USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 503 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 32 ASN : amide:sc= 0.747 K(o=0.91,f=-15!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -117:sc= 0.164! (180deg=-5.77!) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -151:sc= 0.868 (180deg=-0.281!) USER MOD Set 2.2: A 55 THR OG1 : rot -9:sc= -1.36 USER MOD Single : A 4 ASN : amide:sc= -0.826 K(o=-0.83,f=-4.9!) USER MOD Single : A 5 ASN : amide:sc= 0.809 K(o=0.81,f=-4.6!) USER MOD Single : A 7 LYS NZ :NH3+ -157:sc= -0.427 (180deg=-1.52) USER MOD Single : A 12 LYS NZ :NH3+ -153:sc= -0.0149 (180deg=-0.383) USER MOD Single : A 14 LYS NZ :NH3+ 146:sc= 0.715 (180deg=-0.618!) USER MOD Single : A 16 SER OG : rot 82:sc= 1.32 USER MOD Single : A 17 GLN : amide:sc= -3.19 K(o=-3.2,f=-9.4!) USER MOD Single : A 18 SER OG : rot 150:sc= -2.8! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.758 USER MOD Single : A 37 ASN :FLIP amide:sc= -5.71! C(o=-12!,f=-5.7!) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.0308 (180deg=-0.309) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.225 X(o=-0.23,f=-0.3) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0593 X(o=-0.059,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0.636 (180deg=0.467) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.196 F(o=-0.86,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 56 N ASN A 4 -0.730 -1.649 -5.154 1.00 0.00 N ATOM 57 CA ASN A 4 -1.408 -2.404 -4.111 1.00 0.00 C ATOM 58 C ASN A 4 -1.674 -3.828 -4.573 1.00 0.00 C ATOM 59 O ASN A 4 -2.633 -4.452 -4.144 1.00 0.00 O ATOM 60 CB ASN A 4 -2.736 -1.725 -3.739 1.00 0.00 C ATOM 61 CG ASN A 4 -3.136 -2.099 -2.325 1.00 0.00 C ATOM 62 OD1 ASN A 4 -3.297 -1.232 -1.475 1.00 0.00 O ATOM 63 ND2 ASN A 4 -3.304 -3.331 -2.019 1.00 0.00 N ATOM 0 HA ASN A 4 -0.762 -2.431 -3.233 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.636 -0.643 -3.822 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.516 -2.028 -4.438 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.571 -3.589 -1.069 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.170 -4.055 -2.725 1.00 0.00 H new ATOM 70 N ASN A 5 -0.762 -4.371 -5.370 1.00 0.00 N ATOM 71 CA ASN A 5 -0.867 -5.754 -5.853 1.00 0.00 C ATOM 72 C ASN A 5 -0.678 -6.736 -4.701 1.00 0.00 C ATOM 73 O ASN A 5 0.174 -7.627 -4.760 1.00 0.00 O ATOM 74 CB ASN A 5 0.184 -6.022 -6.946 1.00 0.00 C ATOM 75 CG ASN A 5 1.518 -5.378 -6.566 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.592 -4.155 -6.389 1.00 0.00 O ATOM 77 ND2 ASN A 5 2.576 -6.109 -6.427 1.00 0.00 N ATOM 0 H ASN A 5 0.066 -3.876 -5.701 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.861 -5.894 -6.277 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.315 -7.096 -7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -0.162 -5.623 -7.899 1.00 0.00 H new ATOM 0 HD21 ASN A 5 3.464 -5.677 -6.173 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.522 -7.117 -6.571 1.00 0.00 H new ATOM 84 N LEU A 6 -1.461 -6.554 -3.655 1.00 0.00 N ATOM 85 CA LEU A 6 -1.372 -7.392 -2.455 1.00 0.00 C ATOM 86 C LEU A 6 -1.753 -8.840 -2.764 1.00 0.00 C ATOM 87 O LEU A 6 -1.120 -9.790 -2.277 1.00 0.00 O ATOM 88 CB LEU A 6 -2.262 -6.803 -1.328 1.00 0.00 C ATOM 89 CG LEU A 6 -2.202 -7.649 -0.036 1.00 0.00 C ATOM 90 CD1 LEU A 6 -3.109 -8.878 -0.163 1.00 0.00 C ATOM 91 CD2 LEU A 6 -0.762 -8.092 0.263 1.00 0.00 C ATOM 0 H LEU A 6 -2.176 -5.828 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.338 -7.396 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.941 -5.785 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.294 -6.745 -1.675 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.552 -7.030 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.057 -9.465 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.137 -8.556 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.779 -9.488 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.746 -8.686 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.386 -8.692 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.130 -7.213 0.390 1.00 0.00 H new ATOM 103 N LYS A 7 -2.811 -9.006 -3.536 1.00 0.00 N ATOM 104 CA LYS A 7 -3.347 -10.326 -3.830 1.00 0.00 C ATOM 105 C LYS A 7 -2.291 -11.272 -4.374 1.00 0.00 C ATOM 106 O LYS A 7 -2.217 -12.406 -3.947 1.00 0.00 O ATOM 107 CB LYS A 7 -4.507 -10.216 -4.824 1.00 0.00 C ATOM 108 CG LYS A 7 -4.018 -9.516 -6.088 1.00 0.00 C ATOM 109 CD LYS A 7 -5.206 -9.048 -6.925 1.00 0.00 C ATOM 110 CE LYS A 7 -4.703 -8.069 -7.987 1.00 0.00 C ATOM 111 NZ LYS A 7 -4.314 -8.809 -9.217 1.00 0.00 N ATOM 0 H LYS A 7 -3.320 -8.239 -3.974 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.705 -10.743 -2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.889 -11.208 -5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.331 -9.657 -4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.393 -8.663 -5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.398 -10.196 -6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.694 -9.900 -7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.950 -8.567 -6.290 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.481 -7.342 -8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.849 -7.510 -7.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.637 -8.241 -9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.874 -9.713 -8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.159 -8.991 -9.795 1.00 0.00 H new ATOM 125 N LEU A 8 -1.494 -10.814 -5.329 1.00 0.00 N ATOM 126 CA LEU A 8 -0.561 -11.712 -6.029 1.00 0.00 C ATOM 127 C LEU A 8 0.376 -12.368 -5.044 1.00 0.00 C ATOM 128 O LEU A 8 0.533 -13.594 -5.031 1.00 0.00 O ATOM 129 CB LEU A 8 0.291 -10.909 -7.035 1.00 0.00 C ATOM 130 CG LEU A 8 -0.491 -10.594 -8.332 1.00 0.00 C ATOM 131 CD1 LEU A 8 -1.448 -11.730 -8.705 1.00 0.00 C ATOM 132 CD2 LEU A 8 -1.277 -9.292 -8.165 1.00 0.00 C ATOM 0 H LEU A 8 -1.467 -9.843 -5.640 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.148 -12.470 -6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.617 -9.977 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.190 -11.474 -7.281 1.00 0.00 H new ATOM 0 HG LEU A 8 0.234 -10.486 -9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.979 -11.472 -9.621 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.880 -12.648 -8.861 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.166 -11.880 -7.899 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.825 -9.077 -9.083 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.980 -9.395 -7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.587 -8.475 -7.955 1.00 0.00 H new ATOM 144 N ILE A 9 0.909 -11.571 -4.166 1.00 0.00 N ATOM 145 CA ILE A 9 1.757 -12.060 -3.114 1.00 0.00 C ATOM 146 C ILE A 9 0.933 -12.944 -2.192 1.00 0.00 C ATOM 147 O ILE A 9 1.335 -14.046 -1.823 1.00 0.00 O ATOM 148 CB ILE A 9 2.353 -10.874 -2.369 1.00 0.00 C ATOM 149 CG1 ILE A 9 3.058 -9.962 -3.392 1.00 0.00 C ATOM 150 CG2 ILE A 9 3.382 -11.385 -1.358 1.00 0.00 C ATOM 151 CD1 ILE A 9 2.806 -8.505 -3.046 1.00 0.00 C ATOM 0 H ILE A 9 0.769 -10.561 -4.157 1.00 0.00 H new ATOM 0 HA ILE A 9 2.577 -12.655 -3.517 1.00 0.00 H new ATOM 0 HB ILE A 9 1.571 -10.322 -1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.129 -10.164 -3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.691 -10.175 -4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.814 -10.541 -0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.895 -12.056 -0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.172 -11.923 -1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.307 -7.866 -3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.734 -8.306 -3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.195 -8.295 -2.050 1.00 0.00 H new ATOM 163 N ARG A 10 -0.258 -12.487 -1.897 1.00 0.00 N ATOM 164 CA ARG A 10 -1.185 -13.260 -1.110 1.00 0.00 C ATOM 165 C ARG A 10 -1.487 -14.604 -1.807 1.00 0.00 C ATOM 166 O ARG A 10 -1.472 -15.660 -1.160 1.00 0.00 O ATOM 167 CB ARG A 10 -2.457 -12.431 -0.876 1.00 0.00 C ATOM 168 CG ARG A 10 -3.647 -13.325 -0.555 1.00 0.00 C ATOM 169 CD ARG A 10 -4.526 -13.451 -1.808 1.00 0.00 C ATOM 170 NE ARG A 10 -5.605 -14.405 -1.591 1.00 0.00 N ATOM 171 CZ ARG A 10 -6.644 -14.501 -2.436 1.00 0.00 C ATOM 172 NH1 ARG A 10 -6.775 -13.643 -3.416 1.00 0.00 N ATOM 173 NH2 ARG A 10 -7.532 -15.433 -2.267 1.00 0.00 N ATOM 0 H ARG A 10 -0.610 -11.577 -2.193 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.748 -13.496 -0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.293 -11.732 -0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.675 -11.836 -1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.304 -14.309 -0.235 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.223 -12.904 0.269 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.942 -12.477 -2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.917 -13.770 -2.654 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.570 -15.016 -0.775 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.087 -12.900 -3.539 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.565 -13.718 -4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.440 -16.091 -1.493 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.322 -15.507 -2.908 1.00 0.00 H new ATOM 187 N GLU A 11 -1.714 -14.572 -3.129 1.00 0.00 N ATOM 188 CA GLU A 11 -1.956 -15.810 -3.885 1.00 0.00 C ATOM 189 C GLU A 11 -0.690 -16.639 -3.877 1.00 0.00 C ATOM 190 O GLU A 11 -0.724 -17.870 -3.818 1.00 0.00 O ATOM 191 CB GLU A 11 -2.303 -15.533 -5.357 1.00 0.00 C ATOM 192 CG GLU A 11 -3.454 -14.556 -5.478 1.00 0.00 C ATOM 193 CD GLU A 11 -3.974 -14.562 -6.898 1.00 0.00 C ATOM 194 OE1 GLU A 11 -3.223 -14.243 -7.786 1.00 0.00 O ATOM 195 OE2 GLU A 11 -5.121 -14.887 -7.081 1.00 0.00 O ATOM 0 H GLU A 11 -1.735 -13.719 -3.688 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.794 -16.322 -3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.428 -15.133 -5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.563 -16.468 -5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.251 -14.829 -4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.124 -13.554 -5.204 1.00 0.00 H new ATOM 202 N LYS A 12 0.422 -15.946 -3.995 1.00 0.00 N ATOM 203 CA LYS A 12 1.733 -16.560 -4.065 1.00 0.00 C ATOM 204 C LYS A 12 1.952 -17.469 -2.863 1.00 0.00 C ATOM 205 O LYS A 12 2.363 -18.622 -3.014 1.00 0.00 O ATOM 206 CB LYS A 12 2.780 -15.436 -4.103 1.00 0.00 C ATOM 207 CG LYS A 12 4.214 -15.954 -3.864 1.00 0.00 C ATOM 208 CD LYS A 12 4.970 -14.937 -2.987 1.00 0.00 C ATOM 209 CE LYS A 12 6.268 -14.489 -3.660 1.00 0.00 C ATOM 210 NZ LYS A 12 7.143 -15.659 -3.922 1.00 0.00 N ATOM 0 H LYS A 12 0.443 -14.927 -4.046 1.00 0.00 H new ATOM 0 HA LYS A 12 1.820 -17.175 -4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.735 -14.935 -5.070 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.536 -14.691 -3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.187 -16.928 -3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.730 -16.089 -4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.336 -14.071 -2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.194 -15.383 -2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.043 -13.978 -4.596 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.788 -13.773 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.137 -15.353 -3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.010 -16.367 -3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.896 -16.078 -4.841 1.00 0.00 H new ATOM 224 N LYS A 13 1.606 -16.983 -1.682 1.00 0.00 N ATOM 225 CA LYS A 13 1.708 -17.808 -0.473 1.00 0.00 C ATOM 226 C LYS A 13 0.359 -18.445 -0.120 1.00 0.00 C ATOM 227 O LYS A 13 0.227 -19.114 0.910 1.00 0.00 O ATOM 228 CB LYS A 13 2.266 -17.012 0.720 1.00 0.00 C ATOM 229 CG LYS A 13 1.986 -15.512 0.551 1.00 0.00 C ATOM 230 CD LYS A 13 2.422 -14.763 1.815 1.00 0.00 C ATOM 231 CE LYS A 13 3.910 -14.385 1.734 1.00 0.00 C ATOM 232 NZ LYS A 13 4.478 -14.289 3.108 1.00 0.00 N ATOM 0 H LYS A 13 1.256 -16.037 -1.527 1.00 0.00 H new ATOM 0 HA LYS A 13 2.415 -18.608 -0.692 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.814 -17.369 1.645 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.340 -17.179 0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.523 -15.127 -0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.924 -15.348 0.367 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.819 -13.863 1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.247 -15.386 2.692 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.454 -15.132 1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.026 -13.434 1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.259 -13.602 3.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.738 -13.978 3.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.835 -15.221 3.402 1.00 0.00 H new ATOM 246 N LYS A 14 -0.626 -18.261 -0.998 1.00 0.00 N ATOM 247 CA LYS A 14 -1.969 -18.836 -0.823 1.00 0.00 C ATOM 248 C LYS A 14 -2.613 -18.410 0.501 1.00 0.00 C ATOM 249 O LYS A 14 -3.149 -19.244 1.248 1.00 0.00 O ATOM 250 CB LYS A 14 -1.928 -20.367 -0.938 1.00 0.00 C ATOM 251 CG LYS A 14 -1.411 -20.767 -2.328 1.00 0.00 C ATOM 252 CD LYS A 14 -2.411 -20.329 -3.409 1.00 0.00 C ATOM 253 CE LYS A 14 -1.878 -20.732 -4.788 1.00 0.00 C ATOM 254 NZ LYS A 14 -1.277 -19.546 -5.458 1.00 0.00 N ATOM 0 H LYS A 14 -0.521 -17.711 -1.851 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.592 -18.443 -1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.281 -20.782 -0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.924 -20.780 -0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.441 -20.305 -2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.264 -21.846 -2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.381 -20.793 -3.232 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.561 -19.250 -3.366 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.132 -21.520 -4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.686 -21.136 -5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.468 -19.848 -6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.989 -19.093 -6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.954 -18.867 -4.739 1.00 0.00 H new ATOM 268 N ILE A 15 -2.627 -17.111 0.739 1.00 0.00 N ATOM 269 CA ILE A 15 -3.269 -16.529 1.923 1.00 0.00 C ATOM 270 C ILE A 15 -4.674 -16.056 1.566 1.00 0.00 C ATOM 271 O ILE A 15 -4.902 -15.551 0.468 1.00 0.00 O ATOM 272 CB ILE A 15 -2.420 -15.352 2.467 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.363 -15.874 3.443 1.00 0.00 C ATOM 274 CG2 ILE A 15 -3.300 -14.337 3.201 1.00 0.00 C ATOM 275 CD1 ILE A 15 -0.437 -16.851 2.738 1.00 0.00 C ATOM 0 H ILE A 15 -2.196 -16.422 0.122 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.341 -17.288 2.702 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.941 -14.867 1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.787 -15.041 3.846 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.847 -16.365 