USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 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 Single : A 1 GLU N :NH3+ -161:sc= -1.54 (180deg=-2.71!) USER MOD Single : A 2 SER OG : rot 180:sc= -0.335 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.28) 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 :FLIP amide:sc= -1.92 F(o=-4!,f=-1.9) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0713 X(o=-0.071,f=-0.56) USER MOD Single : A 37 SER OG : rot 89:sc= 1.17 USER MOD Single : A 40 CYS SG : rot -81:sc= -1.35! USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.05) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 61:sc= -0.289 USER MOD Single : A 62 SER OG : rot -56:sc= 0.957 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= 0.00829 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 16.249 -28.814 0.727 1.00 0.00 N ATOM 2 CA GLU A 1 15.653 -28.255 -0.519 1.00 0.00 C ATOM 3 C GLU A 1 14.165 -28.586 -0.564 1.00 0.00 C ATOM 4 O GLU A 1 13.317 -27.700 -0.454 1.00 0.00 O ATOM 5 CB GLU A 1 16.359 -28.861 -1.733 1.00 0.00 C ATOM 6 CG GLU A 1 17.855 -28.542 -1.667 1.00 0.00 C ATOM 7 CD GLU A 1 18.555 -29.068 -2.916 1.00 0.00 C ATOM 8 OE1 GLU A 1 17.911 -29.760 -3.685 1.00 0.00 O ATOM 9 OE2 GLU A 1 19.726 -28.770 -3.083 1.00 0.00 O ATOM 0 H1 GLU A 1 17.151 -28.336 0.925 1.00 0.00 H new ATOM 0 H2 GLU A 1 15.595 -28.664 1.522 1.00 0.00 H new ATOM 0 H3 GLU A 1 16.417 -29.833 0.604 1.00 0.00 H new ATOM 0 HA GLU A 1 15.778 -27.172 -0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 1 16.207 -29.940 -1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 1 15.931 -28.461 -2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 1 18.002 -27.465 -1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 1 18.293 -28.994 -0.777 1.00 0.00 H new ATOM 18 N SER A 2 13.856 -29.867 -0.729 1.00 0.00 N ATOM 19 CA SER A 2 12.468 -30.308 -0.792 1.00 0.00 C ATOM 20 C SER A 2 11.646 -29.747 0.372 1.00 0.00 C ATOM 21 O SER A 2 10.576 -29.181 0.153 1.00 0.00 O ATOM 22 CB SER A 2 12.401 -31.836 -0.782 1.00 0.00 C ATOM 23 OG SER A 2 11.558 -32.261 0.281 1.00 0.00 O ATOM 0 H SER A 2 14.544 -30.615 -0.821 1.00 0.00 H new ATOM 0 HA SER A 2 12.042 -29.929 -1.721 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.017 -32.201 -1.735 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.400 -32.255 -0.659 1.00 0.00 H new ATOM 0 HG SER A 2 11.511 -33.240 0.290 1.00 0.00 H new ATOM 29 N PRO A 3 12.105 -29.893 1.594 1.00 0.00 N ATOM 30 CA PRO A 3 11.364 -29.386 2.782 1.00 0.00 C ATOM 31 C PRO A 3 11.572 -27.890 3.001 1.00 0.00 C ATOM 32 O PRO A 3 10.843 -27.258 3.763 1.00 0.00 O ATOM 33 CB PRO A 3 11.943 -30.198 3.939 1.00 0.00 C ATOM 34 CG PRO A 3 13.332 -30.557 3.523 1.00 0.00 C ATOM 35 CD PRO A 3 13.369 -30.548 1.988 1.00 0.00 C ATOM 0 HA PRO A 3 10.286 -29.501 2.672 1.00 0.00 H new ATOM 0 HB2 PRO A 3 11.948 -29.617 4.861 1.00 0.00 H new ATOM 0 HB3 PRO A 3 11.347 -31.091 4.128 1.00 0.00 H new ATOM 0 HG2 PRO A 3 14.050 -29.844 3.928 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.606 -31.539 3.908 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.234 -30.000 1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.435 -31.559 1.586 1.00 0.00 H new ATOM 43 N LYS A 4 12.570 -27.330 2.324 1.00 0.00 N ATOM 44 CA LYS A 4 12.862 -25.907 2.454 1.00 0.00 C ATOM 45 C LYS A 4 11.830 -25.079 1.695 1.00 0.00 C ATOM 46 O LYS A 4 11.761 -23.859 1.852 1.00 0.00 O ATOM 47 CB LYS A 4 14.261 -25.609 1.910 1.00 0.00 C ATOM 48 CG LYS A 4 15.310 -26.274 2.806 1.00 0.00 C ATOM 49 CD LYS A 4 16.711 -25.876 2.335 1.00 0.00 C ATOM 50 CE LYS A 4 17.759 -26.640 3.148 1.00 0.00 C ATOM 51 NZ LYS A 4 19.121 -26.294 2.652 1.00 0.00 N ATOM 0 H LYS A 4 13.185 -27.835 1.685 1.00 0.00 H new ATOM 0 HA LYS A 4 12.820 -25.640 3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.352 -25.979 0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 4 14.427 -24.532 1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 4 15.163 -25.970 3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.198 -27.358 2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.826 -26.097 1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.855 -24.802 2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 4 17.670 -26.388 4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.591 -27.713 3.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 19.834 -26.813 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 19.202 -26.556 1.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 19.279 -25.271 2.757 1.00 0.00 H new ATOM 65 N GLU A 5 11.030 -25.750 0.871 1.00 0.00 N ATOM 66 CA GLU A 5 10.001 -25.068 0.091 1.00 0.00 C ATOM 67 C GLU A 5 8.624 -25.293 0.707 1.00 0.00 C ATOM 68 O GLU A 5 8.384 -26.311 1.356 1.00 0.00 O ATOM 69 CB GLU A 5 10.008 -25.586 -1.348 1.00 0.00 C ATOM 70 CG GLU A 5 11.373 -25.316 -1.983 1.00 0.00 C ATOM 71 CD GLU A 5 11.596 -23.814 -2.126 1.00 0.00 C ATOM 72 OE1 GLU A 5 10.625 -23.081 -2.048 1.00 0.00 O ATOM 73 OE2 GLU A 5 12.736 -23.419 -2.310 1.00 0.00 O ATOM 0 H GLU A 5 11.073 -26.759 0.726 1.00 0.00 H new ATOM 0 HA GLU A 5 10.218 -24.000 0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.794 -26.655 -1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.224 -25.097 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.161 -25.752 -1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.429 -25.795 -2.961 1.00 0.00 H new ATOM 80 N HIS A 6 7.726 -24.332 0.497 1.00 0.00 N ATOM 81 CA HIS A 6 6.368 -24.422 1.030 1.00 0.00 C ATOM 82 C HIS A 6 5.342 -24.206 -0.078 1.00 0.00 C ATOM 83 O HIS A 6 5.571 -23.424 -1.003 1.00 0.00 O ATOM 84 CB HIS A 6 6.169 -23.370 2.123 1.00 0.00 C ATOM 85 CG HIS A 6 7.152 -23.612 3.235 1.00 0.00 C ATOM 86 ND1 HIS A 6 8.435 -23.086 3.216 1.00 0.00 N ATOM 87 CD2 HIS A 6 7.056 -24.320 4.407 1.00 0.00 C ATOM 88 CE1 HIS A 6 9.053 -23.482 4.343 1.00 0.00 C ATOM 89 NE2 HIS A 6 8.258 -24.238 5.104 1.00 0.00 N ATOM 0 H HIS A 6 7.914 -23.484 -0.037 1.00 0.00 H new ATOM 0 HA HIS A 6 6.227 -25.417 1.451 1.00 0.00 H new ATOM 0 HB2 HIS A 6 6.308 -22.371 1.711 1.00 0.00 H new ATOM 0 HB3 HIS A 6 5.150 -23.417 2.507 1.00 0.00 H new ATOM 0 HD2 HIS A 6 6.181 -24.859 4.738 1.00 0.00 H new ATOM 0 HE1 HIS A 6 10.069 -23.220 4.601 1.00 0.00 H new ATOM 0 HE2 HIS A 6 8.483 -24.664 6.003 1.00 0.00 H new ATOM 98 N ASP A 7 4.213 -24.904 0.021 1.00 0.00 N ATOM 99 CA ASP A 7 3.154 -24.783 -0.977 1.00 0.00 C ATOM 100 C ASP A 7 1.993 -23.954 -0.423 1.00 0.00 C ATOM 101 O ASP A 7 1.843 -23.828 0.792 1.00 0.00 O ATOM 102 CB ASP A 7 2.652 -26.177 -1.365 1.00 0.00 C ATOM 103 CG ASP A 7 3.242 -26.593 -2.707 1.00 0.00 C ATOM 104 OD1 ASP A 7 3.177 -25.801 -3.633 1.00 0.00 O ATOM 105 OD2 ASP A 7 3.753 -27.698 -2.791 1.00 0.00 O ATOM 0 H ASP A 7 4.009 -25.556 0.778 1.00 0.00 H new ATOM 0 HA ASP A 7 3.555 -24.281 -1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.931 -26.899 -0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.564 -26.177 -1.422 1.00 0.00 H new ATOM 110 N PRO A 8 1.171 -23.389 -1.277 1.00 0.00 N ATOM 111 CA PRO A 8 0.010 -22.560 -0.838 1.00 0.00 C ATOM 112 C PRO A 8 -1.095 -23.404 -0.206 1.00 0.00 C ATOM 113 O PRO A 8 -1.816 -22.939 0.677 1.00 0.00 O ATOM 114 CB PRO A 8 -0.481 -21.903 -2.129 1.00 0.00 C ATOM 115 CG PRO A 8 -0.032 -22.805 -3.229 1.00 0.00 C ATOM 116 CD PRO A 8 1.255 -23.473 -2.747 1.00 0.00 C ATOM 0 HA PRO A 8 0.293 -21.840 -0.070 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.566 -21.796 -2.127 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.062 -20.903 -2.245 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.795 -23.550 -3.455 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.144 -22.241 -4.145 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.319 -24.507 -3.085 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.138 -22.959 -3.126 1.00 0.00 H new ATOM 124 N PHE A 9 -1.223 -24.644 -0.668 1.00 0.00 N ATOM 125 CA PHE A 9 -2.245 -25.543 -0.142 1.00 0.00 C ATOM 126 C PHE A 9 -2.103 -25.697 1.369 1.00 0.00 C ATOM 127 O PHE A 9 -3.091 -25.876 2.080 1.00 0.00 O ATOM 128 CB PHE A 9 -2.127 -26.914 -0.809 1.00 0.00 C ATOM 129 CG PHE A 9 -2.461 -26.793 -2.276 1.00 0.00 C ATOM 130 CD1 PHE A 9 -3.793 -26.877 -2.701 1.00 0.00 C ATOM 131 CD2 PHE A 9 -1.439 -26.597 -3.212 1.00 0.00 C ATOM 132 CE1 PHE A 9 -4.102 -26.765 -4.062 1.00 0.00 C ATOM 133 CE2 PHE A 9 -1.748 -26.485 -4.573 1.00 0.00 C ATOM 134 CZ PHE A 9 -3.079 -26.569 -4.998 1.00 0.00 C ATOM 0 H PHE A 9 -0.637 -25.047 -1.399 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.223 -25.114 -0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.116 -27.304 -0.687 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.802 -27.623 -0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.582 -27.028 -1.979 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.412 -26.532 -2.884 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.129 -26.830 -4.390 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.959 -26.334 -5.295 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.317 -26.483 -6.048 1.00 0.00 H new ATOM 144 N THR A 10 -0.868 -25.629 1.851 1.00 0.00 N ATOM 145 CA THR A 10 -0.607 -25.767 3.279 1.00 0.00 C ATOM 146 C THR A 10 -1.387 -24.723 4.075 1.00 0.00 C ATOM 147 O THR A 10 -1.849 -25.000 5.182 1.00 0.00 O ATOM 148 CB THR A 10 0.890 -25.607 3.555 1.00 0.00 C ATOM 149 OG1 THR A 10 1.618 -26.524 2.749 1.00 0.00 O ATOM 150 CG2 THR A 10 1.175 -25.886 5.031 1.00 0.00 C ATOM 0 H THR A 10 -0.037 -25.480 1.279 1.00 0.00 H new ATOM 0 HA THR A 10 -0.931 -26.760 3.591 1.00 0.00 H new ATOM 0 HB THR A 10 1.195 -24.588 3.317 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.577 -26.422 2.923 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.242 -25.771 5.224 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.617 -25.182 5.649 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.870 -26.904 5.274 1.00 0.00 H new ATOM 158 N TYR A 11 -1.522 -23.527 3.503 1.00 0.00 N ATOM 159 CA TYR A 11 -2.242 -22.439 4.164 1.00 0.00 C ATOM 160 C TYR A 11 -3.490 -22.053 3.374 1.00 0.00 C ATOM 161 O TYR A 11 -3.448 -21.928 2.150 1.00 0.00 O ATOM 162 CB TYR A 11 -1.328 -21.218 4.296 1.00 0.00 C ATOM 163 CG TYR A 11 -0.119 -21.580 5.123 1.00 0.00 C ATOM 164 CD1 TYR A 11 -0.208 -21.602 6.519 1.00 0.00 C ATOM 165 CD2 TYR A 11 1.092 -21.893 4.494 1.00 0.00 C ATOM 166 CE1 TYR A 11 0.914 -21.935 7.288 1.00 0.00 C ATOM 167 CE2 TYR A 11 2.214 -22.227 5.261 1.00 0.00 C ATOM 168 CZ TYR A 11 2.125 -22.247 6.658 1.00 0.00 C ATOM 169 OH TYR A 11 3.231 -22.576 7.415 1.00 0.00 O ATOM 0 H TYR A 11 -1.144 -23.287 2.587 1.00 0.00 H new ATOM 0 HA TYR A 11 -2.546 -22.782 5.153 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.017 -20.875 3.309 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.868 -20.395 4.764 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.143 -21.362 7.004 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.160 -21.877 3.416 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.845 -21.951 8.366 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.148 -22.469 4.776 1.00 0.00 H new ATOM 0 HH TYR A 11 3.988 -22.766 6.823 1.00 0.00 H new ATOM 179 N ASP A 12 -4.596 -21.858 4.086 1.00 0.00 N ATOM 180 CA ASP A 12 -5.850 -21.478 3.446 1.00 0.00 C ATOM 181 C ASP A 12 -5.987 -19.957 3.416 1.00 0.00 C ATOM 182 O ASP A 12 -6.963 -19.419 2.893 1.00 0.00 O ATOM 183 CB ASP A 12 -7.030 -22.090 4.204 1.00 0.00 C ATOM 184 CG ASP A 12 -6.981 -23.611 4.105 1.00 0.00 C ATOM 185 OD1 ASP A 12 -6.241 -24.107 3.271 1.00 0.00 O ATOM 186 OD2 ASP A 12 -7.683 -24.257 4.864 1.00 0.00 O ATOM 0 H ASP A 12 -4.649 -21.956 5.100 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.849 -21.853 2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.999 -21.784 5.250 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.969 -21.721 3.792 1.00 0.00 H new ATOM 191 N TYR A 13 -4.995 -19.275 3.980 1.00 0.00 N ATOM 192 CA TYR A 13 -4.995 -17.815 4.017 1.00 0.00 C ATOM 193 C TYR A 13 -4.582 -17.251 2.658 1.00 0.00 C ATOM 194 O TYR A 13 -3.979 -16.181 2.576 1.00 0.00 O ATOM 195 CB TYR A 13 -4.016 -17.326 5.090 1.00 0.00 C ATOM 196 CG TYR A 13 -4.522 -17.707 6.466 1.00 0.00 C ATOM 197 CD1 TYR A 13 -4.536 -19.052 6.862 1.00 0.00 C ATOM 198 CD2 TYR A 13 -4.972 -16.715 7.349 1.00 0.00 C ATOM 199 CE1 TYR A 13 -5.000 -19.403 8.137 1.00 0.00 C ATOM 200 CE2 TYR A 13 -5.436 -17.068 8.623 1.00 0.00 C ATOM 201 CZ TYR A 13 -5.450 -18.411 9.016 1.00 0.00 C ATOM 202 OH TYR A 13 -5.908 -18.756 10.272 1.00 0.00 O ATOM 0 H TYR A 13 -4.182 -19.708 4.417 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.001 -17.470 4.254 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.032 -17.763 4.922 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.901 -16.244 5.023 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.189 -19.818 6.184 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.961 -15.678 7.047 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.010 -20.439 8.441 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.783 -16.303 9.302 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.181 -17.948 10.754 1.00 0.00 H new ATOM 212 N GLN A 14 -4.899 -17.987 1.597 1.00 0.00 N ATOM 213 CA GLN A 14 -4.543 -17.566 0.243 1.00 0.00 C ATOM 214 C GLN A 14 -5.050 -16.157 -0.058 1.00 0.00 C ATOM 215 O GLN A 14 -4.321 -15.330 -0.604 1.00 0.00 O ATOM 216 CB GLN A 14 -5.138 -18.541 -0.774 1.00 0.00 C ATOM 217 CG GLN A 14 -4.578 -19.944 -0.531 1.00 0.00 C ATOM 218 CD GLN A 14 -3.114 -19.999 -0.947 1.00 0.00 C ATOM 219 OE1 GLN A 14 -2.237 -20.539 -0.145 1.00 0.00 O flip ATOM 220 NE2 GLN A 14 -2.757 -19.538 -2.031 1.00 0.00 N flip ATOM 0 H GLN A 14 -5.400 -18.874 1.646 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.455 -17.563 0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.225 -18.553 -0.689 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.901 -18.215 -1.787 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.675 -20.206 0.523 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.153 -20.677 -1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.443 -19.116 -2.657 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.775 -19.578 -2.304 1.00 0.00 H new ATOM 229 N SER A 15 -6.306 -15.894 0.282 1.00 0.00 N ATOM 230 CA SER A 15 -6.897 -14.584 0.026 1.00 0.00 C ATOM 231 C SER A 15 -6.567 -13.596 1.142 1.00 0.00 C ATOM 232 O SER A 15 -6.381 -12.404 0.893 1.00 0.00 O ATOM 233 CB SER A 15 -8.414 -14.717 -0.107 1.00 0.00 C ATOM 234 OG SER A 15 -8.716 -15.598 -1.181 1.00 0.00 O ATOM 0 H SER A 15 -6.931 -16.563 0.732 1.00 0.00 H new ATOM 0 HA SER A 15 -6.476 -14.201 -0.904 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.840 -15.097 0.821 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.862 -13.740 -0.286 1.00 0.00 H new ATOM 0 HG SER A 15 -9.688 -15.687 -1.268 1.00 0.00 H new ATOM 240 N LEU A 16 -6.516 -14.095 2.371 1.00 0.00 N ATOM 241 CA LEU A 16 -6.229 -13.243 3.523 1.00 0.00 C ATOM 242 C LEU A 16 -4.741 -12.901 3.611 1.00 0.00 C ATOM 243 O LEU A 16 -4.353 -11.982 4.335 1.00 0.00 O ATOM 244 CB LEU A 16 -6.672 -13.953 4.804 1.00 0.00 C ATOM 245 CG LEU A 16 -7.223 -12.932 5.804 1.00 0.00 C ATOM 246 CD1 LEU A 16 -8.688 -12.628 5.481 1.00 0.00 C ATOM 247 CD2 LEU A 16 -7.129 -13.505 7.219 1.00 0.00 C ATOM 0 H LEU A 16 -6.668 -15.078 2.597 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.781 -12.311 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.435 -14.696 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.830 -14.487 5.244 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.639 -12.014 5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.075 -11.901 6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.761 -12.220 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.273 -13.546 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.521 -12.780 7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.712 -14.424 7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.087 -13.720 7.456 1.00 0.00 H new ATOM 259 N GLN A 17 -3.910 -13.644 2.885 1.00 0.00 N ATOM 260 CA GLN A 17 -2.469 -13.399 2.916 1.00 0.00 C ATOM 261 C GLN A 17 -2.135 -11.991 2.426 1.00 0.00 C ATOM 262 O GLN A 17 -1.338 -11.288 3.045 1.00 0.00 O ATOM 263 CB GLN A 17 -1.739 -14.421 2.041 1.00 0.00 C ATOM 264 CG GLN A 17 -1.172 -15.543 2.916 1.00 0.00 C ATOM 265 CD GLN A 17 0.085 -15.061 3.633 1.00 0.00 C ATOM 266 OE1 GLN A 17 0.950 -14.437 3.020 1.00 0.00 O ATOM 267 NE2 GLN A 17 0.236 -15.318 4.903 1.00 0.00 N ATOM 0 H GLN A 17 -4.202 -14.409 2.277 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.140 -13.497 3.951 