USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 703 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 265 SER OG : rot -102:sc= 0.888 USER MOD Set 1.2: A 282 SER OG : rot 65:sc= 0.651 USER MOD Set 2.1: A 270 SER OG : rot 180:sc= 0.159 USER MOD Set 2.2: A 314 ASN : amide:sc= 0.923 K(o=1.1,f=-2.9!) USER MOD Single : A 248 ASN : amide:sc=-0.00754 K(o=-0.0075,f=-3.9!) USER MOD Single : A 251 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 253 THR OG1 : rot 180:sc= 0 USER MOD Single : A 255 ASN : amide:sc= 1.32 K(o=1.3,f=-8.8!) USER MOD Single : A 256 MET CE :methyl -170:sc= 0 (180deg=-0.123) USER MOD Single : A 259 HIS : no HE2:sc= 1.11 K(o=1.1,f=-5!) USER MOD Single : A 260 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 269 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.5) USER MOD Single : A 271 ASN : amide:sc= -0.739 X(o=-0.74,f=-0.86) USER MOD Single : A 279 TYR OH : rot -113:sc= 0.152 USER MOD Single : A 284 MET CE :methyl -125:sc= -0.112 (180deg=-0.824) USER MOD Single : A 285 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00313) USER MOD Single : A 300 MET CE :methyl -115:sc= -0.195 (180deg=-0.926) USER MOD Single : A 303 GLN :FLIP amide:sc= -0.317 F(o=-1.1,f=-0.32) USER MOD Single : A 305 ASN : amide:sc= 0.619 K(o=0.62,f=-9.1!) USER MOD Single : A 308 ASN : amide:sc= -1.35 K(o=-1.4,f=-3.3!) USER MOD Single : A 311 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 312 MET CE :methyl 168:sc= -0.949 (180deg=-1.1) USER MOD Single : A 313 SER OG : rot -109:sc= 1.1 USER MOD Single : A 326 SER OG : rot 81:sc= 1.3 USER MOD Single : A 327 GLN :FLIP amide:sc= -0.0243 F(o=-1.2,f=-0.024) USER MOD Single : A 328 THR OG1 : rot 180:sc= 0.0452 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 THR OG1 : rot 78:sc= -0.0932 USER MOD Single : A 337 LYS NZ :NH3+ -161:sc= 1.4! (180deg=0.816!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 248 3.735 -13.463 -7.608 1.00 0.52 N ATOM 2 CA ASN A 248 2.451 -13.104 -8.251 1.00 0.49 C ATOM 3 C ASN A 248 2.141 -11.633 -8.046 1.00 0.44 C ATOM 4 O ASN A 248 2.201 -11.130 -6.927 1.00 0.47 O ATOM 5 CB ASN A 248 1.309 -13.944 -7.673 1.00 0.57 C ATOM 6 CG ASN A 248 0.121 -14.020 -8.613 1.00 0.70 C ATOM 7 OD1 ASN A 248 -0.010 -13.216 -9.535 1.00 0.99 O ATOM 8 ND2 ASN A 248 -0.764 -14.976 -8.380 1.00 1.26 N ATOM 0 HA ASN A 248 2.544 -13.305 -9.318 1.00 0.49 H new ATOM 0 HB2 ASN A 248 1.670 -14.951 -7.465 1.00 0.57 H new ATOM 0 HB3 ASN A 248 0.991 -13.516 -6.722 1.00 0.57 H new ATOM 0 HD21 ASN A 248 -1.588 -15.064 -8.975 1.00 1.26 H new ATOM 0 HD22 ASN A 248 -0.622 -15.625 -7.606 1.00 1.26 H new ATOM 17 N ILE A 249 1.809 -10.944 -9.127 1.00 0.45 N ATOM 18 CA ILE A 249 1.475 -9.533 -9.056 1.00 0.43 C ATOM 19 C ILE A 249 -0.026 -9.354 -9.232 1.00 0.42 C ATOM 20 O ILE A 249 -0.565 -9.571 -10.319 1.00 0.50 O ATOM 21 CB ILE A 249 2.223 -8.712 -10.127 1.00 0.47 C ATOM 22 CG1 ILE A 249 3.735 -8.921 -10.003 1.00 0.54 C ATOM 23 CG2 ILE A 249 1.881 -7.235 -9.997 1.00 0.50 C ATOM 24 CD1 ILE A 249 4.539 -8.172 -11.045 1.00 0.65 C ATOM 0 H ILE A 249 1.764 -11.342 -10.065 1.00 0.45 H new ATOM 0 HA ILE A 249 1.784 -9.166 -8.077 1.00 0.43 H new ATOM 0 HB ILE A 249 1.905 -9.057 -11.111 1.00 0.47 H new ATOM 0 HG12 ILE A 249 4.057 -8.604 -9.011 1.00 0.54 H new ATOM 0 HG13 ILE A 249 3.954 -9.986 -10.084 1.00 0.54 H new ATOM 0 HG21 ILE A 249 2.416 -6.669 -10.759 1.00 0.50 H new ATOM 0 HG22 ILE A 249 0.808 -7.097 -10.129 1.00 0.50 H new ATOM 0 HG23 ILE A 249 2.173 -6.879 -9.009 1.00 0.50 H new ATOM 0 HD11 ILE A 249 5.601 -8.368 -10.895 1.00 0.65 H new ATOM 0 HD12 ILE A 249 4.246 -8.506 -12.040 1.00 0.65 H new ATOM 0 HD13 ILE A 249 4.350 -7.103 -10.951 1.00 0.65 H new ATOM 36 N ILE A 250 -0.702 -8.979 -8.160 1.00 0.39 N ATOM 37 CA ILE A 250 -2.141 -8.789 -8.202 1.00 0.41 C ATOM 38 C ILE A 250 -2.499 -7.325 -7.993 1.00 0.37 C ATOM 39 O ILE A 250 -2.040 -6.693 -7.042 1.00 0.36 O ATOM 40 CB ILE A 250 -2.857 -9.660 -7.142 1.00 0.44 C ATOM 41 CG1 ILE A 250 -2.489 -11.134 -7.338 1.00 0.48 C ATOM 42 CG2 ILE A 250 -4.367 -9.472 -7.222 1.00 0.55 C ATOM 43 CD1 ILE A 250 -3.093 -12.057 -6.303 1.00 0.54 C ATOM 0 H ILE A 250 -0.277 -8.800 -7.250 1.00 0.39 H new ATOM 0 HA ILE A 250 -2.481 -9.101 -9.190 1.00 0.41 H new ATOM 0 HB ILE A 250 -2.528 -9.344 -6.152 1.00 0.44 H new ATOM 0 HG12 ILE A 250 -2.815 -11.451 -8.329 1.00 0.48 H new ATOM 0 HG13 ILE A 250 -1.404 -11.235 -7.312 1.00 0.48 H new ATOM 0 HG21 ILE A 250 -4.851 -10.093 -6.469 1.00 0.55 H new ATOM 0 HG22 ILE A 250 -4.613 -8.425 -7.043 1.00 0.55 H new ATOM 0 HG23 ILE A 250 -4.718 -9.763 -8.212 1.00 0.55 H new ATOM 0 HD11 ILE A 250 -2.787 -13.083 -6.508 1.00 0.54 H new ATOM 0 HD12 ILE A 250 -2.747 -11.767 -5.311 1.00 0.54 H new ATOM 0 HD13 ILE A 250 -4.180 -11.987 -6.343 1.00 0.54 H new ATOM 55 N THR A 251 -3.297 -6.788 -8.904 1.00 0.40 N ATOM 56 CA THR A 251 -3.732 -5.406 -8.832 1.00 0.39 C ATOM 57 C THR A 251 -5.180 -5.336 -8.361 1.00 0.40 C ATOM 58 O THR A 251 -6.107 -5.614 -9.123 1.00 0.48 O ATOM 59 CB THR A 251 -3.600 -4.727 -10.205 1.00 0.46 C ATOM 60 OG1 THR A 251 -2.441 -5.240 -10.878 1.00 0.59 O ATOM 61 CG2 THR A 251 -3.480 -3.218 -10.060 1.00 0.47 C ATOM 0 H THR A 251 -3.659 -7.298 -9.710 1.00 0.40 H new ATOM 0 HA THR A 251 -3.096 -4.882 -8.118 1.00 0.39 H new ATOM 0 HB THR A 251 -4.496 -4.943 -10.786 1.00 0.46 H new ATOM 0 HG1 THR A 251 -2.355 -4.810 -11.755 1.00 0.59 H new ATOM 0 HG21 THR A 251 -3.388 -2.764 -11.047 1.00 0.47 H new ATOM 0 HG22 THR A 251 -4.368 -2.828 -9.563 1.00 0.47 H new ATOM 0 HG23 THR A 251 -2.598 -2.979 -9.467 1.00 0.47 H new ATOM 69 N VAL A 252 -5.374 -4.978 -7.102 1.00 0.36 N ATOM 70 CA VAL A 252 -6.713 -4.903 -6.540 1.00 0.38 C ATOM 71 C VAL A 252 -7.234 -3.470 -6.541 1.00 0.35 C ATOM 72 O VAL A 252 -6.474 -2.517 -6.361 1.00 0.39 O ATOM 73 CB VAL A 252 -6.760 -5.469 -5.099 1.00 0.41 C ATOM 74 CG1 VAL A 252 -6.221 -6.892 -5.070 1.00 0.50 C ATOM 75 CG2 VAL A 252 -5.985 -4.581 -4.133 1.00 0.40 C ATOM 0 H VAL A 252 -4.626 -4.736 -6.453 1.00 0.36 H new ATOM 0 HA VAL A 252 -7.354 -5.514 -7.175 1.00 0.38 H new ATOM 0 HB VAL A 252 -7.801 -5.484 -4.776 1.00 0.41 H new ATOM 0 HG11 VAL A 252 -6.261 -7.275 -4.050 1.00 0.50 H new ATOM 0 HG12 VAL A 252 -6.827 -7.524 -5.719 1.00 0.50 H new ATOM 0 HG13 VAL A 252 -5.189 -6.897 -5.420 1.00 0.50 H new ATOM 0 HG21 VAL A 252 -6.036 -5.004 -3.130 1.00 0.40 H new ATOM 0 HG22 VAL A 252 -4.944 -4.521 -4.449 1.00 0.40 H new ATOM 0 HG23 VAL A 252 -6.420 -3.582 -4.128 1.00 0.40 H new ATOM 85 N THR A 253 -8.528 -3.326 -6.777 1.00 0.39 N ATOM 86 CA THR A 253 -9.162 -2.021 -6.777 1.00 0.40 C ATOM 87 C THR A 253 -10.152 -1.948 -5.621 1.00 0.39 C ATOM 88 O THR A 253 -11.151 -2.671 -5.589 1.00 0.54 O ATOM 89 CB THR A 253 -9.857 -1.715 -8.130 1.00 0.50 C ATOM 90 OG1 THR A 253 -10.732 -0.585 -8.008 1.00 0.76 O ATOM 91 CG2 THR A 253 -10.643 -2.916 -8.640 1.00 0.79 C ATOM 0 H THR A 253 -9.161 -4.102 -6.972 1.00 0.39 H new ATOM 0 HA THR A 253 -8.393 -1.260 -6.645 1.00 0.40 H new ATOM 0 HB THR A 253 -9.072 -1.486 -8.851 1.00 0.50 H new ATOM 0 HG1 THR A 253 -11.159 -0.407 -8.872 1.00 0.76 H new ATOM 0 HG21 THR A 253 -11.116 -2.665 -9.589 1.00 0.79 H new ATOM 0 HG22 THR A 253 -9.967 -3.759 -8.783 1.00 0.79 H new ATOM 0 HG23 THR A 253 -11.409 -3.185 -7.913 1.00 0.79 H new ATOM 99 N LEU A 254 -9.856 -1.093 -4.659 1.00 0.33 N ATOM 100 CA LEU A 254 -10.696 -0.957 -3.480 1.00 0.35 C ATOM 101 C LEU A 254 -11.691 0.189 -3.616 1.00 0.35 C ATOM 102 O LEU A 254 -11.453 1.164 -4.333 1.00 0.37 O ATOM 103 CB LEU A 254 -9.823 -0.749 -2.240 1.00 0.36 C ATOM 104 CG LEU A 254 -8.637 -1.712 -2.113 1.00 0.39 C ATOM 105 CD1 LEU A 254 -7.781 -1.339 -0.918 1.00 0.46 C ATOM 106 CD2 LEU A 254 -9.115 -3.153 -1.995 1.00 0.45 C ATOM 0 H LEU A 254 -9.040 -0.481 -4.670 1.00 0.33 H new ATOM 0 HA LEU A 254 -11.270 -1.878 -3.376 1.00 0.35 H new ATOM 0 HB2 LEU A 254 -9.443 0.272 -2.249 1.00 0.36 H new ATOM 0 HB3 LEU A 254 -10.449 -0.848 -1.353 1.00 0.36 H new ATOM 0 HG LEU A 254 -8.033 -1.629 -3.017 1.00 0.39 H new ATOM 0 HD11 LEU A 254 -6.943 -2.031 -0.841 1.00 0.46 H new ATOM 0 HD12 LEU A 254 -7.403 -0.324 -1.044 1.00 0.46 H new ATOM 0 HD13 LEU A 254 -8.381 -1.393 -0.010 1.00 0.46 H new ATOM 0 HD21 LEU A 254 -8.254 -3.816 -1.906 1.00 0.45 H new ATOM 0 HD22 LEU A 254 -9.745 -3.256 -1.112 1.00 0.45 H new ATOM 0 HD23 LEU A 254 -9.688 -3.420 -2.883 1.00 0.45 H new ATOM 118 N ASN A 255 -12.811 0.055 -2.917 1.00 0.40 N ATOM 119 CA ASN A 255 -13.861 1.065 -2.931 1.00 0.44 C ATOM 120 C ASN A 255 -13.652 2.051 -1.787 1.00 0.40 C ATOM 121 O ASN A 255 -13.610 1.654 -0.621 1.00 0.39 O ATOM 122 CB ASN A 255 -15.235 0.397 -2.806 1.00 0.50 C ATOM 123 CG ASN A 255 -16.368 1.399 -2.693 1.00 0.55 C ATOM 124 OD1 ASN A 255 -16.690 1.867 -1.599 1.00 0.52 O ATOM 125 ND2 ASN A 255 -16.987 1.726 -3.815 1.00 0.65 N ATOM 0 H ASN A 255 -13.016 -0.752 -2.328 1.00 0.40 H new ATOM 0 HA ASN A 255 -13.818 1.607 -3.876 1.00 0.44 H new ATOM 0 HB2 ASN A 255 -15.405 -0.240 -3.674 1.00 0.50 H new ATOM 0 HB3 ASN A 255 -15.240 -0.251 -1.930 1.00 0.50 H new ATOM 0 HD21 ASN A 255 -17.762 2.389 -3.795 1.00 0.65 H new ATOM 0 HD22 ASN A 255 -16.689 1.316 -4.700 1.00 0.65 H new ATOM 132 N MET A 256 -13.524 3.329 -2.118 1.00 0.41 N ATOM 133 CA MET A 256 -13.305 4.361 -1.108 1.00 0.41 C ATOM 134 C MET A 256 -14.582 5.144 -0.813 1.00 0.44 C ATOM 135 O MET A 256 -14.534 6.291 -0.376 1.00 0.49 O ATOM 136 CB MET A 256 -12.197 5.316 -1.557 1.00 0.43 C ATOM 137 CG MET A 256 -10.801 4.731 -1.427 1.00 0.45 C ATOM 138 SD MET A 256 -10.398 4.265 0.269 1.00 0.56 S ATOM 139 CE MET A 256 -10.210 5.877 1.029 1.00 0.63 C ATOM 0 H MET A 256 -13.568 3.678 -3.076 1.00 0.41 H new ATOM 0 HA MET A 256 -13.000 3.861 -0.188 1.00 0.41 H new ATOM 0 HB2 MET A 256 -12.369 5.596 -2.596 1.00 0.43 H new ATOM 0 HB3 MET A 256 -12.255 6.230 -0.966 1.00 0.43 H new ATOM 0 HG2 MET A 256 -10.717 3.855 -2.070 1.00 0.45 H new ATOM 0 HG3 MET A 256 -10.072 5.459 -1.783 1.00 0.45 H new ATOM 0 HE1 MET A 256 -9.789 5.762 2.028 1.00 0.63 H new ATOM 0 HE2 