USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 305 ASN : amide:sc= 1.02 K(o=1.1,f=-4.9!) USER MOD Set 1.2: A 332 SER OG : rot 75:sc= 0.0941 USER MOD Set 2.1: A 265 SER OG : rot -152:sc= 1.43 USER MOD Set 2.2: A 282 SER OG : rot 180:sc= 0.324 USER MOD Set 3.1: A 269 GLN :FLIP amide:sc= 0.458 F(o=-0.67,f=0.96) USER MOD Set 3.2: A 279 TYR OH : rot -161:sc= 0.501 USER MOD Set 4.1: A 251 THR OG1 : rot -87:sc= 1.21 USER MOD Set 4.2: A 303 GLN : amide:sc= 0.839 K(o=4,f=2.2) USER MOD Set 4.3: A 334 THR OG1 : rot 145:sc= 1.99 USER MOD Single : A 248 ASN : amide:sc= -0.362 K(o=-0.36,f=-6.5!) USER MOD Single : A 253 THR OG1 : rot 180:sc= 0 USER MOD Single : A 255 ASN : amide:sc= -0.408 K(o=-0.41,f=-7.2!) USER MOD Single : A 256 MET CE :methyl -170:sc= 0 (180deg=-0.116) USER MOD Single : A 259 HIS : no HE2:sc= 1.24 K(o=1.2,f=-5!) USER MOD Single : A 260 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 284 MET CE :methyl 165:sc=-0.00672 (180deg=-0.0537) USER MOD Single : A 285 LYS NZ :NH3+ 160:sc= -0.0415 (180deg=-0.361) USER MOD Single : A 300 MET CE :methyl 135:sc= -0.0794 (180deg=-0.605) USER MOD Single : A 308 ASN : amide:sc= -2.53! K(o=-2.5!,f=-3.9) USER MOD Single : A 311 ASN : amide:sc=-0.00522 K(o=-0.0052,f=-3.6!) USER MOD Single : A 312 MET CE :methyl -124:sc= -0.376 (180deg=-0.801) USER MOD Single : A 313 SER OG : rot -124:sc= -0.387 USER MOD Single : A 314 ASN : amide:sc= 0.564 K(o=0.56,f=-0.8) USER MOD Single : A 326 SER OG : rot 57:sc= 1.16 USER MOD Single : A 327 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 328 THR OG1 : rot 180:sc= 0.0264 USER MOD Single : A 337 LYS NZ :NH3+ 156:sc= 1.08 (180deg=-0.301!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 248 4.201 -13.457 -7.827 1.00 0.52 N ATOM 2 CA ASN A 248 2.799 -13.238 -8.235 1.00 0.49 C ATOM 3 C ASN A 248 2.427 -11.775 -8.047 1.00 0.44 C ATOM 4 O ASN A 248 2.761 -11.170 -7.033 1.00 0.47 O ATOM 5 CB ASN A 248 1.875 -14.144 -7.410 1.00 0.57 C ATOM 6 CG ASN A 248 0.435 -13.669 -7.378 1.00 0.70 C ATOM 7 OD1 ASN A 248 0.021 -12.977 -6.452 1.00 0.99 O ATOM 8 ND2 ASN A 248 -0.346 -14.043 -8.379 1.00 1.26 N ATOM 0 HA ASN A 248 2.683 -13.489 -9.289 1.00 0.49 H new ATOM 0 HB2 ASN A 248 1.908 -15.153 -7.820 1.00 0.57 H new ATOM 0 HB3 ASN A 248 2.253 -14.203 -6.389 1.00 0.57 H new ATOM 0 HD21 ASN A 248 -1.325 -13.756 -8.397 1.00 1.26 H new ATOM 0 HD22 ASN A 248 0.031 -14.618 -9.132 1.00 1.26 H new ATOM 17 N ILE A 249 1.762 -11.202 -9.036 1.00 0.45 N ATOM 18 CA ILE A 249 1.351 -9.807 -8.972 1.00 0.43 C ATOM 19 C ILE A 249 -0.159 -9.686 -9.143 1.00 0.42 C ATOM 20 O ILE A 249 -0.739 -10.260 -10.070 1.00 0.50 O ATOM 21 CB ILE A 249 2.075 -8.958 -10.044 1.00 0.47 C ATOM 22 CG1 ILE A 249 3.563 -8.847 -9.709 1.00 0.54 C ATOM 23 CG2 ILE A 249 1.452 -7.574 -10.152 1.00 0.50 C ATOM 24 CD1 ILE A 249 4.379 -8.157 -10.780 1.00 0.65 C ATOM 0 H ILE A 249 1.494 -11.682 -9.895 1.00 0.45 H new ATOM 0 HA ILE A 249 1.629 -9.425 -7.990 1.00 0.43 H new ATOM 0 HB ILE A 249 1.965 -9.455 -11.008 1.00 0.47 H new ATOM 0 HG12 ILE A 249 3.675 -8.302 -8.772 1.00 0.54 H new ATOM 0 HG13 ILE A 249 3.965 -9.847 -9.546 1.00 0.54 H new ATOM 0 HG21 ILE A 249 1.978 -6.996 -10.912 1.00 0.50 H new ATOM 0 HG22 ILE A 249 0.402 -7.668 -10.430 1.00 0.50 H new ATOM 0 HG23 ILE A 249 1.529 -7.065 -9.191 1.00 0.50 H new ATOM 0 HD11 ILE A 249 5.424 -8.116 -10.472 1.00 0.65 H new ATOM 0 HD12 ILE A 249 4.298 -8.713 -11.714 1.00 0.65 H new ATOM 0 HD13 ILE A 249 4.004 -7.144 -10.927 1.00 0.65 H new ATOM 36 N ILE A 250 -0.798 -8.958 -8.237 1.00 0.39 N ATOM 37 CA ILE A 250 -2.237 -8.769 -8.292 1.00 0.41 C ATOM 38 C ILE A 250 -2.595 -7.291 -8.171 1.00 0.37 C ATOM 39 O ILE A 250 -2.176 -6.621 -7.227 1.00 0.36 O ATOM 40 CB ILE A 250 -2.961 -9.542 -7.163 1.00 0.44 C ATOM 41 CG1 ILE A 250 -2.542 -11.017 -7.147 1.00 0.48 C ATOM 42 CG2 ILE A 250 -4.470 -9.423 -7.323 1.00 0.55 C ATOM 43 CD1 ILE A 250 -3.128 -11.804 -5.991 1.00 0.54 C ATOM 0 H ILE A 250 -0.340 -8.489 -7.455 1.00 0.39 H new ATOM 0 HA ILE A 250 -2.566 -9.156 -9.257 1.00 0.41 H new ATOM 0 HB ILE A 250 -2.672 -9.098 -6.211 1.00 0.44 H new ATOM 0 HG12 ILE A 250 -2.848 -11.483 -8.084 1.00 0.48 H new ATOM 0 HG13 ILE A 250 -1.455 -11.076 -7.101 1.00 0.48 H new ATOM 0 HG21 ILE A 250 -4.965 -9.972 -6.522 1.00 0.55 H new ATOM 0 HG22 ILE A 250 -4.759 -8.373 -7.276 1.00 0.55 H new ATOM 0 HG23 ILE A 250 -4.768 -9.839 -8.286 1.00 0.55 H new ATOM 0 HD11 ILE A 250 -2.788 -12.838 -6.045 1.00 0.54 H new ATOM 0 HD12 ILE A 250 -2.802 -11.364 -5.049 1.00 0.54 H new ATOM 0 HD13 ILE A 250 -4.216 -11.777 -6.047 1.00 0.54 H new ATOM 55 N THR A 251 -3.358 -6.795 -9.135 1.00 0.40 N ATOM 56 CA THR A 251 -3.807 -5.414 -9.126 1.00 0.39 C ATOM 57 C THR A 251 -5.317 -5.376 -8.903 1.00 0.40 C ATOM 58 O THR A 251 -6.091 -5.819 -9.758 1.00 0.48 O ATOM 59 CB THR A 251 -3.465 -4.688 -10.445 1.00 0.46 C ATOM 60 OG1 THR A 251 -2.055 -4.765 -10.701 1.00 0.59 O ATOM 61 CG2 THR A 251 -3.886 -3.228 -10.379 1.00 0.47 C ATOM 0 H THR A 251 -3.680 -7.335 -9.938 1.00 0.40 H new ATOM 0 HA THR A 251 -3.289 -4.898 -8.318 1.00 0.39 H new ATOM 0 HB THR A 251 -4.009 -5.178 -11.253 1.00 0.46 H new ATOM 0 HG1 THR A 251 -1.601 -4.017 -10.260 1.00 0.59 H new ATOM 0 HG21 THR A 251 -3.636 -2.734 -11.318 1.00 0.47 H new ATOM 0 HG22 THR A 251 -4.961 -3.167 -10.212 1.00 0.47 H new ATOM 0 HG23 THR A 251 -3.363 -2.735 -9.560 1.00 0.47 H new ATOM 69 N VAL A 252 -5.731 -4.880 -7.747 1.00 0.36 N ATOM 70 CA VAL A 252 -7.148 -4.804 -7.415 1.00 0.38 C ATOM 71 C VAL A 252 -7.572 -3.376 -7.104 1.00 0.35 C ATOM 72 O VAL A 252 -6.758 -2.549 -6.685 1.00 0.39 O ATOM 73 CB VAL A 252 -7.504 -5.704 -6.210 1.00 0.41 C ATOM 74 CG1 VAL A 252 -7.413 -7.172 -6.594 1.00 0.50 C ATOM 75 CG2 VAL A 252 -6.597 -5.406 -5.021 1.00 0.40 C ATOM 0 H VAL A 252 -5.107 -4.524 -7.023 1.00 0.36 H new ATOM 0 HA VAL A 252 -7.687 -5.157 -8.294 1.00 0.38 H new ATOM 0 HB VAL A 252 -8.531 -5.486 -5.917 1.00 0.41 H new ATOM 0 HG11 VAL A 252 -7.667 -7.790 -5.733 1.00 0.50 H new ATOM 0 HG12 VAL A 252 -8.109 -7.379 -7.407 1.00 0.50 H new ATOM 0 HG13 VAL A 252 -6.398 -7.401 -6.918 1.00 0.50 H new ATOM 0 HG21 VAL A 252 -6.868 -6.052 -4.186 1.00 0.40 H new ATOM 0 HG22 VAL A 252 -5.559 -5.589 -5.300 1.00 0.40 H new ATOM 0 HG23 VAL A 252 -6.715 -4.363 -4.726 1.00 0.40 H new ATOM 85 N THR A 253 -8.845 -3.090 -7.321 1.00 0.39 N ATOM 86 CA THR A 253 -9.386 -1.773 -7.047 1.00 0.40 C ATOM 87 C THR A 253 -10.240 -1.827 -5.787 1.00 0.39 C ATOM 88 O THR A 253 -11.047 -2.745 -5.607 1.00 0.54 O ATOM 89 CB THR A 253 -10.214 -1.226 -8.238 1.00 0.50 C ATOM 90 OG1 THR A 253 -10.657 0.108 -7.961 1.00 0.76 O ATOM 91 CG2 THR A 253 -11.422 -2.109 -8.542 1.00 0.79 C ATOM 0 H THR A 253 -9.524 -3.757 -7.688 1.00 0.39 H new ATOM 0 HA THR A 253 -8.551 -1.089 -6.897 1.00 0.40 H new ATOM 0 HB THR A 253 -9.564 -1.226 -9.113 1.00 0.50 H new ATOM 0 HG1 THR A 253 -11.177 0.444 -8.720 1.00 0.76 H new ATOM 0 HG21 THR A 253 -11.976 -1.691 -9.383 1.00 0.79 H new ATOM 0 HG22 THR A 253 -11.084 -3.114 -8.794 1.00 0.79 H new ATOM 0 HG23 THR A 253 -12.070 -2.153 -7.667 1.00 0.79 H new ATOM 99 N LEU A 254 -10.046 -0.870 -4.902 1.00 0.33 N ATOM 100 CA LEU A 254 -10.797 -0.837 -3.663 1.00 0.35 C ATOM 101 C LEU A 254 -11.801 0.305 -3.660 1.00 0.35 C ATOM 102 O LEU A 254 -11.473 1.442 -4.014 1.00 0.37 O ATOM 103 CB LEU A 254 -9.849 -0.717 -2.471 1.00 0.36 C ATOM 104 CG LEU A 254 -8.841 -1.862 -2.329 1.00 0.39 C ATOM 105 CD1 LEU A 254 -7.914 -1.615 -1.152 1.00 0.46 C ATOM 106 CD2 LEU A 254 -9.558 -3.194 -2.170 1.00 0.45 C ATOM 0 H LEU A 254 -9.378 -0.108 -5.017 1.00 0.33 H new ATOM 0 HA LEU A 254 -11.351 -1.772 -3.579 1.00 0.35 H new ATOM 0 HB2 LEU A 254 -9.301 0.221 -2.555 1.00 0.36 H new ATOM 0 HB3 LEU A 254 -10.442 -0.660 -1.558 1.00 0.36 H new ATOM 0 HG LEU A 254 -8.241 -1.902 -3.238 1.00 0.39 H new ATOM 0 HD11 LEU A 254 -7.206 -2.439 -1.068 1.00 0.46 H new ATOM 0 HD12 LEU A 254 -7.370 -0.683 -1.307 1.00 0.46 H new ATOM 0 HD13 LEU A 254 -8.500 -1.545 -0.236 1.00 0.46 H new ATOM 0 HD21 LEU A 254 -8.823 -3.993 -2.071 1.00 0.45 H new ATOM 0 HD22 LEU A 254 -10.186 -3.165 -1.279 1.00 0.45 H new ATOM 0 HD23 LEU A 254 -10.180 -3.379 -3.046 1.00 0.45 H new ATOM 118 N ASN A 255 -13.031 -0.012 -3.275 1.00 0.40 N ATOM 119 CA ASN A 255 -14.097 0.977 -3.206 1.00 0.44 C ATOM 120 C ASN A 255 -13.862 1.915 -2.029 1.00 0.40 C ATOM 121 O ASN A 255 -13.915 1.495 -0.868 1.00 0.39 O ATOM 122 CB ASN A 255 -15.455 0.284 -3.062 1.00 0.50 C ATOM 123 CG ASN A 255 -16.585 1.253 -2.761 1.00 0.55 C ATOM 124 OD1 ASN A 255 -16.877 1.544 -1.599 1.00 0.52 O ATOM 125 ND2 ASN A 255 -17.225 1.760 -3.801 1.00 0.65 N ATOM 0 H ASN A 255 -13.315 -0.953 -3.004 1.00 0.40 H new ATOM 0 HA ASN A 255 -14.097 1.558 -4.128 1.00 0.44 H new ATOM 0 HB2 ASN A 255 -15.681 -0.255 -3.982 1.00 0.50 H new ATOM 0 HB3 ASN A 255 -15.396 -0.457 -2.264 1.00 0.50 H new ATOM 0 HD21 ASN A 255 -17.991 2.418 -3.657 1.00 0.65 H new ATOM 0 HD22 ASN A 255 -16.952 1.493 -4.747 1.00 0.65 H new ATOM 132 N MET A 256 -13.607 3.179 -2.326 1.00 0.41 N ATOM 133 CA MET A 256 -13.356 4.171 -1.288 1.00 0.41 C ATOM 134 C MET A 256 -14.622 4.952 -0.954 1.00 0.44 C ATOM 135 O MET A 256 -14.564 6.058 -0.420 1.00 0.49 O ATOM 136 CB MET A 256 -12.238 5.124 -1.715 1.00 0.43 C ATOM 137 CG MET A 256 -10.875 4.450 -1.811 1.00 0.45 C ATOM 138 SD MET A 256 -10.413 3.584 -0.297 1.00 0.56 S ATOM 139 CE MET A 256 -10.198 4.961 0.827 1.00 0.63 C ATOM 0 H MET A 256 -13.568 3.544 -3.277 1.00 0.41 H new ATOM 0 HA MET A 256 -13.040 3.642 -0.389 1.00 0.41 H new ATOM 0 HB2 MET A 256 -12.490 5.558 -2.683 1.00 0.43 H new ATOM 0 HB3 MET A 256 -12.179 5.947 -1.002 1.00 0.43 H new ATOM 0 HG2 MET A 256 -10.882 3.743 -2.640 1.00 0.45 H new ATOM 0 HG3 MET A 256 -10.119 5.201 -2.039 1.00 0.45 H new ATOM 0 HE1 MET A 256 -9.742 4.608 1.752 1.00 0.63 H new ATOM 0 HE2 MET A 256 -9.553 5.709 0.367 1.00 0.63 H new ATOM 0 HE3 MET A 256 -11.169 5.405 1.048 1.00 0.63 H new ATOM 149 N GLU A 257 -15.766 4.369 -1.275 1.00 0.46 N ATOM 150 CA GLU A 257 -17.045 4.996 -0.989 1.00 0.51 C ATOM 151 C GLU A 257 -17.566 4.507 0.354 1.00 0.49 C ATOM 152 O GLU A 257 -17.930 5.297 1.222 1.00 0.56 O ATOM 153 CB GLU A 257 -18.058 4.680 -2.093 1.00 0.56 C ATOM 154 CG GLU A 257 -17.843 5.481 -3.368 1.00 0.67 C ATOM 155 CD GLU A 257 -18.113 6.960 -3.181 1.00 0.86 C ATOM 156 OE1 GLU A 257 -18.613 7.350 -2.105 1.00 1.23 O ATOM 157 OE2 GLU A 257 -17.828 7.745 -4.108 1.00 1.27 O ATOM 0 H GLU A 257 -15.834 3.461 -1.735 1.00 0.46 H new ATOM 0 HA GLU A 257 -16.906 6.076 -0.950 1.00 0.51 H new ATOM 0 HB2 GLU A 257 -18.005 3.617 -2.329 1.00 0.56 H new ATOM 0 HB3 GLU A 257 -19.063 4.874 -1.718 1.00 0.56 H new ATOM 0 HG2 GLU A 257 -16.817 5.343 -3.710 1.00 0.67 H new ATOM 0 HG3 GLU A 257 -18.495 5.093 -4.151 1.00 0.67 H new ATOM 164 N ARG A 258 -17.577 3.195 0.523 1.00 0.45 N ATOM 165 CA ARG A 258 -18.051 2.589 1.757 1.00 0.45 C ATOM 166 C ARG A 258 -16.938 2.572 2.805 1.00 0.43 C ATOM 167 O ARG A 258 -17.188 2.402 3.998 1.00 0.63 O ATOM 168 CB ARG A 258 -18.547 1.167 1.485 1.00 0.48 C ATOM 169 CG ARG A 258 -19.211 0.508 2.682 1.00 0.56 C ATOM 170 CD ARG A 258 -19.560 -0.942 2.396 1.00 0.64 C ATOM 171 NE ARG A 258 -19.858 -1.681 3.617 1.00 0.75 N ATOM 172 CZ ARG A 258 -20.145 -2.978 3.653 1.00 0.86 C ATOM 173 NH1 ARG A 258 -20.172 -3.690 2.532 1.00 1.01 N ATOM 174 NH2 ARG A 258 -20.402 -3.565 4.817 1.00 1.06 N ATOM 0 H ARG A 258 -17.262 2.527 -0.181 1.00 0.45 H new ATOM 0 HA ARG A 258 -18.879 3.183 2.144 1.00 0.45 H new ATOM 0 HB2 ARG A 258 -19.255 1.192 0.657 1.00 0.48 H new ATOM 0 HB3 ARG A 258 -17.705 0.554 1.166 1.00 0.48 H new ATOM 0 HG2 ARG A 258 -18.545 0.560 3.543 1.00 0.56 H new ATOM 0 HG3 ARG A 258 -20.116 1.056 2.945 1.00 0.56 H new ATOM 0 HD2 ARG A 258 -20.420 -0.983 1.728 1.00 0.64 H new ATOM 0 HD3 ARG A 258 -18.729 -1.420 1.876 1.00 0.64 H new ATOM 0 HE ARG A 258 -19.845 -1.170 4.500 1.00 0.75 H new ATOM 0 HH11 ARG A 258 -19.972 -3.242 1.638 1.00 1.01 H new ATOM 0 HH12 ARG A 258 -20.393 -4.685 2.565 1.00 1.01 H new ATOM 0 HH21 ARG A 258 -20.379 -3.020 5.679 1.00 1.06 H new ATOM 0 HH22 ARG A 258 -20.623 -4.560 4.848 1.00 1.06 H new ATOM 188 N HIS A 259 -15.708 2.756 2.351 1.00 0.37 N ATOM 189 CA HIS A 259 -14.552 2.763 3.240 1.00 0.35 C ATOM 190 C HIS A 259 -13.855 4.106 3.136 1.00 0.40 C ATOM 191 O HIS A 259 -13.665 4.617 2.037 1.00 0.63 O ATOM 192 CB HIS A 259 -13.575 1.640 2.876 1.00 0.38 C ATOM 193 CG HIS A 259 -14.241 0.345 2.533 1.00 0.46 C ATOM 194 ND1 HIS A 259 -14.441 -0.079 1.235 1.00 0.61 N ATOM 195 CD2 HIS A 259 -14.768 -0.617 3.324 1.00 0.58 C ATOM 196 CE1 HIS A 259 -15.061 -1.243 1.245 1.00 0.76 C ATOM 197 NE2 HIS A 259 -15.271 -1.592 2.498 1.00 0.75 N ATOM 0 H HIS A 259 -15.482 2.903 1.367 1.00 0.37 H new ATOM 0 HA HIS A 259 -14.892 2.598 4.262 1.00 0.35 H new ATOM 0 HB2 HIS A 259 -12.968 1.960 2.030 1.00 0.38 H new ATOM 0 HB3 HIS A 259 -12.895 1.477 3.713 1.00 0.38 H new ATOM 0 HD1 HIS A 259 -14.154 0.429 0.398 1.00 0.61 H new ATOM 0 HD2 HIS A 259 -14.789 -0.618 4.404 1.00 0.58 H new ATOM 0 HE1 HIS A 259 -15.348 -1.813 0.374 1.00 0.76 H new ATOM 206 N HIS A 260 -13.477 4.677 4.268 1.00 0.36 N ATOM 207 CA HIS A 260 -12.822 5.982 4.274 1.00 0.42 C ATOM 208 C HIS A 260 -11.312 5.867 4.469 1.00 0.35 C ATOM 209 O HIS A 260 -10.621 6.875 4.596 1.00 0.42 O ATOM 210 CB HIS A 260 -13.421 6.875 5.366 1.00 0.56 C ATOM 211 CG HIS A 260 -14.835 7.293 5.098 1.00 0.71 C ATOM 212 ND1 HIS A 260 -15.202 8.085 4.030 1.00 0.97 N ATOM 213 CD2 HIS A 260 -15.979 7.023 5.770 1.00 0.88 C ATOM 214 CE1 HIS A 260 -16.505 8.285 4.059 1.00 1.09 C ATOM 215 NE2 HIS A 260 -17.002 7.649 5.103 1.00 1.01 N ATOM 0 H HIS A 260 -13.610 4.264 5.191 1.00 0.36 H new ATOM 0 HA HIS A 260 -12.997 6.433 3.297 1.00 0.42 H new ATOM 0 HB2 HIS A 260 -13.383 6.344 6.317 1.00 0.56 H new ATOM 0 HB3 HIS A 260 -12.803 7.766 5.473 1.00 0.56 H new ATOM 0 HD2 HIS A 260 -16.070 6.426 6.665 1.00 0.88 H new ATOM 0 HE1 HIS A 260 -17.070 8.870 3.349 1.00 1.09 H new ATOM 0 HE2 HIS A 260 -17.986 7.626 5.371 1.00 1.01 H new ATOM 224 N PHE A 261 -10.800 4.644 4.484 1.00 0.30 N ATOM 225 CA PHE A 261 -9.370 4.427 4.665 1.00 0.25 C ATOM 226 C PHE A 261 -8.965 3.049 4.156 1.00 0.21 C ATOM 227 O PHE A 261 -9.820 2.191 3.913 1.00 0.22 O ATOM 228 CB PHE A 261 -8.978 4.600 6.142 1.00 0.28 C ATOM 229 CG PHE A 261 -9.628 3.623 7.090 1.00 0.32 C ATOM 230 CD1 PHE A 261 -10.960 3.760 7.457 1.00 0.52 C ATOM 231 CD2 PHE A 261 -8.896 2.579 7.632 1.00 0.36 C ATOM 232 CE1 PHE A 261 -11.549 2.869 8.336 1.00 0.62 C ATOM 233 CE2 PHE A 261 -9.479 1.689 8.514 1.00 0.44 C ATOM 234 CZ PHE A 261 -10.805 1.836 8.868 1.00 0.52 C ATOM 0 H PHE A 261 -11.349 3.791 4.374 1.00 0.30 H new ATOM 0 HA PHE A 261 -8.834 5.175 4.081 1.00 0.25 H new ATOM 0 HB2 PHE A 261 -7.896 4.503 6.229 1.00 0.28 H new ATOM 0 HB3 PHE A 261 -9.234 5.612 6.455 1.00 0.28 H new ATOM 0 HD1 PHE A 261 -11.544 4.573 7.051 1.00 0.52 H new ATOM 0 HD2 PHE A 261 -7.857 2.459 7.362 1.00 0.36 H new ATOM 0 HE1 PHE A 261 -12.589 2.982 8.605 1.00 0.62 H new ATOM 0 HE2 PHE A 261 -8.897 0.878 8.926 1.00 0.44 H new ATOM 0 HZ PHE A 261 -11.260 1.143 9.561 1.00 0.52 H new ATOM 244 N LEU A 262 -7.664 2.845 4.000 1.00 0.17 N ATOM 245 CA LEU A 262 -7.133 1.580 3.521 1.00 0.14 C ATOM 246 C LEU A 262 -7.126 0.562 4.651 1.00 0.12 C ATOM 247 O LEU A 262 -7.659 -0.541 4.510 1.00 0.14 O ATOM 248 CB LEU A 262 -5.715 1.773 2.966 1.00 0.14 C ATOM 249 CG LEU A 262 -5.635 2.252 1.513 1.00 0.19 C ATOM 250 CD1 LEU A 262 -4.242 2.017 0.953 1.00 0.23 C ATOM 251 CD2 LEU A 262 -6.677 1.561 0.647 1.00 0.34 C ATOM 0 H LEU A 262 -6.953 3.548 4.201 1.00 0.17 H new ATOM 0 HA LEU A 262 -7.770 1.210 2.717 1.00 0.14 H new ATOM 0 HB2 LEU A 262 -5.192 2.492 3.597 1.00 0.14 H new ATOM 0 HB3 LEU A 262 -5.179 0.827 3.048 1.00 0.14 H new ATOM 0 HG LEU A 262 -5.843 3.322 1.501 1.00 0.19 H new ATOM 0 HD11 LEU A 262 -4.202 2.363 -0.080 1.00 0.23 H new ATOM 0 HD12 LEU A 262 -3.513 2.567 1.548 1.00 0.23 H new ATOM 0 HD13 LEU A 262 -4.010 0.952 0.989 1.00 0.23 H new ATOM 0 HD21 LEU A 262 -6.595 1.922 -0.378 1.00 0.34 H new ATOM 0 HD22 LEU A 262 -6.511 0.484 0.667 1.00 0.34 H new ATOM 0 HD23 LEU A 262 -7.673 1.781 1.031 1.00 0.34 H new ATOM 263 N GLY A 263 -6.529 0.945 5.773 1.00 0.11 N ATOM 264 CA GLY A 263 -6.478 0.072 6.925 1.00 0.12 C ATOM 265 C GLY A 263 -5.259 -0.815 6.925 1.00 0.11 C ATOM 266 O GLY A 263 -5.352 -2.002 7.236 1.00 0.14 O ATOM 0 H GLY A 263 -6.078 1.850 5.904 1.00 0.11 H new ATOM 0 HA2 GLY A 263 -6.485 0.674 7.834 1.00 0.12 H new ATOM 0 HA3 GLY A 263 -7.374 -0.548 6.947 1.00 0.12 H new ATOM 270 N ILE A 264 -4.110 -0.250 6.584 1.00 0.09 N ATOM 271 CA ILE A 264 -2.877 -1.018 6.550 1.00 0.09 C ATOM 272 C ILE A 264 -1.688 -0.191 7.016 1.00 0.08 C ATOM 273 O ILE A 264 -1.654 1.035 6.849 1.00 0.11 O ATOM 274 CB ILE A 264 -2.560 -1.562 5.140 1.00 0.12 C ATOM 275 CG1 ILE A 264 -2.856 -0.505 4.071 1.00 0.14 C ATOM 276 CG2 ILE A 264 -3.335 -2.839 4.864 1.00 0.17 C ATOM 277 CD1 ILE A 264 -2.310 -0.850 2.700 1.00 0.18 C ATOM 0 H ILE A 264 -4.007 0.732 6.328 1.00 0.09 H new ATOM 0 HA ILE A 264 -3.038 -1.856 7.229 1.00 0.09 H new ATOM 0 HB ILE A 264 -1.497 -1.798 5.101 1.00 0.12 H new ATOM 0 HG12 ILE A 264 -3.935 -0.368 3.998 1.00 0.14 H new ATOM 0 HG13 ILE A 264 -2.435 0.448 4.390 1.00 0.14 H new ATOM 0 HG21 ILE A 264 -3.094 -3.202 3.865 1.00 0.17 H new ATOM 0 HG22 ILE A 264 -3.064 -3.596 5.600 1.00 0.17 H new ATOM 0 HG23 ILE A 264 -4.404 -2.637 4.929 1.00 0.17 H new ATOM 0 HD11 ILE A 264 -2.560 -0.054 1.998 1.00 0.18 H new ATOM 0 HD12 ILE A 264 -1.227 -0.958 2.756 1.00 0.18 H new ATOM 0 HD13 ILE A 264 -2.750 -1.787 2.358 1.00 0.18 H new ATOM 289 N SER A 265 -0.725 -0.877 7.614 1.00 0.09 N ATOM 290 CA SER A 265 0.494 -0.250 8.086 1.00 0.12 C ATOM 291 C SER A 265 1.597 -0.454 7.057 1.00 0.11 C ATOM 292 O SER A 265 1.804 -1.570 6.572 1.00 0.19 O ATOM 293 CB SER A 265 0.906 -0.852 9.426 1.00 0.20 C ATOM 294 OG SER A 265 0.419 -2.177 9.550 1.00 1.00 O ATOM 0 H SER A 265 -0.769 -1.882 7.784 1.00 0.09 H new ATOM 0 HA SER A 265 0.323 0.818 8.223 1.00 0.12 H new ATOM 0 HB2 SER A 265 1.993 -0.849 9.513 1.00 0.20 H new ATOM 0 HB3 SER A 265 0.519 -0.239 10.240 1.00 0.20 H new ATOM 0 HG SER A 265 0.279 -2.387 10.497 1.00 1.00 H new ATOM 300 N ILE A 266 2.297 0.610 6.718 1.00 0.10 N ATOM 301 CA ILE A 266 3.356 0.523 5.732 1.00 0.11 C ATOM 302 C ILE A 266 4.707 0.345 6.409 1.00 0.13 C ATOM 303 O ILE A 266 5.256 1.285 6.982 1.00 0.28 O ATOM 304 CB ILE A 266 3.387 1.771 4.821 1.00 0.13 C ATOM 305 CG1 ILE A 266 1.967 2.175 4.394 1.00 0.14 C ATOM 