USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 598 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 42 CYS SG : rot -54:sc= 0.368 USER MOD Set 1.2: A 48 GLN : amide:sc= -0.947 K(o=-0.58,f=-1.1) USER MOD Single : A 1 GLU N :NH3+ -169:sc= -2.01! (180deg=-2.96!) USER MOD Single : A 2 SER OG : rot 180:sc= -0.289 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS :FLIP no HD1:sc= -0.645 F(o=-2.6,f=-0.64) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0105 K(o=-0.011,f=-1.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.0214 F(o=-1.5!,f=-0.021) USER MOD Single : A 37 SER OG : rot 80:sc= 0.781 USER MOD Single : A 40 CYS SG : rot -79:sc= -0.774! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -6.16! C(o=-6.2!,f=-21!) USER MOD Single : A 46 GLN : amide:sc= -1.62! C(o=-1.6!,f=-2.7!) USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.119 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -0.458 -30.552 9.174 1.00 0.00 N ATOM 2 CA GLU A 1 0.436 -31.590 8.589 1.00 0.00 C ATOM 3 C GLU A 1 -0.223 -32.958 8.721 1.00 0.00 C ATOM 4 O GLU A 1 0.373 -33.981 8.382 1.00 0.00 O ATOM 5 CB GLU A 1 1.776 -31.583 9.329 1.00 0.00 C ATOM 6 CG GLU A 1 2.472 -30.238 9.113 1.00 0.00 C ATOM 7 CD GLU A 1 3.838 -30.243 9.791 1.00 0.00 C ATOM 8 OE1 GLU A 1 4.106 -31.175 10.530 1.00 0.00 O ATOM 9 OE2 GLU A 1 4.595 -29.314 9.561 1.00 0.00 O ATOM 0 H1 GLU A 1 -0.104 -29.607 8.922 1.00 0.00 H new ATOM 0 H2 GLU A 1 -1.421 -30.672 8.800 1.00 0.00 H new ATOM 0 H3 GLU A 1 -0.474 -30.651 10.209 1.00 0.00 H new ATOM 0 HA GLU A 1 0.608 -31.375 7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.616 -31.755 10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.408 -32.394 8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.587 -30.046 8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.859 -29.433 9.518 1.00 0.00 H new ATOM 18 N SER A 2 -1.456 -32.970 9.215 1.00 0.00 N ATOM 19 CA SER A 2 -2.188 -34.219 9.388 1.00 0.00 C ATOM 20 C SER A 2 -2.782 -34.677 8.058 1.00 0.00 C ATOM 21 O SER A 2 -2.900 -33.889 7.120 1.00 0.00 O ATOM 22 CB SER A 2 -3.308 -34.026 10.412 1.00 0.00 C ATOM 23 OG SER A 2 -3.068 -34.865 11.534 1.00 0.00 O ATOM 0 H SER A 2 -1.967 -32.135 9.501 1.00 0.00 H new ATOM 0 HA SER A 2 -1.496 -34.982 9.746 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.353 -32.983 10.726 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.272 -34.266 9.963 1.00 0.00 H new ATOM 0 HG SER A 2 -3.783 -34.743 12.193 1.00 0.00 H new ATOM 29 N PRO A 3 -3.157 -35.926 7.961 1.00 0.00 N ATOM 30 CA PRO A 3 -3.753 -36.488 6.713 1.00 0.00 C ATOM 31 C PRO A 3 -5.142 -35.919 6.438 1.00 0.00 C ATOM 32 O PRO A 3 -5.604 -35.904 5.297 1.00 0.00 O ATOM 33 CB PRO A 3 -3.824 -37.994 6.983 1.00 0.00 C ATOM 34 CG PRO A 3 -3.822 -38.136 8.469 1.00 0.00 C ATOM 35 CD PRO A 3 -3.056 -36.938 9.024 1.00 0.00 C ATOM 0 HA PRO A 3 -3.162 -36.240 5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -4.725 -38.428 6.549 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -2.974 -38.512 6.539 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.840 -38.157 8.857 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -3.347 -39.071 8.768 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -3.494 -36.582 9.957 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -2.017 -37.192 9.236 1.00 0.00 H new ATOM 43 N LYS A 4 -5.800 -35.455 7.494 1.00 0.00 N ATOM 44 CA LYS A 4 -7.138 -34.888 7.364 1.00 0.00 C ATOM 45 C LYS A 4 -7.074 -33.488 6.761 1.00 0.00 C ATOM 46 O LYS A 4 -8.105 -32.876 6.479 1.00 0.00 O ATOM 47 CB LYS A 4 -7.809 -34.824 8.737 1.00 0.00 C ATOM 48 CG LYS A 4 -7.931 -36.237 9.314 1.00 0.00 C ATOM 49 CD LYS A 4 -7.708 -36.190 10.828 1.00 0.00 C ATOM 50 CE LYS A 4 -7.864 -37.596 11.413 1.00 0.00 C ATOM 51 NZ LYS A 4 -6.881 -37.787 12.518 1.00 0.00 N ATOM 0 H LYS A 4 -5.432 -35.460 8.445 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.721 -35.528 6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.226 -34.195 9.409 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.796 -34.369 8.650 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.916 -36.648 9.093 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.199 -36.896 8.848 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.713 -35.802 11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.424 -35.511 11.291 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.879 -37.736 11.786 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.704 -38.344 10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.987 -38.742 12.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.916 -37.671 12.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.054 -37.081 13.262 1.00 0.00 H new ATOM 65 N GLU A 5 -5.859 -32.986 6.568 1.00 0.00 N ATOM 66 CA GLU A 5 -5.674 -31.655 5.999 1.00 0.00 C ATOM 67 C GLU A 5 -5.920 -31.681 4.494 1.00 0.00 C ATOM 68 O GLU A 5 -5.717 -32.703 3.839 1.00 0.00 O ATOM 69 CB GLU A 5 -4.253 -31.160 6.280 1.00 0.00 C ATOM 70 CG GLU A 5 -4.004 -31.160 7.789 1.00 0.00 C ATOM 71 CD GLU A 5 -4.912 -30.142 8.469 1.00 0.00 C ATOM 72 OE1 GLU A 5 -5.418 -29.272 7.779 1.00 0.00 O ATOM 73 OE2 GLU A 5 -5.089 -30.246 9.672 1.00 0.00 O ATOM 0 H GLU A 5 -4.994 -33.476 6.795 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.391 -30.977 6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.527 -31.802 5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.120 -30.155 5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.190 -32.154 8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.960 -30.922 7.993 1.00 0.00 H new ATOM 80 N HIS A 6 -6.361 -30.551 3.952 1.00 0.00 N ATOM 81 CA HIS A 6 -6.635 -30.459 2.522 1.00 0.00 C ATOM 82 C HIS A 6 -5.381 -30.033 1.759 1.00 0.00 C ATOM 83 O HIS A 6 -4.284 -30.005 2.319 1.00 0.00 O ATOM 84 CB HIS A 6 -7.768 -29.461 2.272 1.00 0.00 C ATOM 85 CG HIS A 6 -7.449 -28.158 2.950 1.00 0.00 C ATOM 86 ND1 HIS A 6 -6.371 -27.313 2.857 1.00 0.00 N flip ATOM 87 CD2 HIS A 6 -8.307 -27.576 3.871 1.00 0.00 C flip ATOM 88 CE1 HIS A 6 -6.554 -26.225 3.704 1.00 0.00 C flip ATOM 89 NE2 HIS A 6 -7.735 -26.433 4.290 1.00 0.00 N flip ATOM 0 H HIS A 6 -6.535 -29.693 4.475 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.939 -31.442 2.162 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.898 -29.303 1.201 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.708 -29.860 2.652 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.260 -27.969 4.193 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.884 -25.391 3.855 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.153 -25.801 4.973 1.00 0.00 H new ATOM 98 N ASP A 7 -5.545 -29.717 0.476 1.00 0.00 N ATOM 99 CA ASP A 7 -4.411 -29.310 -0.351 1.00 0.00 C ATOM 100 C ASP A 7 -3.862 -27.937 0.060 1.00 0.00 C ATOM 101 O ASP A 7 -2.685 -27.831 0.403 1.00 0.00 O ATOM 102 CB ASP A 7 -4.791 -29.309 -1.839 1.00 0.00 C ATOM 103 CG ASP A 7 -6.292 -29.544 -2.017 1.00 0.00 C ATOM 104 OD1 ASP A 7 -6.799 -30.491 -1.438 1.00 0.00 O ATOM 105 OD2 ASP A 7 -6.910 -28.784 -2.743 1.00 0.00 O ATOM 0 H ASP A 7 -6.442 -29.734 -0.009 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.620 -30.043 -0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.512 -28.357 -2.290 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.232 -30.085 -2.362 1.00 0.00 H new ATOM 110 N PRO A 8 -4.659 -26.887 0.038 1.00 0.00 N ATOM 111 CA PRO A 8 -4.176 -25.525 0.427 1.00 0.00 C ATOM 112 C PRO A 8 -3.829 -25.433 1.917 1.00 0.00 C ATOM 113 O PRO A 8 -4.024 -24.399 2.555 1.00 0.00 O ATOM 114 CB PRO A 8 -5.348 -24.603 0.059 1.00 0.00 C ATOM 115 CG PRO A 8 -6.553 -25.476 0.072 1.00 0.00 C ATOM 116 CD PRO A 8 -6.084 -26.864 -0.352 1.00 0.00 C ATOM 0 HA PRO A 8 -3.250 -25.256 -0.082 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.446 -23.787 0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.200 -24.151 -0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.001 -25.504 1.065 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.314 -25.098 -0.611 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.649 -27.649 0.151 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.208 -27.019 -1.424 1.00 0.00 H new ATOM 124 N PHE A 9 -3.308 -26.526 2.466 1.00 0.00 N ATOM 125 CA PHE A 9 -2.935 -26.556 3.876 1.00 0.00 C ATOM 126 C PHE A 9 -1.743 -25.642 4.141 1.00 0.00 C ATOM 127 O PHE A 9 -1.728 -24.895 5.120 1.00 0.00 O ATOM 128 CB PHE A 9 -2.580 -27.986 4.287 1.00 0.00 C ATOM 129 CG PHE A 9 -2.137 -28.003 5.731 1.00 0.00 C ATOM 130 CD1 PHE A 9 -3.082 -27.873 6.756 1.00 0.00 C ATOM 131 CD2 PHE A 9 -0.781 -28.154 6.045 1.00 0.00 C ATOM 132 CE1 PHE A 9 -2.670 -27.893 8.095 1.00 0.00 C ATOM 133 CE2 PHE A 9 -0.369 -28.176 7.383 1.00 0.00 C ATOM 134 CZ PHE A 9 -1.315 -28.044 8.408 1.00 0.00 C ATOM 0 H PHE A 9 -3.136 -27.395 1.961 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.783 -26.203 4.463 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.443 -28.638 4.153 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.786 -28.372 3.648 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.128 -27.757 6.515 