USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 265 SER OG : rot -99:sc= 1.45 USER MOD Set 1.2: A 282 SER OG : rot 50:sc= 1.18 USER MOD Single : A 248 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 251 THR OG1 : rot 180:sc= 0 USER MOD Single : A 253 THR OG1 : rot 180:sc= 0 USER MOD Single : A 255 ASN : amide:sc= -0.207 K(o=-0.21,f=-8.9!) USER MOD Single : A 256 MET CE :methyl -164:sc= -0.0295 (180deg=-0.325) USER MOD Single : A 259 HIS :FLIP no HE2:sc= 0.124 F(o=-0.55,f=0.12) USER MOD Single : A 260 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 269 GLN : amide:sc= -0.388 X(o=-0.39,f=0) USER MOD Single : A 279 TYR OH : rot -110:sc= 0.134 USER MOD Single : A 284 MET CE :methyl 153:sc= -0.139 (180deg=-0.779) USER MOD Single : A 285 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0333) USER MOD Single : A 300 MET CE :methyl 147:sc= -0.0618 (180deg=-0.566) USER MOD Single : A 303 GLN : amide:sc= -0.253 K(o=-0.25,f=-3.3!) USER MOD Single : A 305 ASN : amide:sc= -0.413 K(o=-0.41,f=-9!) USER MOD Single : A 308 ASN : amide:sc= 0.455 K(o=0.45,f=-4.8!) USER MOD Single : A 311 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 312 MET CE :methyl 161:sc= -0.198 (180deg=-0.492) USER MOD Single : A 313 SER OG : rot 135:sc= 1.34 USER MOD Single : A 314 ASN : amide:sc= 0.504 X(o=0.5,f=0.16) USER MOD Single : A 326 SER OG : rot 96:sc= 1.31 USER MOD Single : A 327 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.11) USER MOD Single : A 328 THR OG1 : rot 47:sc= 0.061 USER MOD Single : A 332 SER OG : rot 180:sc= 0.0344 USER MOD Single : A 334 THR OG1 : rot 76:sc= 0.0616 USER MOD Single : A 337 LYS NZ :NH3+ 158:sc= 1.21 (180deg=-0.0421!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 248 3.648 -13.959 -7.211 1.00 0.52 N ATOM 2 CA ASN A 248 2.436 -13.605 -7.982 1.00 0.49 C ATOM 3 C ASN A 248 2.012 -12.175 -7.678 1.00 0.44 C ATOM 4 O ASN A 248 1.730 -11.831 -6.530 1.00 0.47 O ATOM 5 CB ASN A 248 1.293 -14.568 -7.650 1.00 0.57 C ATOM 6 CG ASN A 248 0.090 -14.380 -8.556 1.00 0.70 C ATOM 7 OD1 ASN A 248 0.209 -13.875 -9.672 1.00 0.99 O ATOM 8 ND2 ASN A 248 -1.075 -14.795 -8.085 1.00 1.26 N ATOM 0 HA ASN A 248 2.669 -13.686 -9.044 1.00 0.49 H new ATOM 0 HB2 ASN A 248 1.651 -15.594 -7.736 1.00 0.57 H new ATOM 0 HB3 ASN A 248 0.989 -14.422 -6.614 1.00 0.57 H new ATOM 0 HD21 ASN A 248 -1.917 -14.702 -8.653 1.00 1.26 H new ATOM 0 HD22 ASN A 248 -1.131 -15.208 -7.154 1.00 1.26 H new ATOM 17 N ILE A 249 1.983 -11.343 -8.707 1.00 0.45 N ATOM 18 CA ILE A 249 1.591 -9.950 -8.560 1.00 0.43 C ATOM 19 C ILE A 249 0.099 -9.800 -8.834 1.00 0.42 C ATOM 20 O ILE A 249 -0.375 -10.109 -9.929 1.00 0.50 O ATOM 21 CB ILE A 249 2.397 -9.040 -9.511 1.00 0.47 C ATOM 22 CG1 ILE A 249 3.898 -9.203 -9.246 1.00 0.54 C ATOM 23 CG2 ILE A 249 1.977 -7.586 -9.343 1.00 0.50 C ATOM 24 CD1 ILE A 249 4.773 -8.582 -10.312 1.00 0.65 C ATOM 0 H ILE A 249 2.228 -11.611 -9.660 1.00 0.45 H new ATOM 0 HA ILE A 249 1.804 -9.642 -7.536 1.00 0.43 H new ATOM 0 HB ILE A 249 2.190 -9.336 -10.539 1.00 0.47 H new ATOM 0 HG12 ILE A 249 4.139 -8.753 -8.283 1.00 0.54 H new ATOM 0 HG13 ILE A 249 4.132 -10.265 -9.169 1.00 0.54 H new ATOM 0 HG21 ILE A 249 2.556 -6.959 -10.021 1.00 0.50 H new ATOM 0 HG22 ILE A 249 0.916 -7.485 -9.572 1.00 0.50 H new ATOM 0 HG23 ILE A 249 2.158 -7.271 -8.315 1.00 0.50 H new ATOM 0 HD11 ILE A 249 5.822 -8.737 -10.058 1.00 0.65 H new ATOM 0 HD12 ILE A 249 4.561 -9.048 -11.274 1.00 0.65 H new ATOM 0 HD13 ILE A 249 4.568 -7.513 -10.374 1.00 0.65 H new ATOM 36 N ILE A 250 -0.636 -9.331 -7.834 1.00 0.39 N ATOM 37 CA ILE A 250 -2.079 -9.169 -7.953 1.00 0.41 C ATOM 38 C ILE A 250 -2.488 -7.706 -7.787 1.00 0.37 C ATOM 39 O ILE A 250 -1.968 -6.998 -6.923 1.00 0.36 O ATOM 40 CB ILE A 250 -2.819 -10.035 -6.904 1.00 0.44 C ATOM 41 CG1 ILE A 250 -2.476 -11.515 -7.102 1.00 0.48 C ATOM 42 CG2 ILE A 250 -4.327 -9.821 -6.978 1.00 0.55 C ATOM 43 CD1 ILE A 250 -3.067 -12.421 -6.043 1.00 0.54 C ATOM 0 H ILE A 250 -0.255 -9.055 -6.929 1.00 0.39 H new ATOM 0 HA ILE A 250 -2.361 -9.500 -8.953 1.00 0.41 H new ATOM 0 HB ILE A 250 -2.486 -9.726 -5.913 1.00 0.44 H new ATOM 0 HG12 ILE A 250 -2.833 -11.834 -8.081 1.00 0.48 H new ATOM 0 HG13 ILE A 250 -1.392 -11.631 -7.104 1.00 0.48 H new ATOM 0 HG21 ILE A 250 -4.820 -10.442 -6.230 1.00 0.55 H new ATOM 0 HG22 ILE A 250 -4.556 -8.773 -6.787 1.00 0.55 H new ATOM 0 HG23 ILE A 250 -4.685 -10.095 -7.970 1.00 0.55 H new ATOM 0 HD11 ILE A 250 -2.783 -13.453 -6.247 1.00 0.54 H new ATOM 0 HD12 ILE A 250 -2.691 -12.128 -5.063 1.00 0.54 H new ATOM 0 HD13 ILE A 250 -4.154 -12.335 -6.055 1.00 0.54 H new ATOM 55 N THR A 251 -3.412 -7.264 -8.631 1.00 0.40 N ATOM 56 CA THR A 251 -3.914 -5.900 -8.586 1.00 0.39 C ATOM 57 C THR A 251 -5.342 -5.884 -8.050 1.00 0.40 C ATOM 58 O THR A 251 -6.222 -6.552 -8.594 1.00 0.48 O ATOM 59 CB THR A 251 -3.896 -5.255 -9.985 1.00 0.46 C ATOM 60 OG1 THR A 251 -2.918 -5.902 -10.810 1.00 0.59 O ATOM 61 CG2 THR A 251 -3.583 -3.768 -9.895 1.00 0.47 C ATOM 0 H THR A 251 -3.831 -7.839 -9.362 1.00 0.40 H new ATOM 0 HA THR A 251 -3.263 -5.328 -7.925 1.00 0.39 H new ATOM 0 HB THR A 251 -4.885 -5.376 -10.427 1.00 0.46 H new ATOM 0 HG1 THR A 251 -2.914 -5.488 -11.698 1.00 0.59 H new ATOM 0 HG21 THR A 251 -3.576 -3.336 -10.896 1.00 0.47 H new ATOM 0 HG22 THR A 251 -4.343 -3.272 -9.291 1.00 0.47 H new ATOM 0 HG23 THR A 251 -2.605 -3.629 -9.433 1.00 0.47 H new ATOM 69 N VAL A 252 -5.569 -5.140 -6.978 1.00 0.36 N ATOM 70 CA VAL A 252 -6.896 -5.056 -6.383 1.00 0.38 C ATOM 71 C VAL A 252 -7.464 -3.647 -6.510 1.00 0.35 C ATOM 72 O VAL A 252 -6.729 -2.660 -6.424 1.00 0.39 O ATOM 73 CB VAL A 252 -6.889 -5.474 -4.894 1.00 0.41 C ATOM 74 CG1 VAL A 252 -6.473 -6.929 -4.751 1.00 0.50 C ATOM 75 CG2 VAL A 252 -5.970 -4.575 -4.081 1.00 0.40 C ATOM 0 H VAL A 252 -4.855 -4.587 -6.503 1.00 0.36 H new ATOM 0 HA VAL A 252 -7.530 -5.752 -6.933 1.00 0.38 H new ATOM 0 HB VAL A 252 -7.902 -5.363 -4.506 1.00 0.41 H new ATOM 0 HG11 VAL A 252 -6.474 -7.206 -3.697 1.00 0.50 H new ATOM 0 HG12 VAL A 252 -7.175 -7.563 -5.293 1.00 0.50 H new ATOM 0 HG13 VAL A 252 -5.472 -7.063 -5.161 1.00 0.50 H new ATOM 0 HG21 VAL A 252 -5.983 -4.890 -3.038 1.00 0.40 H new ATOM 0 HG22 VAL A 252 -4.954 -4.647 -4.469 1.00 0.40 H new ATOM 0 HG23 VAL A 252 -6.314 -3.543 -4.153 1.00 0.40 H new ATOM 85 N THR A 253 -8.767 -3.567 -6.736 1.00 0.39 N ATOM 86 CA THR A 253 -9.455 -2.288 -6.868 1.00 0.40 C ATOM 87 C THR A 253 -10.289 -2.010 -5.615 1.00 0.39 C ATOM 88 O THR A 253 -11.334 -2.628 -5.396 1.00 0.54 O ATOM 89 CB THR A 253 -10.365 -2.246 -8.126 1.00 0.50 C ATOM 90 OG1 THR A 253 -11.387 -1.248 -7.976 1.00 0.76 O ATOM 91 CG2 THR A 253 -11.015 -3.599 -8.383 1.00 0.79 C ATOM 0 H THR A 253 -9.375 -4.380 -6.833 1.00 0.39 H new ATOM 0 HA THR A 253 -8.694 -1.516 -6.983 1.00 0.40 H new ATOM 0 HB THR A 253 -9.734 -1.994 -8.978 1.00 0.50 H new ATOM 0 HG1 THR A 253 -11.950 -1.234 -8.778 1.00 0.76 H new ATOM 0 HG21 THR A 253 -11.646 -3.537 -9.270 1.00 0.79 H new ATOM 0 HG22 THR A 253 -10.241 -4.351 -8.540 1.00 0.79 H new ATOM 0 HG23 THR A 253 -11.624 -3.879 -7.524 1.00 0.79 H new ATOM 99 N LEU A 254 -9.833 -1.072 -4.802 1.00 0.33 N ATOM 100 CA LEU A 254 -10.523 -0.735 -3.566 1.00 0.35 C ATOM 101 C LEU A 254 -11.518 0.404 -3.769 1.00 0.35 C ATOM 102 O LEU A 254 -11.289 1.315 -4.566 1.00 0.37 O ATOM 103 CB LEU A 254 -9.506 -0.359 -2.486 1.00 0.36 C ATOM 104 CG LEU A 254 -8.429 -1.411 -2.209 1.00 0.39 C ATOM 105 CD1 LEU A 254 -7.511 -0.940 -1.096 1.00 0.46 C ATOM 106 CD2 LEU A 254 -9.058 -2.753 -1.853 1.00 0.45 C ATOM 0 H LEU A 254 -8.987 -0.529 -4.975 1.00 0.33 H new ATOM 0 HA LEU A 254 -11.085 -1.613 -3.247 1.00 0.35 H new ATOM 0 HB2 LEU A 254 -9.017 0.570 -2.778 1.00 0.36 H new ATOM 0 HB3 LEU A 254 -10.042 -0.159 -1.559 1.00 0.36 H new ATOM 0 HG LEU A 254 -7.839 -1.546 -3.116 1.00 0.39 H new ATOM 0 HD11 LEU A 254 -6.749 -1.697 -0.908 1.00 0.46 H new ATOM 0 HD12 LEU A 254 -7.031 -0.007 -1.391 1.00 0.46 H new ATOM 0 HD13 LEU A 254 -8.093 -0.778 -0.189 1.00 0.46 H new ATOM 0 HD21 LEU A 254 -8.272 -3.484 -1.661 1.00 0.45 H new ATOM 0 HD22 LEU A 254 -9.675 -2.641 -0.962 1.00 0.45 H new ATOM 0 HD23 LEU A 254 -9.677 -3.096 -2.682 1.00 0.45 H new ATOM 118 N ASN A 255 -12.627 0.329 -3.043 1.00 0.40 N ATOM 119 CA ASN A 255 -13.673 1.340 -3.113 1.00 0.44 C ATOM 120 C ASN A 255 -13.549 2.303 -1.939 1.00 0.40 C ATOM 121 O ASN A 255 -13.676 1.901 -0.778 1.00 0.39 O ATOM 122 CB ASN A 255 -15.055 0.680 -3.101 1.00 0.50 C ATOM 123 CG ASN A 255 -16.183 1.696 -3.037 1.00 0.55 C ATOM 124 OD1 ASN A 255 -16.614 2.096 -1.954 1.00 0.52 O ATOM 125 ND2 ASN A 255 -16.661 2.123 -4.194 1.00 0.65 N ATOM 0 H ASN A 255 -12.825 -0.431 -2.392 1.00 0.40 H new ATOM 0 HA ASN A 255 -13.557 1.895 -4.044 1.00 0.44 H new ATOM 0 HB2 ASN A 255 -15.170 0.069 -3.996 1.00 0.50 H new ATOM 0 HB3 ASN A 255 -15.126 0.008 -2.246 1.00 0.50 H new ATOM 0 HD21 ASN A 255 -17.415 2.809 -4.212 1.00 0.65 H new ATOM 0 HD22 ASN A 255 -16.275 1.766 -5.068 1.00 0.65 H new ATOM 132 N MET A 256 -13.312 3.570 -2.243 1.00 0.41 N ATOM 133 CA MET A 256 -13.163 4.590 -1.211 1.00 0.41 C ATOM 134 C MET A 256 -14.455 5.376 -1.015 1.00 0.44 C ATOM 135 O MET A 256 -14.433 6.534 -0.594 1.00 0.49 O ATOM 136 CB MET A 256 -12.017 5.540 -1.565 1.00 0.43 C ATOM 137 