.434 1.00 0.14 O ATOM 248 CB LEU A 262 -5.640 1.780 2.985 1.00 0.14 C ATOM 249 CG LEU A 262 -5.507 2.357 1.568 1.00 0.19 C ATOM 250 CD1 LEU A 262 -4.326 1.723 0.848 1.00 0.23 C ATOM 251 CD2 LEU A 262 -6.791 2.165 0.769 1.00 0.34 C ATOM 0 H LEU A 262 -6.950 3.520 4.181 1.00 0.17 H new ATOM 0 HA LEU A 262 -7.670 1.185 2.651 1.00 0.14 H new ATOM 0 HB2 LEU A 262 -5.136 2.452 3.679 1.00 0.14 H new ATOM 0 HB3 LEU A 262 -5.109 0.829 3.020 1.00 0.14 H new ATOM 0 HG LEU A 262 -5.329 3.429 1.655 1.00 0.19 H new ATOM 0 HD11 LEU A 262 -4.244 2.142 -0.155 1.00 0.23 H new ATOM 0 HD12 LEU A 262 -3.410 1.927 1.402 1.00 0.23 H new ATOM 0 HD13 LEU A 262 -4.477 0.646 0.780 1.00 0.23 H new ATOM 0 HD21 LEU A 262 -6.664 2.584 -0.229 1.00 0.34 H new ATOM 0 HD22 LEU A 262 -7.015 1.101 0.690 1.00 0.34 H new ATOM 0 HD23 LEU A 262 -7.613 2.672 1.274 1.00 0.34 H new ATOM 263 N GLY A 263 -6.560 0.916 5.751 1.00 0.11 N ATOM 264 CA GLY A 263 -6.534 0.039 6.902 1.00 0.12 C ATOM 265 C GLY A 263 -5.293 -0.822 6.946 1.00 0.11 C ATOM 266 O GLY A 263 -5.363 -1.994 7.309 1.00 0.14 O ATOM 0 H GLY A 263 -6.142 1.833 5.905 1.00 0.11 H new ATOM 0 HA2 GLY A 263 -6.590 0.637 7.812 1.00 0.12 H new ATOM 0 HA3 GLY A 263 -7.416 -0.601 6.887 1.00 0.12 H new ATOM 270 N ILE A 264 -4.155 -0.248 6.581 1.00 0.09 N ATOM 271 CA ILE A 264 -2.901 -0.988 6.584 1.00 0.09 C ATOM 272 C ILE A 264 -1.743 -0.119 7.041 1.00 0.08 C ATOM 273 O ILE A 264 -1.744 1.103 6.854 1.00 0.11 O ATOM 274 CB ILE A 264 -2.551 -1.566 5.192 1.00 0.12 C ATOM 275 CG1 ILE A 264 -2.870 -0.553 4.091 1.00 0.14 C ATOM 276 CG2 ILE A 264 -3.285 -2.876 4.954 1.00 0.17 C ATOM 277 CD1 ILE A 264 -2.293 -0.922 2.740 1.00 0.18 C ATOM 0 H ILE A 264 -4.074 0.723 6.280 1.00 0.09 H new ATOM 0 HA ILE A 264 -3.050 -1.811 7.283 1.00 0.09 H new ATOM 0 HB ILE A 264 -1.480 -1.769 5.165 1.00 0.12 H new ATOM 0 HG12 ILE A 264 -3.952 -0.457 4.000 1.00 0.14 H new ATOM 0 HG13 ILE A 264 -2.487 0.424 4.386 1.00 0.14 H new ATOM 0 HG21 ILE A 264 -3.025 -3.265 3.970 1.00 0.17 H new ATOM 0 HG22 ILE A 264 -2.997 -3.598 5.718 1.00 0.17 H new ATOM 0 HG23 ILE A 264 -4.360 -2.705 5.004 1.00 0.17 H new ATOM 0 HD11 ILE A 264 -2.560 -0.158 2.010 1.00 0.18 H new ATOM 0 HD12 ILE A 264 -1.208 -0.990 2.814 1.00 0.18 H new ATOM 0 HD13 ILE A 264 -2.696 -1.884 2.423 1.00 0.18 H new ATOM 289 N SER A 265 -0.769 -0.757 7.659 1.00 0.09 N ATOM 290 CA SER A 265 0.421 -0.075 8.115 1.00 0.12 C ATOM 291 C SER A 265 1.572 -0.419 7.185 1.00 0.11 C ATOM 292 O SER A 265 1.819 -1.595 6.896 1.00 0.19 O ATOM 293 CB SER A 265 0.751 -0.477 9.551 1.00 0.20 C ATOM 294 OG SER A 265 0.773 -1.888 9.697 1.00 1.00 O ATOM 0 H SER A 265 -0.782 -1.757 7.857 1.00 0.09 H new ATOM 0 HA SER A 265 0.253 1.002 8.101 1.00 0.12 H new ATOM 0 HB2 SER A 265 1.720 -0.064 9.833 1.00 0.20 H new ATOM 0 HB3 SER A 265 0.013 -0.050 10.230 1.00 0.20 H new ATOM 0 HG SER A 265 0.219 -2.146 10.463 1.00 1.00 H new ATOM 300 N ILE A 266 2.265 0.594 6.705 1.00 0.10 N ATOM 301 CA ILE A 266 3.369 0.380 5.788 1.00 0.11 C ATOM 302 C ILE A 266 4.674 0.195 6.556 1.00 0.13 C ATOM 303 O ILE A 266 5.021 1.007 7.413 1.00 0.28 O ATOM 304 CB ILE A 266 3.508 1.554 4.790 1.00 0.13 C ATOM 305 CG1 ILE A 266 2.134 2.002 4.265 1.00 0.14 C ATOM 306 CG2 ILE A 266 4.409 1.156 3.634 1.00 0.19 C ATOM 307 CD1 ILE A 266 1.307 0.880 3.678 1.00 0.16 C ATOM 0 H ILE A 266 2.085 1.572 6.933 1.00 0.10 H new ATOM 0 HA ILE A 266 3.156 -0.527 5.222 1.00 0.11 H new ATOM 0 HB ILE A 266 3.958 2.395 5.318 1.00 0.13 H new ATOM 0 HG12 ILE A 266 1.577 2.463 5.081 1.00 0.14 H new ATOM 0 HG13 ILE A 266 2.279 2.770 3.505 1.00 0.14 H new ATOM 0 HG21 ILE A 266 4.499 1.991 2.939 1.00 0.19 H new ATOM 0 HG22 ILE A 266 5.396 0.894 4.015 1.00 0.19 H new ATOM 0 HG23 ILE A 266 3.980 0.298 3.117 1.00 0.19 H new ATOM 0 HD11 ILE A 266 0.353 1.275 3.330 1.00 0.16 H new ATOM 0 HD12 ILE A 266 1.842 0.433 2.840 1.00 0.16 H new ATOM 0 HD13 ILE A 266 1.129 0.122 4.441 1.00 0.16 H new ATOM 319 N VAL A 267 5.376 -0.892 6.269 1.00 0.12 N ATOM 320 CA VAL A 267 6.641 -1.183 6.926 1.00 0.14 C ATOM 321 C VAL A 267 7.778 -1.158 5.910 1.00 0.14 C ATOM 322 O VAL A 267 7.864 -2.029 5.043 1.00 0.23 O ATOM 323 CB VAL A 267 6.609 -2.558 7.632 1.00 0.24 C ATOM 324 CG1 VAL A 267 7.947 -2.859 8.298 1.00 0.29 C ATOM 325 CG2 VAL A 267 5.481 -2.609 8.653 1.00 0.31 C ATOM 0 H VAL A 267 5.089 -1.589 5.582 1.00 0.12 H new ATOM 0 HA VAL A 267 6.806 -0.414 7.681 1.00 0.14 H new ATOM 0 HB VAL A 267 6.426 -3.322 6.877 1.00 0.24 H new ATOM 0 HG11 VAL A 267 7.899 -3.832 8.788 1.00 0.29 H new ATOM 0 HG12 VAL A 267 8.734 -2.871 7.544 1.00 0.29 H new ATOM 0 HG13 VAL A 267 8.166 -2.090 9.039 1.00 0.29 H new ATOM 0 HG21 VAL A 267 5.474 -3.584 9.140 1.00 0.31 H new ATOM 0 HG22 VAL A 267 5.632 -1.831 9.401 1.00 0.31 H new ATOM 0 HG23 VAL A 267 4.527 -2.448 8.150 1.00 0.31 H new ATOM 335 N GLY A 268 8.627 -0.146 6.007 1.00 0.17 N ATOM 336 CA GLY A 268 9.745 -0.027 5.094 1.00 0.23 C ATOM 337 C GLY A 268 10.971 -0.750 5.605 1.00 0.23 C ATOM 338 O GLY A 268 11.205 -0.804 6.814 1.00 0.37 O ATOM 0 H GLY A 268 8.562 0.597 6.703 1.00 0.17 H new ATOM 0 HA2 GLY A 268 9.464 -0.432 4.122 1.00 0.23 H new ATOM 0 HA3 GLY A 268 9.981 1.027 4.945 1.00 0.23 H new ATOM 342 N GLN A 269 11.750 -1.314 4.692 1.00 0.27 N ATOM 343 CA GLN A 269 12.958 -2.039 5.062 1.00 0.34 C ATOM 344 C GLN A 269 14.059 -1.075 5.491 1.00 0.38 C ATOM 345 O GLN A 269 14.540 -0.268 4.693 1.00 0.50 O ATOM 346 CB GLN A 269 13.447 -2.896 3.896 1.00 0.49 C ATOM 347 CG GLN A 269 12.543 -4.075 3.585 1.00 0.67 C ATOM 348 CD GLN A 269 12.550 -5.123 4.681 1.00 1.19 C ATOM 349 OE1 GLN A 269 13.379 -6.032 4.683 1.00 1.81 O ATOM 350 NE2 GLN A 269 11.620 -5.012 5.619 1.00 1.87 N ATOM 0 H GLN A 269 11.567 -1.283 3.689 1.00 0.27 H new ATOM 0 HA GLN A 269 12.715 -2.689 5.903 1.00 0.34 H new ATOM 0 HB2 GLN A 269 13.532 -2.270 3.007 1.00 0.49 H new ATOM 0 HB3 GLN A 269 14.447 -3.266 4.123 1.00 0.49 H new ATOM 0 HG2 GLN A 269 11.524 -3.717 3.437 1.00 0.67 H new ATOM 0 HG3 GLN A 269 12.860 -4.533 2.648 1.00 0.67 H new ATOM 0 HE21 GLN A 269 10.949 -4.244 5.584 1.00 1.87 H new ATOM 0 HE22 GLN A 269 11.575 -5.694 6.376 1.00 1.87 H new ATOM 446 N GLY A 277 12.333 -1.789 0.069 1.00 0.30 N ATOM 447 CA GLY A 277 10.941 -1.894 -0.314 1.00 0.29 C ATOM 448 C GLY A 277 10.008 -1.750 0.869 1.00 0.24 C ATOM 449 O GLY A 277 10.440 -1.811 2.024 1.00 0.27 O ATOM 0 HA2 GLY A 277 10.710 -1.125 -1.052 1.00 0.29 H new ATOM 0 HA3 GLY A 277 10.770 -2.858 -0.794 1.00 0.29 H new ATOM 453 N ILE A 278 8.730 -1.559 0.585 1.00 0.21 N ATOM 454 CA ILE A 278 7.732 -1.408 1.630 1.00 0.19 C ATOM 455 C ILE A 278 6.807 -2.618 1.665 1.00 0.18 C ATOM 456 O ILE A 278 6.323 -3.078 0.628 1.00 0.23 O ATOM 457 CB ILE A 278 6.897 -0.122 1.447 1.00 0.20 C ATOM 458 CG1 ILE A 278 6.460 0.043 -0.011 1.00 0.23 C ATOM 459 CG2 ILE A 278 7.693 1.093 1.901 1.00 0.23 C ATOM 460 CD1 ILE A 278 5.329 1.035 -0.195 1.00 0.27 C ATOM 0 H ILE A 278 8.359 -1.505 -0.364 1.00 0.21 H new ATOM 0 HA ILE A 278 8.267 -1.332 2.576 1.00 0.19 H new ATOM 0 HB ILE A 278 6.002 -0.206 2.063 1.00 0.20 H new ATOM 0 HG12 ILE A 278 7.316 0.366 -0.604 1.00 0.23 H new ATOM 0 HG13 ILE A 278 6.149 -0.926 -0.401 1.00 0.23 H new ATOM 0 HG21 ILE A 278 7.092 1.993 1.766 1.00 0.23 H new ATOM 0 HG22 ILE A 278 7.953 0.985 2.954 1.00 0.23 H new ATOM 0 HG23 ILE A 278 8.604 1.173 1.308 1.00 0.23 H new