USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 454 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 26 GLN : amide:sc= -7.7! K(o=-20!,f=-12) USER MOD Set 1.2: A 55 GLN : amide:sc= -11.8! C(o=-20!,f=-13!) USER MOD Set 2.1: A 21 ASN : amide:sc= -2.9 K(o=-6.2,f=-2.9) USER MOD Set 2.2: A 52 ASN : amide:sc= -3.27 K(o=-6.2,f=-11!) USER MOD Set 3.1: A 1 VAL N :NH3+ -179:sc= -0.916 (180deg=-0.92) USER MOD Set 3.2: A 3 ASN : amide:sc= 0.32 K(o=-0.6,f=-5.6!) USER MOD Single : A 4 LYS NZ :NH3+ -167:sc=-0.00379 (180deg=-0.177) USER MOD Single : A 6 ASN : amide:sc= -0.275 X(o=-0.27,f=-0.24) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -0.307 (180deg=-1.06) USER MOD Single : A 13 THR OG1 : rot 95:sc= 0.794 USER MOD Single : A 18 ASN : amide:sc= -1.74 X(o=-1.7,f=-2.2) USER MOD Single : A 23 ASN : amide:sc= -2.51 K(o=-2.5,f=-0.094) USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= 0.321 (180deg=-0.247) USER MOD Single : A 33 SER OG : rot 72:sc= 0.852 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.2) USER MOD Single : A 41 SER OG : rot 180:sc= -0.029 USER MOD Single : A 43 ASN : amide:sc= -0.0263 K(o=-0.026,f=-1.4) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -114:sc= 1.04 (180deg=-0.192) USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= 2.15 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 9.153 -18.112 2.148 1.00 0.00 N ATOM 2 CA VAL A 1 7.853 -18.242 1.428 1.00 0.00 C ATOM 3 C VAL A 1 6.867 -19.013 2.301 1.00 0.00 C ATOM 4 O VAL A 1 5.691 -18.651 2.392 1.00 0.00 O ATOM 5 CB VAL A 1 8.061 -18.969 0.082 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.889 -18.085 -0.861 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.792 -20.307 0.299 1.00 0.00 C ATOM 0 H1 VAL A 1 9.822 -17.572 1.562 1.00 0.00 H new ATOM 0 H2 VAL A 1 9.003 -17.615 3.049 1.00 0.00 H new ATOM 0 H3 VAL A 1 9.542 -19.058 2.335 1.00 0.00 H new ATOM 0 HA VAL A 1 7.451 -17.250 1.224 1.00 0.00 H new ATOM 0 HB VAL A 1 7.085 -19.167 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.034 -18.601 -1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.363 -17.146 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.859 -17.879 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.930 -20.806 -0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.765 -20.121 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.199 -20.943 0.957 1.00 0.00 H new ATOM 19 N ASP A 2 7.359 -20.073 2.945 1.00 0.00 N ATOM 20 CA ASP A 2 6.530 -20.901 3.821 1.00 0.00 C ATOM 21 C ASP A 2 5.963 -20.058 4.962 1.00 0.00 C ATOM 22 O ASP A 2 4.817 -20.241 5.375 1.00 0.00 O ATOM 23 CB ASP A 2 7.373 -22.046 4.392 1.00 0.00 C ATOM 24 CG ASP A 2 7.993 -22.854 3.251 1.00 0.00 C ATOM 25 OD1 ASP A 2 7.297 -23.683 2.691 1.00 0.00 O ATOM 26 OD2 ASP A 2 9.151 -22.617 2.946 1.00 0.00 O ATOM 0 H ASP A 2 8.330 -20.378 2.876 1.00 0.00 H new ATOM 0 HA ASP A 2 5.702 -21.312 3.243 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.158 -21.646 5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.752 -22.693 5.012 1.00 0.00 H new ATOM 31 N ASN A 3 6.783 -19.127 5.447 1.00 0.00 N ATOM 32 CA ASN A 3 6.388 -18.229 6.530 1.00 0.00 C ATOM 33 C ASN A 3 5.813 -16.931 5.960 1.00 0.00 C ATOM 34 O ASN A 3 5.881 -16.688 4.753 1.00 0.00 O ATOM 35 CB ASN A 3 7.607 -17.913 7.410 1.00 0.00 C ATOM 36 CG ASN A 3 8.622 -17.062 6.640 1.00 0.00 C ATOM 37 OD1 ASN A 3 8.915 -17.338 5.474 1.00 0.00 O ATOM 38 ND2 ASN A 3 9.173 -16.035 7.225 1.00 0.00 N ATOM 0 H ASN A 3 7.731 -18.975 5.104 1.00 0.00 H new ATOM 0 HA ASN A 3 5.622 -18.718 7.132 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.287 -17.384 8.307 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.076 -18.841 7.737 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.846 -15.460 6.718 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.931 -15.807 8.189 1.00 0.00 H new ATOM 45 N LYS A 4 5.264 -16.096 6.843 1.00 0.00 N ATOM 46 CA LYS A 4 4.693 -14.816 6.428 1.00 0.00 C ATOM 47 C LYS A 4 5.803 -13.789 6.224 1.00 0.00 C ATOM 48 O LYS A 4 6.868 -13.880 6.839 1.00 0.00 O ATOM 49 CB LYS A 4 3.702 -14.306 7.482 1.00 0.00 C ATOM 50 CG LYS A 4 2.497 -15.254 7.563 1.00 0.00 C ATOM 51 CD LYS A 4 1.447 -14.678 8.524 1.00 0.00 C ATOM 52 CE LYS A 4 0.286 -15.666 8.681 1.00 0.00 C ATOM 53 NZ LYS A 4 -0.467 -15.760 7.399 1.00 0.00 N ATOM 0 H LYS A 4 5.203 -16.282 7.844 1.00 0.00 H new ATOM 0 HA LYS A 4 4.163 -14.962 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.192 -14.241 8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.369 -13.300 7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.062 -15.390 6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.818 -16.237 7.907 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.900 -14.479 9.495 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.077 -13.726 8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.666 -16.648 8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.378 -15.339 9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.370 -16.249 7.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.652 -14.804 7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.095 -16.293 6.705 1.00 0.00 H new ATOM 67 N PHE A 5 5.545 -12.828 5.340 1.00 0.00 N ATOM 68 CA PHE A 5 6.524 -11.791 5.027 1.00 0.00 C ATOM 69 C PHE A 5 6.351 -10.561 5.907 1.00 0.00 C ATOM 70 O PHE A 5 5.320 -10.381 6.560 1.00 0.00 O ATOM 71 CB PHE A 5 6.398 -11.388 3.552 1.00 0.00 C ATOM 72 CG PHE A 5 7.666 -11.778 2.830 1.00 0.00 C ATOM 73 CD1 PHE A 5 8.795 -10.955 2.911 1.00 0.00 C ATOM 74 CD2 PHE A 5 7.714 -12.967 2.093 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.974 -11.320 2.254 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.893 -13.331 1.433 1.00 0.00 C ATOM 77 CZ PHE A 5 10.023 -12.507 1.513 1.00 0.00 C ATOM 0 H PHE A 5 4.667 -12.746 4.828 1.00 0.00 H new ATOM 0 HA PHE A 5 7.514 -12.203 5.220 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.539 -11.881 3.098 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.231 -10.314 3.467 1.00 0.00 H new ATOM 0 HD1 PHE A 5 8.756 -10.038 3.481 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.843 -13.602 2.034 1.00 0.00 H new ATOM 0 HE1 PHE A 5 10.846 -10.687 2.318 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.932 -14.247 0.862 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.933 -12.787 1.003 1.00 0.00 H new ATOM 87 N ASN A 6 7.384 -9.718 5.902 1.00 0.00 N ATOM 88 CA ASN A 6 7.388 -8.479 6.674 1.00 0.00 C ATOM 89 C ASN A 6 8.014 -7.364 5.845 1.00 0.00 C ATOM 90 O ASN A 6 7.493 -6.249 5.790 1.00 0.00 O ATOM 91 CB ASN A 6 8.177 -8.656 7.967 1.00 0.00 C ATOM 92 CG ASN A 6 7.658 -9.861 8.750 1.00 0.00 C ATOM 93 OD1 ASN A 6 8.394 -10.821 8.974 1.00 0.00 O ATOM 94 ND2 ASN A 6 6.427 -9.867 9.180 1.00 0.00 N ATOM 0 H ASN A 6 8.237 -9.875 5.365 1.00 0.00 H new ATOM 0 HA ASN A 6 6.359 -8.220 6.924 1.00 0.00 H new ATOM 0 HB2 ASN A 6 9.234 -8.791 7.739 1.00 0.00 H new ATOM 0 HB3 