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.424 -14.835 1.301 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.934 -13.934 1.492 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.918 -15.859 3.645 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.939 -16.412 2.301 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.484 -15.836 5.408 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.074 -15.001 5.391 1.00 0.00 H new ATOM 276 N ILE A 18 -2.742 -11.590 1.311 1.00 0.00 N ATOM 277 CA ILE A 18 -2.490 -10.264 0.746 1.00 0.00 C ATOM 278 C ILE A 18 -3.667 -9.325 1.001 1.00 0.00 C ATOM 279 O ILE A 18 -3.708 -8.212 0.474 1.00 0.00 O ATOM 280 CB ILE A 18 -2.253 -10.377 -0.761 1.00 0.00 C ATOM 281 CG1 ILE A 18 -1.836 -11.805 -1.112 1.00 0.00 C ATOM 282 CG2 ILE A 18 -1.142 -9.412 -1.180 1.00 0.00 C ATOM 283 CD1 ILE A 18 -1.437 -11.866 -2.588 1.00 0.00 C ATOM 0 H ILE A 18 -3.406 -12.157 0.784 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.605 -9.854 1.231 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.174 -10.126 -1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.001 -12.117 -0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.657 -12.495 -0.916 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.975 -9.494 -2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.435 -8.391 -0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.223 -9.662 -0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.139 -12.883 -2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.285 -11.571 -3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.603 -11.188 -2.768 1.00 0.00 H new ATOM 295 N GLY A 19 -4.622 -9.776 1.802 1.00 0.00 N ATOM 296 CA GLY A 19 -5.792 -8.958 2.101 1.00 0.00 C ATOM 297 C GLY A 19 -5.423 -7.761 2.974 1.00 0.00 C ATOM 298 O GLY A 19 -5.563 -6.610 2.560 1.00 0.00 O ATOM 0 H GLY A 19 -4.613 -10.691 2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.241 -8.608 1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.542 -9.564 2.609 1.00 0.00 H new ATOM 302 N GLY A 20 -4.969 -8.038 4.191 1.00 0.00 N ATOM 303 CA GLY A 20 -4.607 -6.975 5.124 1.00 0.00 C ATOM 304 C GLY A 20 -3.494 -6.076 4.583 1.00 0.00 C ATOM 305 O GLY A 20 -3.470 -4.875 4.852 1.00 0.00 O ATOM 0 H GLY A 20 -4.843 -8.983 4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.487 -6.369 5.339 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.286 -7.417 6.067 1.00 0.00 H new ATOM 309 N LEU A 21 -2.561 -6.667 3.850 1.00 0.00 N ATOM 310 CA LEU A 21 -1.432 -5.914 3.309 1.00 0.00 C ATOM 311 C LEU A 21 -1.863 -4.864 2.285 1.00 0.00 C ATOM 312 O LEU A 21 -1.408 -3.722 2.334 1.00 0.00 O ATOM 313 CB LEU A 21 -0.446 -6.880 2.650 1.00 0.00 C ATOM 314 CG LEU A 21 0.524 -7.422 3.702 1.00 0.00 C ATOM 315 CD1 LEU A 21 -0.262 -8.080 4.836 1.00 0.00 C ATOM 316 CD2 LEU A 21 1.444 -8.459 3.056 1.00 0.00 C ATOM 0 H LEU A 21 -2.560 -7.660 3.616 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.964 -5.389 4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.986 -7.702 2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.106 -6.370 1.861 1.00 0.00 H new ATOM 0 HG LEU A 21 1.119 -6.601 4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.431 -8.465 5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.921 -7.344 5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.858 -8.901 4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.136 -8.847 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.845 -9.278 2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.007 -7.993 2.247 1.00 0.00 H new ATOM 328 N VAL A 22 -2.706 -5.260 1.341 1.00 0.00 N ATOM 329 CA VAL A 22 -3.146 -4.339 0.296 1.00 0.00 C ATOM 330 C VAL A 22 -4.005 -3.201 0.845 1.00 0.00 C ATOM 331 O VAL A 22 -3.833 -2.045 0.452 1.00 0.00 O ATOM 332 CB VAL A 22 -3.934 -5.102 -0.765 1.00 0.00 C ATOM 333 CG1 VAL A 22 -4.459 -4.120 -1.814 1.00 0.00 C ATOM 334 CG2 VAL A 22 -3.018 -6.122 -1.442 1.00 0.00 C ATOM 0 H VAL A 22 -3.096 -6.200 1.275 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.251 -3.895 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.772 -5.617 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.022 -4.664 -2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.109 -3.389 -1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.620 -3.607 -2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.579 -6.668 -2.200 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.182 -5.604 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.639 -6.822 -0.697 1.00 0.00 H new ATOM 344 N ILE A 23 -4.949 -3.526 1.724 1.00 0.00 N ATOM 345 CA ILE A 23 -5.833 -2.500 2.276 1.00 0.00 C ATOM 346 C ILE A 23 -5.095 -1.551 3.219 1.00 0.00 C ATOM 347 O ILE A 23 -5.249 -0.333 3.126 1.00 0.00 O ATOM 348 CB ILE A 23 -7.007 -3.148 3.007 1.00 0.00 C ATOM 349 CG1 ILE A 23 -6.489 -3.927 4.216 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.742 -4.094 2.054 1.00 0.00 C ATOM 351 CD1 ILE A 23 -7.565 -4.898 4.701 1.00 0.00 C ATOM 0 H ILE A 23 -5.121 -4.472 2.065 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.205 -1.911 1.438 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.696 -2.375 3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.585 -4.474 3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.219 -3.238 5.017 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.580 -4.557 2.575 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.113 -3.531 1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.057 -4.868 1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.193 -5.452 5.563 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.457 -4.340 4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.813 -5.595 3.901 1.00 0.00 H new ATOM 363 N ALA A 24 -4.296 -2.100 4.129 1.00 0.00 N ATOM 364 CA ALA A 24 -3.560 -1.259 5.069 1.00 0.00 C ATOM 365 C ALA A 24 -2.675 -0.278 4.311 1.00 0.00 C ATOM 366 O ALA A 24 -2.573 0.897 4.671 1.00 0.00 O ATOM 367 CB ALA A 24 -2.693 -2.120 5.991 1.00 0.00 C ATOM 0 H ALA A 24 -4.143 -3.103 4.236 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.280 -0.706 5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.151 -1.478 6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.328 -2.806 6.552 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.982 -2.690 5.394 1.00 0.00 H new ATOM 373 N GLY A 25 -2.037 -0.772 3.258 1.00 0.00 N ATOM 374 CA GLY A 25 -1.159 0.059 2.452 1.00 0.00 C ATOM 375 C GLY A 25 -1.921 1.216 1.811 1.00 0.00 C ATOM 376 O GLY A 25 -1.421 2.338 1.760 1.00 0.00 O ATOM 0 H GLY A 25 -2.112 -1.740 2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.355 0.451 3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.694 -0.547 1.675 1.00 0.00 H new ATOM 380 N ILE A 26 -3.121 0.937 1.305 1.00 0.00 N ATOM 381 CA ILE A 26 -3.914 1.973 0.651 1.00 0.00 C ATOM 382 C ILE A 26 -4.274 3.103 1.621 1.00 0.00 C ATOM 383 O ILE A 26 -4.308 4.269 1.231 1.00 0.00 O ATOM 384 CB ILE A 26 -5.177 1.355 0.012 1.00 0.00 C ATOM 385 CG1 ILE A 26 -5.371 1.944 -1.392 1.00 0.00 C ATOM 386 CG2 ILE A 26 -6.431 1.643 0.853 1.00 0.00 C ATOM 387 CD1 ILE A 26 -6.639 1.362 -2.021 1.00 0.00 C ATOM 0 H ILE A 26 -3.559 0.016 1.335 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.310 2.415 -0.141 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.039 0.275 -0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.447 3.030 -1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.506 1.717 -2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.301 1.194 0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.306 1.219 1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.576 2.720 0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.776 1.781 -3.018 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.545 0.278 -2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.500 1.612 -1.401 1.00 0.00 H new ATOM 399 N LEU A 27 -4.537 2.767 2.881 1.00 0.00 N ATOM 400 CA LEU A 27 -4.881 3.792 3.864 1.00 0.00 C ATOM 401 C LEU A 27 -3.692 4.726 4.090 1.00 0.00 C ATOM 402 O LEU A 27 -3.835 5.947 4.092 1.00 0.00 O ATOM 403 CB LEU A 27 -5.292 3.134 5.186 1.00 0.00 C ATOM 404 CG LEU A 27 -5.836 4.193 6.159 1.00 0.00 C ATOM 405 CD1 LEU A 27 -7.129 4.815 5.613 1.00 0.00 C ATOM 406 CD2 LEU A 27 -6.127 3.537 7.510 1.00 0.00 C ATOM 0 H LEU A 27 -4.520 1.813 3.241 