USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 403 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 28 HIS : no HE2:sc= -2.44 K(o=-1.1,f=-10!) USER MOD Set 1.2: A 30 LYS NZ :NH3+ 124:sc= 1.3 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0437) USER MOD Single : A 7 ASN : amide:sc= -1.26 K(o=-1.3,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.16) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= -0.0192 (180deg=-0.154) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.0026 X(o=-0.0026,f=0) USER MOD Single : A 33 SER OG : rot -42:sc= 1.27 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0195 X(o=-0.019,f=0) USER MOD Single : A 43 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0067) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 9.665 -5.251 -2.098 1.00 0.00 N ATOM 35 CA VAL A 3 8.691 -4.398 -2.761 1.00 0.00 C ATOM 36 C VAL A 3 7.588 -5.189 -3.455 1.00 0.00 C ATOM 37 O VAL A 3 6.463 -4.715 -3.552 1.00 0.00 O ATOM 38 CB VAL A 3 9.333 -3.366 -3.738 1.00 0.00 C ATOM 39 CG1 VAL A 3 10.226 -2.405 -2.976 1.00 0.00 C ATOM 40 CG2 VAL A 3 10.118 -4.053 -4.850 1.00 0.00 C ATOM 0 HA VAL A 3 8.230 -3.827 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 3 8.523 -2.806 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 3 10.668 -1.690 -3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.635 -1.871 -2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.018 -2.963 -2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.550 -3.300 -5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 3 10.916 -4.654 -4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.450 -4.697 -5.423 1.00 0.00 H new ATOM 50 N THR A 4 7.892 -6.404 -3.890 1.00 0.00 N ATOM 51 CA THR A 4 6.897 -7.240 -4.531 1.00 0.00 C ATOM 52 C THR A 4 5.796 -7.630 -3.514 1.00 0.00 C ATOM 53 O THR A 4 4.620 -7.738 -3.859 1.00 0.00 O ATOM 54 CB THR A 4 7.536 -8.507 -5.203 1.00 0.00 C ATOM 55 OG1 THR A 4 6.564 -9.187 -6.013 1.00 0.00 O ATOM 56 CG2 THR A 4 8.080 -9.486 -4.164 1.00 0.00 C ATOM 0 H THR A 4 8.816 -6.828 -3.810 1.00 0.00 H new ATOM 0 HA THR A 4 6.439 -6.663 -5.334 1.00 0.00 H new ATOM 0 HB THR A 4 8.363 -8.158 -5.821 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.976 -9.974 -6.427 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.514 -10.349 -4.669 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.846 -8.993 -3.566 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.269 -9.816 -3.515 1.00 0.00 H new ATOM 64 N LYS A 5 6.186 -7.756 -2.248 1.00 0.00 N ATOM 65 CA LYS A 5 5.260 -8.116 -1.192 1.00 0.00 C ATOM 66 C LYS A 5 4.447 -6.908 -0.791 1.00 0.00 C ATOM 67 O LYS A 5 3.270 -7.012 -0.477 1.00 0.00 O ATOM 68 CB LYS A 5 6.010 -8.712 0.008 1.00 0.00 C ATOM 69 CG LYS A 5 6.770 -9.996 -0.317 1.00 0.00 C ATOM 70 CD LYS A 5 5.818 -11.090 -0.785 1.00 0.00 C ATOM 71 CE LYS A 5 6.541 -12.371 -1.168 1.00 0.00 C ATOM 72 NZ LYS A 5 7.257 -12.983 -0.033 1.00 0.00 N ATOM 0 H LYS A 5 7.145 -7.612 -1.933 1.00 0.00 H new ATOM 0 HA LYS A 5 4.577 -8.881 -1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.713 -7.971 0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.296 -8.915 0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.511 -9.798 -1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.313 -10.335 0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.101 -11.305 0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.249 -10.729 -1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.820 -13.085 -1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.251 -12.157 -1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.661 -13.895 -0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.022 -12.350 0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.594 -13.136 0.754 1.00 0.00 H new ATOM 86 N LEU A 6 5.076 -5.753 -0.841 1.00 0.00 N ATOM 87 CA LEU A 6 4.403 -4.509 -0.538 1.00 0.00 C ATOM 88 C LEU A 6 3.395 -4.210 -1.647 1.00 0.00 C ATOM 89 O LEU A 6 2.272 -3.787 -1.388 1.00 0.00 O ATOM 90 CB LEU A 6 5.424 -3.375 -0.399 1.00 0.00 C ATOM 91 CG LEU A 6 4.897 -2.014 0.080 1.00 0.00 C ATOM 92 CD1 LEU A 6 4.178 -2.146 1.415 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.048 -1.032 0.207 1.00 0.00 C ATOM 0 H LEU A 6 6.060 -5.650 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 6 3.873 -4.594 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.199 -3.701 0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.903 -3.231 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 6 4.184 -1.644 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.815 -1.168 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.335 -2.829 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.868 -2.536 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.668 -0.068 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.772 -1.412 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.531 -0.910 -0.763 1.00 0.00 H new ATOM 105 N ASN A 7 3.799 -4.483 -2.879 1.00 0.00 N ATOM 106 CA ASN A 7 2.939 -4.309 -4.042 1.00 0.00 C ATOM 107 C ASN A 7 1.769 -5.292 -3.983 1.00 0.00 C ATOM 108 O ASN A 7 0.647 -4.957 -4.352 1.00 0.00 O ATOM 109 CB ASN A 7 3.727 -4.500 -5.343 1.00 0.00 C ATOM 110 CG ASN A 7 2.907 -4.229 -6.608 1.00 0.00 C ATOM 111 OD1 ASN A 7 3.108 -4.873 -7.628 1.00 0.00 O ATOM 112 ND2 ASN A 7 2.026 -3.250 -6.569 1.00 0.00 N ATOM 0 H ASN A 7 4.732 -4.831 -3.101 1.00 0.00 H new ATOM 0 HA ASN A 7 2.550 -3.291 -4.028 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.592 -3.837 -5.333 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.108 -5.521 -5.380 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.491 -3.012 -7.404 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.879 -2.730 -5.704 1.00 0.00 H new ATOM 119 N ASP A 8 2.044 -6.497 -3.499 1.00 0.00 N ATOM 120 CA ASP A 8 1.007 -7.525 -3.297 1.00 0.00 C ATOM 121 C ASP A 8 -0.049 -7.007 -2.333 1.00 0.00 C ATOM 122 O ASP A 8 -1.241 -7.204 -2.532 1.00 0.00 O ATOM 123 CB ASP A 8 1.629 -8.810 -2.742 1.00 0.00 C ATOM 124 CG ASP A 8 0.610 -9.894 -2.440 1.00 0.00 C ATOM 125 OD1 ASP A 8 0.318 -10.726 -3.338 1.00 0.00 O ATOM 126 OD2 ASP A 8 0.112 -9.961 -1.295 1.00 0.00 O ATOM 0 H ASP A 8 2.982 -6.797 -3.234 1.00 0.00 H new ATOM 0 HA ASP A 8 0.543 -7.748 -4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.354 -9.193 -3.460 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.178 -8.574 -1.830 1.00 0.00 H new ATOM 131 N ARG A 9 0.408 -6.307 -1.307 1.00 0.00 N ATOM 132 CA ARG A 9 -0.477 -5.689 -0.333 1.00 0.00 C ATOM 133 C ARG A 9 -1.332 -4.611 -0.994 1.00 0.00 C ATOM 134 O ARG A 9 -2.500 -4.477 -0.687 1.00 0.00 O ATOM 135 CB ARG A 9 0.320 -5.103 0.823 1.00 0.00 C ATOM 136 CG ARG A 9 1.061 -6.137 1.648 1.00 0.00 C ATOM 137 CD ARG A 9 1.922 -5.481 2.710 1.00 0.00 C ATOM 138 NE ARG A 9 1.135 -4.619 3.604 1.00 0.00 N ATOM 139 CZ ARG A 9 1.644 -3.676 4.405 1.00 0.00 C ATOM 140 NH1 ARG A 9 2.959 -3.489 4.474 1.00 0.00 N ATOM 141 NH2 ARG A 9 0.839 -2.928 5.145 1.00 0.00 N ATOM 0 H ARG A 9 1.400 -6.152 -1.126 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.139 -6.459 0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.039 -4.385 0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.357 -4.551 1.475 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.345 -6.809 2.121 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.686 -6.746 0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.422 -6.251 3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.701 -4.889 2.230 1.00 0.00 H new ATOM 0 HE ARG A 9 0.123 -4.750 3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.586 -4.066 3.914 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.340 -2.768 5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.170 -3.071 5.104 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.228 -2.209 5.755 1.00 0.00 H new ATOM 155 N ILE A 10 -0.737 -3.861 -1.917 1.00 0.00 N ATOM 156 CA ILE A 10 -1.460 -2.842 -2.695 1.00 0.00 C ATOM 157 C ILE A 10 -2.568 -3.515 -3.507 1.00 0.00 C ATOM 158 O ILE A 10 -3.711 -3.062 -3.531 1.00 0.00 O ATOM 159 CB ILE A 10 -0.503 -2.090 -3.668 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.588 -1.361 -2.888 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.269 -1.111 -4.566 1.00 0.00 C ATOM 162 CD1 ILE A 10 1.604 -0.663 -3.762 1.00 0.00 C ATOM 0 H ILE A 10 0.253 -3.936 -2.151 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.884 -2.119 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.035 -2.833 -4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.122 -0.626 -2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.104 -2.077 -2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.570 -0.604 -5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.002 -1.658 -5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.780 -0.373 -3.947 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.345 -0.169 -3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.099 -1.395 -4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.102 0.079 -4.383 1.00 0.00 H new ATOM 174 N GLU A 11 -2.215 -4.614 -4.132 1.00 0.00 N ATOM 175 CA GLU A 11 -3.133 -5.412 -4.935 1.00 0.00 C ATOM 176 C GLU A 11 -4.262 -5.953 -4.047 1.00 0.00 C ATOM 177 O GLU A 11 -5.433 -5.987 -4.437 1.00 0.00 O ATOM 178 CB GLU A 11 -2.357 -6.563 -5.554 1.00 0.00 C ATOM 179 CG GLU A 11 -3.144 -7.438 -6.496 1.00 0.00 C ATOM 180 CD GLU A 11 -2.320 -8.581 -7.000 1.00 0.00 C ATOM 181 OE1 GLU A 11 -1.570 -8.407 -7.976 1.00 0.00 O ATOM 182 OE2 GLU A 11 -2.411 -9.693 -6.432 1.00 0.00 O ATOM 0 H GLU A 11 -1.268 -4.991 -4.101 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.574 -4.800 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.502 -6.155 -6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.961 -7.185 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.027 -7.822 -5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.496 -6.843 -7.338 1.00 0.00 H new ATOM 189 N ALA A 12 -3.898 -6.343 -2.851 1.00 0.00 N ATOM 190 CA ALA A 12 -4.841 -6.822 -1.872 1.00 0.00 C ATOM 191 C ALA A 12 -5.787 -5.703 -1.429 1.00 0.00 C ATOM 192 O ALA A 12 -6.927 -5.962 -1.034 1.00 0.00 O ATOM 193 CB ALA A 12 -4.103 -7.398 -0.686 1.00 0.00 C ATOM 0 H ALA A 12 -2.931 -6.337 -2.527 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.445 -7.607 -2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.822 -7.758 0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.475 -8.226 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.479 -6.626 -0.236 1.00 0.00 H new ATOM 199 N LYS A 13 -5.326 -4.456 -1.518 1.00 0.00 N ATOM 200 CA LYS A 13 -6.147 -3.315 -1.163 1.00 0.00 C ATOM 201 C LYS A 13 -7.122 -3.051 -2.277 1.00 0.00 C ATOM 202 O LYS A 13 -8.242 -2.645 -2.029 1.00 0.00 O ATOM 203 CB LYS A 13 -5.307 -2.061 -0.882 1.00 0.00 C ATOM 204 CG LYS A 13 -4.302 -2.201 0.240 1.00 0.00 C ATOM 205 CD LYS A 13 -4.954 -2.583 1.547 1.00 0.00 C ATOM 206 CE LYS A 13 -3.908 -2.827 2.606 1.00 0.00 C ATOM 207 NZ LYS A 13 -4.514 -3.205 3.888 1.00 0.00 N ATOM 0 H LYS A 13 -4.386 -4.217 -1.834 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.681 -3.551 -0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.775 -1.787 -1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.980 -1.237 -0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.563 -2.955 -0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.766 -1.260 0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.629 -1.790 1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.558 -3.480 1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.232 -3.616 2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.307 -1.927 2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.773 -3.282 4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.203 -2.480 4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.996 -4.121 3.787 1.00 0.00 