4.287 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.681 -13.521 3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.048 -13.941 2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.798 -14.826 4.038 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.311 -17.216 3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.017 -17.691 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.060 -16.347 1.909 1.00 0.00 H new ATOM 287 N SER A 16 -5.621 -16.232 2.464 1.00 0.00 N ATOM 288 CA SER A 16 -6.969 -15.757 2.207 1.00 0.00 C ATOM 289 C SER A 16 -7.016 -14.235 2.400 1.00 0.00 C ATOM 290 O SER A 16 -6.380 -13.695 3.309 1.00 0.00 O ATOM 291 CB SER A 16 -7.960 -16.436 3.147 1.00 0.00 C ATOM 292 OG SER A 16 -7.617 -17.815 3.280 1.00 0.00 O ATOM 0 H SER A 16 -5.489 -16.692 3.365 1.00 0.00 H new ATOM 0 HA SER A 16 -7.246 -16.002 1.182 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.945 -15.950 4.123 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.973 -16.338 2.758 1.00 0.00 H new ATOM 0 HG SER A 16 -6.899 -17.911 3.940 1.00 0.00 H new ATOM 298 N GLN A 17 -7.774 -13.547 1.576 1.00 0.00 N ATOM 299 CA GLN A 17 -7.910 -12.107 1.723 1.00 0.00 C ATOM 300 C GLN A 17 -8.690 -11.788 3.008 1.00 0.00 C ATOM 301 O GLN A 17 -8.376 -10.833 3.721 1.00 0.00 O ATOM 302 CB GLN A 17 -8.608 -11.495 0.491 1.00 0.00 C ATOM 303 CG GLN A 17 -7.972 -12.045 -0.806 1.00 0.00 C ATOM 304 CD GLN A 17 -6.942 -11.071 -1.383 1.00 0.00 C ATOM 305 OE1 GLN A 17 -6.637 -11.130 -2.575 1.00 0.00 O ATOM 306 NE2 GLN A 17 -6.376 -10.193 -0.615 1.00 0.00 N ATOM 0 H GLN A 17 -8.303 -13.952 0.803 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.917 -11.664 1.796 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.672 -11.730 0.512 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.521 -10.409 0.516 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.493 -13.002 -0.600 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.752 -12.231 -1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.627 -10.142 0.372 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.680 -9.553 -0.998 1.00 0.00 H new ATOM 315 N SER A 18 -9.721 -12.585 3.277 1.00 0.00 N ATOM 316 CA SER A 18 -10.577 -12.375 4.441 1.00 0.00 C ATOM 317 C SER A 18 -9.800 -12.511 5.750 1.00 0.00 C ATOM 318 O SER A 18 -9.926 -11.662 6.646 1.00 0.00 O ATOM 319 CB SER A 18 -11.713 -13.392 4.421 1.00 0.00 C ATOM 320 OG SER A 18 -12.061 -13.678 3.067 1.00 0.00 O ATOM 0 H SER A 18 -9.984 -13.385 2.702 1.00 0.00 H new ATOM 0 HA SER A 18 -10.971 -11.360 4.389 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.409 -14.306 4.932 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.578 -13.000 4.957 1.00 0.00 H new ATOM 0 HG SER A 18 -12.394 -14.597 3.002 1.00 0.00 H new ATOM 326 N GLU A 19 -8.973 -13.552 5.854 1.00 0.00 N ATOM 327 CA GLU A 19 -8.190 -13.756 7.066 1.00 0.00 C ATOM 328 C GLU A 19 -7.188 -12.640 7.219 1.00 0.00 C ATOM 329 O GLU A 19 -7.010 -12.088 8.304 1.00 0.00 O ATOM 330 CB GLU A 19 -7.503 -15.138 7.072 1.00 0.00 C ATOM 331 CG GLU A 19 -6.360 -15.183 6.049 1.00 0.00 C ATOM 332 CD GLU A 19 -5.811 -16.599 5.938 1.00 0.00 C ATOM 333 OE1 GLU A 19 -5.546 -17.186 6.957 1.00 0.00 O ATOM 334 OE2 GLU A 19 -5.670 -17.083 4.838 1.00 0.00 O ATOM 0 H GLU A 19 -8.831 -14.253 5.127 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.865 -13.738 7.922 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.114 -15.352 8.068 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.234 -15.913 6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.719 -14.847 5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.566 -14.499 6.349 1.00 0.00 H new ATOM 341 N LEU A 20 -6.611 -12.247 6.096 1.00 0.00 N ATOM 342 CA LEU A 20 -5.681 -11.141 6.056 1.00 0.00 C ATOM 343 C LEU A 20 -6.383 -9.869 6.514 1.00 0.00 C ATOM 344 O LEU A 20 -5.931 -9.204 7.436 1.00 0.00 O ATOM 345 CB LEU A 20 -5.186 -10.972 4.607 1.00 0.00 C ATOM 346 CG LEU A 20 -4.313 -9.715 4.455 1.00 0.00 C ATOM 347 CD1 LEU A 20 -2.914 -10.108 3.968 1.00 0.00 C ATOM 348 CD2 LEU A 20 -4.967 -8.771 3.432 1.00 0.00 C ATOM 0 H LEU A 20 -6.776 -12.687 5.191 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.836 -11.335 6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.614 -11.852 4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.041 -10.907 3.934 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.226 -9.214 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.301 -9.213 3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.453 -10.781 4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.992 -10.610 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.354 -7.877 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.051 -9.278 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.960 -8.488 3.781 1.00 0.00 H new ATOM 360 N ALA A 21 -7.561 -9.622 5.966 1.00 0.00 N ATOM 361 CA ALA A 21 -8.355 -8.458 6.356 1.00 0.00 C ATOM 362 C ALA A 21 -8.658 -8.493 7.843 1.00 0.00 C ATOM 363 O ALA A 21 -8.611 -7.459 8.523 1.00 0.00 O ATOM 364 CB ALA A 21 -9.665 -8.406 5.555 1.00 0.00 C ATOM 0 H ALA A 21 -7.992 -10.208 5.251 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.774 -7.562 6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.243 -7.533 5.859 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.438 -8.339 4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.244 -9.309 5.746 1.00 0.00 H new ATOM 370 N ALA A 22 -8.892 -9.694 8.368 1.00 0.00 N ATOM 371 CA ALA A 22 -9.142 -9.846 9.789 1.00 0.00 C ATOM 372 C ALA A 22 -7.930 -9.403 10.566 1.00 0.00 C ATOM 373 O ALA A 22 -8.048 -8.741 11.598 1.00 0.00 O ATOM 374 CB ALA A 22 -9.470 -11.300 10.130 1.00 0.00 C ATOM 0 H ALA A 22 -8.913 -10.563 7.834 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.997 -9.227 10.059 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.654 -11.390 11.201 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.359 -11.611 9.582 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.631 -11.937 9.851 1.00 0.00 H new ATOM 380 N LEU A 23 -6.760 -9.745 10.055 1.00 0.00 N ATOM 381 CA LEU A 23 -5.515 -9.346 10.687 1.00 0.00 C ATOM 382 C LEU A 23 -5.380 -7.834 10.637 1.00 0.00 C ATOM 383 O LEU A 23 -4.845 -7.209 11.555 1.00 0.00 O ATOM 384 CB LEU A 23 -4.312 -9.975 9.974 1.00 0.00 C ATOM 385 CG LEU A 23 -4.384 -11.506 10.040 1.00 0.00 C ATOM 386 CD1 LEU A 23 -3.087 -12.113 9.512 1.00 0.00 C ATOM 387 CD2 LEU A 23 -4.652 -11.975 11.465 1.00 0.00 C ATOM 0 H LEU A 23 -6.646 -10.297 9.205 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.533 -9.690 11.721 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.289 -9.651 8.933 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.387 -9.629 10.436 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.211 -11.841 9.414 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.147 -13.200 9.563 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.936 -11.806 8.477 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.250 -11.767 10.119 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.699 -13.064 11.487 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.849 -11.633 12.118 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.600 -11.564 11.811 1.00 0.00 H new ATOM 399 N LEU A 24 -5.774 -7.273 9.509 1.00 0.00 N ATOM 400 CA LEU A 24 -5.615 -5.846 9.244 1.00 0.00 C ATOM 401 C LEU A 24 -6.593 -5.022 10.056 1.00 0.00 C ATOM 402 O LEU A 24 -6.406 -3.812 10.229 1.00 0.00 O ATOM 403 CB LEU A 24 -5.831 -5.564 7.764 1.00 0.00 C ATOM 404 CG LEU A 24 -4.838 -6.371 6.939 1.00 0.00 C ATOM 405 CD1 LEU A 24 -5.052 -6.110 5.456 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.405 -6.045 7.348 1.00 0.00 C ATOM 0 H LEU A 24 -6.214 -7.790 8.747 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.602 -5.566 9.532 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.851 -5.823 7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.705 -4.500 7.564 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.008 -7.431 7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.336 -6.693 4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.065 -6.400 5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.909 -5.050 5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.712 -6.633 6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.214 -4.984 7.189 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.264 -6.285 8.402 1.00 0.00 H new ATOM 418 N GLU A 25 -7.684 -5.656 10.457 1.00 0.00 N ATOM 419 CA GLU A 25 -8.751 -4.987 11.192 1.00 0.00 C ATOM 420 C GLU A 25 -9.558 -4.102 10.242 1.00 0.00 C ATOM 421 O GLU A 25 -10.179 -3.120 10.661 1.00 0.00 O ATOM 422 CB GLU A 25 -8.168 -4.142 12.343 1.00 0.00 C ATOM 423 CG GLU A 25 -7.235 -5.009 13.207 1.00 0.00 C ATOM 424 CD GLU A 25 -6.405 -4.131 14.117 1.00 0.00 C ATOM 425 OE1 GLU A 25 -6.978 -3.443 14.938 1.00 0.00 O ATOM 426 OE2 GLU A 25 -5.203 -4.140 13.975 1.00 0.00 O ATOM 0 H GLU A 25 -7.856 -6.646 10.284 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.409 -5.743 11.621 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.619 -3.291 11.940 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.975 -3.739 12.955 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.823 -5.709 13.801 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.582 -5.603 12.568 1.00 0.00 H new ATOM 433 N VAL A 26 -9.567 -4.480 8.968 1.00 0.00 N ATOM 434 CA VAL A 26 -10.325 -3.766 7.939 1.00 0.00 C ATOM 435 C VAL A 26 -11.060 -4.759 7.038 1.00 0.00 C ATOM 436 O VAL A 26 -10.754 -5.953 7.047 1.00 0.00 O ATOM 437 CB VAL A 26 -9.395 -2.874 7.110 1.00 0.00 C ATOM 438 CG1 VAL A 26 -8.767 -1.815 8.013 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.279 -3.718 6.507 1.00 0.00 C ATOM 0 H VAL A 26 -9.052 -5.287 8.617 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.063 -3.130 8.429 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.972 -2.398 6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.105 -1.180 7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.552 -1.205 8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.194 -2.303 8.802 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.619 -3.081 5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.708 -4.191 7.306 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.710 -4.486 5.865 1.00 0.00 H new ATOM 449 N SER A 27 -12.046 -4.279 6.292 1.00 0.00 N ATOM 450 CA SER A 27 -12.837 -5.158 5.439 1.00 0.00 C ATOM 451 C SER A 27 -12.032 -5.670 4.238 1.00 0.00 C ATOM 452 O SER A 27 -11.264 -4.920 3.611 1.00 0.00 O ATOM 453 CB SER A 27 -14.105 -4.446 4.967 1.00 0.00 C ATOM 454 OG SER A 27 -14.698 -3.762 6.074 1.00 0.00 O ATOM 0 H SER A 27 -12.316 -3.296 6.259 1.00 0.00 H new ATOM 0 HA SER A 27 -13.118 -6.025 6.037 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.866 -3.739 4.173 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.808 -5.167 4.550 1.00 0.00 H new ATOM 0 HG SER A 27 -15.511 -3.302 5.777 1.00 0.00 H new ATOM 460 N ARG A 28 -12.287 -6.921 3.876 1.00 0.00 N ATOM 461 CA ARG A 28 -11.654 -7.569 2.729 1.00 0.00 C ATOM 462 C ARG A 28 -11.965 -6.809 1.448 1.00 0.00 C ATOM 463 O ARG A 28 -11.087 -6.627 0.590 1.00 0.00 O ATOM 464 CB ARG A 28 -12.183 -9.006 2.613 1.00 0.00 C ATOM 465 CG ARG A 28 -11.494 -9.765 1.473 1.00 0.00 C ATOM 466 CD ARG A 28 -12.110 -11.170 1.381 1.00 0.00 C ATOM 467 NE ARG A 28 -13.525 -11.070 1.028 1.00 0.00 N ATOM 468 CZ ARG A 28 -14.442 -11.945 1.471 1.00 0.00 C ATOM 469 NH1 ARG A 28 -14.085 -12.954 2.219 1.00 0.00 N ATOM 470 NH2 ARG A 28 -15.693 -11.785 1.152 1.00 0.00 N ATOM 0 H ARG A 28 -12.945 -7.522 4.373 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.574 -7.577 2.875 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.020 -9.532 3.553 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.259 -8.986 2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.623 -9.232 0.531 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.422 -9.833 1.657 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.580 -11.761 0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.999 -11.688 2.334 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.827 -10.307 0.422 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.105 -13.081 2.470 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.787 -13.615 2.552 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.974 -10.997 0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.393 -12.447 1.486 1.00 0.00 H new ATOM 484 N GLN A 29 -13.218 -6.396 1.299 1.00 0.00 N ATOM 485 CA GLN A 29 -13.637 -5.692 0.098 1.00 0.00 C ATOM 486 C GLN A 29 -12.768 -4.471 -0.127 1.00 0.00 C ATOM 487 O GLN A 29 -12.309 -4.218 -1.238 1.00 0.00 O ATOM 488 CB GLN A 29 -15.129 -5.294 0.169 1.00 0.00 C ATOM 489 CG GLN A 29 -15.420 -4.492 1.450 1.00 0.00 C ATOM 490 CD GLN A 29 -16.881 -4.034 1.467 1.00 0.00 C ATOM 491 OE1 GLN A 29 -17.466 -3.773 0.414 1.00 0.00 O ATOM 492 NE2 GLN A 29 -17.503 -3.911 2.591 1.00 0.00 N ATOM 0 H GLN A 29 -13.955 -6.536 1.990 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.516 -6.369 -0.748 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.394 -4.700 -0.706 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.750 -6.189 0.146 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.214 -5.106 2.327 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.759 -3.627 1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -17.024 -4.126 3.465 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.474 -3.599 2.605 1.00 0.00 H new ATOM 501 N THR A 30 -12.507 -3.743 0.935 1.00 0.00 N ATOM 502 CA THR A 30 -11.647 -2.588 0.851 1.00 0.00 C ATOM 503 C THR A 30 -10.213 -2.998 0.527 1.00 0.00 C ATOM 504 O THR A 30 -9.594 -2.446 -0.381 1.00 0.00 O ATOM 505 CB THR A 30 -11.692 -1.818 2.172 1.00 0.00 C ATOM 506 OG1 THR A 30 -12.877 -2.179 2.872 1.00 0.00 O ATOM 507 CG2 THR A 30 -11.704 -0.310 1.893 1.00 0.00 C ATOM 0 H THR A 30 -12.878 -3.931 1.866 1.00 0.00 H new ATOM 0 HA THR A 30 -12.003 -1.946 0.046 1.00 0.00 H new ATOM 0 HB THR A 30 -10.815 -2.063 2.771 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.916 -1.693 3.722 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.736 0.234 2.837 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.803 -0.034 1.345 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.582 -0.057 1.298 1.00 0.00 H new ATOM 515 N ILE A 31 -9.676 -3.950 1.294 1.00 0.00 N ATOM 516 CA ILE A 31 -8.282 -4.354 1.107 1.00 0.00 C ATOM 517 C ILE A 31 -8.046 -4.976 -0.250 1.00 0.00 C ATOM 518 O ILE A 31 -7.071 -4.650 -0.923 1.00 0.00 O ATOM 519 CB ILE A 31 -7.838 -5.333 2.214 1.00 0.00 C ATOM 520 CG1 ILE A 31 -7.788 -4.613 3.557 1.00 0.00 C ATOM 521 CG2 ILE A 31 -6.452 -5.920 1.905 1.00 0.00 C ATOM 522 CD1 ILE A 31 -6.783 -3.453 3.484 1.00 0.00 C ATOM 0 H ILE A 31 -10.173 -4.446 2.034 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.682 -3.446 1.169 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.563 -6.145 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.777 -4.235 3.815 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.498 -5.310 4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.162 -6.607 2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.487 -6.457 0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.722 -5.113 1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.749 -2.940 4.445 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.794 -3.843 3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.092 -2.752 2.709 1.00 0.00 H new ATOM 534 N ASN A 32 -8.919 -5.877 -0.651 1.00 0.00 N ATOM 535 CA ASN A 32 -8.724 -6.548 -1.919 1.00 0.00 C ATOM 536 C ASN A 32 -9.257 -5.715 -3.056 1.00 0.00 C ATOM 537 O ASN A 32 -8.984 -5.994 -4.191 1.00 0.00 O ATOM 538 CB ASN A 32 -9.343 -7.953 -1.927 1.00 0.00 C ATOM 539 CG ASN A 32 -10.739 -7.920 -2.516 1.00 0.00 C ATOM 540 OD1 ASN A 32 -10.912 -8.134 -3.722 1.00 0.00 O ATOM 541 ND2 ASN A 32 -11.748 -7.651 -1.749 1.00 0.00 N ATOM 0 H ASN A 32 -9.751 -6.157 -0.132 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.650 -6.670 -2.059 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -8.714 -8.629 -2.506 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.381 -8.345 -0.911 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -12.690 -7.615 -2.139 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.601 -7.475 -0.755 1.00 0.00 H new ATOM 548 N GLY A 33 -10.054 -4.716 -2.746 1.00 0.00 N ATOM 549 CA GLY A 33 -10.628 -3.859 -3.780 1.00 0.00 C ATOM 550 C GLY A 33 -9.567 -2.980 -4.432 1.00 0.00 C ATOM 551 O GLY A 33 -9.597 -2.742 -5.632 1.00 0.00 O ATOM 0 H GLY A 33 -10.323 -4.471 -1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.108 -4.476 -4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.404 -3.230 -3.343 1.00 0.00 H new ATOM 555 N ILE A 34 -8.652 -2.479 -3.626 1.00 0.00 N ATOM 556 CA ILE A 34 -7.649 -1.509 -4.069 1.00 0.00 C ATOM 557 C ILE A 34 -6.771 -2.031 -5.182 1.00 0.00 C ATOM 558 O ILE A 34 -6.518 -1.319 -6.154 1.00 0.00 O ATOM 559 CB ILE A 34 -6.853 -0.993 -2.861 1.00 0.00 C ATOM 560 CG1 ILE A 34 -7.793 -0.101 -2.044 1.00 0.00 C ATOM 561 CG2 ILE A 34 -5.646 -0.165 -3.321 1.00 0.00 C ATOM 562 CD1 ILE A 34 -7.363 -0.009 -0.581 1.00 0.00 C ATOM 0 H ILE A 34 -8.576 -2.729 -2.640 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.171 -0.662 -4.513 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.485 -1.832 -2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.815 0.898 -2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.808 -0.495 -2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.096 0.191 -2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.992 -0.785 -3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.991 0.688 -3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.056 0.633 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.367 -1.005 -0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.359 0.411 -0.523 1.00 0.00 H new ATOM 574 N GLU A 35 -6.356 -3.263 -5.096 1.00 0.00 N ATOM 575 CA GLU A 35 -5.591 -3.824 -6.183 1.00 0.00 C ATOM 576 C GLU A 35 -6.462 -3.839 -7.435 1.00 0.00 C ATOM 577 O GLU A 35 -6.016 -3.469 -8.523 1.00 0.00 O ATOM 578 CB GLU A 35 -5.117 -5.229 -5.826 1.00 0.00 C ATOM 579 CG GLU A 35 -6.301 -6.068 -5.337 1.00 0.00 C ATOM 580 CD GLU A 35 -5.849 -7.170 -4.390 1.00 0.00 C ATOM 581 OE1 GLU A 35 -4.664 -7.257 -4.114 1.00 0.00 O ATOM 582 OE2 GLU A 35 -6.705 -7.921 -3.963 1.00 0.00 O ATOM 0 H GLU A 35 -6.526 -3.888 -4.308 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.705 -3.217 -6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.660 -5.701 -6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.351 -5.179 -5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.020 -5.424 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.814 -6.509 -6.192 1.00 0.00 H new ATOM 589 N LYS A 36 -7.739 -4.179 -7.245 1.00 0.00 N ATOM 590 CA LYS A 36 -8.723 -4.166 -8.331 1.00 0.00 C ATOM 591 C LYS A 36 -8.967 -2.742 -8.791 1.00 0.00 C ATOM 592 O LYS A 36 -8.933 -2.440 -9.981 1.00 0.00 O ATOM 593 CB LYS A 36 -10.060 -4.729 -7.836 1.00 0.00 C ATOM 594 CG LYS A 36 -9.803 -5.877 -6.876 1.00 0.00 C ATOM 595 CD LYS A 36 -8.882 -6.905 -7.529 1.00 0.00 C ATOM 596 CE LYS A 36 -8.934 -8.235 -6.774 1.00 0.00 C ATOM 597 NZ LYS A 36 -8.763 -8.011 -5.307 1.00 0.00 N ATOM 0 H LYS A 36 -8.118 -4.468 -6.343 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.334 -4.772 -9.149 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.634 -3.947 -7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.656 -5.074 -8.681 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.350 -5.501 -5.959 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.746 -6.347 -6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.178 -7.058 -8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.859 -6.528 -7.542 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.886 -8.731 -6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.151 -8.899 -7.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.893 -8.481 -4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.697 -6.991 -5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.580 -8.406 -4.798 1.00 0.00 H new ATOM 611 N ASN A 37 -9.198 -1.872 -7.818 1.00 0.00 N ATOM 612 CA ASN A 37 -9.443 -0.457 -8.064 1.00 0.00 C ATOM 613 C ASN A 37 -8.401 0.420 -7.375 1.00 0.00 C ATOM 614 O ASN A 37 -7.256 0.447 -7.814 1.00 0.00 O ATOM 615 CB ASN A 37 -10.910 -0.033 -7.756 1.00 0.00 C ATOM 616 CG ASN A 37 -11.280 -0.112 -6.266 1.00 0.00 C ATOM 617 OD1 ASN A 37 -10.424 -0.525 -5.395 1.00 0.00 O flip ATOM 618 ND2 ASN A 37 -12.410 0.217 -5.894 1.00 0.00 N flip ATOM 0 H ASN A 37 -9.221 -2.129 -6.831 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.324 -0.294 -9.135 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.064 0.988 -8.105 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -11.589 -0.670 -8.323 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -13.095 0.545 -6.574 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.658 0.161 -4.906 1.00 0.00 H new ATOM 625 N LYS A 38 -8.776 1.175 -6.342 1.00 0.00 N ATOM 626 CA LYS A 38 -7.806 2.064 -5.711 1.00 0.00 C ATOM 627 C LYS A 38 -8.069 2.345 -4.245 1.00 0.00 C ATOM 628 O LYS A 38 -9.103 1.959 -3.699 1.00 0.00 O ATOM 629 CB LYS A 38 -7.722 3.375 -6.461 1.00 0.00 C ATOM 630 CG LYS A 38 -6.362 3.487 -7.138 1.00 0.00 C ATOM 631 CD LYS A 38 -5.279 3.663 -6.070 1.00 0.00 C ATOM 632 CE LYS A 38 -3.927 3.841 -6.738 1.00 0.00 C ATOM 633 NZ LYS A 38 -3.535 2.578 -7.421 1.00 0.00 N ATOM 0 H LYS A 38 -9.712 1.190 -5.937 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.858 1.528 -5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.516 3.432 -7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.868 4.209 -5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.163 2.594 -7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.353 4.334 -7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.505 4.529 -5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.259 2.794 -5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.972 4.657 -7.459 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.177 4.112 -5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.519 2.603 -7.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.735 1.770 -6.