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.719 4.377 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.052 2.374 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.435 2.627 5.630 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.088 4.978 6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.498 5.562 6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.927 5.289 4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.881 4.036 5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.513 4.285 8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.867 2.748 7.379 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.208 3.110 7.912 1.00 0.00 H new ATOM 418 N PHE A 28 -2.524 4.124 4.282 1.00 0.00 N ATOM 419 CA PHE A 28 -1.283 4.858 4.510 1.00 0.00 C ATOM 420 C PHE A 28 -0.851 5.622 3.259 1.00 0.00 C ATOM 421 O PHE A 28 -0.322 6.722 3.360 1.00 0.00 O ATOM 422 CB PHE A 28 -0.169 3.883 4.905 1.00 0.00 C ATOM 423 CG PHE A 28 -0.187 3.652 6.401 1.00 0.00 C ATOM 424 CD1 PHE A 28 -1.372 3.257 7.036 1.00 0.00 C ATOM 425 CD2 PHE A 28 0.985 3.824 7.153 1.00 0.00 C ATOM 426 CE1 PHE A 28 -1.386 3.037 8.419 1.00 0.00 C ATOM 427 CE2 PHE A 28 0.969 3.602 8.535 1.00 0.00 C ATOM 428 CZ PHE A 28 -0.217 3.209 9.168 1.00 0.00 C ATOM 0 H PHE A 28 -2.410 3.110 4.284 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.462 5.574 5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.301 2.936 4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.799 4.282 4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.275 3.122 6.459 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.900 4.128 6.666 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.300 2.734 8.908 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.872 3.734 9.113 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.229 3.039 10.234 1.00 0.00 H new ATOM 438 N ILE A 29 -1.075 5.037 2.080 1.00 0.00 N ATOM 439 CA ILE A 29 -0.689 5.708 0.836 1.00 0.00 C ATOM 440 C ILE A 29 -1.548 6.946 0.687 1.00 0.00 C ATOM 441 O ILE A 29 -1.054 8.030 0.375 1.00 0.00 O ATOM 442 CB ILE A 29 -0.805 4.756 -0.384 1.00 0.00 C ATOM 443 CG1 ILE A 29 0.421 4.961 -1.291 1.00 0.00 C ATOM 444 CG2 ILE A 29 -2.087 5.021 -1.196 1.00 0.00 C ATOM 445 CD1 ILE A 29 0.329 4.038 -2.508 1.00 0.00 C ATOM 0 H ILE A 29 -1.511 4.123 1.960 1.00 0.00 H new ATOM 0 HA ILE A 29 0.360 6.002 0.877 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.849 3.731 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.475 6.000 -1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.335 4.753 -0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.131 4.334 -2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.959 4.869 -0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.080 6.047 -1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.200 4.189 -3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.297 3.000 -2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.576 4.267 -3.071 1.00 0.00 H new ATOM 457 N LEU A 30 -2.817 6.793 1.022 1.00 0.00 N ATOM 458 CA LEU A 30 -3.722 7.902 1.037 1.00 0.00 C ATOM 459 C LEU A 30 -3.196 8.798 2.121 1.00 0.00 C ATOM 460 O LEU A 30 -3.281 10.017 2.055 1.00 0.00 O ATOM 461 CB LEU A 30 -5.149 7.446 1.359 1.00 0.00 C ATOM 462 CG LEU A 30 -5.962 7.339 0.067 1.00 0.00 C ATOM 463 CD1 LEU A 30 -7.182 6.448 0.305 1.00 0.00 C ATOM 464 CD2 LEU A 30 -6.431 8.732 -0.360 1.00 0.00 C ATOM 0 H LEU A 30 -3.235 5.901 1.287 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.776 8.401 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.127 6.482 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.622 8.154 2.040 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.339 6.907 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.762 6.371 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.853 5.455 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.802 6.882 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.010 8.655 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.053 9.163 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.565 9.372 -0.529 1.00 0.00 H new ATOM 476 N GLY A 31 -2.648 8.138 3.137 1.00 0.00 N ATOM 477 CA GLY A 31 -2.087 8.843 4.286 1.00 0.00 C ATOM 478 C GLY A 31 -0.991 9.821 3.867 1.00 0.00 C ATOM 479 O GLY A 31 -1.005 10.989 4.260 1.00 0.00 O ATOM 0 H GLY A 31 -2.580 7.122 3.189 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.879 9.384 4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.680 8.121 4.993 1.00 0.00 H new ATOM 483 N ILE A 32 -0.036 9.337 3.079 1.00 0.00 N ATOM 484 CA ILE A 32 1.071 10.172 2.625 1.00 0.00 C ATOM 485 C ILE A 32 0.604 11.215 1.612 1.00 0.00 C ATOM 486 O ILE A 32 0.990 12.381 1.689 1.00 0.00 O ATOM 487 CB ILE A 32 2.152 9.293 1.992 1.00 0.00 C ATOM 488 CG1 ILE A 32 2.630 8.261 3.016 1.00 0.00 C ATOM 489 CG2 ILE A 32 3.331 10.163 1.554 1.00 0.00 C ATOM 490 CD1 ILE A 32 3.472 7.193 2.316 1.00 0.00 C ATOM 0 H ILE A 32 -0.006 8.375 2.743 1.00 0.00 H new ATOM 0 HA ILE A 32 1.476 10.696 3.491 1.00 0.00 H new ATOM 0 HB ILE A 32 1.740 8.781 1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.218 8.750 3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.774 7.799 3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.099 9.535 1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.990 10.898 0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.745 10.678 2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.811 6.460 3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.870 6.696 1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.336 7.662 1.845 1.00 0.00 H new ATOM 502 N LEU A 33 -0.223 10.792 0.660 1.00 0.00 N ATOM 503 CA LEU A 33 -0.723 11.709 -0.361 1.00 0.00 C ATOM 504 C LEU A 33 -1.575 12.802 0.277 1.00 0.00 C ATOM 505 O LEU A 33 -1.427 13.983 -0.037 1.00 0.00 O ATOM 506 CB LEU A 33 -1.559 10.941 -1.391 1.00 0.00 C ATOM 507 CG LEU A 33 -0.683 9.935 -2.152 1.00 0.00 C ATOM 508 CD1 LEU A 33 -1.561 9.120 -3.101 1.00 0.00 C ATOM 509 CD2 LEU A 33 0.388 10.667 -2.971 1.00 0.00 C ATOM 0 H LEU A 33 -0.558 9.832 0.574 1.00 0.00 H new ATOM 0 HA LEU A 33 0.129 12.171 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.373 10.417 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.014 11.640 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.194 9.280 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.943 8.404 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.318 8.585 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.049 9.789 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.000 9.939 -3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.094 11.331 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.020 11.252 -2.303 1.00 0.00 H new ATOM 521 N ILE A 34 -2.470 12.394 1.166 1.00 0.00 N ATOM 522 CA ILE A 34 -3.353 13.349 1.841 1.00 0.00 C ATOM 523 C ILE A 34 -2.558 14.371 2.648 1.00 0.00 C ATOM 524 O ILE A 34 -2.864 15.563 2.623 1.00 0.00 O ATOM 525 CB ILE A 34 -4.318 12.619 2.779 1.00 0.00 C ATOM 526 CG1 ILE A 34 -5.392 11.903 1.957 1.00 0.00 C ATOM 527 CG2 ILE A 34 -4.986 13.632 3.711 1.00 0.00 C ATOM 528 CD1 ILE A 34 -6.097 10.867 2.833 1.00 0.00 C ATOM 0 H ILE A 34 -2.607 11.421 1.438 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.914 13.871 1.066 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.764 11.888 3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.114 12.625 1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.940 11.417 1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.673 13.113 4.379 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.224 14.143 4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.537 14.363 3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.862 10.356 2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.370 10.139 3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.562 11.366 3.683 1.00 0.00 H new ATOM 540 N VAL A 35 -1.547 13.904 3.374 1.00 0.00 N ATOM 541 CA VAL A 35 -0.736 14.802 4.193 1.00 0.00 C ATOM 542 C VAL A 35 -0.124 15.911 3.342 1.00 0.00 C ATOM 543 O VAL A 35 -0.239 17.090 3.672 1.00 0.00 O ATOM 544 CB VAL A 35 0.376 14.018 4.891 1.00 0.00 C ATOM 545 CG1 VAL A 35 1.425 14.992 5.431 1.00 0.00 C ATOM 546 CG2 VAL A 35 -0.218 13.220 6.052 1.00 0.00 C ATOM 0 H VAL A 35 -1.271 12.923 3.413 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.385 