ASN A 6 8.095 -7.756 8.576 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.073 -10.668 9.703 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.818 -9.070 8.994 1.00 0.00 H new ATOM 101 N LYS A 7 9.132 -7.687 5.187 1.00 0.00 N ATOM 102 CA LYS A 7 9.829 -6.728 4.338 1.00 0.00 C ATOM 103 C LYS A 7 8.890 -6.222 3.254 1.00 0.00 C ATOM 104 O LYS A 7 8.877 -5.039 2.918 1.00 0.00 O ATOM 105 CB LYS A 7 11.032 -7.420 3.691 1.00 0.00 C ATOM 106 CG LYS A 7 11.842 -6.418 2.859 1.00 0.00 C ATOM 107 CD LYS A 7 13.008 -7.145 2.176 1.00 0.00 C ATOM 108 CE LYS A 7 12.495 -8.025 1.022 1.00 0.00 C ATOM 109 NZ LYS A 7 11.583 -7.238 0.141 1.00 0.00 N ATOM 0 H LYS A 7 9.570 -8.607 5.229 1.00 0.00 H new ATOM 0 HA LYS A 7 10.166 -5.883 4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.666 -7.858 4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.691 -8.238 3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.203 -5.950 2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.221 -5.621 3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.724 -6.417 1.795 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.536 -7.761 2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.336 -8.403 0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.968 -8.891 1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.512 -7.701 -0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.639 -7.187 0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.961 -6.277 0.020 1.00 0.00 H new ATOM 123 N GLU A 8 8.106 -7.152 2.734 1.00 0.00 N ATOM 124 CA GLU A 8 7.133 -6.866 1.687 1.00 0.00 C ATOM 125 C GLU A 8 6.043 -5.939 2.198 1.00 0.00 C ATOM 126 O GLU A 8 5.497 -5.125 1.454 1.00 0.00 O ATOM 127 CB GLU A 8 6.524 -8.186 1.194 1.00 0.00 C ATOM 128 CG GLU A 8 7.038 -8.494 -0.218 1.00 0.00 C ATOM 129 CD GLU A 8 8.575 -8.471 -0.276 1.00 0.00 C ATOM 130 OE1 GLU A 8 9.204 -8.891 0.683 1.00 0.00 O ATOM 131 OE2 GLU A 8 9.101 -8.034 -1.286 1.00 0.00 O ATOM 0 H GLU A 8 8.125 -8.129 3.025 1.00 0.00 H new ATOM 0 HA GLU A 8 7.636 -6.364 0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.789 -8.996 1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.436 -8.117 1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.676 -9.473 -0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.635 -7.764 -0.920 1.00 0.00 H new ATOM 138 N LEU A 9 5.734 -6.076 3.471 1.00 0.00 N ATOM 139 CA LEU A 9 4.712 -5.244 4.088 1.00 0.00 C ATOM 140 C LEU A 9 5.232 -3.829 4.264 1.00 0.00 C ATOM 141 O LEU A 9 4.486 -2.867 4.100 1.00 0.00 O ATOM 142 CB LEU A 9 4.275 -5.816 5.445 1.00 0.00 C ATOM 143 CG LEU A 9 3.501 -7.126 5.237 1.00 0.00 C ATOM 144 CD1 LEU A 9 4.445 -8.208 4.700 1.00 0.00 C ATOM 145 CD2 LEU A 9 2.899 -7.587 6.570 1.00 0.00 C ATOM 0 H LEU A 9 6.171 -6.751 4.099 1.00 0.00 H new ATOM 0 HA LEU A 9 3.843 -5.230 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.149 -5.995 6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.650 -5.094 5.969 1.00 0.00 H new ATOM 0 HG LEU A 9 2.701 -6.957 4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.890 -9.135 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.866 -7.884 3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.251 -8.376 5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.350 -8.517 6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.698 -7.750 7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.220 -6.822 6.946 1.00 0.00 H new ATOM 157 N GLY A 10 6.532 -3.709 4.545 1.00 0.00 N ATOM 158 CA GLY A 10 7.153 -2.404 4.689 1.00 0.00 C ATOM 159 C GLY A 10 7.331 -1.821 3.309 1.00 0.00 C ATOM 160 O GLY A 10 7.325 -0.604 3.113 1.00 0.00 O ATOM 0 H GLY A 10 7.165 -4.498 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.531 -1.751 5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.115 -2.493 5.193 1.00 0.00 H new ATOM 164 N TRP A 11 7.495 -2.738 2.360 1.00 0.00 N ATOM 165 CA TRP A 11 7.693 -2.386 0.978 1.00 0.00 C ATOM 166 C TRP A 11 6.500 -1.622 0.425 1.00 0.00 C ATOM 167 O TRP A 11 6.644 -0.531 -0.104 1.00 0.00 O ATOM 168 CB TRP A 11 7.863 -3.678 0.173 1.00 0.00 C ATOM 169 CG TRP A 11 8.393 -3.348 -1.162 1.00 0.00 C ATOM 170 CD1 TRP A 11 9.690 -3.182 -1.424 1.00 0.00 C ATOM 171 CD2 TRP A 11 7.673 -3.139 -2.406 1.00 0.00 C ATOM 172 NE1 TRP A 11 9.829 -2.847 -2.762 1.00 0.00 N ATOM 173 CE2 TRP A 11 8.610 -2.825 -3.411 1.00 0.00 C ATOM 174 CE3 TRP A 11 6.311 -3.188 -2.755 1.00 0.00 C ATOM 175 CZ2 TRP A 11 8.215 -2.566 -4.724 1.00 0.00 C ATOM 176 CZ3 TRP A 11 5.907 -2.931 -4.074 1.00 0.00 C ATOM 177 CH2 TRP A 11 6.858 -2.621 -5.057 1.00 0.00 C ATOM 0 H TRP A 11 7.493 -3.742 2.538 1.00 0.00 H new ATOM 0 HA TRP A 11 8.575 -1.749 0.901 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.542 -4.357 0.690 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.906 -4.193 0.081 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.496 -3.290 -0.714 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.721 -2.642 -3.212 1.00 0.00 H new ATOM 0 HE3 TRP A 11 5.572 -3.425 -2.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 8.951 -2.325 -5.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 4.859 -2.972 -4.333 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.542 -2.425 -6.071 1.00 0.00 H new ATOM 188 N ALA A 12 5.318 -2.190 0.549 1.00 0.00 N ATOM 189 CA ALA A 12 4.138 -1.514 0.045 1.00 0.00 C ATOM 190 C ALA A 12 3.758 -0.300 0.882 1.00 0.00 C ATOM 191 O ALA A 12 3.189 0.654 0.372 1.00 0.00 O ATOM 192 CB ALA A 12 2.969 -2.464 -0.043 1.00 0.00 C ATOM 0 H ALA A 12 5.149 -3.097 0.984 1.00 0.00 H new ATOM 0 HA ALA A 12 4.389 -1.158 -0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.096 -1.933 -0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.217 -3.284 -0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.748 -2.862 0.947 1.00 0.00 H new ATOM 198 N THR A 13 4.023 -0.361 2.180 1.00 0.00 N ATOM 199 CA THR A 13 3.621 0.729 3.067 1.00 0.00 C ATOM 200 C THR A 13 4.239 2.041 2.645 1.00 0.00 C ATOM 201 O THR A 13 3.525 3.030 2.516 1.00 0.00 O ATOM 202 CB THR A 13 3.995 0.426 4.526 1.00 0.00 C ATOM 203 OG1 THR A 13 3.331 -0.754 4.944 1.00 0.00 O ATOM 204 CG2 THR A 13 3.573 1.596 5.433 1.00 0.00 C ATOM 0 H THR A 13 4.504 -1.135 2.638 1.00 0.00 H new ATOM 0 HA THR A 13 2.537 0.816 2.993 1.00 0.00 H new ATOM 0 HB THR A 13 5.074 0.290 4.598 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.926 -1.524 4.824 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.842 1.372 6.465 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.082 2.505 5.114 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.495 1.740 5.363 1.00 0.00 H new ATOM 212 N TRP A 14 5.543 2.042 2.403 1.00 0.00 N ATOM 213 CA TRP A 14 6.209 3.258 1.971 1.00 0.00 C ATOM 214 C TRP A 14 5.769 3.607 0.525 1.00 0.00 C ATOM 215 O TRP A 14 5.572 4.782 0.211 1.00 0.00 O ATOM 216 CB TRP A 14 7.745 3.106 2.115 1.00 0.00 C ATOM 217 CG TRP A 14 8.374 3.314 0.789 1.00 0.00 C ATOM 218 CD1 TRP A 14 8.583 4.503 0.186 1.00 0.00 C ATOM 219 CD2 TRP A 14 8.796 2.304 -0.129 1.00 0.00 C ATOM 220 NE1 TRP A 14 9.074 4.269 -1.081 1.00 0.00 N ATOM 221 CE2 TRP A 14 9.226 2.920 -1.314 1.00 0.00 C ATOM 222 CE3 TRP A 14 8.833 0.917 -0.044 1.00 0.00 C ATOM 223 CZ2 TRP A 14 9.666 2.173 -2.387 1.00 0.00 C ATOM 224 CZ3 TRP A 14 9.280 0.161 -1.118 1.00 0.00 C ATOM 225 CH2 TRP A 14 9.689 0.784 -2.291 1.00 0.00 C ATOM 0 H TRP A 14 6.150 1.228 2.497 1.00 0.00 H new ATOM 0 HA TRP A 14 5.917 4.093 2.608 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.130 3.830 2.833 1.00 0.00 H new ATOM 0 HB3 TRP A 14 7.992 2.116 2.498 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.397 5.473 0.622 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.296 5.000 -1.757 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.512 0.425 0.