USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 408 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 37 SER OG : rot -42:sc= 1.11 USER MOD Set 1.2: A 38 GLN : amide:sc= 0.493 K(o=1.6,f=0.79) USER MOD Set 2.1: A 21 ASN : amide:sc= 0.0171 K(o=-0.07,f=-4.3!) USER MOD Set 2.2: A 24 GLN : amide:sc= -0.087 K(o=-0.07,f=-4.3) USER MOD Set 3.1: A 1 ALA N :NH3+ 170:sc= 0.86 (180deg=0) USER MOD Set 3.2: A 3 HIS : no HD1:sc= 0.751 K(o=1.6,f=-1.2) USER MOD Single : A 2 GLN : amide:sc= -0.0377 K(o=-0.038,f=-0.79) USER MOD Single : A 7 GLN : amide:sc= -1.02 X(o=-1,f=-0.9) USER MOD Single : A 8 GLN : amide:sc= 0.689 K(o=0.69,f=-0.031) USER MOD Single : A 9 ASN : amide:sc= -0.696 K(o=-0.7,f=-5.8!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.346 X(o=0.35,f=0) USER MOD Single : A 16 ASN : amide:sc= 0.898 K(o=0.9,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.823 K(o=0.82,f=-0.52) USER MOD Single : A 26 ASN : amide:sc= 0.883 K(o=0.88,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.22) USER MOD Single : A 31 SER OG : rot 75:sc= 0.877 USER MOD Single : A 33 LYS NZ :NH3+ -116:sc= -0.0529 (180deg=-0.547) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 47 GLN : amide:sc= 0.424 X(o=0.42,f=-0.045) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.447 K(o=0.45,f=-5.6!) USER MOD Single : A 52 SER OG : rot -31:sc= 0.84 USER MOD Single : A 53 GLN : amide:sc= 0.246 X(o=0.25,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0825) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.213 20.768 -7.153 1.00 0.00 N ATOM 2 CA ALA A 1 -13.835 19.471 -7.473 1.00 0.00 C ATOM 3 C ALA A 1 -12.810 18.337 -7.458 1.00 0.00 C ATOM 4 O ALA A 1 -12.918 17.415 -6.650 1.00 0.00 O ATOM 5 CB ALA A 1 -14.573 19.534 -8.814 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.893 21.534 -7.336 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.937 20.783 -6.150 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.370 20.904 -7.746 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.568 19.256 -6.695 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.023 18.565 -9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.353 20.294 -8.765 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.868 19.789 -9.606 1.00 0.00 H new ATOM 13 N GLN A 2 -11.816 18.409 -8.353 1.00 0.00 N ATOM 14 CA GLN A 2 -10.760 17.413 -8.479 1.00 0.00 C ATOM 15 C GLN A 2 -9.708 17.662 -7.394 1.00 0.00 C ATOM 16 O GLN A 2 -8.624 18.175 -7.668 1.00 0.00 O ATOM 17 CB GLN A 2 -10.184 17.467 -9.902 1.00 0.00 C ATOM 18 CG GLN A 2 -9.263 16.272 -10.185 1.00 0.00 C ATOM 19 CD GLN A 2 -8.700 16.290 -11.605 1.00 0.00 C ATOM 20 OE1 GLN A 2 -8.803 17.287 -12.317 1.00 0.00 O ATOM 21 NE2 GLN A 2 -8.096 15.177 -12.027 1.00 0.00 N ATOM 0 H GLN A 2 -11.727 19.177 -9.018 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.146 16.405 -8.329 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -11.000 17.478 -10.625 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -9.628 18.395 -10.035 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.439 16.275 -9.471 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.816 15.346 -10.029 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.028 14.368 -11.410 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.702 15.136 -12.967 1.00 0.00 H new ATOM 30 N HIS A 3 -10.047 17.301 -6.152 1.00 0.00 N ATOM 31 CA HIS A 3 -9.233 17.554 -4.972 1.00 0.00 C ATOM 32 C HIS A 3 -8.118 16.512 -4.859 1.00 0.00 C ATOM 33 O HIS A 3 -8.153 15.651 -3.982 1.00 0.00 O ATOM 34 CB HIS A 3 -10.140 17.579 -3.735 1.00 0.00 C ATOM 35 CG HIS A 3 -11.252 18.593 -3.844 1.00 0.00 C ATOM 36 ND1 HIS A 3 -12.587 18.260 -3.665 1.00 0.00 N ATOM 37 CD2 HIS A 3 -11.252 19.933 -4.150 1.00 0.00 C ATOM 38 CE1 HIS A 3 -13.307 19.377 -3.862 1.00 0.00 C ATOM 39 NE2 HIS A 3 -12.551 20.434 -4.166 1.00 0.00 N ATOM 0 H HIS A 3 -10.918 16.813 -5.941 1.00 0.00 H new ATOM 0 HA HIS A 3 -8.744 18.525 -5.053 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.571 16.589 -3.586 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -9.538 17.800 -2.854 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -10.366 20.517 -4.351 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -14.383 19.416 -3.783 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -12.854 21.387 -4.364 1.00 0.00 H new ATOM 47 N ASP A 4 -7.130 16.604 -5.757 1.00 0.00 N ATOM 48 CA ASP A 4 -5.969 15.728 -5.831 1.00 0.00 C ATOM 49 C ASP A 4 -6.398 14.282 -6.093 1.00 0.00 C ATOM 50 O ASP A 4 -6.295 13.422 -5.222 1.00 0.00 O ATOM 51 CB ASP A 4 -5.081 15.894 -4.585 1.00 0.00 C ATOM 52 CG ASP A 4 -3.685 15.291 -4.754 1.00 0.00 C ATOM 53 OD1 ASP A 4 -3.513 14.436 -5.651 1.00 0.00 O ATOM 54 OD2 ASP A 4 -2.801 15.700 -3.970 1.00 0.00 O ATOM 0 H ASP A 4 -7.123 17.324 -6.480 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.352 16.018 -6.681 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.986 16.955 -4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.572 15.425 -3.732 1.00 0.00 H new ATOM 59 N GLU A 5 -6.863 14.027 -7.321 1.00 0.00 N ATOM 60 CA GLU A 5 -7.248 12.709 -7.812 1.00 0.00 C ATOM 61 C GLU A 5 -6.158 11.668 -7.550 1.00 0.00 C ATOM 62 O GLU A 5 -6.470 10.535 -7.191 1.00 0.00 O ATOM 63 CB GLU A 5 -7.595 12.835 -9.303 1.00 0.00 C ATOM 64 CG GLU A 5 -7.961 11.511 -9.995 1.00 0.00 C ATOM 65 CD GLU A 5 -6.754 10.639 -10.352 1.00 0.00 C ATOM 66 OE1 GLU A 5 -5.715 11.216 -10.741 1.00 0.00 O ATOM 67 OE2 GLU A 5 -6.892 9.402 -10.236 1.00 0.00 O ATOM 0 H GLU A 5 -6.984 14.760 -8.020 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.125 12.352 -7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.430 13.527 -9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.745 13.278 -9.823 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.625 10.944 -9.343 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.519 11.731 -10.905 1.00 0.00 H new ATOM 74 N ALA A 6 -4.886 12.043 -7.726 1.00 0.00 N ATOM 75 CA ALA A 6 -3.761 11.146 -7.512 1.00 0.00 C ATOM 76 C ALA A 6 -3.683 10.667 -6.062 1.00 0.00 C ATOM 77 O ALA A 6 -3.411 9.493 -5.824 1.00 0.00 O ATOM 78 CB ALA A 6 -2.461 11.826 -7.945 1.00 0.00 C ATOM 0 H ALA A 6 -4.614 12.981 -8.022 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.912 10.259 -8.127 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.624 11.148 -7.781 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.519 12.082 -9.003 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.313 