306 CG2 ILE A 266 4.250 1.508 3.599 1.00 0.19 C ATOM 307 CD1 ILE A 266 1.177 1.052 3.761 1.00 0.16 C ATOM 0 H ILE A 266 2.153 1.541 7.109 1.00 0.10 H new ATOM 0 HA ILE A 266 3.150 -0.348 5.110 1.00 0.11 H new ATOM 0 HB ILE A 266 3.819 2.596 5.387 1.00 0.13 H new ATOM 0 HG12 ILE A 266 1.426 2.541 5.267 1.00 0.14 H new ATOM 0 HG13 ILE A 266 2.032 3.004 3.689 1.00 0.14 H new ATOM 0 HG21 ILE A 266 4.264 2.395 2.965 1.00 0.19 H new ATOM 0 HG22 ILE A 266 5.266 1.272 3.915 1.00 0.19 H new ATOM 0 HG23 ILE A 266 3.840 0.668 3.038 1.00 0.19 H new ATOM 0 HD11 ILE A 266 0.186 1.414 3.487 1.00 0.16 H new ATOM 0 HD12 ILE A 266 1.695 0.701 2.869 1.00 0.16 H new ATOM 0 HD13 ILE A 266 1.079 0.231 4.471 1.00 0.16 H new ATOM 319 N VAL A 267 5.221 -0.873 6.361 1.00 0.12 N ATOM 320 CA VAL A 267 6.508 -1.184 6.966 1.00 0.14 C ATOM 321 C VAL A 267 7.623 -1.026 5.939 1.00 0.14 C ATOM 322 O VAL A 267 7.740 -1.823 5.005 1.00 0.23 O ATOM 323 CB VAL A 267 6.534 -2.619 7.547 1.00 0.24 C ATOM 324 CG1 VAL A 267 7.896 -2.940 8.150 1.00 0.29 C ATOM 325 CG2 VAL A 267 5.433 -2.789 8.585 1.00 0.31 C ATOM 0 H VAL A 267 4.766 -1.666 5.908 1.00 0.12 H new ATOM 0 HA VAL A 267 6.664 -0.484 7.787 1.00 0.14 H new ATOM 0 HB VAL A 267 6.355 -3.320 6.732 1.00 0.24 H new ATOM 0 HG11 VAL A 267 7.887 -3.954 8.551 1.00 0.29 H new ATOM 0 HG12 VAL A 267 8.663 -2.862 7.379 1.00 0.29 H new ATOM 0 HG13 VAL A 267 8.114 -2.235 8.952 1.00 0.29 H new ATOM 0 HG21 VAL A 267 5.463 -3.803 8.985 1.00 0.31 H new ATOM 0 HG22 VAL A 267 5.583 -2.075 9.395 1.00 0.31 H new ATOM 0 HG23 VAL A 267 4.464 -2.611 8.119 1.00 0.31 H new ATOM 335 N GLY A 268 8.423 0.017 6.101 1.00 0.17 N ATOM 336 CA GLY A 268 9.515 0.265 5.182 1.00 0.23 C ATOM 337 C GLY A 268 10.820 -0.312 5.684 1.00 0.23 C ATOM 338 O GLY A 268 11.420 0.217 6.624 1.00 0.37 O ATOM 0 H GLY A 268 8.335 0.698 6.855 1.00 0.17 H new ATOM 0 HA2 GLY A 268 9.277 -0.168 4.211 1.00 0.23 H new ATOM 0 HA3 GLY A 268 9.627 1.339 5.033 1.00 0.23 H new ATOM 342 N GLN A 269 11.264 -1.399 5.062 1.00 0.27 N ATOM 343 CA GLN A 269 12.503 -2.052 5.460 1.00 0.34 C ATOM 344 C GLN A 269 13.695 -1.138 5.193 1.00 0.38 C ATOM 345 O GLN A 269 14.119 -0.956 4.047 1.00 0.50 O ATOM 346 CB GLN A 269 12.673 -3.386 4.726 1.00 0.49 C ATOM 347 CG GLN A 269 13.971 -4.108 5.066 1.00 0.67 C ATOM 348 CD GLN A 269 14.075 -5.482 4.430 1.00 1.19 C ATOM 349 OE1 GLN A 269 13.472 -5.654 3.263 1.00 1.81 O flip ATOM 350 NE2 GLN A 269 14.692 -6.387 4.989 1.00 1.87 N flip ATOM 0 H GLN A 269 10.784 -1.845 4.281 1.00 0.27 H new ATOM 0 HA GLN A 269 12.455 -2.256 6.530 1.00 0.34 H new ATOM 0 HB2 GLN A 269 11.832 -4.035 4.969 1.00 0.49 H new ATOM 0 HB3 GLN A 269 12.637 -3.207 3.651 1.00 0.49 H new ATOM 0 HG2 GLN A 269 14.814 -3.499 4.740 1.00 0.67 H new ATOM 0 HG3 GLN A 269 14.050 -4.209 6.148 1.00 0.67 H new ATOM 0 HE21 GLN A 269 15.144 -6.217 5.888 1.00 1.87 H new ATOM 0 HE22 GLN A 269 14.752 -7.308 4.554 1.00 1.87 H new ATOM 446 N GLY A 277 12.248 -1.640 0.695 1.00 0.30 N ATOM 447 CA GLY A 277 10.915 -1.562 0.141 1.00 0.29 C ATOM 448 C GLY A 277 9.855 -1.483 1.217 1.00 0.24 C ATOM 449 O GLY A 277 10.152 -1.633 2.407 1.00 0.27 O ATOM 0 HA2 GLY A 277 10.842 -0.687 -0.504 1.00 0.29 H new ATOM 0 HA3 GLY A 277 10.731 -2.435 -0.485 1.00 0.29 H new ATOM 453 N ILE A 278 8.616 -1.256 0.807 1.00 0.21 N ATOM 454 CA ILE A 278 7.510 -1.148 1.745 1.00 0.19 C ATOM 455 C ILE A 278 6.626 -2.391 1.704 1.00 0.18 C ATOM 456 O ILE A 278 6.198 -2.837 0.635 1.00 0.23 O ATOM 457 CB ILE A 278 6.659 0.111 1.470 1.00 0.20 C ATOM 458 CG1 ILE A 278 6.267 0.195 -0.010 1.00 0.23 C ATOM 459 CG2 ILE A 278 7.418 1.363 1.892 1.00 0.23 C ATOM 460 CD1 ILE A 278 5.241 1.270 -0.312 1.00 0.27 C ATOM 0 H ILE A 278 8.351 -1.143 -0.172 1.00 0.21 H new ATOM 0 HA ILE A 278 7.944 -1.062 2.741 1.00 0.19 H new ATOM 0 HB ILE A 278 5.744 0.040 2.058 1.00 0.20 H new ATOM 0 HG12 ILE A 278 7.162 0.383 -0.603 1.00 0.23 H new ATOM 0 HG13 ILE A 278 5.872 -0.770 -0.327 1.00 0.23 H new ATOM 0 HG21 ILE A 278 6.807 2.243 1.693 1.00 0.23 H new ATOM 0 HG22 ILE A 278 7.642 1.311 2.957 1.00 0.23 H new ATOM 0 HG23 ILE A 278 8.348 1.432 1.328 1.00 0.23 H new ATOM 0 HD11 ILE A 278 5.015 1.268 -1.378 1.00 0.27 H new ATOM 0 HD12 ILE A 278 4.330 1.072 0.253 1.00 0.27 H new ATOM 0 HD13 ILE A 278 5.640 2.244 -0.028 1.00 0.27 H new ATOM 472 N TYR A 279 6.368 -2.952 2.876 1.00 0.15 N ATOM 473 CA TYR A 279 5.545 -4.146 2.997 1.00 0.16 C ATOM 474 C TYR A 279 4.321 -3.869 3.851 1.00 0.15 C ATOM 475 O TYR A 279 4.288 -2.905 4.619 1.00 0.18 O ATOM 476 CB TYR A 279 6.336 -5.288 3.639 1.00 0.19 C ATOM 477 CG TYR A 279 7.672 -5.558 2.994 1.00 0.24 C ATOM 478 CD1 TYR A 279 7.776 -6.391 1.889 1.00 0.44 C ATOM 479 CD2 TYR A 279 8.832 -4.989 3.499 1.00 0.42 C ATOM 480 CE1 TYR A 279 8.999 -6.650 1.306 1.00 0.57 C ATOM 481 CE2 TYR A 279 10.060 -5.244 2.923 1.00 0.55 C ATOM 482 CZ TYR A 279 10.138 -6.074 1.826 1.00 0.55 C ATOM 483 OH TYR A 279 11.363 -6.336 1.256 1.00 0.72 O ATOM 0 H TYR A 279 6.720 -2.595 3.764 1.00 0.15 H new ATOM 0 HA TYR A 279 5.236 -4.433 1.992 1.00 0.16 H new ATOM 0 HB2 TYR A 279 6.495 -5.057 4.692 1.00 0.19 H new ATOM 0 HB3 TYR A 279 5.736 -6.197 3.599 1.00 0.19 H new ATOM 0 HD1 TYR A 279 6.885 -6.844 1.479 1.00 0.44 H new ATOM 0 HD2 TYR A 279 8.773 -4.336 4.357 1.00 0.42 H new ATOM 0 HE1 TYR A 279 9.064 -7.301 0.447 1.00 0.57 H new ATOM 0 HE2 TYR A 279 10.954 -4.796 3.330 1.00 0.55 H new ATOM 0 HH TYR A 279 12.074 -6.120 1.895 1.00 0.72 H new ATOM 493 N ILE A 280 3.318 -4.714 3.705 1.00 0.16 N ATOM 494 CA ILE A 280 2.094 -4.595 4.480 1.00 0.16 C ATOM 495 C ILE A 280 2.321 -5.165 5.876 1.00 0.17 C ATOM 496 O ILE A 280 2.602 -6.356 6.025 1.00 0.21 O ATOM 497 CB ILE A 280 0.922 -5.345 3.806 1.00 0.19 C ATOM 498 CG1 ILE A 280 0.678 -4.808 2.392 1.00 0.21 C ATOM 499 CG2 ILE A 280 -0.345 -5.231 4.646 1.00 0.21 C ATOM 500 CD1 ILE A 280 0.327 -3.334 2.349 1.00 0.24 C ATOM 0 H ILE A 280 3.326 -5.497 3.051 1.00 0.16 H new ATOM 0 HA ILE A 280 1.833 -3.539 4.540 1.00 0.16 H new ATOM 0 HB ILE A 280 1.191 -6.399 3.732 1.00 0.19 H new ATOM 0 HG12 ILE A 280 1.571 -4.977 1.790 1.00 0.21 H new ATOM 0 HG13 ILE A 280 -0.129 -5.378 1.931 1.00 0.21 H new ATOM 0 HG21 ILE A 280 -1.157 -5.766 4.154 1.00 0.21 H new ATOM 0 HG22 ILE A 280 -0.169 -5.665 5.630 1.00 0.21 H new ATOM 0 HG23 ILE A 280 -0.616 -4.181 4.755 1.00 0.21 H new ATOM 0 HD11 ILE A 280 0.169 -3.028 1.315 1.00 0.24 H new ATOM 0 HD12 ILE A 280 -0.584 -3.160 2.922 1.00 0.24 H new ATOM 0 HD13 ILE A 280 1.143 -2.753 2.779 1.00 0.24 H new ATOM 512 N GLY A 281 2.227 -4.312 6.886 1.00 0.20 N ATOM 513 CA GLY A 281 2.430 -4.753 8.252 1.00 0.23 C ATOM 514 C GLY A 281 1.248 -5.529 8.790 1.00 0.24 C ATOM 515 O GLY A 281 1.305 -6.752 8.923 1.00 0.42 O ATOM 0 H GLY A 281 2.013 -3.320 6.784 1.00 0.20 H new ATOM 0 HA2 GLY A 281 3.323 -5.376 8.301 1.00 0.23 H new ATOM 0 HA3 GLY A 281 2.612 -3.886 8.887 1.00 0.23 H new ATOM 519 N SER A 282 0.182 -4.816 9.101 1.00 0.25 N ATOM 520 CA SER A 282 -1.029 -5.423 9.627 1.00 0.29 C ATOM 521 C SER A 282 -2.257 -4.823 8.949 1.00 0.26 C ATOM 522 O SER A 282 -2.224 -3.679 8.486 1.00 0.30 O ATOM 523 CB SER A 282 -1.100 -5.223 11.145 1.00 0.35 C ATOM 524 OG SER A 282 -0.425 -4.038 11.544 1.00 0.75 O ATOM 0 H SER A 282 0.130 -3.803 8.997 1.00 0.25 H new ATOM 0 HA SER A 282 -1.009 -6.493 9.418 1.00 0.29 H new ATOM 0 HB2 SER A 282 -2.143 -5.173 11.458 1.00 0.35 H new ATOM 0 HB3 SER A 282 -0.657 -6.083 11.648 1.00 0.35 H new ATOM 0 HG SER A 282 -0.489 -3.937 12.517 1.00 0.75 H new ATOM 530 N ILE A 283 -3.330 -5.602 8.879 1.00 0.24 N ATOM 531 CA ILE A 283 -4.563 -5.147 8.256 1.00 0.23 C ATOM 532 C ILE A 283 -5.606 -4.821 9.316 1.00 0.23 C ATOM 533 O ILE A 283 -5.888 -5.637 10.195 1.00 0.30 O ATOM 534 CB ILE A 283 -5.141 -6.200 7.285 1.00 0.27 C ATOM 535 CG1 ILE A 283 -4.063 -6.664 6.307 1.00 0.32 C ATOM 536 CG2 ILE A 283 -6.332 -5.625 6.528 1.00 0.29 C ATOM 537 CD1 ILE A 283 -4.507 -7.801 5.416 1.00 0.53 C ATOM 0 H ILE A 283 -3.369 -6.553 9.247 1.00 0.24 H new ATOM 0 HA ILE A 283 -4.320 -4.250 7.686 1.00 0.23 H new ATOM 0 HB ILE A 283 -5.480 -7.059 7.863 1.00 0.27 H new ATOM 0 HG12 ILE A 283 -3.761 -5.822 5.685 1.00 0.32 H new ATOM 0 HG13 ILE A 283 -3.183 -6.976 6.870 1.00 0.32 H new ATOM 0 HG21 ILE A 283 -6.729 -6.378 5.848 1.00 0.29 H new ATOM 0 HG22 ILE A 283 -7.107 -5.332 7.237 1.00 0.29 H new ATOM 0 HG23 ILE A 283 -6.014 -4.753 5.957 1.00 0.29 H new ATOM 0 HD11 ILE A 283 -3.692 -8.079 4.748 1.00 0.53 H new ATOM 0 HD12 ILE A 283 -4.781 -8.659 6.030 1.00 0.53 H new ATOM 0 HD13 ILE A 283 -5.368 -7.486 4.827 1.00 0.53 H new ATOM 549 N MET A 284 -6.173 -3.630 9.224 1.00 0.20 N ATOM 550 CA MET A 284 -7.183 -3.181 10.173 1.00 0.21 C ATOM 551 C MET A 284 -8.587 -3.451 9.646 1.00 0.22 C ATOM 552 O MET A 284 -8.929 -3.046 8.530 1.00 0.23 O ATOM 553 CB MET A 284 -7.028 -1.684 10.446 1.00 0.24 C ATOM 554 CG MET A 284 -5.692 -1.301 11.051 1.00 0.35 C ATOM 555 SD MET A 284 -5.526 -1.841 12.763 1.00 0.54 S ATOM 556 CE MET A 284 -4.446 -3.258 12.570 1.00 0.74 C ATOM 0 H MET A 284 -5.950 -2.951 8.497 1.00 0.20 H new ATOM 0 HA MET A 284 -7.040 -3.739 11.099 1.00 0.21 H new ATOM 0 HB2 MET A 284 -7.161 -1.139 9.511 1.00 0.24 H new ATOM 0 HB3 MET A 284 -7.824 -1.364 11.118 1.00 0.24 H new ATOM 0 HG2 MET A 284 -4.890 -1.738 