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.990 2.661 -3.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 9.310 -0.916 -1.042 1.00 0.00 H new ATOM 0 HH2 TRP A 14 10.025 0.191 -3.129 1.00 0.00 H new ATOM 236 N GLU A 15 5.623 2.584 -0.352 1.00 0.00 N ATOM 237 CA GLU A 15 5.223 2.820 -1.745 1.00 0.00 C ATOM 238 C GLU A 15 3.887 3.549 -1.824 1.00 0.00 C ATOM 239 O GLU A 15 3.734 4.531 -2.552 1.00 0.00 O ATOM 240 CB GLU A 15 5.030 1.460 -2.419 1.00 0.00 C ATOM 241 CG GLU A 15 6.361 0.758 -2.652 1.00 0.00 C ATOM 242 CD GLU A 15 7.009 1.218 -3.963 1.00 0.00 C ATOM 243 OE1 GLU A 15 7.116 2.416 -4.172 1.00 0.00 O ATOM 244 OE2 GLU A 15 7.406 0.362 -4.734 1.00 0.00 O ATOM 0 H GLU A 15 5.776 1.603 -0.116 1.00 0.00 H new ATOM 0 HA GLU A 15 5.993 3.422 -2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.391 0.833 -1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.517 1.594 -3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.034 0.963 -1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.206 -0.321 -2.679 1.00 0.00 H new ATOM 251 N ILE A 16 2.945 3.054 -1.057 1.00 0.00 N ATOM 252 CA ILE A 16 1.605 3.617 -0.984 1.00 0.00 C ATOM 253 C ILE A 16 1.674 4.982 -0.335 1.00 0.00 C ATOM 254 O ILE A 16 1.063 5.942 -0.791 1.00 0.00 O ATOM 255 CB ILE A 16 0.777 2.615 -0.180 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.788 1.319 -0.998 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.670 3.098 0.065 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.099 0.214 -0.223 1.00 0.00 C ATOM 0 H ILE A 16 3.082 2.240 -0.457 1.00 0.00 H new ATOM 0 HA ILE A 16 1.146 3.768 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 16 1.204 2.480 0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.283 1.476 -1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.814 1.031 -1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.212 2.347 0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.651 4.036 0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.169 3.252 -0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.111 -0.704 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.623 0.049 0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.932 0.501 -0.019 1.00 0.00 H new ATOM 270 N PHE A 17 2.466 5.054 0.713 1.00 0.00 N ATOM 271 CA PHE A 17 2.675 6.308 1.431 1.00 0.00 C ATOM 272 C PHE A 17 3.357 7.360 0.550 1.00 0.00 C ATOM 273 O PHE A 17 3.312 8.553 0.858 1.00 0.00 O ATOM 274 CB PHE A 17 3.554 6.053 2.656 1.00 0.00 C ATOM 275 CG PHE A 17 2.738 6.022 3.934 1.00 0.00 C ATOM 276 CD1 PHE A 17 1.677 6.924 4.143 1.00 0.00 C ATOM 277 CD2 PHE A 17 3.058 5.083 4.920 1.00 0.00 C ATOM 278 CE1 PHE A 17 0.947 6.870 5.337 1.00 0.00 C ATOM 279 CE2 PHE A 17 2.332 5.037 6.111 1.00 0.00 C ATOM 280 CZ PHE A 17 1.276 5.930 6.322 1.00 0.00 C ATOM 0 H PHE A 17 2.981 4.260 1.093 1.00 0.00 H new ATOM 0 HA PHE A 17 1.697 6.686 1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.079 5.105 2.536 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.313 6.832 2.728 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.428 7.653 3.387 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.871 4.390 4.759 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.128 7.555 5.499 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.585 4.312 6.870 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.715 5.895 7.244 1.00 0.00 H new ATOM 290 N ASN A 18 3.991 6.913 -0.535 1.00 0.00 N ATOM 291 CA ASN A 18 4.689 7.824 -1.444 1.00 0.00 C ATOM 292 C ASN A 18 3.732 8.388 -2.484 1.00 0.00 C ATOM 293 O ASN A 18 4.157 8.932 -3.507 1.00 0.00 O ATOM 294 CB ASN A 18 5.860 7.097 -2.126 1.00 0.00 C ATOM 295 CG ASN A 18 7.086 7.087 -1.213 1.00 0.00 C ATOM 296 OD1 ASN A 18 8.206 6.903 -1.685 1.00 0.00 O ATOM 297 ND2 ASN A 18 6.942 7.275 0.072 1.00 0.00 N ATOM 0 H ASN A 18 4.036 5.930 -0.805 1.00 0.00 H new ATOM 0 HA ASN A 18 5.085 8.657 -0.862 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.570 6.074 -2.367 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.104 7.590 -3.067 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.759 7.269 0.683 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.013 7.428 0.464 1.00 0.00 H new ATOM 304 N LEU A 19 2.434 8.274 -2.206 1.00 0.00 N ATOM 305 CA LEU A 19 1.427 8.786 -3.107 1.00 0.00 C ATOM 306 C LEU A 19 1.130 10.227 -2.759 1.00 0.00 C ATOM 307 O LEU A 19 0.861 10.539 -1.595 1.00 0.00 O ATOM 308 CB LEU A 19 0.160 7.951 -3.015 1.00 0.00 C ATOM 309 CG LEU A 19 0.362 6.602 -3.719 1.00 0.00 C ATOM 310 CD1 LEU A 19 -0.980 5.935 -3.954 1.00 0.00 C ATOM 311 CD2 LEU A 19 1.047 6.796 -5.065 1.00 0.00 C ATOM 0 H LEU A 19 2.065 7.831 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 19 1.800 8.731 -4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.102 7.788 -1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.672 8.487 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 19 0.986 5.978 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.828 4.978 -4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.477 5.770 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.601 6.577 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.181 5.828 -5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.431 7.435 -5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.020 7.264 -4.914 1.00 0.00 H new ATOM 323 N PRO A 20 1.217 11.119 -3.713 1.00 0.00 N ATOM 324 CA PRO A 20 1.001 12.549 -3.446 1.00 0.00 C ATOM 325 C PRO A 20 -0.456 12.966 -3.206 1.00 0.00 C ATOM 326 O PRO A 20 -0.709 14.163 -3.053 1.00 0.00 O ATOM 327 CB PRO A 20 1.565 13.275 -4.681 1.00 0.00 C ATOM 328 CG PRO A 20 2.079 12.224 -5.612 1.00 0.00 C ATOM 329 CD PRO A 20 1.533 10.883 -5.132 1.00 0.00 C ATOM 0 HA PRO A 20 1.495 12.808 -2.510 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.791 13.872 -5.164 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.363 13.959 -4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.757 12.426 -6.634 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.169 12.215 -5.617 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.648 10.587 -5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.267 