ATOM 0 HD11 ILE A 278 5.071 1.101 -1.252 1.00 0.27 H new ATOM 0 HD12 ILE A 278 4.458 0.703 0.371 1.00 0.27 H new ATOM 0 HD13 ILE A 278 5.643 2.015 0.164 1.00 0.27 H new ATOM 472 N TYR A 279 6.579 -3.140 2.859 1.00 0.15 N ATOM 473 CA TYR A 279 5.726 -4.305 3.039 1.00 0.16 C ATOM 474 C TYR A 279 4.530 -3.968 3.917 1.00 0.15 C ATOM 475 O TYR A 279 4.519 -2.944 4.604 1.00 0.18 O ATOM 476 CB TYR A 279 6.515 -5.450 3.685 1.00 0.19 C ATOM 477 CG TYR A 279 7.690 -5.942 2.867 1.00 0.24 C ATOM 478 CD1 TYR A 279 8.870 -5.211 2.797 1.00 0.42 C ATOM 479 CD2 TYR A 279 7.624 -7.149 2.183 1.00 0.44 C ATOM 480 CE1 TYR A 279 9.946 -5.667 2.060 1.00 0.55 C ATOM 481 CE2 TYR A 279 8.697 -7.609 1.443 1.00 0.57 C ATOM 482 CZ TYR A 279 9.855 -6.866 1.389 1.00 0.55 C ATOM 483 OH TYR A 279 10.928 -7.321 0.659 1.00 0.72 O ATOM 0 H TYR A 279 6.976 -2.773 3.724 1.00 0.15 H new ATOM 0 HA TYR A 279 5.372 -4.615 2.056 1.00 0.16 H new ATOM 0 HB2 TYR A 279 6.879 -5.120 4.658 1.00 0.19 H new ATOM 0 HB3 TYR A 279 5.838 -6.285 3.864 1.00 0.19 H new ATOM 0 HD1 TYR A 279 8.947 -4.273 3.326 1.00 0.42 H new ATOM 0 HD2 TYR A 279 6.720 -7.738 2.230 1.00 0.44 H new ATOM 0 HE1 TYR A 279 10.855 -5.085 2.010 1.00 0.55 H new ATOM 0 HE2 TYR A 279 8.628 -8.546 0.910 1.00 0.57 H new ATOM 0 HH TYR A 279 10.803 -7.089 -0.285 1.00 0.72 H new ATOM 493 N ILE A 280 3.527 -4.831 3.880 1.00 0.16 N ATOM 494 CA ILE A 280 2.329 -4.655 4.687 1.00 0.16 C ATOM 495 C ILE A 280 2.563 -5.212 6.086 1.00 0.17 C ATOM 496 O ILE A 280 2.853 -6.398 6.244 1.00 0.21 O ATOM 497 CB ILE A 280 1.106 -5.360 4.055 1.00 0.19 C ATOM 498 CG1 ILE A 280 0.819 -4.799 2.660 1.00 0.21 C ATOM 499 CG2 ILE A 280 -0.124 -5.224 4.948 1.00 0.21 C ATOM 500 CD1 ILE A 280 0.568 -3.308 2.644 1.00 0.24 C ATOM 0 H ILE A 280 3.519 -5.667 3.295 1.00 0.16 H new ATOM 0 HA ILE A 280 2.118 -3.587 4.738 1.00 0.16 H new ATOM 0 HB ILE A 280 1.342 -6.420 3.959 1.00 0.19 H new ATOM 0 HG12 ILE A 280 1.663 -5.023 2.007 1.00 0.21 H new ATOM 0 HG13 ILE A 280 -0.050 -5.309 2.245 1.00 0.21 H new ATOM 0 HG21 ILE A 280 -0.970 -5.728 4.481 1.00 0.21 H new ATOM 0 HG22 ILE A 280 0.079 -5.678 5.918 1.00 0.21 H new ATOM 0 HG23 ILE A 280 -0.360 -4.169 5.084 1.00 0.21 H new ATOM 0 HD11 ILE A 280 0.372 -2.983 1.622 1.00 0.24 H new ATOM 0 HD12 ILE A 280 -0.294 -3.077 3.270 1.00 0.24 H new ATOM 0 HD13 ILE A 280 1.445 -2.787 3.029 1.00 0.24 H new ATOM 512 N GLY A 281 2.445 -4.356 7.089 1.00 0.20 N ATOM 513 CA GLY A 281 2.659 -4.781 8.459 1.00 0.23 C ATOM 514 C GLY A 281 1.428 -5.413 9.078 1.00 0.24 C ATOM 515 O GLY A 281 1.419 -6.603 9.382 1.00 0.42 O ATOM 0 H GLY A 281 2.204 -3.371 6.980 1.00 0.20 H new ATOM 0 HA2 GLY A 281 3.482 -5.495 8.489 1.00 0.23 H new ATOM 0 HA3 GLY A 281 2.961 -3.922 9.058 1.00 0.23 H new ATOM 519 N SER A 282 0.387 -4.618 9.265 1.00 0.25 N ATOM 520 CA SER A 282 -0.842 -5.118 9.856 1.00 0.29 C ATOM 521 C SER A 282 -2.060 -4.569 9.126 1.00 0.26 C ATOM 522 O SER A 282 -2.003 -3.494 8.526 1.00 0.30 O ATOM 523 CB SER A 282 -0.898 -4.752 11.343 1.00 0.35 C ATOM 524 OG SER A 282 -0.448 -3.425 11.562 1.00 0.75 O ATOM 0 H SER A 282 0.369 -3.629 9.017 1.00 0.25 H new ATOM 0 HA SER A 282 -0.853 -6.204 9.759 1.00 0.29 H new ATOM 0 HB2 SER A 282 -1.920 -4.857 11.708 1.00 0.35 H new ATOM 0 HB3 SER A 282 -0.282 -5.447 11.915 1.00 0.35 H new ATOM 0 HG SER A 282 -0.496 -3.217 12.519 1.00 0.75 H new ATOM 530 N ILE A 283 -3.152 -5.318 9.176 1.00 0.24 N ATOM 531 CA ILE A 283 -4.393 -4.922 8.530 1.00 0.23 C ATOM 532 C ILE A 283 -5.453 -4.625 9.585 1.00 0.23 C ATOM 533 O ILE A 283 -5.626 -5.389 10.538 1.00 0.30 O ATOM 534 CB ILE A 283 -4.908 -6.022 7.577 1.00 0.27 C ATOM 535 CG1 ILE A 283 -3.841 -6.361 6.535 1.00 0.32 C ATOM 536 CG2 ILE A 283 -6.199 -5.590 6.892 1.00 0.29 C ATOM 537 CD1 ILE A 283 -4.169 -7.586 5.715 1.00 0.53 C ATOM 0 H ILE A 283 -3.202 -6.213 9.663 1.00 0.24 H new ATOM 0 HA ILE A 283 -4.194 -4.026 7.942 1.00 0.23 H new ATOM 0 HB ILE A 283 -5.120 -6.913 8.168 1.00 0.27 H new ATOM 0 HG12 ILE A 283 -3.713 -5.509 5.867 1.00 0.32 H new ATOM 0 HG13 ILE A 283 -2.887 -6.516 7.040 1.00 0.32 H new ATOM 0 HG21 ILE A 283 -6.540 -6.383 6.226 1.00 0.29 H new ATOM 0 HG22 ILE A 283 -6.963 -5.394 7.645 1.00 0.29 H new ATOM 0 HG23 ILE A 283 -6.019 -4.684 6.314 1.00 0.29 H new ATOM 0 HD11 ILE A 283 -3.370 -7.768 4.996 1.00 0.53 H new ATOM 0 HD12 ILE A 283 -4.268 -8.449 6.374 1.00 0.53 H new ATOM 0 HD13 ILE A 283 -5.107 -7.427 5.182 1.00 0.53 H new ATOM 549 N MET A 284 -6.142 -3.510 9.416 1.00 0.20 N ATOM 550 CA MET A 284 -7.180 -3.097 10.347 1.00 0.21 C ATOM 551 C MET A 284 -8.561 -3.488 9.829 1.00 0.22 C ATOM 552 O MET A 284 -8.925 -3.166 8.695 1.00 0.23 O ATOM 553 CB MET A 284 -7.112 -1.585 10.568 1.00 0.24 C ATOM 554 CG MET A 284 -5.894 -1.131 11.355 1.00 0.35 C ATOM 555 SD MET A 284 -5.860 -1.786 13.036 1.00 0.54 S ATOM 556 CE MET A 284 -4.563 -3.016 12.901 1.00 0.74 C ATOM 0 H MET A 284 -6.000 -2.869 8.636 1.00 0.20 H new ATOM 0 HA MET A 284 -7.013 -3.606 11.296 1.00 0.21 H new ATOM 0 HB2 MET A 284 -7.113 -1.086 9.599 1.00 0.24 H new ATOM 0 HB3 MET A 284 -8.012 -1.264 11.093 1.00 0.24 H new ATOM 0 HG2 MET A 284 -4.991 -1.444 10.830 1.00 0.35 H new ATOM 0 HG3 MET A 284 -5.878 -0.042 11.394 1.00 0.35 H new ATOM 0 HE1 MET A 284 -4.095 -3.160 13.875 1.00 0.74 H new ATOM 0 HE2 MET A 284 -4.990 -3.959 12.561 1.00 0.74 H new ATOM 0 HE3 MET A 284 -3.814 -2.678 12.185 1.00 0.74 H new ATOM 566 N LYS A 285 -9.317 -4.185 10.668 1.00 0.28 N ATOM 567 CA LYS A 285 -10.661 -4.626 10.317 1.00 0.33 C ATOM 568 C LYS A 285 -11.565 -3.425 10.055 1.00 0.33 C ATOM 569 O LYS A 285 -11.798 -2.608 10.947 1.00 0.46 O ATOM 570 CB LYS A 285 -11.238 -5.484 11.445 1.00 0.43 C ATOM 571 CG LYS A 285 -12.598 -6.088 11.129 1.00 0.49 C ATOM 572 CD LYS A 285 -12.501 -7.167 10.061 1.00 0.63 C ATOM 573 CE LYS A 285 -13.824 -7.895 9.877 1.00 0.83 C ATOM 574 NZ LYS A 285 -14.926 -6.972 9.491 1.00 1.01 N ATOM 0 H LYS A 285 -9.019 -4.459 11.604 1.00 0.28 H new ATOM 0 HA LYS A 285 -10.608 -5.223 9.407 1.00 0.33 H new ATOM 0 HB2 LYS A 285 -10.538 -6.289 11.670 1.00 0.43 H new ATOM 0 HB3 LYS A 285 -11.323 -4.874 12.345 1.00 0.43 H new ATOM 0 HG2 LYS A 285 -13.027 -6.512 12.037 1.00 0.49 H new ATOM 0 HG3 LYS A 285 -13.275 -5.303 10.793 1.00 0.49 H new ATOM 0 HD2 LYS A 285 -12.198 -6.717 9.115 1.00 0.63 H new ATOM 0 HD3 LYS A 285 -11.726 -7.883 10.336 1.00 0.63 H new ATOM 0 HE2 LYS A 285 -13.711 -8.663 9.111 1.00 0.83 H new ATOM 0 HE3 LYS A 285 -14.088 -8.405 10.803 1.00 0.83 H new ATOM 0 HZ1 LYS A 285 -15.777 -7.524 9.262 1.00 1.01 H new ATOM 0 HZ2 LYS A 285 -15.133 -6.329 10.282 1.00 1.01 H new ATOM 0 HZ3 LYS A 285 -14.639 -6.417 8.660 1.00 1.01 H new ATOM 588 N GLY A 286 -12.066 -3.318 8.833 1.00 0.33 N ATOM 589 CA GLY A 286 -12.931 -2.209 8.479 1.00 0.35 C ATOM 590 C GLY A 286 -12.379 -1.409 7.318 1.00 0.30 C ATOM 591 O GLY A 286 -13.097 -0.624 6.694 1.00 0.36 O ATOM 0 H GLY A 286 -11.889 -3.981 8.078 1.00 0.33 H new ATOM 0 HA2 GLY A 286 -13.920 -2.588 8.221 1.00 0.35 H new ATOM 0 HA3 GLY A 286 -13.056 -1.556 9.343 1.00 0.35 H new ATOM 595 N GLY A 287 -11.097 -1.599 7.037 1.00 0.26 N ATOM 596 CA GLY A 287 -10.465 -0.895 5.940 1.00 0.24 C ATOM 597 C GLY A 287 -10.784 -1.526 4.602 1.00 0.22 C ATOM 598 O GLY A 287 -11.320 -2.637 4.544 1.00 0.24 O ATOM 0 H GLY A 287 -10.482 -2.230 7.551 1.00 0.26 H new ATOM 0 HA2 GLY A 287 -10.794 0.144 