10.457 1.00 0.35 H new ATOM 0 HG3 MET A 284 -5.572 -0.219 11.002 1.00 0.35 H new ATOM 0 HE1 MET A 284 -4.037 -3.539 13.541 1.00 0.74 H new ATOM 0 HE2 MET A 284 -5.012 -4.094 12.159 1.00 0.74 H new ATOM 0 HE3 MET A 284 -3.631 -3.004 11.893 1.00 0.74 H new ATOM 566 N LYS A 285 -9.401 -4.122 10.455 1.00 0.28 N ATOM 567 CA LYS A 285 -10.771 -4.434 10.067 1.00 0.33 C ATOM 568 C LYS A 285 -11.576 -3.149 9.901 1.00 0.33 C ATOM 569 O LYS A 285 -11.582 -2.289 10.786 1.00 0.46 O ATOM 570 CB LYS A 285 -11.434 -5.344 11.102 1.00 0.43 C ATOM 571 CG LYS A 285 -12.882 -5.686 10.773 1.00 0.49 C ATOM 572 CD LYS A 285 -12.984 -6.608 9.567 1.00 0.63 C ATOM 573 CE LYS A 285 -12.767 -8.061 9.956 1.00 0.83 C ATOM 574 NZ LYS A 285 -13.880 -8.583 10.794 1.00 1.01 N ATOM 0 H LYS A 285 -9.136 -4.459 11.381 1.00 0.28 H new ATOM 0 HA LYS A 285 -10.747 -4.961 9.113 1.00 0.33 H new ATOM 0 HB2 LYS A 285 -10.860 -6.267 11.183 1.00 0.43 H new ATOM 0 HB3 LYS A 285 -11.396 -4.859 12.077 1.00 0.43 H new ATOM 0 HG2 LYS A 285 -13.348 -6.163 11.635 1.00 0.49 H new ATOM 0 HG3 LYS A 285 -13.437 -4.768 10.577 1.00 0.49 H new ATOM 0 HD2 LYS A 285 -13.965 -6.497 9.105 1.00 0.63 H new ATOM 0 HD3 LYS A 285 -12.245 -6.316 8.821 1.00 0.63 H new ATOM 0 HE2 LYS A 285 -12.675 -8.668 9.055 1.00 0.83 H new ATOM 0 HE3 LYS A 285 -11.828 -8.155 10.501 1.00 0.83 H new ATOM 0 HZ1 LYS A 285 -13.883 -9.622 10.759 1.00 1.01 H new ATOM 0 HZ2 LYS A 285 -13.750 -8.270 11.777 1.00 1.01 H new ATOM 0 HZ3 LYS A 285 -14.786 -8.222 10.433 1.00 1.01 H new ATOM 588 N GLY A 286 -12.233 -3.022 8.759 1.00 0.33 N ATOM 589 CA GLY A 286 -13.024 -1.841 8.484 1.00 0.35 C ATOM 590 C GLY A 286 -12.459 -1.066 7.318 1.00 0.30 C ATOM 591 O GLY A 286 -13.164 -0.287 6.674 1.00 0.36 O ATOM 0 H GLY A 286 -12.232 -3.719 8.014 1.00 0.33 H new ATOM 0 HA2 GLY A 286 -14.052 -2.131 8.268 1.00 0.35 H new ATOM 0 HA3 GLY A 286 -13.052 -1.204 9.368 1.00 0.35 H new ATOM 595 N GLY A 287 -11.181 -1.293 7.040 1.00 0.26 N ATOM 596 CA GLY A 287 -10.532 -0.617 5.939 1.00 0.24 C ATOM 597 C GLY A 287 -10.868 -1.253 4.609 1.00 0.22 C ATOM 598 O GLY A 287 -11.409 -2.360 4.563 1.00 0.24 O ATOM 0 H GLY A 287 -10.583 -1.935 7.560 1.00 0.26 H new ATOM 0 HA2 GLY A 287 -10.834 0.430 5.927 1.00 0.24 H new ATOM 0 HA3 GLY A 287 -9.452 -0.635 6.088 1.00 0.24 H new ATOM 602 N ALA A 288 -10.548 -0.560 3.527 1.00 0.21 N ATOM 603 CA ALA A 288 -10.820 -1.055 2.185 1.00 0.22 C ATOM 604 C ALA A 288 -10.052 -2.343 1.897 1.00 0.22 C ATOM 605 O ALA A 288 -10.533 -3.213 1.174 1.00 0.25 O ATOM 606 CB ALA A 288 -10.479 0.012 1.156 1.00 0.24 C ATOM 0 H ALA A 288 -10.096 0.354 3.552 1.00 0.21 H new ATOM 0 HA ALA A 288 -11.883 -1.285 2.119 1.00 0.22 H new ATOM 0 HB1 ALA A 288 -10.686 -0.368 0.156 1.00 0.24 H new ATOM 0 HB2 ALA A 288 -11.084 0.900 1.339 1.00 0.24 H new ATOM 0 HB3 ALA A 288 -9.423 0.269 1.235 1.00 0.24 H new ATOM 612 N VAL A 289 -8.868 -2.465 2.482 1.00 0.20 N ATOM 613 CA VAL A 289 -8.036 -3.648 2.285 1.00 0.21 C ATOM 614 C VAL A 289 -8.656 -4.869 2.957 1.00 0.23 C ATOM 615 O VAL A 289 -8.671 -5.964 2.389 1.00 0.26 O ATOM 616 CB VAL A 289 -6.608 -3.427 2.833 1.00 0.20 C ATOM 617 CG1 VAL A 289 -5.754 -4.675 2.656 1.00 0.23 C ATOM 618 CG2 VAL A 289 -5.956 -2.234 2.150 1.00 0.20 C ATOM 0 H VAL A 289 -8.461 -1.760 3.097 1.00 0.20 H new ATOM 0 HA VAL A 289 -7.975 -3.825 1.211 1.00 0.21 H new ATOM 0 HB VAL A 289 -6.684 -3.220 3.900 1.00 0.20 H new ATOM 0 HG11 VAL A 289 -4.755 -4.491 3.050 1.00 0.23 H new ATOM 0 HG12 VAL A 289 -6.209 -5.507 3.194 1.00 0.23 H new ATOM 0 HG13 VAL A 289 -5.686 -4.922 1.597 1.00 0.23 H new ATOM 0 HG21 VAL A 289 -4.951 -2.092 2.547 1.00 0.20 H new ATOM 0 HG22 VAL A 289 -5.900 -2.415 1.077 1.00 0.20 H new ATOM 0 HG23 VAL A 289 -6.550 -1.339 2.336 1.00 0.20 H new ATOM 628 N ALA A 290 -9.199 -4.668 4.156 1.00 0.23 N ATOM 629 CA ALA A 290 -9.821 -5.751 4.913 1.00 0.27 C ATOM 630 C ALA A 290 -11.119 -6.208 4.252 1.00 0.29 C ATOM 631 O ALA A 290 -11.670 -7.251 4.595 1.00 0.37 O ATOM 632 CB ALA A 290 -10.090 -5.313 6.343 1.00 0.29 C ATOM 0 H ALA A 290 -9.220 -3.762 4.625 1.00 0.23 H new ATOM 0 HA ALA A 290 -9.128 -6.592 4.925 1.00 0.27 H new ATOM 0 HB1 ALA A 290 -10.554 -6.132 6.893 1.00 0.29 H new ATOM 0 HB2 ALA A 290 -9.150 -5.040 6.823 1.00 0.29 H new ATOM 0 HB3 ALA A 290 -10.759 -4.453 6.340 1.00 0.29 H new ATOM 638 N ALA A 291 -11.601 -5.413 3.307 1.00 0.29 N ATOM 639 CA ALA A 291 -12.829 -5.722 2.594 1.00 0.32 C ATOM 640 C ALA A 291 -12.554 -6.604 1.382 1.00 0.32 C ATOM 641 O ALA A 291 -13.479 -7.135 0.764 1.00 0.41 O ATOM 642 CB ALA A 291 -13.518 -4.436 2.169 1.00 0.38 C ATOM 0 H ALA A 291 -11.155 -4.543 3.016 1.00 0.29 H new ATOM 0 HA ALA A 291 -13.487 -6.274 3.266 1.00 0.32 H new ATOM 0 HB1 ALA A 291 -14.438 -4.675 1.635 1.00 0.38 H new ATOM 0 HB2 ALA A 291 -13.755 -3.841 3.051 1.00 0.38 H new ATOM 0 HB3 ALA A 291 -12.856 -3.868 1.515 1.00 0.38 H new ATOM 648 N ASP A 292 -11.281 -6.755 1.039 1.00 0.31 N ATOM 649 CA ASP A 292 -10.897 -7.575 -0.102 1.00 0.32 C ATOM 650 C ASP A 292 -10.511 -8.978 0.354 1.00 0.30 C ATOM 651 O ASP A 292 -11.222 -9.947 0.075 1.00 0.38 O ATOM 652 CB ASP A 292 -9.748 -6.936 -0.875 1.00 0.37 C ATOM 653 CG ASP A 292 -9.357 -7.765 -2.077 1.00 0.43 C ATOM 654 OD1 ASP A 292 -10.079 -7.721 -3.091 1.00 0.55 O ATOM 655 OD2 ASP A 292 -8.347 -8.487 -2.001 1.00 0.45 O ATOM 0 H ASP A 292 -10.500 -6.322 1.532 1.00 0.31 H new ATOM 0 HA ASP A 292 -11.757 -7.647 -0.768 1.00 0.32 H new ATOM 0 HB2 ASP A 292 -10.039 -5.937 -1.200 1.00 0.37 H new ATOM 0 HB3 ASP A 292 -8.887 -6.819 -0.217 1.00 0.37 H new ATOM 660 N GLY A 293 -9.377 -9.092 1.039 1.00 0.29 N ATOM 661 CA GLY A 293 -8.952 -10.385 1.540 1.00 0.33 C ATOM 662 C GLY A 293 -7.773 -11.001 0.800 1.00 0.33 C ATOM 663 O GLY A 293 -7.187 -11.966 1.288 1.00 0.39 O ATOM 0 H GLY A 293 -8.749 -8.317 1.255 1.00 0.29 H new ATOM 0 HA2 GLY A 293 -8.688 -10.282 2.593 1.00 0.33 H new ATOM 0 HA3 GLY A 293 -9.795 -11.074 1.488 1.00 0.33 H new ATOM 667 N ARG A 294 -7.411 -10.470 -0.362 1.00 0.31 N ATOM 668 CA ARG A 294 -6.290 -11.027 -1.120 1.00 0.32 C ATOM 669 C ARG A 294 -4.959 -10.525 -0.580 1.00 0.30 C ATOM 670 O ARG A 294 -3.955 -11.239 -0.612 1.00 0.37 O ATOM 671 CB ARG A 294 -6.415 -10.693 -2.603 1.00 0.35 C ATOM 672 CG ARG A 294 -7.320 -11.651 -3.354 1.00 0.41 C ATOM 673 CD ARG A 294 -7.678 -11.124 -4.728 1.00 0.44 C ATOM 674 NE ARG A 294 -8.643 -10.026 -4.660 1.00 0.43 N ATOM 675 CZ ARG A 294 -9.596 -9.814 -5.568 1.00 0.54 C ATOM 676 NH1 ARG A 294 -9.724 -10.628 -6.607 1.00 0.68 N ATOM 677 NH2 ARG A 294 -10.423 -8.788 -5.426 1.00 0.58 N ATOM 0 H ARG A 294 -7.867 -9.668 -0.797 1.00 0.31 H new ATOM 0 HA ARG A 294 -6.321 -12.110 -1.004 1.00 0.32 H new ATOM 0 HB2 ARG A 294 -6.801 -9.679 -2.710 1.00 0.35 H new ATOM 0 HB3 ARG A 294 -5.424 -10.707 -3.057 1.00 0.35 H new ATOM 0 HG2 ARG A 294 -6.825 -12.617 -3.453 1.00 0.41 H new ATOM 0 HG3 ARG A 294 -8.231 -11.817 -2.779 1.00 0.41 H new ATOM 0 HD2 ARG A 294 -6.774 -10.781 -5.232 1.00 0.44 H new ATOM 0 HD3 ARG A 294 -8.091 -11.933 -5.330 1.00 0.44 H new ATOM 0 HE ARG A 294 -8.583 -9.384 -3.870 1.00 0.43 H new ATOM 0 HH11 ARG A 294 -9.092 -11.421 -6.715 1.00 0.68 H new ATOM 0 HH12 ARG A 294 -10.455 -10.461 -7.299 1.00 0.68 H new ATOM 0 HH21 ARG A 294 -10.329 -8.164 -4.624 1.00 0.58 H new ATOM 0 HH22 ARG A 294 -11.153 -8.622 -6.118 1.00 0.58 H new ATOM 691 N ILE A 295 -4.956 -9.296 -0.094 1.00 0.26 N ATOM 692 CA ILE A 295 -3.752 -8.706 0.476 1.00 0.25 C ATOM 693 C ILE A 295 -3.573 -9.208 1.905 1.00 0.25 C ATOM 694 O ILE A 295 -4.548 -9.327 2.649 1.00 0.29 O ATOM 695 CB ILE A 295 -3.818 -7.161 0.463 1.00 0.25 C ATOM 696 CG1 ILE A 295 -4.181 -6.664 -0.941 1.00 0.27 C ATOM 697 CG2 ILE A 295 -2.490 -6.562 0.914 1.00 0.27 C ATOM 698 CD1 ILE A 295 -4.477 -5.181 -1.010 1.00 0.37 C ATOM 0 H ILE A 295 -5.773 -8.685 -0.082 1.00 0.26 H new ATOM 0 HA ILE A 295 -2.900 -9.006 -0.133 1.00 0.25 H new ATOM 0 HB ILE A 295 -4.590 -6.839 1.161 1.00 0.25 H new ATOM 0 HG12 ILE A 295 -3.360 -6.892 -1.620 1.00 0.27 H new ATOM 0 HG13 ILE A 295 -5.051 -7.215 -1.297 1.00 0.27 H new ATOM 0 HG21 ILE A 295 -2.557 -5.474 0.898 1.00 0.27 H new ATOM 0 HG22 ILE A 295 -2.265 -6.897 1.927 1.00 0.27 H new ATOM 0 HG23 ILE A 295 -1.697 -6.886 0.240 1.00 0.27 H new ATOM 0 HD11 ILE A 295 -4.725 -4.907 -2.035 1.00 0.37 H new ATOM 0 HD12 ILE A 295 -5.319 -4.947 -0.358 1.00 0.37 H new ATOM 0 HD13 ILE A 295 -3.601 -4.620 -0.686 1.00 0.37 H new ATOM 710 N GLU A 296 -2.344 -9.530 2.280 1.00 0.24 N ATOM 711 CA GLU A 296 -2.064 -10.036 3.616 1.00 0.26 C ATOM 712 C GLU A 296 -0.745 -9.475 4.147 1.00 0.24 C ATOM 713 O GLU A 296 0.069 -8.961 3.376 1.00 0.22 O ATOM 714 CB GLU A 296 -2.005 -11.566 3.579 1.00 0.31 C ATOM 715 CG GLU A 296 -0.789 -12.107 2.847 1.00 0.36 C ATOM 716 CD GLU A 296 -0.907 -13.580 2.540 1.00 0.49 C ATOM 717 OE1 GLU A 296 -1.512 -13.924 1.502 1.00 0.56 O ATOM 718 OE2 GLU A 296 -0.392 -14.398 3.326 1.00 0.69 O ATOM 0 H GLU A 296 -1.524 -9.450 1.678 1.00 0.24 H new ATOM 0 HA GLU A 296 -2.862 -9.716 4.285 1.00 0.26 H new ATOM 0 HB2 GLU A 296 -2.004 -11.947 4.600 1.00 0.31 H new ATOM 0 HB3 GLU A 296 -2.907 -11.945 3.099 1.00 0.31 H new ATOM 0 HG2 GLU A 296 -0.654 -11.555 1.917 1.00 0.36 H new ATOM 0 HG3 GLU A 296 0.101 -11.935 3.452 1.00 0.36 H new ATOM 725 N PRO