10.086 -5.251 1.00 0.00 H new ATOM 337 N ASN A 21 -1.422 12.025 -3.193 1.00 0.00 N ATOM 338 CA ASN A 21 -2.812 12.429 -2.999 1.00 0.00 C ATOM 339 C ASN A 21 -3.505 11.601 -1.918 1.00 0.00 C ATOM 340 O ASN A 21 -4.682 11.828 -1.628 1.00 0.00 O ATOM 341 CB ASN A 21 -3.565 12.313 -4.329 1.00 0.00 C ATOM 342 CG ASN A 21 -2.799 13.017 -5.450 1.00 0.00 C ATOM 343 OD1 ASN A 21 -2.383 14.164 -5.300 1.00 0.00 O ATOM 344 ND2 ASN A 21 -2.594 12.393 -6.576 1.00 0.00 N ATOM 0 H ASN A 21 -1.268 11.024 -3.310 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.820 13.465 -2.660 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.705 11.262 -4.582 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.558 12.752 -4.229 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.089 12.856 -7.331 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.939 11.441 -6.702 1.00 0.00 H new ATOM 351 N LEU A 22 -2.785 10.653 -1.309 1.00 0.00 N ATOM 352 CA LEU A 22 -3.374 9.831 -0.258 1.00 0.00 C ATOM 353 C LEU A 22 -3.520 10.582 1.052 1.00 0.00 C ATOM 354 O LEU A 22 -2.884 11.609 1.290 1.00 0.00 O ATOM 355 CB LEU A 22 -2.508 8.618 0.052 1.00 0.00 C ATOM 356 CG LEU A 22 -2.538 7.585 -1.069 1.00 0.00 C ATOM 357 CD1 LEU A 22 -1.756 6.339 -0.619 1.00 0.00 C ATOM 358 CD2 LEU A 22 -3.978 7.184 -1.367 1.00 0.00 C ATOM 0 H LEU A 22 -1.811 10.441 -1.524 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.351 9.539 -0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.480 8.941 0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.851 8.156 0.978 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.089 8.011 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.771 5.593 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.725 6.616 -0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.217 5.924 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.992 6.446 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.429 6.756 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.545 8.063 -1.674 1.00 0.00 H new ATOM 370 N ASN A 23 -4.328 9.981 1.915 1.00 0.00 N ATOM 371 CA ASN A 23 -4.565 10.466 3.254 1.00 0.00 C ATOM 372 C ASN A 23 -4.171 9.343 4.206 1.00 0.00 C ATOM 373 O ASN A 23 -4.251 8.168 3.835 1.00 0.00 O ATOM 374 CB ASN A 23 -6.044 10.819 3.426 1.00 0.00 C ATOM 375 CG ASN A 23 -6.289 11.427 4.801 1.00 0.00 C ATOM 376 OD1 ASN A 23 -5.791 12.509 5.106 1.00 0.00 O ATOM 377 ND2 ASN A 23 -7.030 10.782 5.653 1.00 0.00 N ATOM 0 H ASN A 23 -4.843 9.129 1.693 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.984 11.366 3.457 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.349 11.522 2.651 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.655 9.924 3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.200 11.173 6.579 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.441 9.885 5.395 1.00 0.00 H new ATOM 384 N GLY A 24 -3.735 9.692 5.413 1.00 0.00 N ATOM 385 CA GLY A 24 -3.323 8.690 6.396 1.00 0.00 C ATOM 386 C GLY A 24 -4.346 7.559 6.497 1.00 0.00 C ATOM 387 O GLY A 24 -3.992 6.425 6.800 1.00 0.00 O ATOM 0 H GLY A 24 -3.657 10.657 5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.352 8.281 6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.202 9.162 7.371 1.00 0.00 H new ATOM 391 N VAL A 25 -5.613 7.881 6.221 1.00 0.00 N ATOM 392 CA VAL A 25 -6.685 6.891 6.267 1.00 0.00 C ATOM 393 C VAL A 25 -6.585 5.924 5.089 1.00 0.00 C ATOM 394 O VAL A 25 -6.678 4.710 5.269 1.00 0.00 O ATOM 395 CB VAL A 25 -8.042 7.603 6.236 1.00 0.00 C ATOM 396 CG1 VAL A 25 -9.170 6.561 6.207 1.00 0.00 C ATOM 397 CG2 VAL A 25 -8.186 8.469 7.495 1.00 0.00 C ATOM 0 H VAL A 25 -5.918 8.820 5.964 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.589 6.319 7.190 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.104 8.230 5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.134 7.069 6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.067 5.938 5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.110 5.935 7.097 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.150 8.978 7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.125 7.836 8.381 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.386 9.208 7.521 1.00 0.00 H new ATOM 407 N GLN A 26 -6.410 6.476 3.883 1.00 0.00 N ATOM 408 CA GLN A 26 -6.317 5.672 2.677 1.00 0.00 C ATOM 409 C GLN A 26 -5.059 4.840 2.673 1.00 0.00 C ATOM 410 O GLN A 26 -5.108 3.644 2.389 1.00 0.00 O ATOM 411 CB GLN A 26 -6.343 6.607 1.476 1.00 0.00 C ATOM 412 CG GLN A 26 -7.715 7.288 1.429 1.00 0.00 C ATOM 413 CD GLN A 26 -7.580 8.788 1.166 1.00 0.00 C ATOM 414 OE1 GLN A 26 -8.429 9.569 1.595 1.00 0.00 O ATOM 415 NE2 GLN A 26 -6.570 9.242 0.485 1.00 0.00 N ATOM 0 H GLN A 26 -6.331 7.481 3.725 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.160 4.982 2.634 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.551 7.352 1.557 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.163 6.050 0.557 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.323 6.833 0.647 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.236 7.127 2.373 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.865 8.598 0.128 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.483 10.243 0.308 1.00 0.00 H new ATOM 424 N VAL A 27 -3.937 5.466 3.011 1.00 0.00 N ATOM 425 CA VAL A 27 -2.684 4.738 3.050 1.00 0.00 C ATOM 426 C VAL A 27 -2.806 3.604 4.043 1.00 0.00 C ATOM 427 O VAL A 27 -2.551 2.459 3.711 1.00 0.00 O ATOM 428 CB VAL A 27 -1.537 5.654 3.485 1.00 0.00 C ATOM 429 CG1 VAL A 27 -0.234 4.850 3.447 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.442 6.854 2.539 1.00 0.00 C ATOM 0 H VAL A 27 -3.873 6.454 3.256 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.470 4.355 2.052 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.715 6.024 4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.596 5.487 3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.310 4.001 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.058 4.489 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.624 7.502 2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.257 6.503 1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.378 7.413 2.565 1.00 0.00 H new ATOM 440 N LYS A 28 -3.250 3.951 5.247 1.00 0.00 N ATOM 441 CA LYS A 28 -3.448 2.984 6.319 1.00 0.00 C ATOM 442 C LYS A 28 -4.363 1.879 5.847 1.00 0.00 C ATOM 443 O LYS A 28 -4.172 0.733 6.206 1.00 0.00 O ATOM 444 CB LYS A 28 -4.048 3.654 7.558 1.00 0.00 C ATOM 445 CG LYS A 28 -4.133 2.619 8.683 1.00 0.00 C ATOM 446 CD LYS A 28 -4.734 3.244 9.940 1.00 0.00 C ATOM 447 CE LYS A 28 -4.649 2.231 11.080 1.00 0.00 C ATOM 448 NZ LYS A 28 -5.598 1.110 10.821 1.00 0.00 N ATOM 0 H LYS A 28 -3.482 4.910 5.506 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.477 2.568 6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.432 4.498 7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.039 4.049 7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.743 1.774 8.363 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.139 2.230 8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.196 4.155 10.203 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.772 3.527 9.762 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.632 1.848 11.165 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.889 2.713 12.