5.938 1.00 0.24 H new ATOM 0 HA3 GLY A 287 -9.385 -0.887 6.089 1.00 0.24 H new ATOM 602 N ALA A 288 -10.454 -0.826 3.525 1.00 0.21 N ATOM 603 CA ALA A 288 -10.712 -1.320 2.178 1.00 0.22 C ATOM 604 C ALA A 288 -9.915 -2.591 1.891 1.00 0.22 C ATOM 605 O ALA A 288 -10.385 -3.486 1.190 1.00 0.25 O ATOM 606 CB ALA A 288 -10.385 -0.245 1.153 1.00 0.24 C ATOM 0 H ALA A 288 -10.005 0.089 3.558 1.00 0.21 H new ATOM 0 HA ALA A 288 -11.771 -1.568 2.106 1.00 0.22 H new ATOM 0 HB1 ALA A 288 -10.582 -0.626 0.151 1.00 0.24 H new ATOM 0 HB2 ALA A 288 -11.005 0.633 1.336 1.00 0.24 H new ATOM 0 HB3 ALA A 288 -9.334 0.030 1.237 1.00 0.24 H new ATOM 612 N VAL A 289 -8.722 -2.669 2.462 1.00 0.20 N ATOM 613 CA VAL A 289 -7.849 -3.821 2.273 1.00 0.21 C ATOM 614 C VAL A 289 -8.435 -5.072 2.928 1.00 0.23 C ATOM 615 O VAL A 289 -8.349 -6.172 2.380 1.00 0.26 O ATOM 616 CB VAL A 289 -6.442 -3.540 2.848 1.00 0.20 C ATOM 617 CG1 VAL A 289 -5.558 -4.774 2.754 1.00 0.23 C ATOM 618 CG2 VAL A 289 -5.802 -2.363 2.123 1.00 0.20 C ATOM 0 H VAL A 289 -8.333 -1.943 3.064 1.00 0.20 H new ATOM 0 HA VAL A 289 -7.766 -3.998 1.201 1.00 0.21 H new ATOM 0 HB VAL A 289 -6.548 -3.284 3.902 1.00 0.20 H new ATOM 0 HG11 VAL A 289 -4.574 -4.549 3.165 1.00 0.23 H new ATOM 0 HG12 VAL A 289 -6.010 -5.589 3.319 1.00 0.23 H new ATOM 0 HG13 VAL A 289 -5.456 -5.070 1.710 1.00 0.23 H new ATOM 0 HG21 VAL A 289 -4.811 -2.175 2.537 1.00 0.20 H new ATOM 0 HG22 VAL A 289 -5.713 -2.594 1.061 1.00 0.20 H new ATOM 0 HG23 VAL A 289 -6.423 -1.476 2.251 1.00 0.20 H new ATOM 628 N ALA A 290 -9.063 -4.891 4.084 1.00 0.23 N ATOM 629 CA ALA A 290 -9.660 -6.001 4.822 1.00 0.27 C ATOM 630 C ALA A 290 -10.897 -6.546 4.114 1.00 0.29 C ATOM 631 O ALA A 290 -11.363 -7.644 4.419 1.00 0.37 O ATOM 632 CB ALA A 290 -10.011 -5.565 6.235 1.00 0.29 C ATOM 0 H ALA A 290 -9.173 -3.982 4.533 1.00 0.23 H new ATOM 0 HA ALA A 290 -8.924 -6.803 4.868 1.00 0.27 H new ATOM 0 HB1 ALA A 290 -10.455 -6.402 6.774 1.00 0.29 H new ATOM 0 HB2 ALA A 290 -9.107 -5.240 6.750 1.00 0.29 H new ATOM 0 HB3 ALA A 290 -10.723 -4.740 6.195 1.00 0.29 H new ATOM 638 N ALA A 291 -11.418 -5.779 3.165 1.00 0.29 N ATOM 639 CA ALA A 291 -12.598 -6.186 2.418 1.00 0.32 C ATOM 640 C ALA A 291 -12.227 -7.147 1.295 1.00 0.32 C ATOM 641 O ALA A 291 -13.032 -7.987 0.897 1.00 0.41 O ATOM 642 CB ALA A 291 -13.317 -4.967 1.858 1.00 0.38 C ATOM 0 H ALA A 291 -11.040 -4.871 2.895 1.00 0.29 H new ATOM 0 HA ALA A 291 -13.270 -6.706 3.101 1.00 0.32 H new ATOM 0 HB1 ALA A 291 -14.198 -5.288 1.302 1.00 0.38 H new ATOM 0 HB2 ALA A 291 -13.623 -4.316 2.677 1.00 0.38 H new ATOM 0 HB3 ALA A 291 -12.646 -4.423 1.193 1.00 0.38 H new ATOM 648 N ASP A 292 -11.002 -7.027 0.797 1.00 0.31 N ATOM 649 CA ASP A 292 -10.535 -7.889 -0.281 1.00 0.32 C ATOM 650 C ASP A 292 -10.128 -9.246 0.275 1.00 0.30 C ATOM 651 O ASP A 292 -10.819 -10.245 0.069 1.00 0.38 O ATOM 652 CB ASP A 292 -9.361 -7.247 -1.020 1.00 0.37 C ATOM 653 CG ASP A 292 -8.984 -8.014 -2.272 1.00 0.43 C ATOM 654 OD1 ASP A 292 -8.193 -8.972 -2.172 1.00 0.45 O ATOM 655 OD2 ASP A 292 -9.483 -7.663 -3.361 1.00 0.55 O ATOM 0 H ASP A 292 -10.317 -6.344 1.121 1.00 0.31 H new ATOM 0 HA ASP A 292 -11.351 -8.026 -0.991 1.00 0.32 H new ATOM 0 HB2 ASP A 292 -9.619 -6.222 -1.288 1.00 0.37 H new ATOM 0 HB3 ASP A 292 -8.499 -7.195 -0.354 1.00 0.37 H new ATOM 660 N GLY A 293 -9.008 -9.283 0.987 1.00 0.29 N ATOM 661 CA GLY A 293 -8.562 -10.530 1.575 1.00 0.33 C ATOM 662 C GLY A 293 -7.322 -11.114 0.926 1.00 0.33 C ATOM 663 O GLY A 293 -6.642 -11.942 1.532 1.00 0.39 O ATOM 0 H GLY A 293 -8.406 -8.479 1.166 1.00 0.29 H new ATOM 0 HA2 GLY A 293 -8.362 -10.368 2.634 1.00 0.33 H new ATOM 0 HA3 GLY A 293 -9.370 -11.259 1.510 1.00 0.33 H new ATOM 667 N ARG A 294 -7.021 -10.703 -0.300 1.00 0.31 N ATOM 668 CA ARG A 294 -5.847 -11.222 -0.996 1.00 0.32 C ATOM 669 C ARG A 294 -4.572 -10.590 -0.460 1.00 0.30 C ATOM 670 O ARG A 294 -3.489 -11.163 -0.571 1.00 0.37 O ATOM 671 CB ARG A 294 -5.969 -10.998 -2.501 1.00 0.35 C ATOM 672 CG ARG A 294 -7.012 -11.892 -3.149 1.00 0.41 C ATOM 673 CD ARG A 294 -7.292 -11.483 -4.582 1.00 0.44 C ATOM 674 NE ARG A 294 -8.144 -10.302 -4.652 1.00 0.43 N ATOM 675 CZ ARG A 294 -8.820 -9.935 -5.737 1.00 0.54 C ATOM 676 NH1 ARG A 294 -8.730 -10.652 -6.858 1.00 0.68 N ATOM 677 NH2 ARG A 294 -9.574 -8.846 -5.697 1.00 0.58 N ATOM 0 H ARG A 294 -7.565 -10.021 -0.828 1.00 0.31 H new ATOM 0 HA ARG A 294 -5.794 -12.295 -0.813 1.00 0.32 H new ATOM 0 HB2 ARG A 294 -6.225 -9.955 -2.688 1.00 0.35 H new ATOM 0 HB3 ARG A 294 -5.002 -11.178 -2.970 1.00 0.35 H new ATOM 0 HG2 ARG A 294 -6.669 -12.926 -3.127 1.00 0.41 H new ATOM 0 HG3 ARG A 294 -7.936 -11.850 -2.572 1.00 0.41 H new ATOM 0 HD2 ARG A 294 -6.350 -11.283 -5.093 1.00 0.44 H new ATOM 0 HD3 ARG A 294 -7.771 -12.308 -5.108 1.00 0.44 H new ATOM 0 HE ARG A 294 -8.227 -9.721 -3.817 1.00 0.43 H new ATOM 0 HH11 ARG A 294 -8.141 -11.485 -6.885 1.00 0.68 H new ATOM 0 HH12 ARG A 294 -9.250 -10.368 -7.688 1.00 0.68 H new ATOM 0 HH21 ARG A 294 -9.632 -8.297 -4.839 1.00 0.58 H new ATOM 0 HH22 ARG A 294 -10.096 -8.557 -6.524 1.00 0.58 H new ATOM 691 N ILE A 295 -4.708 -9.409 0.120 1.00 0.26 N ATOM 692 CA ILE A 295 -3.573 -8.710 0.699 1.00 0.25 C ATOM 693 C ILE A 295 -3.399 -9.141 2.151 1.00 0.25 C ATOM 694 O ILE A 295 -4.363 -9.152 2.919 1.00 0.29 O ATOM 695 CB ILE A 295 -3.758 -7.178 0.635 1.00 0.25 C ATOM 696 CG1 ILE A 295 -4.120 -6.749 -0.785 1.00 0.27 C ATOM 697 CG2 ILE A 295 -2.491 -6.467 1.089 1.00 0.27 C ATOM 698 CD1 ILE A 295 -4.654 -5.337 -0.875 1.00 0.37 C ATOM 0 H ILE A 295 -5.596 -8.913 0.202 1.00 0.26 H new ATOM 0 HA ILE A 295 -2.686 -8.967 0.121 1.00 0.25 H new ATOM 0 HB ILE A 295 -4.571 -6.901 1.306 1.00 0.25 H new ATOM 0 HG12 ILE A 295 -3.237 -6.835 -1.418 1.00 0.27 H new ATOM 0 HG13 ILE A 295 -4.866 -7.436 -1.184 1.00 0.27 H new ATOM 0 HG21 ILE A 295 -2.640 -5.389 1.037 1.00 0.27 H new ATOM 0 HG22 ILE A 295 -2.262 -6.753 2.116 1.00 0.27 H new ATOM 0 HG23 ILE A 295 -1.662 -6.750 0.440 1.00 0.27 H new ATOM 0 HD11 ILE A 295 -4.889 -5.103 -1.913 1.00 0.37 H new ATOM 0 HD12 ILE A 295 -5.556 -5.250 -0.270 1.00 0.37 H new ATOM 0 HD13 ILE A 295 -3.902 -4.639 -0.507 1.00 0.37 H new ATOM 710 N GLU A 296 -2.185 -9.515 2.519 1.00 0.24 N ATOM 711 CA GLU A 296 -1.908 -9.959 3.875 1.00 0.26 C ATOM 712 C GLU A 296 -0.548 -9.437 4.344 1.00 0.24 C ATOM 713 O GLU A 296 0.266 -9.002 3.524 1.00 0.22 O ATOM 714 CB GLU A 296 -1.944 -11.491 3.929 1.00 0.31 C ATOM 715 CG GLU A 296 -0.839 -12.153 3.120 1.00 0.36 C ATOM 716 CD GLU A 296 -1.117 -13.608 2.826 1.00 0.49 C ATOM 717 OE1 GLU A 296 -1.530 -14.340 3.749 1.00 0.69 O ATOM 718 OE2 GLU A 296 -0.923 -14.029 1.665 1.00 0.56 O ATOM 0 H GLU A 296 -1.376 -9.520 1.898 1.00 0.24 H new ATOM 0 HA GLU A 296 -2.671 -9.560 4.544 1.00 0.26 H new ATOM 0 HB2 GLU A 296 -1.865 -11.812 4.968 1.00 0.31 H new ATOM 0 HB3 GLU A 296 -2.910 -11.837 3.561 1.00 0.31 H new ATOM 0 HG2 GLU A 296 -0.712 -11.616 2.180 1.00 0.36 H new ATOM 0 HG3 GLU A 296 0.102 -12.071 3.664 1.00 0.36 H new ATOM 725 N PRO A 297 -0.290 -9.445 5.665 1.00 0.26 N ATOM 726 CA PRO A 297 0.987 -8.992 6.215 1.00 0.27 C ATOM 727 C PRO A 297 2.156 -9.742 5.585 1.00 0.27 C ATOM 728 O PRO A 297 2.151 -10.974 5.512 1.00 0.41 O ATOM 729 CB PRO A 297 0.877 -9.312 7.708 1.00 0.32 C ATOM 730 CG PRO A 297 -0.583 -9.371 7.985 1.00 0.34 C ATOM 731 