USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 348 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 Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -161:sc= -0.0491 (180deg=-0.48) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -146:sc=-0.00359 (180deg=-0.966) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 130:sc= -0.552 USER MOD Single : A 26 CYS SG : rot 60:sc= -1.99 USER MOD Single : A 28 LYS NZ :NH3+ -140:sc= -4.03! (180deg=-6.38!) USER MOD Single : A 29 ASN : amide:sc= -0.0177 X(o=-0.018,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.012) USER MOD Single : A 35 ASN : amide:sc= -0.0492 K(o=-0.049,f=-0.91) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.906 X(o=-0.91,f=-0.64) USER MOD Single : A 41 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 30.662 -6.024 -11.554 1.00 0.00 N ATOM 2 CA GLN A 1 31.604 -4.917 -11.669 1.00 0.00 C ATOM 3 C GLN A 1 32.039 -4.398 -10.291 1.00 0.00 C ATOM 4 O GLN A 1 33.190 -4.047 -10.084 1.00 0.00 O ATOM 5 CB GLN A 1 31.013 -3.751 -12.476 1.00 0.00 C ATOM 6 CG GLN A 1 30.730 -4.121 -13.943 1.00 0.00 C ATOM 7 CD GLN A 1 29.288 -3.773 -14.332 1.00 0.00 C ATOM 8 OE1 GLN A 1 28.982 -2.694 -14.796 1.00 0.00 O ATOM 9 NE2 GLN A 1 28.431 -4.791 -14.094 1.00 0.00 N ATOM 0 H1 GLN A 1 30.636 -6.552 -12.450 1.00 0.00 H new ATOM 0 H2 GLN A 1 30.963 -6.658 -10.787 1.00 0.00 H new ATOM 0 H3 GLN A 1 29.714 -5.652 -11.344 1.00 0.00 H new ATOM 0 HA GLN A 1 32.474 -5.310 -12.194 1.00 0.00 H new ATOM 0 HB2 GLN A 1 30.087 -3.422 -12.004 1.00 0.00 H new ATOM 0 HB3 GLN A 1 31.703 -2.908 -12.446 1.00 0.00 H new ATOM 0 HG2 GLN A 1 31.424 -3.591 -14.595 1.00 0.00 H new ATOM 0 HG3 GLN A 1 30.903 -5.187 -14.092 1.00 0.00 H new ATOM 0 HE21 GLN A 1 28.776 -5.667 -13.701 1.00 0.00 H new ATOM 0 HE22 GLN A 1 27.439 -4.684 -14.308 1.00 0.00 H new ATOM 20 N GLU A 2 31.026 -4.378 -9.391 1.00 0.00 N ATOM 21 CA GLU A 2 31.149 -3.953 -7.996 1.00 0.00 C ATOM 22 C GLU A 2 31.031 -2.435 -7.828 1.00 0.00 C ATOM 23 O GLU A 2 30.994 -1.952 -6.706 1.00 0.00 O ATOM 24 CB GLU A 2 32.427 -4.490 -7.339 1.00 0.00 C ATOM 25 CG GLU A 2 32.266 -4.771 -5.832 1.00 0.00 C ATOM 26 CD GLU A 2 31.330 -5.972 -5.561 1.00 0.00 C ATOM 27 OE1 GLU A 2 31.585 -7.054 -6.082 1.00 0.00 O ATOM 28 OE2 GLU A 2 30.351 -5.813 -4.829 1.00 0.00 O ATOM 0 H GLU A 2 30.078 -4.667 -9.633 1.00 0.00 H new ATOM 0 HA GLU A 2 30.301 -4.395 -7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 2 32.728 -5.409 -7.843 1.00 0.00 H new ATOM 0 HB3 GLU A 2 33.232 -3.769 -7.483 1.00 0.00 H new ATOM 0 HG2 GLU A 2 33.244 -4.968 -5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 2 31.869 -3.884 -5.339 1.00 0.00 H new ATOM 35 N LYS A 3 30.963 -1.733 -8.986 1.00 0.00 N ATOM 36 CA LYS A 3 30.920 -0.271 -9.066 1.00 0.00 C ATOM 37 C LYS A 3 29.810 0.375 -8.220 1.00 0.00 C ATOM 38 O LYS A 3 29.867 1.552 -7.891 1.00 0.00 O ATOM 39 CB LYS A 3 30.882 0.159 -10.536 1.00 0.00 C ATOM 40 CG LYS A 3 29.634 -0.257 -11.329 1.00 0.00 C ATOM 41 CD LYS A 3 28.404 0.621 -11.059 1.00 0.00 C ATOM 42 CE LYS A 3 27.321 0.463 -12.128 1.00 0.00 C ATOM 43 NZ LYS A 3 25.993 0.766 -11.607 1.00 0.00 N ATOM 0 H LYS A 3 30.937 -2.185 -9.900 1.00 0.00 H new ATOM 0 HA LYS A 3 31.836 0.109 -8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 3 30.969 1.245 -10.578 1.00 0.00 H new ATOM 0 HB3 LYS A 3 31.759 -0.251 -11.036 1.00 0.00 H new ATOM 0 HG2 LYS A 3 29.865 -0.225 -12.394 1.00 0.00 H new ATOM 0 HG3 LYS A 3 29.390 -1.291 -11.087 1.00 0.00 H new ATOM 0 HD2 LYS A 3 27.987 0.366 -10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 3 28.712 1.666 -11.011 1.00 0.00 H new ATOM 0 HE2 LYS A 3 27.541 1.123 -12.967 1.00 0.00 H new ATOM 0 HE3 LYS A 3 27.336 -0.557 -12.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 25.288 0.647 -12.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 25.772 0.120 -10.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 25.970 1.748 -11.264 1.00 0.00 H new ATOM 57 N GLU A 4 28.820 -0.472 -7.889 1.00 0.00 N ATOM 58 CA GLU A 4 27.674 -0.062 -7.094 1.00 0.00 C ATOM 59 C GLU A 4 28.122 0.264 -5.663 1.00 0.00 C ATOM 60 O GLU A 4 27.823 1.312 -5.115 1.00 0.00 O ATOM 61 CB GLU A 4 26.670 -1.224 -7.116 1.00 0.00 C ATOM 62 CG GLU A 4 25.210 -0.766 -7.188 1.00 0.00 C ATOM 63 CD GLU A 4 24.639 -0.309 -5.831 1.00 0.00 C ATOM 64 OE1 GLU A 4 25.210 0.588 -5.216 1.00 0.00 O ATOM 65 OE2 GLU A 4 23.621 -0.848 -5.405 1.00 0.00 O ATOM 0 H GLU A 4 28.801 -1.453 -8.169 1.00 0.00 H new ATOM 0 HA GLU A 4 27.210 0.837 -7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 4 26.885 -1.864 -7.972 1.00 0.00 H new ATOM 0 HB3 GLU A 4 26.809 -1.831 -6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 4 25.130 0.054 -7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 4 24.600 -1.583 -7.573 1.00 0.00 H new ATOM 72 N ALA A 5 28.886 -0.703 -5.113 1.00 0.00 N ATOM 73 CA ALA A 5 29.441 -0.464 -3.794 1.00 0.00 C ATOM 74 C ALA A 5 30.529 0.608 -3.846 1.00 0.00 C ATOM 75 O ALA A 5 30.840 1.175 -2.805 1.00 0.00 O ATOM 76 CB ALA A 5 29.983 -1.752 -3.179 1.00 0.00 C ATOM 0 H ALA A 5 29.115 -1.600 -5.542 1.00 0.00 H new ATOM 0 HA ALA A 5 28.634 -0.102 -3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 5 30.392 -1.540 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 5 29.177 -2.480 -3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 5 30.768 -2.158 -3.817 1.00 0.00 H new ATOM 82 N ILE A 6 31.095 0.894 -5.035 1.00 0.00 N ATOM 83 CA ILE A 6 32.210 1.848 -5.077 1.00 0.00 C ATOM 84 C ILE A 6 31.732 3.265 -4.765 1.00 0.00 C ATOM 85 O ILE A 6 32.348 3.946 -3.953 1.00 0.00 O ATOM 86 CB ILE A 6 33.055 1.770 -6.356 1.00 0.00 C ATOM 87 CG1 ILE A 6 33.441 0.322 -6.652 1.00 0.00 C ATOM 88 CG2 ILE A 6 34.337 2.622 -6.258 1.00 0.00 C ATOM 89 CD1 ILE A 6 34.235 0.178 -7.956 1.00 0.00 C ATOM 0 H ILE A 6 30.815 0.500 -5.933 1.00 0.00 H new ATOM 0 HA ILE A 6 32.898 1.549 -4.286 1.00 0.00 H new ATOM 0 HB ILE A 6 32.441 2.167 -7.165 1.00 0.00 H new ATOM 0 HG12 ILE A 6 34.034 -0.068 -5.825 1.00 0.00 H new ATOM 0 HG13 ILE A 6 32.538 -0.286 -6.712 1.00 0.00 H new ATOM 0 HG21 ILE A 6 34.903 2.536 -7.186 1.00 0.00 H new ATOM 0 HG22 ILE A 6 34.069 3.665 -6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 6 34.947 2.268 -5.427 1.00 0.00 H new ATOM 0 HD11 ILE A 6 34.483 -0.871 -8.117 1.00 0.00 H new ATOM 0 HD12 ILE A 6 33.634 0.541 -8.790 1.00 0.00 H new ATOM 0 HD13 ILE A 6 35.153 0.762 -7.889 1.00 0.00 H new ATOM 101 N GLU A 7 30.614 3.674 -5.382 1.00 0.00 N ATOM 102 CA GLU A 7 30.074 4.999 -5.074 1.00 0.00 C ATOM 103 C GLU A 7 29.551 5.098 -3.622 1.00 0.00 C ATOM 104 O GLU A 7 29.394 6.184 -3.091 1.00 0.00 O ATOM 105 CB GLU A 7 28.977 5.373 -6.084 1.00 0.00 C ATOM 106 CG GLU A 7 27.738 4.463 -6.014 1.00 0.00 C ATOM 107 CD GLU A 7 26.603 4.865 -6.978 1.00 0.00 C ATOM 108 OE1 GLU A 7 26.777 5.796 -7.764 1.00 0.00 O ATOM 109 OE2 GLU A 7 25.547 4.234 -6.927 1.00 0.00 O ATOM 0 H GLU A 7 30.088 3.132 -6.067 1.00 0.00 H new ATOM 0 HA GLU A 7 30.891 5.715 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.670 6.404 -5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.392 5.330 -7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.040 3.439 -6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.353 4.470 -4.994 1.00 0.00 H new ATOM 116 N ARG A 8 29.301 3.907 -3.030 1.00 0.00 N ATOM 117 CA ARG A 8 28.763 3.819 -1.680 1.00 0.00 C ATOM 118 C ARG A 8 29.883 4.011 -0.648 1.00 0.00 C ATOM 119 O ARG A 8 29.828 4.922 0.160 1.00 0.00 O ATOM 120 CB ARG A 8 28.039 2.470 -1.536 1.00 0.00 C ATOM 121 CG ARG A 8 26.691 2.579 -0.806 1.00 0.00 C ATOM 122 CD ARG A 8 25.601 1.712 -1.443 1.00 0.00 C ATOM 123 NE ARG A 8 24.994 2.427 -2.564 1.00 0.00 N ATOM 124 CZ ARG A 8 23.764 2.123 -3.045 1.00 0.00 C ATOM 125 NH1 ARG A 8 23.070 1.106 -2.543 1.00 0.00 N ATOM 126 NH2 ARG A 8 23.249 2.851 -4.031 1.00 0.00 N ATOM 0 H ARG A 8 29.467 3.005 -3.476 1.00 0.00 H new ATOM 0 HA ARG A 8 28.041 4.614 -1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 8 27.875 2.046 -2.527 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.682 1.776 -0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 8 26.822 2.284 0.235 1.00 0.00 H new ATOM 0 HG3 ARG A 8 26.367 3.620 -0.804 1.00 0.00 H new ATOM 0 HD2 ARG A 8 26.028 0.770 -1.788 1.00 0.00 H new ATOM 0 HD3 ARG A 8 24.840 1.465 -0.702 1.00 0.00 H new ATOM 0 HE ARG A 8 25.517 3.185 -3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 8 23.462 0.545 -1.787 1.00 0.00 H new ATOM 0 HH12 ARG A 8 22.145 0.887 -2.914 1.00 0.00 H new ATOM 0 HH21 ARG A 8 23.779 3.631 -4.419 1.00 0.00 H new ATOM 0 HH22 ARG A 8 22.324 2.629 -4.399 1.00 0.00 H new ATOM 140 N LEU A 9 30.893 3.118 -0.776 1.00 0.00 N ATOM 141 CA LEU A 9 32.165 3.109 -0.052 1.00 0.00 C ATOM 142 C LEU A 9 32.781 4.535 -0.077 1.00 0.00 C ATOM 143 O LEU A 9 33.108 5.101 0.957 1.00 0.00 O ATOM 144 CB LEU A 9 33.083 2.027 -0.648 1.00 0.00 C ATOM 145 CG LEU A 9 32.518 0.591 -0.585 1.00 0.00 C ATOM 146 CD1 LEU A 9 33.057 -0.222 -1.767 1.00 0.00 C ATOM 147 CD2 LEU A 9 32.783 -0.118 0.745 1.00 0.00 C ATOM 0 H LEU A 9 30.827 2.340 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 9 32.020 2.851 0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.287 2.277 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.037 2.050 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 9 31.433 0.669 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 9 32.659 -1.236 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 9 32.751 0.248 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 9 34.145 -0.257 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 9 32.357 -1.121 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 9 33.858 -0.185 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 9 32.323 0.447 1.556 1.00 0.00 H new ATOM 159 N LYS A 10 32.858 5.107 -1.293 1.00 0.00 N ATOM 160 CA LYS A 10 33.371 6.475 -1.483 1.00 0.00 C ATOM 161 C LYS A 10 32.492 7.538 -0.793 1.00 0.00 C ATOM 162 O LYS A 10 32.988 8.525 -0.276 1.00 0.00 O ATOM 163 CB LYS A 10 33.405 6.802 -2.979 1.00 0.00 C ATOM 164 CG LYS A 10 34.406 5.952 -3.746 1.00 0.00 C ATOM 165 CD LYS A 10 34.156 5.994 -5.255 1.00 0.00 C ATOM 166 CE LYS A 10 34.662 7.274 -5.926 1.00 0.00 C ATOM 167 NZ LYS A 10 33.723 8.378 -5.789 1.00 0.00 N ATOM 0 H LYS A 10 32.572 4.644 -2.156 1.00 0.00 H new ATOM 0 HA LYS A 10 34.366 6.504 -1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 10 32.411 6.654 -3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 10 33.654 7.855 -3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 10 35.416 6.303 -3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 10 34.348 4.921 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 10 34.641 5.135 -5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 10 33.086 5.895 -5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 10 35.619 7.557 -5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 10 34.841 7.081 -6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 33.761 8.974 -6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 32.760 8.002 -5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 33.976 8.948 -4.957 1.00 0.00 H new ATOM 181 N ALA A 11 31.166 7.274 -0.835 1.00 0.00 N ATOM 182 CA ALA A 11 30.192 8.205 -0.262 1.00 0.00 C ATOM 183 C ALA A 11 30.300 8.310 1.273 1.00 0.00 C ATOM 184 O ALA A 11 29.848 9.288 1.851 1.00 0.00 O ATOM 185 CB ALA A 11 28.762 7.814 -0.655 1.00 0.00 C ATOM 0 H ALA A 11 30.760 6.437 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 11 30.427 9.185 -0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 11 28.058 8.521 -0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 11 28.665 7.831 -1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 11 28.545 6.811 -0.287 1.00 0.00 H new ATOM 191 N LEU A 12 30.932 7.286 1.893 1.00 0.00 N ATOM 192 CA LEU A 12 31.176 7.327 3.333 1.00 0.00 C ATOM 193 C LEU A 12 32.379 8.256 3.688 1.00 0.00 C ATOM 194 O LEU A 12 32.762 8.339 4.846 1.00 0.00 O ATOM 195 CB LEU A 12 31.450 5.902 3.849 1.00 0.00 C ATOM 196 CG LEU A 12 30.266 4.901 3.878 1.00 0.00 C ATOM 197 CD1 LEU A 12 30.376 3.876 2.749 1.00 0.00 C ATOM 198 CD2 LEU A 12 30.238 4.123 5.196 1.00 0.00 C ATOM 0 H LEU A 12 31.270 6.446 1.423 1.00 0.00 H new ATOM 0 HA LEU A 12 30.287 7.734 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 12 32.239 5.469 3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 12 31.844 5.983 4.862 1.00 0.00 H new ATOM 0 HG LEU A 12 29.358 5.493 3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 12 29.531 3.189 2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 12 30.370 4.391 1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 12 31.305 3.316 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 12 29.398 3.428 5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 12 31.169 3.567 5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 12 30.127 4.819 6.027 1.00 0.00 H new ATOM 210 N GLY A 13 32.936 8.944 2.657 1.00 0.00 N ATOM 211 CA GLY A 13 34.017 9.917 2.842 1.00 0.00 C ATOM 212 C GLY A 13 35.396 9.355 2.455 1.00 0.00 C ATOM 213 O GLY A 13 36.419 9.833 2.927 1.00 0.00 O ATOM 0 H GLY A 13 32.643 8.833 1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.809 10.803 2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 13 34.039 10.236 3.884 1.00 0.00 H new ATOM 217 N PHE A 14 35.352 8.305 1.595 1.00 0.00 N ATOM 218 CA PHE A 14 36.555 7.558 1.221 1.00 0.00 C ATOM 219 C PHE A 14 36.940 7.931 -0.232 1.00 0.00 C ATOM 220 O PHE A 14 36.762 9.075 -0.642 1.00 0.00 O ATOM 221 CB PHE A 14 36.299 6.045 1.433 1.00 0.00 C ATOM 222 CG PHE A 14 35.732 5.701 2.797 1.00 0.00 C ATOM 223 CD1 PHE A 14 35.935 6.511 3.916 1.00 0.00 C ATOM 224 CD2 PHE A 14 34.928 4.571 2.932 1.00 0.00 C ATOM 225 CE1 PHE A 14 35.255 6.262 5.099 1.00 0.00 C ATOM 226 CE2 PHE A 14 34.249 4.321 4.113 1.00 0.00 C ATOM 227 CZ PHE A 14 34.389 5.192 5.188 1.00 0.00 C ATOM 0 H PHE A 14 34.496 7.967 1.156 1.00 0.00 H new ATOM 0 HA PHE A 14 37.406 7.818 1.850 1.00 0.00 H new ATOM 0 HB2 PHE A 14 35.610 5.692 0.665 1.00 0.00 H new ATOM 0 HB3 PHE A 14 37.236 5.505 1.294 1.00 0.00 H new ATOM 0 HD1 PHE A 14 36.627 7.338 3.860 1.00 0.00 H new ATOM 0 HD2 PHE A 14 34.833 3.882 2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 14 35.404 6.907 5.952 1.00 0.00 H new ATOM 0 HE2 PHE A 14 33.613 3.452 4.199 1.00 0.00 H new ATOM 0 HZ PHE A 14 33.820 5.031 6.092 1.00 0.00 H new ATOM 237 N GLU A 15 37.475 6.935 -0.974 1.00 0.00 N ATOM 238 CA GLU A 15 37.975 7.151 -2.336 1.00 0.00 C ATOM 239 C GLU A 15 38.094 5.793 -3.032 1.00 0.00 C ATOM 240 O GLU A 15 38.504 4.817 -2.413 1.00 0.00 O ATOM 241 CB GLU A 15 39.361 7.826 -2.309 1.00 0.00 C ATOM 242 CG GLU A 15 39.675 8.595 -3.599 1.00 0.00 C ATOM 243 CD GLU A 15 38.891 9.919 -3.654 1.00 0.00 C ATOM 244 OE1 GLU A 15 39.179 10.802 -2.847 1.00 0.00 O ATOM 245 OE2 GLU A 15 38.006 10.052 -4.499 1.00 0.00 O ATOM 0 H GLU A 15 37.568 5.974 -0.645 1.00 0.00 H new ATOM 0 HA GLU A 15 37.283 7.801 -2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 15 39.410 8.511 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 15 40.126 7.067 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 15 40.744 8.798 -3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 15 39.422 7.982 -4.464 1.00 0.00 H new ATOM 252 N GLU A 16 37.731 5.796 -4.332 1.00 0.00 N ATOM 253 CA GLU A 16 37.659 4.614 -5.196 1.00 0.00 C ATOM 254 C GLU A 16 38.889 3.666 -5.098 1.00 0.00 C ATOM 255 O GLU A 16 38.777 2.476 -5.360 1.00 0.00 O ATOM 256 CB GLU A 16 37.415 5.063 -6.645 1.00 0.00 C ATOM 257 CG GLU A 16 37.549 3.944 -7.702 1.00 0.00 C ATOM 258 CD GLU A 16 36.631 4.173 -8.917 