CG MET A 256 -10.646 4.884 -1.498 1.00 0.45 C ATOM 138 SD MET A 256 -10.241 4.274 0.151 1.00 0.56 S ATOM 139 CE MET A 256 -10.102 5.816 1.054 1.00 0.63 C ATOM 0 H MET A 256 -13.218 3.919 -3.197 1.00 0.41 H new ATOM 0 HA MET A 256 -12.931 4.084 -0.274 1.00 0.41 H new ATOM 0 HB2 MET A 256 -12.176 5.931 -2.570 1.00 0.43 H new ATOM 0 HB3 MET A 256 -12.038 6.392 -0.885 1.00 0.43 H new ATOM 0 HG2 MET A 256 -10.610 4.056 -2.206 1.00 0.45 H new ATOM 0 HG3 MET A 256 -9.889 5.603 -1.810 1.00 0.45 H new ATOM 0 HE1 MET A 256 -9.587 5.640 1.998 1.00 0.63 H new ATOM 0 HE2 MET A 256 -9.537 6.535 0.461 1.00 0.63 H new ATOM 0 HE3 MET A 256 -11.098 6.212 1.253 1.00 0.63 H new ATOM 149 N GLU A 257 -15.579 4.752 -1.330 1.00 0.46 N ATOM 150 CA GLU A 257 -16.872 5.399 -1.164 1.00 0.51 C ATOM 151 C GLU A 257 -17.482 4.992 0.167 1.00 0.49 C ATOM 152 O GLU A 257 -17.851 5.838 0.983 1.00 0.56 O ATOM 153 CB GLU A 257 -17.813 5.031 -2.308 1.00 0.56 C ATOM 154 CG GLU A 257 -17.616 5.882 -3.549 1.00 0.67 C ATOM 155 CD GLU A 257 -17.904 7.344 -3.293 1.00 0.86 C ATOM 156 OE1 GLU A 257 -19.087 7.743 -3.369 1.00 1.23 O ATOM 157 OE2 GLU A 257 -16.958 8.102 -3.011 1.00 1.27 O ATOM 0 H GLU A 257 -15.623 3.803 -1.700 1.00 0.46 H new ATOM 0 HA GLU A 257 -16.725 6.479 -1.178 1.00 0.51 H new ATOM 0 HB2 GLU A 257 -17.664 3.983 -2.568 1.00 0.56 H new ATOM 0 HB3 GLU A 257 -18.844 5.132 -1.967 1.00 0.56 H new ATOM 0 HG2 GLU A 257 -16.591 5.772 -3.903 1.00 0.67 H new ATOM 0 HG3 GLU A 257 -18.268 5.519 -4.343 1.00 0.67 H new ATOM 164 N ARG A 258 -17.575 3.687 0.378 1.00 0.45 N ATOM 165 CA ARG A 258 -18.124 3.148 1.614 1.00 0.45 C ATOM 166 C ARG A 258 -17.042 3.117 2.691 1.00 0.43 C ATOM 167 O ARG A 258 -17.327 3.017 3.884 1.00 0.63 O ATOM 168 CB ARG A 258 -18.676 1.741 1.373 1.00 0.48 C ATOM 169 CG ARG A 258 -19.262 1.092 2.616 1.00 0.56 C ATOM 170 CD ARG A 258 -19.727 -0.327 2.342 1.00 0.64 C ATOM 171 NE ARG A 258 -19.868 -1.096 3.575 1.00 0.75 N ATOM 172 CZ ARG A 258 -20.445 -2.294 3.650 1.00 0.86 C ATOM 173 NH1 ARG A 258 -20.954 -2.866 2.563 1.00 1.01 N ATOM 174 NH2 ARG A 258 -20.515 -2.912 4.817 1.00 1.06 N ATOM 0 H ARG A 258 -17.276 2.980 -0.293 1.00 0.45 H new ATOM 0 HA ARG A 258 -18.939 3.788 1.952 1.00 0.45 H new ATOM 0 HB2 ARG A 258 -19.445 1.790 0.602 1.00 0.48 H new ATOM 0 HB3 ARG A 258 -17.877 1.108 0.986 1.00 0.48 H new ATOM 0 HG2 ARG A 258 -18.514 1.083 3.409 1.00 0.56 H new ATOM 0 HG3 ARG A 258 -20.101 1.687 2.976 1.00 0.56 H new ATOM 0 HD2 ARG A 258 -20.682 -0.302 1.817 1.00 0.64 H new ATOM 0 HD3 ARG A 258 -19.014 -0.823 1.683 1.00 0.64 H new ATOM 0 HE ARG A 258 -19.501 -0.689 4.435 1.00 0.75 H new ATOM 0 HH11 ARG A 258 -20.904 -2.387 1.664 1.00 1.01 H new ATOM 0 HH12 ARG A 258 -21.394 -3.784 2.628 1.00 1.01 H new ATOM 0 HH21 ARG A 258 -20.129 -2.471 5.652 1.00 1.06 H new ATOM 0 HH22 ARG A 258 -20.955 -3.830 4.883 1.00 1.06 H new ATOM 188 N HIS A 259 -15.793 3.216 2.258 1.00 0.37 N ATOM 189 CA HIS A 259 -14.662 3.197 3.170 1.00 0.35 C ATOM 190 C HIS A 259 -13.986 4.557 3.186 1.00 0.40 C ATOM 191 O HIS A 259 -13.944 5.240 2.167 1.00 0.63 O ATOM 192 CB HIS A 259 -13.661 2.120 2.759 1.00 0.38 C ATOM 193 CG HIS A 259 -14.166 0.727 2.979 1.00 0.46 C ATOM 194 ND1 HIS A 259 -14.355 0.026 4.121 1.00 0.61 N flip ATOM 195 CD2 HIS A 259 -14.552 -0.108 1.954 1.00 0.58 C flip ATOM 196 CE1 HIS A 259 -14.844 -1.204 3.769 1.00 0.76 C flip ATOM 197 NE2 HIS A 259 -14.953 -1.259 2.459 1.00 0.75 N flip ATOM 0 H HIS A 259 -15.538 3.311 1.275 1.00 0.37 H new ATOM 0 HA HIS A 259 -15.026 2.968 4.171 1.00 0.35 H new ATOM 0 HB2 HIS A 259 -13.413 2.247 1.705 1.00 0.38 H new ATOM 0 HB3 HIS A 259 -12.738 2.258 3.322 1.00 0.38 H new ATOM 0 HD1 HIS A 259 -14.168 0.353 5.069 1.00 0.61 H new ATOM 0 HD2 HIS A 259 -14.530 0.140 0.903 1.00 0.58 H new ATOM 0 HE1 HIS A 259 -15.098 -1.999 4.455 1.00 0.76 H new ATOM 206 N HIS A 260 -13.463 4.949 4.341 1.00 0.36 N ATOM 207 CA HIS A 260 -12.804 6.244 4.473 1.00 0.42 C ATOM 208 C HIS A 260 -11.302 6.091 4.681 1.00 0.35 C ATOM 209 O HIS A 260 -10.593 7.080 4.866 1.00 0.42 O ATOM 210 CB HIS A 260 -13.414 7.035 5.632 1.00 0.56 C ATOM 211 CG HIS A 260 -14.724 7.673 5.286 1.00 0.71 C ATOM 212 ND1 HIS A 260 -14.860 9.018 5.008 1.00 0.97 N ATOM 213 CD2 HIS A 260 -15.965 7.140 5.171 1.00 0.88 C ATOM 214 CE1 HIS A 260 -16.127 9.279 4.734 1.00 1.09 C ATOM 215 NE2 HIS A 260 -16.813 8.160 4.825 1.00 1.01 N ATOM 0 H HIS A 260 -13.481 4.393 5.196 1.00 0.36 H new ATOM 0 HA HIS A 260 -12.961 6.790 3.542 1.00 0.42 H new ATOM 0 HB2 HIS A 260 -13.555 6.369 6.483 1.00 0.56 H new ATOM 0 HB3 HIS A 260 -12.712 7.808 5.945 1.00 0.56 H new ATOM 0 HD2 HIS A 260 -16.235 6.105 5.323 1.00 0.88 H new ATOM 0 HE1 HIS A 260 -16.531 10.248 4.479 1.00 1.09 H new ATOM 0 HE2 HIS A 260 -17.816 8.066 4.664 1.00 1.01 H new ATOM 224 N PHE A 261 -10.818 4.856 4.645 1.00 0.30 N ATOM 225 CA PHE A 261 -9.399 4.595 4.828 1.00 0.25 C ATOM 226 C PHE A 261 -9.026 3.227 4.271 1.00 0.21 C ATOM 227 O PHE A 261 -9.900 2.394 4.002 1.00 0.22 O ATOM 228 CB PHE A 261 -9.004 4.704 6.308 1.00 0.28 C ATOM 229 CG PHE A 261 -9.632 3.674 7.206 1.00 0.32 C ATOM 230 CD1 PHE A 261 -10.963 3.777 7.584 1.00 0.52 C ATOM 231 CD2 PHE A 261 -8.884 2.615 7.690 1.00 0.36 C ATOM 232 CE1 PHE A 261 -11.535 2.839 8.419 1.00 0.62 C ATOM 233 CE2 PHE A 261 -9.450 1.675 8.528 1.00 0.44 C ATOM 234 CZ PHE A 261 -10.777 1.787 8.893 1.00 0.52 C ATOM 0 H PHE A 261 -11.386 4.023 4.491 1.00 0.30 H new ATOM 0 HA PHE A 261 -8.844 5.353 4.275 1.00 0.25 H new ATOM 0 HB2 PHE A 261 -7.920 4.622 6.387 1.00 0.28 H new ATOM 0 HB3 PHE A 261 -9.276 5.695 6.670 1.00 0.28 H new ATOM 0 HD1 PHE A 261 -11.559 4.601 7.220 1.00 0.52 H new ATOM 0 HD2 PHE A 261 -7.845 2.523 7.409 1.00 0.36 H new ATOM 0 HE1 PHE A 261 -12.574 2.928 8.701 1.00 0.62 H new ATOM 0 HE2 PHE A 261 -8.855 0.853 8.898 1.00 0.44 H new ATOM 0 HZ PHE A 261 -11.221 1.053 9.548 1.00 0.52 H new ATOM 244 N LEU A 262 -7.731 3.007 4.102 1.00 0.17 N ATOM 245 CA LEU A 262 -7.222 1.754 3.568 1.00 0.14 C ATOM 246 C LEU A 262 -7.220 0.688 4.654 1.00 0.12 C ATOM 247 O LEU A 262 -7.801 -0.387 4.488 1.00 0.14 O ATOM 248 CB LEU A 262 -5.807 1.958 3.004 1.00 0.14 C ATOM 249 CG LEU A 262 -5.713 2.258 1.499 1.00 0.19 C ATOM 250 CD1 LEU A 262 -5.025 1.116 0.777 1.00 0.23 C ATOM 251 CD2 LEU A 262 -7.085 2.512 0.889 1.00 0.34 C ATOM 0 H LEU A 262 -7.007 3.688 4.330 1.00 0.17 H new ATOM 0 HA LEU A 262 -7.871 1.421 2.758 1.00 0.14 H new ATOM 0 HB2 LEU A 262 -5.337 2.778 3.547 1.00 0.14 H new ATOM 0 HB3 LEU A 262 -5.223 1.062 3.212 1.00 0.14 H new ATOM 0 HG LEU A 262 -5.122 3.166 1.380 1.00 0.19 H new ATOM 0 HD11 LEU A 262 -4.965 1.342 -0.288 1.00 0.23 H new ATOM 0 HD12 LEU A 262 -4.020 0.986 1.177 1.00 0.23 H new ATOM 0 HD13 LEU A 262 -5.595 0.198 0.922 1.00 0.23 H new ATOM 0 HD21 LEU A 262 -6.977 2.720 -0.175 1.00 0.34 H new ATOM 0 HD22 LEU A 262 -7.712 1.631 1.025 1.00 0.34 H new ATOM 0 HD23 LEU A 262 -7.549 3.367 1.381 1.00 0.34 H new ATOM 263 N GLY A 263 -6.574 1.001 5.768 1.00 0.11 N ATOM 264 CA GLY A 263 -6.518 0.080 6.883 1.00 0.12 C ATOM 265 C GLY A 263 -5.292 -0.804 6.853 1.00 0.11 C ATOM 266 O GLY A 263 -5.380 -2.001 7.121 1.00 0.14 O ATOM 0 H GLY A 263 -6.085 1.883 5.919 1.00 0.11 H new ATOM 0 HA2 GLY A 263 -6.530 0.645 7.815 1.00 0.12 H new ATOM 0 HA3 GLY A 263 -7.411 -0.545 6.877 1.00 0.12 H new ATOM 270 N ILE A 264 -4.144 -0.222 6.542 1.00 0.09 N ATOM 271 CA ILE A 264 -2.905 -0.983 6.485 1.00 0.09 C ATOM 272 C ILE A 264 -1.730 -0.206 7.059 1.00 0.08 C ATOM 273 O ILE A 264 -1.704 1.029 7.045 1.00 0.11 O ATOM 274 CB ILE A 264 -2.543 -1.419 5.050 1.00 0.12 C ATOM 275 CG1 ILE A 264 -2.816 -0.288 4.053 1.00 0.14 C ATOM 276 CG2 ILE A 264 -3.302 -2.677 4.663 1.00 0.17 C ATOM 277 CD1 ILE A 264 -2.178 -0.507 2.699 1.00 0.18 C ATOM 0 H ILE A 264 -4.044 0.770 6.326 1.00 0.09 H new ATOM 0 HA ILE A 264 -3.089 -1.870 7.091 1.00 0.09 H new ATOM 0 HB ILE A 264 -1.477 -1.644 5.021 1.00 0.12 H new ATOM 0 HG12 ILE A 264 -3.893 -0.180 3.925 1.00 0.14 H new ATOM 0 HG13 ILE A 264 -2.449 0.650 4.471 1.00 0.14 H new ATOM 0 HG21 ILE A 264 -3.032 -2.967 3.648 1.00 0.17 H new ATOM 0 HG22 ILE A 264 -3.046 -3.483 5.351 1.00 0.17 H new ATOM 0 HG23 ILE A 264 -4.374 -2.485 4.713 1.00 0.17 H new ATOM 0 HD11 ILE A 264 -2.414 0.333 2.046 1.00 0.18 H new ATOM 0 HD12 ILE A 264 -1.097 -0.585 2.814 1.00 0.18 H new ATOM 0 HD13 ILE A 264 -2.563 -1.427 2.260 1.00 0.18 H new ATOM 289 N SER A 265 -0.769 -0.953 7.579 1.00 0.09 N ATOM 290 CA SER A 265 0.441 -0.383 8.142 1.00 0.12 C ATOM 291 C SER A 265 1.576 -0.531 7.142 1.00 0.11 C ATOM 292 O SER A 265 1.925 -1.649 6.755 1.00 0.19 O ATOM 293 CB SER A 265 0.790 -1.105 9.440 1.00 0.20 C ATOM 294 OG SER A 265 -0.302 -1.898 9.875 1.00 1.00 O ATOM 0 H SER A 265 -0.807 -1.971 7.622 1.00 0.09 H new ATOM 0 HA SER A 265 0.285 0.674 8.356 1.00 0.12 H new ATOM 0 HB2 SER A 265 1.667 -1.734 9.289 1.00 0.20 H new ATOM 0 HB3 SER A 265 1.049 -0.378 10.210 1.00 0.20 H new ATOM 0 HG SER A 265 -0.799 -1.417 10.570 1.00 1.00 H new ATOM 300 N ILE A 266 2.143 0.582 6.716 1.00 0.10 N ATOM 301 CA ILE A 266 3.219 0.549 5.740 1.00 0.11 C ATOM 302 C ILE A 266 4.571 0.413 6.432 1.00 0.13 C ATOM 303 O ILE A 266 5.048 1.347 7.076 1.00 0.28 O ATOM 304 CB ILE A 266 3.223 1.809 4.851 1.00 0.13 C ATOM 305 CG1 ILE A 266 1.794 2.292 