15.255 4.942 1.00 0.00 H new ATOM 0 HB VAL A 35 0.843 13.337 4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.218 14.434 5.929 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.848 15.566 4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.958 15.672 6.144 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.573 12.660 6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.683 13.903 6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.968 12.527 5.671 1.00 0.00 H new ATOM 556 N LEU A 36 0.526 15.530 2.250 1.00 0.00 N ATOM 557 CA LEU A 36 1.145 16.514 1.368 1.00 0.00 C ATOM 558 C LEU A 36 0.080 17.377 0.694 1.00 0.00 C ATOM 559 O LEU A 36 0.302 18.554 0.419 1.00 0.00 O ATOM 560 CB LEU A 36 1.990 15.808 0.306 1.00 0.00 C ATOM 561 CG LEU A 36 3.216 15.180 0.970 1.00 0.00 C ATOM 562 CD1 LEU A 36 3.642 13.939 0.185 1.00 0.00 C ATOM 563 CD2 LEU A 36 4.366 16.192 0.982 1.00 0.00 C ATOM 0 H LEU A 36 0.638 14.560 1.955 1.00 0.00 H new ATOM 0 HA LEU A 36 1.788 17.159 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.399 15.040 -0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.301 16.519 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 36 2.968 14.897 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.516 13.491 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.825 13.217 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.889 14.223 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.240 15.744 1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.613 16.475 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.065 17.078 1.541 1.00 0.00 H new ATOM 575 N SER A 37 -1.075 16.774 0.428 1.00 0.00 N ATOM 576 CA SER A 37 -2.174 17.486 -0.219 1.00 0.00 C ATOM 577 C SER A 37 -2.664 18.648 0.644 1.00 0.00 C ATOM 578 O SER A 37 -3.066 19.689 0.125 1.00 0.00 O ATOM 579 CB SER A 37 -3.333 16.527 -0.488 1.00 0.00 C ATOM 580 OG SER A 37 -2.886 15.475 -1.333 1.00 0.00 O ATOM 0 H SER A 37 -1.274 15.798 0.649 1.00 0.00 H new ATOM 0 HA SER A 37 -1.804 17.888 -1.162 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.709 16.120 0.451 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.160 17.060 -0.958 1.00 0.00 H new ATOM 0 HG SER A 37 -2.536 14.742 -0.785 1.00 0.00 H new ATOM 586 N ARG A 38 -2.640 18.461 1.961 1.00 0.00 N ATOM 587 CA ARG A 38 -3.098 19.503 2.878 1.00 0.00 C ATOM 588 C ARG A 38 -2.317 20.794 2.652 1.00 0.00 C ATOM 589 O ARG A 38 -2.867 21.888 2.764 1.00 0.00 O ATOM 590 CB ARG A 38 -2.934 19.018 4.331 1.00 0.00 C ATOM 591 CG ARG A 38 -2.606 20.189 5.271 1.00 0.00 C ATOM 592 CD ARG A 38 -2.791 19.743 6.724 1.00 0.00 C ATOM 593 NE ARG A 38 -2.785 18.288 6.818 1.00 0.00 N ATOM 594 CZ ARG A 38 -2.534 17.679 7.972 1.00 0.00 C ATOM 595 NH1 ARG A 38 -2.285 18.387 9.041 1.00 0.00 N ATOM 596 NH2 ARG A 38 -2.533 16.376 8.039 1.00 0.00 N ATOM 0 H ARG A 38 -2.312 17.608 2.414 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.152 19.708 2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.851 18.529 4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.140 18.273 4.382 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.581 20.523 5.109 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.256 21.037 5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.993 20.156 7.341 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.731 20.134 7.114 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.976 17.730 5.986 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.283 19.406 8.989 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.092 17.921 9.928 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.725 15.822 7.204 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.340 15.911 8.926 1.00 0.00 H new ATOM 610 N ARG A 39 -1.035 20.662 2.332 1.00 0.00 N ATOM 611 CA ARG A 39 -0.199 21.832 2.095 1.00 0.00 C ATOM 612 C ARG A 39 -0.675 22.593 0.862 1.00 0.00 C ATOM 613 O ARG A 39 -0.489 23.804 0.761 1.00 0.00 O ATOM 614 CB ARG A 39 1.259 21.409 1.905 1.00 0.00 C ATOM 615 CG ARG A 39 1.731 20.633 3.137 1.00 0.00 C ATOM 616 CD ARG A 39 3.157 21.053 3.489 1.00 0.00 C ATOM 617 NE ARG A 39 4.048 20.818 2.358 1.00 0.00 N ATOM 618 CZ ARG A 39 5.367 20.803 2.517 1.00 0.00 C ATOM 619 NH1 ARG A 39 5.884 21.001 3.698 1.00 0.00 N ATOM 620 NH2 ARG A 39 6.146 20.590 1.491 1.00 0.00 N ATOM 0 H ARG A 39 -0.556 19.767 2.232 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.275 22.486 2.963 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.356 20.790 1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.887 22.287 1.753 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.066 20.826 3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.694 19.561 2.941 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.176 22.108 3.762 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.505 20.493 4.357 1.00 0.00 H new ATOM 0 HE ARG A 39 3.652 20.663 1.431 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.276 21.167 4.500 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.897 20.989 3.820 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.742 20.435 0.567 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.159 20.579 1.613 1.00 0.00 H new ATOM 634 N CYS A 40 -1.281 21.875 -0.077 1.00 0.00 N ATOM 635 CA CYS A 40 -1.768 22.498 -1.305 1.00 0.00 C ATOM 636 C CYS A 40 -2.834 23.551 -1.007 1.00 0.00 C ATOM 637 O CYS A 40 -2.849 24.616 -1.623 1.00 0.00 O ATOM 638 CB CYS A 40 -2.346 21.432 -2.239 1.00 0.00 C ATOM 639 SG CYS A 40 -4.124 21.266 -1.944 1.00 0.00 S ATOM 0 H CYS A 40 -1.446 20.870 -0.014 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.925 22.991 -1.789 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.164 21.707 -3.278 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.848 20.477 -2.070 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.323 20.517 -0.900 1.00 0.00 H new ATOM 645 N ARG A 41 -3.726 23.249 -0.068 1.00 0.00 N ATOM 646 CA ARG A 41 -4.790 24.185 0.287 1.00 0.00 C ATOM 647 C ARG A 41 -4.215 25.470 0.874 1.00 0.00 C ATOM 648 O ARG A 41 -4.597 26.570 0.476 1.00 0.00 O ATOM 649 CB ARG A 41 -5.735 23.541 1.306 1.00 0.00 C ATOM 650 CG ARG A 41 -6.961 24.436 1.503 1.00 0.00 C ATOM 651 CD ARG A 41 -7.882 23.822 2.558 1.00 0.00 C ATOM 652 NE ARG A 41 -9.054 24.667 2.756 1.00 0.00 N ATOM 653 CZ ARG A 41 -10.040 24.300 3.567 1.00 0.00 C ATOM 654 NH1 ARG A 41 -9.974 23.160 4.201 1.00 0.00 N ATOM 655 NH2 ARG A 41 -11.076 25.077 3.729 1.00 0.00 N ATOM 0 H ARG A 41 -3.735 22.374 0.456 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.340 24.431 -0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.044 22.555 0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.220 23.398 2.256 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.649 25.433 1.814 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.496 24.549 0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.192 22.825 2.245 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.344 23.708 3.499 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.118 25.557 2.262 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.165 22.552 4.073 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.731 22.878 4.824 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.129 25.967 3.233 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.833 24.795 4.352 1.00 0.00 H new ATOM 669 N CYS A 42 -3.306 25.323 1.829 1.00 0.00 N ATOM 670 CA CYS A 42 -2.697 26.482 2.473 1.00 0.00 C ATOM 671 C CYS A 42 -1.722 27.183 1.527 1.00 0.00 C ATOM 672 O CYS A 42 -1.583 28.405 1.560 1.00 0.00 O ATOM 673 CB CYS A 42 -1.964 26.039 3.743 1.00 0.00 C ATOM 674 SG CYS A 42 -3.112 26.068 5.146 1.00 0.00 S ATOM 0 H CYS A 42 -2.976 24.422 2.173 1.00 0.00 H new ATOM 0 HA CYS A 42 -3.486 27.187 2.734 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.560 25.035 3.611 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.119 26.700 3.937 1.00 0.00 H new ATOM 0 HG CYS A 42 -2.490 25.690 6.223 1.00 0.00 H new ATOM 680 N LYS A 43 -1.046 26.399 0.692 1.00 0.00 N ATOM 681 CA LYS A 43 -0.078 26.949 -0.257 1.00 0.00 C ATOM 682 C LYS A 43 -0.770 27.567 -1.474 1.00 0.00 C ATOM 683 O LYS A 43 -0.221 28.459 -2.123 1.00 0.00 O ATOM 684 CB LYS A 43 0.870 25.841 -0.723 1.00 0.00 C ATOM 685 CG LYS A 43 2.061 26.452 -1.466 1.00 0.00 C ATOM 686 CD LYS A 43 2.259 25.729 -2.802 1.00 0.00 C ATOM 687 CE LYS A 43 2.512 24.239 -2.552 1.00 0.00 C ATOM 688 NZ LYS A 43 3.541 23.741 -3.507 1.00 0.00 N ATOM 0 H LYS A 43 -1.149 25.385 0.652 1.00 0.00 H new ATOM 0 HA LYS A 43 0.480 27.735 0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.221 25.266 0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.340 25.148 -1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.889 27.515 -1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.963 26.369 -0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.377 25.857 -3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.100 26.165 -3.341 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.847 24.084 -1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.586 23.677 -2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.712 22.729 -3.