A 297 -0.525 -9.540 5.474 1.00 0.26 N ATOM 726 CA PRO A 297 0.715 -9.062 6.086 1.00 0.27 C ATOM 727 C PRO A 297 1.938 -9.755 5.490 1.00 0.27 C ATOM 728 O PRO A 297 2.073 -10.980 5.566 1.00 0.41 O ATOM 729 CB PRO A 297 0.555 -9.433 7.564 1.00 0.32 C ATOM 730 CG PRO A 297 -0.909 -9.547 7.777 1.00 0.34 C ATOM 731 CD PRO A 297 -1.473 -10.055 6.482 1.00 0.32 C ATOM 0 HA PRO A 297 0.872 -7.996 5.923 1.00 0.27 H new ATOM 0 HB2 PRO A 297 1.061 -10.371 7.792 1.00 0.32 H new ATOM 0 HB3 PRO A 297 0.989 -8.671 8.211 1.00 0.32 H new ATOM 0 HG2 PRO A 297 -1.133 -10.231 8.596 1.00 0.34 H new ATOM 0 HG3 PRO A 297 -1.342 -8.582 8.040 1.00 0.34 H new ATOM 0 HD2 PRO A 297 -1.526 -11.144 6.466 1.00 0.32 H new ATOM 0 HD3 PRO A 297 -2.484 -9.684 6.310 1.00 0.32 H new ATOM 739 N GLY A 298 2.810 -8.974 4.878 1.00 0.27 N ATOM 740 CA GLY A 298 4.001 -9.527 4.275 1.00 0.28 C ATOM 741 C GLY A 298 4.124 -9.157 2.816 1.00 0.25 C ATOM 742 O GLY A 298 5.229 -9.103 2.275 1.00 0.29 O ATOM 0 H GLY A 298 2.714 -7.963 4.788 1.00 0.27 H new ATOM 0 HA2 GLY A 298 4.879 -9.170 4.814 1.00 0.28 H new ATOM 0 HA3 GLY A 298 3.986 -10.612 4.373 1.00 0.28 H new ATOM 746 N ASP A 299 2.983 -8.897 2.183 1.00 0.22 N ATOM 747 CA ASP A 299 2.950 -8.521 0.773 1.00 0.22 C ATOM 748 C ASP A 299 3.703 -7.215 0.552 1.00 0.20 C ATOM 749 O ASP A 299 3.697 -6.329 1.411 1.00 0.21 O ATOM 750 CB ASP A 299 1.507 -8.364 0.277 1.00 0.24 C ATOM 751 CG ASP A 299 0.738 -9.674 0.220 1.00 0.27 C ATOM 752 OD1 ASP A 299 1.359 -10.748 0.052 1.00 0.34 O ATOM 753 OD2 ASP A 299 -0.506 -9.635 0.334 1.00 0.28 O ATOM 0 H ASP A 299 2.066 -8.940 2.627 1.00 0.22 H new ATOM 0 HA ASP A 299 3.432 -9.319 0.208 1.00 0.22 H new ATOM 0 HB2 ASP A 299 0.980 -7.671 0.932 1.00 0.24 H new ATOM 0 HB3 ASP A 299 1.520 -7.916 -0.717 1.00 0.24 H new ATOM 758 N MET A 300 4.352 -7.099 -0.596 1.00 0.21 N ATOM 759 CA MET A 300 5.110 -5.900 -0.923 1.00 0.21 C ATOM 760 C MET A 300 4.341 -5.032 -1.909 1.00 0.19 C ATOM 761 O MET A 300 3.770 -5.537 -2.877 1.00 0.21 O ATOM 762 CB MET A 300 6.475 -6.276 -1.507 1.00 0.27 C ATOM 763 CG MET A 300 7.363 -5.079 -1.809 1.00 0.32 C ATOM 764 SD MET A 300 9.094 -5.532 -2.043 1.00 0.50 S ATOM 765 CE MET A 300 8.981 -6.620 -3.461 1.00 1.26 C ATOM 0 H MET A 300 4.369 -7.820 -1.317 1.00 0.21 H new ATOM 0 HA MET A 300 5.264 -5.331 -0.006 1.00 0.21 H new ATOM 0 HB2 MET A 300 6.991 -6.932 -0.807 1.00 0.27 H new ATOM 0 HB3 MET A 300 6.323 -6.845 -2.424 1.00 0.27 H new ATOM 0 HG2 MET A 300 6.999 -4.580 -2.707 1.00 0.32 H new ATOM 0 HG3 MET A 300 7.287 -4.361 -0.992 1.00 0.32 H new ATOM 0 HE1 MET A 300 9.767 -6.371 -4.174 1.00 1.26 H new ATOM 0 HE2 MET A 300 9.100 -7.654 -3.137 1.00 1.26 H new ATOM 0 HE3 MET A 300 8.008 -6.499 -3.936 1.00 1.26 H new ATOM 775 N LEU A 301 4.323 -3.732 -1.659 1.00 0.19 N ATOM 776 CA LEU A 301 3.631 -2.798 -2.532 1.00 0.19 C ATOM 777 C LEU A 301 4.566 -2.337 -3.641 1.00 0.20 C ATOM 778 O LEU A 301 5.635 -1.791 -3.371 1.00 0.24 O ATOM 779 CB LEU A 301 3.131 -1.587 -1.736 1.00 0.23 C ATOM 780 CG LEU A 301 1.903 -1.832 -0.857 1.00 0.33 C ATOM 781 CD1 LEU A 301 1.728 -0.687 0.132 1.00 0.48 C ATOM 782 CD2 LEU A 301 0.661 -1.991 -1.716 1.00 0.47 C ATOM 0 H LEU A 301 4.781 -3.299 -0.857 1.00 0.19 H new ATOM 0 HA LEU A 301 2.772 -3.304 -2.972 1.00 0.19 H new ATOM 0 HB2 LEU A 301 3.943 -1.231 -1.102 1.00 0.23 H new ATOM 0 HB3 LEU A 301 2.899 -0.785 -2.437 1.00 0.23 H new ATOM 0 HG LEU A 301 2.052 -2.755 -0.296 1.00 0.33 H new ATOM 0 HD11 LEU A 301 0.851 -0.873 0.752 1.00 0.48 H new ATOM 0 HD12 LEU A 301 2.612 -0.615 0.766 1.00 0.48 H new ATOM 0 HD13 LEU A 301 1.596 0.248 -0.413 1.00 0.48 H new ATOM 0 HD21 LEU A 301 -0.204 -2.165 -1.076 1.00 0.47 H new ATOM 0 HD22 LEU A 301 0.504 -1.084 -2.300 1.00 0.47 H new ATOM 0 HD23 LEU A 301 0.790 -2.838 -2.389 1.00 0.47 H new ATOM 794 N LEU A 302 4.173 -2.573 -4.885 1.00 0.20 N ATOM 795 CA LEU A 302 4.986 -2.169 -6.022 1.00 0.22 C ATOM 796 C LEU A 302 4.451 -0.876 -6.612 1.00 0.22 C ATOM 797 O LEU A 302 5.076 0.179 -6.513 1.00 0.29 O ATOM 798 CB LEU A 302 4.989 -3.252 -7.104 1.00 0.27 C ATOM 799 CG LEU A 302 5.489 -4.628 -6.669 1.00 0.37 C ATOM 800 CD1 LEU A 302 5.394 -5.608 -7.830 1.00 0.53 C ATOM 801 CD2 LEU A 302 6.916 -4.544 -6.144 1.00 0.46 C ATOM 0 H LEU A 302 3.300 -3.040 -5.131 1.00 0.20 H new ATOM 0 HA LEU A 302 6.007 -2.019 -5.670 1.00 0.22 H new ATOM 0 HB2 LEU A 302 3.974 -3.360 -7.486 1.00 0.27 H new ATOM 0 HB3 LEU A 302 5.607 -2.908 -7.934 1.00 0.27 H new ATOM 0 HG LEU A 302 4.857 -4.989 -5.857 1.00 0.37 H new ATOM 0 HD11 LEU A 302 5.753 -6.586 -7.511 1.00 0.53 H new ATOM 0 HD12 LEU A 302 4.356 -5.690 -8.153 1.00 0.53 H new ATOM 0 HD13 LEU A 302 6.005 -5.250 -8.659 1.00 0.53 H new ATOM 0 HD21 LEU A 302 7.251 -5.536 -5.840 1.00 0.46 H new ATOM 0 HD22 LEU A 302 7.571 -4.165 -6.929 1.00 0.46 H new ATOM 0 HD23 LEU A 302 6.949 -3.871 -5.287 1.00 0.46 H new ATOM 813 N GLN A 303 3.273 -0.967 -7.202 1.00 0.21 N ATOM 814 CA GLN A 303 2.647 0.179 -7.828 1.00 0.22 C ATOM 815 C GLN A 303 1.289 0.457 -7.207 1.00 0.21 C ATOM 816 O GLN A 303 0.505 -0.462 -6.964 1.00 0.25 O ATOM 817 CB GLN A 303 2.492 -0.066 -9.333 1.00 0.27 C ATOM 818 CG GLN A 303 1.563 0.923 -10.022 1.00 0.32 C ATOM 819 CD GLN A 303 0.838 0.322 -11.205 1.00 0.51 C ATOM 820 OE1 GLN A 303 -0.168 -0.369 -11.044 1.00 0.68 O ATOM 821 NE2 GLN A 303 1.332 0.593 -12.400 1.00 0.73 N ATOM 0 H GLN A 303 2.730 -1.828 -7.260 1.00 0.21 H new ATOM 0 HA GLN A 303 3.284 1.049 -7.669 1.00 0.22 H new ATOM 0 HB2 GLN A 303 3.474 -0.016 -9.803 1.00 0.27 H new ATOM 0 HB3 GLN A 303 2.114 -1.076 -9.491 1.00 0.27 H new ATOM 0 HG2 GLN A 303 0.832 1.289 -9.302 1.00 0.32 H new ATOM 0 HG3 GLN A 303 2.141 1.785 -10.356 1.00 0.32 H new ATOM 0 HE21 GLN A 303 2.168 1.170 -12.487 1.00 0.73 H new ATOM 0 HE22 GLN A 303 0.877 0.225 -13.235 1.00 0.73 H new ATOM 830 N VAL A 304 1.018 1.724 -6.949 1.00 0.20 N ATOM 831 CA VAL A 304 -0.253 2.136 -6.383 1.00 0.21 C ATOM 832 C VAL A 304 -0.843 3.253 -7.226 1.00 0.22 C ATOM 833 O VAL A 304 -0.349 4.373 -7.212 1.00 0.26 O ATOM 834 CB VAL A 304 -0.114 2.612 -4.922 1.00 0.24 C ATOM 835 CG1 VAL A 304 -1.438 3.161 -4.413 1.00 0.29 C ATOM 836 CG2 VAL A 304 0.374 1.476 -4.032 1.00 0.27 C ATOM 0 H VAL A 304 1.668 2.491 -7.124 1.00 0.20 H new ATOM 0 HA VAL A 304 -0.912 1.268 -6.385 1.00 0.21 H new ATOM 0 HB VAL A 304 0.625 3.412 -4.890 1.00 0.24 H new ATOM 0 HG11 VAL A 304 -1.322 3.492 -3.381 1.00 0.29 H new ATOM 0 HG12 VAL A 304 -1.745 4.004 -5.032 1.00 0.29 H new ATOM 0 HG13 VAL A 304 -2.198 2.381 -4.460 1.00 0.29 H new ATOM 0 HG21 VAL A 304 0.466 1.832 -3.006 1.00 0.27 H new ATOM 0 HG22 VAL A 304 -0.340 0.653 -4.069 1.00 0.27 H new ATOM 0 HG23 VAL A 304 1.346 1.130 -4.384 1.00 0.27 H new ATOM 846 N ASN A 305 -1.888 2.930 -7.970 1.00 0.27 N ATOM 847 CA ASN A 305 -2.548 3.898 -8.840 1.00 0.33 C ATOM 848 C ASN A 305 -1.571 4.483 -9.862 1.00 0.31 C ATOM 849 O ASN A 305 -1.271 5.678 -9.835 1.00 0.34 O ATOM 850 CB ASN A 305 -3.197 5.023 -8.026 1.00 0.39 C ATOM 851 CG ASN A 305 -4.709 5.008 -8.136 1.00 0.78 C ATOM 852 OD1 ASN A 305 -5.325 3.946 -8.255 1.00 1.71 O ATOM 853 ND2 ASN A 305 -5.319 6.182 -8.091 1.00 1.14 N ATOM 0 H ASN A 305 -2.302 1.998 -7.991 1.00 0.27 H new ATOM 0 HA ASN A 305 -3.332 3.366 -9.379 1.00 0.33 H new ATOM 0 HB2 ASN A 305 -2.909 4.925 -6.979 1.00 0.39 H new ATOM 0 HB3 ASN A 305 -2.818 5.985 -8.372 1.00 0.39 H new ATOM 0 HD21 ASN A 305 -6.336 6.231 -8.156 1.00 1.14 H new ATOM 0 HD22 ASN A 305 -4.772 7.037 -7.992 1.00 1.14 H new ATOM 860 N ASP A 306 -1.052 3.606 -10.723 1.00 0.32 N ATOM 861 CA ASP A 306 -0.126 3.977 -11.809 1.00 0.35 C ATOM 862 C ASP A 306 1.307 4.252 -11.338 1.00 0.31 C ATOM 863 O ASP A 306 2.258 3.793 -11.974 1.00 0.35 O ATOM 864 CB ASP A 306 -0.662 5.171 -12.613 1.00 0.42 C ATOM 865 CG ASP A 306 -1.626 4.749 -13.706 1.00 0.66 C ATOM 866 OD1 ASP A 306 -1.224 3.958 -14.585 1.00 1.06 O ATOM 867 OD2 ASP A 306 -2.789 5.210 -13.695 1.00 1.11 O ATOM 0 H ASP A 306 -1.261 2.608 -10.691 1.00 0.32 H new ATOM 0 HA ASP A 306 -0.073 3.101 -12.455 1.00 0.35 H new ATOM 0 HB2 ASP A 306 -1.164 5.864 -11.938 1.00 0.42 H new ATOM 0 HB3 ASP A 306 0.174 5.710 -13.059 1.00 0.42 H new ATOM 872 N VAL A 307 1.483 4.984 -10.243 1.00 0.30 N ATOM 873 CA VAL A 307 2.834 5.295 -9.766 1.00 0.29 C ATOM 874 C VAL A 307 3.514 4.057 -9.177 1.00 0.25 C ATOM 875 O VAL A 307 2.922 3.315 -8.393 1.00 0.28 O ATOM 876 CB VAL A 307 2.854 6.457 -8.745 1.00 0.34 C ATOM 877 CG1 VAL A 307 2.349 7.740 -9.387 1.00 0.71 C ATOM 878 CG2 VAL A 307 2.039 6.120 -7.509 1.00 0.53 C ATOM 0 H VAL A 307 0.727 5.368 -9.676 1.00 0.30 H new ATOM 0 HA VAL A 307 3.398 5.623 -10.640 1.00 0.29 H new ATOM 0 HB VAL A 307 3.887 6.609 -8.431 1.00 0.34 H new ATOM 0 HG11 VAL A 307 2.370 8.546 -8.654 1.00 0.71 H new ATOM 0 HG12 VAL A 307 2.987 8.000 -10.231 1.00 0.71 H new ATOM 0 HG13 VAL A 307 1.327 7.594 -9.737 1.00 0.71 H new ATOM 0 HG21 VAL A 307 2.073 6.957 -6.811 1.00 0.53 H new ATOM 0 HG22 VAL A 307 1.005 5.929 -7.796 1.00 0.53 H new ATOM 0 HG23 VAL A 307 2.453 5.232 -7.031 1.00 0.53 H new ATOM 888 N ASN A 308 4.757 3.831 -9.584 1.00 0.25 N ATOM 889 CA ASN A 308 5.527 2.678 -9.118 1.00 0.25 C ATOM 890 C ASN A 308 6.581 3.110 -8.097 1.00 0.24 C ATOM 891 O ASN A 308 7.367 4.020 -8.357 1.00 0.33 O ATOM 892 CB ASN A 308 