1.00 0.00 C ATOM 259 OE1 GLU A 16 36.598 5.293 -9.424 1.00 0.00 O ATOM 260 OE2 GLU A 16 35.956 3.233 -9.339 1.00 0.00 O ATOM 0 H GLU A 16 37.472 6.654 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 16 36.823 4.013 -4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.415 5.491 -6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.120 5.859 -6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.584 3.887 -8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.309 2.984 -7.244 1.00 0.00 H new ATOM 267 N SER A 17 40.048 4.231 -4.714 1.00 0.00 N ATOM 268 CA SER A 17 41.252 3.421 -4.590 1.00 0.00 C ATOM 269 C SER A 17 41.259 2.653 -3.262 1.00 0.00 C ATOM 270 O SER A 17 41.446 1.450 -3.253 1.00 0.00 O ATOM 271 CB SER A 17 42.477 4.336 -4.678 1.00 0.00 C ATOM 272 OG SER A 17 42.930 4.383 -6.022 1.00 0.00 O ATOM 0 H SER A 17 40.167 5.219 -4.492 1.00 0.00 H new ATOM 0 HA SER A 17 41.277 2.691 -5.399 1.00 0.00 H new ATOM 0 HB2 SER A 17 42.223 5.338 -4.332 1.00 0.00 H new ATOM 0 HB3 SER A 17 43.269 3.966 -4.027 1.00 0.00 H new ATOM 0 HG SER A 17 43.713 4.969 -6.083 1.00 0.00 H new ATOM 278 N LEU A 18 41.043 3.405 -2.153 1.00 0.00 N ATOM 279 CA LEU A 18 41.008 2.738 -0.844 1.00 0.00 C ATOM 280 C LEU A 18 39.791 1.830 -0.730 1.00 0.00 C ATOM 281 O LEU A 18 39.765 0.944 0.130 1.00 0.00 O ATOM 282 CB LEU A 18 41.137 3.735 0.326 1.00 0.00 C ATOM 283 CG LEU A 18 39.865 4.412 0.893 1.00 0.00 C ATOM 284 CD1 LEU A 18 39.617 4.059 2.369 1.00 0.00 C ATOM 285 CD2 LEU A 18 39.958 5.934 0.767 1.00 0.00 C ATOM 0 H LEU A 18 40.899 4.415 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 18 41.887 2.098 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.623 3.212 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.814 4.527 0.007 1.00 0.00 H new ATOM 0 HG LEU A 18 39.031 4.033 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 18 38.713 4.560 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 18 39.496 2.980 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 18 40.466 4.386 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 18 39.054 6.389 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.824 6.293 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.062 6.206 -0.283 1.00 0.00 H new ATOM 297 N VAL A 19 38.826 2.084 -1.617 1.00 0.00 N ATOM 298 CA VAL A 19 37.533 1.425 -1.711 1.00 0.00 C ATOM 299 C VAL A 19 37.672 0.071 -2.403 1.00 0.00 C ATOM 300 O VAL A 19 37.318 -0.953 -1.848 1.00 0.00 O ATOM 301 CB VAL A 19 36.631 2.387 -2.495 1.00 0.00 C ATOM 302 CG1 VAL A 19 35.501 1.699 -3.257 1.00 0.00 C ATOM 303 CG2 VAL A 19 36.132 3.551 -1.619 1.00 0.00 C ATOM 0 H VAL A 19 38.940 2.803 -2.332 1.00 0.00 H new ATOM 0 HA VAL A 19 37.106 1.214 -0.731 1.00 0.00 H new ATOM 0 HB VAL A 19 37.266 2.816 -3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 19 34.910 2.447 -3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 19 35.922 0.996 -3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 19 34.863 1.162 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 19 35.497 4.208 -2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 19 35.560 3.155 -0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 19 36.985 4.115 -1.243 1.00 0.00 H new ATOM 313 N ILE A 20 38.190 0.149 -3.644 1.00 0.00 N ATOM 314 CA ILE A 20 38.381 -1.039 -4.468 1.00 0.00 C ATOM 315 C ILE A 20 39.321 -2.017 -3.784 1.00 0.00 C ATOM 316 O ILE A 20 39.024 -3.196 -3.686 1.00 0.00 O ATOM 317 CB ILE A 20 38.910 -0.633 -5.857 1.00 0.00 C ATOM 318 CG1 ILE A 20 37.757 -0.164 -6.747 1.00 0.00 C ATOM 319 CG2 ILE A 20 39.719 -1.726 -6.580 1.00 0.00 C ATOM 320 CD1 ILE A 20 36.779 -1.298 -7.087 1.00 0.00 C ATOM 0 H ILE A 20 38.479 1.021 -4.087 1.00 0.00 H new ATOM 0 HA ILE A 20 37.422 -1.540 -4.599 1.00 0.00 H new ATOM 0 HB ILE A 20 39.609 0.183 -5.674 1.00 0.00 H new ATOM 0 HG12 ILE A 20 37.217 0.639 -6.244 1.00 0.00 H new ATOM 0 HG13 ILE A 20 38.161 0.253 -7.670 1.00 0.00 H new ATOM 0 HG21 ILE A 20 40.051 -1.352 -7.549 1.00 0.00 H new ATOM 0 HG22 ILE A 20 40.587 -1.994 -5.978 1.00 0.00 H new ATOM 0 HG23 ILE A 20 39.092 -2.606 -6.726 1.00 0.00 H new ATOM 0 HD11 ILE A 20 35.980 -0.912 -7.720 1.00 0.00 H new ATOM 0 HD12 ILE A 20 37.310 -2.090 -7.615 1.00 0.00 H new ATOM 0 HD13 ILE A 20 36.352 -1.698 -6.167 1.00 0.00 H new ATOM 332 N GLN A 21 40.449 -1.449 -3.324 1.00 0.00 N ATOM 333 CA GLN A 21 41.458 -2.250 -2.647 1.00 0.00 C ATOM 334 C GLN A 21 40.953 -2.776 -1.285 1.00 0.00 C ATOM 335 O GLN A 21 41.423 -3.800 -0.814 1.00 0.00 O ATOM 336 CB GLN A 21 42.731 -1.417 -2.458 1.00 0.00 C ATOM 337 CG GLN A 21 43.998 -2.289 -2.430 1.00 0.00 C ATOM 338 CD GLN A 21 44.581 -2.437 -3.844 1.00 0.00 C ATOM 339 OE1 GLN A 21 44.422 -3.431 -4.523 1.00 0.00 O ATOM 340 NE2 GLN A 21 45.272 -1.337 -4.218 1.00 0.00 N ATOM 0 H GLN A 21 40.674 -0.458 -3.410 1.00 0.00 H new ATOM 0 HA GLN A 21 41.677 -3.118 -3.269 1.00 0.00 H new ATOM 0 HB2 GLN A 21 42.810 -0.690 -3.266 1.00 0.00 H new ATOM 0 HB3 GLN A 21 42.659 -0.853 -1.528 1.00 0.00 H new ATOM 0 HG2 GLN A 21 44.740 -1.841 -1.769 1.00 0.00 H new ATOM 0 HG3 GLN A 21 43.761 -3.272 -2.023 1.00 0.00 H new ATOM 0 HE21 GLN A 21 45.354 -0.545 -3.580 1.00 0.00 H new ATOM 0 HE22 GLN A 21 45.711 -1.299 -5.138 