USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 566 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 31 ASN : amide:sc= -3.49! C(o=-7.1!,f=-12!) USER MOD Set 1.2: A 48 ASN : amide:sc= -3.63! C(o=-7.1!,f=-15!) USER MOD Set 2.1: A 36 CYS SG : rot 59:sc= -9.28! USER MOD Set 2.2: A 61 MET CE :methyl 147:sc= -15.7! (180deg=-18.2!) USER MOD Set 3.1: A 34 THR OG1 : rot -145:sc= -7.23! USER MOD Set 3.2: A 53 SER OG : rot -150:sc= -0.436 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0.0926 K(o=0.093,f=-3.3!) USER MOD Single : A 6 HIS : no HE2:sc= -5.92! C(o=-5.9!,f=-3.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 MET CE :methyl 180:sc= -0.0148 (180deg=-0.0148) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 17 HIS : no HE2:sc= -8.56! C(o=-8.6!,f=-11!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= -6.47! C(o=-6.5!,f=-4.4!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -72:sc= 0.912 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= 1.06 (180deg=0.923) USER MOD Single : A 66 GLN : amide:sc= -7.71! C(o=-7.7!,f=-7.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -3.760 8.121 4.715 1.00 0.00 N ATOM 2 CA PRO A 1 -3.536 7.092 3.652 1.00 0.00 C ATOM 3 C PRO A 1 -3.969 5.716 4.165 1.00 0.00 C ATOM 4 O PRO A 1 -4.655 4.978 3.486 1.00 0.00 O ATOM 5 CB PRO A 1 -2.047 7.071 3.311 1.00 0.00 C ATOM 6 CG PRO A 1 -1.372 8.134 4.169 1.00 0.00 C ATOM 7 CD PRO A 1 -2.454 8.773 5.038 1.00 0.00 C ATOM 0 H2 PRO A 1 -4.154 7.686 5.550 1.00 0.00 H new ATOM 0 H3 PRO A 1 -4.433 8.818 4.396 1.00 0.00 H new ATOM 0 HA PRO A 1 -4.121 7.335 2.765 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -1.621 6.088 3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -1.892 7.276 2.252 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -0.594 7.689 4.790 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -0.890 8.884 3.542 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -2.217 8.646 6.094 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -2.508 9.845 4.850 1.00 0.00 H new ATOM 17 N ILE A 2 -3.574 5.365 5.358 1.00 0.00 N ATOM 18 CA ILE A 2 -3.962 4.037 5.913 1.00 0.00 C ATOM 19 C ILE A 2 -5.462 4.025 6.212 1.00 0.00 C ATOM 20 O ILE A 2 -6.219 3.300 5.601 1.00 0.00 O ATOM 21 CB ILE A 2 -3.182 3.776 7.203 1.00 0.00 C ATOM 22 CG1 ILE A 2 -1.718 4.178 7.006 1.00 0.00 C ATOM 23 CG2 ILE A 2 -3.256 2.289 7.556 1.00 0.00 C ATOM 24 CD1 ILE A 2 -1.200 3.600 5.688 1.00 0.00 C ATOM 0 H ILE A 2 -2.999 5.941 5.973 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.732 3.259 5.185 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.616 4.364 8.012 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.626 5.264 6.999 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.115 3.812 7.837 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.700 2.105 8.475 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.297 2.000 7.698 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.824 1.701 6.746 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.158 3.887 5.549 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.277 2.513 5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.796 3.987 4.862 1.00 0.00 H new ATOM 36 N SER A 3 -5.897 4.821 7.150 1.00 0.00 N ATOM 37 CA SER A 3 -7.348 4.852 7.488 1.00 0.00 C ATOM 38 C SER A 3 -8.163 5.156 6.229 1.00 0.00 C ATOM 39 O SER A 3 -9.286 4.716 6.086 1.00 0.00 O ATOM 40 CB SER A 3 -7.602 5.935 8.536 1.00 0.00 C ATOM 41 OG SER A 3 -8.956 5.866 8.965 1.00 0.00 O ATOM 0 H SER A 3 -5.310 5.451 7.697 1.00 0.00 H new ATOM 0 HA SER A 3 -7.649 3.883 7.886 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.932 5.800 9.385 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.391 6.919 8.117 1.00 0.00 H new ATOM 0 HG SER A 3 -9.121 6.559 9.638 1.00 0.00 H new ATOM 47 N GLN A 4 -7.608 5.903 5.314 1.00 0.00 N ATOM 48 CA GLN A 4 -8.356 6.231 4.066 1.00 0.00 C ATOM 49 C GLN A 4 -8.619 4.943 3.284 1.00 0.00 C ATOM 50 O GLN A 4 -9.753 4.615 2.965 1.00 0.00 O ATOM 51 CB GLN A 4 -7.526 7.190 3.211 1.00 0.00 C ATOM 52 CG GLN A 4 -7.249 8.469 4.005 1.00 0.00 C ATOM 53 CD GLN A 4 -6.855 9.591 3.043 1.00 0.00 C ATOM 54 OE1 GLN A 4 -5.694 9.932 2.933 1.00 0.00 O ATOM 55 NE2 GLN A 4 -7.779 10.183 2.338 1.00 0.00 N ATOM 0 H GLN A 4 -6.670 6.300 5.376 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.305 6.704 4.320 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.587 6.718 2.922 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.059 7.428 2.291 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.134 8.756 4.573 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.450 8.296 4.726 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.753 9.896 2.431 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -7.527 10.933 1.694 1.00 0.00 H new ATOM 64 N VAL A 5 -7.587 4.200 2.979 1.00 0.00 N ATOM 65 CA VAL A 5 -7.800 2.936 2.230 1.00 0.00 C ATOM 66 C VAL A 5 -8.745 2.061 3.034 1.00 0.00 C ATOM 67 O VAL A 5 -9.772 1.657 2.560 1.00 0.00 O ATOM 68 CB VAL A 5 -6.476 2.195 2.022 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.708 0.977 1.131 1.00 0.00 C ATOM 70 CG2 VAL A 5 -5.446 3.115 1.364 1.00 0.00 C ATOM 0 H VAL A 5 -6.618 4.414 3.215 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.220 3.164 1.250 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.096 1.877 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.766 0.450 0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.426 0.310 1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.098 1.301 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.511 2.573 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.821 3.448 0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.271 3.981 2.003 1.00 0.00 H new ATOM 80 N HIS A 6 -8.423 1.775 4.256 1.00 0.00 N ATOM 81 CA HIS A 6 -9.338 0.942 5.070 1.00 0.00 C ATOM 82 C HIS A 6 -10.772 1.441 4.862 1.00 0.00 C ATOM 83 O HIS A 6 -11.709 0.669 4.768 1.00 0.00 O ATOM 84 CB HIS A 6 -8.955 1.085 6.541 1.00 0.00 C ATOM 85 CG HIS A 6 -7.692 0.316 6.807 1.00 0.00 C ATOM 86 ND1 HIS A 6 -7.670 -1.068 6.881 1.00 0.00 N ATOM 87 CD2 HIS A 6 -6.396 0.724 7.011 1.00 0.00 C ATOM 88 CE1 HIS A 6 -6.399 -1.441 7.121 1.00 0.00 C ATOM 89 NE2 HIS A 6 -5.582 -0.387 7.209 1.00 0.00 N ATOM 0 H HIS A 6 -7.570 2.080 4.726 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.266 -0.104 4.773 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.812 2.137 6.790 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.760 0.714 7.175 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.471 -1.690 6.773 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.060 1.750 7.017 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.079 -2.467 7.229 1.00 0.00 H new ATOM 97 N GLU A 7 -10.937 2.736 4.775 1.00 0.00 N ATOM 98 CA GLU A 7 -12.297 3.319 4.581 1.00 0.00 C ATOM 99 C GLU A 7 -12.903 2.859 3.253 1.00 0.00 C ATOM 100 O GLU A 7 -13.878 2.136 3.229 1.00 0.00 O ATOM 101 CB GLU A 7 -12.196 4.846 4.587 1.00 0.00 C ATOM 102 CG GLU A 7 -12.680 5.382 5.936 1.00 0.00 C ATOM 103 CD GLU A 7 -14.192 5.612 5.881 1.00 0.00 C ATOM 104 OE1 GLU A 7 -14.835 4.998 5.045 1.00 0.00 O ATOM 105 OE2 GLU A 7 -14.680 6.398 6.675 1.00 0.00 O ATOM 0 H GLU A 7 -10.181 3.419 4.831 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.940 2.980 5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.166 5.154 4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.797 5.264 3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.438 4.674 6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.168 6.314 6.174 1.00 0.00 H new ATOM 112 N ILE A 8 -12.356 3.287 2.146 1.00 0.00 N ATOM 113 CA ILE A 8 -12.936 2.882 0.833 1.00 0.00 C ATOM 114 C ILE A 8 -12.768 1.375 0.621 1.00 0.00 C ATOM 115 O ILE A 8 -13.701 0.675 0.293 1.00 0.00 O ATOM 116 CB ILE A 8 -12.223 3.640 -0.290 1.00 0.00 C ATOM 117 CG1 ILE A 8 -10.708 3.440 -0.178 1.00 0.00 C ATOM 118 CG2 ILE A 8 -12.544 5.131 -0.181 1.00 0.00 C ATOM 119 CD1 ILE A 8 -10.273 2.253 -1.047 1.00 0.00 C ATOM 0 H ILE A 8 -11.539 3.895 2.094 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.999 3.122 0.824 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.566 3.257 -1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -10.189 4.344 -0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.432 3.262 0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.037 5.672 -0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.620 5.279 -0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.204 5.507 0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.195 2.116 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.781 1.350 -0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.534 2.449 -2.087 1.00 0.00 H new ATOM 131 N GLY A 9 -11.582 0.880 0.799 1.00 0.00 N ATOM 132 CA GLY A 9 -11.327 -0.565 0.604 1.00 0.00 C ATOM 133 C GLY A 9 -12.439 -1.374 1.257 1.00 0.00 C ATOM 134 O GLY A 9 -13.098 -2.169 0.617 1.00 0.00 O ATOM 0 H GLY A 9 -10.766 1.425 1.076 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.274 -0.795 -0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.364 -0.836 1.037 1.00 0.00 H new ATOM 138 N ILE A 10 -12.656 -1.186 2.528 1.00 0.00 N ATOM 139 CA ILE A 10 -13.731 -1.963 3.201 1.00 0.00 C ATOM 140 C ILE A 10 -15.097 -1.480 2.704 1.00 0.00 C ATOM 141 O ILE A 10 -16.060 -2.220 2.679 1.00 0.00 O ATOM 142 CB ILE A 10 -13.606 -1.775 4.725 1.00 0.00 C ATOM 143 CG1 ILE A 10 -13.048 -3.060 5.313 1.00 0.00 C ATOM 144 CG2 ILE A 10 -14.968 -1.473 5.369 1.00 0.00 C ATOM 145 CD1 ILE A 10 -13.967 -4.218 4.924 1.00 0.00 C ATOM 0 H ILE A 10 -12.142 -0.536 3.123 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.634 -3.023 2.967 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.948 -0.930 4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.039 -3.238 4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.979 -2.980 6.398 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.842 -1.346 6.444 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.378 -0.558 4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.652 -2.300 5.179 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.578 -5.147 5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.968 -4.036 5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.012 -4.298 3.838 1.00 0.00 H new ATOM 157 N LYS A 11 -15.188 -0.237 2.335 1.00 0.00 N ATOM 158 CA LYS A 11 -16.489 0.310 1.869 1.00 0.00 C ATOM 159 C LYS A 11 -16.745 -0.079 0.409 1.00 0.00 C ATOM 160 O LYS A 11 -17.780 0.228 -0.148 1.00 0.00 O ATOM 161 CB LYS A 11 -16.451 1.832 1.990 1.00 0.00 C ATOM 162 CG LYS A 11 -16.775 2.240 3.428 1.00 0.00 C ATOM 163 CD LYS A 11 -18.272 2.537 3.550 1.00 0.00 C ATOM 164 CE LYS A 11 -18.902 1.577 4.561 1.00 0.00 C ATOM 165 NZ LYS A 11 -20.101 2.218 5.173 1.00 0.00 N ATOM 0 H LYS A 11 -14.414 0.427 2.336 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.292 -0.100 2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.466 2.205 1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -17.170 2.280 1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -16.495 1.442 4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.195 3.120 3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.424 3.568 3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -18.755 2.428 2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.185 0.647 4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.179 1.320 5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -20.530 1.566 5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -19.818 3.094 5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -20.793 2.441 4.429 1.00 0.00 H new ATOM 179 N ARG A 12 -15.814 -0.740 -0.218 1.00 0.00 N ATOM 180 CA ARG A 12 -16.018 -1.129 -1.644 1.00 0.00 C ATOM 181 C ARG A 12 -15.598 -2.584 -1.850 1.00 0.00 C ATOM 182 O ARG A 12 -15.404 -3.031 -2.962 1.00 0.00 O ATOM 183 CB ARG A 12 -15.178 -0.222 -2.546 1.00 0.00 C ATOM 184 CG ARG A 12 -16.051 0.313 -3.684 1.00 0.00 C ATOM 185 CD ARG A 12 -15.889 -0.583 -4.915 1.00 0.00 C ATOM 186 NE ARG A 12 -17.122 -0.519 -5.753 1.00 0.00 N ATOM 187 CZ ARG A 12 -18.298 -0.447 -5.190 1.00 0.00 C ATOM 188 NH1 ARG A 12 -18.680 -1.374 -4.356 1.00 0.00 N ATOM 189 NH2 ARG A 12 -19.091 0.553 -5.463 1.00 0.00 N ATOM 0 H ARG A 12 -14.925 -1.027 0.190 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.072 -1.021 -1.898 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.768 0.606 -1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.332 -0.777 -2.952 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -17.096 0.338 -3.374 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.765 1.337 -3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.025 -0.263 -5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.702 -1.611 -4.606 1.00 0.00 H new ATOM 0 HE ARG A 12 -17.046 -0.532 -6.770 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -18.060 -2.156 -4.143 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -19.599 -1.317 -3.916 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -18.792 1.278 -6.116 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -20.010 0.610 -5.024 1.00 0.00 H new ATOM 203 N ASN A 13 -15.461 -3.327 -0.786 1.00 0.00 N ATOM 204 CA ASN A 13 -15.059 -4.756 -0.914 1.00 0.00 C ATOM 205 C ASN A 13 -13.550 -4.854 -1.157 1.00 0.00 C ATOM 206 O ASN A 13 -12.987 -5.930 -1.161 1.00 0.00 O ATOM 207 CB ASN A 13 -15.807 -5.397 -2.085 1.00 0.00 C ATOM 208 CG ASN A 13 -15.881 -6.912 -1.879 1.00 0.00 C ATOM 209 OD1 ASN A 13 -15.162 -7.658 -2.513 1.00 0.00 O ATOM 210 ND2 ASN A 13 -16.727 -7.399 -1.012 1.00 0.00 N ATOM 0 H ASN A 13 -15.611 -3.004 0.170 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.309 -5.280 0.009 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -16.811 -4.980 -2.160 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.298 -5.172 -3.022 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -16.785 -8.407 -0.866 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -17.330 -6.772 -0.480 1.00 0.00 H new ATOM 217 N MET A 14 -12.886 -3.746 -1.352 1.00 0.00 N ATOM 218 CA MET A 14 -11.418 -3.802 -1.584 1.00 0.00 C ATOM 219 C MET A 14 -10.707 -3.914 -0.228 1.00 0.00 C ATOM 220 O MET A 14 -10.395 -2.926 0.402 1.00 0.00 O ATOM 221 CB MET A 14 -10.976 -2.529 -2.312 1.00 0.00 C ATOM 222 CG MET A 14 -11.194 -2.695 -3.818 1.00 0.00 C ATOM 223 SD MET A 14 -10.165 -4.047 -4.442 1.00 0.00 S ATOM 224 CE MET A 14 -9.148 -3.056 -5.565 1.00 0.00 C ATOM 0 H MET A 14 -13.295 -2.812 -1.360 1.00 0.00 H new ATOM 0 HA MET A 14 -11.162 -4.667 -2.197 1.00 0.00 H new ATOM 0 HB2 MET A 14 -11.542 -1.673 -1.945 1.00 0.00 H new ATOM 0 HB3 MET A 14 -9.925 -2.327 -2.107 1.00 0.00 H new ATOM 0 HG2 MET A 14 -12.245 -2.902 -4.022 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.945 -1.768 -4.335 1.00 0.00 H new ATOM 0 HE1 MET A 14 -8.427 -3.701 -6.068 1.00 0.00 H new ATOM 0 HE2 MET A 14 -9.787 -2.577 -6.307 1.00 0.00 H new ATOM 0 HE3 MET A 14 -8.617 -2.292 -4.997 1.00 0.00 H new ATOM 234 N THR A 15 -10.468 -5.115 0.235 1.00 0.00 N ATOM 235 CA THR A 15 -9.802 -5.292 1.556 1.00 0.00 C ATOM 236 C THR A 15 -8.660 -4.292 1.714 1.00 0.00 C ATOM 237 O THR A 15 -8.123 -3.784 0.757 1.00 0.00 O ATOM 238 CB THR A 15 -9.262 -6.722 1.671 1.00 0.00 C ATOM 239 OG1 THR A 15 -9.551 -7.437 0.479 1.00 0.00 O ATOM 240 CG2 THR A 15 -9.939 -7.410 2.857 1.00 0.00 C ATOM 0 H THR A 15 -10.707 -5.981 -0.248 1.00 0.00 H new ATOM 0 HA THR A 15 -10.531 -5.115 2.346 1.00 0.00 H new ATOM 0 HB THR A 15 -8.183 -6.700 1.821 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.204 -8.350 0.553 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.563 -8.429 2.950 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.720 -6.858 3.771 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.017 -7.434 2.697 1.00 0.00 H new ATOM 248 N VAL A 16 -8.282 -4.004 2.923 1.00 0.00 N ATOM 249 CA VAL A 16 -7.172 -3.042 3.141 1.00 0.00 C ATOM 250 C VAL A 16 -6.189 -3.649 4.134 1.00 0.00 C ATOM 251 O VAL A 16 -6.211 -3.345 5.310 1.00 0.00 O ATOM 252 CB VAL A 16 -7.733 -1.733 3.700 1.00 0.00 C ATOM 253 CG1 VAL A 16 -6.621 -0.683 3.762 1.00 0.00 C ATOM 254 CG2 VAL A 16 -8.856 -1.236 2.785 1.00 0.00 C ATOM 0 H VAL A 16 -8.694 -4.393 3.771 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.664 -2.836 2.199 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.124 -1.902 4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.022 0.249 4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.820 -1.039 4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.228 -0.510 2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.260 -0.303 3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.461 -1.067 1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.648 -1.984 2.741 1.00 0.00 H new ATOM 264 N HIS A 17 -5.326 -4.511 3.675 1.00 0.00 N ATOM 265 CA HIS A 17 -4.345 -5.134 4.620 1.00 0.00 C ATOM 266 C HIS A 17 -2.922 -4.754 4.210 1.00 0.00 C ATOM 267 O HIS A 17 -2.330 -5.356 3.337 1.00 0.00 O ATOM 268 CB HIS A 17 -4.499 -6.660 4.624 1.00 0.00 C ATOM 269 CG HIS A 17 -5.944 -7.019 4.863 1.00 0.00 C ATOM 270 ND1 HIS A 17 -6.550 -6.832 6.096 1.00 0.00 N ATOM 271 CD2 HIS A 17 -6.915 -7.556 4.047 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.825 -7.246 5.990 1.00 0.00 C ATOM 273 NE2 HIS A 17 -8.100 -7.696 4.764 1.00 0.00 N ATOM 0 H HIS A 17 -5.253 -4.811 2.703 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.542 -4.763 5.626 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.163 -7.073 3.673 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.871 -7.097 5.400 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -6.109 -6.450 6.932 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.778 -7.827 3.010 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.540 -7.218 6.799 1.00 0.00 H new ATOM 281 N PHE A 18 -2.376 -3.745 4.832 1.00 0.00 N ATOM 282 CA PHE A 18 -1.002 -3.294 4.480 1.00 0.00 C ATOM 283 C PHE A 18 0.041 -4.200 5.138 1.00 0.00 C ATOM 284 O PHE A 18 -0.069 -4.560 6.293 1.00 0.00 O ATOM 285 CB PHE A 18 -0.793 -1.869 4.992 1.00 0.00 C ATOM 286 CG PHE A 18 -1.524 -0.876 4.119 1.00 0.00 C ATOM 287 CD1 PHE A 18 -2.709 -1.235 3.458 1.00 0.00 C ATOM 288 CD2 PHE A 18 -1.017 0.419 3.983 1.00 0.00 C ATOM 289 CE1 PHE A 18 -3.379 -0.299 2.668 1.00 0.00 C ATOM 290 CE2 PHE A 18 -1.686 1.353 3.189 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.870 0.993 2.532 1.00 0.00 C ATOM 0 H PHE A 18 -2.827 -3.211 5.574 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.889 -3.334 3.397 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.150 -1.790 6.019 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.271 -1.634 5.006 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.103 -2.235 3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.107 0.698 4.493 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.292 -0.575 2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.291 2.352 3.081 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.389 1.716 1.920 1.00 0.00 H new ATOM 301 N LYS A 19 1.063 -4.548 4.410 1.00 0.00 N ATOM 302 CA LYS A 19 2.135 -5.398 4.973 1.00 0.00 C ATOM 303 C LYS A 19 3.438 -5.049 4.255 1.00 0.00 C ATOM 304 O LYS A 19 3.550 -5.194 3.055 1.00 0.00 O ATOM 305 CB LYS A 19 1.790 -6.876 4.760 1.00 0.00 C ATOM 306 CG LYS A 19 1.729 -7.191 3.263 1.00 0.00 C ATOM 307 CD LYS A 19 1.249 -8.632 3.066 1.00 0.00 C ATOM 308 CE LYS A 19 -0.104 -8.822 3.755 1.00 0.00 C ATOM 309 NZ LYS A 19 -1.000 -9.628 2.877 1.00 0.00 N ATOM 0 H LYS A 19 1.199 -4.274 3.437 1.00 0.00 H new ATOM 0 HA LYS A 19 2.240 -5.223 6.044 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.538 -7.505 5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.832 -7.105 5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.052 -6.499 2.762 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.712 -7.059 2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.161 -8.854 2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.979 -9.329 3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.031 -9.324 4.713 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.557 -7.853 3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.920 -9.757 3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.138 -9.132 1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.568 -10.557 2.700 1.00 0.00 H new ATOM 323 N VAL A 20 4.418 -4.575 4.969 1.00 0.00 N ATOM 324 CA VAL A 20 5.699 -4.210 4.307 1.00 0.00 C ATOM 325 C VAL A 20 6.503 -5.476 4.053 1.00 0.00 C ATOM 326 O VAL A 20 6.691 -6.304 4.923 1.00 0.00 O ATOM 327 CB VAL A 20 6.471 -3.231 5.188 1.00 0.00 C ATOM 328 CG1 VAL A 20 7.876 -3.019 4.615 1.00 0.00 C ATOM 329 CG2 VAL A 20 5.720 -1.892 5.208 1.00 0.00 C ATOM 0 H VAL A 20 4.388 -4.425 5.977 1.00 0.00 H new ATOM 0 HA VAL A 20 5.506 -3.722 3.352 1.00 0.00 H new ATOM 0 HB VAL A 20 6.555 -3.629 6.199 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.425 -2.320 5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.404 -3.972 4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.800 -2.614 3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.260 -1.181 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.648 -1.500 4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.718 -2.043 5.611 1.00 0.00 H new ATOM 339 N LEU A 21 6.950 -5.636 2.844 1.00 0.00 N ATOM 340 CA LEU A 21 7.718 -6.851 2.473 1.00 0.00 C ATOM 341 C LEU A 21 9.195 -6.613 2.744 1.00 0.00 C ATOM 342 O LEU A 21 9.951 -7.537 2.967 1.00 0.00 O ATOM 343 CB LEU A 21 7.519 -7.136 0.981 1.00 0.00 C ATOM 344 CG LEU A 21 6.153 -6.620 0.533 1.00 0.00 C ATOM 345 CD1 LEU A 21 5.865 -7.100 -0.890 1.00 0.00 C ATOM 346 CD2 LEU A 21 5.080 -7.157 1.481 1.00 0.00 C ATOM 0 H LEU A 21 6.814 -4.967 2.086 1.00 0.00 H new ATOM 0 HA LEU A 21 7.369 -7.700 3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.307 -6.656 0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.593 -8.207 0.793 1.00 0.00 H new ATOM 0 HG LEU A 21 6.148 -5.530 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.890 -6.731 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.634 -6.722 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.866 -8.190 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.102 -6.793 1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.086 -8.247 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.286 -6.815 2.495 1.00 0.00 H new ATOM 358 N ARG A 22 9.611 -5.378 2.728 1.00 0.00 N ATOM 359 CA ARG A 22 11.053 -5.084 2.987 1.00 0.00 C ATOM 360 C ARG A 22 11.404 -3.681 2.491 1.00 0.00 C ATOM 361 O ARG A 22 10.543 -2.856 2.256 1.00 0.00 O ATOM 362 CB ARG A 22 11.923 -6.104 2.247 1.00 0.00 C ATOM 363 CG ARG A 22 12.620 -7.015 3.260 1.00 0.00 C ATOM 364 CD ARG A 22 13.572 -7.961 2.526 1.00 0.00 C ATOM 365 NE ARG A 22 12.837 -8.663 1.433 1.00 0.00 N ATOM 366 CZ ARG A 22 11.597 -9.035 1.610 1.00 0.00 C ATOM 367 NH1 ARG A 22 11.244 -9.620 2.722 1.00 0.00 N ATOM 368 NH2 ARG A 22 10.712 -8.825 0.675 1.00 0.00 N ATOM 0 H ARG A 22 9.023 -4.564 2.549 1.00 0.00 H new ATOM 0 HA ARG A 22 11.236 -5.144 4.060 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.309 -6.698 1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.664 -5.589 1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.172 -6.416 3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.880 -7.588 3.819 1.00 0.00 H new ATOM 0 HD2 ARG A 22 14.410 -7.401 2.112 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.988 -8.688 3.224 1.00 0.00 H new ATOM 0 HE ARG A 22 13.304 -8.853 0.546 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.936 -9.787 3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.276 -9.910 2.860 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.988 -8.370 -0.195 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.744 -9.116 0.814 1.00 0.00 H new ATOM 382 N GLU A 23 12.672 -3.409 2.333 1.00 0.00 N ATOM 383 CA GLU A 23 13.100 -2.064 1.854 1.00 0.00 C ATOM 384 C GLU A 23 13.909 -2.224 0.563 1.00 0.00 C ATOM 385 O GLU A 23 15.124 -2.241 0.579 1.00 0.00 O ATOM 386 CB GLU A 23 13.971 -1.372 2.918 1.00 0.00 C ATOM 387 CG GLU A 23 14.142 -2.278 4.144 1.00 0.00 C ATOM 388 CD GLU A 23 14.788 -1.483 5.280 1.00 0.00 C ATOM 389 OE1 GLU A 23 15.457 -0.504 4.988 1.00 0.00 O ATOM 390 OE2 GLU A 23 14.604 -1.866 6.423 1.00 0.00 O ATOM 0 H GLU A 23 13.432 -4.064 2.516 1.00 0.00 H new ATOM 0 HA GLU A 23 12.216 -1.454 1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.947 -1.132 2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.511 -0.430 3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.174 -2.665 4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.761 -3.138 3.890 1.00 0.00 H new ATOM 397 N GLU A 24 13.245 -2.346 -0.554 1.00 0.00 N ATOM 398 CA GLU A 24 13.975 -2.507 -1.845 1.00 0.00 C ATOM 399 C GLU A 24 14.561 -3.920 -1.929 