12.733 -7.360 1.00 0.00 H new ATOM 84 N GLN A 7 -3.928 11.560 -5.094 1.00 0.00 N ATOM 85 CA GLN A 7 -3.930 11.202 -3.683 1.00 0.00 C ATOM 86 C GLN A 7 -5.023 10.170 -3.395 1.00 0.00 C ATOM 87 O GLN A 7 -4.758 9.181 -2.710 1.00 0.00 O ATOM 88 CB GLN A 7 -4.075 12.463 -2.819 1.00 0.00 C ATOM 89 CG GLN A 7 -4.092 12.184 -1.311 1.00 0.00 C ATOM 90 CD GLN A 7 -2.796 11.542 -0.820 1.00 0.00 C ATOM 91 OE1 GLN A 7 -1.899 12.233 -0.346 1.00 0.00 O ATOM 92 NE2 GLN A 7 -2.697 10.216 -0.927 1.00 0.00 N ATOM 0 H GLN A 7 -4.129 12.544 -5.273 1.00 0.00 H new ATOM 0 HA GLN A 7 -2.978 10.738 -3.425 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.253 13.142 -3.044 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -4.996 12.976 -3.094 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -4.257 13.118 -0.774 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -4.930 11.528 -1.076 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.466 9.678 -1.327 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.853 9.740 -0.609 1.00 0.00 H new ATOM 101 N GLN A 8 -6.237 10.384 -3.925 1.00 0.00 N ATOM 102 CA GLN A 8 -7.310 9.404 -3.813 1.00 0.00 C ATOM 103 C GLN A 8 -6.869 8.071 -4.405 1.00 0.00 C ATOM 104 O GLN A 8 -6.990 7.048 -3.737 1.00 0.00 O ATOM 105 CB GLN A 8 -8.603 9.862 -4.503 1.00 0.00 C ATOM 106 CG GLN A 8 -9.428 10.816 -3.640 1.00 0.00 C ATOM 107 CD GLN A 8 -8.837 12.221 -3.625 1.00 0.00 C ATOM 108 OE1 GLN A 8 -8.094 12.578 -2.713 1.00 0.00 O ATOM 109 NE2 GLN A 8 -9.168 13.018 -4.641 1.00 0.00 N ATOM 0 H GLN A 8 -6.493 11.230 -4.434 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.523 9.293 -2.750 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.353 10.354 -5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.207 8.989 -4.750 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.450 10.856 -4.017 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.479 10.432 -2.621 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.788 12.677 -5.375 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.801 13.969 -4.684 1.00 0.00 H new ATOM 118 N ASN A 9 -6.370 8.079 -5.648 1.00 0.00 N ATOM 119 CA ASN A 9 -6.016 6.854 -6.348 1.00 0.00 C ATOM 120 C ASN A 9 -4.930 6.075 -5.608 1.00 0.00 C ATOM 121 O ASN A 9 -4.967 4.849 -5.588 1.00 0.00 O ATOM 122 CB ASN A 9 -5.759 7.104 -7.848 1.00 0.00 C ATOM 123 CG ASN A 9 -4.350 7.478 -8.317 1.00 0.00 C ATOM 124 OD1 ASN A 9 -3.339 7.159 -7.698 1.00 0.00 O ATOM 125 ND2 ASN A 9 -4.282 8.150 -9.468 1.00 0.00 N ATOM 0 H ASN A 9 -6.204 8.930 -6.186 1.00 0.00 H new ATOM 0 HA ASN A 9 -6.876 6.184 -6.339 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.054 6.203 -8.385 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.432 7.900 -8.167 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.374 8.411 -9.853 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.138 8.403 -9.962 1.00 0.00 H new ATOM 132 N ALA A 10 -3.982 6.782 -4.984 1.00 0.00 N ATOM 133 CA ALA A 10 -2.913 6.174 -4.213 1.00 0.00 C ATOM 134 C ALA A 10 -3.487 5.410 -3.019 1.00 0.00 C ATOM 135 O ALA A 10 -3.287 4.201 -2.925 1.00 0.00 O ATOM 136 CB ALA A 10 -1.896 7.235 -3.790 1.00 0.00 C ATOM 0 H ALA A 10 -3.942 7.801 -5.005 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.385 5.450 -4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.100 6.766 -3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.472 7.706 -4.677 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.391 7.990 -3.179 1.00 0.00 H new ATOM 142 N PHE A 11 -4.212 6.098 -2.124 1.00 0.00 N ATOM 143 CA PHE A 11 -4.858 5.466 -0.976 1.00 0.00 C ATOM 144 C PHE A 11 -5.740 4.294 -1.415 1.00 0.00 C ATOM 145 O PHE A 11 -5.651 3.204 -0.853 1.00 0.00 O ATOM 146 CB PHE A 11 -5.714 6.484 -0.205 1.00 0.00 C ATOM 147 CG PHE A 11 -4.968 7.548 0.582 1.00 0.00 C ATOM 148 CD1 PHE A 11 -4.030 7.169 1.561 1.00 0.00 C ATOM 149 CD2 PHE A 11 -5.390 8.891 0.515 1.00 0.00 C ATOM 150 CE1 PHE A 11 -3.480 8.128 2.428 1.00 0.00 C ATOM 151 CE2 PHE A 11 -4.848 9.848 1.391 1.00 0.00 C ATOM 152 CZ PHE A 11 -3.878 9.472 2.335 1.00 0.00 C ATOM 0 H PHE A 11 -4.363 7.105 -2.180 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.069 5.090 -0.324 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.370 6.985 -0.917 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.354 5.936 0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.731 6.135 1.646 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.132 9.186 -0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.750 7.832 3.167 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.178 10.875 1.338 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.440 10.213 2.987 1.00 0.00 H new ATOM 162 N TYR A 12 -6.590 4.532 -2.418 1.00 0.00 N ATOM 163 CA TYR A 12 -7.547 3.565 -2.928 1.00 0.00 C ATOM 164 C TYR A 12 -6.850 2.295 -3.416 1.00 0.00 C ATOM 165 O TYR A 12 -7.269 1.199 -3.058 1.00 0.00 O ATOM 166 CB TYR A 12 -8.386 4.209 -4.036 1.00 0.00 C ATOM 167 CG TYR A 12 -9.460 3.291 -4.579 1.00 0.00 C ATOM 168 CD1 TYR A 12 -10.677 3.150 -3.888 1.00 0.00 C ATOM 169 CD2 TYR A 12 -9.192 2.486 -5.701 1.00 0.00 C ATOM 170 CE1 TYR A 12 -11.607 2.177 -4.294 1.00 0.00 C ATOM 171 CE2 TYR A 12 -10.117 1.507 -6.101 1.00 0.00 C ATOM 172 CZ TYR A 12 -11.319 1.343 -5.391 1.00 0.00 C ATOM 173 OH TYR A 12 -12.203 0.375 -5.768 1.00 0.00 O ATOM 0 H TYR A 12 -6.627 5.427 -2.905 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.211 3.266 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -8.853 5.115 -3.650 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.729 4.511 -4.851 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.897 3.789 -3.046 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.275 2.621 -6.255 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.542 2.069 -3.764 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.904 0.880 -6.954 1.00 0.00 H new ATOM 0 HH TYR A 12 -11.848 -0.108 -6.543 1.00 0.00 H new ATOM 183 N GLN A 13 -5.794 2.429 -4.225 1.00 0.00 N ATOM 184 CA GLN A 13 -5.042 1.290 -4.733 1.00 0.00 C ATOM 185 C GLN A 13 -4.357 0.534 -3.593 1.00 0.00 C ATOM 186 O GLN A 13 -4.436 -0.690 -3.553 1.00 0.00 O ATOM 187 CB GLN A 13 -4.034 1.753 -5.790 1.00 0.00 C ATOM 188 CG GLN A 13 -4.740 2.078 -7.113 1.00 0.00 C ATOM 189 CD GLN A 13 -3.780 2.704 -8.121 1.00 0.00 C ATOM 190 OE1 GLN A 13 -3.347 2.048 -9.065 1.00 0.00 O ATOM 191 NE2 GLN A 13 -3.446 3.980 -7.924 1.00 0.00 N ATOM 0 H GLN A 13 -5.441 3.332 -4.543 