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.204 23.876 -4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.426 24.270 -3.370 1.00 0.00 H new ATOM 702 N PHE A 44 -1.963 27.079 -1.794 1.00 0.00 N ATOM 703 CA PHE A 44 -2.697 27.586 -2.952 1.00 0.00 C ATOM 704 C PHE A 44 -3.157 29.022 -2.734 1.00 0.00 C ATOM 705 O PHE A 44 -3.338 29.775 -3.693 1.00 0.00 O ATOM 706 CB PHE A 44 -3.913 26.709 -3.237 1.00 0.00 C ATOM 707 CG PHE A 44 -4.966 27.533 -3.937 1.00 0.00 C ATOM 708 CD1 PHE A 44 -4.955 27.650 -5.332 1.00 0.00 C ATOM 709 CD2 PHE A 44 -5.955 28.183 -3.188 1.00 0.00 C ATOM 710 CE1 PHE A 44 -5.934 28.416 -5.979 1.00 0.00 C ATOM 711 CE2 PHE A 44 -6.934 28.948 -3.835 1.00 0.00 C ATOM 712 CZ PHE A 44 -6.923 29.064 -5.230 1.00 0.00 C ATOM 0 H PHE A 44 -2.440 26.341 -1.276 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.018 27.562 -3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.627 25.860 -3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.310 26.304 -2.306 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.192 27.150 -5.910 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.963 28.094 -2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.925 28.506 -7.055 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.697 29.448 -3.258 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.678 29.654 -5.729 1.00 0.00 H new ATOM 722 N ASN A 45 -3.357 29.397 -1.476 1.00 0.00 N ATOM 723 CA ASN A 45 -3.807 30.748 -1.165 1.00 0.00 C ATOM 724 C ASN A 45 -2.619 31.653 -0.867 1.00 0.00 C ATOM 725 O ASN A 45 -1.925 31.474 0.133 1.00 0.00 O ATOM 726 CB ASN A 45 -4.755 30.729 0.035 1.00 0.00 C ATOM 727 CG ASN A 45 -6.164 31.104 -0.410 1.00 0.00 C ATOM 728 OD1 ASN A 45 -7.127 30.411 -0.080 1.00 0.00 O ATOM 729 ND2 ASN A 45 -6.345 32.168 -1.145 1.00 0.00 N ATOM 0 H ASN A 45 -3.217 28.794 -0.665 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.338 31.139 -2.033 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.760 29.739 0.490 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.407 31.428 0.796 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.285 32.426 -1.446 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.547 32.741 -1.418 1.00 0.00 H new ATOM 736 N GLN A 46 -2.391 32.628 -1.742 1.00 0.00 N ATOM 737 CA GLN A 46 -1.285 33.558 -1.558 1.00 0.00 C ATOM 738 C GLN A 46 -1.420 34.277 -0.224 1.00 0.00 C ATOM 739 O GLN A 46 -0.428 34.537 0.458 1.00 0.00 O ATOM 740 CB GLN A 46 -1.265 34.581 -2.696 1.00 0.00 C ATOM 741 CG GLN A 46 0.043 35.373 -2.648 1.00 0.00 C ATOM 742 CD GLN A 46 0.106 36.344 -3.822 1.00 0.00 C ATOM 743 OE1 GLN A 46 -0.783 36.350 -4.673 1.00 0.00 O ATOM 744 NE2 GLN A 46 1.113 37.169 -3.921 1.00 0.00 N ATOM 0 H GLN A 46 -2.952 32.793 -2.578 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.351 32.996 -1.566 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.361 34.074 -3.656 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.115 35.257 -2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.112 35.921 -1.708 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.893 34.691 -2.683 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.849 37.163 -3.215 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.164 37.820 -4.705 1.00 0.00 H new ATOM 753 N GLN A 47 -2.656 34.589 0.145 1.00 0.00 N ATOM 754 CA GLN A 47 -2.917 35.274 1.404 1.00 0.00 C ATOM 755 C GLN A 47 -2.476 34.411 2.585 1.00 0.00 C ATOM 756 O GLN A 47 -1.921 34.919 3.560 1.00 0.00 O ATOM 757 CB GLN A 47 -4.409 35.597 1.523 1.00 0.00 C ATOM 758 CG GLN A 47 -5.233 34.325 1.307 1.00 0.00 C ATOM 759 CD GLN A 47 -6.719 34.666 1.273 1.00 0.00 C ATOM 760 OE1 GLN A 47 -7.227 35.125 0.249 1.00 0.00 O ATOM 761 NE2 GLN A 47 -7.451 34.468 2.335 1.00 0.00 N ATOM 0 H GLN A 47 -3.489 34.380 -0.406 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.346 36.203 1.419 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.622 36.017 2.506 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.687 36.351 0.787 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.940 33.846 0.373 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.033 33.612 2.107 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.029 34.088 3.182 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.446 34.693 2.318 1.00 0.00 H new ATOM 770 N GLN A 48 -2.721 33.106 2.491 1.00 0.00 N ATOM 771 CA GLN A 48 -2.336 32.190 3.561 1.00 0.00 C ATOM 772 C GLN A 48 -0.819 32.032 3.614 1.00 0.00 C ATOM 773 O GLN A 48 -0.218 32.089 4.687 1.00 0.00 O ATOM 774 CB GLN A 48 -2.981 30.819 3.337 1.00 0.00 C ATOM 775 CG GLN A 48 -4.465 30.880 3.704 1.00 0.00 C ATOM 776 CD GLN A 48 -4.681 30.307 5.100 1.00 0.00 C ATOM 777 OE1 GLN A 48 -5.644 29.575 5.330 1.00 0.00 O ATOM 778 NE2 GLN A 48 -3.835 30.597 6.051 1.00 0.00 N ATOM 0 H GLN A 48 -3.179 32.663 1.694 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.682 32.606 4.507 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.866 30.518 2.296 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.477 30.066 3.943 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.815 31.912 3.667 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.051 30.318 2.977 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.038 31.204 5.857 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.971 30.217 6.988 1.00 0.00 H new ATOM 787 N ARG A 49 -0.209 31.829 2.451 1.00 0.00 N ATOM 788 CA ARG A 49 1.237 31.660 2.379 1.00 0.00 C ATOM 789 C ARG A 49 1.752 32.037 0.993 1.00 0.00 C ATOM 790 O ARG A 49 1.032 31.924 0.002 1.00 0.00 O ATOM 791 CB ARG A 49 1.603 30.205 2.683 1.00 0.00 C ATOM 792 CG ARG A 49 3.125 30.057 2.730 1.00 0.00 C ATOM 793 CD ARG A 49 3.486 28.625 3.122 1.00 0.00 C ATOM 794 NE ARG A 49 4.934 28.465 3.174 1.00 0.00 N ATOM 795 CZ ARG A 49 5.634 28.164 2.085 1.00 0.00 C ATOM 796 NH1 ARG A 49 5.028 28.026 0.937 1.00 0.00 N ATOM 797 NH2 ARG A 49 6.927 28.010 2.163 1.00 0.00 N ATOM 0 H ARG A 49 -0.689 31.778 1.552 1.00 0.00 H new ATOM 0 HA ARG A 49 1.701 32.316 3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.169 29.902 3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.187 29.548 1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.555 30.298 1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.547 30.759 3.449 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.052 28.386 4.093 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.062 27.925 2.402 1.00 0.00 H new ATOM 0 HE ARG A 49 5.419 28.586 4.063 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.017 28.149 0.876 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.565 27.795 0.101 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.401 28.121 3.060 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.464 27.779 1.327 1.00 0.00 H new ATOM 811 N THR A 50 3.003 32.481 0.932 1.00 0.00 N ATOM 812 CA THR A 50 3.600 32.866 -0.341 1.00 0.00 C ATOM 813 C THR A 50 4.129 31.638 -1.077 1.00 0.00 C ATOM 814 O THR A 50 4.744 30.759 -0.474 1.00 0.00 O ATOM 815 CB THR A 50 4.745 33.853 -0.104 1.00 0.00 C ATOM 816 OG1 THR A 50 4.240 35.016 0.536 1.00 0.00 O ATOM 817 CG2 THR A 50 5.377 34.239 -1.443 1.00 0.00 C ATOM 0 H THR A 50 3.617 32.582 1.740 1.00 0.00 H new ATOM 0 HA THR A 50 2.832 33.340 -0.952 1.00 0.00 H new ATOM 0 HB THR A 50 5.500 33.387 0.529 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.972 35.649 0.690 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.192 34.942 -1.271 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.765 