MET A 256 -9.543 6.490 0.422 1.00 0.63 H new ATOM 0 HE3 MET A 256 -11.184 6.362 1.100 1.00 0.63 H new ATOM 149 N GLU A 257 -15.728 4.522 -1.054 1.00 0.46 N ATOM 150 CA GLU A 257 -17.007 5.164 -0.790 1.00 0.51 C ATOM 151 C GLU A 257 -17.574 4.658 0.529 1.00 0.49 C ATOM 152 O GLU A 257 -18.031 5.437 1.362 1.00 0.56 O ATOM 153 CB GLU A 257 -17.992 4.904 -1.932 1.00 0.56 C ATOM 154 CG GLU A 257 -17.522 5.444 -3.272 1.00 0.67 C ATOM 155 CD GLU A 257 -17.446 6.959 -3.308 1.00 0.86 C ATOM 156 OE1 GLU A 257 -17.860 7.612 -2.325 1.00 1.23 O ATOM 157 OE2 GLU A 257 -16.983 7.508 -4.327 1.00 1.27 O ATOM 0 H GLU A 257 -15.798 3.577 -1.431 1.00 0.46 H new ATOM 0 HA GLU A 257 -16.850 6.240 -0.720 1.00 0.51 H new ATOM 0 HB2 GLU A 257 -18.159 3.830 -2.020 1.00 0.56 H new ATOM 0 HB3 GLU A 257 -18.952 5.356 -1.683 1.00 0.56 H new ATOM 0 HG2 GLU A 257 -16.539 5.031 -3.499 1.00 0.67 H new ATOM 0 HG3 GLU A 257 -18.200 5.101 -4.054 1.00 0.67 H new ATOM 164 N ARG A 258 -17.518 3.343 0.718 1.00 0.45 N ATOM 165 CA ARG A 258 -18.011 2.722 1.945 1.00 0.45 C ATOM 166 C ARG A 258 -16.874 2.572 2.953 1.00 0.43 C ATOM 167 O ARG A 258 -17.001 1.882 3.965 1.00 0.63 O ATOM 168 CB ARG A 258 -18.624 1.349 1.647 1.00 0.48 C ATOM 169 CG ARG A 258 -19.549 0.843 2.747 1.00 0.56 C ATOM 170 CD ARG A 258 -19.804 -0.649 2.634 1.00 0.64 C ATOM 171 NE ARG A 258 -20.754 -1.108 3.647 1.00 0.75 N ATOM 172 CZ ARG A 258 -20.524 -2.102 4.507 1.00 0.86 C ATOM 173 NH1 ARG A 258 -19.394 -2.797 4.451 1.00 1.01 N ATOM 174 NH2 ARG A 258 -21.437 -2.416 5.414 1.00 1.06 N ATOM 0 H ARG A 258 -17.136 2.686 0.038 1.00 0.45 H new ATOM 0 HA ARG A 258 -18.783 3.365 2.368 1.00 0.45 H new ATOM 0 HB2 ARG A 258 -19.181 1.404 0.712 1.00 0.48 H new ATOM 0 HB3 ARG A 258 -17.822 0.627 1.498 1.00 0.48 H new ATOM 0 HG2 ARG A 258 -19.110 1.063 3.720 1.00 0.56 H new ATOM 0 HG3 ARG A 258 -20.498 1.378 2.697 1.00 0.56 H new ATOM 0 HD2 ARG A 258 -20.190 -0.879 1.641 1.00 0.64 H new ATOM 0 HD3 ARG A 258 -18.864 -1.189 2.744 1.00 0.64 H new ATOM 0 HE ARG A 258 -21.656 -0.635 3.700 1.00 0.75 H new ATOM 0 HH11 ARG A 258 -18.692 -2.573 3.746 1.00 1.01 H new ATOM 0 HH12 ARG A 258 -19.228 -3.555 5.113 1.00 1.01 H new ATOM 0 HH21 ARG A 258 -22.315 -1.898 5.455 1.00 1.06 H new ATOM 0 HH22 ARG A 258 -21.262 -3.176 6.072 1.00 1.06 H new ATOM 188 N HIS A 259 -15.753 3.215 2.662 1.00 0.37 N ATOM 189 CA HIS A 259 -14.587 3.163 3.533 1.00 0.35 C ATOM 190 C HIS A 259 -14.012 4.562 3.681 1.00 0.40 C ATOM 191 O HIS A 259 -14.223 5.413 2.820 1.00 0.63 O ATOM 192 CB HIS A 259 -13.517 2.214 2.970 1.00 0.38 C ATOM 193 CG HIS A 259 -13.988 0.800 2.800 1.00 0.46 C ATOM 194 ND1 HIS A 259 -14.055 0.180 1.574 1.00 0.61 N ATOM 195 CD2 HIS A 259 -14.411 -0.117 3.704 1.00 0.58 C ATOM 196 CE1 HIS A 259 -14.505 -1.049 1.724 1.00 0.76 C ATOM 197 NE2 HIS A 259 -14.730 -1.258 3.008 1.00 0.75 N ATOM 0 H HIS A 259 -15.625 3.782 1.824 1.00 0.37 H new ATOM 0 HA HIS A 259 -14.895 2.782 4.507 1.00 0.35 H new ATOM 0 HB2 HIS A 259 -13.181 2.593 2.005 1.00 0.38 H new ATOM 0 HB3 HIS A 259 -12.653 2.221 3.634 1.00 0.38 H new ATOM 0 HD1 HIS A 259 -13.796 0.607 0.685 1.00 0.61 H new ATOM 0 HD2 HIS A 259 -14.484 0.023 4.772 1.00 0.58 H new ATOM 0 HE1 HIS A 259 -14.663 -1.765 0.931 1.00 0.76 H new ATOM 206 N HIS A 260 -13.301 4.802 4.770 1.00 0.36 N ATOM 207 CA HIS A 260 -12.709 6.112 5.017 1.00 0.42 C ATOM 208 C HIS A 260 -11.190 6.044 4.935 1.00 0.35 C ATOM 209 O HIS A 260 -10.518 7.074 4.885 1.00 0.42 O ATOM 210 CB HIS A 260 -13.128 6.647 6.391 1.00 0.56 C ATOM 211 CG HIS A 260 -14.608 6.819 6.554 1.00 0.71 C ATOM 212 ND1 HIS A 260 -15.331 7.806 5.919 1.00 0.97 N ATOM 213 CD2 HIS A 260 -15.503 6.114 7.288 1.00 0.88 C ATOM 214 CE1 HIS A 260 -16.604 7.699 6.252 1.00 1.09 C ATOM 215 NE2 HIS A 260 -16.733 6.680 7.080 1.00 1.01 N ATOM 0 H HIS A 260 -13.118 4.111 5.497 1.00 0.36 H new ATOM 0 HA HIS A 260 -13.073 6.792 4.247 1.00 0.42 H new ATOM 0 HB2 HIS A 260 -12.765 5.966 7.161 1.00 0.56 H new ATOM 0 HB3 HIS A 260 -12.640 7.607 6.560 1.00 0.56 H new ATOM 0 HD2 HIS A 260 -15.287 5.265 7.919 1.00 0.88 H new ATOM 0 HE1 HIS A 260 -17.404 8.337 5.906 1.00 1.09 H new ATOM 0 HE2 HIS A 260 -17.608 6.364 7.498 1.00 1.01 H new ATOM 224 N PHE A 261 -10.651 4.831 4.909 1.00 0.30 N ATOM 225 CA PHE A 261 -9.207 4.640 4.848 1.00 0.25 C ATOM 226 C PHE A 261 -8.859 3.268 4.280 1.00 0.21 C ATOM 227 O PHE A 261 -9.741 2.428 4.075 1.00 0.22 O ATOM 228 CB PHE A 261 -8.590 4.810 6.244 1.00 0.28 C ATOM 229 CG PHE A 261 -9.255 3.994 7.324 1.00 0.32 C ATOM 230 CD1 PHE A 261 -8.896 2.672 7.536 1.00 0.36 C ATOM 231 CD2 PHE A 261 -10.230 4.556 8.132 1.00 0.52 C ATOM 232 CE1 PHE A 261 -9.497 1.927 8.532 1.00 0.44 C ATOM 233 CE2 PHE A 261 -10.836 3.814 9.130 1.00 0.62 C ATOM 234 CZ PHE A 261 -10.468 2.498 9.329 1.00 0.52 C ATOM 0 H PHE A 261 -11.191 3.966 4.929 1.00 0.30 H new ATOM 0 HA PHE A 261 -8.792 5.397 4.182 1.00 0.25 H new ATOM 0 HB2 PHE A 261 -7.536 4.538 6.197 1.00 0.28 H new ATOM 0 HB3 PHE A 261 -8.635 5.863 6.522 1.00 0.28 H new ATOM 0 HD1 PHE A 261 -8.137 2.219 6.915 1.00 0.36 H new ATOM 0 HD2 PHE A 261 -10.520 5.585 7.981 1.00 0.52 H new ATOM 0 HE1 PHE A 261 -9.207 0.898 8.687 1.00 0.44 H new ATOM 0 HE2 PHE A 261 -11.596 4.263 9.752 1.00 0.62 H new ATOM 0 HZ PHE A 261 -10.940 1.916 10.107 1.00 0.52 H new ATOM 244 N LEU A 262 -7.572 3.046 4.048 1.00 0.17 N ATOM 245 CA LEU A 262 -7.093 1.779 3.514 1.00 0.14 C ATOM 246 C LEU A 262 -7.105 0.730 4.614 1.00 0.12 C ATOM 247 O LEU A 262 -7.656 -0.362 4.448 1.00 0.14 O ATOM 248 CB LEU A 262 -5.678 1.937 2.934 1.00 0.14 C ATOM 249 CG LEU A 262 -5.602 2.386 1.469 1.00 0.19 C ATOM 250 CD1 LEU A 262 -4.227 2.081 0.893 1.00 0.23 C ATOM 251 CD2 LEU A 262 -6.684 1.716 0.636 1.00 0.34 C ATOM 0 H LEU A 262 -6.837 3.732 4.223 1.00 0.17 H new ATOM 0 HA LEU A 262 -7.753 1.459 2.708 1.00 0.14 H new ATOM 0 HB2 LEU A 262 -5.135 2.659 3.544 1.00 0.14 H new ATOM 0 HB3 LEU A 262 -5.158 0.984 3.029 1.00 0.14 H new ATOM 0 HG LEU A 262 -5.767 3.463 1.436 1.00 0.19 H new ATOM 0 HD11 LEU A 262 -4.188 2.405 -0.147 1.00 0.23 H new ATOM 0 HD12 LEU A 262 -3.466 2.611 1.467 1.00 0.23 H new ATOM 0 HD13 LEU A 262 -4.040 1.008 0.946 1.00 0.23 H new ATOM 0 HD21 LEU A 262 -6.607 2.052 -0.398 1.00 0.34 H new ATOM 0 HD22 LEU A 262 -6.557 0.634 0.677 1.00 0.34 H new ATOM 0 HD23 LEU A 262 -7.664 1.981 1.032 1.00 0.34 H new ATOM 263 N GLY A 263 -6.506 1.079 5.741 1.00 0.11 N ATOM 264 CA GLY A 263 -6.465 0.180 6.872 1.00 0.12 C ATOM 265 C GLY A 263 -5.266 -0.739 6.847 1.00 0.11 C ATOM 266 O GLY A 263 -5.386 -1.925 7.146 1.00 0.14 O ATOM 0 H GLY A 263 -6.044 1.976 5.892 1.00 0.11 H new ATOM 0 HA2 GLY A 263 -6.451 0.763 7.793 1.00 0.12 H new ATOM 0 HA3 GLY A 263 -7.376 -0.419 6.887 1.00 0.12 H new ATOM 270 N ILE A 264 -4.112 -0.207 6.487 1.00 0.09 N ATOM 271 CA ILE A 264 -2.897 -1.002 6.441 1.00 0.09 C ATOM 272 C ILE A 264 -1.713 -0.258 7.040 1.00 0.08 C ATOM 273 O ILE A 264 -1.611 0.972 6.950 1.00 0.11 O ATOM 274 CB ILE A 264 -2.532 -1.439 5.006 1.00 0.12 C ATOM 275 CG1 ILE A 264 -2.809 -0.311 4.006 1.00 0.14 C ATOM 276 CG2 ILE A 264 -3.293 -2.700 4.627 1.00 0.17 C ATOM 277 CD1 ILE A 264 -2.277 -0.585 2.615 1.00 0.18 C ATOM 0 H ILE A 264 -3.990 0.771 6.223 1.00 0.09 H new ATOM 0 HA ILE A 264 -3.107 -1.891 7.036 1.00 0.09 H new ATOM 0 HB ILE A 264 -1.465 -1.660 4.974 1.00 0.12 H new ATOM 0 HG12 ILE A 264 -3.885 -0.146 3.948 1.00 0.14 H new ATOM 0 HG13 ILE A 264 -2.364 0.611 4.380 1.00 0.14 H new ATOM 0 HG21 ILE A 264 -3.025 -2.996 3.613 1.00 0.17 H new ATOM 0 HG22 ILE A 264 -3.036 -3.502 5.319 1.00 0.17 H new ATOM 0 HG23 ILE A 264 -4.365 -2.507 4.678 1.00 0.17 H new ATOM 0 HD11 ILE A 264 -2.511 0.257 1.964 1.00 0.18 H new ATOM 0 HD12 ILE A 264 -1.196 -0.721 2.659 1.00 0.18 H new ATOM 0 HD13 ILE A 264 -2.740 -1.489 2.220 1.00 0.18 H new ATOM 289 N SER A 265 -0.833 -1.021 7.669 1.00 0.09 N ATOM 290 CA SER A 265 0.370 -0.481 8.272 1.00 0.12 C ATOM 291 C SER A 265 1.528 -0.661 7.298 1.00 0.11 C ATOM 292 O SER A 265 1.892 -1.789 6.968 1.00 0.19 O ATOM 293 CB SER A 265 0.666 -1.213 9.581 1.00 0.20 C ATOM 294 OG SER A 265 -0.470 -1.948 10.018 1.00 1.00 O ATOM 0 H SER A 265 -0.935 -2.030 7.774 1.00 0.09 H new ATOM 0 HA SER A 265 0.235 0.579 8.489 1.00 0.12 H new ATOM 0 HB2 SER A 265 1.510 -1.889 9.442 1.00 0.20 H new ATOM 0 HB3 SER A 265 0.956 -0.494 10.347 1.00 0.20 H new ATOM 0 HG SER A 265 -0.918 -1.459 10.739 1.00 1.00 H new ATOM 300 N ILE A 266 2.084 0.435 6.819 1.00 0.10 N ATOM 301 CA ILE A 266 3.185 0.359 5.873 1.00 0.11 C ATOM 302 C ILE A 266 4.509 0.219 6.615 1.00 0.13 C ATOM 303 O ILE A 266 4.819 1.002 7.511 1.00 0.28 O ATOM 304 CB ILE A 266 3.247 1.590 4.935 1.00 0.13 C ATOM 305 CG1 ILE A 266 1.840 2.092 4.559 1.00 0.14 C ATOM 306 CG2 ILE A 266 4.035 1.240 3.679 1.00 0.19 C ATOM 307 CD1 ILE A 266 0.954 1.020 3.967 1.00 0.16 C ATOM 0 H ILE A 266 1.796 1.382 7.065 1.00 0.10 H new ATOM 0 HA ILE A 266 3.009 -0.520 5.253 1.00 0.11 H new ATOM 0 HB ILE A 266 3.750 2.396 5.469 1.00 0.13 H new ATOM 0 HG12 ILE A 266 1.359 2.499 5.448 1.00 0.14 H new ATOM 0 HG13 ILE A 266 1.934 2.910 3.844 1.00 0.14 H new ATOM 0 HG21 ILE A 266 4.076 2.108 3.022 1.00 0.19 H new ATOM 0 HG22 ILE A 266 5.047 0.945 3.955 1.00 0.19 H new ATOM 0 HG23 ILE A 266 3.546 0.415 3.160 1.00 0.19 H new ATOM 0 HD11 ILE A 266 -0.020 1.445 3.726 1.00 0.16 H new ATOM 0 HD12 ILE A 266 1.413 0.629 3.059 1.00 0.16 H new ATOM 0 HD13 ILE A 266 0.829 0.212 4.688 1.00 0.16 H new ATOM 319 N VAL A 267 5.276 -0.798 6.257 1.00 0.12 N ATOM 320 CA VAL A 267 6.563 -1.042 6.885 1.00 0.14 C ATOM 321 C VAL A 267 7.686 -0.886 5.868 1.00 0.14 C ATOM 322 O VAL A 267 7.759 -1.631 4.892 1.00 0.23 O ATOM 323 CB VAL A 267 6.624 -2.450 7.519 1.00 0.24 C ATOM 324 CG1 VAL A 267 8.001 -2.729 8.105 1.00 0.29 C ATOM 325 CG2 VAL A 267 5.549 -2.598 8.584 1.00 0.31 C ATOM 0 H VAL A 267 5.027 -1.470 5.531 1.00 0.12 H new ATOM 0 HA VAL A 267 6.689 -0.305 7.678 1.00 0.14 H new ATOM 0 HB VAL A 267 6.440 -3.183 6.734 1.00 0.24 H new ATOM 0 HG11 VAL A 267 8.014 -3.727 8.544 1.00 0.29 H new