CD PRO A 297 -1.222 -9.881 6.725 1.00 0.32 C ATOM 0 HA PRO A 297 1.174 -7.936 6.021 1.00 0.27 H new ATOM 0 HB2 PRO A 297 1.362 -10.259 7.945 1.00 0.32 H new ATOM 0 HB3 PRO A 297 1.362 -8.546 8.312 1.00 0.32 H new ATOM 0 HG2 PRO A 297 -0.794 -10.032 8.825 1.00 0.34 H new ATOM 0 HG3 PRO A 297 -0.970 -8.387 8.249 1.00 0.34 H new ATOM 0 HD2 PRO A 297 -1.332 -10.965 6.741 1.00 0.32 H new ATOM 0 HD3 PRO A 297 -2.218 -9.461 6.582 1.00 0.32 H new ATOM 739 N GLY A 298 3.142 -9.000 5.120 1.00 0.27 N ATOM 740 CA GLY A 298 4.287 -9.613 4.490 1.00 0.28 C ATOM 741 C GLY A 298 4.327 -9.335 3.002 1.00 0.25 C ATOM 742 O GLY A 298 5.364 -9.503 2.362 1.00 0.29 O ATOM 0 H GLY A 298 3.171 -7.982 5.167 1.00 0.27 H new ATOM 0 HA2 GLY A 298 5.200 -9.240 4.954 1.00 0.28 H new ATOM 0 HA3 GLY A 298 4.261 -10.690 4.658 1.00 0.28 H new ATOM 746 N ASP A 299 3.192 -8.919 2.445 1.00 0.22 N ATOM 747 CA ASP A 299 3.110 -8.604 1.023 1.00 0.22 C ATOM 748 C ASP A 299 3.881 -7.326 0.736 1.00 0.20 C ATOM 749 O ASP A 299 3.863 -6.388 1.536 1.00 0.21 O ATOM 750 CB ASP A 299 1.653 -8.444 0.575 1.00 0.24 C ATOM 751 CG ASP A 299 0.938 -9.770 0.393 1.00 0.27 C ATOM 752 OD1 ASP A 299 1.611 -10.791 0.133 1.00 0.34 O ATOM 753 OD2 ASP A 299 -0.305 -9.800 0.502 1.00 0.28 O ATOM 0 H ASP A 299 2.319 -8.793 2.956 1.00 0.22 H new ATOM 0 HA ASP A 299 3.549 -9.430 0.464 1.00 0.22 H new ATOM 0 HB2 ASP A 299 1.116 -7.846 1.312 1.00 0.24 H new ATOM 0 HB3 ASP A 299 1.626 -7.892 -0.364 1.00 0.24 H new ATOM 758 N MET A 300 4.565 -7.292 -0.396 1.00 0.21 N ATOM 759 CA MET A 300 5.353 -6.128 -0.771 1.00 0.21 C ATOM 760 C MET A 300 4.595 -5.247 -1.758 1.00 0.19 C ATOM 761 O MET A 300 4.034 -5.738 -2.739 1.00 0.21 O ATOM 762 CB MET A 300 6.687 -6.574 -1.378 1.00 0.27 C ATOM 763 CG MET A 300 7.606 -5.424 -1.761 1.00 0.32 C ATOM 764 SD MET A 300 9.301 -5.961 -2.070 1.00 0.50 S ATOM 765 CE MET A 300 9.056 -7.156 -3.383 1.00 1.26 C ATOM 0 H MET A 300 4.591 -8.056 -1.071 1.00 0.21 H new ATOM 0 HA MET A 300 5.545 -5.541 0.127 1.00 0.21 H new ATOM 0 HB2 MET A 300 7.203 -7.216 -0.664 1.00 0.27 H new ATOM 0 HB3 MET A 300 6.488 -7.177 -2.264 1.00 0.27 H new ATOM 0 HG2 MET A 300 7.216 -4.934 -2.653 1.00 0.32 H new ATOM 0 HG3 MET A 300 7.604 -4.681 -0.963 1.00 0.32 H new ATOM 0 HE1 MET A 300 9.922 -7.152 -4.045 1.00 1.26 H new ATOM 0 HE2 MET A 300 8.933 -8.150 -2.952 1.00 1.26 H new ATOM 0 HE3 MET A 300 8.164 -6.894 -3.952 1.00 1.26 H new ATOM 775 N LEU A 301 4.580 -3.946 -1.491 1.00 0.19 N ATOM 776 CA LEU A 301 3.899 -2.992 -2.356 1.00 0.19 C ATOM 777 C LEU A 301 4.844 -2.509 -3.446 1.00 0.20 C ATOM 778 O LEU A 301 5.975 -2.112 -3.163 1.00 0.24 O ATOM 779 CB LEU A 301 3.399 -1.794 -1.548 1.00 0.23 C ATOM 780 CG LEU A 301 2.308 -2.095 -0.520 1.00 0.33 C ATOM 781 CD1 LEU A 301 1.958 -0.841 0.265 1.00 0.48 C ATOM 782 CD2 LEU A 301 1.075 -2.667 -1.202 1.00 0.47 C ATOM 0 H LEU A 301 5.034 -3.527 -0.679 1.00 0.19 H new ATOM 0 HA LEU A 301 3.044 -3.493 -2.811 1.00 0.19 H new ATOM 0 HB2 LEU A 301 4.248 -1.349 -1.029 1.00 0.23 H new ATOM 0 HB3 LEU A 301 3.021 -1.043 -2.242 1.00 0.23 H new ATOM 0 HG LEU A 301 2.686 -2.841 0.179 1.00 0.33 H new ATOM 0 HD11 LEU A 301 1.180 -1.072 0.992 1.00 0.48 H new ATOM 0 HD12 LEU A 301 2.845 -0.478 0.785 1.00 0.48 H new ATOM 0 HD13 LEU A 301 1.598 -0.072 -0.419 1.00 0.48 H new ATOM 0 HD21 LEU A 301 0.309 -2.875 -0.455 1.00 0.47 H new ATOM 0 HD22 LEU A 301 0.691 -1.946 -1.924 1.00 0.47 H new ATOM 0 HD23 LEU A 301 1.340 -3.590 -1.717 1.00 0.47 H new ATOM 794 N LEU A 302 4.386 -2.552 -4.688 1.00 0.20 N ATOM 795 CA LEU A 302 5.209 -2.114 -5.805 1.00 0.22 C ATOM 796 C LEU A 302 4.614 -0.886 -6.482 1.00 0.22 C ATOM 797 O LEU A 302 5.237 0.172 -6.522 1.00 0.29 O ATOM 798 CB LEU A 302 5.374 -3.232 -6.837 1.00 0.27 C ATOM 799 CG LEU A 302 6.114 -4.481 -6.350 1.00 0.37 C ATOM 800 CD1 LEU A 302 6.385 -5.420 -7.512 1.00 0.53 C ATOM 801 CD2 LEU A 302 7.415 -4.103 -5.658 1.00 0.46 C ATOM 0 H LEU A 302 3.457 -2.883 -4.947 1.00 0.20 H new ATOM 0 HA LEU A 302 6.187 -1.854 -5.400 1.00 0.22 H new ATOM 0 HB2 LEU A 302 4.385 -3.530 -7.184 1.00 0.27 H new ATOM 0 HB3 LEU A 302 5.906 -2.830 -7.699 1.00 0.27 H new ATOM 0 HG LEU A 302 5.480 -4.994 -5.627 1.00 0.37 H new ATOM 0 HD11 LEU A 302 6.912 -6.303 -7.151 1.00 0.53 H new ATOM 0 HD12 LEU A 302 5.440 -5.721 -7.965 1.00 0.53 H new ATOM 0 HD13 LEU A 302 6.998 -4.911 -8.256 1.00 0.53 H new ATOM 0 HD21 LEU A 302 7.923 -5.006 -5.321 1.00 0.46 H new ATOM 0 HD22 LEU A 302 8.056 -3.565 -6.357 1.00 0.46 H new ATOM 0 HD23 LEU A 302 7.199 -3.466 -4.800 1.00 0.46 H new ATOM 813 N GLN A 303 3.405 -1.029 -7.003 1.00 0.21 N ATOM 814 CA GLN A 303 2.745 0.062 -7.704 1.00 0.22 C ATOM 815 C GLN A 303 1.355 0.321 -7.131 1.00 0.21 C ATOM 816 O GLN A 303 0.595 -0.613 -6.875 1.00 0.25 O ATOM 817 CB GLN A 303 2.661 -0.274 -9.195 1.00 0.27 C ATOM 818 CG GLN A 303 1.984 0.789 -10.039 1.00 0.32 C ATOM 819 CD GLN A 303 1.863 0.383 -11.495 1.00 0.51 C ATOM 820 OE1 GLN A 303 0.895 0.731 -12.167 1.00 0.68 O ATOM 821 NE2 GLN A 303 2.845 -0.353 -11.992 1.00 0.73 N ATOM 0 H GLN A 303 2.861 -1.890 -6.954 1.00 0.21 H new ATOM 0 HA GLN A 303 3.329 0.973 -7.571 1.00 0.22 H new ATOM 0 HB2 GLN A 303 3.669 -0.436 -9.576 1.00 0.27 H new ATOM 0 HB3 GLN A 303 2.121 -1.213 -9.314 1.00 0.27 H new ATOM 0 HG2 GLN A 303 0.991 0.990 -9.637 1.00 0.32 H new ATOM 0 HG3 GLN A 303 2.550 1.718 -9.970 1.00 0.32 H new ATOM 0 HE21 GLN A 303 3.631 -0.621 -11.400 1.00 0.73 H new ATOM 0 HE22 GLN A 303 2.815 -0.652 -12.967 1.00 0.73 H new ATOM 830 N VAL A 304 1.030 1.588 -6.926 1.00 0.20 N ATOM 831 CA VAL A 304 -0.265 1.969 -6.384 1.00 0.21 C ATOM 832 C VAL A 304 -0.947 2.973 -7.302 1.00 0.22 C ATOM 833 O VAL A 304 -0.735 4.176 -7.182 1.00 0.26 O ATOM 834 CB VAL A 304 -0.137 2.577 -4.971 1.00 0.24 C ATOM 835 CG1 VAL A 304 -1.508 2.872 -4.386 1.00 0.29 C ATOM 836 CG2 VAL A 304 0.643 1.650 -4.052 1.00 0.27 C ATOM 0 H VAL A 304 1.649 2.373 -7.128 1.00 0.20 H new ATOM 0 HA VAL A 304 -0.866 1.062 -6.315 1.00 0.21 H new ATOM 0 HB VAL A 304 0.411 3.516 -5.057 1.00 0.24 H new ATOM 0 HG11 VAL A 304 -1.394 3.300 -3.390 1.00 0.29 H new ATOM 0 HG12 VAL A 304 -2.033 3.580 -5.027 1.00 0.29 H new ATOM 0 HG13 VAL A 304 -2.082 1.948 -4.320 1.00 0.29 H new ATOM 0 HG21 VAL A 304 0.720 2.100 -3.062 1.00 0.27 H new ATOM 0 HG22 VAL A 304 0.126 0.693 -3.977 1.00 0.27 H new ATOM 0 HG23 VAL A 304 1.642 1.492 -4.458 1.00 0.27 H new ATOM 846 N ASN A 305 -1.759 2.459 -8.222 1.00 0.27 N ATOM 847 CA ASN A 305 -2.484 3.285 -9.187 1.00 0.33 C ATOM 848 C ASN A 305 -1.525 4.107 -10.045 1.00 0.31 C ATOM 849 O ASN A 305 -1.291 5.288 -9.786 1.00 0.34 O ATOM 850 CB ASN A 305 -3.499 4.200 -8.484 1.00 0.39 C ATOM 851 CG ASN A 305 -4.526 4.782 -9.443 1.00 0.78 C ATOM 852 OD1 ASN A 305 -4.459 5.953 -9.820 1.00 1.71 O ATOM 853 ND2 ASN A 305 -5.489 3.965 -9.850 1.00 1.14 N ATOM 0 H ASN A 305 -1.934 1.459 -8.321 1.00 0.27 H new ATOM 0 HA ASN A 305 -3.033 2.611 -9.845 1.00 0.33 H new ATOM 0 HB2 ASN A 305 -4.013 3.636 -7.706 1.00 0.39 H new ATOM 0 HB3 ASN A 305 -2.968 5.013 -7.990 1.00 0.39 H new ATOM 0 HD21 ASN A 305 -6.204 4.301 -10.495 1.00 1.14 H new ATOM 0 HD22 ASN A 305 -5.514 3.001 -9.518 1.00 1.14 H new ATOM 860 N ASP A 306 -0.949 3.438 -11.044 1.00 0.32 N ATOM 861 CA ASP A 306 -0.015 4.045 -12.004 1.00 0.35 C ATOM 862 C ASP A 306 1.375 4.307 -11.418 1.00 0.31 C ATOM 863 O ASP A 306 2.368 