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.837 0.643 11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.464 1.483 10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.155 0.421 10.180 1.00 0.00 H new ATOM 462 N ALA A 29 -5.341 2.231 5.023 1.00 0.00 N ATOM 463 CA ALA A 29 -6.258 1.246 4.489 1.00 0.00 C ATOM 464 C ALA A 29 -5.480 0.256 3.638 1.00 0.00 C ATOM 465 O ALA A 29 -5.692 -0.955 3.719 1.00 0.00 O ATOM 466 CB ALA A 29 -7.321 1.936 3.641 1.00 0.00 C ATOM 0 H ALA A 29 -5.515 3.187 4.714 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.749 0.719 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.008 1.190 3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.873 2.646 4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.842 2.466 2.818 1.00 0.00 H new ATOM 472 N PHE A 30 -4.552 0.785 2.839 1.00 0.00 N ATOM 473 CA PHE A 30 -3.725 -0.034 2.010 1.00 0.00 C ATOM 474 C PHE A 30 -2.699 -0.736 2.885 1.00 0.00 C ATOM 475 O PHE A 30 -2.402 -1.914 2.679 1.00 0.00 O ATOM 476 CB PHE A 30 -3.100 0.829 0.921 1.00 0.00 C ATOM 477 CG PHE A 30 -4.216 1.492 0.133 1.00 0.00 C ATOM 478 CD1 PHE A 30 -5.274 0.713 -0.364 1.00 0.00 C ATOM 479 CD2 PHE A 30 -4.218 2.878 -0.080 1.00 0.00 C ATOM 480 CE1 PHE A 30 -6.315 1.316 -1.061 1.00 0.00 C ATOM 481 CE2 PHE A 30 -5.264 3.472 -0.775 1.00 0.00 C ATOM 482 CZ PHE A 30 -6.312 2.691 -1.265 1.00 0.00 C ATOM 0 H PHE A 30 -4.368 1.785 2.762 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.304 -0.808 1.506 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.448 1.583 1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.482 0.219 0.262 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.279 -0.355 -0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.407 3.483 0.296 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.127 0.716 -1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.266 4.540 -0.936 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.123 3.157 -1.805 1.00 0.00 H new ATOM 492 N ILE A 31 -2.208 -0.018 3.908 1.00 0.00 N ATOM 493 CA ILE A 31 -1.270 -0.601 4.856 1.00 0.00 C ATOM 494 C ILE A 31 -2.001 -1.722 5.604 1.00 0.00 C ATOM 495 O ILE A 31 -1.408 -2.738 5.967 1.00 0.00 O ATOM 496 CB ILE A 31 -0.737 0.424 5.901 1.00 0.00 C ATOM 497 CG1 ILE A 31 -0.230 1.759 5.280 1.00 0.00 C ATOM 498 CG2 ILE A 31 0.429 -0.215 6.662 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.318 1.580 3.868 1.00 0.00 C ATOM 0 H ILE A 31 -2.447 0.956 4.091 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.408 -0.963 4.295 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.579 0.670 6.549 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.048 2.479 5.259 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.548 2.179 5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.814 0.491 7.398 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.083 -1.115 7.169 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.222 -0.476 5.961 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.657 2.542 3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.155 0.882 3.888 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.466 1.187 3.221 1.00 0.00 H new ATOM 511 N ASP A 32 -3.308 -1.515 5.833 1.00 0.00 N ATOM 512 CA ASP A 32 -4.124 -2.502 6.532 1.00 0.00 C ATOM 513 C ASP A 32 -4.265 -3.763 5.686 1.00 0.00 C ATOM 514 O ASP A 32 -4.168 -4.881 6.194 1.00 0.00 O ATOM 515 CB ASP A 32 -5.519 -1.927 6.859 1.00 0.00 C ATOM 516 CG ASP A 32 -5.452 -0.874 7.979 1.00 0.00 C ATOM 517 OD1 ASP A 32 -4.468 -0.839 8.706 1.00 0.00 O ATOM 518 OD2 ASP A 32 -6.399 -0.115 8.096 1.00 0.00 O ATOM 0 H ASP A 32 -3.813 -0.677 5.544 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.627 -2.755 7.468 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.947 -1.478 5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.185 -2.736 7.159 1.00 0.00 H new ATOM 523 N SER A 33 -4.479 -3.560 4.388 1.00 0.00 N ATOM 524 CA SER A 33 -4.624 -4.668 3.447 1.00 0.00 C ATOM 525 C SER A 33 -3.344 -5.503 3.388 1.00 0.00 C ATOM 526 O SER A 33 -3.389 -6.705 3.119 1.00 0.00 O ATOM 527 CB SER A 33 -4.950 -4.122 2.057 1.00 0.00 C ATOM 528 OG SER A 33 -6.062 -3.241 2.143 1.00 0.00 O ATOM 0 H SER A 33 -4.556 -2.636 3.963 1.00 0.00 H new ATOM 0 HA SER A 33 -5.437 -5.309 3.789 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.087 -3.596 1.649 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.174 -4.943 1.376 1.00 0.00 H new ATOM 0 HG SER A 33 -5.786 -2.407 2.578 1.00 0.00 H new ATOM 534 N LEU A 34 -2.206 -4.846 3.626 1.00 0.00 N ATOM 535 CA LEU A 34 -0.902 -5.517 3.588 1.00 0.00 C ATOM 536 C LEU A 34 -0.857 -6.689 4.570 1.00 0.00 C ATOM 537 O LEU A 34 -0.417 -7.786 4.226 1.00 0.00 O ATOM 538 CB LEU A 34 0.210 -4.514 3.996 1.00 0.00 C ATOM 539 CG LEU A 34 1.214 -4.245 2.870 1.00 0.00 C ATOM 540 CD1 LEU A 34 1.568 -5.539 2.130 1.00 0.00 C ATOM 541 CD2 LEU A 34 0.597 -3.215 1.924 1.00 0.00 C ATOM 0 H LEU A 34 -2.160 -3.851 3.847 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.746 -5.885 2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.250 -3.573 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.742 -4.903 4.865 1.00 0.00 H new ATOM 0 HG LEU A 34 2.145 -3.856 3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.282 -5.320 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.009 -6.249 2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.665 -5.969 1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.292 -3.005 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.333 -3.609 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.391 -2.296 2.472 1.00 0.00 H new ATOM 553 N ARG A 35 -1.303 -6.434 5.796 1.00 0.00 N ATOM 554 CA ARG A 35 -1.306 -7.461 6.848 1.00 0.00 C ATOM 555 C ARG A 35 -2.267 -8.582 6.489 1.00 0.00 C ATOM 556 O ARG A 35 -1.966 -9.765 6.655 1.00 0.00 O ATOM 557 CB ARG A 35 -1.790 -6.865 8.172 1.00 0.00 C ATOM 558 CG ARG A 35 -1.107 -5.524 8.469 1.00 0.00 C ATOM 559 CD ARG A 35 -2.005 -4.728 9.413 1.00 0.00 C ATOM 560 NE ARG A 35 -3.308 -4.512 8.791 1.00 0.00 N ATOM 561 CZ ARG A 35 -4.398 -4.279 9.510 1.00 0.00 C ATOM 562 NH1 ARG A 35 -4.444 -3.255 10.316 1.00 0.00 N ATOM 563 NH2 ARG A 35 -5.429 -5.067 9.399 1.00 0.00 N ATOM 0 H ARG A 35 -1.668 -5.528 6.091 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.287 -7.838 6.941 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.870 -6.724 8.135 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.587 -7.565 8.983 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.130 -5.688 8.923 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.941 -4.970 7.545 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.125 -5.265 10.354 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.541 -3.770 9.649 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.382 -4.541 7.774 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.641 -2.631 10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.283 -3.078 10.868 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.397 -5.861 8.760 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.268 -4.890 9.951 1.00 0.00 H new ATOM 577 N ASP A 36 -3.435 -8.170 6.007 1.00 0.00 N ATOM 578 CA ASP A 36 -4.494 -9.097 5.620 1.00 0.00 C ATOM 579 C ASP A 36 -4.011 -10.019 4.514 1.00 0.00 C ATOM 580 O ASP A 36 -4.341 -11.207 4.483 1.00 0.00 O ATOM 581 CB ASP A 36 -5.727 -8.308 5.151 1.00 0.00 C ATOM 582 CG ASP A 36 -6.372 -7.546 6.321 1.00 0.00 C ATOM 583 OD1 ASP A 36 -5.646 -7.033 7.162 1.00 0.00 O ATOM 584 OD2 ASP A 36 -7.589 -7.473 6.348 1.00 0.00 O ATOM 0 H ASP A 36 -3.674 -7.187 5.874 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.765 -9.705 6.483 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.438 -7.605 4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.455 -8.991 4.712 1.00 0.00 H new ATOM 589 N ASP A 37 -3.207 -9.455 3.630 1.00 0.00 N ATOM 590 CA ASP A 37 -2.631 -10.200 2.523 1.00 0.00 C ATOM 591 C ASP A 37 -1.425 -9.449 1.972 1.00 0.00 C ATOM 592 O ASP A 37 -1.564 -8.515 1.176 1.00 0.00 O ATOM 593 CB ASP A 37 -3.676 -10.443 1.423 1.00 0.00 C ATOM 594 CG ASP A 37 -3.251 -11.604 0.508 1.00 0.00 C ATOM 595 OD1 ASP A 37 -2.056 -11.792 0.312 1.00 0.00 O ATOM 596 OD2 ASP A 37 -4.130 -12.282 0.007 1.00 0.00 O ATOM 0 H ASP A 37 -2.936 -8.472 3.658 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.303 -11.174 2.886 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.642 -10.667 1.876 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.804 -9.537 0.831 1.00 0.00 H new ATOM 601 N PRO A 38 -0.247 -9.832 2.403 1.00 0.00 N ATOM 602 CA PRO A 38 1.019 -9.185 1.976 1.00 0.00 C ATOM 603 C PRO A 38 1.409 -9.502 0.537 1.00 0.00 C ATOM 604 O PRO A 38 2.208 -8.783 -0.064 1.00 0.00 O ATOM 605 CB PRO A 38 2.065 -9.709 2.961 1.00 0.00 C ATOM 606 CG PRO A 38 1.372 -10.617 3.923 1.00 0.00 C ATOM 607 CD PRO A 38 0.004 -10.933 3.347 1.00 0.00 C ATOM 0 HA PRO A 38 0.923 -8.099 1.990 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.854 -10.244 2.432 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.539 -8.882 3.490 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.947 -11.531 4.069 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.277 -10.141 4.899 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.004 -11.900 2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.758 -10.973 4.126 1.00 0.00 H new ATOM 615 N SER A 39 0.841 -10.570 -0.011 1.00 0.00 N ATOM 616 CA SER A 39 1.134 -10.965 -1.384 1.00 0.00 C ATOM 617 C SER A 39 0.585 -9.925 -2.354 1.00 0.00 C ATOM 618 O SER A 39 1.049 -9.807 -3.490 1.00 0.00 O ATOM 619 CB SER A 39 0.504 -12.328 -1.684 1.00 0.00 C ATOM 620 OG SER A 39 0.825 -13.236 -0.636 1.00 0.00 O ATOM 0 H SER A 39 0.178 -11.176 0.472 1.00 0.00 H new ATOM 0 HA SER A 39 2.215 -11.035 -1.505 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.578 -12.229 -1.776 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.872 -12.710 -2.637 1.00 0.00 H new ATOM 0 HG SER A 39 0.422 -14.109 -0.825 1.00 0.00 H new ATOM 626 N GLN A 40 -0.437 -9.205 -1.895 1.00 0.00 N ATOM 627 CA GLN A 40 -1.103 -8.201 -2.710 1.00 0.00 C ATOM 628 C GLN A 40 -0.481 -6.825 -2.579 1.00 0.00 C ATOM 629 O GLN A 40 -1.010 -5.892 -3.147 1.00 0.00 O ATOM 630 CB GLN A 40 -2.582 -8.099 -2.311 1.00 0.00 C ATOM 631 CG GLN A 40 -3.091 -9.469 -1.877 1.00 0.00 C ATOM 632 CD GLN A 40 -4.611 -9.480 -1.790 1.00 0.00 C ATOM 633 OE1 GLN A 40 -5.216 -8.568 -1.226 1.00 0.00 O ATOM 634 NE2 GLN A 40 -5.262 -10.472 -2.318 1.00 0.00 N ATOM 0 H GLN A 40 -0.821 -9.303 -0.955 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.994 -8.525 -3.745 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.701 -7.382 -1.499 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.171 -7.730 -3.151 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.758 -10.227 -2.586 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.665 -9.730 -0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.755 -11.224 -2.784 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.280 -10.499 -2.267 1.00 0.00 H new ATOM 643 N SER A 41 0.619 -6.691 -1.835 1.00 0.00 N ATOM 644 CA SER A 41 1.240 -5.384 -1.616 1.00 0.00 C ATOM 645 C SER A 41 1.234 -4.519 -2.881 1.00 0.00 C ATOM 646 O SER A 41 0.969 -3.324 -2.800 1.00 0.00 O ATOM 647 CB SER A 41 2.684 -5.599 -1.118 1.00 0.00 C ATOM 648 OG SER A 41 3.621 -5.284 -2.145 1.00 0.00 O ATOM 0 H SER A 41 1.096 -7.467 -1.376 1.00 0.00 H new ATOM 0 HA SER A 41 0.657 -4.847 -0.868 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.870 -4.974 -0.244 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.816 -6.634 -0.803 1.00 0.00 H new ATOM 0 HG SER A 41 4.532 -5.424 -1.811 1.00 0.00 H new ATOM 654 N ALA A 42 1.480 -5.127 -4.037 1.00 0.00 N ATOM 655 CA ALA A 42 1.470 -4.396 -5.299 1.00 0.00 C ATOM 656 C ALA A 42 0.050 -3.972 -5.686 1.00 0.00 C ATOM 657 O ALA A 42 -0.158 -2.918 -6.285 1.00 0.00 O ATOM 658 CB ALA A 42 2.059 -5.269 -6.397 1.00 0.00 C ATOM 0 H ALA A 42 1.688 -6.122 -4.126 1.00 0.00 H new ATOM 0 HA ALA A 42 2.072 -3.495 -5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.051 -4.722 -7.340 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.084 -5.535 -6.140 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.464 -6.176 -6.499 1.00 0.00 H new ATOM 664 N ASN A 43 -0.915 -4.809 -5.329 1.00 0.00 N ATOM 665 CA ASN A 43 -2.316 -4.550 -5.600 1.00 0.00 C ATOM 666 C ASN A 43 -2.804 -3.426 -4.700 1.00 0.00 C ATOM 667 O ASN A 43 -3.585 -2.579 -5.094 1.00 0.00 O ATOM 668 CB ASN A 43 -3.127 -5.815 -5.350 1.00 0.00 C ATOM 669 CG ASN A 43 -4.481 -5.752 -6.055 1.00 0.00 C ATOM 670 OD1 ASN A 43 -4.943 -4.680 -6.450 1.00 0.00 O ATOM 671 ND2 ASN A 43 -5.146 -6.855 -6.239 1.00 0.00 N ATOM 0 H ASN A 43 -0.744 -5.689 -4.842 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.440 -4.252 -6.641 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.570 -6.683 -5.703 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.278 -5.948 -4.279 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.050 -6.833 -6.710 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.763 -7.742 -5.912 1.00 0.00 H new ATOM 678 N LEU A 44 -2.292 -3.448 -3.483 1.00 0.00 N ATOM 679 CA LEU A 44 -2.594 -2.456 -2.468 1.00 0.00 C ATOM 680 C LEU A 44 -2.042 -1.155 -2.964 1.00 0.00 C ATOM 681 O LEU A 44 -2.664 -0.107 -2.848 1.00 0.00 O ATOM 682 CB LEU A 44 -1.972 -2.924 -1.145 1.00 0.00 C ATOM 683 CG LEU A 44 -2.416 -4.380 -0.943 1.00 0.00 C ATOM 684 CD1 LEU A 44 -1.903 -4.982 0.345 1.00 0.00 C ATOM 685 CD2 LEU A 44 -3.924 -4.455 -0.995 1.00 0.00 C