ATOM 0 HG12 VAL A 267 8.751 -2.670 7.316 1.00 0.29 H new ATOM 0 HG13 VAL A 267 8.225 -1.991 8.875 1.00 0.29 H new ATOM 0 HG21 VAL A 267 5.605 -3.595 9.021 1.00 0.31 H new ATOM 0 HG22 VAL A 267 5.703 -1.851 9.363 1.00 0.31 H new ATOM 0 HG23 VAL A 267 4.567 -2.454 8.133 1.00 0.31 H new ATOM 335 N GLY A 268 8.540 0.099 6.091 1.00 0.17 N ATOM 336 CA GLY A 268 9.647 0.339 5.192 1.00 0.23 C ATOM 337 C GLY A 268 10.903 -0.373 5.647 1.00 0.23 C ATOM 338 O GLY A 268 11.460 -0.051 6.700 1.00 0.37 O ATOM 0 H GLY A 268 8.486 0.740 6.883 1.00 0.17 H new ATOM 0 HA2 GLY A 268 9.381 0.003 4.190 1.00 0.23 H new ATOM 0 HA3 GLY A 268 9.839 1.410 5.129 1.00 0.23 H new ATOM 342 N GLN A 269 11.343 -1.345 4.865 1.00 0.27 N ATOM 343 CA GLN A 269 12.538 -2.106 5.196 1.00 0.34 C ATOM 344 C GLN A 269 13.790 -1.314 4.838 1.00 0.38 C ATOM 345 O GLN A 269 14.051 -1.038 3.665 1.00 0.50 O ATOM 346 CB GLN A 269 12.534 -3.451 4.465 1.00 0.49 C ATOM 347 CG GLN A 269 13.657 -4.383 4.893 1.00 0.67 C ATOM 348 CD GLN A 269 13.633 -4.674 6.380 1.00 1.19 C ATOM 349 OE1 GLN A 269 14.233 -3.954 7.176 1.00 1.81 O ATOM 350 NE2 GLN A 269 12.941 -5.734 6.763 1.00 1.87 N ATOM 0 H GLN A 269 10.890 -1.626 3.995 1.00 0.27 H new ATOM 0 HA GLN A 269 12.541 -2.293 6.270 1.00 0.34 H new ATOM 0 HB2 GLN A 269 11.578 -3.945 4.637 1.00 0.49 H new ATOM 0 HB3 GLN A 269 12.611 -3.272 3.393 1.00 0.49 H new ATOM 0 HG2 GLN A 269 13.578 -5.320 4.341 1.00 0.67 H new ATOM 0 HG3 GLN A 269 14.616 -3.937 4.628 1.00 0.67 H new ATOM 0 HE21 GLN A 269 12.457 -6.305 6.070 1.00 1.87 H new ATOM 0 HE22 GLN A 269 12.891 -5.980 7.752 1.00 1.87 H new ATOM 359 N SER A 270 14.550 -0.942 5.850 1.00 0.55 N ATOM 360 CA SER A 270 15.771 -0.186 5.648 1.00 0.70 C ATOM 361 C SER A 270 16.967 -0.967 6.178 1.00 0.83 C ATOM 362 O SER A 270 17.200 -1.027 7.385 1.00 1.17 O ATOM 363 CB SER A 270 15.674 1.178 6.339 1.00 0.96 C ATOM 364 OG SER A 270 14.591 1.939 5.828 1.00 1.10 O ATOM 0 H SER A 270 14.342 -1.153 6.826 1.00 0.55 H new ATOM 0 HA SER A 270 15.908 -0.022 4.579 1.00 0.70 H new ATOM 0 HB2 SER A 270 15.547 1.036 7.412 1.00 0.96 H new ATOM 0 HB3 SER A 270 16.605 1.727 6.198 1.00 0.96 H new ATOM 0 HG SER A 270 14.553 2.803 6.288 1.00 1.10 H new ATOM 370 N ASN A 271 17.709 -1.590 5.275 1.00 0.91 N ATOM 371 CA ASN A 271 18.881 -2.365 5.662 1.00 1.15 C ATOM 372 C ASN A 271 20.116 -1.466 5.707 1.00 1.04 C ATOM 373 O ASN A 271 20.015 -0.281 6.039 1.00 1.29 O ATOM 374 CB ASN A 271 19.099 -3.522 4.685 1.00 1.43 C ATOM 375 CG ASN A 271 19.741 -4.727 5.349 1.00 2.09 C ATOM 376 OD1 ASN A 271 19.283 -5.187 6.396 1.00 2.75 O ATOM 377 ND2 ASN A 271 20.811 -5.238 4.756 1.00 2.37 N ATOM 0 H ASN A 271 17.522 -1.575 4.272 1.00 0.91 H new ATOM 0 HA ASN A 271 18.714 -2.779 6.657 1.00 1.15 H new ATOM 0 HB2 ASN A 271 18.142 -3.815 4.254 1.00 1.43 H new ATOM 0 HB3 ASN A 271 19.729 -3.185 3.862 1.00 1.43 H new ATOM 0 HD21 ASN A 271 21.286 -6.042 5.166 1.00 2.37 H new ATOM 0 HD22 ASN A 271 21.159 -4.827 3.889 1.00 2.37 H new ATOM 384 N ASP A 272 21.277 -2.023 5.370 1.00 1.04 N ATOM 385 CA ASP A 272 22.526 -1.267 5.369 1.00 1.02 C ATOM 386 C ASP A 272 22.473 -0.131 4.350 1.00 1.00 C ATOM 387 O ASP A 272 22.984 0.962 4.596 1.00 1.14 O ATOM 388 CB ASP A 272 23.715 -2.193 5.082 1.00 1.26 C ATOM 389 CG ASP A 272 23.721 -2.731 3.665 1.00 1.61 C ATOM 390 OD1 ASP A 272 22.820 -3.529 3.320 1.00 2.08 O ATOM 391 OD2 ASP A 272 24.623 -2.362 2.889 1.00 1.91 O ATOM 0 H ASP A 272 21.378 -2.999 5.093 1.00 1.04 H new ATOM 0 HA ASP A 272 22.659 -0.830 6.358 1.00 1.02 H new ATOM 0 HB2 ASP A 272 24.643 -1.650 5.262 1.00 1.26 H new ATOM 0 HB3 ASP A 272 23.694 -3.029 5.782 1.00 1.26 H new ATOM 396 N ARG A 273 21.850 -0.384 3.206 1.00 1.07 N ATOM 397 CA ARG A 273 21.727 0.639 2.183 1.00 1.28 C ATOM 398 C ARG A 273 20.443 1.436 2.407 1.00 1.10 C ATOM 399 O ARG A 273 20.472 2.665 2.467 1.00 1.41 O ATOM 400 CB ARG A 273 21.736 0.031 0.777 1.00 1.59 C ATOM 401 CG ARG A 273 21.924 1.069 -0.318 1.00 1.84 C ATOM 402 CD ARG A 273 21.618 0.508 -1.695 1.00 1.60 C ATOM 403 NE ARG A 273 22.778 -0.127 -2.319 1.00 1.78 N ATOM 404 CZ ARG A 273 22.703 -0.885 -3.414 1.00 2.01 C ATOM 405 NH1 ARG A 273 21.521 -1.185 -3.937 1.00 1.92 N ATOM 406 NH2 ARG A 273 23.810 -1.363 -3.971 1.00 2.63 N ATOM 0 H ARG A 273 21.427 -1.281 2.967 1.00 1.07 H new ATOM 0 HA ARG A 273 22.587 1.304 2.259 1.00 1.28 H new ATOM 0 HB2 ARG A 273 22.535 -0.707 0.711 1.00 1.59 H new ATOM 0 HB3 ARG A 273 20.798 -0.499 0.610 1.00 1.59 H new ATOM 0 HG2 ARG A 273 21.275 1.923 -0.123 1.00 1.84 H new ATOM 0 HG3 ARG A 273 22.950 1.436 -0.296 1.00 1.84 H new ATOM 0 HD2 ARG A 273 20.811 -0.220 -1.615 1.00 1.60 H new ATOM 0 HD3 ARG A 273 21.260 1.312 -2.338 1.00 1.60 H new ATOM 0 HE ARG A 273 23.694 0.017 -1.894 1.00 1.78 H new ATOM 0 HH11 ARG A 273 20.667 -0.836 -3.502 1.00 1.92 H new ATOM 0 HH12 ARG A 273 21.466 -1.765 -4.774 1.00 1.92 H new ATOM 0 HH21 ARG A 273 24.720 -1.151 -3.561 1.00 2.63 H new ATOM 0 HH22 ARG A 273 23.750 -1.942 -4.808 1.00 2.63 H new ATOM 420 N GLY A 274 19.319 0.733 2.529 1.00 0.89 N ATOM 421 CA GLY A 274 18.053 1.403 2.770 1.00 0.89 C ATOM 422 C GLY A 274 16.984 1.039 1.759 1.00 0.72 C ATOM 423 O GLY A 274 15.796 1.228 2.011 1.00 0.97 O ATOM 0 H GLY A 274 19.263 -0.283 2.466 1.00 0.89 H new ATOM 0 HA2 GLY A 274 17.700 1.150 3.770 1.00 0.89 H new ATOM 0 HA3 GLY A 274 18.210 2.481 2.751 1.00 0.89 H new ATOM 427 N ASP A 275 17.397 0.501 0.624 1.00 0.65 N ATOM 428 CA ASP A 275 16.460 0.122 -0.428 1.00 0.66 C ATOM 429 C ASP A 275 15.908 -1.285 -0.202 1.00 0.69 C ATOM 430 O ASP A 275 16.280 -2.243 -0.883 1.00 1.44 O ATOM 431 CB ASP A 275 17.113 0.236 -1.814 1.00 0.91 C ATOM 432 CG ASP A 275 18.427 -0.523 -1.945 1.00 1.10 C ATOM 433 OD1 ASP A 275 18.942 -1.040 -0.929 1.00 1.53 O ATOM 434 OD2 ASP A 275 18.962 -0.588 -3.073 1.00 1.75 O ATOM 0 H ASP A 275 18.376 0.315 0.404 1.00 0.65 H new ATOM 0 HA ASP A 275 15.622 0.818 -0.389 1.00 0.66 H new ATOM 0 HB2 ASP A 275 16.415 -0.135 -2.565 1.00 0.91 H new ATOM 0 HB3 ASP A 275 17.290 1.289 -2.035 1.00 0.91 H new ATOM 439 N GLY A 276 15.025 -1.402 0.777 1.00 0.48 N ATOM 440 CA GLY A 276 14.423 -2.682 1.081 1.00 0.43 C ATOM 441 C GLY A 276 13.018 -2.797 0.528 1.00 0.37 C ATOM 442 O GLY A 276 12.591 -3.877 0.114 1.00 0.52 O ATOM 0 H GLY A 276 14.714 -0.631 1.368 1.00 0.48 H new ATOM 0 HA2 GLY A 276 15.041 -3.480 0.668 1.00 0.43 H new ATOM 0 HA3 GLY A 276 14.399 -2.823 2.162 1.00 0.43 H new ATOM 446 N GLY A 277 12.301 -1.682 0.516 1.00 0.30 N ATOM 447 CA GLY A 277 10.948 -1.673 0.001 1.00 0.29 C ATOM 448 C GLY A 277 9.918 -1.564 1.106 1.00 0.24 C ATOM 449 O GLY A 277 10.238 -1.756 2.283 1.00 0.27 O ATOM 0 H GLY A 277 12.635 -0.780 0.856 1.00 0.30 H new ATOM 0 HA2 GLY A 277 10.829 -0.837 -0.689 1.00 0.29 H new ATOM 0 HA3 GLY A 277 10.772 -2.585 -0.570 1.00 0.29 H new ATOM 453 N ILE A 278 8.685 -1.256 0.732 1.00 0.21 N ATOM 454 CA ILE A 278 7.607 -1.125 1.699 1.00 0.19 C ATOM 455 C ILE A 278 6.718 -2.365 1.691 1.00 0.18 C ATOM 456 O ILE A 278 6.264 -2.820 0.636 1.00 0.23 O ATOM 457 CB ILE A 278 6.756 0.136 1.443 1.00 0.20 C ATOM 458 CG1 ILE A 278 6.421 0.277 -0.044 1.00 0.23 C ATOM 459 CG2 ILE A 278 7.486 1.374 1.947 1.00 0.23 C ATOM 460 CD1 ILE A 278 5.375 1.335 -0.332 1.00 0.27 C ATOM 0 H ILE A 278 8.407 -1.092 -0.235 1.00 0.21 H new ATOM 0 HA ILE A 278 8.069 -1.025 2.681 1.00 0.19 H new ATOM 0 HB ILE A 278 5.819 0.035 1.991 1.00 0.20 H new ATOM 0 HG12 ILE A 278 7.332 0.520 -0.592 1.00 0.23 H new ATOM 0 HG13 ILE A 278 6.068 -0.683 -0.421 1.00 0.23 H new ATOM 0 HG21 ILE A 278 6.875 2.257 1.761 1.00 0.23 H new ATOM 0 HG22 ILE A 278 7.669 1.278 3.017 1.00 0.23 H new ATOM 0 HG23 ILE A 278 8.437 1.474 1.424 1.00 0.23 H new ATOM 0 HD11 ILE A 278 5.188 1.379 -1.405 1.00 0.27 H new ATOM 0 HD12 ILE A 278 4.450 1.083 0.187 1.00 0.27 H new ATOM 0 HD13 ILE A 278 5.733 2.305 0.014 1.00 0.27 H new ATOM 472 N TYR A 279 6.491 -2.919 2.872 1.00 0.15 N ATOM 473 CA TYR A 279 5.674 -4.113 3.019 1.00 0.16 C ATOM 474 C TYR A 279 4.447 -3.836 3.877 1.00 0.15 C ATOM 475 O TYR A 279 4.379 -2.822 4.577 1.00 0.18 O ATOM 476 CB TYR A 279 6.485 -5.237 3.667 1.00 0.19 C ATOM 477 CG TYR A 279 7.681 -5.683 2.864 1.00 0.24 C ATOM 478 CD1 TYR A 279 8.903 -5.030 2.978 1.00 0.42 C ATOM 479 CD2 TYR A 279 7.593 -6.763 1.998 1.00 0.44 C ATOM 480 CE1 TYR A 279 10.000 -5.442 2.248 1.00 0.55 C ATOM 481 CE2 TYR A 279 8.685 -7.180 1.267 1.00 0.57 C ATOM 482 CZ TYR A 279 9.887 -6.518 1.397 1.00 0.55 C ATOM 483 OH TYR A 279 10.977 -6.931 0.666 1.00 0.72 O ATOM 0 H TYR A 279 6.865 -2.557 3.749 1.00 0.15 H new ATOM 0 HA TYR A 279 5.352 -4.415 2.022 1.00 0.16 H new ATOM 0 HB2 TYR A 279 6.824 -4.905 4.648 1.00 0.19 H new ATOM 0 HB3 TYR A 279 5.831 -6.094 3.829 1.00 0.19 H new ATOM 0 HD1 TYR A 279 8.996 -4.188 3.648 1.00 0.42 H new ATOM 0 HD2 TYR A 279 6.654 -7.286 1.895 1.00 0.44 H new ATOM 0 HE1 TYR A 279 10.942 -4.923 2.344 1.00 0.55 H new ATOM 0 HE2 TYR A 279 8.599 -8.022 0.596 1.00 0.57 H new ATOM 0 HH TYR A 279 10.814 -6.766 -0.286 1.00 0.72 H new ATOM 493 N ILE A 280 3.479 -4.736 3.808 1.00 0.16 N ATOM 494 CA ILE A 280 2.266 -4.618 4.602 1.00 0.16 C ATOM 495 C ILE A 280 2.498 -5.232 5.977 1.00 0.17 C ATOM 496 O ILE A 280 2.651 -6.444 6.103 1.00 0.21 O ATOM 497 CB ILE A 280 1.071 -5.322 3.921 1.00 0.19 C ATOM 498 CG1 ILE A 280 0.802 -4.716 2.538 1.00 0.21 C ATOM 499 CG2 ILE A 280 -0.179 -5.243 4.795 1.00 0.21 C ATOM 500 CD1 ILE A 280 0.395 -3.262 2.576 1.00 0.24 C ATOM 0 H ILE A 280 3.510 -5.560 3.207 1.00 0.16 H new ATOM 0 HA ILE A 280 2.026 -3.559 4.697 1.00 0.16 H new ATOM 0 HB ILE A 280 1.328 -6.373 3.791 1.00 0.19 H new ATOM 0 HG12 ILE A 280 1.699 -4.816 1.927 1.00 0.21 H new ATOM 0 HG13 ILE A 280 0.017 -5.290 2.047 1.00 0.21 H new ATOM 0 HG21 ILE A 280 -1.006 -5.746 4.293 1.00 0.21 H new ATOM 0 HG22 ILE A 280 0.014 -5.729 5.751 1.00 0.21 H new ATOM 0 HG23 ILE A 280 -0.439 -4.198 4.965 1.00 0.21 H new ATOM 0 HD11 ILE A 280 0.223 -2.906 1.560 1.00 0.24 H new ATOM 0 HD12 ILE A 280 -0.520 -3.155 3.158 1.00 0.24 H new ATOM 0 HD13 ILE A 280 