4.571 1.00 0.14 C ATOM 306 CG2 ILE A 266 3.953 1.527 3.547 1.00 0.19 C ATOM 307 CD1 ILE A 266 0.924 1.264 3.886 1.00 0.16 C ATOM 0 H ILE A 266 1.879 1.517 7.028 1.00 0.10 H new ATOM 0 HA ILE A 266 3.047 -0.320 5.105 1.00 0.11 H new ATOM 0 HB ILE A 266 3.746 2.602 5.385 1.00 0.13 H new ATOM 0 HG12 ILE A 266 1.327 2.579 5.513 1.00 0.14 H new ATOM 0 HG13 ILE A 266 1.838 3.187 3.951 1.00 0.14 H new ATOM 0 HG21 ILE A 266 3.950 2.423 2.927 1.00 0.19 H new ATOM 0 HG22 ILE A 266 4.982 1.238 3.761 1.00 0.19 H new ATOM 0 HG23 ILE A 266 3.451 0.717 3.017 1.00 0.19 H new ATOM 0 HD11 ILE A 266 -0.070 1.680 3.722 1.00 0.16 H new ATOM 0 HD12 ILE A 266 1.367 0.993 2.927 1.00 0.16 H new ATOM 0 HD13 ILE A 266 0.847 0.376 4.514 1.00 0.16 H new ATOM 319 N VAL A 267 5.170 -0.760 6.317 1.00 0.12 N ATOM 320 CA VAL A 267 6.464 -1.016 6.929 1.00 0.14 C ATOM 321 C VAL A 267 7.567 -0.993 5.875 1.00 0.14 C ATOM 322 O VAL A 267 7.599 -1.836 4.979 1.00 0.23 O ATOM 323 CB VAL A 267 6.482 -2.370 7.668 1.00 0.24 C ATOM 324 CG1 VAL A 267 7.805 -2.577 8.390 1.00 0.29 C ATOM 325 CG2 VAL A 267 5.319 -2.458 8.645 1.00 0.31 C ATOM 0 H VAL A 267 4.781 -1.552 5.805 1.00 0.12 H new ATOM 0 HA VAL A 267 6.643 -0.225 7.658 1.00 0.14 H new ATOM 0 HB VAL A 267 6.373 -3.163 6.928 1.00 0.24 H new ATOM 0 HG11 VAL A 267 7.793 -3.538 8.903 1.00 0.29 H new ATOM 0 HG12 VAL A 267 8.620 -2.562 7.667 1.00 0.29 H new ATOM 0 HG13 VAL A 267 7.951 -1.779 9.118 1.00 0.29 H new ATOM 0 HG21 VAL A 267 5.347 -3.419 9.158 1.00 0.31 H new ATOM 0 HG22 VAL A 267 5.397 -1.654 9.377 1.00 0.31 H new ATOM 0 HG23 VAL A 267 4.379 -2.364 8.101 1.00 0.31 H new ATOM 335 N GLY A 268 8.453 -0.015 5.980 1.00 0.17 N ATOM 336 CA GLY A 268 9.541 0.103 5.034 1.00 0.23 C ATOM 337 C GLY A 268 10.851 -0.371 5.619 1.00 0.23 C ATOM 338 O GLY A 268 11.380 0.246 6.546 1.00 0.37 O ATOM 0 H GLY A 268 8.437 0.701 6.706 1.00 0.17 H new ATOM 0 HA2 GLY A 268 9.311 -0.479 4.141 1.00 0.23 H new ATOM 0 HA3 GLY A 268 9.638 1.142 4.721 1.00 0.23 H new ATOM 342 N GLN A 269 11.374 -1.463 5.081 1.00 0.27 N ATOM 343 CA GLN A 269 12.631 -2.026 5.558 1.00 0.34 C ATOM 344 C GLN A 269 13.796 -1.104 5.217 1.00 0.38 C ATOM 345 O GLN A 269 14.257 -1.053 4.074 1.00 0.50 O ATOM 346 CB GLN A 269 12.849 -3.418 4.967 1.00 0.49 C ATOM 347 CG GLN A 269 11.743 -4.397 5.327 1.00 0.67 C ATOM 348 CD GLN A 269 12.123 -5.844 5.082 1.00 1.19 C ATOM 349 OE1 GLN A 269 11.653 -6.739 5.783 1.00 1.81 O ATOM 350 NE2 GLN A 269 12.968 -6.087 4.092 1.00 1.87 N ATOM 0 H GLN A 269 10.947 -1.979 4.312 1.00 0.27 H new ATOM 0 HA GLN A 269 12.579 -2.119 6.643 1.00 0.34 H new ATOM 0 HB2 GLN A 269 12.918 -3.339 3.882 1.00 0.49 H new ATOM 0 HB3 GLN A 269 13.803 -3.811 5.319 1.00 0.49 H new ATOM 0 HG2 GLN A 269 11.482 -4.270 6.378 1.00 0.67 H new ATOM 0 HG3 GLN A 269 10.852 -4.159 4.746 1.00 0.67 H new ATOM 0 HE21 GLN A 269 13.335 -5.316 3.534 1.00 1.87 H new ATOM 0 HE22 GLN A 269 13.252 -7.045 3.887 1.00 1.87 H new ATOM 446 N GLY A 277 11.847 -1.651 0.355 1.00 0.30 N ATOM 447 CA GLY A 277 10.484 -1.831 -0.087 1.00 0.29 C ATOM 448 C GLY A 277 9.505 -1.691 1.055 1.00 0.24 C ATOM 449 O GLY A 277 9.882 -1.828 2.222 1.00 0.27 O ATOM 0 HA2 GLY A 277 10.251 -1.097 -0.858 1.00 0.29 H new ATOM 0 HA3 GLY A 277 10.375 -2.816 -0.541 1.00 0.29 H new ATOM 453 N ILE A 278 8.255 -1.413 0.726 1.00 0.21 N ATOM 454 CA ILE A 278 7.220 -1.252 1.734 1.00 0.19 C ATOM 455 C ILE A 278 6.331 -2.489 1.791 1.00 0.18 C ATOM 456 O ILE A 278 5.759 -2.913 0.782 1.00 0.23 O ATOM 457 CB ILE A 278 6.368 0.012 1.477 1.00 0.20 C ATOM 458 CG1 ILE A 278 5.975 0.107 -0.001 1.00 0.23 C ATOM 459 CG2 ILE A 278 7.134 1.257 1.911 1.00 0.23 C ATOM 460 CD1 ILE A 278 4.981 1.208 -0.297 1.00 0.27 C ATOM 0 H ILE A 278 7.931 -1.294 -0.234 1.00 0.21 H new ATOM 0 HA ILE A 278 7.715 -1.129 2.697 1.00 0.19 H new ATOM 0 HB ILE A 278 5.454 -0.058 2.066 1.00 0.20 H new ATOM 0 HG12 ILE A 278 6.873 0.271 -0.597 1.00 0.23 H new ATOM 0 HG13 ILE A 278 5.552 -0.847 -0.317 1.00 0.23 H new ATOM 0 HG21 ILE A 278 6.525 2.142 1.726 1.00 0.23 H new ATOM 0 HG22 ILE A 278 7.364 1.191 2.974 1.00 0.23 H new ATOM 0 HG23 ILE A 278 8.062 1.330 1.343 1.00 0.23 H new ATOM 0 HD11 ILE A 278 4.751 1.214 -1.362 1.00 0.27 H new ATOM 0 HD12 ILE A 278 4.067 1.035 0.271 1.00 0.27 H new ATOM 0 HD13 ILE A 278 5.408 2.170 -0.013 1.00 0.27 H new ATOM 472 N TYR A 279 6.236 -3.072 2.975 1.00 0.15 N ATOM 473 CA TYR A 279 5.440 -4.272 3.178 1.00 0.16 C ATOM 474 C TYR A 279 4.252 -3.988 4.082 1.00 0.15 C ATOM 475 O TYR A 279 4.261 -3.028 4.859 1.00 0.18 O ATOM 476 CB TYR A 279 6.294 -5.384 3.795 1.00 0.19 C ATOM 477 CG TYR A 279 7.520 -5.739 2.986 1.00 0.24 C ATOM 478 CD1 TYR A 279 8.684 -4.990 3.088 1.00 0.42 C ATOM 479 CD2 TYR A 279 7.512 -6.826 2.123 1.00 0.44 C ATOM 480 CE1 TYR A 279 9.804 -5.310 2.351 1.00 0.55 C ATOM 481 CE2 TYR A 279 8.631 -7.156 1.382 1.00 0.57 C ATOM 482 CZ TYR A 279 9.775 -6.394 1.500 1.00 0.55 C ATOM 483 OH TYR A 279 10.892 -6.713 0.765 1.00 0.72 O ATOM 0 H TYR A 279 6.703 -2.731 3.815 1.00 0.15 H new ATOM 0 HA TYR A 279 5.073 -4.597 2.204 1.00 0.16 H new ATOM 0 HB2 TYR A 279 6.607 -5.076 4.793 1.00 0.19 H new ATOM 0 HB3 TYR A 279 5.679 -6.276 3.914 1.00 0.19 H new ATOM 0 HD1 TYR A 279 8.713 -4.142 3.756 1.00 0.42 H new ATOM 0 HD2 TYR A 279 6.617 -7.423 2.029 1.00 0.44 H new ATOM 0 HE1 TYR A 279 10.700 -4.714 2.440 1.00 0.55 H new ATOM 0 HE2 TYR A 279 8.610 -8.005 0.715 1.00 0.57 H new ATOM 0 HH TYR A 279 10.728 -6.516 -0.181 1.00 0.72 H new ATOM 493 N ILE A 280 3.230 -4.823 3.965 1.00 0.16 N ATOM 494 CA ILE A 280 2.029 -4.695 4.776 1.00 0.16 C ATOM 495 C ILE A 280 2.283 -5.251 6.176 1.00 0.17 C ATOM 496 O ILE A 280 2.523 -6.448 6.340 1.00 0.21 O ATOM 497 CB ILE A 280 0.836 -5.447 4.140 1.00 0.19 C ATOM 498 CG1 ILE A 280 0.583 -4.940 2.713 1.00 0.21 C ATOM 499 CG2 ILE A 280 -0.418 -5.297 4.992 1.00 0.21 C ATOM 500 CD1 ILE A 280 0.195 -3.479 2.638 1.00 0.24 C ATOM 0 H ILE A 280 3.210 -5.604 3.309 1.00 0.16 H new ATOM 0 HA ILE A 280 1.780 -3.636 4.835 1.00 0.16 H new ATOM 0 HB ILE A 280 1.087 -6.507 4.093 1.00 0.19 H new ATOM 0 HG12 ILE A 280 1.482 -5.097 2.118 1.00 0.21 H new ATOM 0 HG13 ILE A 280 -0.207 -5.539 2.261 1.00 0.21 H new ATOM 0 HG21 ILE A 280 -1.243 -5.835 4.524 1.00 0.21 H new ATOM 0 HG22 ILE A 280 -0.235 -5.708 5.985 1.00 0.21 H new ATOM 0 HG23 ILE A 280 -0.675 -4.241 5.078 1.00 0.21 H new ATOM 0 HD11 ILE A 280 0.034 -3.198 1.597 1.00 0.24 H new ATOM 0 HD12 ILE A 280 -0.722 -3.317 3.204 1.00 0.24 H new ATOM 0 HD13 ILE A 280 0.994 -2.868 3.059 1.00 0.24 H new ATOM 512 N GLY A 281 2.252 -4.375 7.172 1.00 0.20 N ATOM 513 CA GLY A 281 2.475 -4.797 8.542 1.00 0.23 C ATOM 514 C GLY A 281 1.265 -5.482 9.139 1.00 0.24 C ATOM 515 O GLY A 281 1.346 -6.626 9.581 1.00 0.42 O ATOM 0 H GLY A 281 2.076 -3.377 7.055 1.00 0.20 H new ATOM 0 HA2 GLY A 281 3.327 -5.476 8.576 1.00 0.23 H new ATOM 0 HA3 GLY A 281 2.734 -3.929 9.149 1.00 0.23 H new ATOM 519 N SER A 282 0.144 -4.782 9.154 1.00 0.25 N ATOM 520 CA SER A 282 -1.091 -5.325 9.695 1.00 0.29 C ATOM 521 C SER A 282 -2.291 -4.705 8.993 1.00 0.26 C ATOM 522 O SER A 282 -2.205 -3.589 8.471 1.00 0.30 O ATOM 523 CB SER A 282 -1.157 -5.070 11.208 1.00 0.35 C ATOM 524 OG SER A 282 -0.389 -3.933 11.569 1.00 0.75 O ATOM 0 H SER A 282 0.063 -3.831 8.795 1.00 0.25 H new ATOM 0 HA SER A 282 -1.112 -6.401 9.522 1.00 0.29 H new ATOM 0 HB2 SER A 282 -2.194 -4.923 11.510 1.00 0.35 H new ATOM 0 HB3 SER A 282 -0.790 -5.945 11.744 1.00 0.35 H new ATOM 0 HG SER A 282 -0.627 -3.180 10.989 1.00 0.75 H new ATOM 530 N ILE A 283 -3.397 -5.432 8.968 1.00 0.24 N ATOM 531 CA ILE A 283 -4.617 -4.958 8.332 1.00 0.23 C ATOM 532 C ILE A 283 -5.662 -4.624 9.386 1.00 0.23 C ATOM 533 O ILE A 283 -5.931 -5.424 10.281 1.00 0.30 O ATOM 534 CB ILE A 283 -5.188 -6.010 7.359 1.00 0.27 C ATOM 535 CG1 ILE A 283 -4.110 -6.451 6.366 1.00 0.32 C ATOM 536 CG2 ILE A 283 -6.401 -5.455 6.619 1.00 0.29 C ATOM 537 CD1 ILE A 283 -4.508 -7.648 5.536 1.00 0.53 C ATOM 0 H ILE A 283 -3.475 -6.360 9.384 1.00 0.24 H new ATOM 0 HA ILE A 283 -4.368 -4.061 7.764 1.00 0.23 H new ATOM 0 HB ILE A 283 -5.508 -6.878 7.935 1.00 0.27 H new ATOM 0 HG12 ILE A 283 -3.878 -5.619 5.701 1.00 0.32 H new ATOM 0 HG13 ILE A 283 -3.197 -6.686 6.914 1.00 0.32 H new ATOM 0 HG21 ILE A 283 -6.789 -6.212 5.938 1.00 0.29 H new ATOM 0 HG22 ILE A 283 -7.174 -5.184 7.339 1.00 0.29 H new ATOM 0 HG23 ILE A 283 -6.108 -4.572 6.051 1.00 0.29 H new ATOM 0 HD11 ILE A 283 -3.697 -7.905 4.855 1.00 0.53 H new ATOM 0 HD12 ILE A 283 -4.712 -8.494 6.192 1.00 0.53 H new ATOM 0 HD13 ILE A 283 -5.403 -7.411 4.961 1.00 0.53 H new ATOM 549 N MET A 284 -6.244 -3.444 9.281 1.00 0.20 N ATOM 550 CA MET A 284 -7.250 -3.007 10.234 1.00 0.21 C ATOM 551 C MET A 284 -8.652 -3.334 9.734 1.00 0.22 C ATOM 552 O MET A 284 -9.045 -2.912 8.643 1.00 0.23 O ATOM 553 CB MET A 284 -7.120 -1.505 10.495 1.00 0.24 C ATOM 554 CG MET A 284 -5.853 -1.120 11.243 1.00 0.35 C ATOM 555 SD MET A 284 -5.749 -1.869 12.883 1.00 0.54 S ATOM 556 CE MET A 284 -4.576 -3.193 12.588 1.00 0.74 C ATOM 0 H MET A 284 -6.038 -2.769 8.544 1.00 0.20 H new ATOM 0 HA MET A 284 -7.086 -3.543 11.169 1.00 0.21 H new ATOM 0 HB2 MET A 284 -7.143 -0.977 9.542 1.00 0.24 H new ATOM 0 HB3 MET A 284 -7.985 -1.169 11.067 1.00 0.24 H new ATOM 0 HG2 MET A 284 -4.985 -1.421 10.656 1.00 0.35 H new ATOM 0 HG3 MET A 284 -5.811 -0.035 11.341 1.00 0.35 H new ATOM 0 HE1 MET A 284 -4.052 -3.428 13.514 1.00 0.74 H new ATOM 0 HE2 MET A 284 -5.107 -4.078 12.237 1.00 0.74 H new ATOM 0 HE3 MET A 284 -3.855 -2.879 11.833 1.00 0.74 H new ATOM 566 N LYS A 285 -9.397 -4.092 10.533 1.00 0.28 N ATOM 567 CA LYS A 285 -10.755 -4.477 10.183 1.00 0.33 C ATOM 568 C LYS A 285 -11.626 -3.232 10.050 1.00 0.33 C ATOM 569 O LYS A 285 -11.774 -2.466 11.001 1.00 0.46 O ATOM 570 CB LYS A 285 -11.325 -5.414 11.249 1.00 0.43 C ATOM 571 CG LYS A 285 -12.641 -6.073 10.857 1.00 0.49 C ATOM 572 CD LYS A 285 -12.446 -7.114 9.763 1.00 0.63 C ATOM 573 CE LYS A 285 -13.685 -7.980 9.588 1.00 0.83 C ATOM 574 NZ LYS A 285 -14.869 -7.179 9.184 1.00 1.01 N ATOM 0 H LYS A 285 -9.078 -4.452 11.432 1.00 0.28 H new ATOM 0 HA LYS A 285 -10.744 -5.003 9.228 1.00 0.33 H new ATOM 0 HB2 LYS A 285 -10.592 -6.191 11.464 1.00 0.43 H new ATOM 0 HB3 LYS A 285 -11.473 -4.851 12.171 1.00 0.43 H new ATOM 0 HG2 LYS A 285 -13.087 -6.545 11.733 1.00 0.49 H new ATOM 0 HG3 LYS A 285 -13.341 -5.311 10.514 1.00 0.49 H new ATOM 0 HD2 LYS A 285 -12.214 -6.615 8.822 1.00 0.63 H new ATOM 0 HD3 LYS A 285 -11.592 -7.745 10.008 1.00 0.63 H new ATOM 0 HE2 LYS A 285 -13.490 -8.744 8.836 1.00 0.83 H new ATOM 0 HE3 LYS A 285 -13.900 -8.499 10.522 1.00 0.83 H new ATOM 0 HZ1 LYS A 285 -15.674 -7.814 9.010 1.00 1.01 H new ATOM 0 HZ2 LYS A 285 -15.112 -6.512 9.944 1.00 1.01 H new ATOM 0 HZ3 LYS A 285 -14.651 -6.650 8.315 1.00 1.01 H new ATOM 588 N GLY A 286 -12.191 -3.035 8.872 1.00 0.33 N ATOM 589 CA GLY A 286 -13.020 -1.873 8.632 1.00 0.35 C ATOM 590 C GLY A 286 -12.486 -1.044 7.488 1.00 0.30 C ATOM 591 O GLY A 286 -13.183 -0.189 6.945 1.00 0.36 O ATOM 0 H GLY A 286 -12.091 -3.661 8.073 1.00 0.33 H new ATOM 0 HA2 GLY A 286 -14.039 -2.190 8.409 1.00 0.35 H new ATOM 0 HA3 GLY A 286 -13.066 -1.264 9.535 1.00 0.35 H new ATOM 595 N GLY A 287 -11.234 -1.293 7.129 1.00 0.26 N ATOM 596 CA GLY A 287 -10.616 -0.575 6.036 1.00 0.24 C ATOM 597 C GLY A 287 -10.951 -1.203 4.703 1.00 0.22 C ATOM 598 O GLY A 287 -11.495 -2.308 4.654 1.00 0.24 O ATOM 0 H GLY A 287 -10.634 -1.984 7.579 1.00 0.26 H new ATOM 0 HA2 GLY A 287 -10.950 0.462 6.045 1.00 0.24 H new ATOM 0 HA3 GLY A 287 -9.535 -0.563 6.172 1.00 0.24 H new ATOM 602 N ALA A 288 -10.627 -0.507 3.619 1.00 0.21 N ATOM 603 CA ALA A 288 -10.907 -1.007 2.278 1.00 0.22 C ATOM 604 C ALA A 288 -10.150 -2.302 1.993 1.00 0.22 C ATOM 605 O ALA A 288 -10.651 -3.177 1.289 1.00 0.25 O ATOM 606 CB ALA A 288 -10.565 0.049 1.235 1.00 0.24 C ATOM 0 H ALA A 288 -10.170 0.405 3.642 1.00 0.21 H new ATOM 0 HA ALA A 288 -11.973 -1.227 2.222 1.00 0.22 H new ATOM 0 HB1 ALA A 288 -10.780 -0.340 0.240 1.00 0.24 H new ATOM 0 HB2 ALA A 288 -11.163 0.943 1.412 1.00 0.24 H new ATOM 0 HB3 ALA A 288 -9.507 0.301 1.306 1.00 0.24 H new ATOM 612 N VAL A 289 -8.956 -2.424 2.560 1.00 0.20 N ATOM 613 CA VAL A 289 -8.129 -3.610 2.364 1.00 0.21 C ATOM 614 C VAL A 289 -8.761 -4.830 3.033 1.00 0.23 C ATOM 615 O VAL A 289 -8.730 -5.938 2.490 1.00 0.26 O ATOM 616 CB VAL A 289 -6.710 -3.395 2.928 1.00 0.20 C ATOM 617 CG1 VAL A 289 -5.864 -4.650 2.781 1.00 0.23 C ATOM 618 CG2 VAL A 289 -6.041 -2.216 2.243 1.00 0.20 C ATOM 0 H VAL A 289 -8.537 -1.714 3.161 1.00 0.20 H new ATOM 0 HA VAL A 289 -8.060 -3.786 1.291 1.00 0.21 H new ATOM 0 HB VAL A 289 -6.799 -3.175 3.992 1.00 0.20 H new ATOM 0 HG11 VAL A 289 -4.869 -4.468 3.187 1.00 0.23 H new ATOM 0 HG12 VAL A 289 -6.333 -5.471 3.324 1.00 0.23 H new ATOM 0 HG13 VAL A 289 -5.783 -4.912 1.726 1.00 0.23 H new ATOM 0 HG21 VAL A 289 -5.040 -2.077 2.652 1.00 0.20 H new ATOM 0 HG22 VAL A 289 -5.972 -2.409 1.172 1.00 0.20 H new ATOM 0 HG23 VAL A 289 -6.630 -1.315 2.412 1.00 0.20 H new ATOM 628 N ALA A 290 -9.366 -4.608 4.196 1.00 0.23 N ATOM 629 CA ALA A 290 -10.002 -5.682 4.948 1.00 0.27 C ATOM 630 C ALA A 290 -11.266 -6.172 4.250 1.00 0.29 C ATOM 631 O ALA A 290 -11.808 -7.222 4.593 1.00 0.37 O ATOM 632 CB ALA A 290 -10.321 -5.218 6.361 1.00 0.29 C ATOM 0 H ALA A 290 -9.429 -3.691 4.638 1.00 0.23 H new ATOM 0 HA ALA A 290 -9.304 -6.517 5.000 1.00 0.27 H new ATOM 0 HB1 ALA A 290 -10.796 -6.030 6.912 1.00 0.29 H new ATOM 0 HB2 ALA A 290 -9.399 -4.927 6.865 1.00 0.29 H new ATOM 0 HB3 ALA A 290 -10.997 -4.364 6.320 1.00 0.29 H new ATOM 638 N ALA A 291 -11.735 -5.410 3.272 1.00 0.29 N ATOM 639 CA ALA A 291 -12.932 -5.776 2.536 1.00 0.32 C ATOM 640 C ALA A 291 -12.592 -6.667 1.345 1.00 0.32 C ATOM 641 O ALA A 291 -13.477 -7.282 0.748 1.00 0.41 O ATOM 642 CB ALA A 291 -13.671 -4.531 2.073 1.00 0.38 C ATOM 0 H ALA A 291 -11.304 -4.536 2.972 1.00 0.29 H new ATOM 0 HA ALA A 291 -13.581 -6.340 3.206 1.00 0.32 H new ATOM 0 HB1 ALA A 291 -14.566 -4.822 1.523 1.00 0.38 H new ATOM 0 HB2 ALA A 291 -13.956 -3.934 2.939 1.00 0.38 H new ATOM 0 HB3 ALA A 291 -13.022 -3.943 1.424 1.00 0.38 H new ATOM 648 N ASP A 292 -11.311 -6.734 0.998 1.00 0.31 N ATOM 649 CA ASP A 292 -10.878 -7.555 -0.128 1.00 0.32 C ATOM 650 C ASP A 292 -10.512 -8.959 0.343 1.00 0.30 C ATOM 651 O ASP A 292 -11.215 -9.923 0.042 1.00 0.38 O ATOM 652 CB ASP A 292 -9.691 -6.918 -0.850 1.00 0.37 C ATOM 653 CG ASP A 292 -9.369 -7.635 -2.143 1.00 0.43 C ATOM 654 OD1 ASP A 292 -9.955 -7.283 -3.186 1.00 0.55 O ATOM 655 OD2 ASP A 292 -8.544 -8.569 -2.119 1.00 0.45 O ATOM 0 H ASP A 292 -10.560 -6.235 1.475 1.00 0.31 H new ATOM 0 HA ASP A 292 -11.709 -7.623 -0.830 1.00 0.32 H new ATOM 0 HB2 ASP A 292 -9.912 -5.872 -1.060 1.00 0.37 H new ATOM 0 HB3 ASP A 292 -8.818 -6.934 -0.198 1.00 0.37 H new ATOM 660 N GLY A 293 -9.405 -9.075 1.071 1.00 0.29 N ATOM 661 CA GLY A 293 -8.999 -10.369 1.589 1.00 0.33 C ATOM 662 C GLY A 293 -7.806 -10.982 0.874 1.00 0.33 C ATOM 663 O GLY A 293 -7.198 -11.923 1.387 1.00 0.39 O ATOM 0 H GLY A 293 -8.785 -8.301 1.310 1.00 0.29 H new ATOM 0 HA2 GLY A 293 -8.759 -10.265 2.647 1.00 0.33 H new ATOM 0 HA3 GLY A 293 -9.842 -11.056 1.519 1.00 0.33 H new ATOM 667 N ARG A 294 -7.458 -10.472 -0.304 1.00 0.31 N ATOM 668 CA ARG A 294 -6.323 -11.017 -1.049 1.00 0.32 C ATOM 669 C ARG A 294 -4.997 -10.484 -0.512 1.00 0.30 C ATOM 670 O ARG A 294 -3.945 -11.096 -0.706 1.00 0.37 O ATOM 671 CB ARG A 294 -6.456 -10.712 -2.538 1.00 0.35 C ATOM 672 CG ARG A 294 -7.496 -11.577 -3.235 1.00 0.41 C ATOM 673 CD ARG A 294 -7.777 -11.089 -4.641 1.00 0.44 C ATOM 674 NE ARG A 294 -8.479 -9.809 -4.647 1.00 0.43 N ATOM 675 CZ ARG A 294 -9.031 -9.269 -5.733 1.00 0.54 C ATOM 676 NH1 ARG A 294 -8.967 -9.900 -6.900 1.00 0.68 N ATOM 677 NH2 ARG A 294 -9.660 -8.104 -5.651 1.00 0.58 N ATOM 0 H ARG A 294 -7.936 -9.694 -0.759 1.00 0.31 H new ATOM 0 HA ARG A 294 -6.330 -12.099 -0.914 1.00 0.32 H new ATOM 0 HB2 ARG A 294 -6.721 -9.662 -2.665 1.00 0.35 H new ATOM 0 HB3 ARG A 294 -5.489 -10.857 -3.020 1.00 0.35 H new ATOM 0 HG2 ARG A 294 -7.147 -12.609 -3.271 1.00 0.41 H new ATOM 0 HG3 ARG A 294 -8.420 -11.573 -2.657 1.00 0.41 H new ATOM 0 HD2 ARG A 294 -6.837 -10.989 -5.184 1.00 0.44 H new ATOM 0 HD3 ARG A 294 -8.374 -11.832 -5.170 1.00 0.44 H new ATOM 0 HE ARG A 294 -8.551 -9.298 -3.767 1.00 0.43 H new ATOM 0 HH11 ARG A 294 -8.494 -10.801 -6.967 1.00 0.68 H new ATOM 0 HH12 ARG A 294 -9.391 -9.483 -7.729 1.00 0.68 H new ATOM 0 HH21 ARG A 294 -9.722 -7.620 -4.755 1.00 0.58 H new ATOM 0 HH22 ARG A 294 -10.082 -7.692 -6.484 1.00 0.58 H new ATOM 691 N ILE A 295 -5.049 -9.340 0.150 1.00 0.26 N ATOM 692 CA ILE A 295 -3.856 -8.742 0.730 1.00 0.25 C ATOM 693 C ILE A 295 -3.679 -9.255 2.153 1.00 0.25 C ATOM 694 O ILE A 295 -4.654 -9.366 2.898 1.00 0.29 O ATOM 695 CB ILE A 295 -3.927 -7.196 0.735 1.00 0.25 C ATOM 696 CG1 ILE A 295 -4.233 -6.672 -0.673 1.00 0.27 C ATOM 697 CG2 ILE A 295 -2.617 -6.602 1.251 1.00 0.27 C ATOM 698 CD1 ILE A 295 -4.399 -5.169 -0.744 1.00 0.37 C ATOM 0 H ILE A 295 -5.905 -8.806 0.300 1.00 0.26 H new ATOM 0 HA ILE A 295 -3.002 -9.028 0.116 1.00 0.25 H new ATOM 0 HB ILE A 295 -4.732 -6.889 1.403 1.00 0.25 H new ATOM 0 HG12 ILE A 295 -3.428 -6.971 -1.345 1.00 0.27 H new ATOM 0 HG13 ILE A 295 -5.145 -7.146 -1.037 1.00 0.27 H new ATOM 0 HG21 ILE A 295 -2.685 -5.514 1.248 1.00 0.27 H new ATOM 0 HG22 ILE A 295 -2.435 -6.951 2.267 1.00 0.27 H new ATOM 0 HG23 ILE A 295 -1.796 -6.916 0.606 1.00 0.27 H new ATOM 0 HD11 ILE A 295 -4.613 -4.875 -1.771 1.00 0.37 H new ATOM 0 HD12 ILE A 295 -5.223 -4.863 -0.100 1.00 0.37 H new ATOM 0 HD13 ILE A 295 -3.480 -4.685 -0.412 1.00 0.37 H new ATOM 710 N GLU A 296 -2.449 -9.583 2.520 1.00 0.24 N ATOM 711 CA GLU A 296 -2.158 -10.102 3.849 1.00 0.26 C ATOM 712 C GLU A 296 -0.839 -9.533 4.380 1.00 0.24 C ATOM 713 O GLU A 296 -0.044 -8.979 3.614 1.00 0.22 O ATOM 714 CB GLU A 296 -2.090 -11.632 3.792 1.00 0.31 C ATOM 715 CG GLU A 296 -0.922 -12.156 2.975 1.00 0.36 C ATOM 716 CD GLU A 296 -1.078 -13.611 2.614 1.00 0.49 C ATOM 717 OE1 GLU A 296 -0.621 -14.473 3.391 1.00 0.69 O ATOM 718 OE2 GLU A 296 -1.654 -13.900 1.545 1.00 0.56 O ATOM 0 H GLU A 296 -1.633 -9.499 1.914 1.00 0.24 H new ATOM 0 HA GLU A 296 -2.954 -9.797 4.529 1.00 0.26 H new ATOM 0 HB2 GLU A 296 -2.018 -12.023 4.807 1.00 0.31 H new ATOM 0 HB3 GLU A 296 -3.019 -12.014 3.369 1.00 0.31 H new ATOM 0 HG2 GLU A 296 -0.827 -11.567 2.063 1.00 0.36 H new ATOM 0 HG3 GLU A 296 0.001 -12.022 3.539 1.00 0.36 H new ATOM 725 N PRO