6.189 1.984 -10.315 1.00 0.33 C ATOM 893 CG ASN A 308 6.938 0.719 -9.935 1.00 0.46 C ATOM 894 OD1 ASN A 308 6.613 0.060 -8.951 1.00 0.58 O ATOM 895 ND2 ASN A 308 7.951 0.373 -10.717 1.00 0.74 N ATOM 0 H ASN A 308 5.258 4.432 -10.239 1.00 0.25 H new ATOM 0 HA ASN A 308 4.852 1.976 -8.628 1.00 0.25 H new ATOM 0 HB2 ASN A 308 5.425 1.738 -11.052 1.00 0.33 H new ATOM 0 HB3 ASN A 308 6.881 2.678 -10.792 1.00 0.33 H new ATOM 0 HD21 ASN A 308 8.491 -0.467 -10.510 1.00 0.74 H new ATOM 0 HD22 ASN A 308 8.190 0.947 -11.526 1.00 0.74 H new ATOM 902 N PHE A 309 6.602 2.439 -6.948 1.00 0.22 N ATOM 903 CA PHE A 309 7.543 2.768 -5.878 1.00 0.24 C ATOM 904 C PHE A 309 8.726 1.802 -5.849 1.00 0.26 C ATOM 905 O PHE A 309 9.591 1.902 -4.978 1.00 0.30 O ATOM 906 CB PHE A 309 6.837 2.731 -4.519 1.00 0.28 C ATOM 907 CG PHE A 309 5.602 3.581 -4.443 1.00 0.26 C ATOM 908 CD1 PHE A 309 5.633 4.914 -4.816 1.00 0.29 C ATOM 909 CD2 PHE A 309 4.407 3.045 -3.990 1.00 0.31 C ATOM 910 CE1 PHE A 309 4.498 5.696 -4.739 1.00 0.33 C ATOM 911 CE2 PHE A 309 3.268 3.822 -3.911 1.00 0.33 C ATOM 912 CZ PHE A 309 3.314 5.148 -4.287 1.00 0.33 C ATOM 0 H PHE A 309 5.977 1.662 -6.733 1.00 0.22 H new ATOM 0 HA PHE A 309 7.919 3.772 -6.077 1.00 0.24 H new ATOM 0 HB2 PHE A 309 6.569 1.700 -4.289 1.00 0.28 H new ATOM 0 HB3 PHE A 309 7.537 3.057 -3.750 1.00 0.28 H new ATOM 0 HD1 PHE A 309 6.556 5.347 -5.171 1.00 0.29 H new ATOM 0 HD2 PHE A 309 4.366 2.007 -3.695 1.00 0.31 H new ATOM 0 HE1 PHE A 309 4.536 6.735 -5.032 1.00 0.33 H new ATOM 0 HE2 PHE A 309 2.343 3.392 -3.556 1.00 0.33 H new ATOM 0 HZ PHE A 309 2.424 5.758 -4.228 1.00 0.33 H new ATOM 922 N GLU A 310 8.754 0.877 -6.804 1.00 0.29 N ATOM 923 CA GLU A 310 9.815 -0.130 -6.900 1.00 0.33 C ATOM 924 C GLU A 310 11.216 0.474 -6.814 1.00 0.35 C ATOM 925 O GLU A 310 12.100 -0.076 -6.158 1.00 0.47 O ATOM 926 CB GLU A 310 9.687 -0.886 -8.218 1.00 0.40 C ATOM 927 CG GLU A 310 9.263 -2.336 -8.069 1.00 0.54 C ATOM 928 CD GLU A 310 9.393 -3.105 -9.367 1.00 0.67 C ATOM 929 OE1 GLU A 310 10.515 -3.171 -9.913 1.00 1.21 O ATOM 930 OE2 GLU A 310 8.379 -3.640 -9.857 1.00 1.04 O ATOM 0 H GLU A 310 8.045 0.801 -7.533 1.00 0.29 H new ATOM 0 HA GLU A 310 9.690 -0.801 -6.050 1.00 0.33 H new ATOM 0 HB2 GLU A 310 8.963 -0.371 -8.850 1.00 0.40 H new ATOM 0 HB3 GLU A 310 10.645 -0.851 -8.737 1.00 0.40 H new ATOM 0 HG2 GLU A 310 9.873 -2.814 -7.302 1.00 0.54 H new ATOM 0 HG3 GLU A 310 8.229 -2.377 -7.726 1.00 0.54 H new ATOM 937 N ASN A 311 11.416 1.599 -7.479 1.00 0.35 N ATOM 938 CA ASN A 311 12.722 2.243 -7.498 1.00 0.41 C ATOM 939 C ASN A 311 12.693 3.575 -6.759 1.00 0.37 C ATOM 940 O ASN A 311 13.322 4.545 -7.183 1.00 0.48 O ATOM 941 CB ASN A 311 13.178 2.456 -8.947 1.00 0.54 C ATOM 942 CG ASN A 311 13.573 1.162 -9.638 1.00 0.89 C ATOM 943 OD1 ASN A 311 13.175 0.071 -9.229 1.00 1.27 O ATOM 944 ND2 ASN A 311 14.350 1.271 -10.703 1.00 1.32 N ATOM 0 H ASN A 311 10.695 2.085 -8.012 1.00 0.35 H new ATOM 0 HA ASN A 311 13.430 1.590 -6.987 1.00 0.41 H new ATOM 0 HB2 ASN A 311 12.375 2.932 -9.509 1.00 0.54 H new ATOM 0 HB3 ASN A 311 14.025 3.142 -8.959 1.00 0.54 H new ATOM 0 HD21 ASN A 311 14.637 0.435 -11.212 1.00 1.32 H new ATOM 0 HD22 ASN A 311 14.662 2.191 -11.015 1.00 1.32 H new ATOM 951 N MET A 312 11.976 3.620 -5.645 1.00 0.30 N ATOM 952 CA MET A 312 11.878 4.842 -4.858 1.00 0.28 C ATOM 953 C MET A 312 12.367 4.606 -3.435 1.00 0.26 C ATOM 954 O MET A 312 12.786 3.501 -3.088 1.00 0.34 O ATOM 955 CB MET A 312 10.438 5.367 -4.849 1.00 0.28 C ATOM 956 CG MET A 312 9.938 5.804 -6.221 1.00 0.39 C ATOM 957 SD MET A 312 8.341 6.642 -6.153 1.00 0.37 S ATOM 958 CE MET A 312 8.792 8.169 -5.333 1.00 0.51 C ATOM 0 H MET A 312 11.456 2.829 -5.267 1.00 0.30 H new ATOM 0 HA MET A 312 12.516 5.595 -5.321 1.00 0.28 H new ATOM 0 HB2 MET A 312 9.779 4.589 -4.463 1.00 0.28 H new ATOM 0 HB3 MET A 312 10.372 6.211 -4.162 1.00 0.28 H new ATOM 0 HG2 MET A 312 10.673 6.469 -6.675 1.00 0.39 H new ATOM 0 HG3 MET A 312 9.857 4.930 -6.868 1.00 0.39 H new ATOM 0 HE1 MET A 312 8.181 8.296 -4.439 1.00 0.51 H new ATOM 0 HE2 MET A 312 9.844 8.134 -5.051 1.00 0.51 H new ATOM 0 HE3 MET A 312 8.625 9.008 -6.009 1.00 0.51 H new ATOM 968 N SER A 313 12.332 5.651 -2.623 1.00 0.26 N ATOM 969 CA SER A 313 12.766 5.555 -1.241 1.00 0.28 C ATOM 970 C SER A 313 11.595 5.139 -0.360 1.00 0.24 C ATOM 971 O SER A 313 10.438 5.364 -0.714 1.00 0.26 O ATOM 972 CB SER A 313 13.333 6.897 -0.767 1.00 0.36 C ATOM 973 OG SER A 313 12.338 7.907 -0.803 1.00 0.97 O ATOM 0 H SER A 313 12.006 6.577 -2.900 1.00 0.26 H new ATOM 0 HA SER A 313 13.551 4.802 -1.169 1.00 0.28 H new ATOM 0 HB2 SER A 313 13.718 6.796 0.248 1.00 0.36 H new ATOM 0 HB3 SER A 313 14.173 7.185 -1.399 1.00 0.36 H new ATOM 0 HG SER A 313 12.653 8.657 -1.350 1.00 0.97 H new ATOM 979 N ASN A 314 11.898 4.536 0.785 1.00 0.26 N ATOM 980 CA ASN A 314 10.864 4.088 1.719 1.00 0.27 C ATOM 981 C ASN A 314 9.982 5.253 2.157 1.00 0.25 C ATOM 982 O ASN A 314 8.761 5.126 2.241 1.00 0.33 O ATOM 983 CB ASN A 314 11.494 3.441 2.958 1.00 0.35 C ATOM 984 CG ASN A 314 12.144 2.101 2.668 1.00 0.37 C ATOM 985 OD1 ASN A 314 11.786 1.409 1.716 1.00 0.45 O ATOM 986 ND2 ASN A 314 13.102 1.721 3.497 1.00 0.48 N ATOM 0 H ASN A 314 12.852 4.345 1.091 1.00 0.26 H new ATOM 0 HA ASN A 314 10.251 3.352 1.199 1.00 0.27 H new ATOM 0 HB2 ASN A 314 12.241 4.118 3.373 1.00 0.35 H new ATOM 0 HB3 ASN A 314 10.726 3.308 3.720 1.00 0.35 H new ATOM 0 HD21 ASN A 314 13.572 0.826 3.358 1.00 0.48 H new ATOM 0 HD22 ASN A 314 13.371 2.323 4.275 1.00 0.48 H new ATOM 993 N ASP A 315 10.616 6.393 2.410 1.00 0.26 N ATOM 994 CA ASP A 315 9.910 7.589 2.855 1.00 0.28 C ATOM 995 C ASP A 315 8.984 8.135 1.774 1.00 0.23 C ATOM 996 O ASP A 315 7.800 8.369 2.025 1.00 0.24 O ATOM 997 CB ASP A 315 10.905 8.677 3.262 1.00 0.37 C ATOM 998 CG ASP A 315 11.136 8.726 4.757 1.00 0.83 C ATOM 999 OD1 ASP A 315 10.223 9.158 5.491 1.00 1.36 O ATOM 1000 OD2 ASP A 315 12.238 8.347 5.202 1.00 1.40 O ATOM 0 H ASP A 315 11.624 6.514 2.314 1.00 0.26 H new ATOM 0 HA ASP A 315 9.304 7.302 3.715 1.00 0.28 H new ATOM 0 HB2 ASP A 315 11.855 8.502 2.757 1.00 0.37 H new ATOM 0 HB3 ASP A 315 10.537 9.645 2.923 1.00 0.37 H new ATOM 1005 N ASP A 316 9.522 8.317 0.573 1.00 0.23 N ATOM 1006 CA ASP A 316 8.750 8.867 -0.540 1.00 0.24 C ATOM 1007 C ASP A 316 7.641 7.925 -0.976 1.00 0.19 C ATOM 1008 O ASP A 316 6.580 8.372 -1.413 1.00 0.20 O ATOM 1009 CB ASP A 316 9.658 9.183 -1.726 1.00 0.32 C ATOM 1010 CG ASP A 316 10.406 10.487 -1.552 1.00 0.50 C ATOM 1011 OD1 ASP A 316 9.765 11.511 -1.231 1.00 0.69 O ATOM 1012 OD2 ASP A 316 11.638 10.504 -1.748 1.00 0.88 O ATOM 0 H ASP A 316 10.490 8.092 0.343 1.00 0.23 H new ATOM 0 HA ASP A 316 8.291 9.790 -0.186 1.00 0.24 H new ATOM 0 HB2 ASP A 316 10.374 8.372 -1.857 1.00 0.32 H new ATOM 0 HB3 ASP A 316 9.059 9.230 -2.636 1.00 0.32 H new ATOM 1017 N ALA A 317 7.882 6.627 -0.855 1.00 0.17 N ATOM 1018 CA ALA A 317 6.891 5.630 -1.236 1.00 0.16 C ATOM 1019 C ALA A 317 5.590 5.834 -0.464 1.00 0.14 C ATOM 1020 O ALA A 317 4.509 5.892 -1.053 1.00 0.17 O ATOM 1021 CB ALA A 317 7.435 4.227 -1.009 1.00 0.20 C ATOM 0 H ALA A 317 8.755 6.240 -0.496 1.00 0.17 H new ATOM 0 HA ALA A 317 6.676 5.750 -2.298 1.00 0.16 H new ATOM 0 HB1 ALA A 317 6.682 3.494 -1.299 1.00 0.20 H new ATOM 0 HB2 ALA A 317 8.332 4.083 -1.611 1.00 0.20 H new ATOM 0 HB3 ALA A 317 7.680 4.098 0.045 1.00 0.20 H new ATOM 1027 N VAL A 318 5.701 5.975 0.854 1.00 0.12 N ATOM 1028 CA VAL A 318 4.525 6.171 1.690 1.00 0.12 C ATOM 1029 C VAL A 318 3.971 7.581 1.517 1.00 0.11 C ATOM 1030 O VAL A 318 2.765 7.790 1.633 1.00 0.14 O ATOM 1031 CB VAL A 318 4.805 5.920 3.187 1.00 0.15 C ATOM 1032 CG1 VAL A 318 3.527 5.519 3.901 1.00 0.18 C ATOM 1033 CG2 VAL A 318 5.875 4.859 3.369 1.00 0.21 C ATOM 0 H VAL A 318 6.586 5.957 1.361 1.00 0.12 H new ATOM 0 HA VAL A 318 3.792 5.436 1.359 1.00 0.12 H new ATOM 0 HB VAL A 318 5.174 6.847 3.626 1.00 0.15 H new ATOM 0 HG11 VAL A 318 3.739 5.345 4.956 1.00 0.18 H new ATOM 0 HG12 VAL A 318 2.791 6.317 3.806 1.00 0.18 H new ATOM 0 HG13 VAL A 318 3.132 4.606 3.455 1.00 0.18 H new ATOM 0 HG21 VAL A 318 6.054 4.701 4.433 1.00 0.21 H new ATOM 0 HG22 VAL A 318 5.543 3.926 2.914 1.00 0.21 H new ATOM 0 HG23 VAL A 318 6.798 5.187 2.891 1.00 0.21 H new ATOM 1043 N ARG A 319 4.854 8.541 1.237 1.00 0.12 N ATOM 1044 CA ARG A 319 4.441 9.930 1.029 1.00 0.16 C ATOM 1045 C ARG A 319 3.381 10.009 -0.064 1.00 0.14 C ATOM 1046 O ARG A 319 2.307 10.580 0.130 1.00 0.22 O ATOM 1047 CB ARG A 319 5.636 10.804 0.632 1.00 0.21 C ATOM 1048 CG ARG A 319 6.490 11.267 1.800 1.00 0.35 C ATOM 1049 CD ARG A 319 7.645 12.140 1.328 1.00 0.40 C ATOM 1050 NE ARG A 319 8.493 12.577 2.434 1.00 0.50 N ATOM 1051 CZ ARG A 319 9.817 12.718 2.354 1.00 0.61 C ATOM 1052 NH1 ARG A 319 10.458 12.470 1.215 1.00 0.83 N ATOM 1053 NH2 ARG A 319 10.498 13.119 3.421 1.00 0.81 N ATOM 0 H ARG A 319 5.858 8.383 1.149 1.00 0.12 H new ATOM 0 HA ARG A 319 4.028 10.298 1.968 1.00 0.16 H new ATOM 0 HB2 ARG A 319 6.264 10.246 -0.063 1.00 0.21 H new ATOM 0 HB3 ARG A 319 5.268 11.680 0.097 1.00 0.21 H new ATOM 0 HG2 ARG A 319 5.874 11.825 2.505 1.00 0.35 H new ATOM 0 HG3 ARG A 319 6.881 10.401 2.334 1.00 0.35 H new ATOM 0 HD2 ARG A 319 8.247 11.586 0.608 1.00 0.40 H new ATOM 0 