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.052 -28.254 5.254 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.399 -27.792 8.886 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.677 -28.295 7.625 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.998 -28.059 9.440 1.00 0.00 H new ATOM 144 N THR A 10 -0.744 -25.711 3.267 1.00 0.00 N ATOM 145 CA THR A 10 0.452 -24.891 3.422 1.00 0.00 C ATOM 146 C THR A 10 0.144 -23.417 3.167 1.00 0.00 C ATOM 147 O THR A 10 0.643 -22.543 3.876 1.00 0.00 O ATOM 148 CB THR A 10 1.534 -25.361 2.446 1.00 0.00 C ATOM 149 OG1 THR A 10 1.807 -26.736 2.672 1.00 0.00 O ATOM 150 CG2 THR A 10 2.807 -24.542 2.661 1.00 0.00 C ATOM 0 H THR A 10 -0.738 -26.321 2.450 1.00 0.00 H new ATOM 0 HA THR A 10 0.807 -24.999 4.447 1.00 0.00 H new ATOM 0 HB THR A 10 1.186 -25.224 1.422 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.498 -27.039 2.047 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.577 -24.877 1.966 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.595 -23.487 2.487 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.158 -24.677 3.684 1.00 0.00 H new ATOM 158 N TYR A 11 -0.673 -23.151 2.147 1.00 0.00 N ATOM 159 CA TYR A 11 -1.037 -21.779 1.794 1.00 0.00 C ATOM 160 C TYR A 11 -2.517 -21.522 2.057 1.00 0.00 C ATOM 161 O TYR A 11 -3.375 -22.308 1.655 1.00 0.00 O ATOM 162 CB TYR A 11 -0.731 -21.529 0.317 1.00 0.00 C ATOM 163 CG TYR A 11 0.744 -21.731 0.068 1.00 0.00 C ATOM 164 CD1 TYR A 11 1.650 -20.702 0.352 1.00 0.00 C ATOM 165 CD2 TYR A 11 1.207 -22.948 -0.450 1.00 0.00 C ATOM 166 CE1 TYR A 11 3.017 -20.889 0.119 1.00 0.00 C ATOM 167 CE2 TYR A 11 2.575 -23.134 -0.682 1.00 0.00 C ATOM 168 CZ TYR A 11 3.480 -22.104 -0.398 1.00 0.00 C ATOM 169 OH TYR A 11 4.828 -22.287 -0.629 1.00 0.00 O ATOM 0 H TYR A 11 -1.094 -23.865 1.553 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.452 -21.099 2.413 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.312 -22.209 -0.306 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.022 -20.516 0.041 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.294 -19.764 0.751 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.509 -23.742 -0.670 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.715 -20.095 0.338 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.932 -24.072 -1.080 1.00 0.00 H new ATOM 0 HH TYR A 11 4.979 -23.186 -0.988 1.00 0.00 H new ATOM 179 N ASP A 12 -2.806 -20.410 2.725 1.00 0.00 N ATOM 180 CA ASP A 12 -4.186 -20.050 3.033 1.00 0.00 C ATOM 181 C ASP A 12 -4.360 -18.534 3.003 1.00 0.00 C ATOM 182 O ASP A 12 -5.372 -18.024 2.523 1.00 0.00 O ATOM 183 CB ASP A 12 -4.570 -20.583 4.416 1.00 0.00 C ATOM 184 CG ASP A 12 -6.056 -20.358 4.666 1.00 0.00 C ATOM 185 OD1 ASP A 12 -6.842 -21.187 4.236 1.00 0.00 O ATOM 186 OD2 ASP A 12 -6.389 -19.360 5.286 1.00 0.00 O ATOM 0 H ASP A 12 -2.109 -19.746 3.062 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.836 -20.496 2.280 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.338 -21.646 4.482 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.983 -20.080 5.185 1.00 0.00 H new ATOM 191 N TYR A 13 -3.364 -17.821 3.518 1.00 0.00 N ATOM 192 CA TYR A 13 -3.410 -16.363 3.547 1.00 0.00 C ATOM 193 C TYR A 13 -2.972 -15.794 2.203 1.00 0.00 C ATOM 194 O TYR A 13 -2.376 -14.721 2.139 1.00 0.00 O ATOM 195 CB TYR A 13 -2.488 -15.835 4.652 1.00 0.00 C ATOM 196 CG TYR A 13 -3.005 -16.280 6.001 1.00 0.00 C ATOM 197 CD1 TYR A 13 -2.918 -17.628 6.374 1.00 0.00 C ATOM 198 CD2 TYR A 13 -3.573 -15.347 6.879 1.00 0.00 C ATOM 199 CE1 TYR A 13 -3.399 -18.041 7.624 1.00 0.00 C ATOM 200 CE2 TYR A 13 -4.052 -15.761 8.128 1.00 0.00 C ATOM 201 CZ TYR A 13 -3.966 -17.108 8.500 1.00 0.00 C ATOM 202 OH TYR A 13 -4.441 -17.516 9.730 1.00 0.00 O ATOM 0 H TYR A 13 -2.518 -18.226 3.919 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.434 -16.050 3.748 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.474 -16.204 4.500 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.441 -14.747 4.611 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.481 -18.348 5.699 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.641 -14.308 6.592 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.332 -19.080 7.912 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.488 -15.041 8.805 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.801 -16.744 10.214 1.00 0.00 H new ATOM 212 N GLN A 14 -3.266 -16.524 1.132 1.00 0.00 N ATOM 213 CA GLN A 14 -2.883 -16.089 -0.206 1.00 0.00 C ATOM 214 C GLN A 14 -3.343 -14.656 -0.469 1.00 0.00 C ATOM 215 O GLN A 14 -2.548 -13.807 -0.871 1.00 0.00 O ATOM 216 CB GLN A 14 -3.508 -17.019 -1.248 1.00 0.00 C ATOM 217 CG GLN A 14 -3.002 -18.447 -1.031 1.00 0.00 C ATOM 218 CD GLN A 14 -3.722 -19.407 -1.973 1.00 0.00 C ATOM 219 OE1 GLN A 14 -4.795 -19.089 -2.486 1.00 0.00 O ATOM 220 NE2 GLN A 14 -3.193 -20.572 -2.230 1.00 0.00 N ATOM 0 H GLN A 14 -3.765 -17.413 1.164 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.796 -16.125 -0.278 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.595 -16.992 -1.169 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.253 -16.681 -2.252 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.927 -18.491 -1.206 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.169 -18.747 0.004 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.304 -20.834 -1.804 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.669 -21.221 -2.857 1.00 0.00 H new ATOM 229 N SER A 15 -4.625 -14.392 -0.243 1.00 0.00 N ATOM 230 CA SER A 15 -5.168 -13.055 -0.469 1.00 0.00 C ATOM 231 C SER A 15 -4.884 -12.136 0.718 1.00 0.00 C ATOM 232 O SER A 15 -4.739 -10.925 0.556 1.00 0.00 O ATOM 233 CB SER A 15 -6.677 -13.137 -0.694 1.00 0.00 C ATOM 234 OG SER A 15 -7.314 -13.499 0.523 1.00 0.00 O ATOM 0 H SER A 15 -5.302 -15.077 0.093 1.00 0.00 H new ATOM 0 HA SER A 15 -4.683 -12.641 -1.353 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.057 -12.177 -1.045 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.902 -13.871 -1.468 1.00 0.00 H new ATOM 0 HG SER A 15 -8.282 -13.551 0.383 1.00 0.00 H new ATOM 240 N LEU A 16 -4.818 -12.718 1.907 1.00 0.00 N ATOM 241 CA LEU A 16 -4.566 -11.942 3.118 1.00 0.00 C ATOM 242 C LEU A 16 -3.074 -11.659 3.290 1.00 0.00 C ATOM 243 O LEU A 16 -2.669 -10.973 4.228 1.00 0.00 O ATOM 244 CB LEU A 16 -5.095 -12.697 4.340 1.00 0.00 C ATOM 245 CG LEU A 16 -6.550 -13.111 4.100 1.00 0.00 C ATOM 246 CD1 LEU A 16 -7.074 -13.856 5.329 1.00 0.00 C ATOM 247 CD2 LEU A 16 -7.410 -11.868 3.857 1.00 0.00 C ATOM 0 H LEU A 16 -4.934 -13.720 2.061 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.086 -10.989 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.482 -13.579 4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.028 -12.066 5.227 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.600 -13.760 3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.110 -14.152 5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.466 -14.744 5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.020 -13.204 6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.444 -12.168 3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.361 -11.215 4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.039 -11.334 2.982 1.00 0.00 H new ATOM 259 N GLN A 17 -2.263 -12.202 2.388 1.00 0.00 N ATOM 260 CA GLN A 17 -0.818 -12.008 2.458 1.00 0.00 C ATOM 261 C GLN A 17 -0.424 -10.600 2.010 1.00 0.00 C ATOM 262 O GLN A 17 0.316 -9.905 2.704 1.00 0.00 O ATOM 263 CB GLN A 17 -0.115 -13.041 1.576 1.00 0.00 C ATOM 264 CG GLN A 17 0.469 -14.153 2.450 1.00 0.00 C ATOM 265 CD GLN A 17 0.871 -15.341 1.582 1.00 0.00 C ATOM 266 OE1 GLN A 17 0.746 -15.264 0.284 1.00 0.00 O flip ATOM 267 NE2 GLN A 17 1.314 -16.367 2.099 1.00 0.00 N flip ATOM 0 H GLN A 17 -2.578 -12.776 1.606 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.510 -12.135 3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.820 -13.461 0.859 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.678 -12.563 1.001 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.336 -13.781 2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.265 -14.466 3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.411 -16.426 3.113 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.584 -17.158 1.514 1.00 0.00 H new ATOM 276 N ILE A 18 -0.910 -10.188 0.842 1.00 0.00 N ATOM 277 CA ILE A 18 -0.586 -8.863 0.312 1.00 0.00 C ATOM 278 C ILE A 18 -1.675 -7.852 0.669 1.00 0.00 C ATOM 279 O ILE A 18 -1.533 -6.656 0.411 1.00 0.00 O ATOM 280 CB ILE A 18 -0.436 -8.944 -1.215 1.00 0.00 C ATOM 281 CG1 ILE A 18 0.358 -10.204 -1.588 1.00 0.00 C ATOM 282 CG2 ILE A 18 0.295 -7.706 -1.748 1.00 0.00 C ATOM 283 CD1 ILE A 18 1.679 -10.250 -0.806 1.00 0.00 C ATOM 0 H ILE A 18 -1.524 -10.745 0.248 1.00 0.00 H new ATOM 0 HA ILE A 18 0.351 -8.531 0.758 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.429 -8.988 -1.662 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.233 -11.093 -1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.561 -10.211 -2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.393 -7.779 -2.831 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.273 -6.811 -1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.286 -7.646 -1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.233 -11.148 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.275 -9.369 -1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.468 -10.265 0.263 1.00 0.00 H new ATOM 295 N GLY A 19 -2.762 -8.340 1.256 1.00 0.00 N ATOM 296 CA GLY A 19 -3.875 -7.471 1.635 1.00 0.00 C ATOM 297 C GLY A 19 -3.396 -6.240 2.401 1.00 0.00 C ATOM 298 O GLY A 19 -2.895 -5.286 1.806 1.00 0.00 O ATOM 0 H GLY A 19 -2.898 -9.326 1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.412 -7.156 0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.580 -8.030 2.250 1.00 0.00 H new ATOM 302 N GLY A 20 -3.575 -6.267 3.722 1.00 0.00 N ATOM 303 CA GLY A 20 -3.179 -5.153 4.585 1.00 0.00 C ATOM 304 C GLY A 20 -1.914 -4.459 4.085 1.00 0.00 C ATOM 305 O GLY A 20 -1.739 -3.256 4.288 1.00 0.00 O ATOM 0 H GLY A 20 -3.994 -7.052 4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.992 -4.429 4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.014 -5.521 5.598 1.00 0.00 H new ATOM 309 N LEU A 21 -1.033 -5.213 3.440 1.00 0.00 N ATOM 310 CA LEU A 21 0.207 -4.640 2.930 1.00 0.00 C ATOM 311 C LEU A 21 -0.079 -3.573 1.876 1.00 0.00 C ATOM 312 O LEU A 21 0.428 -2.452 1.962 1.00 0.00 O ATOM 313 CB LEU A 21 1.080 -5.741 2.323 1.00 0.00 C ATOM 314 CG LEU A 21 2.192 -6.111 3.306 1.00 0.00 C ATOM 315 CD1 LEU A 21 1.574 -6.576 4.626 1.00 0.00 C ATOM 316 CD2 LEU A 21 3.038 -7.241 2.715 1.00 0.00 C ATOM 0 H LEU A 21 -1.151 -6.210 3.259 1.00 0.00 H new ATOM 0 HA LEU A 21 0.734 -4.173 3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.473 -6.618 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.511 -5.400 1.381 1.00 0.00 H new ATOM 0 HG LEU A 21 2.821 -5.240 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.367 -6.840 5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.970 -5.773 5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.944 -7.447 4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.831 -7.506 3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.407 -8.112 2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.479 -6.912 1.774 1.00 0.00 H new ATOM 328 N VAL A 22 -0.890 -3.922 0.882 1.00 0.00 N ATOM 329 CA VAL A 22 -1.220 -2.973 -0.173 1.00 0.00 C ATOM 330 C VAL A 22 -2.081 -1.841 0.366 1.00 0.00 C ATOM 331 O VAL A 22 -1.775 -0.671 0.152 1.00 0.00 O ATOM 332 CB VAL A 22 -1.969 -3.682 -1.301 1.00 0.00 C ATOM 333 CG1 VAL A 22 -2.720 -2.648 -2.143 1.00 0.00 C ATOM 334 CG2 VAL A 22 -0.970 -4.427 -2.185 1.00 0.00 C ATOM 0 H VAL A 22 -1.324 -4.840 0.786 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.288 -2.556 -0.555 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.679 -4.391 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.254 -3.153 -2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.432 -2.114 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.009 -1.939 -2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.503 -4.933 -2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.260 -3.717 -2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.433 -5.163 -1.587 1.00 0.00 H new ATOM 344 N ILE A 23 -3.152 -2.195 1.073 1.00 0.00 N ATOM 345 CA ILE A 23 -4.048 -1.188 1.633 1.00 0.00 C ATOM 346 C ILE A 23 -3.276 -0.226 2.522 1.00 0.00 C ATOM 347 O ILE A 23 -3.432 0.991 2.422 1.00 0.00 O ATOM 348 CB ILE A 23 -5.146 -1.862 2.453 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.936 -2.817 1.557 1.00 0.00 C ATOM 350 CG2 ILE A 23 -6.086 -0.796 3.021 1.00 0.00 C ATOM 351 CD1 ILE A 23 -6.834 -3.702 2.421 1.00 0.00 C ATOM 0 H ILE A 23 -3.418 -3.160 1.270 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.497 -0.632 0.810 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.697 -2.422 3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.540 -2.251 0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.253 -3.434 0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.870 -1.277 3.606 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.522 -0.116 3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.537 -0.235 2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.397 -4.383 1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.220 -4.278 3.113 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.527 -3.077 2.985 1.00 0.00 H new ATOM 363 N ALA A 24 -2.432 -0.777 3.384 1.00 0.00 N ATOM 364 CA ALA A 24 -1.633 0.044 4.279 1.00 0.00 C ATOM 365 C ALA A 24 -0.807 1.039 3.474 1.00 0.00 C ATOM 366 O ALA A 24 -0.609 2.183 3.888 1.00 0.00 O ATOM 367 CB ALA A 24 -0.703 -0.846 5.104 1.00 0.00 C ATOM 0 H ALA A 24 -2.284 -1.782 3.481 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.298 0.590 4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.106 -0.227 5.773 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.296 -1.547 5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.043 -1.400 4.437 1.00 0.00 H new ATOM 373 N GLY A 25 -0.323 0.587 2.324 1.00 0.00 N ATOM 374 CA GLY A 25 0.487 1.436 1.463 1.00 0.00 C ATOM 375 C GLY A 25 -0.304 2.638 0.947 1.00 0.00 C ATOM 376 O GLY A 25 0.236 3.737 0.842 1.00 0.00 O ATOM 0 H GLY A 25 -0.476 -0.357 1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.361 1.785 2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.854 0.853 0.619 1.00 0.00 H new ATOM 380 N ILE A 26 -1.577 2.425 0.610 1.00 0.00 N ATOM 381 CA ILE A 26 -2.402 3.514 0.089 1.00 0.00 C ATOM 382 C ILE A 26 -2.623 4.598 1.137 1.00 0.00 C ATOM 383 O ILE A 26 -2.522 5.780 0.829 1.00 0.00 O ATOM 384 CB ILE A 26 -3.770 2.991 -0.371 1.00 0.00 C ATOM 385 CG1 ILE A 26 -3.604 1.720 -1.211 1.00 0.00 C ATOM 386 CG2 ILE A 26 -4.468 4.058 -1.215 1.00 0.00 C ATOM 387 CD1 ILE A 26 -2.499 1.915 -2.250 1.00 0.00 C ATOM 0 H ILE A 26 -2.052 1.525 0.687 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.865 3.940 -0.758 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.368 2.761 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.361 0.877 -0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.543 1.479 -1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.439 3.686 -1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.606 4.960 -0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.857 4.290 -2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.390 1.005 -2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.759 2.745 -2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.559 2.134 -1.744 1.00 0.00 H new ATOM 399 N LEU A 27 -2.934 4.198 2.367 1.00 0.00 N ATOM 400 CA LEU A 27 -3.182 5.173 3.432 1.00 0.00 C ATOM 401 C LEU A 27 -1.952 6.051 3.684 1.00 0.00 C ATOM 402 O LEU A 27 -2.059 7.272 3.771 1.00 0.00 O ATOM 403 CB LEU A 27 -3.577 4.442 4.719 1.00 0.00 C ATOM 404 CG LEU A 27 -4.709 3.455 4.421 1.00 0.00 C ATOM 405 CD1 LEU A 27 -5.101 2.717 5.704 1.00 0.00 C ATOM 406 CD2 LEU A 27 -5.924 4.213 3.879 1.00 0.00 C ATOM 0 H LEU A 27 -3.020 3.222 2.651 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.997 5.823 3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.716 3.912 5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.896 5.160 5.474 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.369 2.734 3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.907 2.015 5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.239 2.172 6.088 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.437 3.437 6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.728 3.508 3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.262 4.937 4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.648 4.734 2.962 1.00 0.00 H new ATOM 418 N PHE A 28 -0.794 5.417 3.798 1.00 0.00 N ATOM 419 CA PHE A 28 0.458 6.128 4.034 1.00 0.00 C ATOM 420 C PHE A 28 0.876 6.920 2.795 1.00 0.00 C ATOM 421 O PHE A 28 1.414 8.017 2.907 1.00 0.00 O ATOM 422 CB PHE A 28 1.565 5.133 4.400 1.00 0.00 C ATOM 423 CG PHE A 28 1.552 4.875 5.892 1.00 0.00 C ATOM 424 CD1 PHE A 28 0.366 4.484 6.525 1.00 0.00 C ATOM 425 CD2 PHE A 28 2.728 5.029 6.642 1.00 0.00 C ATOM 426 CE1 PHE A 28 0.352 4.246 7.902 1.00 0.00 C ATOM 427 CE2 PHE A 28 2.711 4.789 8.022 1.00 0.00 C ATOM 428 CZ PHE A 28 1.524 4.398 8.652 1.00 0.00 C ATOM 0 H PHE A 28 -0.694 4.404 3.731 1.00 0.00 H new ATOM 0 HA PHE A 28 0.303 6.824 4.859 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.419 4.198 3.859 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.535 5.528 4.099 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.539 4.366 5.948 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.644 5.332 6.156 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.564 3.944 8.388 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.615 4.906 8.601 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.512 4.214 9.716 1.00 0.00 H new ATOM 438 N ILE A 29 0.620 6.357 1.616 1.00 0.00 N ATOM 439 CA ILE A 29 0.967 7.028 0.364 1.00 0.00 C ATOM 440 C ILE A 29 0.116 8.273 0.219 1.00 0.00 C ATOM 441 O ILE A 29 0.615 9.355 -0.097 1.00 0.00 O ATOM 442 CB ILE A 29 0.742 