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.735 0.596 -5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.503 2.634 -5.430 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.288 0.975 -5.953 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.166 1.167 -7.533 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.569 2.761 -6.926 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.828 4.490 -7.127 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.809 4.446 -8.570 1.00 0.00 H new ATOM 200 N VAL A 14 -3.702 1.245 -2.665 1.00 0.00 N ATOM 201 CA VAL A 14 -3.049 0.638 -1.507 1.00 0.00 C ATOM 202 C VAL A 14 -4.036 -0.226 -0.710 1.00 0.00 C ATOM 203 O VAL A 14 -3.685 -1.333 -0.305 1.00 0.00 O ATOM 204 CB VAL A 14 -2.378 1.725 -0.648 1.00 0.00 C ATOM 205 CG1 VAL A 14 -1.873 1.166 0.688 1.00 0.00 C ATOM 206 CG2 VAL A 14 -1.172 2.324 -1.386 1.00 0.00 C ATOM 0 H VAL A 14 -3.612 2.260 -2.700 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.262 -0.034 -1.850 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.136 2.485 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.406 1.965 1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.711 0.755 1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.142 0.380 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.709 3.091 -0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.446 1.538 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.504 2.769 -2.324 1.00 0.00 H new ATOM 216 N LEU A 15 -5.267 0.262 -0.500 1.00 0.00 N ATOM 217 CA LEU A 15 -6.332 -0.524 0.113 1.00 0.00 C ATOM 218 C LEU A 15 -6.673 -1.733 -0.766 1.00 0.00 C ATOM 219 O LEU A 15 -6.618 -2.870 -0.303 1.00 0.00 O ATOM 220 CB LEU A 15 -7.579 0.347 0.335 1.00 0.00 C ATOM 221 CG LEU A 15 -7.406 1.406 1.436 1.00 0.00 C ATOM 222 CD1 LEU A 15 -8.510 2.461 1.308 1.00 0.00 C ATOM 223 CD2 LEU A 15 -7.480 0.776 2.833 1.00 0.00 C ATOM 0 H LEU A 15 -5.546 1.210 -0.752 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.986 -0.885 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.834 0.846 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.420 -0.297 0.592 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.425 1.864 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.388 3.212 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.445 2.939 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.484 1.983 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.354 1.551 3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.449 0.295 2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.689 0.033 2.940 1.00 0.00 H new ATOM 235 N ASN A 16 -7.030 -1.485 -2.031 1.00 0.00 N ATOM 236 CA ASN A 16 -7.470 -2.505 -2.974 1.00 0.00 C ATOM 237 C ASN A 16 -6.263 -3.202 -3.610 1.00 0.00 C ATOM 238 O ASN A 16 -6.020 -3.065 -4.808 1.00 0.00 O ATOM 239 CB ASN A 16 -8.396 -1.879 -4.030 1.00 0.00 C ATOM 240 CG ASN A 16 -9.729 -1.425 -3.436 1.00 0.00 C ATOM 241 OD1 ASN A 16 -10.715 -2.156 -3.490 1.00 0.00 O ATOM 242 ND2 ASN A 16 -9.775 -0.218 -2.870 1.00 0.00 N ATOM 0 H ASN A 16 -7.019 -0.547 -2.431 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.040 -3.267 -2.443 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.896 -1.026 -4.489 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.582 -2.604 -4.823 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.647 0.123 -2.465 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.938 0.364 -2.842 1.00 0.00 H new ATOM 249 N MET A 17 -5.524 -3.966 -2.795 1.00 0.00 N ATOM 250 CA MET A 17 -4.426 -4.829 -3.216 1.00 0.00 C ATOM 251 C MET A 17 -4.617 -6.200 -2.553 1.00 0.00 C ATOM 252 O MET A 17 -4.863 -6.254 -1.348 1.00 0.00 O ATOM 253 CB MET A 17 -3.082 -4.197 -2.830 1.00 0.00 C ATOM 254 CG MET A 17 -2.505 -3.383 -3.991 1.00 0.00 C ATOM 255 SD MET A 17 -1.029 -2.418 -3.573 1.00 0.00 S ATOM 256 CE MET A 17 -0.924 -1.367 -5.041 1.00 0.00 C ATOM 0 H MET A 17 -5.685 -3.997 -1.788 1.00 0.00 H new ATOM 0 HA MET A 17 -4.424 -4.952 -4.299 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.215 -3.553 -1.961 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.378 -4.978 -2.543 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.260 -4.062 -4.808 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.274 -2.705 -4.360 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.064 -0.703 -4.952 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.811 -1.991 -5.928 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.834 -0.773 -5.129 1.00 0.00 H new ATOM 266 N PRO A 18 -4.530 -7.306 -3.313 1.00 0.00 N ATOM 267 CA PRO A 18 -4.899 -8.634 -2.840 1.00 0.00 C ATOM 268 C PRO A 18 -3.886 -9.224 -1.857 1.00 0.00 C ATOM 269 O PRO A 18 -4.286 -9.853 -0.879 1.00 0.00 O ATOM 270 CB PRO A 18 -5.011 -9.497 -4.101 1.00 0.00 C ATOM 271 CG PRO A 18 -4.042 -8.831 -5.076 1.00 0.00 C ATOM 272 CD PRO A 18 -4.194 -7.351 -4.728 1.00 0.00 C ATOM 0 HA PRO A 18 -5.833 -8.592 -2.280 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.734 -10.533 -3.904 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.029 -9.508 -4.491 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -3.019 -9.179 -4.934 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.306 -9.034 -6.114 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.271 -6.806 -4.928 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.975 -6.887 -5.330 1.00 0.00 H new ATOM 280 N ASN A 19 -2.586 -9.043 -2.116 1.00 0.00 N ATOM 281 CA ASN A 19 -1.530 -9.732 -1.384 1.00 0.00 C ATOM 282 C ASN A 19 -1.099 -8.938 -0.152 1.00 0.00 C ATOM 283 O ASN A 19 -0.638 -9.533 0.820 1.00 0.00 O ATOM 284 CB ASN A 19 -0.333 -10.003 -2.302 1.00 0.00 C ATOM 285 CG ASN A 19 -0.712 -10.771 -3.571 1.00 0.00 C ATOM 286 OD1 ASN A 19 -1.712 -11.483 -3.607 1.00 0.00 O ATOM 287 ND2 ASN A 19 0.089 -10.625 -4.628 1.00 0.00 N ATOM 0 H ASN A 19 -2.242 -8.413 -2.841 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.927 -10.687 -1.039 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.125 -9.054 -2.582 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.418 -10.570 -1.752 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.122 -11.112 -5.499 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.912 -10.026 -4.565 1.00 0.00 H new ATOM 294 N LEU A 20 -1.258 -7.607 -0.175 1.00 0.00 N ATOM 295 CA LEU A 20 -1.068 -6.789 1.012 1.00 0.00 C ATOM 296 C LEU A 20 -2.111 -7.172 2.058 1.00 0.00 C ATOM 297 O LEU A 20 -3.306 -7.120 1.778 1.00 0.00 O ATOM 298 CB LEU A 20 -1.216 -5.298 0.684 1.00 0.00 