3.808 -11.948 1.00 0.35 O ATOM 864 CB ASP A 306 -0.583 5.340 -12.594 1.00 0.42 C ATOM 865 CG ASP A 306 -1.024 5.178 -14.034 1.00 0.66 C ATOM 866 OD1 ASP A 306 -0.150 5.128 -14.927 1.00 1.06 O ATOM 867 OD2 ASP A 306 -2.247 5.108 -14.281 1.00 1.11 O ATOM 0 H ASP A 306 -1.117 2.447 -11.215 1.00 0.32 H new ATOM 0 HA ASP A 306 0.105 3.308 -12.798 1.00 0.35 H new ATOM 0 HB2 ASP A 306 -1.431 5.668 -11.993 1.00 0.42 H new ATOM 0 HB3 ASP A 306 0.172 6.124 -12.535 1.00 0.42 H new ATOM 872 N VAL A 307 1.456 5.078 -10.338 1.00 0.30 N ATOM 873 CA VAL A 307 2.750 5.401 -9.737 1.00 0.29 C ATOM 874 C VAL A 307 3.458 4.149 -9.215 1.00 0.25 C ATOM 875 O VAL A 307 2.869 3.323 -8.509 1.00 0.28 O ATOM 876 CB VAL A 307 2.630 6.450 -8.608 1.00 0.34 C ATOM 877 CG1 VAL A 307 2.106 7.768 -9.153 1.00 0.71 C ATOM 878 CG2 VAL A 307 1.741 5.951 -7.482 1.00 0.53 C ATOM 0 H VAL A 307 0.652 5.488 -9.864 1.00 0.30 H new ATOM 0 HA VAL A 307 3.353 5.836 -10.534 1.00 0.29 H new ATOM 0 HB VAL A 307 3.628 6.614 -8.201 1.00 0.34 H new ATOM 0 HG11 VAL A 307 2.029 8.492 -8.342 1.00 0.71 H new ATOM 0 HG12 VAL A 307 2.790 8.145 -9.913 1.00 0.71 H new ATOM 0 HG13 VAL A 307 1.122 7.613 -9.596 1.00 0.71 H new ATOM 0 HG21 VAL A 307 1.677 6.712 -6.704 1.00 0.53 H new ATOM 0 HG22 VAL A 307 0.744 5.745 -7.870 1.00 0.53 H new ATOM 0 HG23 VAL A 307 2.163 5.038 -7.063 1.00 0.53 H new ATOM 888 N ASN A 308 4.721 4.012 -9.585 1.00 0.25 N ATOM 889 CA ASN A 308 5.524 2.863 -9.192 1.00 0.25 C ATOM 890 C ASN A 308 6.568 3.252 -8.151 1.00 0.24 C ATOM 891 O ASN A 308 7.247 4.271 -8.288 1.00 0.33 O ATOM 892 CB ASN A 308 6.205 2.271 -10.426 1.00 0.33 C ATOM 893 CG ASN A 308 6.711 0.863 -10.194 1.00 0.46 C ATOM 894 OD1 ASN A 308 6.190 0.134 -9.351 1.00 0.58 O ATOM 895 ND2 ASN A 308 7.727 0.472 -10.943 1.00 0.74 N ATOM 0 H ASN A 308 5.217 4.690 -10.163 1.00 0.25 H new ATOM 0 HA ASN A 308 4.867 2.117 -8.744 1.00 0.25 H new ATOM 0 HB2 ASN A 308 5.501 2.267 -11.258 1.00 0.33 H new ATOM 0 HB3 ASN A 308 7.039 2.909 -10.717 1.00 0.33 H new ATOM 0 HD21 ASN A 308 8.109 -0.467 -10.834 1.00 0.74 H new ATOM 0 HD22 ASN A 308 8.129 1.109 -11.630 1.00 0.74 H new ATOM 902 N PHE A 309 6.697 2.430 -7.118 1.00 0.22 N ATOM 903 CA PHE A 309 7.652 2.687 -6.045 1.00 0.24 C ATOM 904 C PHE A 309 8.755 1.629 -6.022 1.00 0.26 C ATOM 905 O PHE A 309 9.445 1.469 -5.017 1.00 0.30 O ATOM 906 CB PHE A 309 6.947 2.711 -4.682 1.00 0.28 C ATOM 907 CG PHE A 309 5.762 3.636 -4.613 1.00 0.26 C ATOM 908 CD1 PHE A 309 5.911 5.003 -4.790 1.00 0.29 C ATOM 909 CD2 PHE A 309 4.495 3.130 -4.374 1.00 0.31 C ATOM 910 CE1 PHE A 309 4.818 5.846 -4.725 1.00 0.33 C ATOM 911 CE2 PHE A 309 3.399 3.968 -4.308 1.00 0.33 C ATOM 912 CZ PHE A 309 3.560 5.328 -4.486 1.00 0.33 C ATOM 0 H PHE A 309 6.151 1.577 -6.999 1.00 0.22 H new ATOM 0 HA PHE A 309 8.100 3.662 -6.237 1.00 0.24 H new ATOM 0 HB2 PHE A 309 6.619 1.701 -4.438 1.00 0.28 H new ATOM 0 HB3 PHE A 309 7.667 3.005 -3.919 1.00 0.28 H new ATOM 0 HD1 PHE A 309 6.892 5.413 -4.981 1.00 0.29 H new ATOM 0 HD2 PHE A 309 4.362 2.067 -4.238 1.00 0.31 H new ATOM 0 HE1 PHE A 309 4.947 6.910 -4.861 1.00 0.33 H new ATOM 0 HE2 PHE A 309 2.417 3.560 -4.117 1.00 0.33 H new ATOM 0 HZ PHE A 309 2.704 5.985 -4.438 1.00 0.33 H new ATOM 922 N GLU A 310 8.918 0.915 -7.132 1.00 0.29 N ATOM 923 CA GLU A 310 9.935 -0.134 -7.233 1.00 0.33 C ATOM 924 C GLU A 310 11.340 0.418 -6.997 1.00 0.35 C ATOM 925 O GLU A 310 12.184 -0.251 -6.401 1.00 0.47 O ATOM 926 CB GLU A 310 9.864 -0.823 -8.598 1.00 0.40 C ATOM 927 CG GLU A 310 8.800 -1.906 -8.674 1.00 0.54 C ATOM 928 CD GLU A 310 8.837 -2.675 -9.976 1.00 0.67 C ATOM 929 OE1 GLU A 310 8.212 -2.227 -10.962 1.00 1.04 O ATOM 930 OE2 GLU A 310 9.486 -3.738 -10.028 1.00 1.21 O ATOM 0 H GLU A 310 8.360 1.042 -7.976 1.00 0.29 H new ATOM 0 HA GLU A 310 9.726 -0.866 -6.453 1.00 0.33 H new ATOM 0 HB2 GLU A 310 9.665 -0.074 -9.365 1.00 0.40 H new ATOM 0 HB3 GLU A 310 10.835 -1.262 -8.826 1.00 0.40 H new ATOM 0 HG2 GLU A 310 8.934 -2.600 -7.844 1.00 0.54 H new ATOM 0 HG3 GLU A 310 7.817 -1.452 -8.554 1.00 0.54 H new ATOM 937 N ASN A 311 11.588 1.628 -7.465 1.00 0.35 N ATOM 938 CA ASN A 311 12.891 2.258 -7.290 1.00 0.41 C ATOM 939 C ASN A 311 12.752 3.570 -6.527 1.00 0.37 C ATOM 940 O ASN A 311 13.271 4.609 -6.941 1.00 0.48 O ATOM 941 CB ASN A 311 13.556 2.503 -8.646 1.00 0.54 C ATOM 942 CG ASN A 311 15.042 2.202 -8.623 1.00 0.89 C ATOM 943 OD1 ASN A 311 15.855 3.025 -8.198 1.00 1.27 O ATOM 944 ND2 ASN A 311 15.407 1.020 -9.090 1.00 1.32 N ATOM 0 H ASN A 311 10.907 2.196 -7.969 1.00 0.35 H new ATOM 0 HA ASN A 311 13.521 1.583 -6.711 1.00 0.41 H new ATOM 0 HB2 ASN A 311 13.074 1.883 -9.402 1.00 0.54 H new ATOM 0 HB3 ASN A 311 13.403 3.541 -8.941 1.00 0.54 H new ATOM 0 HD21 ASN A 311 16.393 0.761 -9.108 1.00 1.32 H new ATOM 0 HD22 ASN A 311 14.702 0.367 -9.433 1.00 1.32 H new ATOM 951 N MET A 312 12.041 3.518 -5.413 1.00 0.30 N ATOM 952 CA MET A 312 11.829 4.695 -4.579 1.00 0.28 C ATOM 953 C MET A 312 12.163 4.384 -3.125 1.00 0.26 C ATOM 954 O MET A 312 12.085 3.233 -2.696 1.00 0.34 O ATOM 955 CB MET A 312 10.379 5.168 -4.702 1.00 0.28 C ATOM 956 CG MET A 312 10.244 6.637 -5.067 1.00 0.39 C ATOM 957 SD MET A 312 8.531 7.121 -5.367 1.00 0.37 S ATOM 958 CE MET A 312 8.716 8.871 -5.701 1.00 0.51 C ATOM 0 H MET A 312 11.598 2.669 -5.062 1.00 0.30 H new ATOM 0 HA MET A 312 12.490 5.491 -4.921 1.00 0.28 H new ATOM 0 HB2 MET A 312 9.873 4.567 -5.458 1.00 0.28 H new ATOM 0 HB3 MET A 312 9.866 4.989 -3.757 1.00 0.28 H new ATOM 0 HG2 MET A 312 10.655 7.247 -4.263 1.00 0.39 H new ATOM 0 HG3 MET A 312 10.837 6.843 -5.958 1.00 0.39 H new ATOM 0 HE1 MET A 312 7.755 9.370 -5.572 1.00 0.51 H new ATOM 0 HE2 MET A 312 9.443 9.298 -5.010 1.00 0.51 H new ATOM 0 HE3 MET A 312 9.063 9.011 -6.725 1.00 0.51 H new ATOM 968 N SER A 313 12.553 5.405 -2.376 1.00 0.26 N ATOM 969 CA SER A 313 12.899 5.230 -0.974 1.00 0.28 C ATOM 970 C SER A 313 11.649 4.914 -0.148 1.00 0.24 C ATOM 971 O SER A 313 10.537 5.270 -0.547 1.00 0.26 O ATOM 972 CB SER A 313 13.577 6.497 -0.448 1.00 0.36 C ATOM 973 OG SER A 313 13.944 7.362 -1.518 1.00 0.97 O ATOM 0 H SER A 313 12.638 6.363 -2.716 1.00 0.26 H new ATOM 0 HA SER A 313 13.590 4.392 -0.883 1.00 0.28 H new ATOM 0 HB2 SER A 313 12.903 7.019 0.231 1.00 0.36 H new ATOM 0 HB3 SER A 313 14.463 6.228 0.127 1.00 0.36 H new ATOM 0 HG SER A 313 13.186 7.940 -1.746 1.00 0.97 H new ATOM 979 N ASN A 314 11.842 4.252 0.996 1.00 0.26 N ATOM 980 CA ASN A 314 10.734 3.884 1.891 1.00 0.27 C ATOM 981 C ASN A 314 9.826 5.075 2.166 1.00 0.25 C ATOM 982 O ASN A 314 8.605 4.990 2.019 1.00 0.33 O ATOM 983 CB ASN A 314 11.263 3.364 3.233 1.00 0.35 C ATOM 984 CG ASN A 314 11.981 2.033 3.133 1.00 0.37 C ATOM 985 OD1 ASN A 314 11.691 1.208 2.264 1.00 0.45 O ATOM 986 ND2 ASN A 314 12.924 1.816 4.035 1.00 0.48 N ATOM 0 H ASN A 314 12.760 3.957 1.328 1.00 0.26 H new ATOM 0 HA ASN A 314 10.168 3.102 1.386 1.00 0.27 H new ATOM 0 HB2 ASN A 314 11.944 4.103 3.655 1.00 0.35 H new ATOM 0 HB3 ASN A 314 10.429 3.265 3.928 1.00 0.35 H new ATOM 0 HD21 ASN A 314 13.443 0.938 4.029 1.00 0.48 H new ATOM 0 HD22 ASN A 314 13.132 2.527 4.737 1.00 0.48 H new ATOM 993 N ASP A 315 10.442 6.184 2.565 1.00 0.26 N ATOM 994 CA ASP A 315 9.718 7.410 2.880 1.00 0.28 C ATOM 995 C ASP A 315 8.893 7.880 1.696 1.00 0.23 C ATOM 996 O ASP A 315 7.688 8.088 1.815 1.00 0.24 O ATOM 