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.077 2.478 -8.303 1.00 0.00 H new ATOM 647 N TYR A 39 -7.106 3.104 -3.667 1.00 0.00 N ATOM 648 CA TYR A 39 -7.078 3.624 -2.287 1.00 0.00 C ATOM 649 C TYR A 39 -5.869 3.099 -1.534 1.00 0.00 C ATOM 650 O TYR A 39 -5.649 1.902 -1.461 1.00 0.00 O ATOM 651 CB TYR A 39 -8.361 3.358 -1.506 1.00 0.00 C ATOM 652 CG TYR A 39 -9.536 4.060 -2.152 1.00 0.00 C ATOM 653 CD1 TYR A 39 -9.354 4.966 -3.224 1.00 0.00 C ATOM 654 CD2 TYR A 39 -10.813 3.793 -1.679 1.00 0.00 C ATOM 655 CE1 TYR A 39 -10.466 5.586 -3.794 1.00 0.00 C ATOM 656 CE2 TYR A 39 -11.913 4.411 -2.250 1.00 0.00 C ATOM 657 CZ TYR A 39 -11.744 5.309 -3.308 1.00 0.00 C ATOM 658 OH TYR A 39 -12.844 5.924 -3.874 1.00 0.00 O ATOM 0 H TYR A 39 -6.277 3.385 -4.190 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.999 4.707 -2.377 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.551 2.285 -1.463 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -8.245 3.703 -0.478 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.363 5.176 -3.598 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -10.950 3.100 -0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.338 6.280 -4.611 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -12.904 4.199 -1.877 1.00 0.00 H new ATOM 0 HH TYR A 39 -13.658 5.621 -3.420 1.00 0.00 H new ATOM 668 N ASN A 40 -5.053 4.002 -1.026 1.00 0.00 N ATOM 669 CA ASN A 40 -3.839 3.606 -0.333 1.00 0.00 C ATOM 670 C ASN A 40 -4.052 3.532 1.172 1.00 0.00 C ATOM 671 O ASN A 40 -4.300 4.549 1.825 1.00 0.00 O ATOM 672 CB ASN A 40 -2.662 4.548 -0.661 1.00 0.00 C ATOM 673 CG ASN A 40 -3.121 5.999 -0.764 1.00 0.00 C ATOM 674 OD1 ASN A 40 -4.011 6.432 -0.029 1.00 0.00 O ATOM 675 ND2 ASN A 40 -2.566 6.781 -1.636 1.00 0.00 N ATOM 0 H ASN A 40 -5.206 5.009 -1.079 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.585 2.608 -0.691 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.898 4.461 0.112 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.201 4.243 -1.601 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.866 7.753 -1.713 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.829 6.425 -2.245 1.00 0.00 H new ATOM 682 N PRO A 41 -3.913 2.364 1.747 1.00 0.00 N ATOM 683 CA PRO A 41 -4.017 2.174 3.221 1.00 0.00 C ATOM 684 C PRO A 41 -2.812 2.788 3.928 1.00 0.00 C ATOM 685 O PRO A 41 -1.769 3.016 3.303 1.00 0.00 O ATOM 686 CB PRO A 41 -4.036 0.649 3.386 1.00 0.00 C ATOM 687 CG PRO A 41 -3.285 0.144 2.214 1.00 0.00 C ATOM 688 CD PRO A 41 -3.631 1.088 1.059 1.00 0.00 C ATOM 0 HA PRO A 41 -4.894 2.655 3.654 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.566 0.344 4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.055 0.263 3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.213 0.141 2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.570 -0.882 1.979 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.805 1.183 0.354 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.493 0.735 0.494 1.00 0.00 H new ATOM 696 N SER A 42 -2.970 3.128 5.188 1.00 0.00 N ATOM 697 CA SER A 42 -1.901 3.769 5.933 1.00 0.00 C ATOM 698 C SER A 42 -0.717 2.820 6.132 1.00 0.00 C ATOM 699 O SER A 42 -0.828 1.604 5.921 1.00 0.00 O ATOM 700 CB SER A 42 -2.413 4.272 7.276 1.00 0.00 C ATOM 701 OG SER A 42 -3.646 4.970 7.083 1.00 0.00 O ATOM 0 H SER A 42 -3.826 2.973 5.721 1.00 0.00 H new ATOM 0 HA SER A 42 -1.552 4.622 5.351 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.559 3.435 7.959 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.677 4.932 7.734 1.00 0.00 H new ATOM 0 HG SER A 42 -3.978 5.293 7.947 1.00 0.00 H new ATOM 707 N LEU A 43 0.419 3.386 6.509 1.00 0.00 N ATOM 708 CA LEU A 43 1.646 2.623 6.660 1.00 0.00 C ATOM 709 C LEU A 43 1.493 1.555 7.718 1.00 0.00 C ATOM 710 O LEU A 43 1.882 0.412 7.503 1.00 0.00 O ATOM 711 CB LEU A 43 2.821 3.544 7.014 1.00 0.00 C ATOM 712 CG LEU A 43 4.108 2.717 7.172 1.00 0.00 C ATOM 713 CD1 LEU A 43 4.432 1.976 5.867 1.00 0.00 C ATOM 714 CD2 LEU A 43 5.273 3.636 7.529 1.00 0.00 C ATOM 0 H LEU A 43 0.515 4.380 6.717 1.00 0.00 H new ATOM 0 HA LEU A 43 1.854 2.140 5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.954 4.294 6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.608 4.080 7.939 1.00 0.00 H new ATOM 0 HG LEU A 43 3.956 1.989 7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.346 1.395 5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.609 1.307 5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.571 2.699 5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.182 3.045 7.640 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.413 4.371 6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.058 4.149 8.466 1.00 0.00 H new ATOM 726 N GLN A 44 0.875 1.899 8.836 1.00 0.00 N ATOM 727 CA GLN A 44 0.657 0.922 9.876 1.00 0.00 C ATOM 728 C GLN A 44 -0.099 -0.241 9.285 1.00 0.00 C ATOM 729 O GLN A 44 0.235 -1.405 9.514 1.00 0.00 O ATOM 730 CB GLN A 44 -0.191 1.534 10.983 1.00 0.00 C ATOM 731 CG GLN A 44 -0.373 0.527 12.117 1.00 0.00 C ATOM 732 CD GLN A 44 -1.476 0.999 13.035 1.00 0.00 C ATOM 733 OE1 GLN A 44 -1.238 1.300 14.201 1.00 0.00 O ATOM 734 NE2 GLN A 44 -2.676 1.097 12.564 1.00 0.00 N ATOM 0 H GLN A 44 0.522 2.834 9.040 1.00 0.00 H new ATOM 0 HA GLN A 44 1.615 0.598 10.283 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.287 2.438 11.361 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.163 1.829 10.587 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.618 -0.454 11.711 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.557 0.418 12.674 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.865 0.845 11.594 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.433 1.426 13.162 1.00 0.00 H new ATOM 743 N LEU A 45 -1.107 0.085 8.504 1.00 0.00 N ATOM 744 CA LEU A 45 -1.904 -0.922 7.851 1.00 0.00 C ATOM 745 C LEU A 45 -1.019 -1.704 6.888 1.00 0.00 C ATOM 746 O LEU A 45 -0.963 -2.934 6.933 1.00 0.00 O ATOM 747 CB LEU A 45 -3.076 -0.252 7.099 1.00 0.00 C ATOM 748 CG LEU A 45 -4.268 -1.221 6.962 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.872 -2.440 6.147 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.732 -1.677 8.352 1.00 0.00 C ATOM 0 H LEU A 45 -1.392 1.045 8.308 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.320 -1.608 8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.391 0.645 7.633 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.745 0.065 6.110 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.079 -0.698 6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.725 -3.113 6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.556 -2.126 5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.051 -2.958 6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.574 -2.361 8.248 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.913 -2.185 8.861 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.039 -0.809 8.936 1.00 0.00 H new ATOM 762 N ALA A 46 -0.221 -0.976 6.114 1.00 0.00 N ATOM 763 CA ALA A 46 0.725 -1.599 5.195 1.00 0.00 C ATOM 764 C ALA A 46 1.694 -2.479 5.959 1.00 0.00 C ATOM 765 O ALA A 46 1.956 -3.621 5.566 1.00 0.00 O ATOM 766 CB ALA A 46 1.503 -0.535 4.410 1.00 0.00 C ATOM 0 H ALA A 46 -0.210 0.044 6.105 1.00 0.00 H new ATOM 0 HA ALA A 46 0.161 -2.210 4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.202 -1.023 3.731 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.806 0.076 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.054 0.099 5.105 1.00 0.00 H new ATOM 772 N LEU A 47 2.177 -1.970 7.082 1.00 0.00 N ATOM 773 CA LEU A 47 3.080 -2.731 7.924 1.00 0.00 C ATOM 774 C LEU A 47 2.384 -3.975 8.428 1.00 0.00 C ATOM 775 O LEU A 47 2.939 -5.069 8.362 1.00 0.00 O ATOM 776 CB LEU A 47 3.589 -1.883 9.098 1.00 0.00 C ATOM 777 CG LEU A 47 4.528 -0.784 8.573 