C ATOM 299 CG LEU A 20 -0.187 -4.753 -0.314 1.00 0.00 C ATOM 300 CD1 LEU A 20 -0.242 -3.223 -0.287 1.00 0.00 C ATOM 301 CD2 LEU A 20 1.247 -5.200 -0.017 1.00 0.00 C ATOM 0 H LEU A 20 -1.518 -7.081 -1.009 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.062 -6.964 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.215 -5.126 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.141 -4.728 1.610 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.448 -5.153 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.485 -2.820 -0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.242 -2.890 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.009 -2.868 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.921 -4.778 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.538 -4.853 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.304 -6.288 -0.052 1.00 0.00 H new ATOM 313 N ASN A 21 -1.658 -7.531 3.264 1.00 0.00 N ATOM 314 CA ASN A 21 -2.536 -7.727 4.407 1.00 0.00 C ATOM 315 C ASN A 21 -2.696 -6.397 5.150 1.00 0.00 C ATOM 316 O ASN A 21 -2.120 -5.383 4.750 1.00 0.00 O ATOM 317 CB ASN A 21 -2.007 -8.858 5.305 1.00 0.00 C ATOM 318 CG ASN A 21 -0.729 -8.484 6.053 1.00 0.00 C ATOM 319 OD1 ASN A 21 -0.787 -7.789 7.064 1.00 0.00 O ATOM 320 ND2 ASN A 21 0.426 -8.942 5.566 1.00 0.00 N ATOM 0 H ASN A 21 -0.672 -7.692 3.468 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.525 -8.041 4.075 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.777 -9.130 6.027 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.818 -9.740 4.694 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.303 -8.717 6.036 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.432 -9.517 4.723 1.00 0.00 H new ATOM 327 N ALA A 22 -3.488 -6.412 6.228 1.00 0.00 N ATOM 328 CA ALA A 22 -3.827 -5.239 7.021 1.00 0.00 C ATOM 329 C ALA A 22 -2.590 -4.445 7.450 1.00 0.00 C ATOM 330 O ALA A 22 -2.558 -3.229 7.278 1.00 0.00 O ATOM 331 CB ALA A 22 -4.649 -5.668 8.236 1.00 0.00 C ATOM 0 H ALA A 22 -3.920 -7.268 6.577 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.419 -4.570 6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.904 -4.791 8.831 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.564 -6.158 7.902 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.067 -6.361 8.843 1.00 0.00 H new ATOM 337 N ASP A 23 -1.574 -5.124 7.996 1.00 0.00 N ATOM 338 CA ASP A 23 -0.353 -4.482 8.466 1.00 0.00 C ATOM 339 C ASP A 23 0.313 -3.677 7.348 1.00 0.00 C ATOM 340 O ASP A 23 0.701 -2.530 7.563 1.00 0.00 O ATOM 341 CB ASP A 23 0.610 -5.535 9.028 1.00 0.00 C ATOM 342 CG ASP A 23 1.892 -4.894 9.554 1.00 0.00 C ATOM 343 OD1 ASP A 23 1.857 -4.419 10.710 1.00 0.00 O ATOM 344 OD2 ASP A 23 2.882 -4.888 8.790 1.00 0.00 O ATOM 0 H ASP A 23 -1.581 -6.136 8.122 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.614 -3.785 9.262 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.121 -6.086 9.831 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.856 -6.258 8.250 1.00 0.00 H new ATOM 349 N GLN A 24 0.440 -4.282 6.161 1.00 0.00 N ATOM 350 CA GLN A 24 1.133 -3.669 5.038 1.00 0.00 C ATOM 351 C GLN A 24 0.393 -2.415 4.579 1.00 0.00 C ATOM 352 O GLN A 24 0.982 -1.336 4.541 1.00 0.00 O ATOM 353 CB GLN A 24 1.298 -4.647 3.864 1.00 0.00 C ATOM 354 CG GLN A 24 1.634 -6.091 4.250 1.00 0.00 C ATOM 355 CD GLN A 24 2.791 -6.225 5.235 1.00 0.00 C ATOM 356 OE1 GLN A 24 2.673 -6.931 6.234 1.00 0.00 O ATOM 357 NE2 GLN A 24 3.911 -5.559 4.955 1.00 0.00 N ATOM 0 H GLN A 24 0.064 -5.208 5.959 1.00 0.00 H new ATOM 0 HA GLN A 24 2.130 -3.393 5.380 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.375 -4.650 3.284 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.085 -4.272 3.209 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.748 -6.554 4.684 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.876 -6.650 3.346 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.966 -4.984 4.114 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.713 -5.624 5.581 1.00 0.00 H new ATOM 366 N ARG A 25 -0.893 -2.562 4.229 1.00 0.00 N ATOM 367 CA ARG A 25 -1.686 -1.470 3.683 1.00 0.00 C ATOM 368 C ARG A 25 -1.759 -0.301 4.667 1.00 0.00 C ATOM 369 O ARG A 25 -1.541 0.836 4.261 1.00 0.00 O ATOM 370 CB ARG A 25 -3.066 -1.952 3.209 1.00 0.00 C ATOM 371 CG ARG A 25 -3.982 -2.394 4.356 1.00 0.00 C ATOM 372 CD ARG A 25 -5.322 -2.928 3.851 1.00 0.00 C ATOM 373 NE ARG A 25 -5.162 -4.168 3.084 1.00 0.00 N ATOM 374 CZ ARG A 25 -6.134 -4.716 2.336 1.00 0.00 C ATOM 375 NH1 ARG A 25 -7.367 -4.189 2.319 1.00 0.00 N ATOM 376 NH2 ARG A 25 -5.875 -5.800 1.595 1.00 0.00 N ATOM 0 H ARG A 25 -1.404 -3.440 4.319 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.183 -1.094 2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.552 -1.150 2.654 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.934 -2.784 2.517 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.482 -3.166 4.941 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.157 -1.551 5.024 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.984 -3.108 4.698 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.801 -2.174 3.227 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.260 -4.642 3.121 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.576 -3.362 2.878 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.096 -4.615 1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.941 -6.209 1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.612 -6.217 1.027 1.00 0.00 H new ATOM 390 N ASN A 26 -2.034 -0.569 5.952 1.00 0.00 N ATOM 391 CA ASN A 26 -2.068 0.469 6.977 1.00 0.00 C ATOM 392 C ASN A 26 -0.704 1.148 7.102 1.00 0.00 C ATOM 393 O ASN A 26 -0.646 2.371 7.200 1.00 0.00 O ATOM 394 CB ASN A 26 -2.540 -0.087 8.327 1.00 0.00 C ATOM 395 CG ASN A 26 -4.061 -0.235 8.376 1.00 0.00 C ATOM 396 OD1 ASN A 26 -4.750 0.628 8.914 1.00 0.00 O ATOM 397 ND2 ASN A 26 -4.598 -1.321 7.819 1.00 0.00 N ATOM 0 H ASN A 26 -2.237 -1.505 6.302 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.794 1.221 6.668 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.074 -1.056 8.505 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.213 0.576 9.128 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.609 -1.454 7.832 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.998 -2.019 7.380 1.00 0.00 H new ATOM 404 N GLY A 27 0.386 0.370 7.080 1.00 0.00 N ATOM 405 CA GLY A 27 1.743 0.894 7.089 1.00 0.00 C ATOM 406 C GLY A 27 1.945 1.933 5.985 