997 CB ASP A 315 10.693 8.522 3.282 1.00 0.37 C ATOM 998 CG ASP A 315 11.638 8.101 4.383 1.00 0.83 C ATOM 999 OD1 ASP A 315 11.228 8.115 5.562 1.00 1.36 O ATOM 1000 OD2 ASP A 315 12.794 7.750 4.073 1.00 1.40 O ATOM 0 H ASP A 315 11.453 6.258 2.679 1.00 0.26 H new ATOM 0 HA ASP A 315 9.050 7.189 3.712 1.00 0.28 H new ATOM 0 HB2 ASP A 315 11.271 8.825 2.409 1.00 0.37 H new ATOM 0 HB3 ASP A 315 10.127 9.395 3.609 1.00 0.37 H new ATOM 1005 N ASP A 316 9.550 8.017 0.549 1.00 0.23 N ATOM 1006 CA ASP A 316 8.905 8.488 -0.677 1.00 0.24 C ATOM 1007 C ASP A 316 7.708 7.625 -1.051 1.00 0.19 C ATOM 1008 O ASP A 316 6.669 8.141 -1.464 1.00 0.20 O ATOM 1009 CB ASP A 316 9.907 8.513 -1.835 1.00 0.32 C ATOM 1010 CG ASP A 316 10.933 9.616 -1.693 1.00 0.50 C ATOM 1011 OD1 ASP A 316 10.534 10.787 -1.538 1.00 0.69 O ATOM 1012 OD2 ASP A 316 12.146 9.315 -1.729 1.00 0.88 O ATOM 0 H ASP A 316 10.542 7.806 0.440 1.00 0.23 H new ATOM 0 HA ASP A 316 8.547 9.500 -0.487 1.00 0.24 H new ATOM 0 HB2 ASP A 316 10.418 7.552 -1.889 1.00 0.32 H new ATOM 0 HB3 ASP A 316 9.368 8.641 -2.774 1.00 0.32 H new ATOM 1017 N ALA A 317 7.856 6.320 -0.887 1.00 0.17 N ATOM 1018 CA ALA A 317 6.794 5.379 -1.210 1.00 0.16 C ATOM 1019 C ALA A 317 5.520 5.688 -0.429 1.00 0.14 C ATOM 1020 O ALA A 317 4.431 5.753 -1.002 1.00 0.17 O ATOM 1021 CB ALA A 317 7.257 3.958 -0.934 1.00 0.20 C ATOM 0 H ALA A 317 8.707 5.886 -0.530 1.00 0.17 H new ATOM 0 HA ALA A 317 6.563 5.478 -2.271 1.00 0.16 H new ATOM 0 HB1 ALA A 317 6.456 3.260 -1.178 1.00 0.20 H new ATOM 0 HB2 ALA A 317 8.132 3.735 -1.545 1.00 0.20 H new ATOM 0 HB3 ALA A 317 7.516 3.858 0.120 1.00 0.20 H new ATOM 1027 N VAL A 318 5.652 5.898 0.876 1.00 0.12 N ATOM 1028 CA VAL A 318 4.489 6.193 1.710 1.00 0.12 C ATOM 1029 C VAL A 318 4.051 7.646 1.551 1.00 0.11 C ATOM 1030 O VAL A 318 2.866 7.959 1.685 1.00 0.14 O ATOM 1031 CB VAL A 318 4.736 5.891 3.205 1.00 0.15 C ATOM 1032 CG1 VAL A 318 3.422 5.610 3.919 1.00 0.18 C ATOM 1033 CG2 VAL A 318 5.691 4.720 3.365 1.00 0.21 C ATOM 0 H VAL A 318 6.541 5.870 1.376 1.00 0.12 H new ATOM 0 HA VAL A 318 3.694 5.533 1.362 1.00 0.12 H new ATOM 0 HB VAL A 318 5.193 6.770 3.660 1.00 0.15 H new ATOM 0 HG11 VAL A 318 3.617 5.400 4.971 1.00 0.18 H new ATOM 0 HG12 VAL A 318 2.770 6.480 3.838 1.00 0.18 H new ATOM 0 HG13 VAL A 318 2.936 4.749 3.461 1.00 0.18 H new ATOM 0 HG21 VAL A 318 5.852 4.524 4.425 1.00 0.21 H new ATOM 0 HG22 VAL A 318 5.264 3.835 2.893 1.00 0.21 H new ATOM 0 HG23 VAL A 318 6.643 4.960 2.892 1.00 0.21 H new ATOM 1043 N ARG A 319 5.008 8.524 1.246 1.00 0.12 N ATOM 1044 CA ARG A 319 4.721 9.946 1.055 1.00 0.16 C ATOM 1045 C ARG A 319 3.641 10.129 -0.001 1.00 0.14 C ATOM 1046 O ARG A 319 2.652 10.826 0.225 1.00 0.22 O ATOM 1047 CB ARG A 319 5.981 10.710 0.633 1.00 0.21 C ATOM 1048 CG ARG A 319 6.910 11.074 1.785 1.00 0.35 C ATOM 1049 CD ARG A 319 8.185 11.741 1.279 1.00 0.40 C ATOM 1050 NE ARG A 319 9.162 11.955 2.345 1.00 0.50 N ATOM 1051 CZ ARG A 319 10.482 11.996 2.152 1.00 0.61 C ATOM 1052 NH1 ARG A 319 10.993 11.782 0.948 1.00 0.83 N ATOM 1053 NH2 ARG A 319 11.296 12.242 3.171 1.00 0.81 N ATOM 0 H ARG A 319 5.990 8.274 1.126 1.00 0.12 H new ATOM 0 HA ARG A 319 4.371 10.347 2.006 1.00 0.16 H new ATOM 0 HB2 ARG A 319 6.534 10.106 -0.087 1.00 0.21 H new ATOM 0 HB3 ARG A 319 5.682 11.624 0.120 1.00 0.21 H new ATOM 0 HG2 ARG A 319 6.395 11.744 2.473 1.00 0.35 H new ATOM 0 HG3 ARG A 319 7.165 10.176 2.347 1.00 0.35 H new ATOM 0 HD2 ARG A 319 8.631 11.123 0.500 1.00 0.40 H new ATOM 0 HD3 ARG A 319 7.934 12.698 0.822 1.00 0.40 H new ATOM 0 HE ARG A 319 8.813 12.081 3.295 1.00 0.50 H new ATOM 0 HH11 ARG A 319 10.376 11.584 0.160 1.00 0.83 H new ATOM 0 HH12 ARG A 319 12.003 11.815 0.809 1.00 0.83 H new ATOM 0 HH21 ARG A 319 10.913 12.400 4.103 1.00 0.81 H new ATOM 0 HH22 ARG A 319 12.305 12.273 3.022 1.00 0.81 H new ATOM 1067 N VAL A 320 3.827 9.482 -1.144 1.00 0.10 N ATOM 1068 CA VAL A 320 2.874 9.572 -2.240 1.00 0.10 C ATOM 1069 C VAL A 320 1.639 8.722 -1.951 1.00 0.09 C ATOM 1070 O VAL A 320 0.516 9.106 -2.277 1.00 0.11 O ATOM 1071 CB VAL A 320 3.508 9.116 -3.573 1.00 0.14 C ATOM 1072 CG1 VAL A 320 2.595 9.447 -4.743 1.00 0.17 C ATOM 1073 CG2 VAL A 320 4.879 9.752 -3.766 1.00 0.17 C ATOM 0 H VAL A 320 4.633 8.887 -1.336 1.00 0.10 H new ATOM 0 HA VAL A 320 2.581 10.618 -2.331 1.00 0.10 H new ATOM 0 HB VAL A 320 3.637 8.034 -3.534 1.00 0.14 H new ATOM 0 HG11 VAL A 320 3.060 9.118 -5.672 1.00 0.17 H new ATOM 0 HG12 VAL A 320 1.640 8.937 -4.615 1.00 0.17 H new ATOM 0 HG13 VAL A 320 2.429 10.524 -4.782 1.00 0.17 H new ATOM 0 HG21 VAL A 320 5.306 9.416 -4.711 1.00 0.17 H new ATOM 0 HG22 VAL A 320 4.778 10.837 -3.778 1.00 0.17 H new ATOM 0 HG23 VAL A 320 5.535 9.458 -2.947 1.00 0.17 H new ATOM 1083 N LEU A 321 1.857 7.574 -1.313 1.00 0.08 N ATOM 1084 CA LEU A 321 0.774 6.648 -0.974 1.00 0.09 C ATOM 1085 C LEU A 321 -0.328 7.334 -0.174 1.00 0.09 C ATOM 1086 O LEU A 321 -1.511 7.210 -0.494 1.00 0.10 O ATOM 1087 CB LEU A 321 1.321 5.464 -0.171 1.00 0.11 C ATOM 1088 CG LEU A 321 0.326 4.331 0.100 1.00 0.20 C ATOM 1089 CD1 LEU A 321 -0.364 3.896 -1.181 1.00 0.38 C ATOM 1090 CD2 LEU A 321 1.036 3.152 0.742 1.00 0.29 C ATOM 0 H LEU A 321 2.781 7.259 -1.018 1.00 0.08 H new ATOM 0 HA LEU A 321 0.345 6.294 -1.911 1.00 0.09 H new ATOM 0 HB2 LEU A 321 2.177 5.051 -0.704 1.00 0.11 H new ATOM 0 HB3 LEU A 321 1.690 5.836 0.785 1.00 0.11 H new ATOM 0 HG LEU A 321 -0.435 4.702 0.786 1.00 0.20 H new ATOM 0 HD11 LEU A 321 -1.065 3.091 -0.961 1.00 0.38 H new ATOM 0 HD12 LEU A 321 -0.904 4.741 -1.608 1.00 0.38 H new ATOM 0 HD13 LEU A 321 0.381 3.544 -1.894 1.00 0.38 H new ATOM 0 HD21 LEU A 321 0.318 2.353 0.930 1.00 0.29 H new ATOM 0 HD22 LEU A 321 1.816 2.789 0.073 1.00 0.29 H new ATOM 0 HD23 LEU A 321 1.484 3.466 1.685 1.00 0.29 H new ATOM 1102 N ARG A 322 0.066 8.067 0.856 1.00 0.10 N ATOM 1103 CA ARG A 322 -0.894 8.750 1.713 1.00 0.12 C ATOM 1104 C ARG A 322 -1.666 9.824 0.952 1.00 0.13 C ATOM 1105 O ARG A 322 -2.826 10.091 1.260 1.00 0.21 O ATOM 1106 CB ARG A 322 -0.191 9.339 2.934 1.00 0.15 C ATOM 1107 CG ARG A 322 0.565 8.303 3.751 1.00 0.19 C ATOM 1108 CD ARG A 322 0.824 8.797 5.163 1.00 0.34 C ATOM 1109 NE ARG A 322 -0.309 8.530 6.053 1.00 0.49 N ATOM 1110 CZ ARG A 322 -0.939 9.460 6.777 1.00 1.05 C ATOM 1111 NH1 ARG A 322 -0.554 10.729 6.725 1.00 1.57 N ATOM 1112 NH2 ARG A 322 -1.952 9.108 7.563 1.00 1.28 N ATOM 0 H ARG A 322 1.042 8.205 1.119 1.00 0.10 H new ATOM 0 HA ARG A 322 -1.622 8.014 2.054 1.00 0.12 H new ATOM 0 HB2 ARG A 322 0.505 10.111 2.606 1.00 0.15 H new ATOM 0 HB3 ARG A 322 -0.930 9.825 3.571 1.00 0.15 H new ATOM 0 HG2 ARG A 322 -0.008 7.376 3.787 1.00 0.19 H new ATOM 0 HG3 ARG A 322 1.513 8.073 3.264 1.00 0.19 H new ATOM 0 HD2 ARG A 322 1.718 8.314 5.558 1.00 0.34 H new ATOM 0 HD3 ARG A 322 1.024 9.868 5.142 1.00 0.34 H new ATOM 0 HE ARG A 322 -0.640 7.568 6.125 1.00 0.49 H new ATOM 0 HH11 ARG A 322 0.228 11.001 6.129 1.00 1.57 H new ATOM 0 HH12 ARG A 322 -1.040 11.433 7.281 1.00 1.57 H new ATOM 0 HH21 ARG A 322 -2.245 8.132 7.611 1.00 1.28 H new ATOM 0 HH22 ARG A 322 -2.436 9.814 8.118 1.00 1.28 H new ATOM 1126 N GLU A 323 -1.038 10.420 -0.052 1.00 0.12 N ATOM 1127 CA GLU A 323 -1.696 11.445 -0.847 1.00 0.15 C ATOM 1128 C GLU A 323 -2.812 10.819 -1.683 1.00 0.14 C ATOM 1129 O GLU A 323 -3.897 11.385 -1.821 1.00 0.21 O ATOM 