1.00 0.00 C ATOM 400 O GLU A 24 14.145 -4.816 -1.222 1.00 0.00 O ATOM 401 CB GLU A 24 15.106 -1.479 -1.926 1.00 0.00 C ATOM 402 CG GLU A 24 15.176 -0.909 -3.345 1.00 0.00 C ATOM 403 CD GLU A 24 14.175 0.240 -3.483 1.00 0.00 C ATOM 404 OE1 GLU A 24 12.986 -0.034 -3.487 1.00 0.00 O ATOM 405 OE2 GLU A 24 14.614 1.373 -3.585 1.00 0.00 O ATOM 0 H GLU A 24 12.228 -2.341 -0.629 1.00 0.00 H new ATOM 0 HA GLU A 24 13.284 -2.351 -2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.935 -0.677 -1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.055 -1.945 -1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.185 -0.554 -3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.953 -1.689 -4.073 1.00 0.00 H new ATOM 412 N GLY A 25 15.521 -4.127 -2.790 1.00 0.00 N ATOM 413 CA GLY A 25 16.128 -5.484 -2.918 1.00 0.00 C ATOM 414 C GLY A 25 17.607 -5.427 -2.520 1.00 0.00 C ATOM 415 O GLY A 25 17.929 -5.448 -1.349 1.00 0.00 O ATOM 0 H GLY A 25 15.911 -3.417 -3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.597 -6.192 -2.282 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.031 -5.841 -3.943 1.00 0.00 H new ATOM 419 N PRO A 26 18.467 -5.359 -3.508 1.00 0.00 N ATOM 420 CA PRO A 26 19.921 -5.300 -3.277 1.00 0.00 C ATOM 421 C PRO A 26 20.271 -4.055 -2.462 1.00 0.00 C ATOM 422 O PRO A 26 20.510 -4.123 -1.274 1.00 0.00 O ATOM 423 CB PRO A 26 20.540 -5.219 -4.679 1.00 0.00 C ATOM 424 CG PRO A 26 19.380 -5.237 -5.708 1.00 0.00 C ATOM 425 CD PRO A 26 18.062 -5.333 -4.925 1.00 0.00 C ATOM 0 HA PRO A 26 20.290 -6.160 -2.718 1.00 0.00 H new ATOM 0 HB2 PRO A 26 21.131 -4.309 -4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 26 21.215 -6.058 -4.848 1.00 0.00 H new ATOM 0 HG2 PRO A 26 19.397 -4.335 -6.319 1.00 0.00 H new ATOM 0 HG3 PRO A 26 19.484 -6.083 -6.387 1.00 0.00 H new ATOM 0 HD2 PRO A 26 17.414 -4.482 -5.136 1.00 0.00 H new ATOM 0 HD3 PRO A 26 17.506 -6.231 -5.194 1.00 0.00 H new ATOM 433 N ALA A 27 20.299 -2.921 -3.096 1.00 0.00 N ATOM 434 CA ALA A 27 20.628 -1.667 -2.369 1.00 0.00 C ATOM 435 C ALA A 27 19.431 -0.718 -2.443 1.00 0.00 C ATOM 436 O ALA A 27 18.293 -1.144 -2.451 1.00 0.00 O ATOM 437 CB ALA A 27 21.849 -1.012 -3.016 1.00 0.00 C ATOM 0 H ALA A 27 20.107 -2.807 -4.091 1.00 0.00 H new ATOM 0 HA ALA A 27 20.851 -1.890 -1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 27 22.093 -0.092 -2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 27 22.697 -1.695 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 27 21.629 -0.782 -4.058 1.00 0.00 H new ATOM 443 N HIS A 28 19.671 0.562 -2.500 1.00 0.00 N ATOM 444 CA HIS A 28 18.536 1.528 -2.575 1.00 0.00 C ATOM 445 C HIS A 28 17.462 1.118 -1.566 1.00 0.00 C ATOM 446 O HIS A 28 16.279 1.243 -1.820 1.00 0.00 O ATOM 447 CB HIS A 28 17.928 1.538 -3.988 1.00 0.00 C ATOM 448 CG HIS A 28 18.575 0.487 -4.855 1.00 0.00 C ATOM 449 ND1 HIS A 28 19.632 0.777 -5.701 1.00 0.00 N ATOM 450 CD2 HIS A 28 18.321 -0.854 -5.017 1.00 0.00 C ATOM 451 CE1 HIS A 28 19.974 -0.363 -6.330 1.00 0.00 C ATOM 452 NE2 HIS A 28 19.207 -1.388 -5.950 1.00 0.00 N ATOM 0 H HIS A 28 20.601 0.982 -2.498 1.00 0.00 H new ATOM 0 HA HIS A 28 18.906 2.527 -2.346 1.00 0.00 H new ATOM 0 HB2 HIS A 28 16.855 1.357 -3.929 1.00 0.00 H new ATOM 0 HB3 HIS A 28 18.061 2.521 -4.439 1.00 0.00 H new ATOM 0 HD1 HIS A 28 20.072 1.689 -5.825 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.552 -1.409 -4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 28 20.772 -0.439 -7.054 1.00 0.00 H new ATOM 460 N MET A 29 17.861 0.630 -0.424 1.00 0.00 N ATOM 461 CA MET A 29 16.861 0.213 0.599 1.00 0.00 C ATOM 462 C MET A 29 16.126 1.447 1.127 1.00 0.00 C ATOM 463 O MET A 29 15.167 1.342 1.866 1.00 0.00 O ATOM 464 CB MET A 29 17.573 -0.491 1.756 1.00 0.00 C ATOM 465 CG MET A 29 18.541 0.484 2.430 1.00 0.00 C ATOM 466 SD MET A 29 20.241 -0.085 2.181 1.00 0.00 S ATOM 467 CE MET A 29 21.035 1.540 2.222 1.00 0.00 C ATOM 0 H MET A 29 18.836 0.502 -0.155 1.00 0.00 H new ATOM 0 HA MET A 29 16.144 -0.471 0.146 1.00 0.00 H new ATOM 0 HB2 MET A 29 16.843 -0.853 2.480 1.00 0.00 H new ATOM 0 HB3 MET A 29 18.115 -1.362 1.387 1.00 0.00 H new ATOM 0 HG2 MET A 29 18.416 1.484 2.014 1.00 0.00 H new ATOM 0 HG3 MET A 29 18.322 0.553 3.495 1.00 0.00 H new ATOM 0 HE1 MET A 29 22.110 1.423 2.085 1.00 0.00 H new ATOM 0 HE2 MET A 29 20.633 2.162 1.422 1.00 0.00 H new ATOM 0 HE3 MET A 29 20.842 2.015 3.184 1.00 0.00 H new ATOM 477 N LYS A 30 16.570 2.617 0.756 1.00 0.00 N ATOM 478 CA LYS A 30 15.899 3.857 1.237 1.00 0.00 C ATOM 479 C LYS A 30 14.392 3.755 1.004 1.00 0.00 C ATOM 480 O LYS A 30 13.602 4.249 1.781 1.00 0.00 O ATOM 481 CB LYS A 30 16.450 5.064 0.476 1.00 0.00 C ATOM 482 CG LYS A 30 17.339 5.890 1.407 1.00 0.00 C ATOM 483 CD LYS A 30 17.874 7.111 0.655 1.00 0.00 C ATOM 484 CE LYS A 30 17.636 8.369 1.491 1.00 0.00 C ATOM 485 NZ LYS A 30 18.868 9.210 1.485 1.00 0.00 N ATOM 0 H LYS A 30 17.369 2.767 0.140 1.00 0.00 H new ATOM 0 HA LYS A 30 16.091 3.978 2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.022 4.731 -0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.630 5.676 0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 30 16.771 6.209 2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.168 5.282 1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 30 18.939 6.990 0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 30 17.377 7.204 -0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.795 8.933 1.087 1.00 0.00 H new ATOM 0 HE3 LYS A 30 17.374 8.095 2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 18.707 10.066 2.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 19.659 8.670 1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 19.098 9.482 0.508 1.00 0.00 H new ATOM 499 N ASN A 31 13.983 3.121 -0.059 1.00 0.00 N ATOM 500 CA ASN A 31 12.524 2.998 -0.334 1.00 0.00 C ATOM 501 C ASN A 31 11.980 1.734 0.329 1.00 0.00 C ATOM 502 O ASN A 31 12.720 0.834 0.677 1.00 0.00 O ATOM 503 CB ASN A 31 12.287 2.918 -1.844 1.00 0.00 C ATOM 504 CG ASN A 31 12.993 4.085 -2.538 1.00 0.00 C ATOM 505 OD1 ASN A 31 13.215 5.119 -1.940 1.00 0.00 O ATOM 506 ND2 ASN A 31 13.359 3.962 -3.785 1.00 0.00 N ATOM 0 H ASN A 31 14.594 2.683 -0.748 1.00 0.00 H new ATOM 0 HA ASN A 31 12.011 3.871 0.069 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.662 1.971 -2.231 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.218 2.948 -2.057 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.831 4.734 -4.256 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.173 3.094 -4.288 1.00 0.00 H new ATOM 513 N PHE A 32 10.691 1.659 0.507 1.00 0.00 N ATOM 514 CA PHE A 32 10.092 0.456 1.147 1.00 0.00 C ATOM 515 C PHE A 32 8.906 -0.026 0.313 1.00 0.00 C ATOM 516 O PHE A 32 7.993 0.727 0.033 1.00 0.00 O ATOM 517 CB PHE A 32 9.615 0.816 2.553 1.00 0.00 C ATOM 518 CG PHE A 32 10.788 0.767 3.497 1.00 0.00 C ATOM 519 CD1 PHE A 32 11.619 1.883 3.640 1.00 0.00 C ATOM 520 CD2 PHE A 32 11.048 -0.400 4.223 1.00 0.00 C ATOM 521 CE1 PHE A 32 12.713 1.832 4.511 1.00 0.00 C ATOM 522 CE2 PHE A 32 12.140 -0.451 5.094 1.00 0.00 C ATOM 523 CZ PHE A 32 12.975 0.664 5.238 1.00 0.00 C ATOM 0 H PHE A 32 10.024 2.382 0.236 1.00 0.00 H new ATOM 0 HA PHE A 32 10.838 -0.336 1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.171 1.811 2.556 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.841 0.120 2.878 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.416 2.783 3.079 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.406 -1.261 4.111 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.355 2.693 4.623 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.340 -1.351 5.656 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.820 0.623 5.909 1.00 0.00 H new ATOM 533 N ILE A 33 8.904 -1.275 -0.078 1.00 0.00 N ATOM 534 CA ILE A 33 7.771 -1.796 -0.889 1.00 0.00 C ATOM 535 C ILE A 33 6.694 -2.321 0.049 1.00 0.00 C ATOM 536 O ILE A 33 6.729 -3.453 0.488 1.00 0.00 O ATOM 537 CB ILE A 33 8.242 -2.935 -1.791 1.00 0.00 C ATOM 538 CG1 ILE A 33 9.714 -2.735 -2.162 1.00 0.00 C ATOM 539 CG2 ILE A 33 7.392 -2.957 -3.061 1.00 0.00 C ATOM 540 CD1 ILE A 33 9.903 -1.354 -2.788 1.00 0.00 C ATOM 0 H ILE A 33 9.638 -1.952 0.130 1.00 0.00 H new ATOM 0 HA ILE A 33 7.377 -0.991 -1.510 1.00 0.00 H new ATOM 0 HB ILE A 33 8.136 -3.882 -1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.339 -2.831 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.031 -3.509 -2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.725 -3.769 -3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.346 -3.110 -2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.498 -2.008 -3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.951 -1.214 -3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.290 -1.274 -3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.603 -0.587 -2.074 1.00 0.00 H new ATOM 552 N THR A 34 5.741 -1.502 0.363 1.00 0.00 N ATOM 553 CA THR A 34 4.658 -1.936 1.278 1.00 0.00 C ATOM 554 C THR A 34 3.522 -2.557 0.468 1.00 0.00 C ATOM 555 O THR A 34 2.834 -1.885 -0.274 1.00 0.00 O ATOM 556 CB THR A 34 4.140 -0.725 2.058 1.00 0.00 C ATOM 557 OG1 THR A 34 5.143 -0.286 2.963 1.00 0.00 O ATOM 558 CG2 THR A 34 2.880 -1.109 2.837 1.00 0.00 C ATOM 0 H THR A 34 5.663 -0.543 0.024 1.00 0.00 H new ATOM 0 HA THR A 34 5.044 -2.678 1.977 1.00 0.00 H new ATOM 0 HB THR A 34 3.898 0.077 1.361 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.721 0.046 3.783 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.516 -0.243 3.390 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.111 -1.445 2.142 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.115 -1.913 3.535 1.00 0.00 H new ATOM 566 N ALA A 35 3.324 -3.839 0.605 1.00 0.00 N ATOM 567 CA ALA A 35 2.235 -4.512 -0.153 1.00 0.00 C ATOM 568 C ALA A 35 0.895 -4.235 0.517 1.00 0.00 C ATOM 569 O ALA A 35 0.656 -4.648 1.627 1.00 0.00 O ATOM 570 CB ALA A 35 2.481 -6.006 -0.140 1.00 0.00 C ATOM 0 H ALA A 35 3.871 -4.450 1.211 1.00 0.00 H new ATOM 0 HA ALA A 35 2.219 -4.136 -1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.688 -6.510 -0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.442 -6.221 -0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.490 -6.364 0.889 1.00 0.00 H new ATOM 576 N CYS A 36 0.005 -3.564 -0.152 1.00 0.00 N ATOM 577 CA CYS A 36 -1.319 -3.294 0.475 1.00 0.00 C ATOM 578 C CYS A 36 -2.358 -4.143 -0.261 1.00 0.00 C ATOM 579 O CYS A 36 -2.523 -4.027 -1.447 1.00 0.00 O ATOM 580 CB CYS A 36 -1.671 -1.793 0.387 1.00 0.00 C ATOM 581 SG CYS A 36 -0.488 -0.903 -0.663 1.00 0.00 S ATOM 0 H CYS A 36 0.131 -3.194 -1.094 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.299 -3.554 1.533 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.678 -1.676 -0.014 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.673 -1.358 1.386 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.488 -1.423 -1.854 1.00 0.00 H new ATOM 587 N ILE A 37 -3.014 -5.041 0.419 1.00 0.00 N ATOM 588 CA ILE A 37 -3.988 -5.936 -0.279 1.00 0.00 C ATOM 589 C ILE A 37 -5.393 -5.328 -0.372 1.00 0.00 C ATOM 590 O ILE A 37 -5.948 -4.851 0.613 1.00 0.00 O ATOM 591 CB ILE A 37 -4.081 -7.271 0.477 1.00 0.00 C ATOM 592 CG1 ILE A 37 -4.493 -8.378 -0.485 1.00 0.00 C ATOM 593 CG2 ILE A 37 -5.137 -7.177 1.578 1.00 0.00 C ATOM 594 CD1 ILE A 37 -5.887 -8.081 -1.030 1.00 0.00 C ATOM 0 H ILE A 37 -2.921 -5.196 1.423 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.620 -6.079 -1.295 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.107 -7.491 0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.777 -8.448 -1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.488 -9.340 0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.196 -8.128 2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.864 -6.387 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.106 -6.949 1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.184 -8.872 -1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.598 -8.032 -0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.876 -7.126 -1.556 1.00 0.00 H new ATOM 606 N VAL A 38 -5.975 -5.420 -1.552 1.00 0.00 N ATOM 607 CA VAL A 38 -7.371 -4.941 -1.787 1.00 0.00 C ATOM 608 C VAL A 38 -8.060 -5.880 -2.781 1.00 0.00 C ATOM 609 O VAL A 38 -7.460 -6.361 -3.725 1.00 0.00 O ATOM 610 CB VAL A 38 -7.390 -3.538 -2.388 1.00 0.00 C ATOM 611 CG1 VAL A 38 -7.233 -2.493 -1.288 1.00 0.00 C ATOM 612 CG2 VAL A 38 -6.265 -3.408 -3.414 1.00 0.00 C ATOM 0 H VAL A 38 -5.525 -5.817 -2.376 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.883 -4.925 -0.825 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.345 -3.371 -2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.248 -1.496 -1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.053 -2.588 -0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.285 -2.647 -0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.278 -2.406 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.306 -3.581 -2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.407 -4.144 -4.205 1.00 0.00 H new ATOM 622 N GLY A 39 -9.320 -6.128 -2.582 1.00 0.00 N ATOM 623 CA GLY A 39 -10.076 -7.013 -3.516 1.00 0.00 C ATOM 624 C GLY A 39 -9.371 -8.359 -3.653 1.00 0.00 C ATOM 625 O GLY A 39 -9.601 -9.086 -4.598 1.00 0.00 O ATOM 0 H GLY A 39 -9.867 -5.754 -1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.091 -7.162 -3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.159 -6.537 -4.493 1.00 0.00 H new ATOM 629 N SER A 40 -8.516 -8.688 -2.719 1.00 0.00 N ATOM 630 CA SER A 40 -7.784 -9.992 -2.775 1.00 0.00 C ATOM 631 C SER A 40 -6.506 -9.827 -3.597 1.00 0.00 C ATOM 632 O SER A 40 -5.556 -10.569 -3.438 1.00 0.00 O ATOM 633 CB SER A 40 -8.670 -11.067 -3.406 1.00 0.00 C ATOM 634 OG SER A 40 -8.304 -11.240 -4.770 1.00 0.00 O ATOM 0 H SER A 40 -8.291 -8.105 -1.913 1.00 0.00 H new ATOM 0 HA SER A 40 -7.526 -10.299 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.560 -12.008 -2.866 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.719 -10.779 -3.333 1.00 0.00 H new ATOM 0 HG SER A 40 -8.603 -10.465 -5.290 1.00 0.00 H new ATOM 640 N ILE A 41 -6.462 -8.851 -4.463 1.00 0.00 N ATOM 641 CA ILE A 41 -5.234 -8.636 -5.273 1.00 0.00 C ATOM 642 C ILE A 41 -4.316 -7.694 -4.501 1.00 0.00 C ATOM 643 O ILE A 41 -4.742 -6.662 -4.019 1.00 0.00 O ATOM 644 CB ILE A 41 -5.604 -8.009 -6.618 1.00 0.00 C ATOM 645 CG1 ILE A 41 -6.908 -8.629 -7.125 1.00 0.00 C ATOM 646 CG2 ILE A 41 -4.489 -8.275 -7.631 1.00 0.00 C ATOM 647 CD1 ILE A 41 -8.056 -7.639 -6.919 1.00 0.00 C ATOM 0 H ILE A 41 -7.223 -8.196 -4.643 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.733 -9.586 -5.458 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.733 -6.934 -6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.817 -8.882 -8.181 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.114 -9.557 -6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.754 -7.828 -8.589 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.558 -7.837 -7.271 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.360 -9.350 -7.756 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.985 -8.079 -7.280 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.152 -7.408 -5.858 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.850 -6.723 -7.472 1.00 0.00 H new ATOM 659 N VAL A 42 -3.067 -8.037 -4.351 1.00 0.00 N ATOM 660 CA VAL A 42 -2.165 -7.142 -3.580 1.00 0.00 C ATOM 661 C VAL A 42 -1.490 -6.134 -4.495 1.00 0.00 C ATOM 662 O VAL A 42 -0.933 -6.462 -5.523 1.00 0.00 O ATOM 663 CB VAL A 42 -1.073 -7.930 -2.864 1.00 0.00 C ATOM 664 CG1 VAL A 42 -0.889 -7.366 -1.455 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.450 -9.412 -2.785 1.00 0.00 C ATOM 0 H VAL A 42 -2.638 -8.885 -4.723 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.788 -6.629 -2.847 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.141 -7.839 -3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.109 -7.926 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.601 -6.316 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.825 -7.453 -0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.661 -9.961 -2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.385 -9.521 -2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.573 -9.810 -3.792 1.00 0.00 H new ATOM 675 N THR A 43 -1.508 -4.915 -4.079 1.00 0.00 N ATOM 676 CA THR A 43 -0.844 -3.831 -4.836 1.00 0.00 C ATOM 677 C THR A 43 0.051 -3.093 -3.836 1.00 0.00 C ATOM 678 O THR A 43 -0.417 -2.399 -2.952 1.00 0.00 O ATOM 679 CB THR A 43 -1.910 -2.903 -5.453 1.00 0.00 C ATOM 680 OG1 THR A 43 -2.195 -3.340 -6.774 1.00 0.00 O ATOM 681 CG2 THR A 43 -1.419 -1.451 -5.503 1.00 0.00 C ATOM 0 H THR A 43 -1.968 -4.611 -3.221 1.00 0.00 H new ATOM 0 HA THR A 43 -0.243 -4.210 -5.663 1.00 0.00 H new ATOM 0 HB THR A 43 -2.805 -2.944 -4.832 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.873 -2.756 -7.173 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.192 -0.821 -5.943 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.201 -1.106 -4.492 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.515 -1.393 -6.109 1.00 0.00 H new ATOM 689 N GLU A 44 1.330 -3.299 -3.921 1.00 0.00 N ATOM 690 CA GLU A 44 2.250 -2.657 -2.944 1.00 0.00 C ATOM 691 C GLU A 44 2.552 -1.215 -3.328 1.00 0.00 C ATOM 692 O GLU A 44 1.982 -0.658 -4.245 1.00 0.00 O ATOM 693 CB GLU A 44 3.561 -3.449 -2.874 1.00 0.00 C ATOM 694 CG GLU A 44 4.479 -3.079 -4.050 1.00 0.00 C ATOM 695 CD GLU A 44 3.662 -2.956 -5.339 1.00 0.00 C ATOM 696 OE1 GLU A 44 3.359 -3.981 -5.925 1.00 0.00 O ATOM 697 OE2 GLU A 44 3.356 -1.837 -5.718 1.00 0.00 O ATOM 0 H GLU A 44 1.781 -3.884 -4.624 1.00 0.00 H new ATOM 0 HA GLU A 44 1.760 -2.656 -1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.067 -3.242 -1.931 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.348 -4.518 -2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.988 -2.138 -3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.251 -3.839 -4.171 1.00 0.00 H new ATOM 704 N GLY A 45 3.459 -0.618 -2.613 1.00 0.00 N ATOM 705 CA GLY A 45 3.840 0.798 -2.898 1.00 0.00 C ATOM 706 C GLY A 45 5.254 1.038 -2.374 1.00 0.00 C ATOM 707 O GLY A 45 5.493 1.010 -1.186 1.00 0.00 O ATOM 0 H GLY A 45 3.959 -1.050 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.796 0.993 -3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.139 1.482 -2.420 1.00 0.00 H new ATOM 711 N GLU A 46 6.198 1.251 -3.244 1.00 0.00 N ATOM 712 CA GLU A 46 7.594 1.454 -2.780 1.00 0.00 C ATOM 713 C GLU A 46 7.792 2.872 -2.239 1.00 0.00 C ATOM 714 O GLU A 46 8.357 3.725 -2.895 1.00 0.00 O ATOM 715 CB GLU A 46 8.544 1.214 -3.949 1.00 0.00 C ATOM 716 CG GLU A 46 8.005 1.909 -5.203 1.00 0.00 C ATOM 717 CD GLU A 46 9.172 2.481 -6.009 1.00 0.00 C ATOM 718 OE1 GLU A 46 10.185 2.797 -5.408 1.00 0.00 O ATOM 719 OE2 GLU A 46 9.033 2.595 -7.217 1.00 0.00 O ATOM 0 H GLU A 46 6.063 1.293 -4.254 1.00 0.00 H new ATOM 0 HA GLU A 46 7.803 0.751 -1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.536 1.596 -3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.649 0.144 -4.131 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.442 1.201 -5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.317 2.707 -4.923 1.00 0.00 H new ATOM 726 N GLY A 47 7.349 3.121 -1.035 1.00 0.00 N ATOM 727 CA GLY A 47 7.533 4.479 -0.438 1.00 0.00 C ATOM 728 C GLY A 47 9.015 4.856 -0.503 1.00 0.00 C ATOM 729 O GLY A 47 9.836 4.082 -0.953 1.00 0.00 O ATOM 0 H GLY A 47 6.869 2.446 -0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.934 5.212 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.188 4.486 0.596 1.00 0.00 H new ATOM 733 N ASN A 48 9.371 6.037 -0.069 1.00 0.00 N ATOM 734 CA ASN A 48 10.806 6.442 -0.128 1.00 0.00 C ATOM 735 C ASN A 48 11.279 6.960 1.234 1.00 0.00 C ATOM 736 O ASN A 48 11.260 8.146 1.499 1.00 0.00 O ATOM 737 CB ASN A 48 10.978 7.545 -1.175 1.00 0.00 C ATOM 738 CG ASN A 48 10.872 6.942 -2.576 1.00 0.00 C ATOM 739 OD1 ASN A 48 11.018 5.748 -2.749 1.00 0.00 O ATOM 740 ND2 ASN A 48 10.622 7.721 -3.592 1.00 0.00 N ATOM 0 H ASN A 48 8.736 6.733 0.321 1.00 0.00 H new ATOM 0 HA ASN A 48 11.404 5.571 -0.398 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.215 8.312 -1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.945 8.032 -1.050 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.549 7.328 -4.530 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.499 8.723 -3.448 1.00 0.00 H new ATOM 747 N GLY A 49 11.720 6.082 2.095 1.00 0.00 N ATOM 748 CA GLY A 49 12.213 6.524 3.433 1.00 0.00 C ATOM 749 C GLY A 49 11.880 5.463 4.481 1.00 0.00 C ATOM 750 O GLY A 49 10.992 4.656 4.292 1.00 0.00 O ATOM 0 H GLY A 49 11.760 5.076 1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.290 6.689 3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.753 7.474 3.705 1.00 0.00 H new ATOM 754 N LYS A 50 12.580 5.460 5.593 1.00 0.00 N ATOM 755 CA LYS A 50 12.286 4.452 6.654 1.00 0.00 C ATOM 756 C LYS A 50 10.772 4.345 6.799 1.00 0.00 C ATOM 757 O LYS A 50 10.178 3.326 6.509 1.00 0.00 O ATOM 758 CB LYS A 50 12.899 4.905 7.982 1.00 0.00 C ATOM 759 CG LYS A 50 14.424 4.851 7.884 1.00 0.00 C ATOM 760 CD LYS A 50 15.021 6.119 8.498 1.00 0.00 C ATOM 761 CE LYS A 50 16.336 6.454 7.794 1.00 0.00 C ATOM 762 NZ LYS A 50 17.426 5.603 8.349 1.00 0.00 N ATOM 0 H LYS A 50 13.337 6.109 5.807 1.00 0.00 H new ATOM 0 HA LYS A 50 12.711 3.485 6.384 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.575 5.919 8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.553 4.263 8.792 1.00 0.00 H new ATOM 0 HG2 LYS A 50 14.801 3.970 8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 50 14.729 4.761 6.841 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.321 6.949 8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 50 15.194 5.973 9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.240 6.287 6.721 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.577 7.508 7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.321 5.830 7.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.523 5.784 9.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.196 4.600 8.195 1.00 0.00 H new ATOM 776 N LYS A 51 10.141 5.410 7.203 1.00 0.00 N ATOM 777 CA LYS A 51 8.663 5.391 7.316 1.00 0.00 C ATOM 778 C LYS A 51 8.100 5.692 5.929 1.00 0.00 C ATOM 779 O LYS A 51 8.799 5.577 4.943 1.00 0.00 O ATOM 780 CB LYS A 51 8.205 6.463 8.307 1.00 0.00 C ATOM 781 CG LYS A 51 8.776 6.154 9.692 1.00 0.00 C ATOM 782 CD LYS A 51 8.944 7.456 10.477 1.00 0.00 C ATOM 783 CE LYS A 51 9.887 7.222 11.659 1.00 0.00 C ATOM 784 NZ LYS A 51 9.587 8.204 12.738 1.00 0.00 N ATOM 0 H LYS A 51 10.587 6.291 7.459 1.00 0.00 H new ATOM 0 HA LYS A 51 8.313 4.423 7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.539 7.446 7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.116 6.493 8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.111 5.477 10.228 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.737 5.648 9.596 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.344 8.235 9.828 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.975 7.805 10.835 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.770 6.206 12.035 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.923 7.325 11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.228 8.044 13.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.720 9.170 12.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.603 8.085 13.052 1.00 0.00 H new ATOM 798 N VAL A 52 6.860 6.077 5.837 1.00 0.00 N ATOM 799 CA VAL A 52 6.270 6.391 4.501 1.00 0.00 C ATOM 800 C VAL A 52 5.829 5.096 3.803 1.00 0.00 C ATOM 801 O VAL A 52 4.816 5.063 3.138 1.00 0.00 O ATOM 802 CB VAL A 52 7.307 7.160 3.649 1.00 0.00 C ATOM 803 CG1 VAL A 52 7.967 6.251 2.598 1.00 0.00 C ATOM 804 CG2 VAL A 52 6.609 8.322 2.939 1.00 0.00 C ATOM 0 H VAL A 52 6.226 6.189 6.628 1.00 0.00 H new ATOM 0 HA VAL A 52 5.389 7.021 4.627 1.00 0.00 H new ATOM 0 HB VAL A 52 8.087 7.528 4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.689 6.828 2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.477 5.428 3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.203 5.852 1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.334 8.869 2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.821 7.934 2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.174 8.993 3.680 1.00 0.00 H new ATOM 814 N SER A 53 6.581 4.034 3.942 1.00 0.00 N ATOM 815 CA SER A 53 6.195 2.756 3.280 1.00 0.00 C ATOM 816 C SER A 53 4.692 2.542 3.435 1.00 0.00 C ATOM 817 O SER A 53 4.001 2.221 2.490 1.00 0.00 O ATOM 818 CB SER A 53 6.949 1.593 3.928 1.00 0.00 C ATOM 819 OG SER A 53 6.305 1.234 5.144 1.00 0.00 O ATOM 0 H SER A 53 7.444 3.999 4.485 1.00 0.00 H new ATOM 0 HA SER A 53 6.450 2.803 2.221 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.975 0.739 3.251 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.983 1.878 4.121 1.00 0.00 H new ATOM 0 HG SER A 53 6.967 0.876 5.772 1.00 0.00 H new ATOM 825 N LYS A 54 4.180 2.735 4.617 1.00 0.00 N ATOM 826 CA LYS A 54 2.718 2.561 4.828 1.00 0.00 C ATOM 827 C LYS A 54 1.973 3.574 3.961 1.00 0.00 C ATOM 828 O LYS A 54 1.003 3.252 3.303 1.00 0.00 O ATOM 829 CB LYS A 54 2.379 2.798 6.301 1.00 0.00 C ATOM 830 CG LYS A 54 1.965 1.476 6.949 1.00 0.00 C ATOM 831 CD LYS A 54 2.972 1.106 8.039 1.00 0.00 C ATOM 832 CE LYS A 54 2.297 1.195 9.409 1.00 0.00 C ATOM 833 NZ LYS A 54 3.279 1.690 10.416 1.00 0.00 N ATOM 0 H LYS A 54 4.710 3.005 5.445 1.00 0.00 H new ATOM 0 HA LYS A 54 2.422 1.549 4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.241 3.216 6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.572 3.526 6.387 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.966 1.565 7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.921 0.688 6.197 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.350 0.097 7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.829 1.778 8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.440 1.866 9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.919 0.216 9.