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.899 0.177 9.706 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.806 -1.421 8.010 1.00 0.00 C ATOM 0 H LEU A 47 1.958 -1.036 7.429 1.00 0.00 H new ATOM 0 HA LEU A 47 3.945 -3.024 7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.748 -1.434 9.627 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.116 -2.514 9.814 1.00 0.00 H new ATOM 0 HG LEU A 47 4.016 -0.231 7.786 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.564 0.951 9.323 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.995 0.639 10.102 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.403 -0.374 10.500 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.469 -0.639 7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.310 -1.981 8.797 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.547 -2.095 7.194 1.00 0.00 H new ATOM 791 N LYS A 48 1.120 -3.834 8.820 1.00 0.00 N ATOM 792 CA LYS A 48 0.345 -4.998 9.211 1.00 0.00 C ATOM 793 C LYS A 48 0.185 -5.945 8.043 1.00 0.00 C ATOM 794 O LYS A 48 0.345 -7.161 8.195 1.00 0.00 O ATOM 795 CB LYS A 48 -1.032 -4.611 9.773 1.00 0.00 C ATOM 796 CG LYS A 48 -0.850 -3.955 11.153 1.00 0.00 C ATOM 797 CD LYS A 48 -2.214 -3.583 11.751 1.00 0.00 C ATOM 798 CE LYS A 48 -2.004 -2.991 13.156 1.00 0.00 C ATOM 799 NZ LYS A 48 -3.313 -2.639 13.766 1.00 0.00 N ATOM 0 H LYS A 48 0.624 -2.945 8.873 1.00 0.00 H new ATOM 0 HA LYS A 48 0.896 -5.501 10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.535 -3.923 9.094 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.665 -5.495 9.858 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.326 -4.638 11.822 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.231 -3.063 11.060 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.721 -2.861 11.111 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.853 -4.464 11.806 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.482 -3.710 13.787 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.373 -2.104 13.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.167 -2.336 14.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.750 -1.865 13.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.939 -3.470 13.749 1.00 0.00 H new ATOM 813 N ILE A 49 -0.090 -5.396 6.867 1.00 0.00 N ATOM 814 CA ILE A 49 -0.236 -6.234 5.698 1.00 0.00 C ATOM 815 C ILE A 49 1.085 -6.928 5.440 1.00 0.00 C ATOM 816 O ILE A 49 1.144 -8.147 5.305 1.00 0.00 O ATOM 817 CB ILE A 49 -0.625 -5.383 4.469 1.00 0.00 C ATOM 818 CG1 ILE A 49 -2.004 -4.773 4.683 1.00 0.00 C ATOM 819 CG2 ILE A 49 -0.685 -6.265 3.213 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.324 -3.806 3.537 1.00 0.00 C ATOM 0 H ILE A 49 -0.213 -4.397 6.704 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.023 -6.968 5.870 1.00 0.00 H new ATOM 0 HB ILE A 49 0.123 -4.601 4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.757 -5.560 4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.035 -4.246 5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.960 -5.655 2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.291 -6.718 3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.429 -7.049 3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.311 -3.371 3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.578 -3.012 3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.311 -4.346 2.591 1.00 0.00 H new ATOM 832 N ALA A 50 2.153 -6.152 5.482 1.00 0.00 N ATOM 833 CA ALA A 50 3.482 -6.690 5.294 1.00 0.00 C ATOM 834 C ALA A 50 3.821 -7.691 6.375 1.00 0.00 C ATOM 835 O ALA A 50 4.279 -8.795 6.084 1.00 0.00 O ATOM 836 CB ALA A 50 4.512 -5.564 5.294 1.00 0.00 C ATOM 0 H ALA A 50 2.122 -5.146 5.645 1.00 0.00 H new ATOM 0 HA ALA A 50 3.505 -7.200 4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.508 -5.982 5.152 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.291 -4.869 4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.473 -5.035 6.246 1.00 0.00 H new ATOM 842 N TYR A 51 3.618 -7.288 7.621 1.00 0.00 N ATOM 843 CA TYR A 51 3.951 -8.128 8.758 1.00 0.00 C ATOM 844 C TYR A 51 3.153 -9.416 8.737 1.00 0.00 C ATOM 845 O TYR A 51 3.708 -10.503 8.880 1.00 0.00 O ATOM 846 CB TYR A 51 3.675 -7.371 10.070 1.00 0.00 C ATOM 847 CG TYR A 51 3.937 -8.277 11.254 1.00 0.00 C ATOM 848 CD1 TYR A 51 5.250 -8.556 11.643 1.00 0.00 C ATOM 849 CD2 TYR A 51 2.865 -8.847 11.952 1.00 0.00 C ATOM 850 CE1 TYR A 51 5.492 -9.400 12.729 1.00 0.00 C ATOM 851 CE2 TYR A 51 3.108 -9.690 13.036 1.00 0.00 C ATOM 852 CZ TYR A 51 4.420 -9.968 13.423 1.00 0.00 C ATOM 853 OH TYR A 51 4.655 -10.801 14.489 1.00 0.00 O ATOM 0 H TYR A 51 3.223 -6.381 7.869 1.00 0.00 H new ATOM 0 HA TYR A 51 5.010 -8.377 8.695 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.310 -6.487 10.130 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.642 -7.023 10.089 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.077 -8.119 11.104 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.850 -8.634 11.651 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.506 -9.614 13.032 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.281 -10.128 13.576 1.00 0.00 H new ATOM 0 HH TYR A 51 3.801 -11.108 14.859 1.00 0.00 H new ATOM 863 N TYR A 52 1.843 -9.299 8.579 1.00 0.00 N ATOM 864 CA TYR A 52 0.998 -10.481 8.574 1.00 0.00 C ATOM 865 C TYR A 52 1.174 -11.287 7.316 1.00 0.00 C ATOM 866 O TYR A 52 1.370 -12.502 7.366 1.00 0.00 O ATOM 867 CB TYR A 52 -0.467 -10.118 8.759 1.00 0.00 C ATOM 868 CG TYR A 52 -0.689 -9.661 10.175 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.323 -10.489 11.246 1.00 0.00 C ATOM 870 CD2 TYR A 52 -1.259 -8.415 10.421 1.00 0.00 C ATOM 871 CE1 TYR A 52 -0.529 -10.065 12.556 1.00 0.00 C ATOM 872 CE2 TYR A 52 -1.467 -7.994 11.729 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.102 -8.817 12.799 1.00 0.00 C ATOM 874 OH TYR A 52 -1.302 -8.391 14.090 1.00 0.00 O ATOM 0 H TYR A 52 1.350 -8.415 8.455 1.00 0.00 H new ATOM 0 HA TYR A 52 1.313 -11.094 9.418 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.749 -9.330 8.061 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.098 -10.979 8.539 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.119 -11.456 11.055 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.539 -7.776 9.596 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.246 -10.701 13.382 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.912 -7.028 11.920 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.709 -7.500 14.081 1.00 0.00 H new ATOM 884 N LEU A 53 1.125 -10.613 6.187 1.00 0.00 N ATOM 885 CA LEU A 53 1.296 -11.279 4.918 1.00 0.00 C ATOM 886 C LEU A 53 2.704 -11.853 4.846 1.00 0.00 C ATOM 887 O LEU A 53 2.933 -12.895 4.230 1.00 0.00 O ATOM 888 CB LEU A 53 0.994 -10.320 3.743 1.00 0.00 C ATOM 889 CG LEU A 53 0.620 -11.080 2.448 1.00 0.00 C ATOM 890 CD1 LEU A 53 1.859 -11.327 1.605 1.00 0.00 C ATOM 891 CD2 LEU A 53 -0.079 -12.411 2.761 1.00 0.00 C ATOM 0 H LEU A 53 0.968 -9.607 6.124 1.00 0.00 H new ATOM 0 HA LEU A 53 0.584 -12.100 4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.176 -9.655 4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.866 -9.693 3.555 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.077 -10.458 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.581 -11.862 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.314 -10.373 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.573 -11.923 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.328 -12.919 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.586 -13.041 