1130 CB GLU A 323 -0.690 12.147 -1.760 1.00 0.20 C ATOM 1131 CG GLU A 323 0.475 12.783 -1.015 1.00 0.62 C ATOM 1132 CD GLU A 323 0.038 13.849 -0.029 1.00 1.27 C ATOM 1133 OE1 GLU A 323 -0.287 13.504 1.126 1.00 1.87 O ATOM 1134 OE2 GLU A 323 0.025 15.039 -0.398 1.00 1.76 O ATOM 0 H GLU A 323 -0.080 10.213 -0.333 1.00 0.12 H new ATOM 0 HA GLU A 323 -2.125 12.185 -0.172 1.00 0.15 H new ATOM 0 HB2 GLU A 323 -0.300 11.426 -2.478 1.00 0.20 H new ATOM 0 HB3 GLU A 323 -1.208 12.917 -2.332 1.00 0.20 H new ATOM 0 HG2 GLU A 323 1.025 12.007 -0.482 1.00 0.62 H new ATOM 0 HG3 GLU A 323 1.163 13.224 -1.736 1.00 0.62 H new ATOM 1141 N ILE A 324 -2.543 9.630 -2.210 1.00 0.12 N ATOM 1142 CA ILE A 324 -3.509 8.914 -3.032 1.00 0.14 C ATOM 1143 C ILE A 324 -4.667 8.389 -2.187 1.00 0.14 C ATOM 1144 O ILE A 324 -5.830 8.511 -2.567 1.00 0.18 O ATOM 1145 CB ILE A 324 -2.846 7.733 -3.770 1.00 0.18 C ATOM 1146 CG1 ILE A 324 -1.638 8.223 -4.571 1.00 0.21 C ATOM 1147 CG2 ILE A 324 -3.849 7.042 -4.688 1.00 0.23 C ATOM 1148 CD1 ILE A 324 -0.812 7.107 -5.168 1.00 0.29 C ATOM 0 H ILE A 324 -1.658 9.140 -2.081 1.00 0.12 H new ATOM 0 HA ILE A 324 -3.893 9.623 -3.766 1.00 0.14 H new ATOM 0 HB ILE A 324 -2.505 7.009 -3.030 1.00 0.18 H new ATOM 0 HG12 ILE A 324 -1.985 8.875 -5.373 1.00 0.21 H new ATOM 0 HG13 ILE A 324 -1.003 8.826 -3.922 1.00 0.21 H new ATOM 0 HG21 ILE A 324 -3.362 6.212 -5.200 1.00 0.23 H new ATOM 0 HG22 ILE A 324 -4.683 6.665 -4.097 1.00 0.23 H new ATOM 0 HG23 ILE A 324 -4.219 7.755 -5.425 1.00 0.23 H new ATOM 0 HD11 ILE A 324 0.026 7.531 -5.721 1.00 0.29 H new ATOM 0 HD12 ILE A 324 -0.434 6.467 -4.370 1.00 0.29 H new ATOM 0 HD13 ILE A 324 -1.431 6.517 -5.844 1.00 0.29 H new ATOM 1160 N VAL A 325 -4.346 7.829 -1.025 1.00 0.11 N ATOM 1161 CA VAL A 325 -5.363 7.277 -0.134 1.00 0.13 C ATOM 1162 C VAL A 325 -6.270 8.378 0.432 1.00 0.16 C ATOM 1163 O VAL A 325 -7.389 8.116 0.879 1.00 0.24 O ATOM 1164 CB VAL A 325 -4.727 6.448 1.014 1.00 0.15 C ATOM 1165 CG1 VAL A 325 -5.800 5.883 1.933 1.00 0.19 C ATOM 1166 CG2 VAL A 325 -3.880 5.326 0.438 1.00 0.16 C ATOM 0 H VAL A 325 -3.391 7.745 -0.678 1.00 0.11 H new ATOM 0 HA VAL A 325 -5.980 6.605 -0.731 1.00 0.13 H new ATOM 0 HB VAL A 325 -4.089 7.107 1.603 1.00 0.15 H new ATOM 0 HG11 VAL A 325 -5.330 5.306 2.729 1.00 0.19 H new ATOM 0 HG12 VAL A 325 -6.374 6.701 2.368 1.00 0.19 H new ATOM 0 HG13 VAL A 325 -6.466 5.237 1.361 1.00 0.19 H new ATOM 0 HG21 VAL A 325 -3.438 4.750 1.251 1.00 0.16 H new ATOM 0 HG22 VAL A 325 -4.506 4.673 -0.171 1.00 0.16 H new ATOM 0 HG23 VAL A 325 -3.088 5.749 -0.180 1.00 0.16 H new ATOM 1176 N SER A 326 -5.803 9.616 0.379 1.00 0.19 N ATOM 1177 CA SER A 326 -6.589 10.744 0.867 1.00 0.24 C ATOM 1178 C SER A 326 -7.503 11.291 -0.237 1.00 0.27 C ATOM 1179 O SER A 326 -8.098 12.361 -0.096 1.00 0.44 O ATOM 1180 CB SER A 326 -5.667 11.847 1.383 1.00 0.32 C ATOM 1181 OG SER A 326 -4.838 11.367 2.428 1.00 0.37 O ATOM 0 H SER A 326 -4.888 9.867 0.005 1.00 0.19 H new ATOM 0 HA SER A 326 -7.215 10.394 1.688 1.00 0.24 H new ATOM 0 HB2 SER A 326 -5.049 12.222 0.567 1.00 0.32 H new ATOM 0 HB3 SER A 326 -6.263 12.686 1.743 1.00 0.32 H new ATOM 0 HG SER A 326 -4.130 10.804 2.051 1.00 0.37 H new ATOM 1187 N GLN A 327 -7.610 10.551 -1.335 1.00 0.27 N ATOM 1188 CA GLN A 327 -8.445 10.959 -2.453 1.00 0.32 C ATOM 1189 C GLN A 327 -9.644 10.025 -2.586 1.00 0.34 C ATOM 1190 O GLN A 327 -9.573 8.857 -2.203 1.00 0.53 O ATOM 1191 CB GLN A 327 -7.632 10.953 -3.745 1.00 0.41 C ATOM 1192 CG GLN A 327 -7.653 12.284 -4.483 1.00 0.63 C ATOM 1193 CD GLN A 327 -6.999 13.410 -3.704 1.00 0.75 C ATOM 1194 OE1 GLN A 327 -7.402 14.567 -3.812 1.00 1.16 O ATOM 1195 NE2 GLN A 327 -5.976 13.089 -2.925 1.00 0.94 N ATOM 0 H GLN A 327 -7.127 9.663 -1.472 1.00 0.27 H new ATOM 0 HA GLN A 327 -8.807 11.970 -2.267 1.00 0.32 H new ATOM 0 HB2 GLN A 327 -6.599 10.691 -3.514 1.00 0.41 H new ATOM 0 HB3 GLN A 327 -8.018 10.175 -4.404 1.00 0.41 H new ATOM 0 HG2 GLN A 327 -7.144 12.169 -5.440 1.00 0.63 H new ATOM 0 HG3 GLN A 327 -8.686 12.554 -4.702 1.00 0.63 H new ATOM 0 HE21 GLN A 327 -5.669 12.118 -2.860 1.00 0.94 H new ATOM 0 HE22 GLN A 327 -5.495 13.813 -2.390 1.00 0.94 H new ATOM 1204 N THR A 328 -10.736 10.540 -3.130 1.00 0.42 N ATOM 1205 CA THR A 328 -11.944 9.752 -3.303 1.00 0.49 C ATOM 1206 C THR A 328 -11.997 9.097 -4.684 1.00 0.51 C ATOM 1207 O THR A 328 -12.322 9.746 -5.679 1.00 0.84 O ATOM 1208 CB THR A 328 -13.187 10.633 -3.104 1.00 0.66 C ATOM 1209 OG1 THR A 328 -12.826 12.017 -3.254 1.00 0.88 O ATOM 1210 CG2 THR A 328 -13.805 10.405 -1.731 1.00 0.89 C ATOM 0 H THR A 328 -10.809 11.503 -3.460 1.00 0.42 H new ATOM 0 HA THR A 328 -11.930 8.962 -2.552 1.00 0.49 H new ATOM 0 HB THR A 328 -13.926 10.363 -3.858 1.00 0.66 H new ATOM 0 HG1 THR A 328 -13.620 12.578 -3.129 1.00 0.88 H new ATOM 0 HG21 THR A 328 -14.683 11.041 -1.617 1.00 0.89 H new ATOM 0 HG22 THR A 328 -14.099 9.360 -1.633 1.00 0.89 H new ATOM 0 HG23 THR A 328 -13.076 10.651 -0.959 1.00 0.89 H new ATOM 1218 N GLY A 329 -11.668 7.817 -4.737 1.00 0.45 N ATOM 1219 CA GLY A 329 -11.689 7.093 -5.993 1.00 0.44 C ATOM 1220 C GLY A 329 -11.174 5.680 -5.835 1.00 0.39 C ATOM 1221 O GLY A 329 -10.680 5.322 -4.766 1.00 0.43 O ATOM 0 H GLY A 329 -11.385 7.262 -3.929 1.00 0.45 H new ATOM 0 HA2 GLY A 329 -12.707 7.068 -6.381 1.00 0.44 H new ATOM 0 HA3 GLY A 329 -11.081 7.621 -6.727 1.00 0.44 H new ATOM 1225 N PRO A 330 -11.289 4.843 -6.878 1.00 0.40 N ATOM 1226 CA PRO A 330 -10.814 3.457 -6.827 1.00 0.39 C ATOM 1227 C PRO A 330 -9.288 3.371 -6.809 1.00 0.36 C ATOM 1228 O PRO A 330 -8.611 3.918 -7.684 1.00 0.56 O ATOM 1229 CB PRO A 330 -11.375 2.843 -8.111 1.00 0.47 C ATOM 1230 CG PRO A 330 -11.562 3.990 -9.043 1.00 0.58 C ATOM 1231 CD PRO A 330 -11.891 5.180 -8.183 1.00 0.52 C ATOM 0 HA PRO A 330 -11.137 2.944 -5.921 1.00 0.39 H new ATOM 0 HB2 PRO A 330 -10.689 2.105 -8.527 1.00 0.47 H new ATOM 0 HB3 PRO A 330 -12.318 2.331 -7.923 1.00 0.47 H new ATOM 0 HG2 PRO A 330 -10.659 4.169 -9.626 1.00 0.58 H new ATOM 0 HG3 PRO A 330 -12.365 3.788 -9.752 1.00 0.58 H new ATOM 0 HD2 PRO A 330 -11.471 6.099 -8.593 1.00 0.52 H new ATOM 0 HD3 PRO A 330 -12.968 5.330 -8.101 1.00 0.52 H new ATOM 1239 N ILE A 331 -8.753 2.693 -5.808 1.00 0.27 N ATOM 1240 CA ILE A 331 -7.311 2.546 -5.676 1.00 0.25 C ATOM 1241 C ILE A 331 -6.871 1.143 -6.080 1.00 0.25 C ATOM 1242 O ILE A 331 -7.290 0.152 -5.483 1.00 0.30 O ATOM 1243 CB ILE A 331 -6.846 2.846 -4.233 1.00 0.29 C ATOM 1244 CG1 ILE A 331 -7.245 4.270 -3.833 1.00 0.31 C ATOM 1245 CG2 ILE A 331 -5.338 2.658 -4.109 1.00 0.37 C ATOM 1246 CD1 ILE A 331 -6.958 4.606 -2.383 1.00 0.35 C ATOM 0 H ILE A 331 -9.294 2.235 -5.074 1.00 0.27 H new ATOM 0 HA ILE A 331 -6.846 3.270 -6.345 1.00 0.25 H new ATOM 0 HB ILE A 331 -7.335 2.146 -3.556 1.00 0.29 H new ATOM 0 HG12 ILE A 331 -6.715 4.978 -4.471 1.00 0.31 H new ATOM 0 HG13 ILE A 331 -8.310 4.405 -4.023 1.00 0.31 H new ATOM 0 HG21 ILE A 331 -5.027 2.873 -3.087 1.00 0.37 H new ATOM 0 HG22 ILE A 331 -5.078 1.629 -4.358 1.00 0.37 H new ATOM 0 HG23 ILE A 331 -4.829 3.337 -4.793 1.00 0.37 H new ATOM 0 HD11 ILE A 331 -7.269 5.631 -2.179 1.00 0.35 H new ATOM 0 HD12 ILE A 331 -7.509 3.924 -1.736 1.00 0.35 H new ATOM 0 HD13 ILE A 331 -5.890 4.505 -2.191 1.00 0.35 H new ATOM 1258 N SER A 332 -6.038 1.069 -7.107 1.00 0.28 N ATOM 1259 CA SER A 332 -5.536 -0.202 -7.593 