33.346 -1.933 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.625 34.704 -2.080 1.00 0.00 H new ATOM 825 N GLY A 51 3.883 31.585 -2.382 1.00 0.00 N ATOM 826 CA GLY A 51 4.338 30.460 -3.191 1.00 0.00 C ATOM 827 C GLY A 51 4.148 30.744 -4.676 1.00 0.00 C ATOM 828 O GLY A 51 4.227 31.893 -5.113 1.00 0.00 O ATOM 0 H GLY A 51 3.375 32.302 -2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.390 30.262 -2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.785 29.562 -2.915 1.00 0.00 H new ATOM 832 N GLU A 52 3.895 29.691 -5.447 1.00 0.00 N ATOM 833 CA GLU A 52 3.693 29.835 -6.885 1.00 0.00 C ATOM 834 C GLU A 52 2.202 29.666 -7.238 1.00 0.00 C ATOM 835 O GLU A 52 1.717 28.536 -7.283 1.00 0.00 O ATOM 836 CB GLU A 52 4.499 28.758 -7.615 1.00 0.00 C ATOM 837 CG GLU A 52 4.705 29.173 -9.073 1.00 0.00 C ATOM 838 CD GLU A 52 6.004 29.959 -9.213 1.00 0.00 C ATOM 839 OE1 GLU A 52 6.158 30.943 -8.506 1.00 0.00 O ATOM 840 OE2 GLU A 52 6.826 29.568 -10.024 1.00 0.00 O ATOM 0 H GLU A 52 3.825 28.733 -5.103 1.00 0.00 H new ATOM 0 HA GLU A 52 4.022 30.828 -7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.463 28.617 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.975 27.803 -7.568 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.735 28.289 -9.711 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.865 29.781 -9.409 1.00 0.00 H new ATOM 847 N PRO A 53 1.458 30.730 -7.493 1.00 0.00 N ATOM 848 CA PRO A 53 0.008 30.607 -7.846 1.00 0.00 C ATOM 849 C PRO A 53 -0.218 29.671 -9.030 1.00 0.00 C ATOM 850 O PRO A 53 -1.350 29.286 -9.321 1.00 0.00 O ATOM 851 CB PRO A 53 -0.420 32.035 -8.195 1.00 0.00 C ATOM 852 CG PRO A 53 0.573 32.925 -7.530 1.00 0.00 C ATOM 853 CD PRO A 53 1.884 32.144 -7.474 1.00 0.00 C ATOM 0 HA PRO A 53 -0.569 30.179 -7.026 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.425 32.190 -9.274 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.430 32.240 -7.839 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.698 33.853 -8.088 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.240 33.198 -6.528 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.525 32.379 -8.323 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.450 32.378 -6.573 1.00 0.00 H new ATOM 861 N ASP A 54 0.866 29.310 -9.708 1.00 0.00 N ATOM 862 CA ASP A 54 0.773 28.419 -10.860 1.00 0.00 C ATOM 863 C ASP A 54 -0.073 27.195 -10.522 1.00 0.00 C ATOM 864 O ASP A 54 -0.758 26.645 -11.385 1.00 0.00 O ATOM 865 CB ASP A 54 2.171 27.973 -11.288 1.00 0.00 C ATOM 866 CG ASP A 54 2.091 27.187 -12.593 1.00 0.00 C ATOM 867 OD1 ASP A 54 2.132 27.810 -13.641 1.00 0.00 O ATOM 868 OD2 ASP A 54 1.988 25.974 -12.523 1.00 0.00 O ATOM 0 H ASP A 54 1.812 29.617 -9.483 1.00 0.00 H new ATOM 0 HA ASP A 54 0.298 28.960 -11.678 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.816 28.842 -11.416 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.619 27.356 -10.509 1.00 0.00 H new ATOM 873 N GLU A 55 -0.018 26.772 -9.263 1.00 0.00 N ATOM 874 CA GLU A 55 -0.784 25.610 -8.825 1.00 0.00 C ATOM 875 C GLU A 55 -2.272 25.937 -8.771 1.00 0.00 C ATOM 876 O GLU A 55 -2.747 26.556 -7.820 1.00 0.00 O ATOM 877 CB GLU A 55 -0.308 25.165 -7.440 1.00 0.00 C ATOM 878 CG GLU A 55 0.516 23.883 -7.568 1.00 0.00 C ATOM 879 CD GLU A 55 1.719 24.126 -8.471 1.00 0.00 C ATOM 880 OE1 GLU A 55 2.117 25.272 -8.601 1.00 0.00 O ATOM 881 OE2 GLU A 55 2.226 23.162 -9.022 1.00 0.00 O ATOM 0 H GLU A 55 0.544 27.212 -8.534 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.627 24.804 -9.542 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.292 25.951 -6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.164 24.995 -6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.850 23.556 -6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.101 23.083 -7.978 1.00 0.00 H new ATOM 888 N GLU A 56 -3.006 25.511 -9.796 1.00 0.00 N ATOM 889 CA GLU A 56 -4.441 25.763 -9.847 1.00 0.00 C ATOM 890 C GLU A 56 -5.152 24.988 -8.744 1.00 0.00 C ATOM 891 O GLU A 56 -6.213 25.394 -8.268 1.00 0.00 O ATOM 892 CB GLU A 56 -5.001 25.347 -11.209 1.00 0.00 C ATOM 893 CG GLU A 56 -4.345 26.186 -12.309 1.00 0.00 C ATOM 894 CD GLU A 56 -5.034 25.922 -13.643 1.00 0.00 C ATOM 895 OE1 GLU A 56 -5.824 24.993 -13.708 1.00 0.00 O ATOM 896 OE2 GLU A 56 -4.762 26.652 -14.582 1.00 0.00 O ATOM 0 H GLU A 56 -2.635 24.995 -10.594 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.611 26.830 -9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.812 24.288 -11.384 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.082 25.485 -11.227 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.411 27.245 -12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.285 25.941 -12.382 1.00 0.00 H new ATOM 903 N GLU A 57 -4.556 23.869 -8.340 1.00 0.00 N ATOM 904 CA GLU A 57 -5.136 23.043 -7.290 1.00 0.00 C ATOM 905 C GLU A 57 -5.312 23.854 -6.010 1.00 0.00 C ATOM 906 O GLU A 57 -4.537 24.768 -5.731 1.00 0.00 O ATOM 907 CB GLU A 57 -4.233 21.838 -7.015 1.00 0.00 C ATOM 908 CG GLU A 57 -4.135 20.974 -8.275 1.00 0.00 C ATOM 909 CD GLU A 57 -3.300 19.730 -7.991 1.00 0.00 C ATOM 910 OE1 GLU A 57 -2.774 19.632 -6.896 1.00 0.00 O ATOM 911 OE2 GLU A 57 -3.198 18.895 -8.875 1.00 0.00 O ATOM 0 H GLU A 57 -3.678 23.517 -8.722 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.113 22.694 -7.623 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.241 22.175 -6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.634 21.251 -6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.132 20.685 -8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.684 21.547 -9.085 1.00 0.00 H new ATOM 918 N GLY A 58 -6.340 23.517 -5.241 1.00 0.00 N ATOM 919 CA GLY A 58 -6.618 24.222 -3.995 1.00 0.00 C ATOM 920 C GLY A 58 -8.107 24.511 -3.876 1.00 0.00 C ATOM 921 O GLY A 58 -8.862 23.709 -3.327 1.00 0.00 O ATOM 0 H GLY A 58 -6.993 22.763 -5.456 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.288 23.622 -3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.055 25.155 -3.963 1.00 0.00 H new ATOM 925 N THR A 59 -8.527 25.652 -4.410 1.00 0.00 N ATOM 926 CA THR A 59 -9.935 26.019 -4.371 1.00 0.00 C ATOM 927 C THR A 59 -10.767 24.924 -5.025 1.00 0.00 C ATOM 928 O THR A 59 -11.997 24.951 -4.981 1.00 0.00 O ATOM 929 CB THR A 59 -10.158 27.344 -5.102 1.00 0.00 C ATOM 930 OG1 THR A 59 -9.416 28.368 -4.456 1.00 0.00 O ATOM 931 CG2 THR A 59 -11.645 27.699 -5.079 1.00 0.00 C ATOM 0 H THR A 59 -7.920 26.331 -4.870 1.00 0.00 H new ATOM 0 HA THR A 59 -10.241 26.136 -3.331 1.00 0.00 H new ATOM 0 HB THR A 59 -9.826 27.249 -6.136 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.461 28.152 -4.491 1.00 0.00 H new ATOM 0 HG21 THR A 59 -11.802 28.643 -5.600 1.00 0.00 H new ATOM 0 HG22 THR A 59 -12.215 26.912 -5.574 1.00 0.00 H new ATOM 0 HG23 THR A 59 -11.980 27.795 -4.046 1.00 0.00 H new ATOM 939 N PHE A 60 -10.079 23.957 -5.628 1.00 0.00 N ATOM 940 CA PHE A 60 -10.755 22.845 -6.285 1.00 0.00 C ATOM 941 C PHE A 60 -11.467 21.991 -5.245 1.00 0.00 C ATOM 942 O PHE A 60 -12.611 21.580 -5.436 1.00 0.00 O ATOM 943 CB PHE A 60 -9.740 21.992 -7.053 1.00 0.00 C ATOM 944 CG PHE A 60 -10.459 20.879 -7.775 1.00 0.00 C ATOM 945 CD1 PHE A 60 -11.188 21.152 -8.938 1.00 0.00 C ATOM 946 CD2 PHE A 60 -10.396 19.571 -7.280 1.00 0.00 C ATOM 947 CE1 PHE A 60 -11.855 20.118 -9.607 1.00 0.00 C ATOM 948 CE2 PHE A 60 -11.062 18.537 -7.948 1.00 0.00 C ATOM 949 CZ PHE A 60 -11.792 18.811 -9.111 1.00 0.00 C ATOM 0 H PHE A 60 -9.061 23.922 -5.674 1.00 0.00 H new ATOM 0 HA PHE A 60 -11.488 23.240 -6.989 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.196 22.610 -7.767 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -9.004 21.577 -6.365 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -11.236 22.161 -9.320 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.833 19.360 -6.383 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -12.417 20.329 -10.505 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -11.013 17.528 -7.566 1.00 0.00 H new ATOM 0 HZ PHE A 60 -12.307 18.013 -9.626 1.00 0.00 H new ATOM 959 N ARG A 61 -10.780 21.747 -4.135 1.00 0.00 N ATOM 960 CA ARG A 61 -11.351 20.960 -3.050 1.00 0.00 C ATOM 961 C ARG A 61 -12.625 21.627 -2.545 1.00 0.00 C ATOM 962 O ARG A 61 -13.568 20.955 -2.126 1.00 0.00 O ATOM 963 CB ARG A 61 -10.340 20.840 -1.904 1.00 0.00 C ATOM 964 