1.00 0.00 H new ATOM 349 N ALA A 22 39.981 -2.036 -0.699 1.00 0.00 N ATOM 350 CA ALA A 22 39.344 -2.453 0.555 1.00 0.00 C ATOM 351 C ALA A 22 38.225 -3.468 0.332 1.00 0.00 C ATOM 352 O ALA A 22 37.823 -4.137 1.270 1.00 0.00 O ATOM 353 CB ALA A 22 38.652 -1.278 1.247 1.00 0.00 C ATOM 0 H ALA A 22 39.630 -1.156 -1.077 1.00 0.00 H new ATOM 0 HA ALA A 22 40.156 -2.873 1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 22 38.190 -1.622 2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 22 39.386 -0.505 1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 22 37.885 -0.869 0.589 1.00 0.00 H new ATOM 359 N TYR A 23 37.727 -3.516 -0.918 1.00 0.00 N ATOM 360 CA TYR A 23 36.643 -4.434 -1.257 1.00 0.00 C ATOM 361 C TYR A 23 37.239 -5.707 -1.870 1.00 0.00 C ATOM 362 O TYR A 23 36.603 -6.745 -1.845 1.00 0.00 O ATOM 363 CB TYR A 23 35.648 -3.751 -2.219 1.00 0.00 C ATOM 364 CG TYR A 23 34.195 -4.007 -1.892 1.00 0.00 C ATOM 365 CD1 TYR A 23 33.520 -3.146 -1.045 1.00 0.00 C ATOM 366 CD2 TYR A 23 33.482 -5.066 -2.441 1.00 0.00 C ATOM 367 CE1 TYR A 23 32.162 -3.288 -0.807 1.00 0.00 C ATOM 368 CE2 TYR A 23 32.122 -5.216 -2.220 1.00 0.00 C ATOM 369 CZ TYR A 23 31.459 -4.299 -1.420 1.00 0.00 C ATOM 370 OH TYR A 23 30.096 -4.351 -1.208 1.00 0.00 O ATOM 0 H TYR A 23 38.056 -2.938 -1.691 1.00 0.00 H new ATOM 0 HA TYR A 23 36.090 -4.708 -0.358 1.00 0.00 H new ATOM 0 HB2 TYR A 23 35.828 -2.676 -2.206 1.00 0.00 H new ATOM 0 HB3 TYR A 23 35.847 -4.096 -3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 23 34.062 -2.348 -0.560 1.00 0.00 H new ATOM 0 HD2 TYR A 23 34.000 -5.789 -3.054 1.00 0.00 H new ATOM 0 HE1 TYR A 23 31.656 -2.605 -0.141 1.00 0.00 H new ATOM 0 HE2 TYR A 23 31.584 -6.039 -2.667 1.00 0.00 H new ATOM 0 HH TYR A 23 29.634 -4.429 -2.069 1.00 0.00 H new ATOM 380 N PHE A 24 38.470 -5.593 -2.412 1.00 0.00 N ATOM 381 CA PHE A 24 39.130 -6.719 -3.075 1.00 0.00 C ATOM 382 C PHE A 24 40.038 -7.446 -2.071 1.00 0.00 C ATOM 383 O PHE A 24 40.159 -8.657 -2.108 1.00 0.00 O ATOM 384 CB PHE A 24 39.980 -6.229 -4.274 1.00 0.00 C ATOM 385 CG PHE A 24 39.441 -6.601 -5.635 1.00 0.00 C ATOM 386 CD1 PHE A 24 39.048 -7.906 -5.929 1.00 0.00 C ATOM 387 CD2 PHE A 24 39.344 -5.640 -6.631 1.00 0.00 C ATOM 388 CE1 PHE A 24 38.571 -8.229 -7.193 1.00 0.00 C ATOM 389 CE2 PHE A 24 38.862 -5.953 -7.895 1.00 0.00 C ATOM 390 CZ PHE A 24 38.475 -7.254 -8.177 1.00 0.00 C ATOM 0 H PHE A 24 39.018 -4.733 -2.400 1.00 0.00 H new ATOM 0 HA PHE A 24 38.364 -7.400 -3.445 1.00 0.00 H new ATOM 0 HB2 PHE A 24 40.067 -5.144 -4.219 1.00 0.00 H new ATOM 0 HB3 PHE A 24 40.987 -6.635 -4.176 1.00 0.00 H new ATOM 0 HD1 PHE A 24 39.115 -8.671 -5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 24 39.650 -4.626 -6.419 1.00 0.00 H new ATOM 0 HE1 PHE A 24 38.273 -9.244 -7.412 1.00 0.00 H new ATOM 0 HE2 PHE A 24 38.789 -5.188 -8.654 1.00 0.00 H new ATOM 0 HZ PHE A 24 38.101 -7.508 -9.158 1.00 0.00 H new ATOM 400 N ALA A 25 40.658 -6.632 -1.181 1.00 0.00 N ATOM 401 CA ALA A 25 41.502 -7.193 -0.125 1.00 0.00 C ATOM 402 C ALA A 25 40.649 -7.928 0.924 1.00 0.00 C ATOM 403 O ALA A 25 41.113 -8.855 1.570 1.00 0.00 O ATOM 404 CB ALA A 25 42.331 -6.095 0.553 1.00 0.00 C ATOM 0 H ALA A 25 40.586 -5.615 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 25 42.182 -7.908 -0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 25 42.950 -6.536 1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 25 42.970 -5.612 -0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 25 41.663 -5.355 0.994 1.00 0.00 H new ATOM 410 N CYS A 26 39.380 -7.472 1.027 1.00 0.00 N ATOM 411 CA CYS A 26 38.416 -8.126 1.911 1.00 0.00 C ATOM 412 C CYS A 26 37.728 -9.336 1.248 1.00 0.00 C ATOM 413 O CYS A 26 36.816 -9.903 1.834 1.00 0.00 O ATOM 414 CB CYS A 26 37.355 -7.107 2.343 1.00 0.00 C ATOM 415 SG CYS A 26 37.768 -6.423 3.971 1.00 0.00 S ATOM 0 H CYS A 26 39.014 -6.669 0.516 1.00 0.00 H new ATOM 0 HA CYS A 26 38.965 -8.501 2.774 1.00 0.00 H new ATOM 0 HB2 CYS A 26 37.292 -6.304 1.609 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.376 -7.584 2.379 1.00 0.00 H new ATOM 0 HG CYS A 26 38.926 -5.835 3.913 1.00 0.00 H new ATOM 421 N GLU A 27 38.174 -9.692 0.018 1.00 0.00 N ATOM 422 CA GLU A 27 37.531 -10.760 -0.755 1.00 0.00 C ATOM 423 C GLU A 27 36.020 -10.481 -0.962 1.00 0.00 C ATOM 424 O GLU A 27 35.162 -11.246 -0.554 1.00 0.00 O ATOM 425 CB GLU A 27 37.846 -12.137 -0.130 1.00 0.00 C ATOM 426 CG GLU A 27 37.037 -13.314 -0.716 1.00 0.00 C ATOM 427 CD GLU A 27 37.858 -14.600 -0.900 1.00 0.00 C ATOM 428 OE1 GLU A 27 38.492 -15.044 0.057 1.00 0.00 O ATOM 429 OE2 GLU A 27 37.848 -15.148 -2.003 1.00 0.00 O ATOM 0 H GLU A 27 38.969 -9.255 -0.448 1.00 0.00 H new ATOM 0 HA GLU A 27 37.950 -10.781 -1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.908 -12.345 -0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 27 37.660 -12.085 0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 27 36.192 -13.524 -0.060 1.00 0.00 H new ATOM 0 HG3 GLU A 27 36.626 -13.016 -1.680 1.00 0.00 H new ATOM 436 N LYS A 28 35.797 -9.321 -1.630 1.00 0.00 N ATOM 437 CA LYS A 28 34.517 -8.791 -2.109 1.00 0.00 C ATOM 438 C LYS A 28 33.304 -9.271 -1.268 1.00 0.00 C ATOM 439 O LYS A 28 32.361 -9.858 -1.779 1.00 0.00 O ATOM 440 CB LYS A 28 34.403 -9.129 -3.611 1.00 0.00 C ATOM 441 CG LYS A 28 35.627 -8.763 -4.488 1.00 0.00 C ATOM 442 CD LYS A 28 35.726 -7.281 -4.906 1.00 0.00 C ATOM 443 CE LYS A 28 35.683 -7.050 -6.419 1.00 0.00 C ATOM 444 NZ LYS A 28 34.375 -6.633 -6.851 1.00 0.00 N ATOM 0 H LYS A 28 36.569 -8.695 -1.859 1.00 0.00 H new ATOM 0 HA LYS A 28 34.495 -7.709 -1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 28 34.219 -10.199 -3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 28 33.528 -8.617 -4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 28 36.534 -9.031 -3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 28 35.602 -9.376 -5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 28 34.908 -6.729 -4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 28 36.654 -6.866 -4.513 1.00 0.00 H new ATOM 0 HE2 LYS A 28 36.417 -6.292 -6.694 1.00 0.00 H new ATOM 0 HE3 LYS A 28 35.963 -7.968 -6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 34.142 -7.099 -7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 33.671 -6.897 -6.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 34.365 -5.601 -6.982 1.00 0.00 H new ATOM 458 N ASN A 29 33.428 -9.009 0.061 1.00 0.00 N ATOM 459 CA ASN A 29 32.525 -9.595 1.058 1.00 0.00 C ATOM 460 C ASN A 29 31.415 -8.619 1.462 1.00 0.00 C ATOM 461 O ASN A 29 30.329 -9.033 1.846 1.00 0.00 O ATOM 462 CB ASN A 29 33.325 -10.033 2.305 1.00 0.00 C ATOM 463 CG ASN A 29 33.104 -11.526 2.605 1.00 0.00 C ATOM 464 OD1 ASN A 29 32.007 -11.975 2.874 1.00 0.00 O ATOM 465 ND2 ASN A 29 34.235 -12.264 2.523 1.00 0.00 N ATOM 0 H ASN A 29 34.144 -8.398 0.453 1.00 0.00 H new ATOM 0 HA ASN A 29 32.052 -10.466 0.605 1.00 0.00 H new ATOM 0 HB2 ASN A 29 34.387 -9.844 2.146 1.00 0.00 H new ATOM 0 HB3 ASN A 29 33.020 -9.437 3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 29 34.201 -13.269 2.692 1.00 0.00 H new ATOM 0 HD22 ASN A 29 35.121 -11.815 2.292 1.00 0.00 H new ATOM 472 N GLU A 30 31.766 -7.321 1.329 1.00 0.00 N ATOM 473 CA GLU A 30 30.861 -6.185 1.476 1.00 0.00 C ATOM 474 C GLU A 30 30.839 -5.667 2.918 1.00 0.00 C ATOM 475 O GLU A 30 31.262 -4.558 3.203 1.00 0.00 O ATOM 476 CB GLU A 30 29.439 -6.407 0.914 1.00 0.00 C ATOM 477 CG GLU A 30 29.389 -7.130 -0.452 1.00 0.00 C ATOM 478 CD GLU A 30 28.242 -6.626 -1.352 1.00 0.00 C ATOM 479 OE1 GLU A 30 27.186 -6.270 -0.828 1.00 0.00 O ATOM 480 OE2 GLU A 30 28.421 -6.588 -2.569 1.00 0.00 O ATOM 0 H GLU A 30 32.721 -7.038 1.109 1.00 0.00 H new ATOM 0 HA GLU A 30 31.281 -5.406 0.840 1.00 0.00 H new ATOM 0 HB2 GLU A 30 28.864 -6.985 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 30 28.947 -5.439 0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 30 30.339 -6.989 -0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 30 29.272 -8.201 -0.287 1.00 0.00 H new ATOM 487 N ASN A 31 30.326 -6.547 3.800 1.00 0.00 N ATOM 488 CA ASN A 31 30.258 -6.262 5.230 1.00 0.00 C ATOM 489 C ASN A 31 31.665 -6.160 5.842 1.00 0.00 C ATOM 490 O ASN A 31 31.852 -5.534 6.876 1.00 0.00 O ATOM 491 CB ASN A 31 29.461 -7.396 5.915 1.00 0.00 C ATOM 492 CG ASN A 31 28.170 -6.862 6.555 1.00 0.00 C ATOM 493 OD1 ASN A 31 27.356 -6.220 5.921 1.00 0.00 O ATOM 494 ND2 ASN A 31 28.053 -7.177 7.863 1.00 0.00 N ATOM 0 H ASN A 31 29.954 -7.460 3.538 1.00 0.00 H new ATOM 0 HA ASN A 31 29.762 -5.304 5.384 1.00 0.00 H new ATOM 0 HB2 ASN A 31 29.215 -8.165 5.182 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.079 -7.869 6.678 1.00 0.00 H new ATOM 0 HD21 ASN A 31 27.235 -6.871 8.390 1.00 0.00 H new ATOM 0 HD22 ASN A 31 28.782 -7.721 8.324 1.00 0.00 H new ATOM 501 N LEU A 32 32.624 -6.809 5.145 1.00 0.00 N ATOM 502 CA LEU A 32 34.005 -6.791 5.616 1.00 0.00 C ATOM 503 C LEU A 32 34.717 -5.556 5.044 1.00 0.00 C ATOM 504 O LEU A 32 35.569 -4.965 5.681 1.00 0.00 O ATOM 505 CB LEU A 32 34.736 -8.060 5.140 1.00 0.00 C ATOM 506 CG LEU A 32 35.737 -8.666 6.142 1.00 0.00 C ATOM 507 CD1 LEU A 32 36.467 -7.648 7.028 1.00 0.00 C ATOM 508 CD2 LEU A 32 35.023 -9.710 6.994 1.00 0.00 C ATOM 0 H LEU A 32 32.465 -7.332 4.284 1.00 0.00 H new ATOM 0 HA LEU A 32 34.014 -6.756 6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 32 33.991 -8.817 4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 32 35.268 -7.827 4.218 1.00 0.00 H new ATOM 0 HG LEU A 32 36.526 -9.123 5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 32 37.148 -8.172 7.698 1.00 0.00 H new ATOM 0 HD12 LEU A 32 37.033 -6.959 6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 32 35.739 -7.089 7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 32 35.727 -10.142 7.705 1.00 0.00 H new ATOM 0 HD22 LEU A 32 34.203 -9.239 7.536 1.00 0.00 H new ATOM 0 HD23 LEU A 32 34.628 -10.496 6.351 1.00 0.00 H new ATOM 520 N ALA A 33 34.308 -5.227 3.794 1.00 0.00 N ATOM 521 CA ALA A 33 34.926 -4.105 3.100 1.00 0.00 C ATOM 522 C ALA A 33 34.673 -2.787 3.826 1.00 0.00 C ATOM 523 O ALA A 33 35.581 -1.995 4.011 1.00 0.00 O ATOM 524 CB ALA A 33 34.373 -3.974 1.694 1.00 0.00 C ATOM 0 H ALA A 33 33.578 -5.712 3.273 1.00 0.00 H new ATOM 0 HA ALA A 33 35.997 -4.307 3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 33 34.848 -3.130 1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 