6.097 -0.826 1.00 0.00 C ATOM 443 CG1 ILE A 29 1.951 5.171 -0.980 1.00 0.00 C ATOM 444 CG2 ILE A 29 0.571 6.925 -2.100 1.00 0.00 C ATOM 445 CD1 ILE A 29 1.597 4.020 -1.925 1.00 0.00 C ATOM 0 H ILE A 29 0.177 5.445 1.501 1.00 0.00 H new ATOM 0 HA ILE A 29 2.022 7.303 0.385 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.156 5.503 -0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.802 5.729 -1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.248 4.779 -0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.411 6.259 -2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.288 7.587 -1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.468 7.520 -2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.458 3.361 -2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.759 3.457 -1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.321 4.422 -2.900 1.00 0.00 H new ATOM 457 N LEU A 30 -1.164 8.126 0.527 1.00 0.00 N ATOM 458 CA LEU A 30 -2.062 9.246 0.512 1.00 0.00 C ATOM 459 C LEU A 30 -1.563 10.156 1.592 1.00 0.00 C ATOM 460 O LEU A 30 -1.635 11.373 1.500 1.00 0.00 O ATOM 461 CB LEU A 30 -3.504 8.819 0.802 1.00 0.00 C ATOM 462 CG LEU A 30 -4.293 8.735 -0.504 1.00 0.00 C ATOM 463 CD1 LEU A 30 -5.540 7.878 -0.282 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.712 10.144 -0.939 1.00 0.00 C ATOM 0 H LEU A 30 -1.594 7.239 0.789 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.080 9.726 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.512 7.852 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.976 9.533 1.477 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.673 8.287 -1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.108 7.814 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.243 6.877 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.160 8.331 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.275 10.085 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.336 10.593 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.824 10.757 -1.090 1.00 0.00 H new ATOM 476 N GLY A 31 -1.051 9.513 2.633 1.00 0.00 N ATOM 477 CA GLY A 31 -0.518 10.244 3.780 1.00 0.00 C ATOM 478 C GLY A 31 0.603 11.196 3.358 1.00 0.00 C ATOM 479 O GLY A 31 0.579 12.382 3.691 1.00 0.00 O ATOM 0 H GLY A 31 -0.992 8.498 2.709 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.318 10.809 4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.140 9.539 4.520 1.00 0.00 H new ATOM 483 N ILE A 32 1.591 10.671 2.636 1.00 0.00 N ATOM 484 CA ILE A 32 2.719 11.485 2.189 1.00 0.00 C ATOM 485 C ILE A 32 2.276 12.558 1.198 1.00 0.00 C ATOM 486 O ILE A 32 2.682 13.713 1.305 1.00 0.00 O ATOM 487 CB ILE A 32 3.768 10.595 1.526 1.00 0.00 C ATOM 488 CG1 ILE A 32 4.313 9.593 2.546 1.00 0.00 C ATOM 489 CG2 ILE A 32 4.913 11.464 1.003 1.00 0.00 C ATOM 490 CD1 ILE A 32 5.104 8.505 1.819 1.00 0.00 C ATOM 0 H ILE A 32 1.634 9.693 2.350 1.00 0.00 H new ATOM 0 HA ILE A 32 3.142 11.977 3.065 1.00 0.00 H new ATOM 0 HB ILE A 32 3.312 10.053 0.697 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.953 10.103 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.492 9.147 3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.663 10.831 0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.526 12.176 0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.367 12.006 1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.493 7.791 2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.451 7.988 1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.934 8.959 1.277 1.00 0.00 H new ATOM 502 N LEU A 33 1.444 12.175 0.235 1.00 0.00 N ATOM 503 CA LEU A 33 0.965 13.129 -0.761 1.00 0.00 C ATOM 504 C LEU A 33 0.120 14.203 -0.094 1.00 0.00 C ATOM 505 O LEU A 33 0.276 15.392 -0.367 1.00 0.00 O ATOM 506 CB LEU A 33 0.128 12.409 -1.823 1.00 0.00 C ATOM 507 CG LEU A 33 0.995 11.389 -2.571 1.00 0.00 C ATOM 508 CD1 LEU A 33 0.120 10.609 -3.553 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.113 12.103 -3.345 1.00 0.00 C ATOM 0 H LEU A 33 1.091 11.225 0.123 1.00 0.00 H new ATOM 0 HA LEU A 33 1.828 13.594 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.716 11.905 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.284 13.133 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 33 1.445 10.708 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.732 9.882 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.666 10.089 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.330 11.299 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.720 11.366 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.673 12.792 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.740 12.659 -2.648 1.00 0.00 H new ATOM 521 N ILE A 34 -0.778 13.768 0.775 1.00 0.00 N ATOM 522 CA ILE A 34 -1.662 14.697 1.481 1.00 0.00 C ATOM 523 C ILE A 34 -0.869 15.698 2.323 1.00 0.00 C ATOM 524 O ILE A 34 -1.156 16.894 2.307 1.00 0.00 O ATOM 525 CB ILE A 34 -2.613 13.934 2.403 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.718 13.276 1.574 1.00 0.00 C ATOM 527 CG2 ILE A 34 -3.245 14.907 3.401 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.396 12.189 2.411 1.00 0.00 C ATOM 0 H ILE A 34 -0.918 12.786 1.011 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.227 15.239 0.722 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.055 13.167 2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.450 14.022 1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.299 12.844 0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.923 14.364 4.059 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.462 15.378 3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.800 15.673 2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.184 11.717 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.659 11.439 2.699 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.828 12.636 3.307 1.00 0.00 H new ATOM 540 N VAL A 35 0.115 15.203 3.067 1.00 0.00 N ATOM 541 CA VAL A 35 0.920 16.073 3.921 1.00 0.00 C ATOM 542 C VAL A 35 1.563 17.193 3.107 1.00 0.00 C ATOM 543 O VAL A 35 1.431 18.370 3.443 1.00 0.00 O ATOM 544 CB VAL A 35 2.013 15.255 4.612 1.00 0.00 C ATOM 545 CG1 VAL A 35 3.001 16.196 5.303 1.00 0.00 C ATOM 546 CG2 VAL A 35 1.380 14.330 5.654 1.00 0.00 C ATOM 0 H VAL A 35 0.373 14.217 3.097 1.00 0.00 H new ATOM 0 HA VAL A 35 0.264 16.518 4.669 1.00 0.00 H new ATOM 0 HB VAL A 35 2.540 14.659 3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.778 15.611 5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.456 16.854 4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.474 16.795 6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.160 13.748 6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.850 14.927 6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.678 13.655 5.163 1.00 0.00 H new ATOM 556 N LEU A 36 2.252 16.823 2.034 1.00 0.00 N ATOM 557 CA LEU A 36 2.904 17.811 1.180 1.00 0.00 C ATOM 558 C LEU A 36 1.866 18.686 0.481 1.00 0.00 C ATOM 559 O LEU A 36 2.098 19.871 0.241 1.00 0.00 O ATOM 560 CB LEU A 36 3.765 17.106 0.129 1.00 0.00 C ATOM 561 CG LEU A 36 4.776 16.184 0.820 1.00 0.00 C ATOM 562 CD1 LEU A 36 5.593 15.444 -0.238 1.00 0.00 C ATOM 563 CD2 LEU A 36 5.720 17.007 1.703 1.00 0.00 C ATOM 0 H LEU A 36 2.374 15.855 1.736 1.00 0.00 H new ATOM 0 HA LEU A 36 3.535 18.442 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.132 16.528 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.288 17.843 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 36 4.238 15.468 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.313 14.788 0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.926 14.850 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.124 16.166 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.434 16.343 2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.257 17.729 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.141 17.535 2.461 1.00 0.00 H new ATOM 575 N SER A 37 0.724 18.089 0.151 1.00 0.00 N ATOM 576 CA SER A 37 -0.347 18.813 -0.529 1.00 0.00 C ATOM 577 C SER A 37 -0.861 19.971 0.320 1.00 0.00 C ATOM 578 O SER A 37 -1.243 21.014 -0.209 1.00 0.00 O ATOM 579 CB SER A 37 -1.505 17.869 -0.843 1.00 0.00 C ATOM 580 OG SER A 37 -1.048 16.830 -1.699 1.00 0.00 O ATOM 0 H SER A 37 0.516 17.109 0.342 1.00 0.00 H new ATOM 0 HA SER A 37 0.064 19.215 -1.455 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.904 17.446 0.079 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.317 18.418 -1.320 1.00 0.00 H new ATOM 0 HG SER A 37 -0.585 16.149 -1.168 1.00 0.00 H new ATOM 586 N ARG A 38 -0.890 19.780 1.634 1.00 0.00 N ATOM 587 CA ARG A 38 -1.384 20.820 2.530 1.00 0.00 C ATOM 588 C ARG A 38 -0.605 22.118 2.336 1.00 0.00 C ATOM 589 O ARG A 38 -1.153 23.209 2.494 1.00 0.00 O ATOM 590 CB ARG A 38 -1.251 20.360 3.984 1.00 0.00 C ATOM 591 CG ARG A 38 -2.198 19.185 4.243 1.00 0.00 C ATOM 592 CD ARG A 38 -3.448 19.683 4.971 1.00 0.00 C ATOM 593 NE ARG A 38 -4.374 18.581 5.204 1.00 0.00 N ATOM 594 CZ ARG A 38 -5.253 18.619 6.200 1.00 0.00 C ATOM 595 NH1 ARG A 38 -5.305 19.657 6.990 1.00 0.00 