A 297 -0.596 -9.634 5.703 1.00 0.26 N ATOM 726 CA PRO A 297 0.645 -9.147 6.308 1.00 0.27 C ATOM 727 C PRO A 297 1.867 -9.803 5.674 1.00 0.27 C ATOM 728 O PRO A 297 1.998 -11.031 5.668 1.00 0.41 O ATOM 729 CB PRO A 297 0.516 -9.549 7.781 1.00 0.32 C ATOM 730 CG PRO A 297 -0.942 -9.716 8.010 1.00 0.34 C ATOM 731 CD PRO A 297 -1.508 -10.211 6.708 1.00 0.32 C ATOM 0 HA PRO A 297 0.782 -8.074 6.170 1.00 0.27 H new ATOM 0 HB2 PRO A 297 1.056 -10.474 7.986 1.00 0.32 H new ATOM 0 HB3 PRO A 297 0.933 -8.784 8.436 1.00 0.32 H new ATOM 0 HG2 PRO A 297 -1.132 -10.427 8.814 1.00 0.34 H new ATOM 0 HG3 PRO A 297 -1.402 -8.772 8.303 1.00 0.34 H new ATOM 0 HD2 PRO A 297 -1.520 -11.300 6.662 1.00 0.32 H new ATOM 0 HD3 PRO A 297 -2.534 -9.874 6.561 1.00 0.32 H new ATOM 739 N GLY A 298 2.748 -8.983 5.123 1.00 0.27 N ATOM 740 CA GLY A 298 3.940 -9.496 4.483 1.00 0.28 C ATOM 741 C GLY A 298 4.006 -9.125 3.017 1.00 0.25 C ATOM 742 O GLY A 298 5.088 -9.090 2.430 1.00 0.29 O ATOM 0 H GLY A 298 2.658 -7.967 5.108 1.00 0.27 H new ATOM 0 HA2 GLY A 298 4.821 -9.108 4.994 1.00 0.28 H new ATOM 0 HA3 GLY A 298 3.966 -10.581 4.583 1.00 0.28 H new ATOM 746 N ASP A 299 2.844 -8.851 2.427 1.00 0.22 N ATOM 747 CA ASP A 299 2.762 -8.474 1.015 1.00 0.22 C ATOM 748 C ASP A 299 3.535 -7.187 0.761 1.00 0.20 C ATOM 749 O ASP A 299 3.496 -6.261 1.574 1.00 0.21 O ATOM 750 CB ASP A 299 1.304 -8.270 0.584 1.00 0.24 C ATOM 751 CG ASP A 299 0.534 -9.567 0.392 1.00 0.27 C ATOM 752 OD1 ASP A 299 1.162 -10.621 0.161 1.00 0.34 O ATOM 753 OD2 ASP A 299 -0.712 -9.534 0.462 1.00 0.28 O ATOM 0 H ASP A 299 1.944 -8.883 2.905 1.00 0.22 H new ATOM 0 HA ASP A 299 3.198 -9.286 0.433 1.00 0.22 H new ATOM 0 HB2 ASP A 299 0.795 -7.664 1.333 1.00 0.24 H new ATOM 0 HB3 ASP A 299 1.286 -7.706 -0.349 1.00 0.24 H new ATOM 758 N MET A 300 4.241 -7.133 -0.355 1.00 0.21 N ATOM 759 CA MET A 300 5.016 -5.951 -0.709 1.00 0.21 C ATOM 760 C MET A 300 4.272 -5.118 -1.747 1.00 0.19 C ATOM 761 O MET A 300 3.809 -5.647 -2.757 1.00 0.21 O ATOM 762 CB MET A 300 6.393 -6.350 -1.246 1.00 0.27 C ATOM 763 CG MET A 300 7.257 -5.162 -1.651 1.00 0.32 C ATOM 764 SD MET A 300 8.990 -5.610 -1.901 1.00 0.50 S ATOM 765 CE MET A 300 8.842 -6.949 -3.085 1.00 1.26 C ATOM 0 H MET A 300 4.295 -7.893 -1.033 1.00 0.21 H new ATOM 0 HA MET A 300 5.153 -5.351 0.191 1.00 0.21 H new ATOM 0 HB2 MET A 300 6.917 -6.927 -0.485 1.00 0.27 H new ATOM 0 HB3 MET A 300 6.262 -7.004 -2.108 1.00 0.27 H new ATOM 0 HG2 MET A 300 6.862 -4.728 -2.570 1.00 0.32 H new ATOM 0 HG3 MET A 300 7.193 -4.393 -0.882 1.00 0.32 H new ATOM 0 HE1 MET A 300 9.704 -6.941 -3.753 1.00 1.26 H new ATOM 0 HE2 MET A 300 8.802 -7.901 -2.555 1.00 1.26 H new ATOM 0 HE3 MET A 300 7.930 -6.820 -3.668 1.00 1.26 H new ATOM 775 N LEU A 301 4.158 -3.824 -1.490 1.00 0.19 N ATOM 776 CA LEU A 301 3.478 -2.919 -2.405 1.00 0.19 C ATOM 777 C LEU A 301 4.438 -2.451 -3.490 1.00 0.20 C ATOM 778 O LEU A 301 5.532 -1.965 -3.192 1.00 0.24 O ATOM 779 CB LEU A 301 2.924 -1.707 -1.653 1.00 0.23 C ATOM 780 CG LEU A 301 1.798 -2.007 -0.660 1.00 0.33 C ATOM 781 CD1 LEU A 301 1.674 -0.885 0.361 1.00 0.48 C ATOM 782 CD2 LEU A 301 0.478 -2.202 -1.391 1.00 0.47 C ATOM 0 H LEU A 301 4.529 -3.375 -0.652 1.00 0.19 H new ATOM 0 HA LEU A 301 2.649 -3.457 -2.864 1.00 0.19 H new ATOM 0 HB2 LEU A 301 3.743 -1.230 -1.114 1.00 0.23 H new ATOM 0 HB3 LEU A 301 2.559 -0.984 -2.383 1.00 0.23 H new ATOM 0 HG LEU A 301 2.043 -2.930 -0.135 1.00 0.33 H new ATOM 0 HD11 LEU A 301 0.869 -1.115 1.059 1.00 0.48 H new ATOM 0 HD12 LEU A 301 2.611 -0.786 0.909 1.00 0.48 H new ATOM 0 HD13 LEU A 301 1.453 0.051 -0.152 1.00 0.48 H new ATOM 0 HD21 LEU A 301 -0.310 -2.414 -0.669 1.00 0.47 H new ATOM 0 HD22 LEU A 301 0.230 -1.295 -1.942 1.00 0.47 H new ATOM 0 HD23 LEU A 301 0.567 -3.037 -2.086 1.00 0.47 H new ATOM 794 N LEU A 302 4.032 -2.605 -4.741 1.00 0.20 N ATOM 795 CA LEU A 302 4.863 -2.192 -5.861 1.00 0.22 C ATOM 796 C LEU A 302 4.298 -0.935 -6.505 1.00 0.22 C ATOM 797 O LEU A 302 4.828 0.164 -6.334 1.00 0.29 O ATOM 798 CB LEU A 302 4.960 -3.301 -6.917 1.00 0.27 C ATOM 799 CG LEU A 302 5.435 -4.666 -6.417 1.00 0.37 C ATOM 800 CD1 LEU A 302 5.526 -5.647 -7.578 1.00 0.53 C ATOM 801 CD2 LEU A 302 6.779 -4.543 -5.717 1.00 0.46 C ATOM 0 H LEU A 302 3.135 -3.012 -5.006 1.00 0.20 H new ATOM 0 HA LEU A 302 5.861 -1.987 -5.473 1.00 0.22 H new ATOM 0 HB2 LEU A 302 3.979 -3.426 -7.375 1.00 0.27 H new ATOM 0 HB3 LEU A 302 5.638 -2.968 -7.703 1.00 0.27 H new ATOM 0 HG LEU A 302 4.709 -5.043 -5.696 1.00 0.37 H new ATOM 0 HD11 LEU A 302 5.865 -6.615 -7.210 1.00 0.53 H new ATOM 0 HD12 LEU A 302 4.544 -5.757 -8.039 1.00 0.53 H new ATOM 0 HD13 LEU A 302 6.234 -5.271 -8.317 1.00 0.53 H new ATOM 0 HD21 LEU A 302 7.099 -5.525 -5.369 1.00 0.46 H new ATOM 0 HD22 LEU A 302 7.517 -4.147 -6.414 1.00 0.46 H new ATOM 0 HD23 LEU A 302 6.685 -3.869 -4.866 1.00 0.46 H new ATOM 813 N GLN A 303 3.204 -1.106 -7.227 1.00 0.21 N ATOM 814 CA GLN A 303 2.563 -0.002 -7.916 1.00 0.22 C ATOM 815 C GLN A 303 1.257 0.370 -7.228 1.00 0.21 C ATOM 816 O GLN A 303 0.492 -0.501 -6.803 1.00 0.25 O ATOM 817 CB GLN A 303 2.301 -0.378 -9.376 1.00 0.27 C ATOM 818 CG GLN A 303 1.617 0.716 -10.184 1.00 0.32 C ATOM 819 CD GLN A 303 0.878 0.179 -11.394 1.00 0.51 C ATOM 820 OE1 GLN A 303 -0.149 0.724 -11.795 1.00 0.68 O ATOM 821 NE2 GLN A 303 1.392 -0.887 -11.987 1.00 0.73 N ATOM 0 H GLN A 303 2.739 -2.006 -7.351 1.00 0.21 H new ATOM 0 HA GLN A 303 3.228 0.861 -7.885 1.00 0.22 H new ATOM 0 HB2 GLN A 303 3.249 -0.628 -9.852 1.00 0.27 H new ATOM 0 HB3 GLN A 303 1.684 -1.276 -9.404 1.00 0.27 H new ATOM 0 HG2 GLN A 303 0.915 1.250 -9.543 1.00 0.32 H new ATOM 0 HG3 GLN A 303 2.363 1.440 -10.512 1.00 0.32 H new ATOM 0 HE21 GLN A 303 2.246 -1.311 -11.624 1.00 0.73 H new ATOM 0 HE22 GLN A 303 0.934 -1.285 -12.807 1.00 0.73 H new ATOM 830 N VAL A 304 1.024 1.666 -7.096 1.00 0.20 N ATOM 831 CA VAL A 304 -0.188 2.169 -6.479 1.00 0.21 C ATOM 832 C VAL A 304 -0.780 3.261 -7.353 1.00 0.22 C ATOM 833 O VAL A 304 -0.340 4.409 -7.311 1.00 0.26 O ATOM 834 CB VAL A 304 0.067 2.718 -5.059 1.00 0.24 C ATOM 835 CG1 VAL A 304 -1.207 3.306 -4.470 1.00 0.29 C ATOM 836 CG2 VAL A 304 0.619 1.626 -4.154 1.00 0.27 C ATOM 0 H VAL A 304 1.666 2.393 -7.412 1.00 0.20 H new ATOM 0 HA VAL A 304 -0.887 1.337 -6.386 1.00 0.21 H new ATOM 0 HB VAL A 304 0.808 3.514 -5.131 1.00 0.24 H new ATOM 0 HG11 VAL A 304 -1.003 3.687 -3.469 1.00 0.29 H new ATOM 0 HG12 VAL A 304 -1.559 4.120 -5.103 1.00 0.29 H new ATOM 0 HG13 VAL A 304 -1.973 2.533 -4.415 1.00 0.29 H new ATOM 0 HG21 VAL A 304 0.792 2.032 -3.158 1.00 0.27 H new ATOM 0 HG22 VAL A 304 -0.098 0.807 -4.092 1.00 0.27 H new ATOM 0 HG23 VAL A 304 1.559 1.255 -4.563 1.00 0.27 H new ATOM 846 N ASN A 305 -1.764 2.882 -8.159 1.00 0.27 N ATOM 847 CA ASN A 305 -2.430 3.807 -9.074 1.00 0.33 C ATOM 848 C ASN A 305 -1.444 4.415 -10.070 1.00 0.31 C ATOM 849 O ASN A 305 -1.072 5.589 -9.959 1.00 0.34 O ATOM 850 CB ASN A 305 -3.165 4.912 -8.309 1.00 0.39 C ATOM 851 CG ASN A 305 -4.564 4.505 -7.892 1.00 0.78 C ATOM 852 OD1 ASN A 305 -4.764 3.927 -6.825 1.00 1.71 O ATOM 853 ND2 ASN A 305 -5.542 4.800 -8.733 1.00 1.14 N ATOM 0 H ASN A 305 -2.124 1.928 -8.199 1.00 0.27 H new ATOM 0 HA ASN A 305 -3.166 3.231 -9.635 1.00 0.33 H new ATOM 0 HB2 ASN A 305 -2.590 5.179 -7.423 1.00 0.39 H new ATOM 0 HB3 ASN A 305 -3.222 5.804 -8.933 1.00 0.39 H new ATOM 0 HD21 ASN A 305 -6.504 4.547 -8.506 1.00 1.14 H new ATOM 0 HD22 ASN A 305 -5.334 5.280 -9.608 1.00 1.14 H new ATOM 860 N ASP A 306 -0.998 3.584 -11.014 1.00 0.32 N ATOM 861 CA ASP A 306 -0.079 3.985 -12.086 1.00 0.35 C ATOM 862 C ASP A 306 1.374 4.129 -11.636 1.00 0.31 C ATOM 863 O ASP A 306 2.270 3.563 -12.260 1.00 0.35 O ATOM 864 CB ASP A 306 -0.537 5.280 -12.756 1.00 0.42 C ATOM 865 CG ASP A 306 -1.227 5.025 -14.073 1.00 0.66 C ATOM 866 OD1 ASP A 306 -0.547 4.590 -15.026 1.00 1.06 O ATOM 867 OD2 ASP A 306 -2.452 5.255 -14.163 1.00 1.11 O ATOM 0 H ASP A 306 -1.267 2.601 -11.058 1.00 0.32 H new ATOM 0 HA ASP A 306 -0.110 3.166 -12.805 1.00 0.35 H new ATOM 0 HB2 ASP A 306 -1.215 5.812 -12.089 1.00 0.42 H new ATOM 0 HB3 ASP A 306 0.324 5.928 -12.918 1.00 0.42 H new ATOM 872 N VAL A 307 1.615 4.883 -10.574 1.00 0.30 N ATOM 873 CA VAL A 307 2.982 5.102 -10.103 1.00 0.29 C ATOM 874 C VAL A 307 3.565 3.876 -9.407 1.00 0.25 C ATOM 875 O VAL A 307 2.932 3.275 -8.538 1.00 0.28 O ATOM 876 CB VAL A 307 3.088 6.321 -9.161 1.00 0.34 C ATOM 877 CG1 VAL A 307 3.110 7.609 -9.965 1.00 0.71 C ATOM 878 CG2 VAL A 307 1.949 6.344 -8.155 1.00 0.53 C ATOM 0 H VAL A 307 0.894 5.350 -10.025 1.00 0.30 H new ATOM 0 HA VAL A 307 3.566 5.300 -11.002 1.00 0.29 H new ATOM 0 HB VAL A 307 4.022 6.235 -8.606 1.00 0.34 H new ATOM 0 HG11 VAL A 307 3.185 8.460 -9.288 1.00 0.71 H new ATOM 0 HG12 VAL A 307 3.968 7.604 -10.637 1.00 0.71 H new ATOM 0 HG13 VAL A 307 2.193 7.690 -10.548 1.00 0.71 H new ATOM 0 HG21 VAL A 307 2.053 7.214 -7.507 1.00 0.53 H new ATOM 0 HG22 VAL A 307 0.997 6.397 -8.684 1.00 0.53 H new ATOM 0 HG23 VAL A 307 1.978 5.437 -7.551 1.00 0.53 H new ATOM 888 N ASN A 308 4.780 3.519 -9.804 1.00 0.25 N ATOM 889 CA ASN A 308 5.487 2.381 -9.231 1.00 0.25 C ATOM 890 C ASN A 308 6.520 2.884 -8.230 1.00 0.24 C ATOM 891 O ASN A 308 7.289 3.795 -8.534 1.00 0.33 O ATOM 892 CB ASN A 308 