HD3 ARG A 319 7.250 13.013 0.808 1.00 0.40 H new ATOM 0 HE ARG A 319 8.044 12.788 3.325 1.00 0.50 H new ATOM 0 HH11 ARG A 319 9.937 12.169 0.392 1.00 0.83 H new ATOM 0 HH12 ARG A 319 11.471 12.581 1.165 1.00 0.83 H new ATOM 0 HH21 ARG A 319 10.008 13.317 4.294 1.00 0.81 H new ATOM 0 HH22 ARG A 319 11.511 13.229 3.368 1.00 0.81 H new ATOM 1067 N VAL A 320 3.685 9.406 -1.208 1.00 0.10 N ATOM 1068 CA VAL A 320 2.765 9.400 -2.335 1.00 0.10 C ATOM 1069 C VAL A 320 1.555 8.519 -2.029 1.00 0.09 C ATOM 1070 O VAL A 320 0.422 8.873 -2.358 1.00 0.11 O ATOM 1071 CB VAL A 320 3.453 8.909 -3.628 1.00 0.14 C ATOM 1072 CG1 VAL A 320 2.519 9.039 -4.825 1.00 0.17 C ATOM 1073 CG2 VAL A 320 4.748 9.672 -3.871 1.00 0.17 C ATOM 0 H VAL A 320 4.563 8.915 -1.378 1.00 0.10 H new ATOM 0 HA VAL A 320 2.436 10.427 -2.494 1.00 0.10 H new ATOM 0 HB VAL A 320 3.695 7.854 -3.502 1.00 0.14 H new ATOM 0 HG11 VAL A 320 3.027 8.687 -5.723 1.00 0.17 H new ATOM 0 HG12 VAL A 320 1.625 8.440 -4.655 1.00 0.17 H new ATOM 0 HG13 VAL A 320 2.236 10.084 -4.954 1.00 0.17 H new ATOM 0 HG21 VAL A 320 5.217 9.311 -4.786 1.00 0.17 H new ATOM 0 HG22 VAL A 320 4.531 10.736 -3.970 1.00 0.17 H new ATOM 0 HG23 VAL A 320 5.425 9.517 -3.031 1.00 0.17 H new ATOM 1083 N LEU A 321 1.802 7.385 -1.379 1.00 0.08 N ATOM 1084 CA LEU A 321 0.736 6.454 -1.021 1.00 0.09 C ATOM 1085 C LEU A 321 -0.338 7.148 -0.193 1.00 0.09 C ATOM 1086 O LEU A 321 -1.523 7.109 -0.527 1.00 0.10 O ATOM 1087 CB LEU A 321 1.300 5.272 -0.226 1.00 0.11 C ATOM 1088 CG LEU A 321 0.297 4.160 0.092 1.00 0.20 C ATOM 1089 CD1 LEU A 321 -0.404 3.690 -1.170 1.00 0.38 C ATOM 1090 CD2 LEU A 321 0.991 2.997 0.782 1.00 0.29 C ATOM 0 H LEU A 321 2.734 7.088 -1.089 1.00 0.08 H new ATOM 0 HA LEU A 321 0.291 6.090 -1.947 1.00 0.09 H new ATOM 0 HB2 LEU A 321 2.130 4.841 -0.786 1.00 0.11 H new ATOM 0 HB3 LEU A 321 1.710 5.648 0.711 1.00 0.11 H new ATOM 0 HG LEU A 321 -0.456 4.563 0.769 1.00 0.20 H new ATOM 0 HD11 LEU A 321 -1.112 2.900 -0.920 1.00 0.38 H new ATOM 0 HD12 LEU A 321 -0.938 4.526 -1.622 1.00 0.38 H new ATOM 0 HD13 LEU A 321 0.334 3.307 -1.875 1.00 0.38 H new ATOM 0 HD21 LEU A 321 0.262 2.216 1.000 1.00 0.29 H new ATOM 0 HD22 LEU A 321 1.767 2.597 0.129 1.00 0.29 H new ATOM 0 HD23 LEU A 321 1.442 3.343 1.712 1.00 0.29 H new ATOM 1102 N ARG A 322 0.091 7.806 0.874 1.00 0.10 N ATOM 1103 CA ARG A 322 -0.830 8.495 1.762 1.00 0.12 C ATOM 1104 C ARG A 322 -1.568 9.603 1.028 1.00 0.13 C ATOM 1105 O ARG A 322 -2.758 9.807 1.252 1.00 0.21 O ATOM 1106 CB ARG A 322 -0.094 9.042 2.982 1.00 0.15 C ATOM 1107 CG ARG A 322 0.602 7.958 3.787 1.00 0.19 C ATOM 1108 CD ARG A 322 1.109 8.487 5.115 1.00 0.34 C ATOM 1109 NE ARG A 322 0.093 8.403 6.166 1.00 0.49 N ATOM 1110 CZ ARG A 322 0.064 9.194 7.237 1.00 1.05 C ATOM 1111 NH1 ARG A 322 0.970 10.154 7.380 1.00 1.57 N ATOM 1112 NH2 ARG A 322 -0.874 9.021 8.163 1.00 1.28 N ATOM 0 H ARG A 322 1.072 7.877 1.145 1.00 0.10 H new ATOM 0 HA ARG A 322 -1.571 7.775 2.108 1.00 0.12 H new ATOM 0 HB2 ARG A 322 0.643 9.776 2.657 1.00 0.15 H new ATOM 0 HB3 ARG A 322 -0.803 9.565 3.623 1.00 0.15 H new ATOM 0 HG2 ARG A 322 -0.090 7.134 3.963 1.00 0.19 H new ATOM 0 HG3 ARG A 322 1.437 7.556 3.212 1.00 0.19 H new ATOM 0 HD2 ARG A 322 1.990 7.921 5.417 1.00 0.34 H new ATOM 0 HD3 ARG A 322 1.422 9.524 4.996 1.00 0.34 H new ATOM 0 HE ARG A 322 -0.636 7.696 6.072 1.00 0.49 H new ATOM 0 HH11 ARG A 322 1.689 10.286 6.669 1.00 1.57 H new ATOM 0 HH12 ARG A 322 0.947 10.759 8.201 1.00 1.57 H new ATOM 0 HH21 ARG A 322 -1.570 8.283 8.053 1.00 1.28 H new ATOM 0 HH22 ARG A 322 -0.898 9.626 8.984 1.00 1.28 H new ATOM 1126 N GLU A 323 -0.871 10.296 0.135 1.00 0.12 N ATOM 1127 CA GLU A 323 -1.488 11.365 -0.639 1.00 0.15 C ATOM 1128 C GLU A 323 -2.622 10.814 -1.498 1.00 0.14 C ATOM 1129 O GLU A 323 -3.711 11.384 -1.540 1.00 0.21 O ATOM 1130 CB GLU A 323 -0.453 12.064 -1.518 1.00 0.20 C ATOM 1131 CG GLU A 323 0.074 13.351 -0.912 1.00 0.62 C ATOM 1132 CD GLU A 323 -1.030 14.341 -0.602 1.00 1.27 C ATOM 1133 OE1 GLU A 323 -1.391 15.134 -1.494 1.00 1.76 O ATOM 1134 OE2 GLU A 323 -1.542 14.333 0.538 1.00 1.87 O ATOM 0 H GLU A 323 0.116 10.138 -0.070 1.00 0.12 H new ATOM 0 HA GLU A 323 -1.899 12.096 0.058 1.00 0.15 H new ATOM 0 HB2 GLU A 323 0.381 11.385 -1.696 1.00 0.20 H new ATOM 0 HB3 GLU A 323 -0.898 12.283 -2.489 1.00 0.20 H new ATOM 0 HG2 GLU A 323 0.619 13.121 0.004 1.00 0.62 H new ATOM 0 HG3 GLU A 323 0.785 13.808 -1.600 1.00 0.62 H new ATOM 1141 N ILE A 324 -2.367 9.691 -2.161 1.00 0.12 N ATOM 1142 CA ILE A 324 -3.367 9.054 -3.011 1.00 0.14 C ATOM 1143 C ILE A 324 -4.576 8.619 -2.183 1.00 0.14 C ATOM 1144 O ILE A 324 -5.722 8.825 -2.582 1.00 0.18 O ATOM 1145 CB ILE A 324 -2.779 7.825 -3.747 1.00 0.18 C ATOM 1146 CG1 ILE A 324 -1.651 8.262 -4.684 1.00 0.21 C ATOM 1147 CG2 ILE A 324 -3.862 7.095 -4.530 1.00 0.23 C ATOM 1148 CD1 ILE A 324 -0.886 7.108 -5.294 1.00 0.29 C ATOM 0 H ILE A 324 -1.473 9.201 -2.126 1.00 0.12 H new ATOM 0 HA ILE A 324 -3.681 9.788 -3.753 1.00 0.14 H new ATOM 0 HB ILE A 324 -2.375 7.139 -3.002 1.00 0.18 H new ATOM 0 HG12 ILE A 324 -2.071 8.871 -5.484 1.00 0.21 H new ATOM 0 HG13 ILE A 324 -0.957 8.895 -4.132 1.00 0.21 H new ATOM 0 HG21 ILE A 324 -3.426 6.235 -5.039 1.00 0.23 H new ATOM 0 HG22 ILE A 324 -4.640 6.756 -3.846 1.00 0.23 H new ATOM 0 HG23 ILE A 324 -4.297 7.771 -5.267 1.00 0.23 H new ATOM 0 HD11 ILE A 324 -0.103 7.495 -5.946 1.00 0.29 H new ATOM 0 HD12 ILE A 324 -0.436 6.510 -4.501 1.00 0.29 H new ATOM 0 HD13 ILE A 324 -1.567 6.486 -5.875 1.00 0.29 H new ATOM 1160 N VAL A 325 -4.310 8.047 -1.013 1.00 0.11 N ATOM 1161 CA VAL A 325 -5.377 7.587 -0.127 1.00 0.13 C ATOM 1162 C VAL A 325 -6.123 8.776 0.503 1.00 0.16 C ATOM 1163 O VAL A 325 -7.185 8.617 1.109 1.00 0.24 O ATOM 1164 CB VAL A 325 -4.827 6.630 0.966 1.00 0.15 C ATOM 1165 CG1 VAL A 325 -5.949 6.061 1.825 1.00 0.19 C ATOM 1166 CG2 VAL A 325 -4.043 5.500 0.320 1.00 0.16 C ATOM 0 H VAL A 325 -3.368 7.891 -0.656 1.00 0.11 H new ATOM 0 HA VAL A 325 -6.091 7.026 -0.730 1.00 0.13 H new ATOM 0 HB VAL A 325 -4.167 7.206 1.615 1.00 0.15 H new ATOM 0 HG11 VAL A 325 -5.528 5.396 2.579 1.00 0.19 H new ATOM 0 HG12 VAL A 325 -6.480 6.876 2.316 1.00 0.19 H new ATOM 0 HG13 VAL A 325 -6.642 5.503 1.195 1.00 0.19 H new ATOM 0 HG21 VAL A 325 -3.661 4.834 1.093 1.00 0.16 H new ATOM 0 HG22 VAL A 325 -4.696 4.941 -0.350 1.00 0.16 H new ATOM 0 HG23 VAL A 325 -3.209 5.914 -0.247 1.00 0.16 H new ATOM 1176 N SER A 326 -5.582 9.976 0.327 1.00 0.19 N ATOM 1177 CA SER A 326 -6.208 11.179 0.858 1.00 0.24 C ATOM 1178 C SER A 326 -7.173 11.783 -0.162 1.00 0.27 C ATOM 1179 O SER A 326 -7.933 12.702 0.151 1.00 0.44 O ATOM 1180 CB SER A 326 -5.142 12.209 1.241 1.00 0.32 C ATOM 1181 OG SER A 326 -4.249 11.687 2.209 1.00 0.37 O ATOM 0 H SER A 326 -4.712 10.141 -0.179 1.00 0.19 H new ATOM 0 HA SER A 326 -6.772 10.903 1.749 1.00 0.24 H new ATOM 0 HB2 SER A 326 -4.585 12.508 0.353 1.00 0.32 H new ATOM 0 HB3 SER A 326 -5.623 13.106 1.632 1.00 0.32 H new ATOM 0 HG SER A 326 -3.833 10.870 1.863 1.00 0.37 H new ATOM 1187 N GLN A 327 -7.145 11.261 -1.383 1.00 0.27 N ATOM 1188 CA GLN A 327 -8.018 11.749 -2.442 1.00 0.32 C ATOM 1189 C GLN A 327 -9.205 10.809 -2.636 1.00 0.34 C ATOM 1190 O GLN A 327 -9.159 9.642 -2.237 1.00 0.53 O ATOM 1191 CB GLN A 327 -7.244 11.905 -3.757 1.00 0.41 C ATOM 1192 CG GLN A 327 -6.662 13.297 -3.972 1.00 0.63 C ATOM 1193 CD GLN A 327 -5.396 13.540 -3.172 1.00 0.75 C ATOM 1194 OE1 GLN A 327 -5.448 13.983 -2.024 1.00 1.16 O ATOM 1195 NE2 GLN A 327 -4.249 13.268 -3.779 1.00 0.94 N ATOM 0 H GLN A 327 -6.527 10.500 -1.663 1.00 0.27 H new ATOM 0 HA GLN A 327 -8.394 12.728 -2.145 1.00 0.32 H new ATOM 0 HB2 GLN A 327 -6.434 11.176 -3.778 1.00 0.41 H new ATOM 0 HB3 GLN A 327 -7.908 11.668 -4.588 1.00 0.41 H new ATOM 0 HG2 GLN A 327 -6.448 13.436 -5.032 1.00 0.63 H new ATOM 0 HG3 GLN A 327 -7.408 14.043 -3.697 1.00 0.63 H new ATOM 0 HE21 GLN A 327 -4.250 12.902 -4.731 1.00 0.94 H new ATOM 0 HE22 GLN A 327 -3.366 13.425 -3.294 1.00 0.94 H new ATOM 1204 N THR A 328 -10.266 11.320 -3.241 1.00 0.42 N ATOM 1205 CA THR A 328 -11.461 10.529 -3.485 1.00 0.49 C ATOM 1206 C THR A 328 -11.410 9.872 -4.861 1.00 0.51 C ATOM 1207 O THR A 328 -11.371 10.556 -5.884 1.00 0.84 O ATOM 1208 CB THR A 328 -12.725 11.403 -3.394 1.00 0.66 C ATOM 1209 OG1 THR A 328 -12.383 12.705 -2.886 1.00 0.88 O ATOM 1210 CG2 THR A 328 -13.763 10.756 -2.492 1.00 0.89 C ATOM 0 H THR A 328 -10.323 12.283 -3.573 1.00 0.42 H new ATOM 0 HA THR A 328 -11.500 9.755 -2.718 1.00 0.49 H new ATOM 0 HB THR A 328 -13.148 11.503 -4.394 1.00 0.66 H new ATOM 0 HG1 THR A 328 -13.191 13.257 -2.832 1.00 0.88 H new ATOM 0 HG21 THR A 328 -14.648 11.391 -2.442 1.00 0.89 H new ATOM 0 HG22 THR A 328 -14.038 9.781 -2.895 1.00 0.89 H new ATOM 0 HG23 THR A 328 -13.349 10.632 -1.491 1.00 0.89 H new ATOM 1218 N GLY A 329 -11.387 8.548 -4.882 1.00 0.45 N ATOM 1219 CA GLY A 329 -11.348 7.827 -6.136 1.00 0.44 C ATOM 1220 C GLY A 329 -10.989 6.372 -5.936 1.00 0.39 C ATOM 1221 O GLY A 329 -10.605 5.980 -4.835 1.00 0.43 O ATOM 0 H GLY A 329 -11.395 7.959 -4.050 1.00 0.45 H new ATOM 0 HA2 GLY A 329 -12.319 7.898 -6.626 1.00 0.44 H new ATOM 0 HA3 GLY A 329 -10.621 8.293 -6.801 1.00 0.44 H new ATOM 1225 N PRO A 330 -11.119 5.542 -6.981 1.00 0.40 