N ATOM 596 NH2 ARG A 38 -6.069 17.617 6.389 1.00 0.00 N ATOM 0 H ARG A 38 -0.582 18.926 2.099 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.433 21.003 2.296 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.223 20.062 4.189 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.485 21.183 4.659 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.477 18.715 3.300 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.695 18.425 4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.167 20.137 5.921 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.936 20.458 4.380 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.347 17.766 4.591 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.670 20.442 6.844 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.981 19.683 7.754 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.032 16.805 5.772 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.744 17.646 7.153 1.00 0.00 H new ATOM 610 N ARG A 39 0.671 21.996 1.988 1.00 0.00 N ATOM 611 CA ARG A 39 1.508 23.172 1.774 1.00 0.00 C ATOM 612 C ARG A 39 1.046 23.950 0.544 1.00 0.00 C ATOM 613 O ARG A 39 1.200 25.169 0.476 1.00 0.00 O ATOM 614 CB ARG A 39 2.967 22.752 1.585 1.00 0.00 C ATOM 615 CG ARG A 39 3.461 22.023 2.837 1.00 0.00 C ATOM 616 CD ARG A 39 4.962 21.755 2.713 1.00 0.00 C ATOM 617 NE ARG A 39 5.717 22.741 3.476 1.00 0.00 N ATOM 618 CZ ARG A 39 5.872 22.617 4.790 1.00 0.00 C ATOM 619 NH1 ARG A 39 5.341 21.601 5.413 1.00 0.00 N ATOM 620 NH2 ARG A 39 6.554 23.508 5.456 1.00 0.00 N ATOM 0 H ARG A 39 1.146 21.104 1.849 1.00 0.00 H new ATOM 0 HA ARG A 39 1.421 23.812 2.652 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.059 22.102 0.714 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.586 23.629 1.395 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.260 22.624 3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.922 21.084 2.960 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.190 20.753 3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.259 21.791 1.665 1.00 0.00 H new ATOM 0 HE ARG A 39 6.133 23.538 2.994 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.809 20.905 4.892 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.458 21.503 6.421 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.969 24.302 4.968 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.672 23.411 6.465 1.00 0.00 H new ATOM 634 N CYS A 40 0.492 23.235 -0.431 1.00 0.00 N ATOM 635 CA CYS A 40 0.028 23.867 -1.661 1.00 0.00 C ATOM 636 C CYS A 40 -1.028 24.932 -1.373 1.00 0.00 C ATOM 637 O CYS A 40 -1.003 26.014 -1.960 1.00 0.00 O ATOM 638 CB CYS A 40 -0.546 22.811 -2.609 1.00 0.00 C ATOM 639 SG CYS A 40 -2.284 22.507 -2.206 1.00 0.00 S ATOM 0 H CYS A 40 0.354 22.225 -0.394 1.00 0.00 H new ATOM 0 HA CYS A 40 0.882 24.353 -2.132 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.456 23.148 -3.642 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.024 21.886 -2.525 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.359 21.728 -1.168 1.00 0.00 H new ATOM 645 N ARG A 41 -1.958 24.624 -0.475 1.00 0.00 N ATOM 646 CA ARG A 41 -3.014 25.570 -0.137 1.00 0.00 C ATOM 647 C ARG A 41 -2.421 26.875 0.378 1.00 0.00 C ATOM 648 O ARG A 41 -2.865 27.962 0.005 1.00 0.00 O ATOM 649 CB ARG A 41 -3.932 24.970 0.930 1.00 0.00 C ATOM 650 CG ARG A 41 -5.161 25.864 1.110 1.00 0.00 C ATOM 651 CD ARG A 41 -6.023 25.323 2.251 1.00 0.00 C ATOM 652 NE ARG A 41 -5.785 26.091 3.467 1.00 0.00 N ATOM 653 CZ ARG A 41 -6.384 27.262 3.669 1.00 0.00 C ATOM 654 NH1 ARG A 41 -7.203 27.739 2.772 1.00 0.00 N ATOM 655 NH2 ARG A 41 -6.151 27.933 4.764 1.00 0.00 N ATOM 0 H ARG A 41 -2.002 23.737 0.027 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.591 25.777 -1.039 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.240 23.966 0.637 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.396 24.876 1.875 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.851 26.886 1.327 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.739 25.895 0.187 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.077 25.377 1.978 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.792 24.272 2.425 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.149 25.725 4.175 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.384 27.214 1.916 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.662 28.637 2.927 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.510 27.560 5.464 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.610 28.831 4.919 1.00 0.00 H new ATOM 669 N CYS A 42 -1.418 26.760 1.240 1.00 0.00 N ATOM 670 CA CYS A 42 -0.774 27.937 1.808 1.00 0.00 C ATOM 671 C CYS A 42 0.108 28.626 0.768 1.00 0.00 C ATOM 672 O CYS A 42 0.166 29.854 0.707 1.00 0.00 O ATOM 673 CB CYS A 42 0.073 27.529 3.018 1.00 0.00 C ATOM 674 SG CYS A 42 -0.940 27.605 4.518 1.00 0.00 S ATOM 0 H CYS A 42 -1.035 25.870 1.559 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.547 28.637 2.124 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.462 26.520 2.880 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.933 28.192 3.113 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.481 28.783 4.617 1.00 0.00 H new ATOM 680 N LYS A 43 0.794 27.827 -0.042 1.00 0.00 N ATOM 681 CA LYS A 43 1.675 28.368 -1.073 1.00 0.00 C ATOM 682 C LYS A 43 0.872 28.964 -2.228 1.00 0.00 C ATOM 683 O LYS A 43 1.354 29.847 -2.937 1.00 0.00 O ATOM 684 CB LYS A 43 2.587 27.263 -1.608 1.00 0.00 C ATOM 685 CG LYS A 43 3.638 26.910 -0.555 1.00 0.00 C ATOM 686 CD LYS A 43 4.601 25.865 -1.125 1.00 0.00 C ATOM 687 CE LYS A 43 5.667 25.528 -0.083 1.00 0.00 C ATOM 688 NZ LYS A 43 6.502 24.397 -0.575 1.00 0.00 N ATOM 0 H LYS A 43 0.758 26.808 -0.006 1.00 0.00 H new ATOM 0 HA LYS A 43 2.275 29.159 -0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.998 26.381 -1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.074 27.592 -2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.188 27.804 -0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.154 26.523 0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.053 24.965 -1.404 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.072 26.246 -2.032 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.293 26.400 0.108 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.195 25.261 0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.228 24.167 0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.899 23.565 -0.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.963 24.668 -1.467 1.00 0.00 H new ATOM 702 N PHE A 44 -0.347 28.468 -2.422 1.00 0.00 N ATOM 703 CA PHE A 44 -1.194 28.955 -3.511 1.00 0.00 C ATOM 704 C PHE A 44 -1.571 30.418 -3.310 1.00 0.00 C ATOM 705 O PHE A 44 -1.467 31.222 -4.236 1.00 0.00 O ATOM 706 CB PHE A 44 -2.471 28.117 -3.592 1.00 0.00 C ATOM 707 CG PHE A 44 -3.427 28.758 -4.571 1.00 0.00 C ATOM 708 CD1 PHE A 44 -3.234 28.596 -5.948 1.00 0.00 C ATOM 709 CD2 PHE A 44 -4.504 29.519 -4.101 1.00 0.00 C ATOM 710 CE1 PHE A 44 -4.118 29.192 -6.855 1.00 0.00 C ATOM 711 CE2 PHE A 44 -5.389 30.115 -5.008 1.00 0.00 C ATOM 712 CZ PHE A 44 -5.195 29.953 -6.384 1.00 0.00 C ATOM 0 H PHE A 44 -0.768 27.738 -1.848 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.627 28.866 -4.438 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.234 27.102 -3.909 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.935 28.044 -2.608 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.402 28.011 -6.311 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.652 29.646 -3.039 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.970 29.065 -7.917 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.221 30.700 -4.645 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.876 30.415 -7.083 1.00 0.00 H new ATOM 722 N ASN A 45 -2.013 30.760 -2.106 1.00 0.00 N ATOM 723 CA ASN A 45 -2.408 32.134 -1.816 1.00 0.00 C ATOM 724 C ASN A 45 -1.211 32.961 -1.353 1.00 0.00 C ATOM 725 O ASN A 45 -0.548 32.618 -0.374 1.00 0.00 O ATOM 726 CB ASN A 45 -3.488 32.148 -0.736 1.00 0.00 C ATOM 727 CG ASN A 45 -2.921 31.605 0.570 1.00 0.00 C ATOM 728 OD1 ASN A 45 -2.375 32.362 1.371 1.00 0.00 O ATOM 729 ND2 ASN A 45 -3.018 30.329 0.834 1.00 0.00 N ATOM 0 H ASN A 45 -2.107 30.114 -1.322 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.800 32.575 -2.732 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.855 33.164 -0.589 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.339 31.545 -1.052 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.640 29.959 1.706 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.471 29.703 0.168 1.00 0.00 H new ATOM 736 N GLN A 46 -0.945 34.052 -2.064 1.00 0.00 N ATOM 737 CA GLN A 46 0.172 34.929 -1.722 1.00 0.00 C ATOM 738 C GLN A 46 -0.040 35.559 -0.352 1.00 0.00 C ATOM 739 O GLN A 46 0.915 35.952 0.318 1.00 0.00 O ATOM 740 CB GLN A 46 0.311 36.033 -2.772 1.00 0.00 C ATOM 741 CG GLN A 46 0.747 35.417 -4.101 1.00 0.00 C ATOM 742 CD GLN A 46 0.773 36.484 -5.190 1.00 0.00 C ATOM 743 OE1 GLN A 46 0.488 37.652 -4.924 1.00 0.00 O ATOM 744 NE2 GLN A 46 1.097 36.150 -6.411 1.00 0.00 