1.00 0.00 C ATOM 407 O GLY A 27 2.346 3.063 6.264 1.00 0.00 O ATOM 0 H GLY A 27 0.342 -0.649 7.055 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.955 1.345 8.059 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.452 0.077 6.956 1.00 0.00 H new ATOM 411 N PHE A 28 1.651 1.552 4.736 1.00 0.00 N ATOM 412 CA PHE A 28 1.776 2.430 3.580 1.00 0.00 C ATOM 413 C PHE A 28 0.874 3.662 3.697 1.00 0.00 C ATOM 414 O PHE A 28 1.332 4.769 3.427 1.00 0.00 O ATOM 415 CB PHE A 28 1.499 1.648 2.289 1.00 0.00 C ATOM 416 CG PHE A 28 2.589 0.663 1.904 1.00 0.00 C ATOM 417 CD1 PHE A 28 3.893 1.127 1.646 1.00 0.00 C ATOM 418 CD2 PHE A 28 2.303 -0.710 1.774 1.00 0.00 C ATOM 419 CE1 PHE A 28 4.913 0.222 1.310 1.00 0.00 C ATOM 420 CE2 PHE A 28 3.325 -1.616 1.437 1.00 0.00 C ATOM 421 CZ PHE A 28 4.628 -1.148 1.195 1.00 0.00 C ATOM 0 H PHE A 28 1.317 0.617 4.504 1.00 0.00 H new ATOM 0 HA PHE A 28 2.801 2.799 3.546 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.560 1.106 2.402 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.362 2.357 1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.110 2.183 1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.297 -1.068 1.933 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.918 0.580 1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.108 -2.672 1.364 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.409 -1.841 0.921 1.00 0.00 H new ATOM 431 N ILE A 29 -0.391 3.489 4.099 1.00 0.00 N ATOM 432 CA ILE A 29 -1.347 4.582 4.267 1.00 0.00 C ATOM 433 C ILE A 29 -0.804 5.620 5.252 1.00 0.00 C ATOM 434 O ILE A 29 -0.802 6.810 4.944 1.00 0.00 O ATOM 435 CB ILE A 29 -2.718 4.020 4.694 1.00 0.00 C ATOM 436 CG1 ILE A 29 -3.368 3.298 3.501 1.00 0.00 C ATOM 437 CG2 ILE A 29 -3.660 5.123 5.198 1.00 0.00 C ATOM 438 CD1 ILE A 29 -4.494 2.349 3.918 1.00 0.00 C ATOM 0 H ILE A 29 -0.781 2.573 4.319 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.488 5.095 3.316 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.551 3.324 5.516 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.763 4.039 2.806 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.605 2.734 2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.614 4.682 5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.212 5.618 6.060 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.824 5.852 4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.913 1.870 3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.098 1.587 4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.275 2.913 4.429 1.00 0.00 H new ATOM 450 N GLN A 30 -0.339 5.176 6.427 1.00 0.00 N ATOM 451 CA GLN A 30 0.237 6.054 7.435 1.00 0.00 C ATOM 452 C GLN A 30 1.479 6.764 6.896 1.00 0.00 C ATOM 453 O GLN A 30 1.615 7.970 7.086 1.00 0.00 O ATOM 454 CB GLN A 30 0.555 5.268 8.714 1.00 0.00 C ATOM 455 CG GLN A 30 -0.714 4.820 9.456 1.00 0.00 C ATOM 456 CD GLN A 30 -1.562 5.997 9.931 1.00 0.00 C ATOM 457 OE1 GLN A 30 -2.682 6.187 9.464 1.00 0.00 O ATOM 458 NE2 GLN A 30 -1.032 6.794 10.861 1.00 0.00 N ATOM 0 H GLN A 30 -0.355 4.193 6.699 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.497 6.820 7.684 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.153 4.392 8.460 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.161 5.886 9.376 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.311 4.189 8.798 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.432 4.210 10.314 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.098 6.603 11.224 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.561 7.594 11.208 1.00 0.00 H new ATOM 467 N SER A 31 2.370 6.034 6.211 1.00 0.00 N ATOM 468 CA SER A 31 3.542 6.619 5.568 1.00 0.00 C ATOM 469 C SER A 31 3.138 7.724 4.586 1.00 0.00 C ATOM 470 O SER A 31 3.810 8.750 4.504 1.00 0.00 O ATOM 471 CB SER A 31 4.366 5.538 4.861 1.00 0.00 C ATOM 472 OG SER A 31 4.752 4.530 5.771 1.00 0.00 O ATOM 0 H SER A 31 2.294 5.024 6.090 1.00 0.00 H new ATOM 0 HA SER A 31 4.162 7.070 6.343 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.782 5.100 4.051 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.251 5.986 4.409 1.00 0.00 H new ATOM 0 HG SER A 31 3.978 3.967 5.983 1.00 0.00 H new ATOM 478 N LEU A 32 2.038 7.521 3.852 1.00 0.00 N ATOM 479 CA LEU A 32 1.504 8.502 2.920 1.00 0.00 C ATOM 480 C LEU A 32 0.992 9.731 3.676 1.00 0.00 C ATOM 481 O LEU A 32 1.288 10.856 3.289 1.00 0.00 O ATOM 482 CB LEU A 32 0.399 7.869 2.058 1.00 0.00 C ATOM 483 CG LEU A 32 0.478 8.298 0.586 1.00 0.00 C ATOM 484 CD1 LEU A 32 -0.614 7.580 -0.210 1.00 0.00 C ATOM 485 CD2 LEU A 32 0.343 9.815 0.430 1.00 0.00 C ATOM 0 H LEU A 32 1.493 6.660 3.894 1.00 0.00 H new ATOM 0 HA LEU A 32 2.301 8.831 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.472 6.783 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.575 8.146 2.461 1.00 0.00 H new ATOM 0 HG LEU A 32 1.458 8.020 0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.561 7.883 -1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.469 6.502 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.591 7.843 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.404 10.079 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.618 10.138 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.147 10.310 0.975 1.00 0.00 H new ATOM 497 N LYS A 33 0.234 9.535 4.761 1.00 0.00 N ATOM 498 CA LYS A 33 -0.235 10.638 5.594 1.00 0.00 C ATOM 499 C LYS A 33 0.941 11.454 6.144 1.00 0.00 C ATOM 500 O LYS A 33 0.858 12.680 6.200 1.00 0.00 O ATOM 501 CB LYS A 33 -1.137 10.119 6.720 1.00 0.00 C ATOM 502 CG LYS A 33 -2.508 9.706 6.171 1.00 0.00 C ATOM 503 CD LYS A 33 -3.402 9.173 7.296 1.00 0.00 C ATOM 504 CE LYS A 33 -4.866 9.066 6.851 1.00 0.00 C ATOM 505 NZ LYS A 33 -5.035 8.156 5.707 1.00 0.00 N ATOM 0 H LYS A 33 -0.067 8.614 5.081 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.830 11.307 4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.664 9.267 7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.261 10.892 7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.987 10.561 5.693 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.383 8.941 5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.045 8.193 7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.331 9.832 8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.473 8.714 7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.236 10.056 6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.379 8.692 4.