H new ATOM 221 N LYS A 14 -6.680 -3.310 -3.512 1.00 0.00 N ATOM 222 CA LYS A 14 -7.530 -3.182 -4.699 1.00 0.00 C ATOM 223 C LYS A 14 -8.734 -4.082 -4.523 1.00 0.00 C ATOM 224 O LYS A 14 -9.879 -3.647 -4.555 1.00 0.00 O ATOM 225 CB LYS A 14 -6.781 -3.684 -5.954 1.00 0.00 C ATOM 226 CG LYS A 14 -5.466 -3.000 -6.281 1.00 0.00 C ATOM 227 CD LYS A 14 -5.680 -1.573 -6.657 1.00 0.00 C ATOM 228 CE LYS A 14 -4.405 -0.927 -7.168 1.00 0.00 C ATOM 229 NZ LYS A 14 -4.664 0.391 -7.777 1.00 0.00 N ATOM 0 H LYS A 14 -5.728 -3.613 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.810 -2.135 -4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.589 -4.750 -5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.444 -3.575 -6.812 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.800 -3.056 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.974 -3.525 -7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.452 -1.511 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.046 -1.020 -5.792 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.699 -0.815 -6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.936 -1.581 -7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.769 0.800 -8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.317 0.281 -8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.089 1.023 -7.069 1.00 0.00 H new ATOM 243 N LYS A 15 -8.436 -5.331 -4.251 1.00 0.00 N ATOM 244 CA LYS A 15 -9.424 -6.375 -4.108 1.00 0.00 C ATOM 245 C LYS A 15 -10.338 -6.131 -2.924 1.00 0.00 C ATOM 246 O LYS A 15 -11.528 -6.423 -2.982 1.00 0.00 O ATOM 247 CB LYS A 15 -8.718 -7.724 -3.954 1.00 0.00 C ATOM 248 CG LYS A 15 -7.837 -8.117 -5.139 1.00 0.00 C ATOM 249 CD LYS A 15 -8.642 -8.294 -6.424 1.00 0.00 C ATOM 250 CE LYS A 15 -9.636 -9.436 -6.302 1.00 0.00 C ATOM 251 NZ LYS A 15 -10.444 -9.609 -7.521 1.00 0.00 N ATOM 0 H LYS A 15 -7.478 -5.657 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.045 -6.378 -5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.104 -7.698 -3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.470 -8.498 -3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.075 -7.353 -5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.315 -9.046 -4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.173 -7.370 -6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.965 -8.486 -7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.099 -10.361 -6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.296 -9.251 -5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.107 -10.400 -7.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.978 -8.737 -7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.818 -9.813 -8.326 1.00 0.00 H new ATOM 265 N GLU A 16 -9.788 -5.581 -1.871 1.00 0.00 N ATOM 266 CA GLU A 16 -10.542 -5.364 -0.658 1.00 0.00 C ATOM 267 C GLU A 16 -11.459 -4.163 -0.825 1.00 0.00 C ATOM 268 O GLU A 16 -12.653 -4.231 -0.528 1.00 0.00 O ATOM 269 CB GLU A 16 -9.607 -5.122 0.516 1.00 0.00 C ATOM 270 CG GLU A 16 -10.216 -5.475 1.856 1.00 0.00 C ATOM 271 CD GLU A 16 -10.346 -6.971 2.031 1.00 0.00 C ATOM 272 OE1 GLU A 16 -11.320 -7.576 1.547 1.00 0.00 O ATOM 273 OE2 GLU A 16 -9.439 -7.583 2.635 1.00 0.00 O ATOM 0 H GLU A 16 -8.816 -5.273 -1.827 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.137 -6.255 -0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.699 -5.707 0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.312 -4.073 0.525 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.598 -5.067 2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.198 -5.011 1.943 1.00 0.00 H new ATOM 280 N LEU A 17 -10.901 -3.083 -1.340 1.00 0.00 N ATOM 281 CA LEU A 17 -11.626 -1.845 -1.497 1.00 0.00 C ATOM 282 C LEU A 17 -12.798 -2.005 -2.445 1.00 0.00 C ATOM 283 O LEU A 17 -13.913 -1.647 -2.095 1.00 0.00 O ATOM 284 CB LEU A 17 -10.701 -0.728 -1.977 1.00 0.00 C ATOM 285 CG LEU A 17 -11.326 0.659 -2.089 1.00 0.00 C ATOM 286 CD1 LEU A 17 -11.815 1.128 -0.730 1.00 0.00 C ATOM 287 CD2 LEU A 17 -10.321 1.641 -2.661 1.00 0.00 C ATOM 0 H LEU A 17 -9.933 -3.044 -1.660 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.020 -1.572 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.853 -0.668 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.306 -1.006 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.181 0.606 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.259 2.119 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.562 0.431 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.975 1.171 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.779 2.627 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.451 1.694 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.011 1.308 -3.652 1.00 0.00 H new ATOM 299 N ILE A 18 -12.549 -2.574 -3.623 1.00 0.00 N ATOM 300 CA ILE A 18 -13.602 -2.753 -4.622 1.00 0.00 C ATOM 301 C ILE A 18 -14.727 -3.615 -4.050 1.00 0.00 C ATOM 302 O ILE A 18 -15.900 -3.274 -4.173 1.00 0.00 O ATOM 303 CB ILE A 18 -13.055 -3.386 -5.934 1.00 0.00 C ATOM 304 CG1 ILE A 18 -11.933 -2.509 -6.515 1.00 0.00 C ATOM 305 CG2 ILE A 18 -14.182 -3.546 -6.957 1.00 0.00 C ATOM 306 CD1 ILE A 18 -11.237 -3.105 -7.726 1.00 0.00 C ATOM 0 H ILE A 18 -11.632 -2.918 -3.909 1.00 0.00 H new ATOM 0 HA ILE A 18 -13.992 -1.766 -4.871 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.650 -4.372 -5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.351 -1.541 -6.791 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.191 -2.326 -5.738 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.785 -3.990 -7.870 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -14.957 -4.193 -6.546 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.608 -2.569 -7.185 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.461 -2.423 -8.072 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.786 -4.059 -7.454 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.964 -3.261 -8.523 