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.992 -12.219 3.325 1.00 0.00 H new ATOM 903 N ASN A 54 3.653 -11.146 5.464 1.00 0.00 N ATOM 904 CA ASN A 54 5.062 -11.536 5.452 1.00 0.00 C ATOM 905 C ASN A 54 5.645 -11.364 4.077 1.00 0.00 C ATOM 906 O ASN A 54 5.884 -12.341 3.345 1.00 0.00 O ATOM 907 CB ASN A 54 5.285 -12.954 5.985 1.00 0.00 C ATOM 908 CG ASN A 54 5.651 -12.894 7.459 1.00 0.00 C ATOM 909 OD1 ASN A 54 4.718 -12.906 8.352 1.00 0.00 O flip ATOM 910 ND2 ASN A 54 6.836 -12.813 7.804 1.00 0.00 N flip ATOM 0 H ASN A 54 3.466 -10.289 5.985 1.00 0.00 H new ATOM 0 HA ASN A 54 5.588 -10.869 6.135 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.383 -13.551 5.848 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.080 -13.444 5.422 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.573 -12.804 7.099 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.076 -12.756 8.794 1.00 0.00 H new ATOM 917 N THR A 55 5.735 -10.122 3.685 1.00 0.00 N ATOM 918 CA THR A 55 6.199 -9.739 2.382 1.00 0.00 C ATOM 919 C THR A 55 6.688 -8.296 2.451 1.00 0.00 C ATOM 920 O THR A 55 6.132 -7.487 3.208 1.00 0.00 O ATOM 921 CB THR A 55 5.046 -9.871 1.379 1.00 0.00 C ATOM 922 OG1 THR A 55 4.679 -11.242 1.265 1.00 0.00 O ATOM 923 CG2 THR A 55 5.462 -9.333 0.007 1.00 0.00 C ATOM 0 H THR A 55 5.482 -9.331 4.277 1.00 0.00 H new ATOM 0 HA THR A 55 7.017 -10.382 2.058 1.00 0.00 H new ATOM 0 HB THR A 55 4.197 -9.288 1.736 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.335 -11.797 1.737 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.631 -9.435 -0.691 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.734 -8.281 0.096 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.317 -9.899 -0.362 1.00 0.00 H new ATOM 931 N PRO A 56 7.706 -7.949 1.709 1.00 0.00 N ATOM 932 CA PRO A 56 8.245 -6.559 1.706 1.00 0.00 C ATOM 933 C PRO A 56 7.181 -5.567 1.282 1.00 0.00 C ATOM 934 O PRO A 56 6.368 -5.853 0.391 1.00 0.00 O ATOM 935 CB PRO A 56 9.363 -6.611 0.657 1.00 0.00 C ATOM 936 CG PRO A 56 9.749 -8.047 0.585 1.00 0.00 C ATOM 937 CD PRO A 56 8.460 -8.827 0.795 1.00 0.00 C ATOM 0 HA PRO A 56 8.588 -6.240 2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.016 -6.246 -0.310 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.209 -5.988 0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.198 -8.284 -0.379 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.486 -8.294 1.349 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.928 -8.992 -0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.645 -9.808 1.234 1.00 0.00 H new ATOM 945 N LEU A 57 7.248 -4.370 1.837 1.00 0.00 N ATOM 946 CA LEU A 57 6.323 -3.323 1.461 1.00 0.00 C ATOM 947 C LEU A 57 6.461 -3.066 -0.016 1.00 0.00 C ATOM 948 O LEU A 57 5.476 -2.848 -0.710 1.00 0.00 O ATOM 949 CB LEU A 57 6.612 -2.011 2.222 1.00 0.00 C ATOM 950 CG LEU A 57 5.860 -1.945 3.567 1.00 0.00 C ATOM 951 CD1 LEU A 57 4.346 -1.963 3.341 1.00 0.00 C ATOM 952 CD2 LEU A 57 6.266 -3.092 4.495 1.00 0.00 C ATOM 0 H LEU A 57 7.931 -4.102 2.546 1.00 0.00 H new ATOM 0 HA LEU A 57 5.314 -3.649 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.684 -1.925 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.323 -1.162 1.603 1.00 0.00 H new ATOM 0 HG LEU A 57 6.135 -1.007 4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.834 -1.916 4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.058 -1.104 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.066 -2.882 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.716 -3.013 5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.036 -4.045 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.336 -3.036 4.696 1.00 0.00 H new ATOM 964 N GLU A 58 7.687 -3.101 -0.493 1.00 0.00 N ATOM 965 CA GLU A 58 7.948 -2.847 -1.888 1.00 0.00 C ATOM 966 C GLU A 58 7.166 -3.823 -2.767 1.00 0.00 C ATOM 967 O GLU A 58 6.629 -3.437 -3.803 1.00 0.00 O ATOM 968 CB GLU A 58 9.451 -2.962 -2.184 1.00 0.00 C ATOM 969 CG GLU A 58 10.273 -2.348 -1.036 1.00 0.00 C ATOM 970 CD GLU A 58 10.616 -3.416 -0.016 1.00 0.00 C ATOM 971 OE1 GLU A 58 11.606 -4.091 -0.208 1.00 0.00 O ATOM 972 OE2 GLU A 58 9.884 -3.550 0.943 1.00 0.00 O ATOM 0 H GLU A 58 8.516 -3.303 0.066 1.00 0.00 H new ATOM 0 HA GLU A 58 7.622 -1.832 -2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.723 -4.009 -2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.684 -2.453 -3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.187 -1.902 -1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.707 -1.547 -0.560 1.00 0.00 H new ATOM 979 N ASP A 59 7.117 -5.090 -2.365 1.00 0.00 N ATOM 980 CA ASP A 59 6.370 -6.087 -3.140 1.00 0.00 C ATOM 981 C ASP A 59 4.876 -5.809 -3.140 1.00 0.00 C ATOM 982 O ASP A 59 4.210 -5.979 -4.164 1.00 0.00 O ATOM 983 CB ASP A 59 6.638 -7.527 -2.655 1.00 0.00 C ATOM 984 CG ASP A 59 7.887 -8.111 -3.290 1.00 0.00 C ATOM 985 OD1 ASP A 59 8.424 -7.494 -4.186 1.00 0.00 O ATOM 986 OD2 ASP A 59 8.282 -9.183 -2.888 1.00 0.00 O ATOM 0 H ASP A 59 7.573 -5.449 -1.527 1.00 0.00 H new ATOM 0 HA ASP A 59 6.735 -6.001 -4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.745 -7.531 -1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.781 -8.156 -2.893 1.00 0.00 H new ATOM 991 N ILE A 60 4.342 -5.449 -1.982 1.00 0.00 N ATOM 992 CA ILE A 60 2.897 -5.235 -1.840 1.00 0.00 C ATOM 993 C ILE A 60 2.514 -3.804 -2.187 1.00 0.00 C ATOM 994 O ILE A 60 1.496 -3.554 -2.839 1.00 0.00 O ATOM 995 CB ILE A 60 2.432 -5.585 -0.410 1.00 0.00 C ATOM 996 CG1 ILE A 60 3.169 -4.718 0.619 1.00 0.00 C ATOM 997 CG2 ILE A 60 2.719 -7.058 -0.111 1.00 0.00 C ATOM 998 CD1 ILE A 60 2.594 -4.976 2.021 1.00 0.00 C ATOM 0 H ILE A 60 4.878 -5.298 -1.128 1.00 0.00 H new ATOM 0 HA ILE A 60 2.393 -5.899 -2.543 1.00 0.00 H new ATOM 0 HB ILE A 60 1.361 -5.396 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.235 -4.947 0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.066 -3.664 0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.388 -7.295 0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.185 -7.685 -0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.790 -7.244 -0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.120 -4.359 2.749 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.533 -4.725 2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.721 -6.028 2.278 1.00 0.00 H new ATOM 1010 N PHE A 61 3.343 -2.877 -1.770 1.00 0.00 N ATOM 1011 CA PHE A 61 3.117 -1.470 -2.012 1.00 0.00 C ATOM 1012 C PHE A 61 4.182 -0.885 -2.892 1.00 0.00 C ATOM 1013 O PHE A 61 4.710 0.194 -2.620 1.00 0.00 O ATOM 1014 CB PHE A 61 2.970 -0.693 -0.694 1.00 0.00 C ATOM 1015 CG PHE A 61 1.572 -0.918 -0.175 1.00 0.00 C ATOM 1016 CD1 PHE A 61 0.507 -0.318 -0.833 1.00 0.00 C ATOM 1017 CD2 PHE A 61 1.334 -1.742 0.932 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -0.794 -0.526 -0.394 1.00 0.00 C ATOM 1019 CE2 PHE A 61 0.019 -1.955 1.368 1.00 0.00 C ATOM 1020 CZ PHE A 61 -1.039 -1.347 0.702 1.00 0.00 C ATOM 0 H PHE A 61 4.198 -3.077 -1.251 1.00 0.00 H new ATOM 0 HA PHE A 61 2.173 -1.375 -2.549 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.706 -1.034 0.034 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.150 0.370 -0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.691 0.313 -1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.159 -2.211 1.447 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.618 -0.049 -0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.172 -2.591 2.220 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.053 -1.512 1.036 1.00 0.00 H new