N ATOM 1226 CA PRO A 330 -10.790 4.120 -6.903 1.00 0.39 C ATOM 1227 C PRO A 330 -9.284 3.894 -6.828 1.00 0.36 C ATOM 1228 O PRO A 330 -8.536 4.281 -7.733 1.00 0.56 O ATOM 1229 CB PRO A 330 -11.365 3.546 -8.199 1.00 0.47 C ATOM 1230 CG PRO A 330 -11.400 4.691 -9.151 1.00 0.58 C ATOM 1231 CD PRO A 330 -11.600 5.931 -8.321 1.00 0.52 C ATOM 0 HA PRO A 330 -11.196 3.648 -6.008 1.00 0.39 H new ATOM 0 HB2 PRO A 330 -10.744 2.736 -8.580 1.00 0.47 H new ATOM 0 HB3 PRO A 330 -12.362 3.136 -8.040 1.00 0.47 H new ATOM 0 HG2 PRO A 330 -10.472 4.751 -9.720 1.00 0.58 H new ATOM 0 HG3 PRO A 330 -12.209 4.572 -9.872 1.00 0.58 H new ATOM 0 HD2 PRO A 330 -11.035 6.774 -8.719 1.00 0.52 H new ATOM 0 HD3 PRO A 330 -12.647 6.232 -8.298 1.00 0.52 H new ATOM 1239 N ILE A 331 -8.841 3.285 -5.738 1.00 0.27 N ATOM 1240 CA ILE A 331 -7.426 3.019 -5.536 1.00 0.25 C ATOM 1241 C ILE A 331 -7.052 1.638 -6.056 1.00 0.25 C ATOM 1242 O ILE A 331 -7.582 0.623 -5.602 1.00 0.30 O ATOM 1243 CB ILE A 331 -7.037 3.133 -4.045 1.00 0.29 C ATOM 1244 CG1 ILE A 331 -7.374 4.531 -3.518 1.00 0.31 C ATOM 1245 CG2 ILE A 331 -5.556 2.830 -3.850 1.00 0.37 C ATOM 1246 CD1 ILE A 331 -7.190 4.682 -2.025 1.00 0.35 C ATOM 0 H ILE A 331 -9.443 2.966 -4.979 1.00 0.27 H new ATOM 0 HA ILE A 331 -6.874 3.773 -6.098 1.00 0.25 H new ATOM 0 HB ILE A 331 -7.610 2.399 -3.479 1.00 0.29 H new ATOM 0 HG12 ILE A 331 -6.746 5.262 -4.028 1.00 0.31 H new ATOM 0 HG13 ILE A 331 -8.408 4.766 -3.773 1.00 0.31 H new ATOM 0 HG21 ILE A 331 -5.303 2.916 -2.793 1.00 0.37 H new ATOM 0 HG22 ILE A 331 -5.344 1.817 -4.193 1.00 0.37 H new ATOM 0 HG23 ILE A 331 -4.961 3.540 -4.424 1.00 0.37 H new ATOM 0 HD11 ILE A 331 -7.448 5.698 -1.728 1.00 0.35 H new ATOM 0 HD12 ILE A 331 -7.838 3.976 -1.505 1.00 0.35 H new ATOM 0 HD13 ILE A 331 -6.151 4.480 -1.764 1.00 0.35 H new ATOM 1258 N SER A 332 -6.151 1.612 -7.025 1.00 0.28 N ATOM 1259 CA SER A 332 -5.689 0.365 -7.607 1.00 0.31 C ATOM 1260 C SER A 332 -4.370 -0.054 -6.965 1.00 0.27 C ATOM 1261 O SER A 332 -3.343 0.608 -7.143 1.00 0.31 O ATOM 1262 CB SER A 332 -5.526 0.527 -9.119 1.00 0.41 C ATOM 1263 OG SER A 332 -6.529 1.385 -9.644 1.00 1.09 O ATOM 0 H SER A 332 -5.724 2.447 -7.426 1.00 0.28 H new ATOM 0 HA SER A 332 -6.427 -0.415 -7.418 1.00 0.31 H new ATOM 0 HB2 SER A 332 -4.540 0.934 -9.342 1.00 0.41 H new ATOM 0 HB3 SER A 332 -5.585 -0.448 -9.603 1.00 0.41 H new ATOM 0 HG SER A 332 -6.317 2.314 -9.416 1.00 1.09 H new ATOM 1269 N LEU A 333 -4.405 -1.143 -6.211 1.00 0.27 N ATOM 1270 CA LEU A 333 -3.219 -1.631 -5.523 1.00 0.26 C ATOM 1271 C LEU A 333 -2.583 -2.806 -6.255 1.00 0.26 C ATOM 1272 O LEU A 333 -3.228 -3.828 -6.491 1.00 0.30 O ATOM 1273 CB LEU A 333 -3.563 -2.050 -4.089 1.00 0.29 C ATOM 1274 CG LEU A 333 -4.048 -0.928 -3.168 1.00 0.27 C ATOM 1275 CD1 LEU A 333 -4.445 -1.495 -1.815 1.00 0.48 C ATOM 1276 CD2 LEU A 333 -2.975 0.138 -3.003 1.00 0.39 C ATOM 0 H LEU A 333 -5.242 -1.706 -6.060 1.00 0.27 H new ATOM 0 HA LEU A 333 -2.501 -0.812 -5.502 1.00 0.26 H new ATOM 0 HB2 LEU A 333 -4.333 -2.820 -4.130 1.00 0.29 H new ATOM 0 HB3 LEU A 333 -2.680 -2.506 -3.642 1.00 0.29 H new ATOM 0 HG LEU A 333 -4.922 -0.462 -3.624 1.00 0.27 H new ATOM 0 HD11 LEU A 333 -4.788 -0.687 -1.169 1.00 0.48 H new ATOM 0 HD12 LEU A 333 -5.247 -2.221 -1.946 1.00 0.48 H new ATOM 0 HD13 LEU A 333 -3.584 -1.984 -1.359 1.00 0.48 H new ATOM 0 HD21 LEU A 333 -3.342 0.925 -2.344 1.00 0.39 H new ATOM 0 HD22 LEU A 333 -2.081 -0.310 -2.570 1.00 0.39 H new ATOM 0 HD23 LEU A 333 -2.732 0.564 -3.977 1.00 0.39 H new ATOM 1288 N THR A 334 -1.325 -2.633 -6.628 1.00 0.24 N ATOM 1289 CA THR A 334 -0.563 -3.672 -7.293 1.00 0.26 C ATOM 1290 C THR A 334 0.445 -4.248 -6.301 1.00 0.26 C ATOM 1291 O THR A 334 1.493 -3.647 -6.034 1.00 0.28 O ATOM 1292 CB THR A 334 0.167 -3.121 -8.538 1.00 0.31 C ATOM 1293 OG1 THR A 334 -0.792 -2.623 -9.482 1.00 0.50 O ATOM 1294 CG2 THR A 334 1.015 -4.196 -9.196 1.00 0.42 C ATOM 0 H THR A 334 -0.806 -1.768 -6.477 1.00 0.24 H new ATOM 0 HA THR A 334 -1.244 -4.453 -7.632 1.00 0.26 H new ATOM 0 HB THR A 334 0.824 -2.313 -8.217 1.00 0.31 H new ATOM 0 HG1 THR A 334 -0.423 -1.839 -9.940 1.00 0.50 H new ATOM 0 HG21 THR A 334 1.517 -3.780 -10.069 1.00 0.42 H new ATOM 0 HG22 THR A 334 1.760 -4.557 -8.487 1.00 0.42 H new ATOM 0 HG23 THR A 334 0.377 -5.024 -9.505 1.00 0.42 H new ATOM 1302 N VAL A 335 0.107 -5.396 -5.729 1.00 0.26 N ATOM 1303 CA VAL A 335 0.961 -6.032 -4.739 1.00 0.28 C ATOM 1304 C VAL A 335 1.755 -7.191 -5.320 1.00 0.28 C ATOM 1305 O VAL A 335 1.380 -7.779 -6.337 1.00 0.32 O ATOM 1306 CB VAL A 335 0.142 -6.542 -3.533 1.00 0.30 C ATOM 1307 CG1 VAL A 335 -0.490 -5.383 -2.778 1.00 0.33 C ATOM 1308 CG2 VAL A 335 -0.921 -7.538 -3.979 1.00 0.31 C ATOM 0 H VAL A 335 -0.753 -5.905 -5.935 1.00 0.26 H new ATOM 0 HA VAL A 335 1.659 -5.263 -4.408 1.00 0.28 H new ATOM 0 HB VAL A 335 0.825 -7.056 -2.857 1.00 0.30 H new ATOM 0 HG11 VAL A 335 -1.062 -5.768 -1.933 1.00 0.33 H new ATOM 0 HG12 VAL A 335 0.292 -4.716 -2.414 1.00 0.33 H new ATOM 0 HG13 VAL A 335 -1.154 -4.833 -3.445 1.00 0.33 H new ATOM 0 HG21 VAL A 335 -1.484 -7.882 -3.111 1.00 0.31 H new ATOM 0 HG22 VAL A 335 -1.599 -7.056 -4.683 1.00 0.31 H new ATOM 0 HG23 VAL A 335 -0.442 -8.390 -4.462 1.00 0.31 H new ATOM 1318 N ALA A 336 2.865 -7.495 -4.664 1.00 0.28 N ATOM 1319 CA ALA A 336 3.731 -8.587 -5.063 1.00 0.31 C ATOM 1320 C ALA A 336 3.683 -9.682 -4.010 1.00 0.33 C ATOM 1321 O ALA A 336 4.124 -9.484 -2.874 1.00 0.38 O ATOM 1322 CB ALA A 336 5.158 -8.101 -5.254 1.00 0.34 C ATOM 0 H ALA A 336 3.188 -6.989 -3.839 1.00 0.28 H new ATOM 0 HA ALA A 336 3.380 -8.986 -6.015 1.00 0.31 H new ATOM 0 HB1 ALA A 336 5.790 -8.937 -5.553 1.00 0.34 H new ATOM 0 HB2 ALA A 336 5.181 -7.334 -6.028 1.00 0.34 H new ATOM 0 HB3 ALA A 336 5.528 -7.683 -4.318 1.00 0.34 H new ATOM 1328 N LYS A 337 3.134 -10.823 -4.388 1.00 0.36 N ATOM 1329 CA LYS A 337 3.005 -11.951 -3.490 1.00 0.40 C ATOM 1330 C LYS A 337 3.902 -13.086 -3.951 1.00 0.47 C ATOM 1331 O LYS A 337 4.208 -13.146 -5.162 1.00 0.60 O ATOM 1332 CB LYS A 337 1.551 -12.424 -3.433 1.00 0.41 C ATOM 1333 CG LYS A 337 0.576 -11.350 -2.979 1.00 0.37 C ATOM 1334 CD LYS A 337 -0.852 -11.868 -2.937 1.00 0.41 C ATOM 1335 CE LYS A 337 -1.072 -12.831 -1.780 1.00 0.39 C ATOM 1336 NZ LYS A 337 -1.054 -12.141 -0.462 1.00 0.38 N ATOM 1337 OXT LYS A 337 4.287 -13.919 -3.112 1.00 0.70 O ATOM 0 H LYS A 337 2.767 -10.991 -5.325 1.00 0.36 H new ATOM 0 HA LYS A 337 3.310 -11.639 -2.491 1.00 0.40 H new ATOM 0 HB2 LYS A 337 1.254 -12.777 -4.420 1.00 0.41 H new ATOM 0 HB3 LYS A 337 1.481 -13.275 -2.756 1.00 0.41 H new ATOM 0 HG2 LYS A 337 0.863 -10.993 -1.990 1.00 0.37 H new ATOM 0 HG3 LYS A 337 0.634 -10.497 -3.655 1.00 0.37 H new ATOM 0 HD2 LYS A 337 -1.540 -11.028 -2.846 1.00 0.41 H new ATOM 0 HD3 LYS A 337 -1.084 -12.370 -3.876 1.00 0.41 H new ATOM 0 HE2 LYS A 337 -2.028 -13.339 -1.909 1.00 0.39 H new ATOM 0 HE3 LYS A 337 -0.298 -13.599 -1.797 1.00 0.39 H new ATOM 0 HZ1 LYS A 337 -1.588 -12.703 0.231 1.00 0.38 H new ATOM 0 HZ2 LYS A 337 -0.071 -12.035 -0.139 1.00 0.38 H new ATOM 0 HZ3 LYS A 337 -1.491 -11.202 -0.556 1.00 0.38 H new ATOM 1369 N TRP B 2 0.803 5.042 7.882 1.00 0.14 N ATOM 1370 CA TRP B 2 -0.481 4.353 7.995 1.00 0.13 C ATOM 1371 C TRP B 2 -1.520 5.003 7.095 1.00 0.14 C ATOM 1372 O TRP B 2 -1.537 6.230 6.948 1.00 0.23 O ATOM 1373 CB TRP B 2 -0.997 4.413 9.438 1.00 0.19 C ATOM 1374 CG TRP B 2 -0.431 3.380 10.363 1.00 0.21 C ATOM 1375 CD1 TRP B 2 0.781 3.409 10.983 1.00 0.30 C ATOM 1376 CD2 TRP B 2 -1.078 2.180 10.802 1.00 0.24 C ATOM 1377 NE1 TRP B 2 0.936 2.295 11.774 1.00 0.32 N ATOM 1378 CE2 TRP B 2 -0.194 1.524 11.678 1.00 0.28 C ATOM 1379 CE3 TRP B 2 -2.316 1.596 10.532 1.00 0.32 C ATOM 1380 CZ2 TRP B 2 -0.511 0.314 12.289 1.00 0.33 C ATOM 1381 CZ3 TRP B 2 -2.629 0.396 11.140 1.00 0.40 C ATOM 1382 CH2 TRP B 2 -1.731 -0.233 12.009 1.00 0.39 C ATOM 0 HA TRP B 2 -0.325 3.317 7.695 1.00 0.13 H new ATOM 0 HB2 TRP B 2 -0.777 5.400 9.844 1.00 0.19 H new ATOM 0 HB3 TRP B 2 -2.082 4.309 9.423 1.00 0.19 H new ATOM 0 HD1 TRP B 2 1.515 4.194 10.870 1.00 0.30 H new ATOM 0 HE1 TRP B 2 1.757 2.078 12.339 1.00 0.32 H new ATOM 0 HE3 TRP B 2 -3.015 2.073 9.861 1.00 0.32 H new ATOM 0 HZ2 TRP B 2 0.181 -0.174 12.959 1.00 0.33 H new ATOM 0 HZ3 TRP B 2 -3.585 -0.065 10.941 1.00 0.40 H new ATOM 0 HH2 TRP B 2 -2.008 -1.171 12.468 1.00 0.39 H new ATOM 1393 N VAL B 3 -2.369 4.188 6.484 1.00 0.09 N ATOM 1394 CA VAL B 3 -3.440 4.694 5.637 1.00 0.11 C ATOM 1395 C VAL B 3 -4.643 3.778 5.733 1.00 0.14 C ATOM 1396 O VAL B 3 -5.742 4.191 5.315 1.00 0.24 O ATOM 1397 CB VAL B 3 -3.055 4.866 4.149 1.00 0.14 C ATOM 1398 CG1 VAL B 3 -2.824 6.328 3.840 1.00 0.21 C ATOM 1399 CG2 VAL B 3 -1.836 4.046 3.755 1.00 0.11 C ATOM 1400 OXT VAL B 3 -4.489 2.659 6.263 1.00 0.27 O ATOM 0 H VAL B 3 -2.336 3.171 6.560 1.00 0.09 H new ATOM 0 HA VAL B 3 -3.666 5.692 6.013 1.00 0.11 H new ATOM 0 HB VAL B 3 -3.891 4.491 3.558 1.00 0.14 H new ATOM 0 HG11 VAL B 3 -2.553 6.440 2.790 1.00 0.21 H new ATOM 0 HG12 VAL B 3 -3.735 6.891 4.042 1.00 0.21 H new ATOM 0 HG13 VAL B 3 -2.016 6.709 4.465 1.00 0.21 H new ATOM 0 HG21 VAL B 3 -1.614 4.208 2.700 1.00 0.11 H new ATOM 0 HG22 VAL B 3 -0.981 4.353 4.357 1.00 0.11 H new ATOM 0 HG23 VAL B 3 -2.038 2.989 3.925 1.00 0.11 H new