1.00 0.00 H new ATOM 318 N TYR A 19 -14.339 -4.671 -3.356 1.00 0.00 N ATOM 319 CA TYR A 19 -15.262 -5.607 -2.724 1.00 0.00 C ATOM 320 C TYR A 19 -16.184 -4.869 -1.732 1.00 0.00 C ATOM 321 O TYR A 19 -17.408 -5.096 -1.691 1.00 0.00 O ATOM 322 CB TYR A 19 -14.423 -6.678 -2.012 1.00 0.00 C ATOM 323 CG TYR A 19 -15.173 -7.800 -1.344 1.00 0.00 C ATOM 324 CD1 TYR A 19 -15.820 -8.769 -2.092 1.00 0.00 C ATOM 325 CD2 TYR A 19 -15.200 -7.911 0.041 1.00 0.00 C ATOM 326 CE1 TYR A 19 -16.478 -9.812 -1.483 1.00 0.00 C ATOM 327 CE2 TYR A 19 -15.851 -8.955 0.656 1.00 0.00 C ATOM 328 CZ TYR A 19 -16.487 -9.905 -0.110 1.00 0.00 C ATOM 329 OH TYR A 19 -17.145 -10.955 0.501 1.00 0.00 O ATOM 0 H TYR A 19 -13.358 -4.909 -3.212 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.905 -6.075 -3.469 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -13.740 -7.114 -2.741 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.811 -6.183 -1.258 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.808 -8.705 -3.170 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -14.702 -7.166 0.644 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.986 -10.555 -2.080 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -15.863 -9.029 1.733 1.00 0.00 H new ATOM 0 HH TYR A 19 -17.056 -10.875 1.474 1.00 0.00 H new ATOM 339 N LEU A 20 -15.606 -3.963 -0.967 1.00 0.00 N ATOM 340 CA LEU A 20 -16.362 -3.191 -0.002 1.00 0.00 C ATOM 341 C LEU A 20 -17.212 -2.119 -0.688 1.00 0.00 C ATOM 342 O LEU A 20 -18.306 -1.800 -0.225 1.00 0.00 O ATOM 343 CB LEU A 20 -15.445 -2.579 1.051 1.00 0.00 C ATOM 344 CG LEU A 20 -14.601 -3.574 1.854 1.00 0.00 C ATOM 345 CD1 LEU A 20 -13.761 -2.848 2.869 1.00 0.00 C ATOM 346 CD2 LEU A 20 -15.471 -4.620 2.534 1.00 0.00 C ATOM 0 H LEU A 20 -14.610 -3.743 -0.996 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.043 -3.873 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.774 -1.876 0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.055 -2.003 1.747 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.943 -4.092 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.167 -3.568 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -13.097 -2.150 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.409 -2.300 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.840 -5.309 3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.166 -4.128 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -16.032 -5.173 1.780 1.00 0.00 H new ATOM 358 N VAL A 21 -16.720 -1.579 -1.794 1.00 0.00 N ATOM 359 CA VAL A 21 -17.475 -0.593 -2.577 1.00 0.00 C ATOM 360 C VAL A 21 -18.721 -1.251 -3.195 1.00 0.00 C ATOM 361 O VAL A 21 -19.778 -0.617 -3.329 1.00 0.00 O ATOM 362 CB VAL A 21 -16.596 0.082 -3.695 1.00 0.00 C ATOM 363 CG1 VAL A 21 -17.421 1.023 -4.569 1.00 0.00 C ATOM 364 CG2 VAL A 21 -15.448 0.859 -3.073 1.00 0.00 C ATOM 0 H VAL A 21 -15.801 -1.803 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.785 0.198 -1.894 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.203 -0.719 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -16.780 1.470 -5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -18.221 0.462 -5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -17.852 1.810 -3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -14.851 1.319 -3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.846 1.635 -2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.822 0.181 -2.492 1.00 0.00 H new ATOM 374 N GLU A 22 -18.596 -2.512 -3.558 1.00 0.00 N ATOM 375 CA GLU A 22 -19.714 -3.252 -4.097 1.00 0.00 C ATOM 376 C GLU A 22 -20.785 -3.508 -3.044 1.00 0.00 C ATOM 377 O GLU A 22 -21.970 -3.289 -3.296 1.00 0.00 O ATOM 378 CB GLU A 22 -19.282 -4.571 -4.723 1.00 0.00 C ATOM 379 CG GLU A 22 -18.267 -4.422 -5.826 1.00 0.00 C ATOM 380 CD GLU A 22 -18.089 -5.682 -6.600 1.00 0.00 C ATOM 381 OE1 GLU A 22 -17.363 -6.578 -6.162 1.00 0.00 O ATOM 382 OE2 GLU A 22 -18.694 -5.786 -7.695 1.00 0.00 O ATOM 0 H GLU A 22 -17.729 -3.044 -3.488 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.139 -2.625 -4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.867 -5.212 -3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.162 -5.079 -5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.580 -3.625 -6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.310 -4.122 -5.399 1.00 0.00 H new ATOM 389 N LYS A 23 -20.371 -3.979 -1.879 1.00 0.00 N ATOM 390 CA LYS A 23 -21.321 -4.342 -0.833 1.00 0.00 C ATOM 391 C LYS A 23 -21.811 -3.160 -0.001 1.00 0.00 C ATOM 392 O LYS A 23 -23.013 -3.011 0.229 1.00 0.00 O ATOM 393 CB LYS A 23 -20.769 -5.440 0.075 1.00 0.00 C ATOM 394 CG LYS A 23 -20.509 -6.767 -0.624 1.00 0.00 C ATOM 395 CD LYS A 23 -20.106 -7.835 0.377 1.00 0.00 C ATOM 396 CE LYS A 23 -19.872 -9.189 -0.284 1.00 0.00 C ATOM 397 NZ LYS A 23 -21.063 -9.697 -1.004 1.00 0.00 N ATOM 0 H LYS A 23 -19.391 -4.119 -1.632 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.192 -4.726 -1.365 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.838 -5.091 0.521 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.472 -5.606 0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -21.405 -7.083 -1.159 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.721 -6.643 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.197 -7.523 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -20.884 -7.932 1.134 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -19.040 -9.106 -0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -19.579 -9.912 0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -20.910 -10.690 -1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.897 -9.629 -0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.219 -9.128 -1.861 1.00 0.00 H new ATOM 411 N TYR A 24 -20.905 -2.338 0.451 1.00 0.00 N ATOM 412 CA TYR A 24 -21.267 -1.228 1.315 1.00 0.00 C ATOM 413 C TYR A 24 -21.337 0.047 0.530 1.00 0.00 C ATOM 414 O TYR A 24 -22.279 