1.00 0.31 C ATOM 1260 C SER A 332 -4.199 -0.539 -6.937 1.00 0.27 C ATOM 1261 O SER A 332 -3.193 0.140 -7.156 1.00 0.31 O ATOM 1262 CB SER A 332 -5.388 -0.144 -9.113 1.00 0.41 C ATOM 1263 OG SER A 332 -5.208 1.196 -9.552 1.00 1.09 O ATOM 0 H SER A 332 -5.695 1.881 -7.621 1.00 0.28 H new ATOM 0 HA SER A 332 -6.245 -0.988 -7.333 1.00 0.31 H new ATOM 0 HB2 SER A 332 -4.537 -0.750 -9.423 1.00 0.41 H new ATOM 0 HB3 SER A 332 -6.273 -0.570 -9.586 1.00 0.41 H new ATOM 0 HG SER A 332 -5.727 1.345 -10.370 1.00 1.09 H new ATOM 1269 N LEU A 333 -4.195 -1.583 -6.123 1.00 0.27 N ATOM 1270 CA LEU A 333 -2.985 -2.004 -5.432 1.00 0.26 C ATOM 1271 C LEU A 333 -2.284 -3.122 -6.184 1.00 0.26 C ATOM 1272 O LEU A 333 -2.849 -4.197 -6.395 1.00 0.30 O ATOM 1273 CB LEU A 333 -3.301 -2.473 -4.008 1.00 0.29 C ATOM 1274 CG LEU A 333 -3.298 -1.380 -2.937 1.00 0.27 C ATOM 1275 CD1 LEU A 333 -3.486 -1.989 -1.559 1.00 0.48 C ATOM 1276 CD2 LEU A 333 -2.004 -0.585 -2.977 1.00 0.39 C ATOM 0 H LEU A 333 -5.016 -2.155 -5.924 1.00 0.27 H new ATOM 0 HA LEU A 333 -2.323 -1.139 -5.386 1.00 0.26 H new ATOM 0 HB2 LEU A 333 -4.280 -2.951 -4.011 1.00 0.29 H new ATOM 0 HB3 LEU A 333 -2.575 -3.235 -3.726 1.00 0.29 H new ATOM 0 HG LEU A 333 -4.127 -0.704 -3.144 1.00 0.27 H new ATOM 0 HD11 LEU A 333 -3.482 -1.199 -0.808 1.00 0.48 H new ATOM 0 HD12 LEU A 333 -4.438 -2.519 -1.522 1.00 0.48 H new ATOM 0 HD13 LEU A 333 -2.674 -2.687 -1.356 1.00 0.48 H new ATOM 0 HD21 LEU A 333 -2.026 0.186 -2.206 1.00 0.39 H new ATOM 0 HD22 LEU A 333 -1.161 -1.253 -2.798 1.00 0.39 H new ATOM 0 HD23 LEU A 333 -1.895 -0.117 -3.955 1.00 0.39 H new ATOM 1288 N THR A 334 -1.054 -2.855 -6.590 1.00 0.24 N ATOM 1289 CA THR A 334 -0.246 -3.834 -7.294 1.00 0.26 C ATOM 1290 C THR A 334 0.768 -4.419 -6.320 1.00 0.26 C ATOM 1291 O THR A 334 1.845 -3.852 -6.105 1.00 0.28 O ATOM 1292 CB THR A 334 0.485 -3.208 -8.499 1.00 0.31 C ATOM 1293 OG1 THR A 334 -0.277 -2.105 -9.012 1.00 0.50 O ATOM 1294 CG2 THR A 334 0.704 -4.233 -9.601 1.00 0.42 C ATOM 0 H THR A 334 -0.590 -1.959 -6.442 1.00 0.24 H new ATOM 0 HA THR A 334 -0.901 -4.616 -7.679 1.00 0.26 H new ATOM 0 HB THR A 334 1.459 -2.856 -8.159 1.00 0.31 H new ATOM 0 HG1 THR A 334 -0.186 -1.337 -8.411 1.00 0.50 H new ATOM 0 HG21 THR A 334 1.221 -3.763 -10.437 1.00 0.42 H new ATOM 0 HG22 THR A 334 1.307 -5.056 -9.218 1.00 0.42 H new ATOM 0 HG23 THR A 334 -0.259 -4.615 -9.939 1.00 0.42 H new ATOM 1302 N VAL A 335 0.401 -5.538 -5.713 1.00 0.26 N ATOM 1303 CA VAL A 335 1.248 -6.184 -4.723 1.00 0.28 C ATOM 1304 C VAL A 335 2.066 -7.324 -5.318 1.00 0.28 C ATOM 1305 O VAL A 335 1.672 -7.943 -6.313 1.00 0.32 O ATOM 1306 CB VAL A 335 0.409 -6.736 -3.545 1.00 0.30 C ATOM 1307 CG1 VAL A 335 -0.406 -5.625 -2.903 1.00 0.33 C ATOM 1308 CG2 VAL A 335 -0.501 -7.866 -4.007 1.00 0.31 C ATOM 0 H VAL A 335 -0.481 -6.018 -5.890 1.00 0.26 H new ATOM 0 HA VAL A 335 1.932 -5.416 -4.362 1.00 0.28 H new ATOM 0 HB VAL A 335 1.096 -7.137 -2.800 1.00 0.30 H new ATOM 0 HG11 VAL A 335 -0.989 -6.032 -2.077 1.00 0.33 H new ATOM 0 HG12 VAL A 335 0.265 -4.852 -2.527 1.00 0.33 H new ATOM 0 HG13 VAL A 335 -1.079 -5.193 -3.644 1.00 0.33 H new ATOM 0 HG21 VAL A 335 -1.080 -8.236 -3.161 1.00 0.31 H new ATOM 0 HG22 VAL A 335 -1.179 -7.496 -4.776 1.00 0.31 H new ATOM 0 HG23 VAL A 335 0.103 -8.676 -4.416 1.00 0.31 H new ATOM 1318 N ALA A 336 3.208 -7.585 -4.702 1.00 0.28 N ATOM 1319 CA ALA A 336 4.083 -8.660 -5.122 1.00 0.31 C ATOM 1320 C ALA A 336 4.094 -9.739 -4.051 1.00 0.33 C ATOM 1321 O ALA A 336 4.819 -9.637 -3.057 1.00 0.38 O ATOM 1322 CB ALA A 336 5.490 -8.142 -5.380 1.00 0.34 C ATOM 0 H ALA A 336 3.551 -7.057 -3.899 1.00 0.28 H new ATOM 0 HA ALA A 336 3.712 -9.082 -6.056 1.00 0.31 H new ATOM 0 HB1 ALA A 336 6.129 -8.967 -5.694 1.00 0.34 H new ATOM 0 HB2 ALA A 336 5.461 -7.386 -6.165 1.00 0.34 H new ATOM 0 HB3 ALA A 336 5.889 -7.702 -4.466 1.00 0.34 H new ATOM 1328 N LYS A 337 3.265 -10.749 -4.242 1.00 0.36 N ATOM 1329 CA LYS A 337 3.165 -11.838 -3.290 1.00 0.40 C ATOM 1330 C LYS A 337 4.187 -12.913 -3.612 1.00 0.47 C ATOM 1331 O LYS A 337 4.186 -13.406 -4.760 1.00 0.60 O ATOM 1332 CB LYS A 337 1.756 -12.430 -3.297 1.00 0.41 C ATOM 1333 CG LYS A 337 0.680 -11.430 -2.907 1.00 0.37 C ATOM 1334 CD LYS A 337 -0.690 -12.084 -2.828 1.00 0.41 C ATOM 1335 CE LYS A 337 -0.806 -13.006 -1.623 1.00 0.39 C ATOM 1336 NZ LYS A 337 -0.947 -12.252 -0.349 1.00 0.38 N ATOM 1337 OXT LYS A 337 4.991 -13.251 -2.721 1.00 0.70 O ATOM 0 H LYS A 337 2.650 -10.837 -5.051 1.00 0.36 H new ATOM 0 HA LYS A 337 3.370 -11.445 -2.294 1.00 0.40 H new ATOM 0 HB2 LYS A 337 1.538 -12.818 -4.292 1.00 0.41 H new ATOM 0 HB3 LYS A 337 1.722 -13.276 -2.610 1.00 0.41 H new ATOM 0 HG2 LYS A 337 0.928 -10.986 -1.943 1.00 0.37 H new ATOM 0 HG3 LYS A 337 0.655 -10.619 -3.635 1.00 0.37 H new ATOM 0 HD2 LYS A 337 -1.458 -11.313 -2.771 1.00 0.41 H new ATOM 0 HD3 LYS A 337 -0.875 -12.652 -3.740 1.00 0.41 H new ATOM 0 HE2 LYS A 337 -1.667 -13.662 -1.752 1.00 0.39 H new ATOM 0 HE3 LYS A 337 0.076 -13.644 -1.570 1.00 0.39 H new ATOM 0 HZ1 LYS A 337 -0.607 -12.837 0.440 1.00 0.38 H new ATOM 0 HZ2 LYS A 337 -0.386 -11.378 -0.399 1.00 0.38 H new ATOM 0 HZ3 LYS A 337 -1.947 -12.013 -0.196 1.00 0.38 H new ATOM 1369 N TRP B 2 0.739 5.014 7.957 1.00 0.14 N ATOM 1370 CA TRP B 2 -0.579 4.400 8.132 1.00 0.13 C ATOM 1371 C TRP B 2 -1.589 5.058 7.205 1.00 0.14 C ATOM 1372 O TRP B 2 -1.607 6.284 7.079 1.00 0.23 O ATOM 1373 CB TRP B 2 -1.062 4.560 9.578 1.00 0.19 C ATOM 1374 CG TRP B 2 -0.536 3.525 10.529 1.00 0.21 C ATOM 1375 CD1 TRP B 2 0.703 3.488 11.101 1.00 0.30 C ATOM 1376 CD2 TRP B 2 -1.245 2.387 11.037 1.00 0.24 C ATOM 1377 NE1 TRP B 2 0.809 2.400 11.930 1.00 0.32 N ATOM 1378 CE2 TRP B 2 -0.373 1.708 11.908 1.00 0.28 C ATOM 1379 CE3 TRP B 2 -2.531 1.874 10.842 1.00 0.32 C ATOM 1380 CZ2 TRP B 2 -0.744 0.546 12.579 1.00 0.33 C ATOM 1381 CZ3 TRP B 2 -2.897 0.721 11.510 1.00 0.40 C ATOM 1382 CH2 TRP B 2 -2.006 0.070 12.370 1.00 0.39 C ATOM 0 HA TRP B 2 -0.491 3.340 7.895 1.00 0.13 H new ATOM 0 HB2 TRP B 2 -0.771 5.547 9.938 1.00 0.19 H new ATOM 0 HB3 TRP B 2 -2.151 4.525 9.590 1.00 0.19 H new ATOM 0 HD1 TRP B 2 1.486 4.211 10.926 1.00 0.30 H new ATOM 0 HE1 TRP B 2 1.634 2.147 12.474 1.00 0.32 H new ATOM 0 HE3 TRP B 2 -3.226 2.370 10.181 1.00 0.32 H new ATOM 0 HZ2 TRP B 2 -0.058 0.039 13.241 1.00 0.33 H new ATOM 0 HZ3 TRP B 2 -3.888 0.316 11.366 1.00 0.40 H new ATOM 0 HH2 TRP B 2 -2.323 -0.828 12.879 1.00 0.39 H new ATOM 1393 N VAL B 3 -2.410 4.255 6.543 1.00 0.09 N ATOM 1394 CA VAL B 3 -3.437 4.788 5.656 1.00 0.11 C ATOM 1395 C VAL B 3 -4.657 3.882 5.652 1.00 0.14 C ATOM 1396 O VAL B 3 -5.703 4.292 5.108 1.00 0.24 O ATOM 1397 CB VAL B 3 -2.950 4.998 4.204 1.00 0.14 C ATOM 1398 CG1 VAL B 3 -2.596 6.453 3.973 1.00 0.21 C ATOM 1399 CG2 VAL B 3 -1.773 4.104 3.844 1.00 0.11 C ATOM 1400 OXT VAL B 3 -4.567 2.770 6.216 1.00 0.27 O ATOM 0 H VAL B 3 -2.386 3.237 6.602 1.00 0.09 H new ATOM 0 HA VAL B 3 -3.695 5.770 6.053 1.00 0.11 H new ATOM 0 HB VAL B 3 -3.774 4.716 3.549 1.00 0.14 H new ATOM 0 HG11 VAL B 3 -2.255 6.586 2.946 1.00 0.21 H new ATOM 0 HG12 VAL B 3 -3.475 7.073 4.146 1.00 0.21 H new ATOM 0 HG13 VAL B 3 -1.803 6.748 4.660 1.00 0.21 H new ATOM 0 HG21 VAL B 3 -1.473 4.294 2.813 1.00 0.11 H new ATOM 0 HG22 VAL B 3 -0.937 4.317 4.510 1.00 0.11 H new ATOM 0 HG23 VAL B 3 -2.064 3.059 3.950 1.00 0.11 H new