6.162 1.564 -10.342 1.00 0.33 C ATOM 893 CG ASN A 308 6.715 0.242 -9.845 1.00 0.46 C ATOM 894 OD1 ASN A 308 6.275 -0.284 -8.828 1.00 0.58 O ATOM 895 ND2 ASN A 308 7.682 -0.308 -10.560 1.00 0.74 N ATOM 0 H ASN A 308 5.302 4.009 -10.531 1.00 0.25 H new ATOM 0 HA ASN A 308 4.779 1.732 -8.716 1.00 0.25 H new ATOM 0 HB2 ASN A 308 5.441 1.375 -11.137 1.00 0.33 H new ATOM 0 HB3 ASN A 308 6.971 2.150 -10.778 1.00 0.33 H new ATOM 0 HD21 ASN A 308 8.087 -1.199 -10.271 1.00 0.74 H new ATOM 0 HD22 ASN A 308 8.023 0.158 -11.401 1.00 0.74 H new ATOM 902 N PHE A 309 6.541 2.298 -7.042 1.00 0.22 N ATOM 903 CA PHE A 309 7.463 2.741 -5.998 1.00 0.24 C ATOM 904 C PHE A 309 8.727 1.887 -5.932 1.00 0.26 C ATOM 905 O PHE A 309 9.565 2.088 -5.054 1.00 0.30 O ATOM 906 CB PHE A 309 6.764 2.728 -4.639 1.00 0.28 C ATOM 907 CG PHE A 309 5.592 3.662 -4.554 1.00 0.26 C ATOM 908 CD1 PHE A 309 5.718 4.990 -4.930 1.00 0.29 C ATOM 909 CD2 PHE A 309 4.364 3.213 -4.099 1.00 0.31 C ATOM 910 CE1 PHE A 309 4.644 5.850 -4.853 1.00 0.33 C ATOM 911 CE2 PHE A 309 3.284 4.070 -4.020 1.00 0.33 C ATOM 912 CZ PHE A 309 3.423 5.390 -4.399 1.00 0.33 C ATOM 0 H PHE A 309 5.937 1.521 -6.775 1.00 0.22 H new ATOM 0 HA PHE A 309 7.767 3.756 -6.252 1.00 0.24 H new ATOM 0 HB2 PHE A 309 6.426 1.714 -4.424 1.00 0.28 H new ATOM 0 HB3 PHE A 309 7.486 2.994 -3.867 1.00 0.28 H new ATOM 0 HD1 PHE A 309 6.669 5.355 -5.288 1.00 0.29 H new ATOM 0 HD2 PHE A 309 4.249 2.181 -3.802 1.00 0.31 H new ATOM 0 HE1 PHE A 309 4.757 6.883 -5.147 1.00 0.33 H new ATOM 0 HE2 PHE A 309 2.332 3.708 -3.662 1.00 0.33 H new ATOM 0 HZ PHE A 309 2.579 6.062 -4.341 1.00 0.33 H new ATOM 922 N GLU A 310 8.876 0.952 -6.863 1.00 0.29 N ATOM 923 CA GLU A 310 10.049 0.074 -6.889 1.00 0.33 C ATOM 924 C GLU A 310 11.335 0.857 -7.148 1.00 0.35 C ATOM 925 O GLU A 310 12.429 0.399 -6.817 1.00 0.47 O ATOM 926 CB GLU A 310 9.887 -1.002 -7.959 1.00 0.40 C ATOM 927 CG GLU A 310 8.807 -2.020 -7.644 1.00 0.54 C ATOM 928 CD GLU A 310 8.783 -3.150 -8.644 1.00 0.67 C ATOM 929 OE1 GLU A 310 8.406 -2.910 -9.806 1.00 1.04 O ATOM 930 OE2 GLU A 310 9.161 -4.283 -8.280 1.00 1.21 O ATOM 0 H GLU A 310 8.203 0.779 -7.610 1.00 0.29 H new ATOM 0 HA GLU A 310 10.124 -0.394 -5.907 1.00 0.33 H new ATOM 0 HB2 GLU A 310 9.656 -0.523 -8.911 1.00 0.40 H new ATOM 0 HB3 GLU A 310 10.837 -1.521 -8.086 1.00 0.40 H new ATOM 0 HG2 GLU A 310 8.971 -2.424 -6.645 1.00 0.54 H new ATOM 0 HG3 GLU A 310 7.836 -1.526 -7.633 1.00 0.54 H new ATOM 937 N ASN A 311 11.198 2.032 -7.741 1.00 0.35 N ATOM 938 CA ASN A 311 12.355 2.865 -8.053 1.00 0.41 C ATOM 939 C ASN A 311 12.427 4.070 -7.128 1.00 0.37 C ATOM 940 O ASN A 311 13.048 5.077 -7.459 1.00 0.48 O ATOM 941 CB ASN A 311 12.299 3.349 -9.504 1.00 0.54 C ATOM 942 CG ASN A 311 12.770 2.299 -10.493 1.00 0.89 C ATOM 943 OD1 ASN A 311 12.561 1.104 -10.295 1.00 1.27 O ATOM 944 ND2 ASN A 311 13.405 2.738 -11.568 1.00 1.32 N ATOM 0 H ASN A 311 10.301 2.432 -8.016 1.00 0.35 H new ATOM 0 HA ASN A 311 13.245 2.253 -7.910 1.00 0.41 H new ATOM 0 HB2 ASN A 311 11.276 3.637 -9.747 1.00 0.54 H new ATOM 0 HB3 ASN A 311 12.915 4.242 -9.608 1.00 0.54 H new ATOM 0 HD21 ASN A 311 13.740 2.076 -12.268 1.00 1.32 H new ATOM 0 HD22 ASN A 311 13.559 3.738 -11.696 1.00 1.32 H new ATOM 951 N MET A 312 11.796 3.965 -5.968 1.00 0.30 N ATOM 952 CA MET A 312 11.785 5.061 -5.010 1.00 0.28 C ATOM 953 C MET A 312 12.177 4.578 -3.622 1.00 0.26 C ATOM 954 O MET A 312 12.263 3.374 -3.374 1.00 0.34 O ATOM 955 CB MET A 312 10.399 5.706 -4.968 1.00 0.28 C ATOM 956 CG MET A 312 10.095 6.573 -6.183 1.00 0.39 C ATOM 957 SD MET A 312 8.367 7.085 -6.260 1.00 0.37 S ATOM 958 CE MET A 312 8.203 7.970 -4.710 1.00 0.51 C ATOM 0 H MET A 312 11.286 3.134 -5.668 1.00 0.30 H new ATOM 0 HA MET A 312 12.517 5.802 -5.332 1.00 0.28 H new ATOM 0 HB2 MET A 312 9.645 4.923 -4.893 1.00 0.28 H new ATOM 0 HB3 MET A 312 10.317 6.315 -4.068 1.00 0.28 H new ATOM 0 HG2 MET A 312 10.731 7.458 -6.161 1.00 0.39 H new ATOM 0 HG3 MET A 312 10.347 6.022 -7.089 1.00 0.39 H new ATOM 0 HE1 MET A 312 7.330 8.621 -4.753 1.00 0.51 H new ATOM 0 HE2 MET A 312 8.084 7.257 -3.895 1.00 0.51 H new ATOM 0 HE3 MET A 312 9.096 8.571 -4.538 1.00 0.51 H new ATOM 968 N SER A 313 12.421 5.525 -2.728 1.00 0.26 N ATOM 969 CA SER A 313 12.802 5.222 -1.360 1.00 0.28 C ATOM 970 C SER A 313 11.566 4.870 -0.527 1.00 0.24 C ATOM 971 O SER A 313 10.451 5.272 -0.862 1.00 0.26 O ATOM 972 CB SER A 313 13.536 6.426 -0.763 1.00 0.36 C ATOM 973 OG SER A 313 13.484 7.536 -1.650 1.00 0.97 O ATOM 0 H SER A 313 12.360 6.523 -2.932 1.00 0.26 H new ATOM 0 HA SER A 313 13.468 4.359 -1.351 1.00 0.28 H new ATOM 0 HB2 SER A 313 13.086 6.696 0.192 1.00 0.36 H new ATOM 0 HB3 SER A 313 14.575 6.162 -0.563 1.00 0.36 H new ATOM 0 HG SER A 313 13.266 8.348 -1.146 1.00 0.97 H new ATOM 979 N ASN A 314 11.773 4.119 0.554 1.00 0.26 N ATOM 980 CA ASN A 314 10.680 3.695 1.437 1.00 0.27 C ATOM 981 C ASN A 314 9.842 4.879 1.911 1.00 0.25 C ATOM 982 O ASN A 314 8.616 4.856 1.817 1.00 0.33 O ATOM 983 CB ASN A 314 11.220 2.953 2.666 1.00 0.35 C ATOM 984 CG ASN A 314 11.966 1.676 2.326 1.00 0.37 C ATOM 985 OD1 ASN A 314 11.767 1.076 1.269 1.00 0.45 O ATOM 986 ND2 ASN A 314 12.831 1.251 3.226 1.00 0.48 N ATOM 0 H ASN A 314 12.694 3.788 0.843 1.00 0.26 H new ATOM 0 HA ASN A 314 10.050 3.027 0.850 1.00 0.27 H new ATOM 0 HB2 ASN A 314 11.886 3.617 3.217 1.00 0.35 H new ATOM 0 HB3 ASN A 314 10.389 2.713 3.329 1.00 0.35 H new ATOM 0 HD21 ASN A 314 13.363 0.397 3.058 1.00 0.48 H new ATOM 0 HD22 ASN A 314 12.968 1.776 4.090 1.00 0.48 H new ATOM 993 N ASP A 315 10.511 5.909 2.421 1.00 0.26 N ATOM 994 CA ASP A 315 9.828 7.099 2.926 1.00 0.28 C ATOM 995 C ASP A 315 9.025 7.776 1.820 1.00 0.23 C ATOM 996 O ASP A 315 7.826 8.017 1.968 1.00 0.24 O ATOM 997 CB ASP A 315 10.843 8.084 3.516 1.00 0.37 C ATOM 998 CG ASP A 315 10.189 9.185 4.330 1.00 0.83 C ATOM 999 OD1 ASP A 315 9.533 10.065 3.741 1.00 1.36 O ATOM 1000 OD2 ASP A 315 10.348 9.190 5.567 1.00 1.40 O ATOM 0 H ASP A 315 11.528 5.945 2.496 1.00 0.26 H new ATOM 0 HA ASP A 315 9.138 6.787 3.710 1.00 0.28 H new ATOM 0 HB2 ASP A 315 11.546 7.540 4.147 1.00 0.37 H new ATOM 0 HB3 ASP A 315 11.421 8.531 2.707 1.00 0.37 H new ATOM 1005 N ASP A 316 9.693 8.057 0.705 1.00 0.23 N ATOM 1006 CA ASP A 316 9.060 8.711 -0.439 1.00 0.24 C ATOM 1007 C ASP A 316 7.862 7.909 -0.937 1.00 0.19 C ATOM 1008 O ASP A 316 6.861 8.478 -1.374 1.00 0.20 O ATOM 1009 CB ASP A 316 10.065 8.889 -1.583 1.00 0.32 C ATOM 1010 CG ASP A 316 11.195 9.838 -1.236 1.00 0.50 C ATOM 1011 OD1 ASP A 316 12.107 9.429 -0.485 1.00 0.88 O ATOM 1012 OD2 ASP A 316 11.185 10.991 -1.718 1.00 0.69 O ATOM 0 H ASP A 316 10.680 7.840 0.568 1.00 0.23 H new ATOM 0 HA ASP A 316 8.714 9.690 -0.108 1.00 0.24 H new ATOM 0 HB2 ASP A 316 10.482 7.917 -1.847 1.00 0.32 H new ATOM 0 HB3 ASP A 316 9.542 9.262 -2.464 1.00 0.32 H new ATOM 1017 N ALA A 317 7.973 6.587 -0.867 1.00 0.17 N ATOM 1018 CA ALA A 317 6.908 5.693 -1.305 1.00 0.16 C ATOM 1019 C ALA A 317 5.619 5.939 -0.527 1.00 0.14 C ATOM 1020 O ALA A 317 4.551 6.106 -1.115 1.00 0.17 O ATOM 1021 CB ALA A 317 7.346 4.242 -1.156 1.00 0.20 C ATOM 0 H ALA A 317 8.798 6.107 -0.507 1.00 0.17 H new ATOM 0 HA ALA A 317 6.708 5.899 -2.356 1.00 0.16 H new ATOM 0 HB1 ALA A 317 6.542 3.584 -1.486 1.00 0.20 H new ATOM 0 HB2 ALA A 317 8.233 4.065 -1.764 1.00 0.20 H new ATOM 0 HB3 ALA A 317 7.576 4.037 -0.111 1.00 0.20 H new ATOM 1027 N VAL A 318 5.721 5.980 0.796 1.00 0.12 N ATOM 1028 CA VAL A 318 4.545 6.196 1.630 1.00 0.12 C ATOM 1029 C VAL A 318 4.035 7.626 1.507 1.00 0.11 C ATOM 1030 O VAL A 318 2.846 7.878 1.704 1.00 0.14 O ATOM 1031 CB VAL A 318 4.794 5.871 3.118 1.00 0.15 C ATOM 1032 CG1 VAL A 318 3.487 5.494 3.795 1.00 0.18 C ATOM 1033 CG2 VAL A 318 5.817 4.755 3.267 1.00 0.21 C ATOM 0 H VAL A 318 6.595 5.868 1.310 1.00 0.12 H new ATOM 0 HA VAL A 318 3.789 5.504 1.258 1.00 0.12 H new ATOM 0 HB VAL A 318 5.197 6.760 3.603 1.00 0.15 H new ATOM 0 HG11 VAL A 318 3.673 5.266 4.845 1.00 0.18 H new ATOM 0 HG12 VAL A 318 2.787 6.326 3.723 1.00 0.18 H new ATOM 0 HG13 VAL A 318 3.062 4.619 3.304 1.00 0.18 H new ATOM 0 HG21 VAL A 318 5.975 4.545 4.325 1.00 0.21 H new ATOM 0 HG22 VAL A 318 5.451 3.857 2.769 1.00 0.21 H new ATOM 0 HG23 VAL A 318 6.759 5.062 2.814 1.00 0.21 H new ATOM 1043 N ARG A 319 4.930 8.557 1.179 1.00 0.12 N ATOM 1044 CA ARG A 319 4.546 9.958 1.015 1.00 0.16 C ATOM 1045 C ARG A 319 3.436 10.066 -0.020 1.00 0.14 C ATOM 1046 O ARG A 319 2.377 10.639 0.241 1.00 0.22 O ATOM 1047 CB ARG A 319 5.731 10.816 0.567 1.00 0.21 C ATOM 1048 CG ARG A 319 6.802 11.006 1.628 1.00 0.35 C ATOM 1049 CD ARG A 319 7.875 11.972 1.149 1.00 0.40 C ATOM 1050 NE ARG A 319 9.055 11.961 2.011 1.00 0.50 N ATOM 1051 CZ ARG A 319 10.105 12.768 1.857 1.00 0.61 C ATOM 1052 NH1 ARG A 319 10.154 13.622 0.842 1.00 0.83 N ATOM 1053 NH2 ARG A 319 11.114 12.708 2.718 1.00 0.81 N ATOM 0 H ARG A 319 5.920 8.368 1.022 1.00 0.12 H new ATOM 0 HA ARG A 319 4.201 10.325 1.982 1.00 0.16 H new ATOM 0 HB2 ARG A 319 6.184 10.358 -0.312 1.00 0.21 H new ATOM 0 HB3 ARG A 319 5.361 11.795 0.262 1.00 0.21 H new ATOM 0 HG2 ARG A 319 6.349 11.385 2.544 1.00 0.35 H new ATOM 0 HG3 ARG A 319 7.255 10.044 1.870 1.00 0.35 H new ATOM 0 HD2 ARG A 319 8.168 11.711 0.132 1.00 0.40 H new ATOM 