33 34.577 -4.888 1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 33 33.296 -3.809 1.740 1.00 0.00 H new ATOM 530 N ALA A 34 33.399 -2.621 4.247 1.00 0.00 N ATOM 531 CA ALA A 34 33.051 -1.462 5.066 1.00 0.00 C ATOM 532 C ALA A 34 33.949 -1.419 6.306 1.00 0.00 C ATOM 533 O ALA A 34 34.554 -0.403 6.614 1.00 0.00 O ATOM 534 CB ALA A 34 31.577 -1.506 5.483 1.00 0.00 C ATOM 0 H ALA A 34 32.628 -3.255 4.038 1.00 0.00 H new ATOM 0 HA ALA A 34 33.207 -0.560 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 34 31.345 -0.632 6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 34 30.947 -1.507 4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 34 31.389 -2.411 6.061 1.00 0.00 H new ATOM 540 N ASN A 35 34.054 -2.583 6.967 1.00 0.00 N ATOM 541 CA ASN A 35 34.891 -2.653 8.163 1.00 0.00 C ATOM 542 C ASN A 35 36.352 -2.238 7.898 1.00 0.00 C ATOM 543 O ASN A 35 36.982 -1.643 8.762 1.00 0.00 O ATOM 544 CB ASN A 35 34.864 -4.079 8.737 1.00 0.00 C ATOM 545 CG ASN A 35 34.925 -4.058 10.275 1.00 0.00 C ATOM 546 OD1 ASN A 35 35.212 -3.061 10.910 1.00 0.00 O ATOM 547 ND2 ASN A 35 34.597 -5.249 10.818 1.00 0.00 N ATOM 0 H ASN A 35 33.589 -3.452 6.704 1.00 0.00 H new ATOM 0 HA ASN A 35 34.476 -1.944 8.879 1.00 0.00 H new ATOM 0 HB2 ASN A 35 33.956 -4.588 8.413 1.00 0.00 H new ATOM 0 HB3 ASN A 35 35.706 -4.649 8.344 1.00 0.00 H new ATOM 0 HD21 ASN A 35 34.578 -5.359 11.832 1.00 0.00 H new ATOM 0 HD22 ASN A 35 34.368 -6.039 10.215 1.00 0.00 H new ATOM 554 N PHE A 36 36.839 -2.559 6.675 1.00 0.00 N ATOM 555 CA PHE A 36 38.191 -2.163 6.263 1.00 0.00 C ATOM 556 C PHE A 36 38.319 -0.630 6.289 1.00 0.00 C ATOM 557 O PHE A 36 39.205 -0.094 6.939 1.00 0.00 O ATOM 558 CB PHE A 36 38.514 -2.740 4.867 1.00 0.00 C ATOM 559 CG PHE A 36 39.902 -2.448 4.329 1.00 0.00 C ATOM 560 CD1 PHE A 36 40.268 -1.157 3.948 1.00 0.00 C ATOM 561 CD2 PHE A 36 40.824 -3.475 4.138 1.00 0.00 C ATOM 562 CE1 PHE A 36 41.503 -0.894 3.378 1.00 0.00 C ATOM 563 CE2 PHE A 36 42.069 -3.215 3.574 1.00 0.00 C ATOM 564 CZ PHE A 36 42.411 -1.926 3.189 1.00 0.00 C ATOM 0 H PHE A 36 36.318 -3.083 5.972 1.00 0.00 H new ATOM 0 HA PHE A 36 38.919 -2.572 6.964 1.00 0.00 H new ATOM 0 HB2 PHE A 36 38.381 -3.821 4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 36 37.783 -2.352 4.158 1.00 0.00 H new ATOM 0 HD1 PHE A 36 39.573 -0.344 4.101 1.00 0.00 H new ATOM 0 HD2 PHE A 36 40.570 -4.483 4.431 1.00 0.00 H new ATOM 0 HE1 PHE A 36 41.759 0.113 3.081 1.00 0.00 H new ATOM 0 HE2 PHE A 36 42.774 -4.021 3.435 1.00 0.00 H new ATOM 0 HZ PHE A 36 43.376 -1.728 2.746 1.00 0.00 H new ATOM 574 N LEU A 37 37.410 0.031 5.537 1.00 0.00 N ATOM 575 CA LEU A 37 37.547 1.463 5.288 1.00 0.00 C ATOM 576 C LEU A 37 37.281 2.307 6.563 1.00 0.00 C ATOM 577 O LEU A 37 37.856 3.372 6.744 1.00 0.00 O ATOM 578 CB LEU A 37 36.602 1.911 4.164 1.00 0.00 C ATOM 579 CG LEU A 37 36.801 1.245 2.781 1.00 0.00 C ATOM 580 CD1 LEU A 37 35.603 0.369 2.416 1.00 0.00 C ATOM 581 CD2 LEU A 37 37.026 2.272 1.656 1.00 0.00 C ATOM 0 H LEU A 37 36.594 -0.403 5.105 1.00 0.00 H new ATOM 0 HA LEU A 37 38.580 1.633 4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.578 1.725 4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.707 2.989 4.041 1.00 0.00 H new ATOM 0 HG LEU A 37 37.698 0.632 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.769 -0.087 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.482 -0.413 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.702 0.981 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.160 1.750 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.161 2.932 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 37 37.916 2.862 1.874 1.00 0.00 H new ATOM 593 N LEU A 38 36.379 1.754 7.415 1.00 0.00 N ATOM 594 CA LEU A 38 35.930 2.435 8.631 1.00 0.00 C ATOM 595 C LEU A 38 36.960 2.222 9.769 1.00 0.00 C ATOM 596 O LEU A 38 37.072 3.020 10.687 1.00 0.00 O ATOM 597 CB LEU A 38 34.519 1.980 9.096 1.00 0.00 C ATOM 598 CG LEU A 38 33.362 1.902 8.057 1.00 0.00 C ATOM 599 CD1 LEU A 38 32.071 2.580 8.537 1.00 0.00 C ATOM 600 CD2 LEU A 38 33.720 2.446 6.677 1.00 0.00 C ATOM 0 H LEU A 38 35.955 0.837 7.271 1.00 0.00 H new ATOM 0 HA LEU A 38 35.855 3.495 8.390 1.00 0.00 H new ATOM 0 HB2 LEU A 38 34.625 0.992 9.543 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.202 2.657 9.889 1.00 0.00 H new ATOM 0 HG LEU A 38 33.189 0.830 7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 38 31.305 2.490 7.767 1.00 0.00 H new ATOM 0 HD12 LEU A 38 31.725 2.098 9.451 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.265 3.634 8.734 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.859 2.354 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.002 3.495 6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.555 1.878 6.267 1.00 0.00 H new ATOM 612 N SER A 39 37.710 1.104 9.614 1.00 0.00 N ATOM 613 CA SER A 39 38.799 0.745 10.520 1.00 0.00 C ATOM 614 C SER A 39 39.991 1.708 10.391 1.00 0.00 C ATOM 615 O SER A 39 40.758 1.863 11.331 1.00 0.00 O ATOM 616 CB SER A 39 39.261 -0.699 10.240 1.00 0.00 C ATOM 617 OG SER A 39 40.513 -1.025 10.815 1.00 0.00 O ATOM 0 H SER A 39 37.568 0.436 8.856 1.00 0.00 H new ATOM 0 HA SER A 39 38.420 0.820 11.539 1.00 