N ATOM 0 H GLN A 46 -1.484 34.350 -2.877 1.00 0.00 H new ATOM 0 HA GLN A 46 1.082 34.330 -1.699 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.638 36.555 -2.894 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.042 36.772 -2.444 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.735 34.969 -3.996 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.062 34.617 -4.382 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.333 35.182 -6.629 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.114 36.857 -7.146 1.00 0.00 H new ATOM 753 N GLN A 47 -1.300 35.657 0.054 1.00 0.00 N ATOM 754 CA GLN A 47 -1.635 36.250 1.343 1.00 0.00 C ATOM 755 C GLN A 47 -0.860 35.567 2.465 1.00 0.00 C ATOM 756 O GLN A 47 -0.360 36.229 3.375 1.00 0.00 O ATOM 757 CB GLN A 47 -3.139 36.116 1.596 1.00 0.00 C ATOM 758 CG GLN A 47 -3.907 36.875 0.513 1.00 0.00 C ATOM 759 CD GLN A 47 -5.407 36.781 0.773 1.00 0.00 C ATOM 760 OE1 GLN A 47 -5.845 36.051 1.763 1.00 0.00 O flip ATOM 761 NE2 GLN A 47 -6.202 37.387 0.055 1.00 0.00 N flip ATOM 0 H GLN A 47 -2.103 35.336 -0.487 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.361 37.305 1.324 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.427 35.065 1.592 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.390 36.512 2.580 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.597 37.920 0.500 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.673 36.461 -0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.859 37.957 -0.718 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.204 37.319 0.233 1.00 0.00 H new ATOM 770 N GLN A 48 -0.757 34.244 2.395 1.00 0.00 N ATOM 771 CA GLN A 48 -0.034 33.492 3.414 1.00 0.00 C ATOM 772 C GLN A 48 1.459 33.803 3.355 1.00 0.00 C ATOM 773 O GLN A 48 2.103 33.990 4.387 1.00 0.00 O ATOM 774 CB GLN A 48 -0.254 31.993 3.217 1.00 0.00 C ATOM 775 CG GLN A 48 -1.625 31.606 3.772 1.00 0.00 C ATOM 776 CD GLN A 48 -1.489 31.156 5.223 1.00 0.00 C ATOM 777 OE1 GLN A 48 -2.191 30.242 5.659 1.00 0.00 O ATOM 778 NE2 GLN A 48 -0.623 31.745 6.001 1.00 0.00 N ATOM 0 H GLN A 48 -1.161 33.675 1.651 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.416 33.787 4.391 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.193 31.741 2.158 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.529 31.429 3.724 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.306 32.455 3.708 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.057 30.805 3.172 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.043 32.501 5.638 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.526 31.449 6.972 1.00 0.00 H new ATOM 787 N ARG A 49 2.004 33.858 2.142 1.00 0.00 N ATOM 788 CA ARG A 49 3.423 34.151 1.969 1.00 0.00 C ATOM 789 C ARG A 49 3.734 34.483 0.511 1.00 0.00 C ATOM 790 O ARG A 49 3.505 35.606 0.061 1.00 0.00 O ATOM 791 CB ARG A 49 4.265 32.954 2.416 1.00 0.00 C ATOM 792 CG ARG A 49 3.559 31.653 2.030 1.00 0.00 C ATOM 793 CD ARG A 49 4.595 30.539 1.859 1.00 0.00 C ATOM 794 NE ARG A 49 5.646 30.671 2.862 1.00 0.00 N ATOM 795 CZ ARG A 49 6.860 30.169 2.657 1.00 0.00 C ATOM 796 NH1 ARG A 49 7.129 29.545 1.543 1.00 0.00 N ATOM 797 NH2 ARG A 49 7.782 30.302 3.570 1.00 0.00 N ATOM 0 H ARG A 49 1.491 33.705 1.274 1.00 0.00 H new ATOM 0 HA ARG A 49 3.670 35.016 2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.250 32.996 1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.420 32.989 3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.837 31.377 2.798 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.002 31.791 1.103 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.113 29.566 1.953 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.028 30.585 0.860 1.00 0.00 H new ATOM 0 HE ARG A 49 5.446 31.157 3.736 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.408 29.442 0.829 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.060 29.160 1.386 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.571 30.791 4.440 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.714 29.917 3.414 1.00 0.00 H new ATOM 811 N THR A 50 4.264 33.502 -0.216 1.00 0.00 N ATOM 812 CA THR A 50 4.614 33.699 -1.621 1.00 0.00 C ATOM 813 C THR A 50 3.627 32.981 -2.537 1.00 0.00 C ATOM 814 O THR A 50 2.832 32.157 -2.086 1.00 0.00 O ATOM 815 CB THR A 50 6.026 33.175 -1.881 1.00 0.00 C ATOM 816 OG1 THR A 50 6.034 31.759 -1.763 1.00 0.00 O ATOM 817 CG2 THR A 50 6.990 33.779 -0.859 1.00 0.00 C ATOM 0 H THR A 50 4.460 32.567 0.142 1.00 0.00 H new ATOM 0 HA THR A 50 4.572 34.767 -1.836 1.00 0.00 H new ATOM 0 HB THR A 50 6.340 33.457 -2.886 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.939 31.422 -1.931 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.997 33.406 -1.044 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.983 34.865 -0.950 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.678 33.497 0.147 1.00 0.00 H new ATOM 825 N GLY A 51 3.689 33.302 -3.826 1.00 0.00 N ATOM 826 CA GLY A 51 2.799 32.688 -4.807 1.00 0.00 C ATOM 827 C GLY A 51 2.831 33.459 -6.122 1.00 0.00 C ATOM 828 O GLY A 51 3.003 34.679 -6.130 1.00 0.00 O ATOM 0 H GLY A 51 4.343 33.981 -4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.098 31.654 -4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.781 32.665 -4.418 1.00 0.00 H new ATOM 832 N GLU A 52 2.662 32.744 -7.231 1.00 0.00 N ATOM 833 CA GLU A 52 2.674 33.379 -8.545 1.00 0.00 C ATOM 834 C GLU A 52 1.244 33.586 -9.052 1.00 0.00 C ATOM 835 O GLU A 52 0.322 32.904 -8.608 1.00 0.00 O ATOM 836 CB GLU A 52 3.448 32.518 -9.546 1.00 0.00 C ATOM 837 CG GLU A 52 3.884 31.213 -8.878 1.00 0.00 C ATOM 838 CD GLU A 52 4.634 30.342 -9.881 1.00 0.00 C ATOM 839 OE1 GLU A 52 5.814 30.581 -10.076 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.017 29.450 -10.440 1.00 0.00 O ATOM 0 H GLU A 52 2.517 31.735 -7.247 1.00 0.00 H new ATOM 0 HA GLU A 52 3.164 34.348 -8.450 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.824 32.303 -10.413 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.321 33.061 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.523 31.428 -8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.012 30.679 -8.500 1.00 0.00 H new ATOM 847 N PRO A 53 1.040 34.509 -9.965 1.00 0.00 N ATOM 848 CA PRO A 53 -0.308 34.794 -10.528 1.00 0.00 C ATOM 849 C PRO A 53 -1.129 33.522 -10.736 1.00 0.00 C ATOM 850 O PRO A 53 -0.575 32.434 -10.895 1.00 0.00 O ATOM 851 CB PRO A 53 0.002 35.463 -11.865 1.00 0.00 C ATOM 852 CG PRO A 53 1.333 36.120 -11.689 1.00 0.00 C ATOM 853 CD PRO A 53 2.067 35.378 -10.567 1.00 0.00 C ATOM 0 HA PRO A 53 -0.910 35.411 -9.861 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.030 34.731 -12.672 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.764 36.194 -12.124 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.906 36.079 -12.615 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.210 37.173 -11.436 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.901 34.795 -10.957 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.478 36.073 -9.835 1.00 0.00 H new ATOM 861 N ASP A 54 -2.452 33.667 -10.736 1.00 0.00 N ATOM 862 CA ASP A 54 -3.338 32.524 -10.929 1.00 0.00 C ATOM 863 C ASP A 54 -4.622 32.956 -11.630 1.00 0.00 C ATOM 864 O ASP A 54 -4.929 34.145 -11.704 1.00 0.00 O ATOM 865 CB ASP A 54 -3.680 31.891 -9.577 1.00 0.00 C ATOM 866 CG ASP A 54 -2.403 31.455 -8.867 1.00 0.00 C ATOM 867 OD1 ASP A 54 -1.591 30.800 -9.498 1.00 0.00 O ATOM 868 OD2 ASP A 54 -2.256 31.784 -7.702 1.00 0.00 O ATOM 0 H ASP A 54 -2.931 34.558 -10.605 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.825 31.791 -11.552 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.224 32.605 -8.959 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.336 31.033 -9.724 1.00 0.00 H new ATOM 873 N GLU A 55 -5.367 31.983 -12.144 1.00 0.00 N ATOM 874 CA GLU A 55 -6.616 32.279 -12.838 1.00 0.00 C ATOM 875 C GLU A 55 -7.737 32.537 -11.836 1.00 0.00 C ATOM 876 O GLU A 55 -8.023 33.684 -11.491 1.00 0.00 O ATOM 877 CB GLU A 55 -7.002 31.109 -13.747 1.00 0.00 C ATOM 878 CG GLU A 55 -5.949 30.946 -14.845 1.00 0.00 C ATOM 879 CD GLU A 55 -6.357 29.825 -15.795 1.00 0.00 C ATOM 880 OE1 GLU A 55 -7.311 29.130 -15.484 1.00 0.00 O ATOM 881 OE2 GLU A 55 -5.709 29.677 -16.818 1.00 0.00 O ATOM 0 H GLU A 55 -5.131 30.992 -12.094 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.469 33.174 -13.442 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.079 30.192 -13.164 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.981 31.288 -14.191 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.839 31.880 -15.397 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.979 30.722 -14.400 1.00 0.00 H new ATOM 888 N GLU A 56 -8.368 31.462 -11.370 1.00 0.00 N ATOM 889 CA GLU A 56 -9.457 31.584 -10.406 1.00 0.00 C ATOM 890 C GLU A 56 -8.963 31.262 -8.998 1.00 0.00 C ATOM 891 O GLU A 56 -7.883 30.701 -8.821 1.00 0.00 O ATOM 892 CB GLU A 56 -10.596 30.632 -10.780 1.00 0.00 C ATOM 893 CG GLU A 56 -11.158 31.017 -12.150 1.00 0.00 C ATOM 894 CD GLU A 56 -11.844 32.376 -12.071 1.00 0.00 C ATOM 895 OE1 GLU A 56 -12.151 32.801 -10.970 1.00 0.00 O ATOM 896 OE2 GLU A 56 -12.051 32.974 -13.114 1.00 0.00 O ATOM 0 H GLU A 56 -8.146 30.504 -11.642 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.822 32.611 -10.426 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.233 29.605 -10.800 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.383 30.677 -10.027 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.354 31.049 -12.886 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.868 30.261 -12.486 1.00 0.00 H new ATOM 903 N GLU A 57 -9.764 31.624 -8.001 1.00 0.00 N ATOM 904 CA GLU A 57 -9.398 31.371 -6.612 1.00 0.00 C ATOM 905 C GLU A 57 -9.812 29.965 -6.196 1.00 0.00 C ATOM 906 O GLU A 57 -10.758 29.397 -6.740 1.00 0.00 O ATOM 907 CB GLU A 57 -10.074 32.392 -5.696 1.00 0.00 C ATOM 908 CG GLU A 57 -9.590 33.799 -6.052 1.00 0.00 C ATOM 909 CD GLU A 57 -10.191 34.816 -5.087 1.00 0.00 C ATOM 910 OE1 GLU A 57 -11.038 34.428 -4.300 1.00 0.00 O ATOM 911 OE2 GLU A 57 -9.794 35.968 -5.150 1.00 0.00 O ATOM 0 H GLU A 57 -10.663 32.089 -8.127 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.316 31.463 -6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.157 32.331 -5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.844 32.170 -4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.502 33.841 -6.006 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.876 34.043 -7.075 1.00 0.00 H new ATOM 918 N GLY A 58 -9.093 29.408 -5.227 1.00 0.00 N ATOM 919 CA GLY A 58 -9.393 28.068 -4.745 1.00 0.00 C ATOM 920 C GLY A 58 -8.423 27.050 -5.331 1.00 0.00 C ATOM 921 O GLY A 58 -8.095 27.101 -6.516 1.00 0.00 O ATOM 0 H GLY A 58 -8.305 29.861 -4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.335 28.047 -3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.415 27.800 -5.015 1.00 0.00 H new ATOM 925 N THR A 59 -7.972 26.126 -4.492 1.00 0.00 N ATOM 926 CA THR A 59 -7.043 25.095 -4.935 1.00 0.00 C ATOM 927 C THR A 59 -7.799 23.988 -5.658 1.00 0.00 C ATOM 928 O THR A 59 -9.029 23.938 -5.616 1.00 0.00 O ATOM 929 CB THR A 59 -6.297 24.512 -3.734 1.00 0.00 C ATOM 930 OG1 THR A 59 -6.505 25.343 -2.601 1.00 0.00 O ATOM 931 CG2 THR A 59 -4.801 24.437 -4.043 1.00 0.00 C ATOM 0 H THR A 59 -8.232 26.069 -3.507 1.00 0.00 H new ATOM 0 HA THR A 59 -6.322 25.541 -5.620 1.00 0.00 H new ATOM 0 HB THR A 59 -6.673 23.510 -3.527 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.029 24.970 -1.830 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.273 24.021 -3.185 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.641 23.799 -4.912 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.422 25.437 -4.252 1.00 0.00 H new ATOM 939 N PHE A 60 -7.065 23.097 -6.314 1.00 0.00 N ATOM 940 CA PHE A 60 -7.700 21.995 -7.026 1.00 0.00 C ATOM 941 C PHE A 60 -8.300 21.028 -6.021 1.00 0.00 C ATOM 942 O PHE A 60 -9.436 20.576 -6.168 1.00 0.00 O ATOM 943 CB PHE A 60 -6.686 21.266 -7.905 1.00 0.00 C ATOM 944 CG PHE A 60 -7.402 20.213 -8.715 1.00 0.00 C ATOM 945 CD1 PHE A 60 -7.944 20.538 -9.965 1.00 0.00 C ATOM 946 CD2 PHE A 60 -7.527 18.912 -8.215 1.00 0.00 C ATOM 947 CE1 PHE A 60 -8.612 19.561 -10.714 1.00 0.00 C ATOM 948 CE2 PHE A 60 -8.194 17.935 -8.963 1.00 0.00 C ATOM 949 CZ PHE A 60 -8.736 18.259 -10.214 1.00 0.00 C ATOM 0 H PHE A 60 -6.047 23.114 -6.368 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.486 22.395 -7.667 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.185 21.973 -8.566 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.915 20.806 -7.287 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -7.847 21.542 -10.351 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.109 18.662 -7.251 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -9.031 19.812 -11.677 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -8.291 16.931 -8.576 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.249 17.505 -10.792 1.00 0.00 H new ATOM 959 N ARG A 61 -7.523 20.741 -4.986 1.00 0.00 N ATOM 960 CA ARG A 61 -7.959 19.854 -3.922 1.00 0.00 C ATOM 961 C ARG A 61 -9.150 20.464 -3.198 1.00 0.00 C ATOM 962 O ARG A 61 -10.014 19.756 -2.698 1.00 0.00 O ATOM 963 CB ARG A 61 -6.809 19.610 -2.943 1.00 0.00 C ATOM 964 CG ARG A 61 -5.722 18.797 -3.650 1.00 0.00 C ATOM 965 CD ARG A 61 -4.504 18.653 -2.736 1.00 0.00 C ATOM 966 NE ARG A 61 -3.493 19.651 -3.076 1.00 0.00 N ATOM 967 CZ ARG A 61 -2.821 19.591 -4.224 1.00 0.00 C ATOM 968 NH1 ARG A 61 -3.058 18.628 -5.071 1.00 0.00 N ATOM 969 NH2 ARG A 61 -1.922 20.494 -4.503 1.00 0.00 N ATOM 0 H ARG A 61 -6.582 21.114 -4.862 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.261 18.899 -4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.403 20.559 -2.594 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.169 19.075 -2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.107 17.812 -3.916 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.434 19.288 -4.579 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.806 18.771 -1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.084 17.652 -2.834 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.298 20.409 -2.421 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.759 17.919 -4.854 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.542 18.583 -5.950 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.733 21.247 -3.841 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.408 20.447 -5.383 1.00 0.00 H new ATOM 983 N SER A 62 -9.176 21.789 -3.140 1.00 0.00 N ATOM 984 CA SER A 62 -10.256 22.502 -2.469 1.00 0.00 C ATOM 985 C SER A 62 -11.604 22.193 -3.123 1.00 0.00 C ATOM 986 O SER A 62 -12.636 22.170 -2.453 1.00 0.00 O ATOM 987 CB SER A 62 -9.989 24.009 -2.521 1.00 0.00 C ATOM 988 OG SER A 62 -10.798 24.668 -1.555 1.00 0.00 O ATOM 0 H SER A 62 -8.462 22.392 -3.549 1.00 0.00 H new ATOM 0 HA SER A 62 -10.294 22.172 -1.431 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.935 24.209 -2.326 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.208 24.394 -3.517 1.00 0.00 H new ATOM 0 HG SER A 62 -10.626 25.632 -1.587 1.00 0.00 H new ATOM 994 N SER A 63 -11.591 21.971 -4.433 1.00 0.00 N ATOM 995 CA SER A 63 -12.824 21.683 -5.164 1.00 0.00 C ATOM 996 C SER A 63 -13.458 20.369 -4.705 1.00 0.00 C ATOM 997 O SER A 63 -14.672 20.200 -4.794 1.00 0.00 O ATOM 998 CB SER A 63 -12.534 21.608 -6.662 1.00 0.00 C ATOM 999 OG SER A 63 -11.777 22.745 -7.053 1.00 0.00 O ATOM 0 H SER A 63 -10.749 21.984 -5.008 1.00 0.00 H new ATOM 0 HA SER A 63 -13.527 22.491 -4.959 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.985 20.695 -6.892 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.468 21.568 -7.223 1.00 0.00 H new ATOM 0 HG SER A 63 -11.588 22.698 -8.014 1.00 0.00 H new ATOM 1005 N ILE A 64 -12.645 19.438 -4.222 1.00 0.00 N ATOM 1006 CA ILE A 64 -13.173 18.154 -3.763 1.00 0.00 C ATOM 1007 C ILE A 64 -14.112 18.354 -2.571 1.00 0.00 C ATOM 1008 O ILE A 64 -15.051 17.585 -2.374 1.00 0.00 O ATOM 1009 CB ILE A 64 -12.041 17.154 -3.430 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -11.441 17.407 -2.037 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -10.931 17.271 -4.477 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -12.033 16.409 -1.038 1.00 0.00 C ATOM 0 H ILE A 64 -11.634 19.542 -4.137 1.00 0.00 H new ATOM 0 HA ILE A 64 -13.749 17.719 -4.580 1.00 0.00 H new ATOM 0 HB ILE A 64 -12.473 16.153 -3.437 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.357 17.303 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.653 18.427 -1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.133 16.566 -4.242 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.336 17.045 -5.463 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -10.532 18.285 -4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -11.608 16.588 -0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.115 16.535 -0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -11.798 15.393 -1.356 1.00 0.00 H new ATOM 1024 N ARG A 65 -13.839 19.385 -1.773 1.00 0.00 N ATOM 1025 CA ARG A 65 -14.649 19.673 -0.593 1.00 0.00 C ATOM 1026 C ARG A 65 -16.116 19.882 -0.973 1.00 0.00 C ATOM 1027 O ARG A 65 -17.011 19.539 -0.200 1.00 0.00 O ATOM 1028 CB ARG A 65 -14.110 20.931 0.097 1.00 0.00 C ATOM 1029 CG ARG A 65 -14.745 21.089 1.482 1.00 0.00 C ATOM 1030 CD ARG A 65 -13.898 20.355 2.523 1.00 0.00 C ATOM 1031 NE ARG A 65 -14.706 20.054 3.698 1.00 0.00 N ATOM 1032 CZ ARG A 65 -15.022 20.999 4.577 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -14.576 22.215 4.417 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -15.773 20.707 5.603 1.00 0.00 N ATOM 0 H ARG A 65 -13.065 20.033 -1.922 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.590 18.822 0.086 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -13.026 20.867 0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.325 21.809 -0.512 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.821 22.145 1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -15.759 20.689 1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -13.502 19.433 2.098 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.043 20.968 2.807 1.00 0.00 