0.825 0.665 1.00 0.00 O ATOM 415 CB TYR A 24 -20.254 -1.065 2.450 1.00 0.00 C ATOM 416 CG TYR A 24 -20.143 -2.259 3.357 1.00 0.00 C ATOM 417 CD1 TYR A 24 -21.059 -2.466 4.372 1.00 0.00 C ATOM 418 CD2 TYR A 24 -19.117 -3.182 3.201 1.00 0.00 C ATOM 419 CE1 TYR A 24 -20.961 -3.553 5.206 1.00 0.00 C ATOM 420 CE2 TYR A 24 -19.012 -4.274 4.031 1.00 0.00 C ATOM 421 CZ TYR A 24 -19.937 -4.456 5.032 1.00 0.00 C ATOM 422 OH TYR A 24 -19.834 -5.541 5.865 1.00 0.00 O ATOM 0 H TYR A 24 -19.909 -2.408 0.241 1.00 0.00 H new ATOM 0 HA TYR A 24 -22.246 -1.446 1.742 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -19.274 -0.858 2.020 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -20.531 -0.195 3.046 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -21.865 -1.761 4.511 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -18.390 -3.040 2.415 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -21.684 -3.698 5.995 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -18.209 -4.983 3.897 1.00 0.00 H new ATOM 0 HH TYR A 24 -19.057 -6.080 5.606 1.00 0.00 H new ATOM 432 N GLY A 25 -20.354 0.248 -0.294 1.00 0.00 N ATOM 433 CA GLY A 25 -20.266 1.457 -1.062 1.00 0.00 C ATOM 434 C GLY A 25 -19.283 2.430 -0.455 1.00 0.00 C ATOM 435 O GLY A 25 -19.012 2.386 0.757 1.00 0.00 O ATOM 0 H GLY A 25 -19.595 -0.414 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -19.962 1.220 -2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.250 1.923 -1.123 1.00 0.00 H new ATOM 439 N PHE A 26 -18.752 3.302 -1.273 1.00 0.00 N ATOM 440 CA PHE A 26 -17.785 4.275 -0.835 1.00 0.00 C ATOM 441 C PHE A 26 -18.526 5.464 -0.234 1.00 0.00 C ATOM 442 O PHE A 26 -18.802 6.456 -0.908 1.00 0.00 O ATOM 443 CB PHE A 26 -16.881 4.712 -2.012 1.00 0.00 C ATOM 444 CG PHE A 26 -15.702 5.583 -1.635 1.00 0.00 C ATOM 445 CD1 PHE A 26 -15.822 6.964 -1.573 1.00 0.00 C ATOM 446 CD2 PHE A 26 -14.477 5.016 -1.353 1.00 0.00 C ATOM 447 CE1 PHE A 26 -14.745 7.751 -1.236 1.00 0.00 C ATOM 448 CE2 PHE A 26 -13.395 5.800 -1.016 1.00 0.00 C ATOM 449 CZ PHE A 26 -13.529 7.169 -0.956 1.00 0.00 C ATOM 0 H PHE A 26 -18.979 3.357 -2.266 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.136 3.837 -0.076 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.506 3.819 -2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.492 5.250 -2.737 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.773 7.427 -1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.364 3.943 -1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -14.853 8.825 -1.191 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -12.442 5.341 -0.799 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.683 7.785 -0.690 1.00 0.00 H new ATOM 459 N THR A 27 -18.926 5.319 0.998 1.00 0.00 N ATOM 460 CA THR A 27 -19.649 6.360 1.669 1.00 0.00 C ATOM 461 C THR A 27 -19.080 6.585 3.068 1.00 0.00 C ATOM 462 O THR A 27 -18.583 7.681 3.375 1.00 0.00 O ATOM 463 CB THR A 27 -21.154 6.017 1.734 1.00 0.00 C ATOM 464 OG1 THR A 27 -21.618 5.694 0.410 1.00 0.00 O ATOM 465 CG2 THR A 27 -21.960 7.192 2.263 1.00 0.00 C ATOM 0 H THR A 27 -18.762 4.484 1.560 1.00 0.00 H new ATOM 0 HA THR A 27 -19.537 7.285 1.103 1.00 0.00 H new ATOM 0 HB THR A 27 -21.287 5.171 2.408 1.00 0.00 H new ATOM 0 HG1 THR A 27 -22.572 5.473 0.443 1.00 0.00 H new ATOM 0 HG21 THR A 27 -23.016 6.923 2.298 1.00 0.00 H new ATOM 0 HG22 THR A 27 -21.617 7.447 3.266 1.00 0.00 H new ATOM 0 HG23 THR A 27 -21.826 8.051 1.605 1.00 0.00 H new ATOM 473 N HIS A 28 -19.119 5.552 3.905 1.00 0.00 N ATOM 474 CA HIS A 28 -18.593 5.673 5.254 1.00 0.00 C ATOM 475 C HIS A 28 -17.057 5.682 5.261 1.00 0.00 C ATOM 476 O HIS A 28 -16.404 5.111 4.356 1.00 0.00 O ATOM 477 CB HIS A 28 -19.194 4.620 6.233 1.00 0.00 C ATOM 478 CG HIS A 28 -18.988 3.173 5.872 1.00 0.00 C ATOM 479 ND1 HIS A 28 -20.011 2.273 5.676 1.00 0.00 N ATOM 480 CD2 HIS A 28 -17.851 2.468 5.735 1.00 0.00 C ATOM 481 CE1 HIS A 28 -19.478 1.082 5.438 1.00 0.00 C ATOM 482 NE2 HIS A 28 -18.154 1.141 5.464 1.00 0.00 N ATOM 0 H HIS A 28 -19.504 4.636 3.675 1.00 0.00 H new ATOM 0 HA HIS A 28 -18.917 6.642 5.634 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -18.766 4.789 7.221 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -20.266 4.802 6.314 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -21.008 2.486 5.708 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -16.854 2.873 5.823 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -20.047 0.184 5.248 1.00 0.00 H new ATOM 490 N HIS A 29 -16.495 6.288 6.295 1.00 0.00 N ATOM 491 CA HIS A 29 -15.055 6.526 6.406 1.00 0.00 C ATOM 492 C HIS A 29 -14.209 5.267 6.441 1.00 0.00 C ATOM 493 O HIS A 29 -13.026 5.321 6.125 1.00 0.00 O ATOM 494 CB HIS A 29 -14.715 7.465 7.568 1.00 0.00 C ATOM 495 CG HIS A 29 -15.199 8.871 7.361 1.00 0.00 C ATOM 496 ND1 HIS A 29 -16.375 9.371 7.878 1.00 0.00 N ATOM 497 CD2 HIS A 29 -14.633 9.889 6.667 1.00 0.00 C ATOM 498 CE1 HIS A 29 -16.490 10.645 7.488 1.00 0.00 C ATOM 499 NE2 HIS A 29 -15.454 11.012 6.749 1.00 0.00 N ATOM 0 H HIS A 29 -17.028 6.634 7.093 1.00 0.00 H new ATOM 0 HA HIS A 29 -14.786 7.026 5.476 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -15.153 7.070 8.485 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -13.634 7.478 7.710 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -13.695 9.838 6.135 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -17.318 11.290 7.742 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -15.291 11.926 6.328 1.00 0.00 H new ATOM 507 N LYS A 30 -14.794 4.143 6.823 1.00 0.00 N ATOM 508 CA LYS A 30 -14.072 2.881 6.780 1.00 0.00 C ATOM 509 C LYS A 30 -13.640 2.539 5.347 1.00 0.00 C ATOM 510 O LYS A 30 -12.471 2.265 5.101 1.00 0.00 O ATOM 511 CB LYS A 30 -14.866 1.741 7.451 1.00 0.00 C ATOM 512 CG LYS A 30 -14.310 0.343 7.190 1.00 0.00 C ATOM 513 CD LYS A 30 -14.908 -0.708 8.124 1.00 0.00 C ATOM 514 CE LYS A 30 -16.435 -0.781 8.084 1.00 0.00 C ATOM 515 NZ LYS A 30 -16.968 -1.158 6.760 1.00 0.00 N ATOM 0 H LYS A 30 -15.754 4.078 7.162 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.160 2.999 7.366 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.888 1.915 8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.898 1.779 7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.512 0.062 6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.227 0.358 7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.501 -1.685 7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.592 -0.494 9.145 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.777 -1.504 8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.846 0.187 8.