0 HD3 ARG A 319 7.463 12.981 1.113 1.00 0.40 H new ATOM 0 HE ARG A 319 9.077 11.292 2.781 1.00 0.50 H new ATOM 0 HH11 ARG A 319 9.385 13.664 0.173 1.00 0.83 H new ATOM 0 HH12 ARG A 319 10.961 14.236 0.731 1.00 0.83 H new ATOM 0 HH21 ARG A 319 11.084 12.046 3.494 1.00 0.81 H new ATOM 0 HH22 ARG A 319 11.919 13.324 2.604 1.00 0.81 H new ATOM 1067 N VAL A 320 3.683 9.478 -1.183 1.00 0.10 N ATOM 1068 CA VAL A 320 2.721 9.491 -2.276 1.00 0.10 C ATOM 1069 C VAL A 320 1.536 8.588 -1.950 1.00 0.09 C ATOM 1070 O VAL A 320 0.393 8.912 -2.270 1.00 0.11 O ATOM 1071 CB VAL A 320 3.364 9.029 -3.601 1.00 0.14 C ATOM 1072 CG1 VAL A 320 2.467 9.370 -4.781 1.00 0.17 C ATOM 1073 CG2 VAL A 320 4.742 9.647 -3.778 1.00 0.17 C ATOM 0 H VAL A 320 4.549 8.982 -1.394 1.00 0.10 H new ATOM 0 HA VAL A 320 2.378 10.519 -2.397 1.00 0.10 H new ATOM 0 HB VAL A 320 3.481 7.946 -3.562 1.00 0.14 H new ATOM 0 HG11 VAL A 320 2.939 9.036 -5.705 1.00 0.17 H new ATOM 0 HG12 VAL A 320 1.505 8.871 -4.663 1.00 0.17 H new ATOM 0 HG13 VAL A 320 2.313 10.448 -4.821 1.00 0.17 H new ATOM 0 HG21 VAL A 320 5.175 9.307 -4.719 1.00 0.17 H new ATOM 0 HG22 VAL A 320 4.655 10.733 -3.791 1.00 0.17 H new ATOM 0 HG23 VAL A 320 5.385 9.344 -2.952 1.00 0.17 H new ATOM 1083 N LEU A 321 1.822 7.466 -1.296 1.00 0.08 N ATOM 1084 CA LEU A 321 0.790 6.506 -0.914 1.00 0.09 C ATOM 1085 C LEU A 321 -0.312 7.189 -0.113 1.00 0.09 C ATOM 1086 O LEU A 321 -1.489 7.102 -0.460 1.00 0.10 O ATOM 1087 CB LEU A 321 1.397 5.370 -0.083 1.00 0.11 C ATOM 1088 CG LEU A 321 0.494 4.153 0.142 1.00 0.20 C ATOM 1089 CD1 LEU A 321 -0.139 3.702 -1.160 1.00 0.38 C ATOM 1090 CD2 LEU A 321 1.289 3.017 0.766 1.00 0.29 C ATOM 0 H LEU A 321 2.766 7.198 -1.018 1.00 0.08 H new ATOM 0 HA LEU A 321 0.360 6.093 -1.827 1.00 0.09 H new ATOM 0 HB2 LEU A 321 2.311 5.035 -0.573 1.00 0.11 H new ATOM 0 HB3 LEU A 321 1.685 5.770 0.889 1.00 0.11 H new ATOM 0 HG LEU A 321 -0.305 4.441 0.826 1.00 0.20 H new ATOM 0 HD11 LEU A 321 -0.775 2.837 -0.975 1.00 0.38 H new ATOM 0 HD12 LEU A 321 -0.740 4.513 -1.572 1.00 0.38 H new ATOM 0 HD13 LEU A 321 0.643 3.432 -1.870 1.00 0.38 H new ATOM 0 HD21 LEU A 321 0.636 2.158 0.921 1.00 0.29 H new ATOM 0 HD22 LEU A 321 2.106 2.737 0.101 1.00 0.29 H new ATOM 0 HD23 LEU A 321 1.696 3.341 1.724 1.00 0.29 H new ATOM 1102 N ARG A 322 0.083 7.894 0.940 1.00 0.10 N ATOM 1103 CA ARG A 322 -0.870 8.587 1.798 1.00 0.12 C ATOM 1104 C ARG A 322 -1.599 9.683 1.031 1.00 0.13 C ATOM 1105 O ARG A 322 -2.776 9.939 1.278 1.00 0.21 O ATOM 1106 CB ARG A 322 -0.169 9.158 3.031 1.00 0.15 C ATOM 1107 CG ARG A 322 0.547 8.100 3.856 1.00 0.19 C ATOM 1108 CD ARG A 322 0.976 8.642 5.210 1.00 0.34 C ATOM 1109 NE ARG A 322 -0.076 8.510 6.220 1.00 0.49 N ATOM 1110 CZ ARG A 322 -0.374 9.454 7.116 1.00 1.05 C ATOM 1111 NH1 ARG A 322 0.285 10.608 7.122 1.00 1.57 N ATOM 1112 NH2 ARG A 322 -1.331 9.235 8.009 1.00 1.28 N ATOM 0 H ARG A 322 1.058 8.001 1.221 1.00 0.10 H new ATOM 0 HA ARG A 322 -1.613 7.863 2.133 1.00 0.12 H new ATOM 0 HB2 ARG A 322 0.552 9.912 2.715 1.00 0.15 H new ATOM 0 HB3 ARG A 322 -0.904 9.663 3.658 1.00 0.15 H new ATOM 0 HG2 ARG A 322 -0.110 7.242 3.998 1.00 0.19 H new ATOM 0 HG3 ARG A 322 1.422 7.744 3.312 1.00 0.19 H new ATOM 0 HD2 ARG A 322 1.867 8.112 5.545 1.00 0.34 H new ATOM 0 HD3 ARG A 322 1.249 9.692 5.108 1.00 0.34 H new ATOM 0 HE ARG A 322 -0.614 7.644 6.240 1.00 0.49 H new ATOM 0 HH11 ARG A 322 1.024 10.777 6.439 1.00 1.57 H new ATOM 0 HH12 ARG A 322 0.052 11.325 7.809 1.00 1.57 H new ATOM 0 HH21 ARG A 322 -1.835 8.348 8.009 1.00 1.28 H new ATOM 0 HH22 ARG A 322 -1.562 9.953 8.695 1.00 1.28 H new ATOM 1126 N GLU A 323 -0.905 10.312 0.090 1.00 0.12 N ATOM 1127 CA GLU A 323 -1.502 11.368 -0.723 1.00 0.15 C ATOM 1128 C GLU A 323 -2.607 10.798 -1.608 1.00 0.14 C ATOM 1129 O GLU A 323 -3.669 11.402 -1.766 1.00 0.21 O ATOM 1130 CB GLU A 323 -0.435 12.046 -1.585 1.00 0.20 C ATOM 1131 CG GLU A 323 0.441 13.018 -0.815 1.00 0.62 C ATOM 1132 CD GLU A 323 -0.164 14.400 -0.720 1.00 1.27 C ATOM 1133 OE1 GLU A 323 -1.131 14.585 0.047 1.00 1.87 O ATOM 1134 OE2 GLU A 323 0.331 15.315 -1.415 1.00 1.76 O ATOM 0 H GLU A 323 0.070 10.111 -0.130 1.00 0.12 H new ATOM 0 HA GLU A 323 -1.937 12.112 -0.055 1.00 0.15 H new ATOM 0 HB2 GLU A 323 0.196 11.280 -2.036 1.00 0.20 H new ATOM 0 HB3 GLU A 323 -0.923 12.578 -2.401 1.00 0.20 H new ATOM 0 HG2 GLU A 323 0.611 12.630 0.190 1.00 0.62 H new ATOM 0 HG3 GLU A 323 1.415 13.085 -1.299 1.00 0.62 H new ATOM 1141 N ILE A 324 -2.351 9.624 -2.173 1.00 0.12 N ATOM 1142 CA ILE A 324 -3.317 8.958 -3.034 1.00 0.14 C ATOM 1143 C ILE A 324 -4.517 8.473 -2.221 1.00 0.14 C ATOM 1144 O ILE A 324 -5.663 8.647 -2.631 1.00 0.18 O ATOM 1145 CB ILE A 324 -2.674 7.768 -3.784 1.00 0.18 C ATOM 1146 CG1 ILE A 324 -1.564 8.271 -4.710 1.00 0.21 C ATOM 1147 CG2 ILE A 324 -3.721 7.000 -4.577 1.00 0.23 C ATOM 1148 CD1 ILE A 324 -0.745 7.163 -5.339 1.00 0.29 C ATOM 0 H ILE A 324 -1.477 9.113 -2.048 1.00 0.12 H new ATOM 0 HA ILE A 324 -3.657 9.685 -3.772 1.00 0.14 H new ATOM 0 HB ILE A 324 -2.241 7.089 -3.050 1.00 0.18 H new ATOM 0 HG12 ILE A 324 -2.009 8.875 -5.501 1.00 0.21 H new ATOM 0 HG13 ILE A 324 -0.900 8.925 -4.145 1.00 0.21 H new ATOM 0 HG21 ILE A 324 -3.246 6.168 -5.096 1.00 0.23 H new ATOM 0 HG22 ILE A 324 -4.483 6.617 -3.898 1.00 0.23 H new ATOM 0 HG23 ILE A 324 -4.185 7.665 -5.306 1.00 0.23 H new ATOM 0 HD11 ILE A 324 0.021 7.597 -5.981 1.00 0.29 H new ATOM 0 HD12 ILE A 324 -0.270 6.572 -4.556 1.00 0.29 H new ATOM 0 HD13 ILE A 324 -1.396 6.522 -5.933 1.00 0.29 H new ATOM 1160 N VAL A 325 -4.248 7.897 -1.053 1.00 0.11 N ATOM 1161 CA VAL A 325 -5.309 7.385 -0.188 1.00 0.13 C ATOM 1162 C VAL A 325 -6.172 8.525 0.363 1.00 0.16 C ATOM 1163 O VAL A 325 -7.327 8.324 0.735 1.00 0.24 O ATOM 1164 CB VAL A 325 -4.732 6.529 0.972 1.00 0.15 C ATOM 1165 CG1 VAL A 325 -5.840 6.021 1.885 1.00 0.19 C ATOM 1166 CG2 VAL A 325 -3.933 5.359 0.415 1.00 0.16 C ATOM 0 H VAL A 325 -3.306 7.773 -0.683 1.00 0.11 H new ATOM 0 HA VAL A 325 -5.942 6.741 -0.798 1.00 0.13 H new ATOM 0 HB VAL A 325 -4.071 7.163 1.563 1.00 0.15 H new ATOM 0 HG11 VAL A 325 -5.406 5.425 2.688 1.00 0.19 H new ATOM 0 HG12 VAL A 325 -6.377 6.868 2.312 1.00 0.19 H new ATOM 0 HG13 VAL A 325 -6.532 5.406 1.310 1.00 0.19 H new ATOM 0 HG21 VAL A 325 -3.534 4.766 1.238 1.00 0.16 H new ATOM 0 HG22 VAL A 325 -4.582 4.735 -0.200 1.00 0.16 H new ATOM 0 HG23 VAL A 325 -3.111 5.736 -0.193 1.00 0.16 H new ATOM 1176 N SER A 326 -5.619 9.731 0.382 1.00 0.19 N ATOM 1177 CA SER A 326 -6.352 10.890 0.874 1.00 0.24 C ATOM 1178 C SER A 326 -7.236 11.483 -0.222 1.00 0.27 C ATOM 1179 O SER A 326 -7.907 12.495 -0.012 1.00 0.44 O ATOM 1180 CB SER A 326 -5.380 11.951 1.395 1.00 0.32 C ATOM 1181 OG SER A 326 -4.603 11.441 2.466 1.00 0.37 O ATOM 0 H SER A 326 -4.671 9.932 0.064 1.00 0.19 H new ATOM 0 HA SER A 326 -6.993 10.563 1.692 1.00 0.24 H new ATOM 0 HB2 SER A 326 -4.724 12.278 0.588 1.00 0.32 H new ATOM 0 HB3 SER A 326 -5.936 12.827 1.728 1.00 0.32 H new ATOM 0 HG SER A 326 -3.746 11.113 2.121 1.00 0.37 H new ATOM 1187 N GLN A 327 -7.229 10.850 -1.390 1.00 0.27 N ATOM 1188 CA GLN A 327 -8.027 11.310 -2.515 1.00 0.32 C ATOM 1189 C GLN A 327 -9.201 10.370 -2.748 1.00 0.34 C ATOM 1190 O GLN A 327 -9.065 9.154 -2.624 1.00 0.53 O ATOM 1191 CB GLN A 327 -7.166 11.396 -3.774 1.00 0.41 C ATOM 1192 CG GLN A 327 -7.083 12.798 -4.362 1.00 0.63 C ATOM 1193 CD GLN A 327 -6.510 13.820 -3.392 1.00 0.75 C ATOM 1194 OE1 GLN A 327 -6.882 14.991 -3.425 1.00 1.16 O ATOM 1195 NE2 GLN A 327 -5.593 13.397 -2.533 1.00 0.94 N ATOM 0 H GLN A 327 -6.677 10.014 -1.580 1.00 0.27 H new ATOM 0 HA GLN A 327 -8.413 12.303 -2.285 1.00 0.32 H new ATOM 0 HB2 GLN A 327 -6.159 11.049 -3.540 1.00 0.41 H new ATOM 0 HB3 GLN A 327 -7.569 10.719 -4.527 1.00 0.41 H new ATOM 0 HG2 GLN A 327 -6.466 12.773 -5.260 1.00 0.63 H new ATOM 0 HG3 GLN A 327 -8.079 13.116 -4.669 1.00 0.63 H new ATOM 0 HE21 GLN A 327 -5.307 12.418 -2.533 1.00 0.94 H new ATOM 0 HE22 GLN A 327 -5.173 14.051 -1.872 1.00 0.94 H new ATOM 1204 N THR A 328 -10.349 10.934 -3.082 1.00 0.42 N ATOM 1205 CA THR A 328 -11.547 10.141 -3.319 1.00 0.49 C ATOM 1206 C THR A 328 -11.571 9.565 -4.733 1.00 0.51 C ATOM 1207 O THR A 328 -11.639 10.304 -5.719 1.00 0.84 O ATOM 1208 CB THR A 328 -12.813 10.985 -3.089 1.00 0.66 C ATOM 1209 OG1 THR A 328 -12.644 12.285 -3.671 1.00 0.88 O ATOM 1210 CG2 THR A 328 -13.106 11.128 -1.605 1.00 0.89 C ATOM 0 H THR A 328 -10.479 11.939 -3.196 1.00 0.42 H new ATOM 0 HA THR A 328 -11.529 9.314 -2.610 1.00 0.49 H new ATOM 0 HB THR A 328 -13.653 10.477 -3.563 1.00 0.66 H new ATOM 0 HG1 THR A 328 -12.282 12.193 -4.577 1.00 0.88 H new ATOM 0 HG21 THR A 328 -14.005 11.729 -1.468 1.00 0.89 H new ATOM 0 HG22 THR A 328 -13.258 10.141 -1.167 1.00 0.89 H new ATOM 0 HG23 THR A 328 -12.265 11.617 -1.114 1.00 0.89 H new ATOM 1218 N GLY A 329 -11.511 8.244 -4.826 1.00 0.45 N ATOM 1219 CA GLY A 329 -11.537 7.586 -6.114 1.00 0.44 C ATOM 1220 C GLY A 329 -11.196 6.112 -6.007 1.00 0.39 C ATOM 1221 O GLY A 329 -11.123 5.575 -4.903 1.00 0.43 O ATOM 0 H GLY A 329 -11.444 7.614 -4.026 1.00 0.45 H new ATOM 0 HA2 GLY A 329 -12.526 7.698 -6.558 1.00 0.44 H new ATOM 0 HA3 GLY A 329 -10.830 8.074 -6.785 1.00 0.44 H new ATOM 1225 N PRO A 330 -11.003 5.428 -7.144 1.00 0.40 