1.189 -2.674 3.037 1.00 0.24 H new ATOM 512 N GLY A 281 2.540 -4.394 6.998 1.00 0.20 N ATOM 513 CA GLY A 281 2.767 -4.878 8.344 1.00 0.23 C ATOM 514 C GLY A 281 1.559 -5.580 8.923 1.00 0.24 C ATOM 515 O GLY A 281 1.667 -6.703 9.416 1.00 0.42 O ATOM 0 H GLY A 281 2.421 -3.384 6.920 1.00 0.20 H new ATOM 0 HA2 GLY A 281 3.614 -5.564 8.341 1.00 0.23 H new ATOM 0 HA3 GLY A 281 3.038 -4.040 8.986 1.00 0.23 H new ATOM 519 N SER A 282 0.413 -4.920 8.870 1.00 0.25 N ATOM 520 CA SER A 282 -0.818 -5.484 9.402 1.00 0.29 C ATOM 521 C SER A 282 -2.031 -4.853 8.729 1.00 0.26 C ATOM 522 O SER A 282 -1.918 -3.804 8.088 1.00 0.30 O ATOM 523 CB SER A 282 -0.885 -5.264 10.916 1.00 0.35 C ATOM 524 OG SER A 282 0.188 -4.445 11.364 1.00 0.75 O ATOM 0 H SER A 282 0.309 -3.991 8.463 1.00 0.25 H new ATOM 0 HA SER A 282 -0.825 -6.554 9.197 1.00 0.29 H new ATOM 0 HB2 SER A 282 -1.835 -4.798 11.177 1.00 0.35 H new ATOM 0 HB3 SER A 282 -0.850 -6.226 11.428 1.00 0.35 H new ATOM 0 HG SER A 282 0.098 -3.548 10.979 1.00 0.75 H new ATOM 530 N ILE A 283 -3.183 -5.496 8.874 1.00 0.24 N ATOM 531 CA ILE A 283 -4.420 -5.000 8.290 1.00 0.23 C ATOM 532 C ILE A 283 -5.395 -4.604 9.393 1.00 0.23 C ATOM 533 O ILE A 283 -5.571 -5.331 10.371 1.00 0.30 O ATOM 534 CB ILE A 283 -5.089 -6.053 7.379 1.00 0.27 C ATOM 535 CG1 ILE A 283 -4.075 -6.644 6.398 1.00 0.32 C ATOM 536 CG2 ILE A 283 -6.258 -5.434 6.626 1.00 0.29 C ATOM 537 CD1 ILE A 283 -4.614 -7.825 5.622 1.00 0.53 C ATOM 0 H ILE A 283 -3.285 -6.367 9.395 1.00 0.24 H new ATOM 0 HA ILE A 283 -4.167 -4.132 7.681 1.00 0.23 H new ATOM 0 HB ILE A 283 -5.466 -6.860 8.007 1.00 0.27 H new ATOM 0 HG12 ILE A 283 -3.763 -5.869 5.698 1.00 0.32 H new ATOM 0 HG13 ILE A 283 -3.186 -6.954 6.947 1.00 0.32 H new ATOM 0 HG21 ILE A 283 -6.720 -6.188 5.988 1.00 0.29 H new ATOM 0 HG22 ILE A 283 -6.994 -5.062 7.339 1.00 0.29 H new ATOM 0 HG23 ILE A 283 -5.899 -4.609 6.011 1.00 0.29 H new ATOM 0 HD11 ILE A 283 -3.845 -8.197 4.945 1.00 0.53 H new ATOM 0 HD12 ILE A 283 -4.900 -8.616 6.315 1.00 0.53 H new ATOM 0 HD13 ILE A 283 -5.486 -7.515 5.046 1.00 0.53 H new ATOM 549 N MET A 284 -6.011 -3.442 9.244 1.00 0.20 N ATOM 550 CA MET A 284 -6.964 -2.949 10.223 1.00 0.21 C ATOM 551 C MET A 284 -8.384 -3.292 9.796 1.00 0.22 C ATOM 552 O MET A 284 -8.787 -3.013 8.665 1.00 0.23 O ATOM 553 CB MET A 284 -6.817 -1.434 10.389 1.00 0.24 C ATOM 554 CG MET A 284 -5.511 -1.009 11.037 1.00 0.35 C ATOM 555 SD MET A 284 -5.363 -1.548 12.754 1.00 0.54 S ATOM 556 CE MET A 284 -4.307 -2.988 12.578 1.00 0.74 C ATOM 0 H MET A 284 -5.866 -2.820 8.449 1.00 0.20 H new ATOM 0 HA MET A 284 -6.759 -3.429 11.180 1.00 0.21 H new ATOM 0 HB2 MET A 284 -6.896 -0.962 9.410 1.00 0.24 H new ATOM 0 HB3 MET A 284 -7.647 -1.062 10.990 1.00 0.24 H new ATOM 0 HG2 MET A 284 -4.678 -1.415 10.462 1.00 0.35 H new ATOM 0 HG3 MET A 284 -5.428 0.077 10.995 1.00 0.35 H new ATOM 0 HE1 MET A 284 -4.792 -3.853 13.031 1.00 0.74 H new ATOM 0 HE2 MET A 284 -4.131 -3.183 11.520 1.00 0.74 H new ATOM 0 HE3 MET A 284 -3.355 -2.804 13.076 1.00 0.74 H new ATOM 566 N LYS A 285 -9.134 -3.903 10.704 1.00 0.28 N ATOM 567 CA LYS A 285 -10.511 -4.289 10.433 1.00 0.33 C ATOM 568 C LYS A 285 -11.364 -3.051 10.171 1.00 0.33 C ATOM 569 O LYS A 285 -11.307 -2.075 10.922 1.00 0.46 O ATOM 570 CB LYS A 285 -11.075 -5.087 11.616 1.00 0.43 C ATOM 571 CG LYS A 285 -12.236 -6.001 11.250 1.00 0.49 C ATOM 572 CD LYS A 285 -11.819 -7.076 10.257 1.00 0.63 C ATOM 573 CE LYS A 285 -12.756 -8.275 10.292 1.00 0.83 C ATOM 574 NZ LYS A 285 -14.131 -7.925 9.852 1.00 1.01 N ATOM 0 H LYS A 285 -8.808 -4.143 11.640 1.00 0.28 H new ATOM 0 HA LYS A 285 -10.533 -4.919 9.544 1.00 0.33 H new ATOM 0 HB2 LYS A 285 -10.276 -5.688 12.049 1.00 0.43 H new ATOM 0 HB3 LYS A 285 -11.404 -4.390 12.387 1.00 0.43 H new ATOM 0 HG2 LYS A 285 -12.626 -6.472 12.152 1.00 0.49 H new ATOM 0 HG3 LYS A 285 -13.045 -5.408 10.825 1.00 0.49 H new ATOM 0 HD2 LYS A 285 -11.805 -6.656 9.251 1.00 0.63 H new ATOM 0 HD3 LYS A 285 -10.803 -7.402 10.480 1.00 0.63 H new ATOM 0 HE2 LYS A 285 -12.360 -9.062 9.650 1.00 0.83 H new ATOM 0 HE3 LYS A 285 -12.792 -8.677 11.305 1.00 0.83 H new ATOM 0 HZ1 LYS A 285 -14.726 -8.778 9.859 1.00 1.01 H new ATOM 0 HZ2 LYS A 285 -14.533 -7.217 10.499 1.00 1.01 H new ATOM 0 HZ3 LYS A 285 -14.098 -7.534 8.889 1.00 1.01 H new ATOM 588 N GLY A 286 -12.142 -3.092 9.100 1.00 0.33 N ATOM 589 CA GLY A 286 -12.986 -1.966 8.747 1.00 0.35 C ATOM 590 C GLY A 286 -12.394 -1.137 7.625 1.00 0.30 C ATOM 591 O GLY A 286 -13.030 -0.211 7.120 1.00 0.36 O ATOM 0 H GLY A 286 -12.205 -3.888 8.465 1.00 0.33 H new ATOM 0 HA2 GLY A 286 -13.969 -2.330 8.448 1.00 0.35 H new ATOM 0 HA3 GLY A 286 -13.133 -1.335 9.624 1.00 0.35 H new ATOM 595 N GLY A 287 -11.168 -1.463 7.241 1.00 0.26 N ATOM 596 CA GLY A 287 -10.505 -0.738 6.176 1.00 0.24 C ATOM 597 C GLY A 287 -10.866 -1.270 4.802 1.00 0.22 C ATOM 598 O GLY A 287 -11.509 -2.315 4.680 1.00 0.24 O ATOM 0 H GLY A 287 -10.619 -2.219 7.650 1.00 0.26 H new ATOM 0 HA2 GLY A 287 -10.774 0.317 6.236 1.00 0.24 H new ATOM 0 HA3 GLY A 287 -9.426 -0.801 6.315 1.00 0.24 H new ATOM 602 N ALA A 288 -10.446 -0.553 3.768 1.00 0.21 N ATOM 603 CA ALA A 288 -10.718 -0.949 2.392 1.00 0.22 C ATOM 604 C ALA A 288 -10.006 -2.253 2.046 1.00 0.22 C ATOM 605 O ALA A 288 -10.537 -3.084 1.307 1.00 0.25 O ATOM 606 CB ALA A 288 -10.301 0.159 1.435 1.00 0.24 C ATOM 0 H ALA A 288 -9.912 0.312 3.857 1.00 0.21 H new ATOM 0 HA ALA A 288 -11.790 -1.116 2.290 1.00 0.22 H new ATOM 0 HB1 ALA A 288 -10.509 -0.148 0.410 1.00 0.24 H new ATOM 0 HB2 ALA A 288 -10.861 1.066 1.663 1.00 0.24 H new ATOM 0 HB3 ALA A 288 -9.234 0.353 1.546 1.00 0.24 H new ATOM 612 N VAL A 289 -8.813 -2.431 2.600 1.00 0.20 N ATOM 613 CA VAL A 289 -8.021 -3.632 2.357 1.00 0.21 C ATOM 614 C VAL A 289 -8.634 -4.835 3.070 1.00 0.23 C ATOM 615 O VAL A 289 -8.627 -5.953 2.553 1.00 0.26 O ATOM 616 CB VAL A 289 -6.561 -3.442 2.826 1.00 0.20 C ATOM 617 CG1 VAL A 289 -5.744 -4.705 2.593 1.00 0.23 C ATOM 618 CG2 VAL A 289 -5.925 -2.255 2.117 1.00 0.20 C ATOM 0 H VAL A 289 -8.370 -1.756 3.224 1.00 0.20 H new ATOM 0 HA VAL A 289 -8.022 -3.813 1.282 1.00 0.21 H new ATOM 0 HB VAL A 289 -6.572 -3.241 3.897 1.00 0.20 H new ATOM 0 HG11 VAL A 289 -4.721 -4.544 2.932 1.00 0.23 H new ATOM 0 HG12 VAL A 289 -6.185 -5.532 3.150 1.00 0.23 H new ATOM 0 HG13 VAL A 289 -5.741 -4.945 1.530 1.00 0.23 H new ATOM 0 HG21 VAL A 289 -4.897 -2.135 2.459 1.00 0.20 H new ATOM 0 HG22 VAL A 289 -5.932 -2.428 1.041 1.00 0.20 H new ATOM 0 HG23 VAL A 289 -6.490 -1.351 2.343 1.00 0.20 H new ATOM 628 N ALA A 290 -9.193 -4.586 4.248 1.00 0.23 N ATOM 629 CA ALA A 290 -9.812 -5.639 5.044 1.00 0.27 C ATOM 630 C ALA A 290 -11.064 -6.177 4.366 1.00 0.29 C ATOM 631 O ALA A 290 -11.472 -7.310 4.606 1.00 0.37 O ATOM 632 CB ALA A 290 -10.144 -5.121 6.432 1.00 0.29 C ATOM 0 H ALA A 290 -9.230 -3.660 4.675 1.00 0.23 H new ATOM 0 HA ALA A 290 -9.100 -6.459 5.133 1.00 0.27 H new ATOM 0 HB1 ALA A 290 -10.606 -5.917 7.017 1.00 0.29 H new ATOM 0 HB2 ALA A 290 -9.230 -4.792 6.926 1.00 0.29 H new ATOM 0 HB3 ALA A 290 -10.835 -4.282 6.352 1.00 0.29 H new ATOM 638 N ALA A 291 -11.670 -5.355 3.521 1.00 0.29 N ATOM 639 CA ALA A 291 -12.871 -5.753 2.806 1.00 0.32 C ATOM 640 C ALA A 291 -12.530 -6.644 1.613 1.00 0.32 C ATOM 641 O ALA A 291 -13.399 -7.328 1.066 1.00 0.41 O ATOM 642 CB ALA A 291 -13.647 -4.530 2.347 1.00 0.38 C ATOM 0 H ALA A 291 -11.349 -4.409 3.315 1.00 0.29 H new ATOM 0 HA ALA A 291 -13.495 -6.327 3.491 1.00 0.32 H new ATOM 0 HB1 ALA A 291 -14.543 -4.847 1.813 1.00 0.38 H new ATOM 0 HB2 ALA A 291 -13.932 -3.934 3.214 1.00 0.38 H new ATOM 0 HB3 ALA A 291 -13.023 -3.931 1.684 1.00 0.38 H new ATOM 648 N ASP A 292 -11.262 -6.631 1.216 1.00 0.31 N ATOM 649 CA ASP A 292 -10.810 -7.433 0.087 1.00 0.32 C ATOM 650 C ASP A 292 -10.365 -8.814 0.553 1.00 0.30 C ATOM 651 O ASP A 292 -11.082 -9.800 0.370 1.00 0.38 O ATOM 652 CB ASP A 292 -9.666 -6.738 -0.649 1.00 0.37 C ATOM 653 CG ASP A 292 -9.413 -7.366 -1.999 1.00 0.43 C ATOM 654 OD1 ASP A 292 -10.048 -6.931 -2.977 1.00 0.55 O ATOM 655 OD2 ASP A 292 -8.596 -8.305 -2.081 1.00 0.45 O ATOM 0 H ASP A 292 -10.531 -6.075 1.659 1.00 0.31 H new ATOM 0 HA ASP A 292 -11.648 -7.547 -0.600 1.00 0.32 H new ATOM 0 HB2 ASP A 292 -9.903 -5.682 -0.777 1.00 0.37 H new ATOM 0 HB3 ASP A 292 -8.759 -6.791 -0.046 1.00 0.37 H new ATOM 660 N GLY A 293 -9.181 -8.888 1.151 1.00 0.29 N ATOM 661 CA GLY A 293 -8.685 -10.159 1.648 1.00 0.33 C ATOM 662 C GLY A 293 -7.497 -10.709 0.876 1.00 0.33 C ATOM 663 O GLY A 293 -6.784 -11.575 1.381 1.00 0.39 O ATOM 0 H GLY A 293 -8.558 -8.095 1.300 1.00 0.29 H new ATOM 0 HA2 GLY A 293 -8.402 -10.042 2.694 1.00 0.33 H new ATOM 0 HA3 GLY A 293 -9.494 -10.889 1.617 1.00 0.33 H new ATOM 667 N ARG A 294 -7.273 -10.219 -0.341 1.00 0.31 N ATOM 668 CA ARG A 294 -6.156 -10.702 -1.157 1.00 0.32 C ATOM 669 C ARG A 294 -4.813 -10.268 -0.578 1.00 0.30 C ATOM 670 O ARG A 294 -3.851 -11.040 -0.565 1.00 0.37 O ATOM 671 CB ARG A 294 -6.288 -10.222 -2.602 1.00 0.35 C ATOM 672 CG ARG A 294 -7.191 -11.106 -3.446 1.00 0.41 C ATOM 673 CD ARG A 294 -7.521 -10.457 -4.777 1.00 0.44 C ATOM 674 NE ARG A 294 -8.454 -9.342 -4.625 1.00 0.43 N ATOM 675 CZ ARG A 294 -9.205 -8.860 -5.616 1.00 0.54 C ATOM 676 NH1 ARG A 294 -9.118 -9.376 -6.841 1.00 0.68 N ATOM 677 NH2 ARG A 294 -10.030 -7.848 -5.391 1.00 0.58 N ATOM 0 H ARG A 294 -7.841 -9.496 -0.782 1.00 0.31 H new ATOM 0 HA ARG A 294 -6.193 -11.791 -1.146 1.00 0.32 H new ATOM 0 HB2 ARG A 294 -6.680 -9.205 -2.606 1.00 0.35 H new ATOM 0 HB3 ARG A 294 -5.298 -10.184 -3.057 1.00 0.35 H new ATOM 0 HG2 ARG A 294 -6.703 -12.065 -3.619 1.00 0.41 H new ATOM 0 HG3 ARG A 294 -8.113 -11.311 -2.902 1.00 0.41 H new ATOM 0 HD2 ARG A 294 -6.603 -10.101 -5.244 1.00 0.44 H new ATOM 0 HD3 ARG A 294 -7.951 -11.201 -5.447 1.00 0.44 H new ATOM 0 HE ARG A 294 -8.535 -8.907 -3.706 1.00 0.43 H new ATOM 0 HH11 ARG A 294 -8.474 -10.145 -7.026 1.00 0.68 H new ATOM 0 HH12 ARG A 294 -9.696 -9.002 -7.594 1.00 0.68 H new ATOM 0 HH21 ARG A 294 -10.091 -7.437 -4.459 1.00 0.58 H new ATOM 0 HH22 ARG A 294 -10.604 -7.480 -6.149 1.00 0.58 H new ATOM 691 N ILE A 295 -4.756 -9.038 -0.093 1.00 0.26 N ATOM 692 CA ILE A 295 -3.536 -8.508 0.497 1.00 0.25 C ATOM 693 C ILE A 295 -3.396 -9.011 1.929 1.00 0.25 C ATOM 694 O ILE A 295 -4.377 -9.058 2.673 1.00 0.29 O ATOM 695 CB ILE A 295 -3.531 -6.964 0.481 1.00 0.25 C ATOM 696 CG1 ILE A 295 -3.773 -6.451 -0.942 1.00 0.27 C ATOM 697 CG2 ILE A 295 -2.216 -6.423 1.026 1.00 0.27 C ATOM 698 CD1 ILE A 295 -3.947 -4.950 -1.028 1.00 0.37 C ATOM 0 H ILE A 295 -5.541 -8.387 -0.096 1.00 0.26 H new ATOM 0 HA ILE A 295 -2.691 -8.855 -0.098 1.00 0.25 H new ATOM 0 HB ILE A 295 -4.336 -6.609 1.124 1.00 0.25 H new ATOM 0 HG12 ILE A 295 -2.935 -6.747 -1.573 1.00 0.27 H new ATOM 0 HG13 ILE A 295 -4.662 -6.934 -1.346 1.00 0.27 H new ATOM 0 HG21 ILE A 295 -2.234 -5.333 1.005 1.00 0.27 H new ATOM 0 HG22 ILE A 295 -2.080 -6.764 2.052 1.00 0.27 H new ATOM 0 HG23 ILE A 295 -1.391 -6.784 0.411 1.00 0.27 H new ATOM 0 HD11 ILE A 295 -4.114 -4.662 -2.066 1.00 0.37 H new ATOM 0 HD12 ILE A 295 -4.803 -4.648 -0.425 1.00 0.37 H new ATOM 0 HD13 ILE A 295 -3.049 -4.458 -0.655 1.00 0.37 H new ATOM 710 N GLU A 296 -2.188 -9.411 2.300 1.00 0.24 N ATOM 711 CA GLU A 296 -1.930 -9.925 3.637 1.00 0.26 C ATOM 712 C GLU A 296 -0.600 -9.391 4.172 1.00 0.24 C ATOM 713 O GLU A 296 0.246 -8.943 3.395 1.00 0.22 O ATOM 714 CB GLU A 296 -1.916 -11.457 3.609 1.00 0.31 C ATOM 715 CG GLU A 296 -0.793 -12.044 2.767 1.00 0.36 C ATOM 716 CD GLU A 296 -1.006 -13.507 2.446 1.00 0.49 C ATOM 717 OE1 GLU A 296 -0.801 -14.350 3.341 1.00 0.69 O ATOM 718 OE2 GLU A 296 -1.378 -13.819 1.293 1.00 0.56 O ATOM 0 H GLU A 296 -1.369 -9.389 1.692 1.00 0.24 H new ATOM 0 HA GLU A 296 -2.725 -9.588 4.302 1.00 0.26 H new ATOM 0 HB2 GLU A 296 -1.825 -11.829 4.629 1.00 0.31 H new ATOM 0 HB3 GLU A 296 -2.871 -11.813 3.223 1.00 0.31 H new ATOM 0 HG2 GLU A 296 -0.709 -11.481 1.837 1.00 0.36 H new ATOM 0 HG3 GLU A 296 0.152 -11.927 3.297 1.00 0.36 H new ATOM 725 N PRO A 297 -0.408 -9.402 5.506 1.00 0.26 N ATOM 726 CA PRO A 297 0.839 -8.936 6.124 1.00 0.27 C ATOM 727 C PRO A 297 2.052 -9.663 5.558 1.00 0.27 C ATOM 728 O PRO A 297 2.168 -10.883 5.670 1.00 0.41 O ATOM 729 CB PRO A 297 0.653 -9.262 7.606 1.00 0.32 C ATOM 730 CG PRO A 297 -0.819 -9.331 7.805 1.00 0.34 C ATOM 731 CD PRO A 297 -1.388 -9.848 6.512 1.00 0.32 C ATOM 0 HA PRO A 297 1.023 -7.878 5.938 1.00 0.27 H new ATOM 0 HB2 PRO A 297 1.131 -10.207 7.865 1.00 0.32 H new ATOM 0 HB3 PRO A 297 1.101 -8.495 8.238 1.00 0.32 H new ATOM 0 HG2 PRO A 297 -1.070 -9.993 8.634 1.00 0.34 H new ATOM 0 HG3 PRO A 297 -1.227 -8.349 8.046 1.00 0.34 H new ATOM 0 HD2 PRO A 297 -1.488 -10.933 6.522 1.00 0.32 H new ATOM 0 HD3 PRO A 297 -2.379 -9.439 6.317 1.00 0.32 H new ATOM 739 N GLY A 298 2.948 -8.906 4.948 1.00 0.27 N ATOM 740 CA GLY A 298 4.130 -9.486 4.350 1.00 0.28 C ATOM 741 C GLY A 298 4.220 -9.162 2.873 1.00 0.25 C ATOM 742 O GLY A 298 5.293 -9.248 2.275 1.00 0.29 O ATOM 0 H GLY A 298 2.877 -7.893 4.856 1.00 0.27 H new ATOM 0 HA2 GLY A 298 5.018 -9.113 4.860 1.00 0.28 H new ATOM 0 HA3 GLY A 298 4.115 -10.567 4.486 1.00 0.28 H new ATOM 746 N ASP A 299 3.083 -8.793 2.291 1.00 0.22 N ATOM 747 CA ASP A 299 3.016 -8.440 0.876 1.00 0.22 C ATOM 748 C ASP A 299 3.823 -7.177 0.607 1.00 0.20 C ATOM 749 O ASP A 299 3.886 -6.280 1.450 1.00 0.21 O ATOM 750 CB ASP A 299 1.564 -8.220 0.433 1.00 0.24 C ATOM 751 CG ASP A 299 0.794 -9.513 0.219 1.00 0.27 C ATOM 752 OD1 ASP A 299 1.422 -10.578 0.051 1.00 0.34 O ATOM 753 OD2 ASP A 299 -0.454 -9.471 0.214 1.00 0.28 O ATOM 0 H ASP A 299 2.190 -8.730 2.781 1.00 0.22 H new ATOM 0 HA ASP A 299 3.436 -9.268 0.305 1.00 0.22 H new ATOM 0 HB2 ASP A 299 1.050 -7.620 1.184 1.00 0.24 H new ATOM 0 HB3 ASP A 299 1.558 -7.645 -0.493 1.00 0.24 H new ATOM 758 N MET A 300 4.441 -7.110 -0.562 1.00 0.21 N ATOM 759 CA MET A 300 5.245 -5.956 -0.933 1.00 0.21 C ATOM 760 C MET A 300 4.467 -5.043 -1.874 1.00 0.19 C ATOM 761 O MET A 300 3.844 -5.510 -2.829 1.00 0.21 O ATOM 762 CB MET A 300 6.548 -6.412 -1.591 1.00 0.27 C ATOM 763 CG MET A 300 7.573 -5.304 -1.750 1.00 0.32 C ATOM 764 SD MET A 300 9.216 -5.936 -2.157 1.00 0.50 S ATOM 765 CE MET A 300 8.922 -6.637 -3.780 1.00 1.26 C ATOM 0 H MET A 300 4.401 -7.842 -1.271 1.00 0.21 H new ATOM 0 HA MET A 300 5.485 -5.395 -0.030 1.00 0.21 H new ATOM 0 HB2 MET A 300 6.983 -7.215 -0.996 1.00 0.27 H new ATOM 0 HB3 MET A 300 6.322 -6.829 -2.572 1.00 0.27 H new ATOM 0 HG2 MET A 300 7.246 -4.620 -2.533 1.00 0.32 H new ATOM 0 HG3 MET A 300 7.627 -4.728 -0.826 1.00 0.32 H new ATOM 0 HE1 MET A 300 9.062 -7.717 -3.740 1.00 1.26 H new ATOM 0 HE2 MET A 300 7.902 -6.414 -4.093 1.00 1.26 H new ATOM 0 HE3 MET A 300 9.623 -6.207 -4.495 1.00 1.26 H new ATOM 775 N LEU A 301 4.501 -3.746 -1.598 1.00 0.19 N ATOM 776 CA LEU A 301 3.798 -2.770 -2.419 1.00 0.19 C ATOM 777 C LEU A 301 4.690 -2.302 -3.558 1.00 0.20 C ATOM 778 O LEU A 301 5.846 -1.941 -3.339 1.00 0.24 O ATOM 779 CB LEU A 301 3.364 -1.568 -1.574 1.00 0.23 C ATOM 780 CG LEU A 301 2.351 -1.874 -0.469 1.00 0.33 C ATOM 781 CD1 LEU A 301 2.231 -0.698 0.484 1.00 0.48 C ATOM 782 CD2 LEU A 301 0.996 -2.219 -1.068 1.00 0.47 C ATOM 0 H LEU A 301 5.009 -3.345 -0.810 1.00 0.19 H new ATOM 0 HA LEU A 301 2.910 -3.247 -2.833 1.00 0.19 H new ATOM 0 HB2 LEU A 301 4.250 -1.126 -1.119 1.00 0.23 H new ATOM 0 HB3 LEU A 301 2.937 -0.815 -2.236 1.00 0.23 H new ATOM 0 HG LEU A 301 2.706 -2.737 0.095 1.00 0.33 H new ATOM 0 HD11 LEU A 301 1.506 -0.934 1.263 1.00 0.48 H new ATOM 0 HD12 LEU A 301 3.201 -0.498 0.939 1.00 0.48 H new ATOM 0 HD13 LEU A 301 1.899 0.183 -0.065 1.00 0.48 H new ATOM 0 HD21 LEU A 301 0.288 -2.434 -0.267 1.00 0.47 H new ATOM 0 HD22 LEU A 301 0.633 -1.376 -1.657 1.00 0.47 H new ATOM 0 HD23 LEU A 301 1.094 -3.094 -1.710 1.00 0.47 H new ATOM 794 N LEU A 302 4.158 -2.330 -4.769 1.00 0.20 N ATOM 795 CA LEU A 302 4.917 -1.903 -5.937 1.00 0.22 C ATOM 796 C LEU A 302 4.354 -0.608 -6.507 1.00 0.22 C ATOM 797 O LEU A 302 4.909 0.472 -6.305 1.00 0.29 O ATOM 798 CB LEU A 302 4.896 -2.978 -7.028 1.00 0.27 C ATOM 799 CG LEU A 302 5.481 -4.339 -6.650 1.00 0.37 C ATOM 800 CD1 LEU A 302 5.473 -5.267 -7.857 1.00 0.53 C ATOM 801 CD2 LEU A 302 6.892 -4.188 -6.106 1.00 0.46 C ATOM 0 H LEU A 302 3.208 -2.642 -4.970 1.00 0.20 H new ATOM 0 HA LEU A 302 5.945 -1.739 -5.613 1.00 0.22 H new ATOM 0 HB2 LEU A 302 3.863 -3.125 -7.343 1.00 0.27 H new ATOM 0 HB3 LEU A 302 5.442 -2.599 -7.892 1.00 0.27 H new ATOM 0 HG LEU A 302 4.861 -4.775 -5.867 1.00 0.37 H new ATOM 0 HD11 LEU A 302 5.892 -6.233 -7.576 1.00 0.53 H new ATOM 0 HD12 LEU A 302 4.449 -5.403 -8.205 1.00 0.53 H new ATOM 0 HD13 LEU A 302 6.072 -4.830 -8.656 1.00 0.53 H new ATOM 0 HD21 LEU A 302 7.288 -5.169 -5.844 1.00 0.46 H new ATOM 0 HD22 LEU A 302 7.528 -3.731 -6.865 1.00 0.46 H new ATOM 0 HD23 LEU A 302 6.874 -3.555 -5.219 1.00 0.46 H new ATOM 813 N GLN A 303 3.238 -0.728 -7.207 1.00 0.21 N ATOM 814 CA GLN A 303 2.603 0.413 -7.838 1.00 0.22 C ATOM 815 C GLN A 303 1.232 0.680 -7.236 1.00 0.21 C ATOM 816 O GLN A 303 0.487 -0.246 -6.919 1.00 0.25 O ATOM 817 CB GLN A 303 2.488 0.164 -9.345 1.00 0.27 C ATOM 818 CG GLN A 303 1.528 1.099 -10.065 1.00 0.32 C ATOM 819 CD GLN A 303 1.446 0.823 -11.555 1.00 0.51 C ATOM 820 OE1 GLN A 303 2.538 0.346 -12.130 1.00 0.68 O flip ATOM 821 NE2 GLN A 303 0.404 1.030 -12.182 1.00 0.73 N flip ATOM 0 H GLN A 303 2.751 -1.613 -7.352 1.00 0.21 H new ATOM 0 HA GLN A 303 3.218 1.296 -7.663 1.00 0.22 H new ATOM 0 HB2 GLN A 303 3.477 0.262 -9.794 1.00 0.27 H new ATOM 0 HB3 GLN A 303 2.165 -0.864 -9.507 1.00 0.27 H new ATOM 0 HG2 GLN A 303 0.535 1.001 -9.627 1.00 0.32 H new ATOM 0 HG3 GLN A 303 1.845 2.130 -9.908 1.00 0.32 H new ATOM 0 HE21 GLN A 303 -0.416 1.399 -11.701 1.00 0.73 H new ATOM 0 HE22 GLN A 303 0.363 0.832 -13.182 1.00 0.73 H new ATOM 830 N VAL A 304 0.916 1.953 -7.066 1.00 0.20 N ATOM 831 CA VAL A 304 -0.366 2.363 -6.522 1.00 0.21 C ATOM 832 C VAL A 304 -0.938 3.493 -7.365 1.00 0.22 C ATOM 833 O VAL A 304 -0.512 4.636 -7.248 1.00 0.26 O ATOM 834 CB VAL A 304 -0.258 2.818 -5.048 1.00 0.24 C ATOM 835 CG1 VAL A 304 -1.614 3.265 -4.522 1.00 0.29 C ATOM 836 CG2 VAL A 304 0.305 1.701 -4.187 1.00 0.27 C ATOM 0 H VAL A 304 1.538 2.727 -7.300 1.00 0.20 H new ATOM 0 HA VAL A 304 -1.028 1.497 -6.550 1.00 0.21 H new ATOM 0 HB VAL A 304 0.423 3.668 -5.001 1.00 0.24 H new ATOM 0 HG11 VAL A 304 -1.515 3.581 -3.483 1.00 0.29 H new ATOM 0 HG12 VAL A 304 -1.980 4.098 -5.122 1.00 0.29 H new ATOM 0 HG13 VAL A 304 -2.319 2.436 -4.584 1.00 0.29 H new ATOM 0 HG21 VAL A 304 0.374 2.038 -3.153 1.00 0.27 H new ATOM 0 HG22 VAL A 304 -0.352 0.833 -4.242 1.00 0.27 H new ATOM 0 HG23 VAL A 304 1.297 1.429 -4.547 1.00 0.27 H new ATOM 846 N ASN A 305 -1.884 3.153 -8.231 1.00 0.27 N ATOM 847 CA ASN A 305 -2.523 4.125 -9.120 1.00 0.33 C ATOM 848 C ASN A 305 -1.509 4.757 -10.080 1.00 0.31 C ATOM 849 O ASN A 305 -1.178 5.942 -9.966 1.00 0.34 O ATOM 850 CB ASN A 305 -3.257 5.213 -8.320 1.00 0.39 C ATOM 851 CG ASN A 305 -4.614 4.751 -7.821 1.00 0.78 C ATOM 852 OD1 ASN A 305 -4.711 4.031 -6.829 1.00 1.71 O ATOM 853 ND2 ASN A 305 -5.672 5.167 -8.499 1.00 1.14 N ATOM 0 H ASN A 305 -2.232 2.200 -8.340 1.00 0.27 H new ATOM 0 HA ASN A 305 -3.259 3.584 -9.715 1.00 0.33 H new ATOM 0 HB2 ASN A 305 -2.643 5.511 -7.470 1.00 0.39 H new ATOM 0 HB3 ASN A 305 -3.385 6.096 -8.946 1.00 0.39 H new ATOM 0 HD21 ASN A 305 -6.608 4.891 -8.203 1.00 1.14 H new ATOM 0 HD22 ASN A 305 -5.551 5.764 -9.317 1.00 1.14 H new ATOM 860 N ASP A 306 -1.004 3.931 -11.000 1.00 0.32 N ATOM 861 CA ASP A 306 -0.044 4.346 -12.038 1.00 0.35 C ATOM 862 C ASP A 306 1.374 4.560 -11.503 1.00 0.31 C ATOM 863 O ASP A 306 2.331 4.014 -12.053 1.00 0.35 O ATOM 864 CB ASP A 306 -0.516 5.606 -12.778 1.00 0.42 C ATOM 865 CG ASP A 306 -1.202 5.289 -14.094 1.00 0.66 C ATOM 866 OD1 ASP A 306 -0.640 4.514 -14.897 1.00 1.06 O ATOM 867 OD2 ASP A 306 -2.308 5.814 -14.335 1.00 1.11 O ATOM 0 H ASP A 306 -1.250 2.942 -11.049 1.00 0.32 H new ATOM 0 HA