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.572 -1.999 6.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.528 -0.371 6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.179 -1.370 6.116 1.00 0.00 H new ATOM 529 N VAL A 31 -14.551 2.650 4.396 1.00 0.00 N ATOM 530 CA VAL A 31 -14.211 2.361 3.004 1.00 0.00 C ATOM 531 C VAL A 31 -13.225 3.425 2.498 1.00 0.00 C ATOM 532 O VAL A 31 -12.274 3.128 1.769 1.00 0.00 O ATOM 533 CB VAL A 31 -15.477 2.302 2.095 1.00 0.00 C ATOM 534 CG1 VAL A 31 -15.106 1.981 0.658 1.00 0.00 C ATOM 535 CG2 VAL A 31 -16.450 1.258 2.612 1.00 0.00 C ATOM 0 H VAL A 31 -15.518 2.933 4.552 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.746 1.376 2.958 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.950 3.284 2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -16.009 1.947 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.438 2.752 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.605 1.014 0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.328 1.229 1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.968 0.280 2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.753 1.514 3.627 1.00 0.00 H new ATOM 545 N ILE A 32 -13.415 4.650 2.967 1.00 0.00 N ATOM 546 CA ILE A 32 -12.542 5.753 2.607 1.00 0.00 C ATOM 547 C ILE A 32 -11.102 5.509 3.132 1.00 0.00 C ATOM 548 O ILE A 32 -10.124 5.814 2.440 1.00 0.00 O ATOM 549 CB ILE A 32 -13.094 7.115 3.131 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.531 7.335 2.615 1.00 0.00 C ATOM 551 CG2 ILE A 32 -12.188 8.272 2.693 1.00 0.00 C ATOM 552 CD1 ILE A 32 -15.186 8.616 3.099 1.00 0.00 C ATOM 0 H ILE A 32 -14.172 4.904 3.602 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.510 5.805 1.519 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.109 7.087 4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.515 7.340 1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.147 6.489 2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.591 9.212 3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.186 8.121 3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.142 8.306 1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.193 8.688 2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.239 8.609 4.188 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.597 9.472 2.770 1.00 0.00 H new ATOM 564 N SER A 33 -10.975 4.917 4.329 1.00 0.00 N ATOM 565 CA SER A 33 -9.659 4.646 4.901 1.00 0.00 C ATOM 566 C SER A 33 -8.878 3.647 4.051 1.00 0.00 C ATOM 567 O SER A 33 -7.676 3.799 3.873 1.00 0.00 O ATOM 568 CB SER A 33 -9.729 4.217 6.388 1.00 0.00 C ATOM 569 OG SER A 33 -10.461 3.012 6.586 1.00 0.00 O ATOM 0 H SER A 33 -11.760 4.622 4.909 1.00 0.00 H new ATOM 0 HA SER A 33 -9.110 5.588 4.887 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.717 4.088 6.771 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.190 5.015 6.969 1.00 0.00 H new ATOM 0 HG SER A 33 -11.269 3.025 6.032 1.00 0.00 H new ATOM 575 N PHE A 34 -9.578 2.665 3.469 1.00 0.00 N ATOM 576 CA PHE A 34 -8.923 1.698 2.583 1.00 0.00 C ATOM 577 C PHE A 34 -8.368 2.382 1.359 1.00 0.00 C ATOM 578 O PHE A 34 -7.286 2.054 0.898 1.00 0.00 O ATOM 579 CB PHE A 34 -9.864 0.585 2.149 1.00 0.00 C ATOM 580 CG PHE A 34 -10.165 -0.415 3.192 1.00 0.00 C ATOM 581 CD1 PHE A 34 -9.344 -1.507 3.366 1.00 0.00 C ATOM 582 CD2 PHE A 34 -11.269 -0.280 3.983 1.00 0.00 C ATOM 583 CE1 PHE A 34 -9.625 -2.447 4.322 1.00 0.00 C ATOM 584 CE2 PHE A 34 -11.564 -1.206 4.941 1.00 0.00 C ATOM 585 CZ PHE A 34 -10.742 -2.299 5.117 1.00 0.00 C ATOM 0 H PHE A 34 -10.580 2.521 3.593 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.110 1.254 3.157 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.800 1.031 1.812 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.428 0.074 1.291 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.470 -1.623 2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.919 0.572 3.849 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.975 -3.300 4.452 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.440 -1.083 5.560 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.972 -3.035 5.873 1.00 0.00 H new ATOM 595 N SER A 35 -9.100 3.354 0.856 1.00 0.00 N ATOM 596 CA SER A 35 -8.678 4.104 -0.299 1.00 0.00 C ATOM 597 C SER A 35 -7.414 4.912 0.037 1.00 0.00 C ATOM 598 O SER A 35 -6.462 4.953 -0.749 1.00 0.00 O ATOM 599 CB SER A 35 -9.829 5.006 -0.783 1.00 0.00 C ATOM 600 OG SER A 35 -9.507 5.708 -1.974 1.00 0.00 O ATOM 0 H SER A 35 -10.001 3.643 1.238 1.00 0.00 H new ATOM 0 HA SER A 35 -8.427 3.424 -1.113 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.717 4.397 -0.953 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.079 5.722 0.000 1.00 0.00 H new ATOM 0 HG SER A 35 -10.268 6.265 -2.242 1.00 0.00 H new ATOM 606 N GLN A 36 -7.387 5.489 1.233 1.00 0.00 N ATOM 607 CA GLN A 36 -6.241 6.266 1.674 1.00 0.00 C ATOM 608 C GLN A 36 -5.045 5.361 1.929 1.00 0.00 C ATOM 609 O GLN A 36 -3.901 5.757 1.708 1.00 0.00 O ATOM 610 CB GLN A 36 -6.564 7.074 2.926 1.00 0.00 C ATOM 611 CG GLN A 36 -7.686 8.073 2.740 1.00 0.00 C ATOM 612 CD GLN A 36 -7.860 8.960 3.944 1.00 0.00 C ATOM 613 OE1 GLN A 36 -7.240 10.005 4.033 1.00 0.00 O ATOM 614 NE2 GLN A 36 -8.703 8.583 4.856 1.00 