H new ATOM 0 HE ARG A 65 -15.035 19.100 3.848 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.985 22.440 3.617 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.819 22.940 5.092 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -16.116 19.755 5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -16.017 21.431 6.279 1.00 0.00 H new ATOM 1048 N ARG A 66 -16.366 20.428 -2.158 1.00 0.00 N ATOM 1049 CA ARG A 66 -17.740 20.643 -2.596 1.00 0.00 C ATOM 1050 C ARG A 66 -18.502 19.325 -2.542 1.00 0.00 C ATOM 1051 O ARG A 66 -19.688 19.291 -2.235 1.00 0.00 O ATOM 1052 CB ARG A 66 -17.773 21.216 -4.015 1.00 0.00 C ATOM 1053 CG ARG A 66 -17.740 22.750 -3.956 1.00 0.00 C ATOM 1054 CD ARG A 66 -16.465 23.218 -3.247 1.00 0.00 C ATOM 1055 NE ARG A 66 -16.367 24.672 -3.291 1.00 0.00 N ATOM 1056 CZ ARG A 66 -15.311 25.304 -2.789 1.00 0.00 C ATOM 1057 NH1 ARG A 66 -14.338 24.619 -2.253 1.00 0.00 N ATOM 1058 NH2 ARG A 66 -15.247 26.607 -2.830 1.00 0.00 N ATOM 0 H ARG A 66 -15.650 20.725 -2.821 1.00 0.00 H new ATOM 0 HA ARG A 66 -18.214 21.363 -1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.922 20.846 -4.586 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.673 20.882 -4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.778 23.162 -4.964 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.618 23.121 -3.427 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.471 22.878 -2.211 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.591 22.773 -3.723 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.121 25.213 -3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.389 23.601 -2.220 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.527 25.102 -1.867 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.008 27.142 -3.248 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.436 27.090 -2.444 1.00 0.00 H new ATOM 1072 N LEU A 67 -17.800 18.239 -2.835 1.00 0.00 N ATOM 1073 CA LEU A 67 -18.403 16.913 -2.813 1.00 0.00 C ATOM 1074 C LEU A 67 -19.017 16.625 -1.442 1.00 0.00 C ATOM 1075 O LEU A 67 -19.884 15.763 -1.308 1.00 0.00 O ATOM 1076 CB LEU A 67 -17.340 15.855 -3.131 1.00 0.00 C ATOM 1077 CG LEU A 67 -16.619 16.215 -4.440 1.00 0.00 C ATOM 1078 CD1 LEU A 67 -15.434 15.270 -4.647 1.00 0.00 C ATOM 1079 CD2 LEU A 67 -17.579 16.088 -5.631 1.00 0.00 C ATOM 0 H LEU A 67 -16.813 18.250 -3.091 1.00 0.00 H new ATOM 0 HA LEU A 67 -19.191 16.877 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -16.621 15.793 -2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -17.806 14.874 -3.220 1.00 0.00 H new ATOM 0 HG LEU A 67 -16.267 17.244 -4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -14.923 15.525 -5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.740 15.368 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.793 14.242 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.054 16.346 -6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -17.944 15.063 -5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -18.422 16.765 -5.492 1.00 0.00 H new ATOM 1091 N SER A 68 -18.554 17.330 -0.416 1.00 0.00 N ATOM 1092 CA SER A 68 -19.075 17.106 0.928 1.00 0.00 C ATOM 1093 C SER A 68 -20.524 17.582 1.048 1.00 0.00 C ATOM 1094 O SER A 68 -21.381 16.850 1.544 1.00 0.00 O ATOM 1095 CB SER A 68 -18.210 17.845 1.950 1.00 0.00 C ATOM 1096 OG SER A 68 -18.667 17.538 3.260 1.00 0.00 O ATOM 0 H SER A 68 -17.833 18.048 -0.485 1.00 0.00 H new ATOM 0 HA SER A 68 -19.047 16.034 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.166 17.553 1.839 1.00 0.00 H new ATOM 0 HB3 SER A 68 -18.261 18.920 1.777 1.00 0.00 H new ATOM 0 HG SER A 68 -18.114 18.009 3.918 1.00 0.00 H new ATOM 1102 N THR A 69 -20.790 18.806 0.593 1.00 0.00 N ATOM 1103 CA THR A 69 -22.142 19.366 0.657 1.00 0.00 C ATOM 1104 C THR A 69 -22.789 19.428 -0.724 1.00 0.00 C ATOM 1105 O THR A 69 -23.984 19.177 -0.873 1.00 0.00 O ATOM 1106 CB THR A 69 -22.091 20.776 1.249 1.00 0.00 C ATOM 1107 OG1 THR A 69 -21.608 21.681 0.267 1.00 0.00 O ATOM 1108 CG2 THR A 69 -21.160 20.790 2.462 1.00 0.00 C ATOM 0 H THR A 69 -20.094 19.426 0.179 1.00 0.00 H new ATOM 0 HA THR A 69 -22.742 18.712 1.290 1.00 0.00 H new ATOM 0 HB THR A 69 -23.091 21.077 1.561 1.00 0.00 H new ATOM 0 HG1 THR A 69 -21.576 22.585 0.643 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.125 21.795 2.882 1.00 0.00 H new ATOM 0 HG22 THR A 69 -21.532 20.095 3.214 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.158 20.490 2.155 1.00 0.00 H new ATOM 1116 N ARG A 70 -21.995 19.786 -1.728 1.00 0.00 N ATOM 1117 CA ARG A 70 -22.503 19.905 -3.096 1.00 0.00 C ATOM 1118 C ARG A 70 -22.943 18.552 -3.654 1.00 0.00 C ATOM 1119 O ARG A 70 -23.572 18.491 -4.711 1.00 0.00 O ATOM 1120 CB ARG A 70 -21.426 20.502 -4.006 1.00 0.00 C ATOM 1121 CG ARG A 70 -22.093 21.247 -5.166 1.00 0.00 C ATOM 1122 CD ARG A 70 -21.041 21.610 -6.217 1.00 0.00 C ATOM 1123 NE ARG A 70 -20.516 20.401 -6.841 1.00 0.00 N ATOM 1124 CZ ARG A 70 -19.555 20.459 -7.757 1.00 0.00 C ATOM 1125 NH1 ARG A 70 -19.058 21.613 -8.112 1.00 0.00 N ATOM 1126 NH2 ARG A 70 -19.106 19.361 -8.300 1.00 0.00 N ATOM 0 H ARG A 70 -21.003 19.998 -1.625 1.00 0.00 H new ATOM 0 HA ARG A 70 -23.372 20.562 -3.067 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -20.792 21.184 -3.439 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -20.781 19.712 -4.390 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -22.868 20.625 -5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -22.581 22.150 -4.799 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -21.482 22.258 -6.975 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -20.230 22.170 -5.752 1.00 0.00 H new ATOM 0 HE ARG A 70 -20.894 19.493 -6.569 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -19.407 22.471 -7.686 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -18.320 21.656 -8.815 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -19.493 18.459 -8.021 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -18.368 19.404 -9.003 1.00 0.00 H new ATOM 1140 N ARG A 71 -22.609 17.472 -2.951 1.00 0.00 N ATOM 1141 CA ARG A 71 -22.979 16.131 -3.404 1.00 0.00 C ATOM 1142 C ARG A 71 -23.507 15.295 -2.241 1.00 0.00 C ATOM 1143 O ARG A 71 -23.049 15.433 -1.106 1.00 0.00 O ATOM 1144 CB ARG A 71 -21.765 15.441 -4.031 1.00 0.00 C ATOM 1145 CG ARG A 71 -22.198 14.150 -4.724 1.00 0.00 C ATOM 1146 CD ARG A 71 -20.957 13.416 -5.237 1.00 0.00 C ATOM 1147 NE ARG A 71 -21.339 12.212 -5.963 1.00 0.00 N ATOM 1148 CZ ARG A 71 -20.483 11.205 -6.118 1.00 0.00 C ATOM 1149 NH1 ARG A 71 -19.284 11.286 -5.609 1.00 0.00 N ATOM 1150 NH2 ARG A 71 -20.842 10.139 -6.778 1.00 0.00 N ATOM 0 H ARG A 71 -22.088 17.497 -2.074 1.00 0.00 H new ATOM 0 HA ARG A 71 -23.768 16.223 -4.150 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -21.289 16.107 -4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -21.025 15.220 -3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -22.749 13.517 -4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -22.871 14.375 -5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -20.382 14.074 -5.889 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -20.311 13.153 -4.400 1.00 0.00 H new ATOM 0 HE ARG A 71 -22.276 12.140 -6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.004 12.120 -5.093 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.627 10.515 -5.727 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -21.779 10.077 -7.176 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.186 9.367 -6.897 1.00 0.00 H new ATOM 1164 N ARG A 72 -24.474 14.429 -2.532 1.00 0.00 N ATOM 1165 CA ARG A 72 -25.062 13.576 -1.503 1.00 0.00 C ATOM 1166 C ARG A 72 -24.144 12.400 -1.192 1.00 0.00 C ATOM 1167 O ARG A 72 -23.524 11.896 -2.115 1.00 0.00 O ATOM 1168 CB ARG A 72 -26.424 13.054 -1.968 1.00 0.00 C ATOM 1169 CG ARG A 72 -26.237 12.128 -3.172 1.00 0.00 C ATOM 1170 CD ARG A 72 -27.598 11.835 -3.806 1.00 0.00 C ATOM 1171 NE ARG A 72 -27.461 10.837 -4.861 1.00 0.00 N ATOM 1172 CZ ARG A 72 -28.351 10.754 -5.845 1.00 0.00 C ATOM 1173 NH1 ARG A 72 -29.367 11.573 -5.875 1.00 0.00 N ATOM 1174 NH2 ARG A 72 -28.209 9.855 -6.780 1.00 0.00 N ATOM 1175 OXT ARG A 72 -24.073 12.018 -0.035 1.00 0.00 O ATOM 0 H ARG A 72 -24.865 14.300 -3.465 1.00 0.00 H new ATOM 0 HA ARG A 72 -25.192 14.170 -0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.915 12.517 -1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.072 13.888 -2.236 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -25.576 12.593 -3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -25.762 11.198 -2.859 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -28.292 11.477 -3.045 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -28.021 12.752 -4.216 1.00 0.00 H new ATOM 0 HE ARG A 72 -26.670 10.193 -4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -29.477 12.276 -5.144 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.051 11.510 -6.630 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.415 9.215 -6.756 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -28.892 9.792 -7.535 1.00 0.00 H new TER 1189 ARG A 72