ASP A 306 -0.004 3.513 -12.740 1.00 0.35 H new ATOM 0 HB2 ASP A 306 -1.203 6.162 -12.139 1.00 0.42 H new ATOM 0 HB3 ASP A 306 0.340 6.254 -12.966 1.00 0.42 H new ATOM 872 N VAL A 307 1.517 5.346 -10.443 1.00 0.30 N ATOM 873 CA VAL A 307 2.841 5.619 -9.888 1.00 0.29 C ATOM 874 C VAL A 307 3.456 4.367 -9.262 1.00 0.25 C ATOM 875 O VAL A 307 2.812 3.657 -8.485 1.00 0.28 O ATOM 876 CB VAL A 307 2.823 6.768 -8.851 1.00 0.34 C ATOM 877 CG1 VAL A 307 2.530 8.096 -9.531 1.00 0.71 C ATOM 878 CG2 VAL A 307 1.813 6.504 -7.749 1.00 0.53 C ATOM 0 H VAL A 307 0.746 5.801 -9.955 1.00 0.30 H new ATOM 0 HA VAL A 307 3.460 5.935 -10.728 1.00 0.29 H new ATOM 0 HB VAL A 307 3.811 6.818 -8.394 1.00 0.34 H new ATOM 0 HG11 VAL A 307 2.521 8.892 -8.786 1.00 0.71 H new ATOM 0 HG12 VAL A 307 3.301 8.302 -10.274 1.00 0.71 H new ATOM 0 HG13 VAL A 307 1.558 8.047 -10.021 1.00 0.71 H new ATOM 0 HG21 VAL A 307 1.826 7.330 -7.038 1.00 0.53 H new ATOM 0 HG22 VAL A 307 0.817 6.414 -8.182 1.00 0.53 H new ATOM 0 HG23 VAL A 307 2.070 5.578 -7.234 1.00 0.53 H new ATOM 888 N ASN A 308 4.702 4.099 -9.631 1.00 0.25 N ATOM 889 CA ASN A 308 5.431 2.942 -9.126 1.00 0.25 C ATOM 890 C ASN A 308 6.471 3.393 -8.104 1.00 0.24 C ATOM 891 O ASN A 308 7.179 4.373 -8.330 1.00 0.33 O ATOM 892 CB ASN A 308 6.102 2.203 -10.288 1.00 0.33 C ATOM 893 CG ASN A 308 6.672 0.859 -9.885 1.00 0.46 C ATOM 894 OD1 ASN A 308 6.260 0.269 -8.891 1.00 0.58 O ATOM 895 ND2 ASN A 308 7.622 0.365 -10.660 1.00 0.74 N ATOM 0 H ASN A 308 5.234 4.674 -10.285 1.00 0.25 H new ATOM 0 HA ASN A 308 4.735 2.260 -8.637 1.00 0.25 H new ATOM 0 HB2 ASN A 308 5.375 2.058 -11.087 1.00 0.33 H new ATOM 0 HB3 ASN A 308 6.901 2.824 -10.693 1.00 0.33 H new ATOM 0 HD21 ASN A 308 8.041 -0.539 -10.440 1.00 0.74 H new ATOM 0 HD22 ASN A 308 7.936 0.888 -11.478 1.00 0.74 H new ATOM 902 N PHE A 309 6.564 2.680 -6.989 1.00 0.22 N ATOM 903 CA PHE A 309 7.503 3.041 -5.928 1.00 0.24 C ATOM 904 C PHE A 309 8.699 2.094 -5.878 1.00 0.26 C ATOM 905 O PHE A 309 9.496 2.142 -4.940 1.00 0.30 O ATOM 906 CB PHE A 309 6.790 3.038 -4.573 1.00 0.28 C ATOM 907 CG PHE A 309 5.507 3.822 -4.554 1.00 0.26 C ATOM 908 CD1 PHE A 309 5.482 5.152 -4.943 1.00 0.29 C ATOM 909 CD2 PHE A 309 4.325 3.227 -4.146 1.00 0.31 C ATOM 910 CE1 PHE A 309 4.303 5.871 -4.925 1.00 0.33 C ATOM 911 CE2 PHE A 309 3.144 3.941 -4.124 1.00 0.33 C ATOM 912 CZ PHE A 309 3.134 5.266 -4.514 1.00 0.33 C ATOM 0 H PHE A 309 6.004 1.850 -6.794 1.00 0.22 H new ATOM 0 HA PHE A 309 7.876 4.041 -6.149 1.00 0.24 H new ATOM 0 HB2 PHE A 309 6.578 2.007 -4.288 1.00 0.28 H new ATOM 0 HB3 PHE A 309 7.464 3.445 -3.819 1.00 0.28 H new ATOM 0 HD1 PHE A 309 6.395 5.632 -5.264 1.00 0.29 H new ATOM 0 HD2 PHE A 309 4.327 2.191 -3.841 1.00 0.31 H new ATOM 0 HE1 PHE A 309 4.297 6.906 -5.233 1.00 0.33 H new ATOM 0 HE2 PHE A 309 2.230 3.465 -3.803 1.00 0.33 H new ATOM 0 HZ PHE A 309 2.212 5.828 -4.497 1.00 0.33 H new ATOM 922 N GLU A 310 8.840 1.257 -6.898 1.00 0.29 N ATOM 923 CA GLU A 310 9.937 0.293 -6.954 1.00 0.33 C ATOM 924 C GLU A 310 11.307 0.974 -6.947 1.00 0.35 C ATOM 925 O GLU A 310 12.273 0.425 -6.419 1.00 0.47 O ATOM 926 CB GLU A 310 9.810 -0.582 -8.198 1.00 0.40 C ATOM 927 CG GLU A 310 8.826 -1.724 -8.036 1.00 0.54 C ATOM 928 CD GLU A 310 8.685 -2.544 -9.301 1.00 0.67 C ATOM 929 OE1 GLU A 310 9.719 -2.853 -9.930 1.00 1.21 O ATOM 930 OE2 GLU A 310 7.547 -2.880 -9.679 1.00 1.04 O ATOM 0 H GLU A 310 8.209 1.224 -7.699 1.00 0.29 H new ATOM 0 HA GLU A 310 9.865 -0.324 -6.058 1.00 0.33 H new ATOM 0 HB2 GLU A 310 9.499 0.038 -9.039 1.00 0.40 H new ATOM 0 HB3 GLU A 310 10.790 -0.990 -8.447 1.00 0.40 H new ATOM 0 HG2 GLU A 310 9.153 -2.370 -7.221 1.00 0.54 H new ATOM 0 HG3 GLU A 310 7.852 -1.324 -7.754 1.00 0.54 H new ATOM 937 N ASN A 311 11.391 2.159 -7.535 1.00 0.35 N ATOM 938 CA ASN A 311 12.655 2.888 -7.592 1.00 0.41 C ATOM 939 C ASN A 311 12.597 4.149 -6.739 1.00 0.37 C ATOM 940 O ASN A 311 13.230 5.157 -7.053 1.00 0.48 O ATOM 941 CB ASN A 311 13.003 3.252 -9.037 1.00 0.54 C ATOM 942 CG ASN A 311 13.318 2.036 -9.888 1.00 0.89 C ATOM 943 OD1 ASN A 311 14.459 1.577 -9.944 1.00 1.27 O ATOM 944 ND2 ASN A 311 12.309 1.507 -10.563 1.00 1.32 N ATOM 0 H ASN A 311 10.605 2.636 -7.978 1.00 0.35 H new ATOM 0 HA ASN A 311 13.433 2.236 -7.195 1.00 0.41 H new ATOM 0 HB2 ASN A 311 12.169 3.795 -9.481 1.00 0.54 H new ATOM 0 HB3 ASN A 311 13.860 3.925 -9.041 1.00 0.54 H new ATOM 0 HD21 ASN A 311 12.464 0.691 -11.155 1.00 1.32 H new ATOM 0 HD22 ASN A 311 11.377 1.916 -10.491 1.00 1.32 H new ATOM 951 N MET A 312 11.838 4.087 -5.655 1.00 0.30 N ATOM 952 CA MET A 312 11.701 5.221 -4.754 1.00 0.28 C ATOM 953 C MET A 312 12.091 4.823 -3.339 1.00 0.26 C ATOM 954 O MET A 312 12.182 3.639 -3.023 1.00 0.34 O ATOM 955 CB MET A 312 10.269 5.759 -4.779 1.00 0.28 C ATOM 956 CG MET A 312 9.931 6.503 -6.059 1.00 0.39 C ATOM 957 SD MET A 312 8.183 6.933 -6.183 1.00 0.37 S ATOM 958 CE MET A 312 7.981 7.950 -4.722 1.00 0.51 C ATOM 0 H MET A 312 11.307 3.262 -5.378 1.00 0.30 H new ATOM 0 HA MET A 312 12.372 6.011 -5.092 1.00 0.28 H new ATOM 0 HB2 MET A 312 9.574 4.929 -4.655 1.00 0.28 H new ATOM 0 HB3 MET A 312 10.124 6.426 -3.929 1.00 0.28 H new ATOM 0 HG2 MET A 312 10.528 7.413 -6.112 1.00 0.39 H new ATOM 0 HG3 MET A 312 10.210 5.888 -6.915 1.00 0.39 H new ATOM 0 HE1 MET A 312 7.021 8.464 -4.767 1.00 0.51 H new ATOM 0 HE2 MET A 312 8.014 7.320 -3.833 1.00 0.51 H new ATOM 0 HE3 MET A 312 8.785 8.685 -4.676 1.00 0.51 H new ATOM 968 N SER A 313 12.334 5.816 -2.494 1.00 0.26 N ATOM 969 CA SER A 313 12.717 5.559 -1.114 1.00 0.28 C ATOM 970 C SER A 313 11.509 5.097 -0.308 1.00 0.24 C ATOM 971 O SER A 313 10.368 5.384 -0.674 1.00 0.26 O ATOM 972 CB SER A 313 13.324 6.821 -0.485 1.00 0.36 C ATOM 973 OG SER A 313 12.334 7.819 -0.271 1.00 0.97 O ATOM 0 H SER A 313 12.273 6.804 -2.740 1.00 0.26 H new ATOM 0 HA SER A 313 13.468 4.769 -1.103 1.00 0.28 H new ATOM 0 HB2 SER A 313 13.797 6.566 0.463 1.00 0.36 H new ATOM 0 HB3 SER A 313 14.105 7.214 -1.135 1.00 0.36 H new ATOM 0 HG SER A 313 12.465 8.552 -0.908 1.00 0.97 H new ATOM 979 N ASN A 314 11.764 4.384 0.787 1.00 0.26 N ATOM 980 CA ASN A 314 10.695 3.884 1.650 1.00 0.27 C ATOM 981 C ASN A 314 9.805 5.027 2.111 1.00 0.25 C ATOM 982 O ASN A 314 8.582 4.898 2.151 1.00 0.33 O ATOM 983 CB ASN A 314 11.272 3.169 2.876 1.00 0.35 C ATOM 984 CG ASN A 314 12.035 1.908 2.524 1.00 0.37 C ATOM 985 OD1 ASN A 314 11.727 1.225 1.549 1.00 0.45 O ATOM 986 ND2 ASN A 314 13.044 1.596 3.319 1.00 0.48 N ATOM 0 H ASN A 314 12.704 4.139 1.099 1.00 0.26 H new ATOM 0 HA ASN A 314 10.104 3.175 1.070 1.00 0.27 H new ATOM 0 HB2 ASN A 314 11.935 3.851 3.408 1.00 0.35 H new ATOM 0 HB3 ASN A 314 10.460 2.917 3.558 1.00 0.35 H new ATOM 0 HD21 ASN A 314 13.600 0.761 3.134 1.00 0.48 H new ATOM 0 HD22 ASN A 314 13.266 2.190 4.118 1.00 0.48 H new ATOM 993 N ASP A 315 10.431 6.148 2.440 1.00 0.26 N ATOM 994 CA ASP A 315 9.711 7.327 2.907 1.00 0.28 C ATOM 995 C ASP A 315 8.882 7.945 1.792 1.00 0.23 C ATOM 996 O ASP A 315 7.686 8.177 1.956 1.00 0.24 O ATOM 997 CB ASP A 315 10.682 8.369 3.464 1.00 0.37 C ATOM 998 CG ASP A 315 10.938 8.184 4.943 1.00 0.83 C ATOM 999 OD1 ASP A 315 10.050 8.526 5.746 1.00 1.36 O ATOM 1000 OD2 ASP A 315 12.032 7.704 5.308 1.00 1.40 O ATOM 0 H ASP A 315 11.443 6.267 2.392 1.00 0.26 H new ATOM 0 HA ASP A 315 9.038 7.005 3.702 1.00 0.28 H new ATOM 0 HB2 ASP A 315 11.627 8.307 2.924 1.00 0.37 H new ATOM 0 HB3 ASP A 315 10.280 9.367 3.289 1.00 0.37 H new ATOM 1005 N ASP A 316 9.518 8.195 0.653 1.00 0.23 N ATOM 1006 CA ASP A 316 8.836 8.805 -0.488 1.00 0.24 C ATOM 1007 C ASP A 316 7.686 7.941 -0.983 1.00 0.19 C ATOM 1008 O ASP A 316 6.646 8.460 -1.393 1.00 0.20 O ATOM 1009 CB ASP A 316 9.811 9.059 -1.634 1.00 0.32 C ATOM 1010 CG ASP A 316 10.650 10.296 -1.417 1.00 0.50 C ATOM 1011 OD1 ASP A 316 10.084 11.352 -1.064 1.00 0.69 O ATOM 1012 OD2 ASP A 316 11.884 10.219 -1.605 1.00 0.88 O ATOM 0 H ASP A 316 10.503 7.986 0.493 1.00 0.23 H new ATOM 0 HA ASP A 316 8.430 9.756 -0.144 1.00 0.24 H new ATOM 0 HB2 ASP A 316 10.466 8.195 -1.748 1.00 0.32 H new ATOM 0 HB3 ASP A 316 9.254 9.161 -2.565 1.00 0.32 H new ATOM 1017 N ALA A 317 7.879 6.628 -0.942 1.00 0.17 N ATOM 1018 CA ALA A 317 6.860 5.688 -1.383 1.00 0.16 C ATOM 1019 C ALA A 317 5.565 5.869 -0.599 1.00 0.14 C ATOM 1020 O ALA A 317 4.487 5.981 -1.182 1.00 0.17 O ATOM 1021 CB ALA A 317 7.370 4.263 -1.240 1.00 0.20 C ATOM 0 H ALA A 317 8.737 6.190 -0.606 1.00 0.17 H new ATOM 0 HA ALA A 317 6.645 5.887 -2.433 1.00 0.16 H new ATOM 0 HB1 ALA A 317 6.601 3.566 -1.572 1.00 0.20 H new ATOM 0 HB2 ALA A 317 8.264 4.134 -1.849 1.00 0.20 H new ATOM 0 HB3 ALA A 317 7.611 4.066 -0.195 1.00 0.20 H new ATOM 1027 N VAL A 318 5.672 5.923 0.724 1.00 0.12 N ATOM 1028 CA VAL A 318 4.496 6.085 1.567 1.00 0.12 C ATOM 1029 C VAL A 318 3.963 7.513 1.484 1.00 0.11 C ATOM 1030 O VAL A 318 2.757 7.736 1.591 1.00 0.14 O ATOM 1031 CB VAL A 318 4.774 5.717 3.037 1.00 0.15 C ATOM 1032 CG1 VAL A 318 3.471 5.569 3.806 1.00 0.18 C ATOM 1033 CG2 VAL A 318 5.594 4.443 3.115 1.00 0.21 C ATOM 0 H VAL A 318 6.554 5.857 1.232 1.00 0.12 H new ATOM 0 HA VAL A 318 3.742 5.395 1.189 1.00 0.12 H new ATOM 0 HB VAL A 318 5.348 6.523 3.495 1.00 0.15 H new ATOM 0 HG11 VAL A 318 3.688 5.309 4.842 1.00 0.18 H new ATOM 0 HG12 VAL A 318 2.921 6.510 3.775 1.00 0.18 H new ATOM 0 HG13 VAL A 318 2.868 4.782 3.353 1.00 0.18 H new ATOM 0 HG21 VAL A 318 5.783 4.195 4.160 1.00 0.21 H new ATOM 0 HG22 VAL A 318 5.046 3.628 2.642 1.00 0.21 H new ATOM 0 HG23 VAL A 318 6.543 4.589 2.600 1.00 0.21 H new ATOM 1043 N ARG A 319 4.866 8.476 1.286 1.00 0.12 N ATOM 1044 CA ARG A 319 4.474 9.879 1.168 1.00 0.16 C ATOM 1045 C ARG A 319 3.438 10.041 0.058 1.00 0.14 C ATOM 1046 O ARG A 319 2.412 10.696 0.244 1.00 0.22 O ATOM 1047 CB ARG A 319 5.690 10.769 0.881 1.00 0.21 C ATOM 1048 CG ARG A 319 6.575 11.014 2.095 1.00 0.35 C ATOM 1049 CD ARG A 319 7.820 11.808 1.728 1.00 0.40 C ATOM 1050 NE ARG A 319 8.769 11.883 2.837 1.00 0.50 N ATOM 1051 CZ ARG A 319 10.067 12.145 