N ATOM 1226 CA PRO A 330 -10.661 4.013 -7.175 1.00 0.39 C ATOM 1227 C PRO A 330 -9.167 3.788 -6.987 1.00 0.36 C ATOM 1228 O PRO A 330 -8.352 4.228 -7.803 1.00 0.56 O ATOM 1229 CB PRO A 330 -11.106 3.560 -8.577 1.00 0.47 C ATOM 1230 CG PRO A 330 -11.583 4.787 -9.294 1.00 0.58 C ATOM 1231 CD PRO A 330 -11.114 5.974 -8.498 1.00 0.52 C ATOM 0 HA PRO A 330 -11.141 3.457 -6.370 1.00 0.39 H new ATOM 0 HB2 PRO A 330 -10.279 3.095 -9.114 1.00 0.47 H new ATOM 0 HB3 PRO A 330 -11.901 2.817 -8.510 1.00 0.47 H new ATOM 0 HG2 PRO A 330 -11.184 4.821 -10.308 1.00 0.58 H new ATOM 0 HG3 PRO A 330 -12.670 4.785 -9.379 1.00 0.58 H new ATOM 0 HD2 PRO A 330 -10.159 6.354 -8.861 1.00 0.52 H new ATOM 0 HD3 PRO A 330 -11.824 6.800 -8.545 1.00 0.52 H new ATOM 1239 N ILE A 331 -8.809 3.110 -5.910 1.00 0.27 N ATOM 1240 CA ILE A 331 -7.413 2.839 -5.621 1.00 0.25 C ATOM 1241 C ILE A 331 -7.025 1.432 -6.072 1.00 0.25 C ATOM 1242 O ILE A 331 -7.577 0.437 -5.595 1.00 0.30 O ATOM 1243 CB ILE A 331 -7.105 3.022 -4.119 1.00 0.29 C ATOM 1244 CG1 ILE A 331 -7.381 4.470 -3.701 1.00 0.31 C ATOM 1245 CG2 ILE A 331 -5.664 2.642 -3.816 1.00 0.37 C ATOM 1246 CD1 ILE A 331 -7.109 4.746 -2.239 1.00 0.35 C ATOM 0 H ILE A 331 -9.465 2.738 -5.223 1.00 0.27 H new ATOM 0 HA ILE A 331 -6.818 3.560 -6.181 1.00 0.25 H new ATOM 0 HB ILE A 331 -7.755 2.362 -3.546 1.00 0.29 H new ATOM 0 HG12 ILE A 331 -6.767 5.136 -4.307 1.00 0.31 H new ATOM 0 HG13 ILE A 331 -8.422 4.709 -3.919 1.00 0.31 H new ATOM 0 HG21 ILE A 331 -5.468 2.778 -2.753 1.00 0.37 H new ATOM 0 HG22 ILE A 331 -5.499 1.599 -4.085 1.00 0.37 H new ATOM 0 HG23 ILE A 331 -4.991 3.276 -4.393 1.00 0.37 H new ATOM 0 HD11 ILE A 331 -7.327 5.791 -2.019 1.00 0.35 H new ATOM 0 HD12 ILE A 331 -7.742 4.106 -1.624 1.00 0.35 H new ATOM 0 HD13 ILE A 331 -6.062 4.540 -2.019 1.00 0.35 H new ATOM 1258 N SER A 332 -6.085 1.363 -7.004 1.00 0.28 N ATOM 1259 CA SER A 332 -5.607 0.096 -7.527 1.00 0.31 C ATOM 1260 C SER A 332 -4.255 -0.253 -6.914 1.00 0.27 C ATOM 1261 O SER A 332 -3.243 0.394 -7.198 1.00 0.31 O ATOM 1262 CB SER A 332 -5.501 0.164 -9.051 1.00 0.41 C ATOM 1263 OG SER A 332 -5.644 1.499 -9.512 1.00 1.09 O ATOM 0 H SER A 332 -5.636 2.181 -7.416 1.00 0.28 H new ATOM 0 HA SER A 332 -6.319 -0.686 -7.261 1.00 0.31 H new ATOM 0 HB2 SER A 332 -4.538 -0.233 -9.370 1.00 0.41 H new ATOM 0 HB3 SER A 332 -6.270 -0.464 -9.501 1.00 0.41 H new ATOM 0 HG SER A 332 -5.571 1.517 -10.489 1.00 1.09 H new ATOM 1269 N LEU A 333 -4.245 -1.271 -6.066 1.00 0.27 N ATOM 1270 CA LEU A 333 -3.019 -1.696 -5.410 1.00 0.26 C ATOM 1271 C LEU A 333 -2.416 -2.911 -6.096 1.00 0.26 C ATOM 1272 O LEU A 333 -3.080 -3.935 -6.262 1.00 0.30 O ATOM 1273 CB LEU A 333 -3.277 -2.030 -3.939 1.00 0.29 C ATOM 1274 CG LEU A 333 -3.755 -0.869 -3.065 1.00 0.27 C ATOM 1275 CD1 LEU A 333 -3.992 -1.345 -1.643 1.00 0.48 C ATOM 1276 CD2 LEU A 333 -2.744 0.264 -3.079 1.00 0.39 C ATOM 0 H LEU A 333 -5.070 -1.816 -5.817 1.00 0.27 H new ATOM 0 HA LEU A 333 -2.315 -0.866 -5.477 1.00 0.26 H new ATOM 0 HB2 LEU A 333 -4.021 -2.825 -3.892 1.00 0.29 H new ATOM 0 HB3 LEU A 333 -2.357 -2.428 -3.510 1.00 0.29 H new ATOM 0 HG LEU A 333 -4.695 -0.496 -3.472 1.00 0.27 H new ATOM 0 HD11 LEU A 333 -4.332 -0.509 -1.031 1.00 0.48 H new ATOM 0 HD12 LEU A 333 -4.751 -2.127 -1.643 1.00 0.48 H new ATOM 0 HD13 LEU A 333 -3.063 -1.741 -1.232 1.00 0.48 H new ATOM 0 HD21 LEU A 333 -3.103 1.080 -2.451 1.00 0.39 H new ATOM 0 HD22 LEU A 333 -1.789 -0.096 -2.696 1.00 0.39 H new ATOM 0 HD23 LEU A 333 -2.613 0.622 -4.100 1.00 0.39 H new ATOM 1288 N THR A 334 -1.164 -2.790 -6.504 1.00 0.24 N ATOM 1289 CA THR A 334 -0.453 -3.884 -7.136 1.00 0.26 C ATOM 1290 C THR A 334 0.533 -4.472 -6.131 1.00 0.26 C ATOM 1291 O THR A 334 1.609 -3.917 -5.904 1.00 0.28 O ATOM 1292 CB THR A 334 0.292 -3.400 -8.396 1.00 0.31 C ATOM 1293 OG1 THR A 334 -0.388 -2.270 -8.953 1.00 0.50 O ATOM 1294 CG2 THR A 334 0.370 -4.498 -9.441 1.00 0.42 C ATOM 0 H THR A 334 -0.616 -1.935 -6.407 1.00 0.24 H new ATOM 0 HA THR A 334 -1.167 -4.647 -7.446 1.00 0.26 H new ATOM 0 HB THR A 334 1.305 -3.123 -8.105 1.00 0.31 H new ATOM 0 HG1 THR A 334 -0.206 -1.477 -8.407 1.00 0.50 H new ATOM 0 HG21 THR A 334 0.901 -4.128 -10.318 1.00 0.42 H new ATOM 0 HG22 THR A 334 0.903 -5.355 -9.029 1.00 0.42 H new ATOM 0 HG23 THR A 334 -0.637 -4.800 -9.727 1.00 0.42 H new ATOM 1302 N VAL A 335 0.146 -5.577 -5.506 1.00 0.26 N ATOM 1303 CA VAL A 335 0.980 -6.211 -4.495 1.00 0.28 C ATOM 1304 C VAL A 335 1.769 -7.388 -5.054 1.00 0.28 C ATOM 1305 O VAL A 335 1.322 -8.081 -5.971 1.00 0.32 O ATOM 1306 CB VAL A 335 0.140 -6.697 -3.291 1.00 0.30 C ATOM 1307 CG1 VAL A 335 -0.488 -5.519 -2.566 1.00 0.33 C ATOM 1308 CG2 VAL A 335 -0.931 -7.683 -3.741 1.00 0.31 C ATOM 0 H VAL A 335 -0.740 -6.052 -5.682 1.00 0.26 H new ATOM 0 HA VAL A 335 1.682 -5.446 -4.163 1.00 0.28 H new ATOM 0 HB VAL A 335 0.806 -7.211 -2.598 1.00 0.30 H new ATOM 0 HG11 VAL A 335 -1.075 -5.882 -1.722 1.00 0.33 H new ATOM 0 HG12 VAL A 335 0.296 -4.855 -2.203 1.00 0.33 H new ATOM 0 HG13 VAL A 335 -1.137 -4.974 -3.251 1.00 0.33 H new ATOM 0 HG21 VAL A 335 -1.509 -8.011 -2.877 1.00 0.31 H new ATOM 0 HG22 VAL A 335 -1.593 -7.198 -4.458 1.00 0.31 H new ATOM 0 HG23 VAL A 335 -0.457 -8.546 -4.210 1.00 0.31 H new ATOM 1318 N ALA A 336 2.950 -7.595 -4.494 1.00 0.28 N ATOM 1319 CA ALA A 336 3.818 -8.687 -4.895 1.00 0.31 C ATOM 1320 C ALA A 336 3.791 -9.783 -3.845 1.00 0.33 C ATOM 1321 O ALA A 336 4.401 -9.655 -2.781 1.00 0.38 O ATOM 1322 CB ALA A 336 5.242 -8.192 -5.105 1.00 0.34 C ATOM 0 H ALA A 336 3.332 -7.011 -3.750 1.00 0.28 H new ATOM 0 HA ALA A 336 3.454 -9.092 -5.839 1.00 0.31 H new ATOM 0 HB1 ALA A 336 5.877 -9.026 -5.405 1.00 0.34 H new ATOM 0 HB2 ALA A 336 5.251 -7.430 -5.885 1.00 0.34 H new ATOM 0 HB3 ALA A 336 5.619 -7.765 -4.176 1.00 0.34 H new ATOM 1328 N LYS A 337 3.064 -10.846 -4.134 1.00 0.36 N ATOM 1329 CA LYS A 337 2.952 -11.961 -3.213 1.00 0.40 C ATOM 1330 C LYS A 337 3.907 -13.070 -3.626 1.00 0.47 C ATOM 1331 O LYS A 337 3.599 -13.784 -4.600 1.00 0.60 O ATOM 1332 CB LYS A 337 1.511 -12.479 -3.179 1.00 0.41 C ATOM 1333 CG LYS A 337 0.483 -11.396 -2.881 1.00 0.37 C ATOM 1334 CD LYS A 337 -0.929 -11.956 -2.850 1.00 0.41 C ATOM 1335 CE LYS A 337 -1.163 -12.837 -1.632 1.00 0.39 C ATOM 1336 NZ LYS A 337 -1.189 -12.049 -0.372 1.00 0.38 N ATOM 1337 OXT LYS A 337 4.968 -13.217 -2.988 1.00 0.70 O ATOM 0 H LYS A 337 2.541 -10.961 -5.002 1.00 0.36 H new ATOM 0 HA LYS A 337 3.219 -11.623 -2.212 1.00 0.40 H new ATOM 0 HB2 LYS A 337 1.276 -12.938 -4.139 1.00 0.41 H new ATOM 0 HB3 LYS A 337 1.432 -13.261 -2.424 1.00 0.41 H new ATOM 0 HG2 LYS A 337 0.711 -10.931 -1.922 1.00 0.37 H new ATOM 0 HG3 LYS A 337 0.548 -10.614 -3.638 1.00 0.37 H new ATOM 0 HD2 LYS A 337 -1.645 -11.135 -2.847 1.00 0.41 H new ATOM 0 HD3 LYS A 337 -1.110 -12.534 -3.756 1.00 0.41 H new ATOM 0 HE2 LYS A 337 -2.107 -13.370 -1.746 1.00 0.39 H new ATOM 0 HE3 LYS A 337 -0.377 -13.590 -1.573 1.00 0.39 H new ATOM 0 HZ1 LYS A 337 -1.702 -12.581 0.360 1.00 0.38 H new ATOM 0 HZ2 LYS A 337 -0.215 -11.872 -0.053 1.00 0.38 H new ATOM 0 HZ3 LYS A 337 -1.668 -11.141 -0.540 1.00 0.38 H new ATOM 1369 N TRP B 2 0.875 5.094 7.928 1.00 0.14 N ATOM 1370 CA TRP B 2 -0.403 4.394 8.090 1.00 0.13 C ATOM 1371 C TRP B 2 -1.481 5.037 7.228 1.00 0.14 C ATOM 1372 O TRP B 2 -1.526 6.263 7.091 1.00 0.23 O ATOM 1373 CB TRP B 2 -0.863 4.436 9.551 1.00 0.19 C ATOM 1374 CG TRP B 2 -0.340 3.318 10.406 1.00 0.21 C ATOM 1375 CD1 TRP B 2 0.943 3.141 10.828 1.00 0.30 C ATOM 1376 CD2 TRP B 2 -1.100 2.240 10.967 1.00 0.24 C ATOM 1377 NE1 TRP B 2 1.034 2.013 11.603 1.00 0.32 N ATOM 1378 CE2 TRP B 2 -0.206 1.443 11.708 1.00 0.28 C ATOM 1379 CE3 TRP B 2 -2.446 1.867 10.913 1.00 0.32 C ATOM 1380 CZ2 TRP B 2 -0.617 0.302 12.391 1.00 0.33 C ATOM 1381 CZ3 TRP B 2 -2.850 0.734 11.590 1.00 0.40 C ATOM 1382 CH2 TRP B 2 -1.941 -0.038 12.321 1.00 0.39 C ATOM 0 HA TRP B 2 -0.251 3.360 7.781 1.00 0.13 H new ATOM 0 HB2 TRP B 2 -0.553 5.385 9.988 1.00 0.19 H new ATOM 0 HB3 TRP B 2 -1.953 4.415 9.575 1.00 0.19 H new ATOM 0 HD1 TRP B 2 1.769 3.794 10.587 1.00 0.30 H new ATOM 0 HE1 TRP B 2 1.888 1.656 12.032 1.00 0.32 H new ATOM 0 HE3 TRP B 2 -3.157 2.455 10.352 1.00 0.32 H new ATOM 0 HZ2 TRP B 2 0.084 -0.294 12.956 1.00 0.33 H new ATOM 0 HZ3 TRP B 2 -3.888 0.438 11.555 1.00 0.40 H new ATOM 0 HH2 TRP B 2 -2.290 -0.919 12.840 1.00 0.39 H new ATOM 1393 N VAL B 3 -2.332 4.208 6.639 1.00 0.09 N ATOM 1394 CA VAL B 3 -3.438 4.685 5.820 1.00 0.11 C ATOM 1395 C VAL B 3 -4.576 3.687 5.882 1.00 0.14 C ATOM 1396 O VAL B 3 -5.729 4.067 5.605 1.00 0.24 O ATOM 1397 CB VAL B 3 -3.062 4.940 4.339 1.00 0.14 C ATOM 1398 CG1 VAL B 3 -2.827 6.419 4.103 1.00 0.21 C ATOM 1399 CG2 VAL B 3 -1.848 4.129 3.904 1.00 0.11 C ATOM 1400 OXT VAL B 3 -4.315 2.524 6.254 1.00 0.27 O ATOM 0 H VAL B 3 -2.276 3.192 6.714 1.00 0.09 H new ATOM 0 HA VAL B 3 -3.732 5.649 6.234 1.00 0.11 H new ATOM 0 HB VAL B 3 -3.903 4.610 3.729 1.00 0.14 H new ATOM 0 HG11 VAL B 3 -2.564 6.583 3.058 1.00 0.21 H new ATOM 0 HG12 VAL B 3 -3.735 6.974 4.340 1.00 0.21 H new ATOM 0 HG13 VAL B 3 -2.013 6.764 4.741 1.00 0.21 H new ATOM 0 HG21 VAL B 3 -1.624 4.342 2.859 1.00 0.11 H new ATOM 0 HG22 VAL B 3 -0.991 4.398 4.521 1.00 0.11 H new ATOM 0 HG23 VAL B 3 -2.060 3.066 4.020 1.00 0.11 H new