0.00 N ATOM 0 H GLN A 36 -8.146 5.432 1.912 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.991 6.965 0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.831 6.388 3.730 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.667 7.605 3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.482 8.688 1.864 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.617 7.540 2.545 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.207 7.702 4.752 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.862 9.168 5.677 1.00 0.00 H new ATOM 623 N GLU A 37 -5.323 4.149 2.374 1.00 0.00 N ATOM 624 CA GLU A 37 -4.298 3.165 2.646 1.00 0.00 C ATOM 625 C GLU A 37 -3.711 2.643 1.329 1.00 0.00 C ATOM 626 O GLU A 37 -2.498 2.540 1.188 1.00 0.00 O ATOM 627 CB GLU A 37 -4.871 2.032 3.514 1.00 0.00 C ATOM 628 CG GLU A 37 -3.879 0.942 3.860 1.00 0.00 C ATOM 629 CD GLU A 37 -4.440 -0.077 4.816 1.00 0.00 C ATOM 630 OE1 GLU A 37 -5.432 -0.749 4.489 1.00 0.00 O ATOM 631 OE2 GLU A 37 -3.868 -0.274 5.898 1.00 0.00 O ATOM 0 H GLU A 37 -6.271 3.821 2.557 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.486 3.627 3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.258 2.460 4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.716 1.584 2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.564 0.440 2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.989 1.393 4.299 1.00 0.00 H new ATOM 638 N LEU A 38 -4.589 2.363 0.366 1.00 0.00 N ATOM 639 CA LEU A 38 -4.208 1.950 -0.996 1.00 0.00 C ATOM 640 C LEU A 38 -3.238 2.978 -1.566 1.00 0.00 C ATOM 641 O LEU A 38 -2.133 2.645 -2.020 1.00 0.00 O ATOM 642 CB LEU A 38 -5.517 1.842 -1.865 1.00 0.00 C ATOM 643 CG LEU A 38 -5.430 1.474 -3.382 1.00 0.00 C ATOM 644 CD1 LEU A 38 -4.911 2.611 -4.258 1.00 0.00 C ATOM 645 CD2 LEU A 38 -4.601 0.230 -3.589 1.00 0.00 C ATOM 0 H LEU A 38 -5.598 2.415 0.506 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.712 0.980 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.159 1.101 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.031 2.801 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.455 1.282 -3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.878 2.284 -5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.575 3.471 -4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.909 2.892 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.556 -0.005 -4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.592 0.398 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.055 -0.603 -3.053 1.00 0.00 H new ATOM 657 N ASP A 39 -3.658 4.217 -1.486 1.00 0.00 N ATOM 658 CA ASP A 39 -2.894 5.363 -1.951 1.00 0.00 C ATOM 659 C ASP A 39 -1.555 5.481 -1.225 1.00 0.00 C ATOM 660 O ASP A 39 -0.509 5.717 -1.847 1.00 0.00 O ATOM 661 CB ASP A 39 -3.726 6.632 -1.734 1.00 0.00 C ATOM 662 CG ASP A 39 -2.982 7.906 -2.035 1.00 0.00 C ATOM 663 OD1 ASP A 39 -2.898 8.297 -3.210 1.00 0.00 O ATOM 664 OD2 ASP A 39 -2.498 8.556 -1.092 1.00 0.00 O ATOM 0 H ASP A 39 -4.562 4.469 -1.087 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.677 5.231 -3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.615 6.584 -2.363 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.068 6.658 -0.700 1.00 0.00 H new ATOM 669 N ARG A 40 -1.577 5.267 0.071 1.00 0.00 N ATOM 670 CA ARG A 40 -0.396 5.433 0.887 1.00 0.00 C ATOM 671 C ARG A 40 0.622 4.315 0.645 1.00 0.00 C ATOM 672 O ARG A 40 1.819 4.576 0.568 1.00 0.00 O ATOM 673 CB ARG A 40 -0.774 5.544 2.359 1.00 0.00 C ATOM 674 CG ARG A 40 0.366 5.976 3.250 1.00 0.00 C ATOM 675 CD ARG A 40 -0.114 6.246 4.653 1.00 0.00 C ATOM 676 NE ARG A 40 0.953 6.795 5.475 1.00 0.00 N ATOM 677 CZ ARG A 40 0.795 7.724 6.424 1.00 0.00 C ATOM 678 NH1 ARG A 40 -0.421 8.201 6.713 1.00 0.00 N ATOM 679 NH2 ARG A 40 1.860 8.168 7.091 1.00 0.00 N ATOM 0 H ARG A 40 -2.408 4.975 0.586 1.00 0.00 H new ATOM 0 HA ARG A 40 0.087 6.365 0.593 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.593 6.256 2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.146 4.579 2.703 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.132 5.201 3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.830 6.874 2.842 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.952 6.943 4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.482 5.322 5.099 1.00 0.00 H new ATOM 0 HE ARG A 40 1.897 6.443 5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.237 7.856 6.208 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.532 8.909 7.438 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.786 7.799 6.876 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.749 8.876 7.816 1.00 0.00 H new ATOM 693 N LEU A 41 0.146 3.085 0.489 1.00 0.00 N ATOM 694 CA LEU A 41 1.037 1.959 0.203 1.00 0.00 C ATOM 695 C LEU A 41 1.684 2.106 -1.159 1.00 0.00 C ATOM 696 O LEU A 41 2.831 1.721 -1.353 1.00 0.00 O ATOM 697 CB LEU A 41 0.333 0.595 0.339 1.00 0.00 C ATOM 698 CG LEU A 41 0.308 -0.048 1.746 1.00 0.00 C ATOM 699 CD1 LEU A 41 -0.347 0.845 2.783 1.00 0.00 C ATOM 700 CD2 LEU A 41 -0.378 -1.403 1.698 1.00 0.00 C ATOM 0 H LEU A 41 -0.842 2.840 0.554 1.00 0.00 H new ATOM 0 HA LEU A 41 1.822 1.982 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.697 0.711 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.815 -0.104 -0.344 1.00 0.00 H new ATOM 0 HG LEU A 41 1.345 -0.182 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.338 0.345 3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.202 1.784 2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.377 1.048 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.387 -1.842 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.402 -1.280 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.163 -2.061 1.017 1.00 0.00 H new ATOM 712 N LEU A 42 0.957 2.701 -2.085 1.00 0.00 N ATOM 713 CA LEU A 42 1.477 2.969 -3.416 1.00 0.00 C ATOM 714 C LEU A 42 2.597 4.024 -3.294 1.00 0.00 C ATOM 715 O LEU A 42 3.663 3.909 -3.916 