2.694 1.00 0.61 C ATOM 1052 NH1 ARG A 319 10.603 12.275 1.485 1.00 0.83 N ATOM 1053 NH2 ARG A 319 10.844 12.242 3.766 1.00 0.81 N ATOM 0 H ARG A 319 5.869 8.309 1.205 1.00 0.12 H new ATOM 0 HA ARG A 319 4.038 10.191 2.117 1.00 0.16 H new ATOM 0 HB2 ARG A 319 6.288 10.308 0.095 1.00 0.21 H new ATOM 0 HB3 ARG A 319 5.343 11.728 0.497 1.00 0.21 H new ATOM 0 HG2 ARG A 319 6.010 11.553 2.855 1.00 0.35 H new ATOM 0 HG3 ARG A 319 6.867 10.059 2.532 1.00 0.35 H new ATOM 0 HD2 ARG A 319 8.304 11.346 0.868 1.00 0.40 H new ATOM 0 HD3 ARG A 319 7.532 12.816 1.429 1.00 0.40 H new ATOM 0 HE ARG A 319 8.415 11.725 3.780 1.00 0.50 H new ATOM 0 HH11 ARG A 319 10.019 12.174 0.655 1.00 0.83 H new ATOM 0 HH12 ARG A 319 11.598 12.476 1.387 1.00 0.83 H new ATOM 0 HH21 ARG A 319 10.447 12.116 4.697 1.00 0.81 H new ATOM 0 HH22 ARG A 319 11.838 12.443 3.659 1.00 0.81 H new ATOM 1067 N VAL A 320 3.712 9.423 -1.087 1.00 0.10 N ATOM 1068 CA VAL A 320 2.800 9.484 -2.221 1.00 0.10 C ATOM 1069 C VAL A 320 1.576 8.613 -1.962 1.00 0.09 C ATOM 1070 O VAL A 320 0.457 8.979 -2.316 1.00 0.11 O ATOM 1071 CB VAL A 320 3.481 9.024 -3.528 1.00 0.14 C ATOM 1072 CG1 VAL A 320 2.542 9.180 -4.717 1.00 0.17 C ATOM 1073 CG2 VAL A 320 4.763 9.798 -3.762 1.00 0.17 C ATOM 0 H VAL A 320 4.557 8.876 -1.253 1.00 0.10 H new ATOM 0 HA VAL A 320 2.498 10.525 -2.337 1.00 0.10 H new ATOM 0 HB VAL A 320 3.727 7.967 -3.425 1.00 0.14 H new ATOM 0 HG11 VAL A 320 3.046 8.849 -5.625 1.00 0.17 H new ATOM 0 HG12 VAL A 320 1.649 8.576 -4.557 1.00 0.17 H new ATOM 0 HG13 VAL A 320 2.258 10.227 -4.821 1.00 0.17 H new ATOM 0 HG21 VAL A 320 5.228 9.460 -4.688 1.00 0.17 H new ATOM 0 HG22 VAL A 320 4.537 10.862 -3.837 1.00 0.17 H new ATOM 0 HG23 VAL A 320 5.447 9.630 -2.930 1.00 0.17 H new ATOM 1083 N LEU A 321 1.800 7.458 -1.334 1.00 0.08 N ATOM 1084 CA LEU A 321 0.717 6.535 -1.011 1.00 0.09 C ATOM 1085 C LEU A 321 -0.368 7.242 -0.213 1.00 0.09 C ATOM 1086 O LEU A 321 -1.546 7.186 -0.563 1.00 0.10 O ATOM 1087 CB LEU A 321 1.246 5.342 -0.204 1.00 0.11 C ATOM 1088 CG LEU A 321 0.217 4.254 0.116 1.00 0.20 C ATOM 1089 CD1 LEU A 321 -0.421 3.727 -1.157 1.00 0.38 C ATOM 1090 CD2 LEU A 321 0.876 3.121 0.886 1.00 0.29 C ATOM 0 H LEU A 321 2.724 7.141 -1.040 1.00 0.08 H new ATOM 0 HA LEU A 321 0.295 6.173 -1.948 1.00 0.09 H new ATOM 0 HB2 LEU A 321 2.069 4.888 -0.756 1.00 0.11 H new ATOM 0 HB3 LEU A 321 1.659 5.714 0.734 1.00 0.11 H new ATOM 0 HG LEU A 321 -0.567 4.691 0.735 1.00 0.20 H new ATOM 0 HD11 LEU A 321 -1.149 2.955 -0.907 1.00 0.38 H new ATOM 0 HD12 LEU A 321 -0.922 4.543 -1.678 1.00 0.38 H new ATOM 0 HD13 LEU A 321 0.349 3.304 -1.802 1.00 0.38 H new ATOM 0 HD21 LEU A 321 0.135 2.353 1.108 1.00 0.29 H new ATOM 0 HD22 LEU A 321 1.676 2.690 0.285 1.00 0.29 H new ATOM 0 HD23 LEU A 321 1.290 3.507 1.818 1.00 0.29 H new ATOM 1102 N ARG A 322 0.045 7.927 0.847 1.00 0.10 N ATOM 1103 CA ARG A 322 -0.883 8.646 1.705 1.00 0.12 C ATOM 1104 C ARG A 322 -1.619 9.731 0.922 1.00 0.13 C ATOM 1105 O ARG A 322 -2.803 9.976 1.151 1.00 0.21 O ATOM 1106 CB ARG A 322 -0.147 9.248 2.903 1.00 0.15 C ATOM 1107 CG ARG A 322 0.588 8.213 3.747 1.00 0.19 C ATOM 1108 CD ARG A 322 0.896 8.736 5.143 1.00 0.34 C ATOM 1109 NE ARG A 322 -0.307 8.809 5.972 1.00 0.49 N ATOM 1110 CZ ARG A 322 -0.801 9.939 6.478 1.00 1.05 C ATOM 1111 NH1 ARG A 322 -0.166 11.096 6.295 1.00 1.57 N ATOM 1112 NH2 ARG A 322 -1.922 9.914 7.182 1.00 1.28 N ATOM 0 H ARG A 322 1.022 7.998 1.132 1.00 0.10 H new ATOM 0 HA ARG A 322 -1.624 7.938 2.076 1.00 0.12 H new ATOM 0 HB2 ARG A 322 0.569 9.988 2.545 1.00 0.15 H new ATOM 0 HB3 ARG A 322 -0.864 9.776 3.532 1.00 0.15 H new ATOM 0 HG2 ARG A 322 -0.017 7.310 3.823 1.00 0.19 H new ATOM 0 HG3 ARG A 322 1.517 7.933 3.251 1.00 0.19 H new ATOM 0 HD2 ARG A 322 1.629 8.086 5.621 1.00 0.34 H new ATOM 0 HD3 ARG A 322 1.348 9.725 5.069 1.00 0.34 H new ATOM 0 HE ARG A 322 -0.799 7.939 6.176 1.00 0.49 H new ATOM 0 HH11 ARG A 322 0.705 11.121 5.764 1.00 1.57 H new ATOM 0 HH12 ARG A 322 -0.551 11.956 6.685 1.00 1.57 H new ATOM 0 HH21 ARG A 322 -2.407 9.030 7.337 1.00 1.28 H new ATOM 0 HH22 ARG A 322 -2.300 10.778 7.569 1.00 1.28 H new ATOM 1126 N GLU A 323 -0.917 10.366 -0.010 1.00 0.12 N ATOM 1127 CA GLU A 323 -1.514 11.405 -0.839 1.00 0.15 C ATOM 1128 C GLU A 323 -2.668 10.828 -1.647 1.00 0.14 C ATOM 1129 O GLU A 323 -3.758 11.396 -1.694 1.00 0.21 O ATOM 1130 CB GLU A 323 -0.466 11.998 -1.783 1.00 0.20 C ATOM 1131 CG GLU A 323 0.512 12.933 -1.101 1.00 0.62 C ATOM 1132 CD GLU A 323 0.051 14.372 -1.123 1.00 1.27 C ATOM 1133 OE1 GLU A 323 -0.671 14.787 -0.194 1.00 1.87 O ATOM 1134 OE2 GLU A 323 0.414 15.098 -2.071 1.00 1.76 O ATOM 0 H GLU A 323 0.066 10.179 -0.210 1.00 0.12 H new ATOM 0 HA GLU A 323 -1.892 12.195 -0.190 1.00 0.15 H new ATOM 0 HB2 GLU A 323 0.089 11.185 -2.251 1.00 0.20 H new ATOM 0 HB3 GLU A 323 -0.974 12.538 -2.582 1.00 0.20 H new ATOM 0 HG2 GLU A 323 0.652 12.616 -0.068 1.00 0.62 H new ATOM 0 HG3 GLU A 323 1.483 12.859 -1.591 1.00 0.62 H new ATOM 1141 N ILE A 324 -2.425 9.677 -2.259 1.00 0.12 N ATOM 1142 CA ILE A 324 -3.437 9.003 -3.067 1.00 0.14 C ATOM 1143 C ILE A 324 -4.610 8.551 -2.203 1.00 0.14 C ATOM 1144 O ILE A 324 -5.767 8.703 -2.584 1.00 0.18 O ATOM 1145 CB ILE A 324 -2.846 7.787 -3.812 1.00 0.18 C ATOM 1146 CG1 ILE A 324 -1.663 8.226 -4.675 1.00 0.21 C ATOM 1147 CG2 ILE A 324 -3.911 7.114 -4.670 1.00 0.23 C ATOM 1148 CD1 ILE A 324 -0.795 7.079 -5.146 1.00 0.29 C ATOM 0 H ILE A 324 -1.532 9.187 -2.212 1.00 0.12 H new ATOM 0 HA ILE A 324 -3.792 9.723 -3.804 1.00 0.14 H new ATOM 0 HB ILE A 324 -2.495 7.064 -3.076 1.00 0.18 H new ATOM 0 HG12 ILE A 324 -2.039 8.766 -5.544 1.00 0.21 H new ATOM 0 HG13 ILE A 324 -1.049 8.925 -4.106 1.00 0.21 H new ATOM 0 HG21 ILE A 324 -3.475 6.259 -5.187 1.00 0.23 H new ATOM 0 HG22 ILE A 324 -4.729 6.775 -4.035 1.00 0.23 H new ATOM 0 HG23 ILE A 324 -4.291 7.826 -5.403 1.00 0.23 H new ATOM 0 HD11 ILE A 324 0.023 7.467 -5.752 1.00 0.29 H new ATOM 0 HD12 ILE A 324 -0.389 6.552 -4.283 1.00 0.29 H new ATOM 0 HD13 ILE A 324 -1.394 6.391 -5.743 1.00 0.29 H new ATOM 1160 N VAL A 325 -4.306 8.020 -1.021 1.00 0.11 N ATOM 1161 CA VAL A 325 -5.345 7.551 -0.103 1.00 0.13 C ATOM 1162 C VAL A 325 -6.208 8.721 0.399 1.00 0.16 C ATOM 1163 O VAL A 325 -7.308 8.528 0.915 1.00 0.24 O ATOM 1164 CB VAL A 325 -4.733 6.763 1.090 1.00 0.15 C ATOM 1165 CG1 VAL A 325 -5.812 6.279 2.049 1.00 0.19 C ATOM 1166 CG2 VAL A 325 -3.920 5.587 0.578 1.00 0.16 C ATOM 0 H VAL A 325 -3.353 7.903 -0.676 1.00 0.11 H new ATOM 0 HA VAL A 325 -5.989 6.868 -0.657 1.00 0.13 H new ATOM 0 HB VAL A 325 -4.078 7.440 1.638 1.00 0.15 H new ATOM 0 HG11 VAL A 325 -5.350 5.732 2.871 1.00 0.19 H new ATOM 0 HG12 VAL A 325 -6.358 7.135 2.445 1.00 0.19 H new ATOM 0 HG13 VAL A 325 -6.502 5.622 1.519 1.00 0.19 H new ATOM 0 HG21 VAL A 325 -3.496 5.043 1.422 1.00 0.16 H new ATOM 0 HG22 VAL A 325 -4.565 4.922 0.004 1.00 0.16 H new ATOM 0 HG23 VAL A 325 -3.115 5.952 -0.060 1.00 0.16 H new ATOM 1176 N SER A 326 -5.714 9.941 0.219 1.00 0.19 N ATOM 1177 CA SER A 326 -6.446 11.130 0.633 1.00 0.24 C ATOM 1178 C SER A 326 -7.345 11.638 -0.496 1.00 0.27 C ATOM 1179 O SER A 326 -8.060 12.628 -0.335 1.00 0.44 O ATOM 1180 CB SER A 326 -5.471 12.228 1.063 1.00 0.32 C ATOM 1181 OG SER A 326 -4.574 11.759 2.057 1.00 0.37 O ATOM 0 H SER A 326 -4.809 10.131 -0.211 1.00 0.19 H new ATOM 0 HA SER A 326 -7.077 10.863 1.480 1.00 0.24 H new ATOM 0 HB2 SER A 326 -4.908 12.577 0.197 1.00 0.32 H new ATOM 0 HB3 SER A 326 -6.028 13.083 1.447 1.00 0.32 H new ATOM 0 HG SER A 326 -3.852 11.251 1.632 1.00 0.37 H new ATOM 1187 N GLN A 327 -7.326 10.941 -1.627 1.00 0.27 N ATOM 1188 CA GLN A 327 -8.130 11.331 -2.775 1.00 0.32 C ATOM 1189 C GLN A 327 -9.356 10.432 -2.896 1.00 0.34 C ATOM 1190 O GLN A 327 -9.311 9.253 -2.547 1.00 0.53 O ATOM 1191 CB GLN A 327 -7.299 11.263 -4.056 1.00 0.41 C ATOM 1192 CG GLN A 327 -7.126 12.612 -4.742 1.00 0.63 C ATOM 1193 CD GLN A 327 -6.297 13.599 -3.940 1.00 0.75 C ATOM 1194 OE1 GLN A 327 -5.349 13.099 -3.171 1.00 1.16 O flip ATOM 1195 NE2 GLN A 327 -6.505 14.809 -4.016 1.00 0.94 N flip ATOM 0 H GLN A 327 -6.762 10.103 -1.771 1.00 0.27 H new ATOM 0 HA GLN A 327 -8.463 12.358 -2.629 1.00 0.32 H new ATOM 0 HB2 GLN A 327 -6.316 10.856 -3.820 1.00 0.41 H new ATOM 0 HB3 GLN A 327 -7.773 10.570 -4.751 1.00 0.41 H new ATOM 0 HG2 GLN A 327 -6.655 12.459 -5.713 1.00 0.63 H new ATOM 0 HG3 GLN A 327 -8.109 13.044 -4.929 1.00 0.63 H new ATOM 0 HE21 GLN A 327 -7.247 15.162 -4.621 1.00 0.94 H new ATOM 0 HE22 GLN A 327 -5.936 15.459 -3.474 1.00 0.94 H new ATOM 1204 N THR A 328 -10.452 10.989 -3.387 1.00 0.42 N ATOM 1205 CA THR A 328 -11.682 10.232 -3.546 1.00 0.49 C ATOM 1206 C THR A 328 -11.735 9.547 -4.910 1.00 0.51 C ATOM 1207 O THR A 328 -11.974 10.195 -5.933 1.00 0.84 O ATOM 1208 CB THR A 328 -12.907 11.146 -3.384 1.00 0.66 C ATOM 1209 OG1 THR A 328 -12.482 12.463 -3.003 1.00 0.88 O ATOM 1210 CG2 THR A 328 -13.855 10.591 -2.334 1.00 0.89 C ATOM 0 H THR A 328 -10.514 11.963 -3.682 1.00 0.42 H new ATOM 0 HA THR A 328 -11.699 9.468 -2.769 1.00 0.49 H new ATOM 0 HB THR A 328 -13.433 11.193 -4.338 1.00 0.66 H new ATOM 0 HG1 THR A 328 -13.265 13.043 -2.902 1.00 0.88 H new ATOM 0 HG21 THR A 328 -14.715 11.253 -2.235 1.00 0.89 H new ATOM 0 HG22 THR A 328 -14.193 9.600 -2.636 1.00 0.89 H new ATOM 0 HG23 THR A 328 -13.338 10.522 -1.377 1.00 0.89 H new ATOM 1218 N GLY A 329 -11.494 8.243 -4.925 1.00 0.45 N ATOM 1219 CA GLY A 329 -11.529 7.500 -6.167 1.00 0.44 C ATOM 1220 C GLY A 329 -11.152 6.048 -5.971 1.00 0.39 C ATOM 1221 O GLY A 329 -10.956 5.611 -4.838 1.00 0.43 O ATOM 0 H GLY A 329 -11.275 7.687 -4.098 1.00 0.45 H new ATOM 0 HA2 GLY A 329 -12.529 7.560 -6.597 1.00 0.44 H new ATOM 0 HA3 GLY A 329 -10.846 7.958 -6.883 1.00 0.44 H new ATOM 1225 N PRO A 330 -11.054 5.271 -7.061 1.00 0.40 N ATOM 1226 CA PRO A 330 -10.691 3.858 -7.001 1.00 0.39 C ATOM 1227 C PRO A 330 -9.182 3.658 -6.845 1.00 0.36 C ATOM 1228 O PRO A 330 -8.404 3.963 -7.753 1.00 0.56 O ATOM 1229 CB PRO A 330 -11.167 3.299 -8.353 1.00 0.47 C ATOM 1230 CG PRO A 330 -11.791 4.442 -9.094 1.00 0.58 C ATOM 1231 CD PRO A 330 -11.296 5.701 -8.441 1.00 0.52 C ATOM 0 HA PRO A 330 -11.141 3.360 -6.142 1.00 0.39 H new ATOM 0 HB2 PRO A 330 -10.331 2.883 -8.916 1.00 0.47 H new ATOM 0 HB3 PRO A 330 -11.886 2.493 -8.207 1.00 0.47 H new ATOM 0 HG2 PRO A 330 -11.514 4.418 -10.148 1.00 0.58 H new ATOM 0 HG3 PRO A 330 -12.879 4.385 -9.049 1.00 0.58 H new ATOM 0 HD2 PRO A 330 -10.388 6.073 -8.915 1.00 0.52 H new ATOM 0 HD3 PRO A 330 -12.034 6.502 -8.493 1.00 0.52 H new ATOM 1239 N ILE A 331 -8.772 3.157 -5.688 1.00 0.27 N ATOM 1240 CA ILE A 331 -7.364 2.917 -5.422 1.00 0.25 C ATOM 1241 C ILE A 331 -6.944 1.555 -5.969 1.00 0.25 C ATOM 1242 O ILE A 331 -7.511 0.522 -5.602 1.00 0.30 O ATOM 1243 CB ILE A 331 -7.045 3.003 -3.912 1.00 0.29 C ATOM 1244 CG1 ILE A 331 -7.456 4.374 -3.362 1.00 0.31 C ATOM 1245 CG2 ILE A 331 -5.563 2.753 -3.664 1.00 0.37 C ATOM 1246 CD1 ILE A 331 -7.160 4.553 -1.888 1.00 0.35 C ATOM 0 H ILE A 331 -9.396 2.909 -4.920 1.00 0.27 H new ATOM 0 HA ILE A 331 -6.797 3.698 -5.929 1.00 0.25 H new ATOM 0 HB ILE A 331 -7.614 2.233 -3.392 1.00 0.29 H new ATOM 0 HG12 ILE A 331 -6.938 5.151 -3.924 1.00 0.31 H new ATOM 0 HG13 ILE A 331 -8.524 4.517 -3.529 1.00 0.31 H new ATOM 0 HG21 ILE A 331 -5.357 2.818 -2.596 1.00 0.37 H new ATOM 0 HG22 ILE A 331 -5.296 1.760 -4.026 1.00 0.37 H new ATOM 0 HG23 ILE A 331 -4.974 3.502 -4.193 1.00 0.37 H new ATOM 0 HD11 ILE A 331 -7.478 5.546 -1.571 1.00 0.35 H new ATOM 0 HD12 ILE A 331 -7.699 3.799 -1.314 1.00 0.35 H new ATOM 0 HD13 ILE A 331 -6.089 4.443 -1.716 1.00 0.35 H new ATOM 1258 N SER A 332 -5.960 1.566 -6.857 1.00 0.28 N ATOM 1259 CA SER A 332 -5.459 0.345 -7.464 1.00 0.31 C ATOM 1260 C SER A 332 -4.130 -0.052 -6.831 1.00 0.27 C ATOM 1261 O SER A 332 -3.084 0.533 -7.126 1.00 0.31 O ATOM 1262 CB SER A 332 -5.298 0.541 -8.972 1.00 0.41 C ATOM 1263 OG SER A 332 -6.008 1.689 -9.407 1.00 1.09 O ATOM 0 H SER A 332 -5.491 2.415 -7.174 1.00 0.28 H new ATOM 0 HA SER A 332 -6.175 -0.458 -7.290 1.00 0.31 H new ATOM 0 HB2 SER A 332 -4.242 0.645 -9.219 1.00 0.41 H new ATOM 0 HB3 SER A 332 -5.663 -0.340 -9.499 1.00 0.41 H new ATOM 0 HG SER A 332 -5.892 1.799 -10.374 1.00 1.09 H new ATOM 1269 N LEU A 333 -4.177 -1.046 -5.959 1.00 0.27 N ATOM 1270 CA LEU A 333 -2.989 -1.514 -5.271 1.00 0.26 C ATOM 1271 C LEU A 333 -2.350 -2.683 -6.008 1.00 0.26 C ATOM 1272 O LEU A 333 -2.922 -3.771 -6.085 1.00 0.30 O ATOM 1273 CB LEU A 333 -3.324 -1.927 -3.835 1.00 0.29 C ATOM 1274 CG LEU A 333 -3.821 -0.802 -2.922 1.00 0.27 C ATOM 1275 CD1 LEU A 333 -4.208 -1.355 -1.563 1.00 0.48 C ATOM 1276 CD2 LEU A 333 -2.759 0.274 -2.771 1.00 0.39 C ATOM 0 H LEU A 333 -5.031 -1.546 -5.711 1.00 0.27 H new ATOM 0 HA LEU A 333 -2.276 -0.690 -5.247 1.00 0.26 H new ATOM 0 HB2 LEU A 333 -4.085 -2.707 -3.868 1.00 0.29 H new ATOM 0 HB3 LEU A 333 -2.434 -2.369 -3.386 1.00 0.29 H new ATOM 0 HG LEU A 333 -4.703 -0.354 -3.380 1.00 0.27 H new ATOM 0 HD11 LEU A 333 -4.559 -0.543 -0.926 1.00 0.48 H new ATOM 0 HD12 LEU A 333 -5.003 -2.092 -1.683 1.00 0.48 H new ATOM 0 HD13 LEU A 333 -3.341 -1.828 -1.102 1.00 0.48 H new ATOM 0 HD21 LEU A 333 -3.132 1.064 -2.119 1.00 0.39 H new ATOM 0 HD22 LEU A 333 -1.859 -0.161 -2.336 1.00 0.39 H new ATOM 0 HD23 LEU A 333 -2.523 0.692 -3.750 1.00 0.39 H new ATOM 1288 N THR A 334 -1.175 -2.445 -6.565 1.00 0.24 N ATOM 1289 CA THR A 334 -0.434 -3.474 -7.269 1.00 0.26 C ATOM 1290 C THR A 334 0.595 -4.076 -6.317 1.00 0.26 C ATOM 1291 O THR A 334 1.672 -3.510 -6.108 1.00 0.28 O ATOM 1292 CB THR A 334 0.270 -2.895 -8.510 1.00 0.31 C ATOM 1293 OG1 THR A 334 -0.551 -1.880 -9.102 1.00 0.50 O ATOM 1294 CG2 THR A 334 0.551 -3.984 -9.530 1.00 0.42 C ATOM 0 H THR A 334 -0.711 -1.537 -6.542 1.00 0.24 H new ATOM 0 HA THR A 334 -1.126 -4.245 -7.607 1.00 0.26 H new ATOM 0 HB THR A 334 1.220 -2.462 -8.197 1.00 0.31 H new ATOM 0 HG1 THR A 334 -0.471 -1.051 -8.585 1.00 0.50 H new ATOM 0 HG21 THR A 334 1.049 -3.550 -10.397 1.00 0.42 H new ATOM 0 HG22 THR A 334 1.194 -4.743 -9.084 1.00 0.42 H new ATOM 0 HG23 THR A 334 -0.388 -4.442 -9.841 1.00 0.42 H new ATOM 1302 N VAL A 335 0.247 -5.204 -5.720 1.00 0.26 N ATOM 1303 CA VAL A 335 1.120 -5.855 -4.759 1.00 0.28 C ATOM 1304 C VAL A 335 1.875 -7.028 -5.369 1.00 0.28 C ATOM 1305 O VAL A 335 1.429 -7.638 -6.344 1.00 0.32 O ATOM 1306 CB VAL A 335 0.329 -6.349 -3.527 1.00 0.30 C ATOM 1307 CG1 VAL A 335 -0.389 -5.193 -2.854 1.00 0.33 C ATOM 1308 CG2 VAL A 335 -0.657 -7.444 -3.914 1.00 0.31 C ATOM 0 H VAL A 335 -0.636 -5.688 -5.885 1.00 0.26 H new ATOM 0 HA VAL A 335 1.844 -5.102 -4.448 1.00 0.28 H new ATOM 0 HB VAL A 335 1.039 -6.772 -2.817 1.00 0.30 H new ATOM 0 HG11 VAL A 335 -0.940 -5.561 -1.989 1.00 0.33 H new ATOM 0 HG12 VAL A 335 0.340 -4.451 -2.530 1.00 0.33 H new ATOM 0 HG13 VAL A 335 -1.083 -4.736 -3.559 1.00 0.33 H new ATOM 0 HG21 VAL A 335 -1.200 -7.774 -3.029 1.00 0.31 H new ATOM 0 HG22 VAL A 335 -1.362 -7.056 -4.649 1.00 0.31 H new ATOM 0 HG23 VAL A 335 -0.115 -8.287 -4.342 1.00 0.31 H new ATOM 1318 N ALA A 336 3.024 -7.322 -4.785 1.00 0.28 N ATOM 1319 CA ALA A 336 3.857 -8.425 -5.222 1.00 0.31 C ATOM 1320 C ALA A 336 3.863 -9.509 -4.159 1.00 0.33 C ATOM 1321 O ALA A 336 4.410 -9.320 -3.070 1.00 0.38 O ATOM 1322 CB ALA A 336 5.275 -7.952 -5.502 1.00 0.34 C ATOM 0 H ALA A 336 3.404 -6.802 -3.994 1.00 0.28 H new ATOM 0 HA ALA A 336 3.448 -8.830 -6.147 1.00 0.31 H new ATOM 0 HB1 ALA A 336 5.882 -8.796 -5.828 1.00 0.34 H new ATOM 0 HB2 ALA A 336 5.258 -7.193 -6.284 1.00 0.34 H new ATOM 0 HB3 ALA A 336 5.703 -7.527 -4.594 1.00 0.34 H new ATOM 1328 N LYS A 337 3.239 -10.627 -4.470 1.00 0.36 N ATOM 1329 CA LYS A 337 3.160 -11.745 -3.545 1.00 0.40 C ATOM 1330 C LYS A 337 4.062 -12.879 -4.015 1.00 0.47 C ATOM 1331 O LYS A 337 3.677 -13.576 -4.974 1.00 0.60 O ATOM 1332 CB LYS A 337 1.713 -12.238 -3.434 1.00 0.41 C ATOM 1333 CG LYS A 337 0.717 -11.144 -3.076 1.00 0.37 C ATOM 1334 CD LYS A 337 -0.712 -11.672 -3.042 1.00 0.41 C ATOM 1335 CE LYS A 337 -0.933 -12.627 -1.880 1.00 0.39 C ATOM 1336 NZ LYS A 337 -1.155 -11.912 -0.597 1.00 0.38 N ATOM 1337 OXT LYS A 337 5.157 -13.059 -3.436 1.00 0.70 O ATOM 0 H LYS A 337 2.775 -10.788 -5.364 1.00 0.36 H new ATOM 0 HA LYS A 337 3.495 -11.411 -2.563 1.00 0.40 H new ATOM 0 HB2 LYS A 337 1.419 -12.688 -4.382 1.00 0.41 H new ATOM 0 HB3 LYS A 337 1.663 -13.023 -2.679 1.00 0.41 H new ATOM 0 HG2 LYS A 337 0.973 -10.723 -2.104 1.00 0.37 H new ATOM 0 HG3 LYS A 337 0.789 -10.335 -3.803 1.00 0.37 H new ATOM 0 HD2 LYS A 337 -1.407 -10.836 -2.963 1.00 0.41 H new ATOM 0 HD3 LYS A 337 -0.933 -12.182 -3.979 1.00 0.41 H new ATOM 0 HE2 LYS A 337 -1.793 -13.262 -2.093 1.00 0.39 H new ATOM 0 HE3 LYS A 337 -0.068 -13.283 -1.783 1.00 0.39 H new ATOM 0 HZ1 LYS A 337 -0.982 -12.561 0.197 1.00 0.38 H new ATOM 0 HZ2 LYS A 337 -0.503 -11.104 -0.532 1.00 0.38 H new ATOM 0 HZ3 LYS A 337 -2.136 -11.569 -0.556 1.00 0.38 H new TER 1351 LYS A 337 HETATM 1352 C1 PHQ B 1 2.039 4.317 7.636 1.00 0.19 C HETATM 1353 O1 PHQ B 1 1.989 3.097 7.800 1.00 0.22 O HETATM 1354 O2 PHQ B 1 3.359 4.991 7.282 1.00 0.26 O HETATM 1355 C2 PHQ B 1 4.509 3.992 7.388 1.00 0.31 C HETATM 1356 C3 PHQ B 1 5.842 4.526 6.925 1.00 0.38 C HETATM 1357 C4 PHQ B 1 6.929 3.651 6.762 1.00 1.30 C HETATM 1358 C5 PHQ B 1 8.093 4.095 6.118 1.00 1.42 C HETATM 1359 C6 PHQ B 1 8.227 5.451 5.772 1.00 0.84 C HETATM 1360 C7 PHQ B 1 7.179 6.352 6.044 1.00 1.38 C HETATM 1361 C8 PHQ B 1 6.002 5.892 6.656 1.00 1.29 C HETATM 0 H81 PHQ B 1 5.214 6.596 6.922 1.00 1.29 H new HETATM 0 H71 PHQ B 1 7.282 7.405 5.780 1.00 1.38 H new HETATM 0 H61 PHQ B 1 9.141 5.805 5.294 1.00 0.84 H new HETATM 0 H51 PHQ B 1 8.892 3.390 5.886 1.00 1.42 H new HETATM 0 H41 PHQ B 1 6.868 2.629 7.135 1.00 1.30 H new HETATM 0 H22 PHQ B 1 4.600 3.670 8.425 1.00 0.31 H new HETATM 0 H21 PHQ B 1 4.262 3.108 6.801 1.00 0.31 H new ATOM 1369 N TRP B 2 0.938 5.043 7.771 1.00 0.14 N ATOM 1370 CA TRP B 2 -0.345 4.438 8.110 1.00 0.13 C ATOM 1371 C TRP B 2 -1.462 5.059 7.287 1.00 0.14 C ATOM 1372 O TRP B 2 -1.591 6.286 7.227 1.00 0.23 O ATOM 1373 CB TRP B 2 -0.642 4.621 9.603 1.00 0.19 C ATOM 1374 CG TRP B 2 -0.105 3.521 10.464 1.00 0.21 C ATOM 1375 CD1 TRP B 2 1.191 3.346 10.858 1.00 0.30 C ATOM 1376 CD2 TRP B 2 -0.851 2.449 11.046 1.00 0.24 C ATOM 1377 NE1 TRP B 2 1.297 2.223 11.639 1.00 0.32 N ATOM 1378 CE2 TRP B 2 0.056 1.658 11.774 1.00 0.28 C ATOM 1379 CE3 TRP B 2 -2.200 2.078 11.023 1.00 0.32 C ATOM 1380 CZ2 TRP B 2 -0.341 0.520 12.467 1.00 0.33 C ATOM 1381 CZ3 TRP B 2 -2.592 0.950 11.718 1.00 0.40 C ATOM 1382 CH2 TRP B 2 -1.666 0.183 12.430 1.00 0.39 C ATOM 0 HA TRP B 2 -0.290 3.373 7.884 1.00 0.13 H new ATOM 0 HB2 TRP B 2 -0.219 5.569 9.935 1.00 0.19 H new ATOM 0 HB3 TRP B 2 -1.721 4.687 9.744 1.00 0.19 H new ATOM 0 HD1 TRP B 2 2.012 3.996 10.594 1.00 0.30 H new ATOM 0 HE1 TRP B 2 2.159 1.867 12.052 1.00 0.32 H new ATOM 0 HE3 TRP B 2 -2.922 2.663 10.472 1.00 0.32 H new ATOM 0 HZ2 TRP B 2 0.372 -0.077 13.016 1.00 0.33 H new ATOM 0 HZ3 TRP B 2 -3.631 0.656 11.711 1.00 0.40 H new ATOM 0 HH2 TRP B 2 -2.004 -0.694 12.962 1.00 0.39 H new ATOM 1393 N VAL B 3 -2.242 4.210 6.628 1.00 0.09 N ATOM 1394 CA VAL B 3 -3.371 4.662 5.826 1.00 0.11 C ATOM 1395 C VAL B 3 -4.435 3.583 5.783 1.00 0.14 C ATOM 1396 O VAL B 3 -5.631 3.916 5.887 1.00 0.24 O ATOM 1397 CB VAL B 3 -2.989 5.056 4.378 1.00 0.14 C ATOM 1398 CG1 VAL B 3 -2.664 6.536 4.298 1.00 0.21 C ATOM 1399 CG2 VAL B 3 -1.829 4.224 3.840 1.00 0.11 C ATOM 1400 OXT VAL B 3 -4.069 2.401 5.678 1.00 0.27 O ATOM 0 H VAL B 3 -2.111 3.198 6.634 1.00 0.09 H new ATOM 0 HA VAL B 3 -3.746 5.563 6.311 1.00 0.11 H new ATOM 0 HB VAL B 3 -3.854 4.847 3.748 1.00 0.14 H new ATOM 0 HG11 VAL B 3 -2.398 6.795 3.273 1.00 0.21 H new ATOM 0 HG12 VAL B 3 -3.534 7.117 4.605 1.00 0.21 H new ATOM 0 HG13 VAL B 3 -1.826 6.761 4.958 1.00 0.21 H new ATOM 0 HG21 VAL B 3 -1.598 4.537 2.822 1.00 0.11 H new ATOM 0 HG22 VAL B 3 -0.953 4.370 4.472 1.00 0.11 H new ATOM 0 HG23 VAL B 3 -2.106 3.170 3.841 1.00 0.11 H new TER 1410 VAL B 3