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.820 1.751 11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.084 1.033 10.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.619 2.632 10.136 1.00 0.00 H new ATOM 847 N LYS A 55 2.426 4.799 3.950 1.00 0.00 N ATOM 848 CA LYS A 55 1.755 5.836 3.119 1.00 0.00 C ATOM 849 C LYS A 55 1.847 5.436 1.645 1.00 0.00 C ATOM 850 O LYS A 55 0.877 5.023 1.048 1.00 0.00 O ATOM 851 CB LYS A 55 2.446 7.185 3.326 1.00 0.00 C ATOM 852 CG LYS A 55 2.048 7.762 4.686 1.00 0.00 C ATOM 853 CD LYS A 55 1.706 9.246 4.535 1.00 0.00 C ATOM 854 CE LYS A 55 2.913 9.996 3.967 1.00 0.00 C ATOM 855 NZ LYS A 55 3.597 10.736 5.065 1.00 0.00 N ATOM 0 H LYS A 55 3.233 5.125 4.482 1.00 0.00 H new ATOM 0 HA LYS A 55 0.708 5.919 3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.528 7.063 3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.165 7.875 2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.191 7.220 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.864 7.637 5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.847 9.366 3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.426 9.665 5.502 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.605 9.294 3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.591 10.690 3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.418 11.246 4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.935 11.416 5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.917 10.063 5.791 1.00 0.00 H new ATOM 869 N ARG A 56 3.011 5.559 1.057 1.00 0.00 N ATOM 870 CA ARG A 56 3.174 5.189 -0.380 1.00 0.00 C ATOM 871 C ARG A 56 2.364 3.930 -0.693 1.00 0.00 C ATOM 872 O ARG A 56 1.773 3.812 -1.747 1.00 0.00 O ATOM 873 CB ARG A 56 4.652 4.928 -0.675 1.00 0.00 C ATOM 874 CG ARG A 56 4.831 4.654 -2.170 1.00 0.00 C ATOM 875 CD ARG A 56 4.101 5.729 -2.980 1.00 0.00 C ATOM 876 NE ARG A 56 4.664 5.785 -4.361 1.00 0.00 N ATOM 877 CZ ARG A 56 5.944 5.615 -4.555 1.00 0.00 C ATOM 878 NH1 ARG A 56 6.802 6.415 -3.983 1.00 0.00 N ATOM 879 NH2 ARG A 56 6.365 4.647 -5.322 1.00 0.00 N ATOM 0 H ARG A 56 3.857 5.901 1.513 1.00 0.00 H new ATOM 0 HA ARG A 56 2.814 6.009 -1.001 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.251 5.789 -0.377 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.006 4.077 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.891 4.649 -2.425 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.439 3.668 -2.419 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.035 5.507 -3.020 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.206 6.699 -2.494 1.00 0.00 H new ATOM 0 HE ARG A 56 4.047 5.956 -5.155 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.473 7.173 -3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.802 6.283 -4.134 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.694 4.023 -5.770 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.365 4.514 -5.473 1.00 0.00 H new ATOM 893 N ALA A 57 2.322 2.987 0.210 1.00 0.00 N ATOM 894 CA ALA A 57 1.538 1.752 -0.060 1.00 0.00 C ATOM 895 C ALA A 57 0.059 2.138 -0.224 1.00 0.00 C ATOM 896 O ALA A 57 -0.576 1.771 -1.186 1.00 0.00 O ATOM 897 CB ALA A 57 1.696 0.751 1.096 1.00 0.00 C ATOM 0 H ALA A 57 2.793 3.019 1.114 1.00 0.00 H new ATOM 0 HA ALA A 57 1.904 1.278 -0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.116 -0.147 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.747 0.486 1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.337 1.203 2.020 1.00 0.00 H new ATOM 903 N ALA A 58 -0.489 2.875 0.714 1.00 0.00 N ATOM 904 CA ALA A 58 -1.929 3.291 0.621 1.00 0.00 C ATOM 905 C ALA A 58 -2.151 4.225 -0.575 1.00 0.00 C ATOM 906 O ALA A 58 -2.958 3.947 -1.441 1.00 0.00 O ATOM 907 CB ALA A 58 -2.346 4.021 1.902 1.00 0.00 C ATOM 0 H ALA A 58 0.000 3.209 1.544 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.532 2.392 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.392 4.319 1.827 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.219 3.357 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.725 4.907 2.035 1.00 0.00 H new ATOM 913 N GLU A 59 -1.462 5.340 -0.638 1.00 0.00 N ATOM 914 CA GLU A 59 -1.674 6.253 -1.798 1.00 0.00 C ATOM 915 C GLU A 59 -1.651 5.411 -3.060 1.00 0.00 C ATOM 916 O GLU A 59 -2.478 5.552 -3.931 1.00 0.00 O ATOM 917 CB GLU A 59 -0.561 7.300 -1.877 1.00 0.00 C ATOM 918 CG GLU A 59 -0.949 8.521 -1.039 1.00 0.00 C ATOM 919 CD GLU A 59 0.207 9.523 -1.025 1.00 0.00 C ATOM 920 OE1 GLU A 59 0.319 10.281 -1.974 1.00 0.00 O ATOM 921 OE2 GLU A 59 0.960 9.515 -0.065 1.00 0.00 O ATOM 0 H GLU A 59 -0.776 5.650 0.050 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.626 6.772 -1.684 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.376 6.879 -1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.397 7.594 -2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.843 8.988 -1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.190 8.214 -0.021 1.00 0.00 H new ATOM 928 N LYS A 60 -0.718 4.511 -3.141 1.00 0.00 N ATOM 929 CA LYS A 60 -0.639 3.623 -4.325 1.00 0.00 C ATOM 930 C LYS A 60 -1.947 2.835 -4.419 1.00 0.00 C ATOM 931 O LYS A 60 -2.516 2.683 -5.476 1.00 0.00 O ATOM 932 CB LYS A 60 0.542 2.663 -4.151 1.00 0.00 C ATOM 933 CG LYS A 60 0.430 1.526 -5.167 1.00 0.00 C ATOM 934 CD LYS A 60 1.708 1.465 -6.006 1.00 0.00 C ATOM 935 CE LYS A 60 1.708 0.183 -6.841 1.00 0.00 C ATOM 936 NZ LYS A 60 1.214 0.488 -8.214 1.00 0.00 N ATOM 0 H LYS A 60 -0.002 4.352 -2.432 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.492 4.204 -5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.482 3.197 -4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.551 2.260 -3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.274 0.578 -4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.434 1.684 -5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.770 2.336 -6.658 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.583 1.489 -5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.714 -0.233 -6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.073 -0.569 -6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.068 -0.400 -8.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.314 1.005 -8.