ATOM 0 H LEU A 44 -1.643 -4.169 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.661 -2.326 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.885 -2.852 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.306 -2.299 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.981 -4.969 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.251 -6.012 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.813 -4.966 0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.275 -4.403 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.242 -5.488 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.347 -3.833 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.273 -4.099 -1.964 1.00 0.00 H new ATOM 697 N LEU A 45 -0.898 -1.289 -3.611 1.00 0.00 N ATOM 698 CA LEU A 45 -0.243 -0.181 -4.265 1.00 0.00 C ATOM 699 C LEU A 45 -1.146 0.306 -5.375 1.00 0.00 C ATOM 700 O LEU A 45 -1.334 1.497 -5.579 1.00 0.00 O ATOM 701 CB LEU A 45 1.039 -0.680 -4.938 1.00 0.00 C ATOM 702 CG LEU A 45 2.287 -0.143 -4.297 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.191 1.378 -4.099 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.427 -0.917 -3.000 1.00 0.00 C ATOM 0 H LEU A 45 -0.399 -2.175 -3.695 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.026 0.599 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.060 -1.769 -4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.026 -0.394 -5.990 1.00 0.00 H new ATOM 0 HG LEU A 45 3.175 -0.278 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.107 1.743 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.057 1.863 -5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.341 1.608 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.319 -0.582 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.549 -0.745 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.514 -1.981 -3.219 1.00 0.00 H new ATOM 716 N ALA A 46 -1.685 -0.680 -6.087 1.00 0.00 N ATOM 717 CA ALA A 46 -2.569 -0.443 -7.216 1.00 0.00 C ATOM 718 C ALA A 46 -3.794 0.296 -6.745 1.00 0.00 C ATOM 719 O ALA A 46 -4.211 1.297 -7.326 1.00 0.00 O ATOM 720 CB ALA A 46 -2.999 -1.784 -7.808 1.00 0.00 C ATOM 0 H ALA A 46 -1.518 -1.668 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.047 0.147 -7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.662 -1.612 -8.655 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.119 -2.333 -8.142 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.523 -2.365 -7.049 1.00 0.00 H new ATOM 726 N GLU A 47 -4.325 -0.210 -5.650 1.00 0.00 N ATOM 727 CA GLU A 47 -5.468 0.360 -5.006 1.00 0.00 C ATOM 728 C GLU A 47 -5.105 1.734 -4.485 1.00 0.00 C ATOM 729 O GLU A 47 -5.931 2.641 -4.416 1.00 0.00 O ATOM 730 CB GLU A 47 -5.813 -0.544 -3.849 1.00 0.00 C ATOM 731 CG GLU A 47 -6.497 -1.827 -4.339 1.00 0.00 C ATOM 732 CD GLU A 47 -7.872 -1.502 -4.925 1.00 0.00 C ATOM 733 OE1 GLU A 47 -8.726 -1.064 -4.170 1.00 0.00 O ATOM 734 OE2 GLU A 47 -8.048 -1.680 -6.119 1.00 0.00 O ATOM 0 H GLU A 47 -3.961 -1.041 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.309 0.454 -5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.907 -0.798 -3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.470 -0.019 -3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.878 -2.313 -5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.603 -2.530 -3.513 1.00 0.00 H new ATOM 741 N ALA A 48 -3.842 1.862 -4.120 1.00 0.00 N ATOM 742 CA ALA A 48 -3.326 3.108 -3.609 1.00 0.00 C ATOM 743 C ALA A 48 -3.246 4.120 -4.728 1.00 0.00 C ATOM 744 O ALA A 48 -3.694 5.255 -4.578 1.00 0.00 O ATOM 745 CB ALA A 48 -1.936 2.894 -3.033 1.00 0.00 C ATOM 0 H ALA A 48 -3.155 1.110 -4.171 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.992 3.474 -2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.552 3.839 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.986 2.166 -2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.272 2.523 -3.814 1.00 0.00 H new ATOM 751 N LYS A 49 -2.712 3.679 -5.869 1.00 0.00 N ATOM 752 CA LYS A 49 -2.623 4.546 -7.035 1.00 0.00 C ATOM 753 C LYS A 49 -4.028 4.905 -7.447 1.00 0.00 C ATOM 754 O LYS A 49 -4.301 6.008 -7.900 1.00 0.00 O ATOM 755 CB LYS A 49 -1.940 3.817 -8.178 1.00 0.00 C ATOM 756 CG LYS A 49 -0.427 3.771 -7.923 1.00 0.00 C ATOM 757 CD LYS A 49 0.074 2.340 -8.084 1.00 0.00 C ATOM 758 CE LYS A 49 1.439 2.195 -7.407 1.00 0.00 C ATOM 759 NZ LYS A 49 2.476 2.880 -8.228 1.00 0.00 N ATOM 0 H LYS A 49 -2.341 2.739 -6.005 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.044 5.438 -6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.336 2.805 -8.266 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.146 4.323 -9.121 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.090 4.429 -8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.206 4.134 -6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.638 1.643 -7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.153 2.088 -9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.408 2.627 -6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.689 1.140 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.404 2.782 -7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.511 2.449 -9.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.239 3.889 -8.316 1.00 0.00 H new ATOM 773 N LYS A 50 -4.912 3.933 -7.254 1.00 0.00 N ATOM 774 CA LYS A 50 -6.319 4.097 -7.570 1.00 0.00 C ATOM 775 C LYS A 50 -6.906 5.204 -6.709 1.00 0.00 C ATOM 776 O LYS A 50 -7.636 6.068 -7.200 1.00 0.00 O ATOM 777 CB LYS A 50 -7.053 2.774 -7.322 1.00 0.00 C ATOM 778 CG LYS A 50 -8.482 2.831 -7.864 1.00 0.00 C ATOM 779 CD LYS A 50 -9.155 1.476 -7.614 1.00 0.00 C ATOM 780 CE LYS A 50 -9.594 1.372 -6.149 1.00 0.00 C ATOM 781 NZ LYS A 50 -10.450 0.165 -5.976 1.00 0.00 N ATOM 0 H LYS A 50 -4.672 3.016 -6.876 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.435 4.372 -8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.511 1.958 -7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.074 2.560 -6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.041 3.627 -7.373 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.473 3.058 -8.930 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.018 1.363 -8.270 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.464 0.668 -7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.721 1.309 -5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.144 2.267 -5.