1.00 0.00 O ATOM 716 CB LEU A 42 0.306 3.430 -4.331 1.00 0.00 C ATOM 717 CG LEU A 42 0.530 3.491 -5.865 1.00 0.00 C ATOM 718 CD1 LEU A 42 -0.809 3.641 -6.567 1.00 0.00 C ATOM 719 CD2 LEU A 42 1.423 4.656 -6.262 1.00 0.00 C ATOM 0 H LEU A 42 -0.004 3.011 -1.940 1.00 0.00 H new ATOM 0 HA LEU A 42 1.908 2.077 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.537 2.764 -4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.004 4.424 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 42 1.022 2.565 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.652 3.684 -7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.444 2.788 -6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.294 4.559 -6.234 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.554 4.662 -7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.961 5.592 -5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.395 4.551 -5.780 1.00 0.00 H new ATOM 731 N ASN A 43 2.371 5.005 -2.428 1.00 0.00 N ATOM 732 CA ASN A 43 3.354 6.059 -2.160 1.00 0.00 C ATOM 733 C ASN A 43 4.599 5.532 -1.470 1.00 0.00 C ATOM 734 O ASN A 43 5.665 6.131 -1.579 1.00 0.00 O ATOM 735 CB ASN A 43 2.757 7.229 -1.366 1.00 0.00 C ATOM 736 CG ASN A 43 2.065 8.258 -2.244 1.00 0.00 C ATOM 737 OD1 ASN A 43 2.689 9.218 -2.693 1.00 0.00 O ATOM 738 ND2 ASN A 43 0.800 8.080 -2.496 1.00 0.00 N ATOM 0 H ASN A 43 1.508 5.096 -1.892 1.00 0.00 H new ATOM 0 HA ASN A 43 3.651 6.436 -3.139 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.042 6.840 -0.641 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.550 7.718 -0.801 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.298 8.747 -3.081 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.311 7.273 -2.108 1.00 0.00 H new ATOM 745 N LEU A 44 4.476 4.403 -0.789 1.00 0.00 N ATOM 746 CA LEU A 44 5.614 3.784 -0.114 1.00 0.00 C ATOM 747 C LEU A 44 6.684 3.360 -1.118 1.00 0.00 C ATOM 748 O LEU A 44 7.888 3.530 -0.867 1.00 0.00 O ATOM 749 CB LEU A 44 5.178 2.591 0.748 1.00 0.00 C ATOM 750 CG LEU A 44 4.293 2.908 1.963 1.00 0.00 C ATOM 751 CD1 LEU A 44 3.917 1.630 2.694 1.00 0.00 C ATOM 752 CD2 LEU A 44 4.998 3.867 2.914 1.00 0.00 C ATOM 0 H LEU A 44 3.598 3.893 -0.687 1.00 0.00 H new ATOM 0 HA LEU A 44 6.045 4.534 0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.642 1.888 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.074 2.081 1.103 1.00 0.00 H new ATOM 0 HG LEU A 44 3.384 3.388 1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.290 1.873 3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.369 0.972 2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.821 1.127 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.351 4.076 3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.926 3.415 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.223 4.797 2.392 1.00 0.00 H new ATOM 764 N LEU A 45 6.249 2.843 -2.268 1.00 0.00 N ATOM 765 CA LEU A 45 7.183 2.453 -3.327 1.00 0.00 C ATOM 766 C LEU A 45 7.823 3.688 -3.925 1.00 0.00 C ATOM 767 O LEU A 45 9.034 3.718 -4.158 1.00 0.00 O ATOM 768 CB LEU A 45 6.519 1.613 -4.449 1.00 0.00 C ATOM 769 CG LEU A 45 6.146 0.149 -4.133 1.00 0.00 C ATOM 770 CD1 LEU A 45 5.060 0.056 -3.087 1.00 0.00 C ATOM 771 CD2 LEU A 45 5.724 -0.580 -5.398 1.00 0.00 C ATOM 0 H LEU A 45 5.266 2.685 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 45 7.938 1.819 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.611 2.129 -4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.192 1.609 -5.306 1.00 0.00 H new ATOM 0 HG LEU A 45 7.036 -0.331 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.828 -0.992 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.401 0.527 -2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.165 0.566 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.465 -1.610 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.858 -0.081 -5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.546 -0.572 -6.114 1.00 0.00 H new ATOM 783 N ILE A 46 7.002 4.719 -4.134 1.00 0.00 N ATOM 784 CA ILE A 46 7.464 5.995 -4.678 1.00 0.00 C ATOM 785 C ILE A 46 8.537 6.587 -3.760 1.00 0.00 C ATOM 786 O ILE A 46 9.584 7.070 -4.230 1.00 0.00 O ATOM 787 CB ILE A 46 6.288 7.006 -4.831 1.00 0.00 C ATOM 788 CG1 ILE A 46 5.209 6.430 -5.761 1.00 0.00 C ATOM 789 CG2 ILE A 46 6.788 8.357 -5.357 1.00 0.00 C ATOM 790 CD1 ILE A 46 3.994 7.324 -5.925 1.00 0.00 C ATOM 0 H ILE A 46 6.003 4.692 -3.932 1.00 0.00 H new ATOM 0 HA ILE A 46 7.883 5.811 -5.667 1.00 0.00 H new ATOM 0 HB ILE A 46 5.850 7.171 -3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.649 6.248 -6.742 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.887 5.464 -5.372 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.947 9.043 -5.454 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.516 8.772 -4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.257 8.217 -6.331 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.279 6.847 -6.596 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.528 7.486 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.301 8.282 -6.344 1.00 0.00 H new ATOM 802 N GLU A 47 8.282 6.512 -2.458 1.00 0.00 N ATOM 803 CA GLU A 47 9.208 6.992 -1.462 1.00 0.00 C ATOM 804 C GLU A 47 10.515 6.222 -1.545 1.00 0.00 C ATOM 805 O GLU A 47 11.573 6.814 -1.660 1.00 0.00 O ATOM 806 CB GLU A 47 8.636 6.842 -0.049 1.00 0.00 C ATOM 807 CG GLU A 47 9.591 7.353 1.016 1.00 0.00 C ATOM 808 CD GLU A 47 9.194 7.009 2.416 1.00 0.00 C ATOM 809 OE1 GLU A 47 8.292 7.655 2.973 1.00 0.00 O ATOM 810 OE2 GLU A 47 9.821 6.104 3.001 1.00 0.00 O ATOM 0 H GLU A 47 7.425 6.115 -2.073 1.00 0.00 H new ATOM 0 HA GLU A 47 9.383 8.049 -1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.694 7.386 0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.412 5.792 0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.584 6.947 0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.668 8.437 0.929 1.00 0.00 H new