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.122 7.715 5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.724 7.416 5.951 1.00 0.00 H new ATOM 519 N ASP A 34 2.035 10.786 6.533 1.00 0.00 N ATOM 520 CA ASP A 34 3.246 11.444 7.005 1.00 0.00 C ATOM 521 C ASP A 34 3.904 12.250 5.879 1.00 0.00 C ATOM 522 O ASP A 34 4.272 13.404 6.093 1.00 0.00 O ATOM 523 CB ASP A 34 4.229 10.415 7.585 1.00 0.00 C ATOM 524 CG ASP A 34 3.645 9.603 8.743 1.00 0.00 C ATOM 525 OD1 ASP A 34 2.858 10.185 9.521 1.00 0.00 O ATOM 526 OD2 ASP A 34 4.003 8.409 8.832 1.00 0.00 O ATOM 0 H ASP A 34 2.098 9.768 6.527 1.00 0.00 H new ATOM 0 HA ASP A 34 2.969 12.138 7.799 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.539 9.733 6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.124 10.933 7.929 1.00 0.00 H new ATOM 531 N ASP A 35 4.049 11.644 4.692 1.00 0.00 N ATOM 532 CA ASP A 35 4.666 12.247 3.515 1.00 0.00 C ATOM 533 C ASP A 35 3.633 12.325 2.381 1.00 0.00 C ATOM 534 O ASP A 35 3.625 11.458 1.508 1.00 0.00 O ATOM 535 CB ASP A 35 5.894 11.412 3.117 1.00 0.00 C ATOM 536 CG ASP A 35 6.669 11.992 1.932 1.00 0.00 C ATOM 537 OD1 ASP A 35 6.278 13.074 1.439 1.00 0.00 O ATOM 538 OD2 ASP A 35 7.656 11.333 1.538 1.00 0.00 O ATOM 0 H ASP A 35 3.728 10.690 4.525 1.00 0.00 H new ATOM 0 HA ASP A 35 4.999 13.263 3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.563 11.332 3.974 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.571 10.401 2.870 1.00 0.00 H new ATOM 543 N PRO A 36 2.757 13.347 2.372 1.00 0.00 N ATOM 544 CA PRO A 36 1.666 13.460 1.412 1.00 0.00 C ATOM 545 C PRO A 36 2.159 13.721 -0.013 1.00 0.00 C ATOM 546 O PRO A 36 1.475 13.357 -0.966 1.00 0.00 O ATOM 547 CB PRO A 36 0.780 14.597 1.927 1.00 0.00 C ATOM 548 CG PRO A 36 1.756 15.476 2.704 1.00 0.00 C ATOM 549 CD PRO A 36 2.716 14.455 3.313 1.00 0.00 C ATOM 0 HA PRO A 36 1.114 12.523 1.340 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.310 15.143 1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.022 14.225 2.565 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.274 16.180 2.053 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.250 16.063 3.470 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.707 14.885 3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.368 14.125 4.292 1.00 0.00 H new ATOM 557 N SER A 37 3.332 14.349 -0.169 1.00 0.00 N ATOM 558 CA SER A 37 3.870 14.696 -1.476 1.00 0.00 C ATOM 559 C SER A 37 4.195 13.449 -2.306 1.00 0.00 C ATOM 560 O SER A 37 3.861 13.402 -3.489 1.00 0.00 O ATOM 561 CB SER A 37 5.085 15.618 -1.320 1.00 0.00 C ATOM 562 OG SER A 37 6.171 14.956 -0.705 1.00 0.00 O ATOM 0 H SER A 37 3.928 14.627 0.611 1.00 0.00 H new ATOM 0 HA SER A 37 3.104 15.240 -2.029 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.391 15.985 -2.300 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.807 16.489 -0.726 1.00 0.00 H new ATOM 0 HG SER A 37 5.842 14.411 0.040 1.00 0.00 H new ATOM 568 N GLN A 38 4.842 12.445 -1.698 1.00 0.00 N ATOM 569 CA GLN A 38 5.348 11.277 -2.410 1.00 0.00 C ATOM 570 C GLN A 38 4.300 10.161 -2.473 1.00 0.00 C ATOM 571 O GLN A 38 4.575 9.018 -2.107 1.00 0.00 O ATOM 572 CB GLN A 38 6.665 10.806 -1.772 1.00 0.00 C ATOM 573 CG GLN A 38 7.725 11.908 -1.652 1.00 0.00 C ATOM 574 CD GLN A 38 7.992 12.607 -2.983 1.00 0.00 C ATOM 575 OE1 GLN A 38 8.559 12.012 -3.896 1.00 0.00 O ATOM 576 NE2 GLN A 38 7.581 13.871 -3.097 1.00 0.00 N ATOM 0 H GLN A 38 5.027 12.426 -0.695 1.00 0.00 H new ATOM 0 HA GLN A 38 5.557 11.557 -3.443 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.455 10.408 -0.779 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.072 9.987 -2.365 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.398 12.644 -0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.654 11.476 -1.279 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.114 14.328 -2.314 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.734 14.380 -3.967 1.00 0.00 H new ATOM 585 N SER A 39 3.102 10.491 -2.972 1.00 0.00 N ATOM 586 CA SER A 39 2.028 9.534 -3.209 1.00 0.00 C ATOM 587 C SER A 39 2.488 8.433 -4.168 1.00 0.00 C ATOM 588 O SER A 39 2.253 7.252 -3.918 1.00 0.00 O ATOM 589 CB SER A 39 0.805 10.263 -3.779 1.00 0.00 C ATOM 590 OG SER A 39 0.404 11.299 -2.909 1.00 0.00 O ATOM 0 H SER A 39 2.854 11.448 -3.225 1.00 0.00 H new ATOM 0 HA SER A 39 1.756 9.067 -2.262 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.043 10.674 -4.760 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.015 9.558 -3.919 1.00 0.00 H new ATOM 0 HG SER A 39 -0.376 11.758 -3.285 1.00 0.00 H new ATOM 596 N ALA A 40 3.151 8.834 -5.261 1.00 0.00 N ATOM 597 CA ALA A 40 3.668 7.942 -6.288 1.00 0.00 C ATOM 598 C ALA A 40 4.660 6.929 -5.714 1.00 0.00 C ATOM 599 O ALA A 40 4.603 5.753 -6.068 1.00 0.00 O ATOM 600 CB ALA A 40 4.321 8.771 -7.396 1.00 0.00 C ATOM 0 H ALA A 40 3.344 9.817 -5.453 1.00 0.00 H new ATOM 0 HA ALA A 40 2.835 7.372 -6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.709 8.106 -8.167 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.581 9.441 -7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.139 9.358 -6.977 1.00 0.00 H new ATOM 606 N ASN A 41 5.565 7.377 -4.833 1.00 0.00 N ATOM 607 CA ASN A 41 6.556 6.509 -4.210 1.00 0.00 C ATOM 608 C ASN A 41 5.864 5.434 -3.376 1.00 0.00 C ATOM 609 O ASN A 41 6.120 4.250 -3.571 1.00 0.00 O ATOM 610 CB ASN A 41 7.514 7.331 -3.341 1.00 0.00 C ATOM 611 CG ASN A 41 8.607 6.471 -2.705 1.00 0.00 C ATOM 612 OD1 ASN A 41 9.048 5.480 -3.282 1.00 0.00 O ATOM 613 ND2 ASN A 41 9.049 6.849 -1.504 1.00 0.00 N ATOM 0 H ASN A 41 5.625 8.351 -4.537 1.00 0.00 H new ATOM 0 HA ASN A 41 7.136 6.021 -4.993 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.975 8.109 -3.949 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.948 7.834 -2.556 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.776 6.309 -1.035 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.659 7.678 -1.055 1.00 0.00 H new ATOM 620 N VAL A 42 4.984 5.850 -2.456 1.00 0.00 N ATOM 621 CA VAL A 42 4.249 4.946 -1.581 1.00 0.00 C ATOM 622 C VAL A 42 3.453 3.926 -2.401 1.00 0.00 C ATOM 623 O VAL A 42 3.491 2.736 -2.095 1.00 0.00 O ATOM 624 CB VAL A 42 3.360 5.755 -0.623 1.00 0.00 C ATOM 625 CG1 VAL A 42 2.439 4.838 0.190 1.00 0.00 C ATOM 626 CG2 VAL A 42 4.232 6.556 0.356 1.00 0.00 C ATOM 0 H VAL A 42 4.765 6.834 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 42 4.952 4.376 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 42 2.753 6.427 -1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.823 5.440 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.796 4.275 -0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.042 4.146 0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.593 7.126 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.852 5.871 0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.871 7.240 -0.202 1.00 0.00 H new ATOM 636 N LEU A 43 2.749 4.385 -3.442 1.00 0.00 N ATOM 637 CA LEU A 43 2.005 3.527 -4.355 1.00 0.00 C ATOM 638 C LEU A 43 2.932 2.502 -5.018 1.00 0.00 C ATOM 639 O LEU A 43 2.602 1.319 -5.078 1.00 0.00 O ATOM 640 CB LEU A 43 1.287 4.404 -5.391 1.00 0.00 C ATOM 641 CG LEU A 43 0.523 3.613 -6.466 1.00 0.00 C ATOM 642 CD1 LEU A 43 -0.563 2.719 -5.856 1.00 0.00 C ATOM 643 CD2 LEU A 43 -0.116 4.597 -7.451 1.00 0.00 C ATOM 0 H LEU A 43 2.683 5.376 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 43 1.257 2.960 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.587 5.060 -4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.021 5.044 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 43 1.233 2.965 -6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.078 2.178 -6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.105 2.006 -5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.279 3.336 -5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.660 4.044 -8.217 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.806 5.250 -6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.662 5.198 -7.921 1.00 0.00 H new ATOM 655 N GLY A 44 4.092 2.954 -5.511 1.00 0.00 N ATOM 656 CA GLY A 44 5.093 2.107 -6.141 1.00 0.00 C ATOM 657 C GLY A 44 5.574 1.007 -5.196 1.00 0.00 C ATOM 658 O GLY A 44 5.568 -0.166 -5.561 1.00 0.00 O ATOM 0 H GLY A 44 4.359 3.938 -5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.675 1.657 -7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.941 2.716 -6.453 1.00 0.00 H new ATOM 662 N GLU A 45 5.981 1.391 -3.981 1.00 0.00 N ATOM 663 CA GLU A 45 6.442 0.481 -2.940 1.00 0.00 C ATOM 664 C GLU A 45 5.353 -0.530 -2.577 1.00 0.00 C ATOM 665 O GLU A 45 5.644 -1.712 -2.417 1.00 0.00 O ATOM 666 CB GLU A 45 6.857 1.282 -1.701 1.00 0.00 C ATOM 667 CG GLU A 45 8.114 2.122 -1.953 1.00 0.00 C ATOM 668 CD GLU A 45 8.370 3.084 -0.797 1.00 0.00 C ATOM 669 OE1 GLU A 45 7.615 4.076 -0.703 1.00 0.00 O ATOM 670 OE2 GLU A 45 9.314 2.811 -0.025 1.00 0.00 O ATOM 0 H GLU A 45 5.997 2.369 -3.692 1.00 0.00 H new ATOM 0 HA GLU A 45 7.303 -0.071 -3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.038 1.936 -1.402 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.038 0.598 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.975 1.466 -2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.000 2.684 -2.880 1.00 0.00 H new ATOM 677 N ALA A 46 4.104 -0.068 -2.452 1.00 0.00 N ATOM 678 CA ALA A 46 2.961 -0.912 -2.143 1.00 0.00 C ATOM 679 C ALA A 46 2.746 -1.969 -3.226 1.00 0.00 C ATOM 680 O ALA A 46 2.606 -3.148 -2.909 1.00 0.00 O ATOM 681 CB ALA A 46 1.720 -0.040 -1.944 1.00 0.00 C ATOM 0 H ALA A 46 3.863 0.917 -2.565 1.00 0.00 H new ATOM 0 HA ALA A 46 3.155 -1.450 -1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.864 -0.673 -1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.891 0.654 -1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.520 0.522 -2.857 1.00 0.00 H new ATOM 687 N GLN A 47 2.733 -1.553 -4.498 1.00 0.00 N ATOM 688 CA GLN A 47 2.570 -2.455 -5.629 1.00 0.00 C ATOM 689 C GLN A 47 3.733 -3.449 -5.712 1.00 0.00 C ATOM 690 O GLN A 47 3.515 -4.625 -5.997 1.00 0.00 O ATOM 691 CB GLN A 47 2.431 -1.637 -6.922 1.00 0.00 C ATOM 692 CG GLN A 47 2.212 -2.503 -8.171 1.00 0.00 C ATOM 693 CD GLN A 47 0.942 -3.351 -8.089 1.00 0.00 C ATOM 694 OE1 GLN A 47 -0.126 -2.912 -8.508 1.00 0.00 O ATOM 695 NE2 GLN A 47 1.051 -4.569 -7.555 1.00 0.00 N ATOM 0 H GLN A 47 2.836 -0.574 -4.766 1.00 0.00 H new ATOM 0 HA GLN A 47 1.661 -3.041 -5.491 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.595 -0.945 -6.817 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.328 -1.034 -7.060 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.157 -1.859 -9.049 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.072 -3.158 -8.309 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.955 -4.899 -7.218 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.230 -5.170 -7.484 1.00 0.00 H new ATOM 704 N LYS A 48 4.962 -2.982 -5.466 1.00 0.00 N ATOM 705 CA LYS A 48 6.155 -3.815 -5.472 1.00 0.00 C ATOM 706 C LYS A 48 6.062 -4.892 -4.389 1.00 0.00 C ATOM 707 O LYS A 48 6.329 -6.061 -4.661 1.00 0.00 O ATOM 708 CB LYS A 48 7.395 -2.928 -5.295 1.00 0.00 C ATOM 709 CG LYS A 48 8.694 -3.731 -5.423 1.00 0.00 C ATOM 710 CD LYS A 48 9.904 -2.796 -5.313 1.00 0.00 C ATOM 711 CE LYS A 48 11.208 -3.589 -5.431 1.00 0.00 C ATOM 712 NZ LYS A 48 12.381 -2.706 -5.324 1.00 0.00 N ATOM 0 H LYS A 48 5.151 -2.002 -5.255 1.00 0.00 H new ATOM 0 HA LYS A 48 6.239 -4.331 -6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.383 -2.134 -6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.361 -2.446 -4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.739 -4.491 -4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.715 -4.254 -6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.859 -2.040 -6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.878 -2.268 -4.360 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.248 -4.347 -4.648 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.232 -4.115 -6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.250 -3.271 -5.