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.418 0.458 -5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.466 -0.379 -6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.064 -0.428 -5.213 1.00 0.00 H new ATOM 795 N LEU A 51 -6.551 5.185 -5.424 1.00 0.00 N ATOM 796 CA LEU A 51 -7.023 6.215 -4.500 1.00 0.00 C ATOM 797 C LEU A 51 -6.344 7.539 -4.813 1.00 0.00 C ATOM 798 O LEU A 51 -6.996 8.579 -4.894 1.00 0.00 O ATOM 799 CB LEU A 51 -6.775 5.808 -3.031 1.00 0.00 C ATOM 800 CG LEU A 51 -8.100 5.359 -2.380 1.00 0.00 C ATOM 801 CD1 LEU A 51 -9.078 6.541 -2.278 1.00 0.00 C ATOM 802 CD2 LEU A 51 -8.735 4.229 -3.211 1.00 0.00 C ATOM 0 H LEU A 51 -5.947 4.478 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.099 6.328 -4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.046 4.999 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.354 6.648 -2.478 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.887 4.993 -1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.007 6.206 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.634 7.329 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.287 6.927 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.670 3.917 -2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.934 4.588 -4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.051 3.381 -3.255 1.00 0.00 H new ATOM 814 N ASN A 52 -5.029 7.477 -5.004 1.00 0.00 N ATOM 815 CA ASN A 52 -4.243 8.661 -5.330 1.00 0.00 C ATOM 816 C ASN A 52 -4.730 9.298 -6.625 1.00 0.00 C ATOM 817 O ASN A 52 -4.876 10.512 -6.707 1.00 0.00 O ATOM 818 CB ASN A 52 -2.791 8.251 -5.501 1.00 0.00 C ATOM 819 CG ASN A 52 -1.917 9.455 -5.818 1.00 0.00 C ATOM 820 OD1 ASN A 52 -1.493 10.164 -4.916 1.00 0.00 O ATOM 821 ND2 ASN A 52 -1.622 9.729 -7.059 1.00 0.00 N ATOM 0 H ASN A 52 -4.485 6.617 -4.938 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.349 9.386 -4.523 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.436 7.769 -4.590 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.709 7.517 -6.302 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.037 10.535 -7.278 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.976 9.137 -7.810 1.00 0.00 H new ATOM 828 N ASP A 53 -4.971 8.455 -7.627 1.00 0.00 N ATOM 829 CA ASP A 53 -5.439 8.912 -8.929 1.00 0.00 C ATOM 830 C ASP A 53 -6.766 9.631 -8.774 1.00 0.00 C ATOM 831 O ASP A 53 -6.997 10.690 -9.363 1.00 0.00 O ATOM 832 CB ASP A 53 -5.599 7.712 -9.874 1.00 0.00 C ATOM 833 CG ASP A 53 -6.029 8.186 -11.261 1.00 0.00 C ATOM 834 OD1 ASP A 53 -5.160 8.545 -12.038 1.00 0.00 O ATOM 835 OD2 ASP A 53 -7.222 8.189 -11.522 1.00 0.00 O ATOM 0 H ASP A 53 -4.848 7.445 -7.558 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.709 9.602 -9.352 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.658 7.167 -9.944 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.339 7.020 -9.473 1.00 0.00 H new ATOM 840 N ALA A 54 -7.613 9.046 -7.948 1.00 0.00 N ATOM 841 CA ALA A 54 -8.918 9.606 -7.655 1.00 0.00 C ATOM 842 C ALA A 54 -8.760 10.897 -6.859 1.00 0.00 C ATOM 843 O ALA A 54 -9.579 11.812 -6.967 1.00 0.00 O ATOM 844 CB ALA A 54 -9.738 8.599 -6.851 1.00 0.00 C ATOM 0 H ALA A 54 -7.416 8.171 -7.462 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.434 9.826 -8.590 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.719 9.021 -6.631 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.858 7.683 -7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.223 8.373 -5.917 1.00 0.00 H new ATOM 850 N GLN A 55 -7.693 10.953 -6.059 1.00 0.00 N ATOM 851 CA GLN A 55 -7.405 12.123 -5.231 1.00 0.00 C ATOM 852 C GLN A 55 -6.477 13.091 -5.966 1.00 0.00 C ATOM 853 O GLN A 55 -6.130 14.153 -5.445 1.00 0.00 O ATOM 854 CB GLN A 55 -6.770 11.646 -3.920 1.00 0.00 C ATOM 855 CG GLN A 55 -7.880 11.170 -2.969 1.00 0.00 C ATOM 856 CD GLN A 55 -7.467 9.910 -2.210 1.00 0.00 C ATOM 857 OE1 GLN A 55 -8.317 9.250 -1.623 1.00 0.00 O ATOM 858 NE2 GLN A 55 -6.217 9.533 -2.179 1.00 0.00 N ATOM 0 H GLN A 55 -7.013 10.198 -5.968 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.329 12.660 -5.016 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.068 10.835 -4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.202 12.455 -3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.116 11.962 -2.259 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.788 10.971 -3.539 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.507 10.080 -2.666 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.951 8.692 -1.667 1.00 0.00 H new ATOM 867 N ALA A 56 -6.087 12.710 -7.181 1.00 0.00 N ATOM 868 CA ALA A 56 -5.198 13.531 -8.001 1.00 0.00 C ATOM 869 C ALA A 56 -5.925 14.765 -8.515 1.00 0.00 C ATOM 870 O ALA A 56 -7.122 14.713 -8.798 1.00 0.00 O ATOM 871 CB ALA A 56 -4.662 12.705 -9.175 1.00 0.00 C ATOM 0 H ALA A 56 -6.374 11.835 -7.620 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.362 13.860 -7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.000 13.323 -9.782 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.109 11.847 -8.793 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.495 12.357 -9.786 1.00 0.00 H new ATOM 877 N PRO A 57 -5.217 15.870 -8.625 1.00 0.00 N ATOM 878 CA PRO A 57 -5.792 17.156 -9.102 1.00 0.00 C ATOM 879 C PRO A 57 -6.578 16.996 -10.402 1.00 0.00 C ATOM 880 O PRO A 57 -6.327 16.078 -11.188 1.00 0.00 O ATOM 881 CB PRO A 57 -4.586 18.071 -9.319 1.00 0.00 C ATOM 882 CG PRO A 57 -3.361 17.288 -8.992 1.00 0.00 C ATOM 883 CD PRO A 57 -3.791 16.008 -8.291 1.00 0.00 C ATOM 0 HA PRO A 57 -6.503 17.555 -8.379 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.552 18.422 -10.351 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.657 18.954 -8.684 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.804 17.056 -9.900 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.698 17.869 -8.351 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.216 15.151 -8.641 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.640 16.075 -7.214 1.00 0.00 H new ATOM 891 N LYS A 58 -7.531 17.899 -10.605 1.00 0.00 N ATOM 892 CA LYS A 58 -8.381 17.877 -11.798 1.00 0.00 C ATOM 893 C LYS A 58 -8.663 19.301 -12.282 1.00 0.00 C ATOM 894 O LYS A 58 -8.599 19.522 -13.481 1.00 0.00 O ATOM 895 CB LYS A 58 -9.705 17.168 -11.475 1.00 0.00 C ATOM 896 CG LYS A 58 -9.426 15.717 -11.058 1.00 0.00 C ATOM 897 CD LYS A 58 -10.745 14.989 -10.772 1.00 0.00 C ATOM 898 CE LYS A 58 -10.456 13.573 -10.251 1.00 0.00 C ATOM 899 NZ LYS A 58 -9.641 13.652 -9.004 1.00 0.00 N ATOM 900 OXT LYS A 58 -8.943 20.148 -11.448 1.00 0.00 O ATOM 0 H LYS A 58 -7.738 18.660 -9.958 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.861 17.337 -12.589 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.224 17.694 -10.674 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.361 17.187 -12.346 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.881 15.201 -11.849 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.793 15.701 -10.171 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.326 15.545 -10.036 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.346 14.937 -11.680 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.392 13.050 -10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.924 12.998 -11.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.688 12.743 -8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.652 13.862 -9.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.014 14.406 -8.393 1.00 0.00 H new TER 914 LYS A 58