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.915 1.072 -8.714 1.00 0.00 H new ATOM 950 N MET A 61 -2.420 2.341 -3.307 1.00 0.00 N ATOM 951 CA MET A 61 -3.688 1.561 -3.278 1.00 0.00 C ATOM 952 C MET A 61 -4.848 2.367 -3.845 1.00 0.00 C ATOM 953 O MET A 61 -5.364 2.092 -4.912 1.00 0.00 O ATOM 954 CB MET A 61 -4.036 1.253 -1.825 1.00 0.00 C ATOM 955 CG MET A 61 -3.348 -0.020 -1.393 1.00 0.00 C ATOM 956 SD MET A 61 -4.511 -1.386 -1.553 1.00 0.00 S ATOM 957 CE MET A 61 -3.603 -2.260 -2.837 1.00 0.00 C ATOM 0 H MET A 61 -1.970 2.449 -2.398 1.00 0.00 H new ATOM 0 HA MET A 61 -3.541 0.659 -3.872 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.727 2.079 -1.185 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.115 1.150 -1.714 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.466 -0.200 -2.008 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.006 0.066 -0.362 1.00 0.00 H new ATOM 0 HE1 MET A 61 -3.745 -3.334 -2.716 1.00 0.00 H new ATOM 0 HE2 MET A 61 -3.971 -1.953 -3.816 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.542 -2.023 -2.758 1.00 0.00 H new ATOM 967 N LEU A 62 -5.280 3.341 -3.101 1.00 0.00 N ATOM 968 CA LEU A 62 -6.434 4.163 -3.534 1.00 0.00 C ATOM 969 C LEU A 62 -6.148 4.713 -4.925 1.00 0.00 C ATOM 970 O LEU A 62 -6.880 4.476 -5.862 1.00 0.00 O ATOM 971 CB LEU A 62 -6.648 5.298 -2.527 1.00 0.00 C ATOM 972 CG LEU A 62 -6.704 4.757 -1.074 1.00 0.00 C ATOM 973 CD1 LEU A 62 -7.885 5.400 -0.352 1.00 0.00 C ATOM 974 CD2 LEU A 62 -6.890 3.224 -1.030 1.00 0.00 C ATOM 0 H LEU A 62 -4.877 3.604 -2.202 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.343 3.562 -3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.840 6.024 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.575 5.823 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.757 5.002 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.933 5.026 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.757 6.482 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.809 5.151 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.923 2.891 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.822 2.956 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.056 2.741 -1.539 1.00 0.00 H new ATOM 986 N VAL A 63 -5.072 5.418 -5.077 1.00 0.00 N ATOM 987 CA VAL A 63 -4.726 5.951 -6.417 1.00 0.00 C ATOM 988 C VAL A 63 -4.855 4.820 -7.444 1.00 0.00 C ATOM 989 O VAL A 63 -5.199 5.039 -8.589 1.00 0.00 O ATOM 990 CB VAL A 63 -3.287 6.460 -6.388 1.00 0.00 C ATOM 991 CG1 VAL A 63 -2.815 6.745 -7.805 1.00 0.00 C ATOM 992 CG2 VAL A 63 -3.216 7.742 -5.556 1.00 0.00 C ATOM 0 H VAL A 63 -4.415 5.650 -4.332 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.395 6.768 -6.687 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.645 5.701 -5.941 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.788 7.108 -7.780 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.862 5.830 -8.395 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.456 7.502 -8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.189 8.106 -5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.860 8.500 -6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.548 7.534 -4.539 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.579 3.608 -7.035 1.00 0.00 N ATOM 1003 CA GLU A 64 -4.678 2.449 -7.973 1.00 0.00 C ATOM 1004 C GLU A 64 -6.141 2.213 -8.363 1.00 0.00 C ATOM 1005 O GLU A 64 -6.510 2.340 -9.513 1.00 0.00 O ATOM 1006 CB GLU A 64 -4.132 1.186 -7.300 1.00 0.00 C ATOM 1007 CG GLU A 64 -2.893 0.697 -8.057 1.00 0.00 C ATOM 1008 CD GLU A 64 -1.948 1.872 -8.325 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -2.172 2.930 -7.762 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -1.013 1.691 -9.088 1.00 0.00 O ATOM 0 H GLU A 64 -4.288 3.370 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.094 2.672 -8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.877 1.396 -6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.895 0.408 -7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.379 -0.069 -7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.190 0.236 -8.999 1.00 0.00 H new ATOM 1017 N LEU A 65 -6.974 1.850 -7.422 1.00 0.00 N ATOM 1018 CA LEU A 65 -8.406 1.590 -7.769 1.00 0.00 C ATOM 1019 C LEU A 65 -8.995 2.795 -8.506 1.00 0.00 C ATOM 1020 O LEU A 65 -9.946 2.668 -9.250 1.00 0.00 O ATOM 1021 CB LEU A 65 -9.245 1.313 -6.514 1.00 0.00 C ATOM 1022 CG LEU A 65 -8.591 1.931 -5.282 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -9.670 2.498 -4.359 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -7.806 0.848 -4.544 1.00 0.00 C ATOM 0 H LEU A 65 -6.730 1.723 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.435 0.709 -8.410 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.247 1.721 -6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.354 0.238 -6.373 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.920 2.735 -5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.201 2.939 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.238 3.262 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.341 1.697 -4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.334 1.279 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.484 0.050 -4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.039 0.441 -5.203 1.00 0.00 H new ATOM 1036 N GLN A 66 -8.446 3.965 -8.313 1.00 0.00 N ATOM 1037 CA GLN A 66 -9.001 5.155 -9.018 1.00 0.00 C ATOM 1038 C GLN A 66 -8.470 5.177 -10.452 1.00 0.00 C ATOM 1039 O GLN A 66 -9.145 5.601 -11.370 1.00 0.00 O ATOM 1040 CB GLN A 66 -8.583 6.440 -8.291 1.00 0.00 C ATOM 1041 CG GLN A 66 -9.057 6.414 -6.827 1.00 0.00 C ATOM 1042 CD GLN A 66 -10.373 5.689 -6.691 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -11.272 5.844 -7.494 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -10.513 4.897 -5.683 1.00 0.00 N ATOM 0 H GLN A 66 -7.647 4.146 -7.705 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.089 5.096 -9.028 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.499 6.547 -8.326 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -9.006 7.306 -8.800 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.305 5.926 -6.207 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.161 7.434 -6.458 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -9.749 4.778 -5.018 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.388 4.390 -5.551 1.00 0.00 H new ATOM 1053 N LYS A 67 -7.269 4.715 -10.653 1.00 0.00 N ATOM 1054 CA LYS A 67 -6.697 4.699 -12.026 1.00 0.00 C ATOM 1055 C LYS A 67 -7.456 3.683 -12.880 1.00 0.00 C ATOM 1056 O LYS A 67 -7.757 3.924 -14.031 1.00 0.00 O ATOM 1057 CB LYS A 67 -5.220 4.306 -11.957 1.00 0.00 C ATOM 1058 CG LYS A 67 -4.352 5.559 -12.081 1.00 0.00 C ATOM 1059 CD LYS A 67 -3.245 5.315 -13.108 1.00 0.00 C ATOM 1060 CE LYS A 67 -2.160 6.381 -12.953 1.00 0.00 C ATOM 1061 NZ LYS A 67 -1.078 6.134 -13.948 1.00 0.00 N ATOM 0 H LYS A 67 -6.658 4.347 -9.924 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.789 5.690 -12.472 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.012 3.798 -11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.982 3.605 -12.757 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.963 6.409 -12.385 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.916 5.809 -11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.817 4.322 -12.968 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.657 5.345 -14.117 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.586 7.373 -13.101 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.752 6.357 -11.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.339 6.858 -13.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.666 5.193 -13.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.473 6.178 -14.909 1.00 0.00 H new ATOM 1075 N LEU A 68 -7.769 2.546 -12.322 1.00 0.00 N ATOM 1076 CA LEU A 68 -8.507 1.513 -13.093 1.00 0.00 C ATOM 1077 C LEU A 68 -9.921 2.013 -13.396 1.00 0.00 C ATOM 1078 O LEU A 68 -10.329 1.918 -14.542 1.00 0.00 O ATOM 1079 CB LEU A 68 -8.584 0.232 -12.264 1.00 0.00 C ATOM 1080 CG LEU A 68 -7.180 -0.165 -11.806 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -7.214 -1.576 -11.215 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -6.226 -0.139 -13.003 1.00 0.00 C ATOM 1083 OXT LEU A 68 -10.572 2.481 -12.477 1.00 0.00 O ATOM 0 H LEU A 68 -7.543 2.289 -11.361 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.988 1.313 -14.031 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.230 0.384 -11.400 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.026 -0.570 -12.855 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.834 0.538 -11.048 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.213 -1.858 -10.889 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.893 -1.597 -10.362 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.561 -2.279 -11.972 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.225 -0.422 -12.677 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.573 -0.842 -13.760 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.200 0.865 -13.425 1.00 0.00 H new TER 1095 LEU A 68