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.354 -1.999 -6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.369 -2.223 -4.403 1.00 0.00 H new ATOM 726 N LEU A 49 5.680 -4.504 -3.166 1.00 0.00 N ATOM 727 CA LEU A 49 5.552 -5.429 -2.050 1.00 0.00 C ATOM 728 C LEU A 49 4.426 -6.435 -2.317 1.00 0.00 C ATOM 729 O LEU A 49 4.587 -7.623 -2.047 1.00 0.00 O ATOM 730 CB LEU A 49 5.336 -4.663 -0.737 1.00 0.00 C ATOM 731 CG LEU A 49 5.695 -5.539 0.476 1.00 0.00 C ATOM 732 CD1 LEU A 49 7.198 -5.481 0.774 1.00 0.00 C ATOM 733 CD2 LEU A 49 4.930 -5.094 1.723 1.00 0.00 C ATOM 0 H LEU A 49 5.453 -3.538 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 49 6.479 -5.993 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.948 -3.761 -0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.296 -4.343 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 49 5.414 -6.562 0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.423 -6.109 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.755 -5.840 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.487 -4.452 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.204 -5.731 2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.182 -4.059 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.858 -5.175 1.541 1.00 0.00 H new ATOM 745 N ASN A 50 3.296 -5.969 -2.863 1.00 0.00 N ATOM 746 CA ASN A 50 2.189 -6.824 -3.268 1.00 0.00 C ATOM 747 C ASN A 50 2.682 -7.888 -4.250 1.00 0.00 C ATOM 748 O ASN A 50 2.470 -9.078 -4.032 1.00 0.00 O ATOM 749 CB ASN A 50 1.073 -5.971 -3.888 1.00 0.00 C ATOM 750 CG ASN A 50 -0.150 -6.811 -4.250 1.00 0.00 C ATOM 751 OD1 ASN A 50 -1.064 -6.962 -3.443 1.00 0.00 O ATOM 752 ND2 ASN A 50 -0.175 -7.362 -5.465 1.00 0.00 N ATOM 0 H ASN A 50 3.129 -4.977 -3.035 1.00 0.00 H new ATOM 0 HA ASN A 50 1.784 -7.333 -2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.782 -5.189 -3.187 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.450 -5.474 -4.782 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.972 -7.931 -5.751 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.603 -7.214 -6.108 1.00 0.00 H new ATOM 759 N ASP A 51 3.347 -7.447 -5.324 1.00 0.00 N ATOM 760 CA ASP A 51 3.878 -8.303 -6.372 1.00 0.00 C ATOM 761 C ASP A 51 4.847 -9.345 -5.806 1.00 0.00 C ATOM 762 O ASP A 51 4.734 -10.524 -6.134 1.00 0.00 O ATOM 763 CB ASP A 51 4.550 -7.433 -7.441 1.00 0.00 C ATOM 764 CG ASP A 51 5.109 -8.279 -8.580 1.00 0.00 C ATOM 765 OD1 ASP A 51 4.301 -8.662 -9.453 1.00 0.00 O ATOM 766 OD2 ASP A 51 6.334 -8.528 -8.557 1.00 0.00 O ATOM 0 H ASP A 51 3.532 -6.457 -5.485 1.00 0.00 H new ATOM 0 HA ASP A 51 3.058 -8.856 -6.829 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.828 -6.719 -7.837 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.355 -6.854 -6.988 1.00 0.00 H new ATOM 771 N SER A 52 5.791 -8.915 -4.957 1.00 0.00 N ATOM 772 CA SER A 52 6.777 -9.800 -4.347 1.00 0.00 C ATOM 773 C SER A 52 6.118 -10.875 -3.475 1.00 0.00 C ATOM 774 O SER A 52 6.636 -11.987 -3.385 1.00 0.00 O ATOM 775 CB SER A 52 7.814 -8.989 -3.563 1.00 0.00 C ATOM 776 OG SER A 52 7.254 -8.439 -2.392 1.00 0.00 O ATOM 0 H SER A 52 5.887 -7.939 -4.677 1.00 0.00 H new ATOM 0 HA SER A 52 7.296 -10.326 -5.148 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.656 -9.629 -3.300 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.205 -8.189 -4.192 1.00 0.00 H new ATOM 0 HG SER A 52 6.306 -8.242 -2.544 1.00 0.00 H new ATOM 782 N GLN A 53 4.968 -10.562 -2.860 1.00 0.00 N ATOM 783 CA GLN A 53 4.210 -11.497 -2.040 1.00 0.00 C ATOM 784 C GLN A 53 3.233 -12.263 -2.938 1.00 0.00 C ATOM 785 O GLN A 53 2.028 -12.272 -2.701 1.00 0.00 O ATOM 786 CB GLN A 53 3.475 -10.724 -0.933 1.00 0.00 C ATOM 787 CG GLN A 53 4.443 -10.132 0.098 1.00 0.00 C ATOM 788 CD GLN A 53 3.705 -9.252 1.105 1.00 0.00 C ATOM 789 OE1 GLN A 53 3.538 -9.625 2.263 1.00 0.00 O ATOM 790 NE2 GLN A 53 3.263 -8.073 0.664 1.00 0.00 N ATOM 0 H GLN A 53 4.539 -9.639 -2.924 1.00 0.00 H new ATOM 0 HA GLN A 53 4.874 -12.217 -1.561 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.888 -9.922 -1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.774 -11.390 -0.430 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.957 -10.937 0.623 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.207 -9.545 -0.411 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.422 -7.799 -0.306 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.766 -7.445 1.297 1.00 0.00 H new ATOM 799 N ALA A 54 3.767 -12.920 -3.975 1.00 0.00 N ATOM 800 CA ALA A 54 2.988 -13.719 -4.909 1.00 0.00 C ATOM 801 C ALA A 54 2.487 -14.987 -4.203 1.00 0.00 C ATOM 802 O ALA A 54 3.313 -15.724 -3.665 1.00 0.00 O ATOM 803 CB ALA A 54 3.863 -14.088 -6.110 1.00 0.00 C ATOM 0 H ALA A 54 4.765 -12.907 -4.185 1.00 0.00 H new ATOM 0 HA ALA A 54 2.128 -13.148 -5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.283 -14.687 -6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.205 -13.179 -6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.725 -14.662 -5.770 1.00 0.00 H new ATOM 809 N PRO A 55 1.169 -15.267 -4.191 1.00 0.00 N ATOM 810 CA PRO A 55 0.605 -16.487 -3.625 1.00 0.00 C ATOM 811 C PRO A 55 1.288 -17.750 -4.156 1.00 0.00 C ATOM 812 O PRO A 55 1.649 -18.631 -3.379 1.00 0.00 O ATOM 813 CB PRO A 55 -0.885 -16.464 -3.984 1.00 0.00 C ATOM 814 CG PRO A 55 -1.187 -14.973 -4.091 1.00 0.00 C ATOM 815 CD PRO A 55 0.103 -14.411 -4.686 1.00 0.00 C ATOM 0 HA PRO A 55 0.760 -16.517 -2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.083 -16.984 -4.921 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.493 -16.945 -3.218 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.047 -14.779 -4.732 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.409 -14.534 -3.118 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.068 -14.419 -5.775 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.257 -13.376 -4.380 1.00 0.00 H new ATOM 823 N LYS A 56 1.466 -17.823 -5.480 1.00 0.00 N ATOM 824 CA LYS A 56 2.136 -18.926 -6.149 1.00 0.00 C ATOM 825 C LYS A 56 3.651 -18.725 -6.073 1.00 0.00 C ATOM 826 O LYS A 56 4.096 -17.599 -6.387 1.00 0.00 O ATOM 827 CB LYS A 56 1.665 -19.022 -7.608 1.00 0.00 C ATOM 828 CG LYS A 56 0.138 -19.068 -7.766 1.00 0.00 C ATOM 829 CD LYS A 56 -0.501 -20.237 -7.003 1.00 0.00 C ATOM 830 CE LYS A 56 -2.003 -20.352 -7.291 1.00 0.00 C ATOM 831 NZ LYS A 56 -2.716 -19.195 -6.783 1.00 0.00 N ATOM 832 OXT LYS A 56 4.338 -19.702 -5.704 1.00 0.00 O ATOM 0 H LYS A 56 1.140 -17.100 -6.121 1.00 0.00 H new ATOM 0 HA LYS A 56 1.884 -19.862 -5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.052 -18.167 -8.162 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.095 -19.916 -8.060 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.289 -18.130 -7.410 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.112 -19.150 -8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.005 -21.167 -7.281 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.345 -20.101 -5.933 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.166 -20.442 -8.365 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.397 -21.258 -6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.740 -19.347 -6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.482 -19.056 -5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.438 -18.351 -7.323 1.00 0.00 H new TER 845 LYS A 56