0.00 H new ATOM 0 HB2 SER A 39 38.508 -1.390 10.618 1.00 0.00 H new ATOM 0 HB3 SER A 39 39.318 -0.849 9.162 1.00 0.00 H new ATOM 0 HG SER A 39 40.741 -1.953 10.598 1.00 0.00 H new ATOM 623 N GLN A 40 40.094 2.338 9.197 1.00 0.00 N ATOM 624 CA GLN A 40 41.148 3.324 8.963 1.00 0.00 C ATOM 625 C GLN A 40 40.688 4.691 9.507 1.00 0.00 C ATOM 626 O GLN A 40 40.285 5.578 8.766 1.00 0.00 O ATOM 627 CB GLN A 40 41.505 3.404 7.463 1.00 0.00 C ATOM 628 CG GLN A 40 41.664 2.036 6.778 1.00 0.00 C ATOM 629 CD GLN A 40 42.291 2.105 5.373 1.00 0.00 C ATOM 630 OE1 GLN A 40 43.040 1.236 4.966 1.00 0.00 O ATOM 631 NE2 GLN A 40 41.924 3.187 4.662 1.00 0.00 N ATOM 0 H GLN A 40 39.471 2.179 8.405 1.00 0.00 H new ATOM 0 HA GLN A 40 42.053 3.021 9.490 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.729 3.968 6.946 1.00 0.00 H new ATOM 0 HB3 GLN A 40 42.434 3.964 7.352 1.00 0.00 H new ATOM 0 HG2 GLN A 40 42.281 1.396 7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.685 1.563 6.704 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.291 3.875 5.070 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.279 3.319 3.715 1.00 0.00 H new ATOM 640 N ASN A 41 40.800 4.783 10.855 1.00 0.00 N ATOM 641 CA ASN A 41 40.447 5.997 11.589 1.00 0.00 C ATOM 642 C ASN A 41 41.237 7.189 11.027 1.00 0.00 C ATOM 643 O ASN A 41 42.444 7.108 10.803 1.00 0.00 O ATOM 644 CB ASN A 41 40.773 5.877 13.092 1.00 0.00 C ATOM 645 CG ASN A 41 40.449 4.531 13.769 1.00 0.00 C ATOM 646 OD1 ASN A 41 41.193 4.058 14.606 1.00 0.00 O ATOM 647 ND2 ASN A 41 39.304 3.946 13.362 1.00 0.00 N ATOM 0 H ASN A 41 41.134 4.022 11.446 1.00 0.00 H new ATOM 0 HA ASN A 41 39.373 6.144 11.471 1.00 0.00 H new ATOM 0 HB2 ASN A 41 41.836 6.077 13.226 1.00 0.00 H new ATOM 0 HB3 ASN A 41 40.232 6.662 13.621 1.00 0.00 H new ATOM 0 HD21 ASN A 41 39.018 3.052 13.762 1.00 0.00 H new ATOM 0 HD22 ASN A 41 38.724 4.397 12.654 1.00 0.00 H new ATOM 654 N PHE A 42 40.468 8.269 10.791 1.00 0.00 N ATOM 655 CA PHE A 42 40.983 9.450 10.115 1.00 0.00 C ATOM 656 C PHE A 42 39.874 10.511 10.085 1.00 0.00 C ATOM 657 O PHE A 42 38.744 10.247 9.696 1.00 0.00 O ATOM 658 CB PHE A 42 41.431 9.101 8.681 1.00 0.00 C ATOM 659 CG PHE A 42 41.913 10.305 7.910 1.00 0.00 C ATOM 660 CD1 PHE A 42 43.109 10.933 8.240 1.00 0.00 C ATOM 661 CD2 PHE A 42 41.159 10.803 6.853 1.00 0.00 C ATOM 662 CE1 PHE A 42 43.545 12.045 7.527 1.00 0.00 C ATOM 663 CE2 PHE A 42 41.590 11.911 6.138 1.00 0.00 C ATOM 664 CZ PHE A 42 42.783 12.532 6.475 1.00 0.00 C ATOM 0 H PHE A 42 39.487 8.337 11.063 1.00 0.00 H new ATOM 0 HA PHE A 42 41.852 9.833 10.651 1.00 0.00 H new ATOM 0 HB2 PHE A 42 42.229 8.360 8.725 1.00 0.00 H new ATOM 0 HB3 PHE A 42 40.599 8.642 8.147 1.00 0.00 H new ATOM 0 HD1 PHE A 42 43.705 10.554 9.057 1.00 0.00 H new ATOM 0 HD2 PHE A 42 40.229 10.323 6.586 1.00 0.00 H new ATOM 0 HE1 PHE A 42 44.474 12.528 7.792 1.00 0.00 H new ATOM 0 HE2 PHE A 42 40.996 12.290 5.319 1.00 0.00 H new ATOM 0 HZ PHE A 42 43.119 13.395 5.919 1.00 0.00 H new ATOM 674 N ASP A 43 40.297 11.720 10.524 1.00 0.00 N ATOM 675 CA ASP A 43 39.470 12.924 10.517 1.00 0.00 C ATOM 676 C ASP A 43 38.406 12.926 11.648 1.00 0.00 C ATOM 677 O ASP A 43 37.678 13.893 11.811 1.00 0.00 O ATOM 678 CB ASP A 43 38.855 13.144 9.117 1.00 0.00 C ATOM 679 CG ASP A 43 38.446 14.608 8.878 1.00 0.00 C ATOM 680 OD1 ASP A 43 39.329 15.465 8.869 1.00 0.00 O ATOM 681 OD2 ASP A 43 37.258 14.876 8.697 1.00 0.00 O ATOM 0 H ASP A 43 41.234 11.876 10.895 1.00 0.00 H new ATOM 0 HA ASP A 43 40.116 13.775 10.733 1.00 0.00 H new ATOM 0 HB2 ASP A 43 39.574 12.842 8.356 1.00 0.00 H new ATOM 0 HB3 ASP A 43 37.981 12.502 9.002 1.00 0.00 H new ATOM 686 N ASP A 44 38.364 11.801 12.403 1.00 0.00 N ATOM 687 CA ASP A 44 37.423 11.561 13.499 1.00 0.00 C ATOM 688 C ASP A 44 35.958 11.827 13.078 1.00 0.00 C ATOM 689 O ASP A 44 35.217 12.536 13.743 1.00 0.00 O ATOM 690 CB ASP A 44 37.865 12.343 14.768 1.00 0.00 C ATOM 691 CG ASP A 44 38.247 11.378 15.908 1.00 0.00 C ATOM 692 OD1 ASP A 44 39.344 10.821 15.870 1.00 0.00 O ATOM 693 OD2 ASP A 44 37.440 11.194 16.819 1.00 0.00 O ATOM 0 H ASP A 44 39.005 11.022 12.254 1.00 0.00 H new ATOM 0 HA ASP A 44 37.448 10.502 13.757 1.00 0.00 H new ATOM 0 HB2 ASP A 44 38.715 12.982 14.528 1.00 0.00 H new ATOM 0 HB3 ASP A 44 37.057 12.997 15.096 1.00 0.00 H new ATOM 698 N GLU A 45 35.610 11.226 11.915 1.00 0.00 N ATOM 699 CA GLU A 45 34.304 11.492 11.310 1.00 0.00 C ATOM 700 C GLU A 45 34.010 10.457 10.203 1.00 0.00 C ATOM 701 O GLU A 45 34.931 10.090 9.474 1.00 0.00 O ATOM 702 CB GLU A 45 34.255 12.938 10.748 1.00 0.00 C ATOM 703 CG GLU A 45 33.125 13.797 11.354 1.00 0.00 C ATOM 704 CD GLU A 45 32.165 14.385 10.303 1.00 0.00 C ATOM 705 OE1 GLU A 45 32.640 14.945 9.315 1.00 0.00 O ATOM 706 OE2 GLU A 45 30.952 14.285 10.488 1.00 0.00 O ATOM 707 OXT GLU A 45 32.860 10.032 10.082 1.00 0.00 O ATOM 0 H GLU A 45 36.202 10.575 11.398 1.00 0.00 H new ATOM 0 HA GLU A 45 33.533 11.401 12.075 1.00 0.00 H new ATOM 0 HB2 GLU A 45 35.212 13.425 10.937 1.00 0.00 H new ATOM 0 HB3 GLU A 45 34.127 12.895 9.666 1.00 0.00 H new ATOM 0 HG2 GLU A 45 32.554 13.189 12.055 1.00 0.00 H new ATOM 0 HG3 GLU A 45 33.567 14.612 11.926 1.00 0.00 H new TER 714 GLU A 45