CG ARG A 61 -10.247 19.382 -1.445 1.00 0.00 C ATOM 965 CD ARG A 61 -9.238 19.276 -0.299 1.00 0.00 C ATOM 966 NE ARG A 61 -9.188 17.912 0.216 1.00 0.00 N ATOM 967 CZ ARG A 61 -8.641 16.929 -0.491 1.00 0.00 C ATOM 968 NH1 ARG A 61 -8.157 17.170 -1.678 1.00 0.00 N ATOM 969 NH2 ARG A 61 -8.592 15.721 0.000 1.00 0.00 N ATOM 0 H ARG A 61 -9.832 22.081 -3.964 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.590 19.963 -3.420 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.361 21.191 -2.232 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.643 21.474 -1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.225 19.029 -1.118 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.940 18.746 -2.275 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.250 19.575 -0.648 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.515 19.963 0.501 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.580 17.709 1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.198 18.113 -2.064 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.737 16.415 -2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.974 15.531 0.927 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.172 14.966 -0.543 1.00 0.00 H new ATOM 983 N SER A 62 -12.641 22.956 -2.590 1.00 0.00 N ATOM 984 CA SER A 62 -13.800 23.716 -2.137 1.00 0.00 C ATOM 985 C SER A 62 -15.027 23.377 -2.978 1.00 0.00 C ATOM 986 O SER A 62 -16.150 23.365 -2.477 1.00 0.00 O ATOM 987 CB SER A 62 -13.514 25.216 -2.238 1.00 0.00 C ATOM 988 OG SER A 62 -13.811 25.664 -3.554 1.00 0.00 O ATOM 0 H SER A 62 -11.868 23.526 -2.934 1.00 0.00 H new ATOM 0 HA SER A 62 -13.999 23.451 -1.099 1.00 0.00 H new ATOM 0 HB2 SER A 62 -14.115 25.762 -1.511 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.469 25.415 -2.001 1.00 0.00 H new ATOM 0 HG SER A 62 -13.304 25.133 -4.203 1.00 0.00 H new ATOM 994 N SER A 63 -14.806 23.101 -4.259 1.00 0.00 N ATOM 995 CA SER A 63 -15.907 22.761 -5.155 1.00 0.00 C ATOM 996 C SER A 63 -16.540 21.437 -4.731 1.00 0.00 C ATOM 997 O SER A 63 -17.735 21.217 -4.919 1.00 0.00 O ATOM 998 CB SER A 63 -15.396 22.656 -6.593 1.00 0.00 C ATOM 999 OG SER A 63 -14.708 23.851 -6.935 1.00 0.00 O ATOM 0 H SER A 63 -13.885 23.106 -4.697 1.00 0.00 H new ATOM 0 HA SER A 63 -16.661 23.547 -5.101 1.00 0.00 H new ATOM 0 HB2 SER A 63 -14.731 21.798 -6.693 1.00 0.00 H new ATOM 0 HB3 SER A 63 -16.230 22.494 -7.276 1.00 0.00 H new ATOM 0 HG SER A 63 -14.378 23.786 -7.855 1.00 0.00 H new ATOM 1005 N ILE A 64 -15.721 20.562 -4.164 1.00 0.00 N ATOM 1006 CA ILE A 64 -16.186 19.254 -3.710 1.00 0.00 C ATOM 1007 C ILE A 64 -17.051 19.383 -2.453 1.00 0.00 C ATOM 1008 O ILE A 64 -17.978 18.600 -2.246 1.00 0.00 O ATOM 1009 CB ILE A 64 -14.988 18.345 -3.419 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -14.139 18.175 -4.689 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -15.488 16.979 -2.938 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -14.648 16.991 -5.520 1.00 0.00 C ATOM 0 H ILE A 64 -14.728 20.733 -4.006 1.00 0.00 H new ATOM 0 HA ILE A 64 -16.793 18.816 -4.503 1.00 0.00 H new ATOM 0 HB ILE A 64 -14.372 18.797 -2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -14.177 19.088 -5.284 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -13.096 18.015 -4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -14.636 16.332 -2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -16.076 17.106 -2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -16.108 16.526 -3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -14.036 16.885 -6.415 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -14.586 16.078 -4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -15.684 17.167 -5.808 1.00 0.00 H new ATOM 1024 N ARG A 65 -16.733 20.365 -1.612 1.00 0.00 N ATOM 1025 CA ARG A 65 -17.482 20.573 -0.372 1.00 0.00 C ATOM 1026 C ARG A 65 -18.962 20.803 -0.664 1.00 0.00 C ATOM 1027 O ARG A 65 -19.823 20.435 0.136 1.00 0.00 O ATOM 1028 CB ARG A 65 -16.912 21.778 0.384 1.00 0.00 C ATOM 1029 CG ARG A 65 -15.829 21.323 1.370 1.00 0.00 C ATOM 1030 CD ARG A 65 -16.481 20.965 2.707 1.00 0.00 C ATOM 1031 NE ARG A 65 -16.995 22.170 3.348 1.00 0.00 N ATOM 1032 CZ ARG A 65 -17.714 22.108 4.465 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -17.969 20.953 5.016 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -18.164 23.205 5.010 1.00 0.00 N ATOM 0 H ARG A 65 -15.969 21.024 -1.763 1.00 0.00 H new ATOM 0 HA ARG A 65 -17.385 19.678 0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -16.493 22.494 -0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -17.710 22.290 0.921 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -15.296 20.461 0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -15.094 22.115 1.511 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -17.291 20.254 2.547 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -15.754 20.479 3.357 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.799 23.080 2.931 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -17.617 20.096 4.590 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -18.521 20.907 5.873 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -17.964 24.108 4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -18.716 23.160 5.867 1.00 0.00 H new ATOM 1048 N ARG A 66 -19.259 21.389 -1.819 1.00 0.00 N ATOM 1049 CA ARG A 66 -20.642 21.629 -2.202 1.00 0.00 C ATOM 1050 C ARG A 66 -21.410 20.319 -2.157 1.00 0.00 C ATOM 1051 O ARG A 66 -22.594 20.292 -1.847 1.00 0.00 O ATOM 1052 CB ARG A 66 -20.714 22.230 -3.608 1.00 0.00 C ATOM 1053 CG ARG A 66 -20.705 23.762 -3.522 1.00 0.00 C ATOM 1054 CD ARG A 66 -19.413 24.232 -2.848 1.00 0.00 C ATOM 1055 NE ARG A 66 -19.323 25.687 -2.879 1.00 0.00 N ATOM 1056 CZ ARG A 66 -19.110 26.338 -4.017 1.00 0.00 C ATOM 1057 NH1 ARG A 66 -18.974 25.675 -5.133 1.00 0.00 N ATOM 1058 NH2 ARG A 66 -19.035 27.641 -4.020 1.00 0.00 N ATOM 0 H ARG A 66 -18.567 21.703 -2.499 1.00 0.00 H new ATOM 0 HA ARG A 66 -21.086 22.338 -1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -19.869 21.886 -4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -21.619 21.891 -4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -20.784 24.193 -4.520 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -21.569 24.109 -2.956 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -19.385 23.882 -1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.552 23.797 -3.355 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.425 26.214 -2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -19.031 24.657 -5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.810 26.175 -6.007 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.140 28.160 -3.148 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.871 28.140 -4.894 1.00 0.00 H new ATOM 1072 N LEU A 67 -20.723 19.235 -2.474 1.00 0.00 N ATOM 1073 CA LEU A 67 -21.346 17.920 -2.481 1.00 0.00 C ATOM 1074 C LEU A 67 -22.014 17.633 -1.135 1.00 0.00 C ATOM 1075 O LEU A 67 -22.925 16.808 -1.053 1.00 0.00 O ATOM 1076 CB LEU A 67 -20.270 16.862 -2.752 1.00 0.00 C ATOM 1077 CG LEU A 67 -20.920 15.513 -3.058 1.00 0.00 C ATOM 1078 CD1 LEU A 67 -20.783 15.210 -4.550 1.00 0.00 C ATOM 1079 CD2 LEU A 67 -20.218 14.418 -2.250 1.00 0.00 C ATOM 0 H LEU A 67 -19.736 19.238 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 67 -22.108 17.891 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -19.648 17.173 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -19.614 16.770 -1.886 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.976 15.546 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.246 14.248 -4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -21.278 15.991 -5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -19.727 15.174 -4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -20.679 13.454 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -19.163 14.385 -2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -20.311 14.635 -1.186 1.00 0.00 H new ATOM 1091 N SER A 68 -21.567 18.312 -0.080 1.00 0.00 N ATOM 1092 CA SER A 68 -22.148 18.098 1.245 1.00 0.00 C ATOM 1093 C SER A 68 -23.607 18.562 1.298 1.00 0.00 C ATOM 1094 O SER A 68 -24.476 17.828 1.767 1.00 0.00 O ATOM 1095 CB SER A 68 -21.340 18.856 2.298 1.00 0.00 C ATOM 1096 OG SER A 68 -21.754 18.442 3.593 1.00 0.00 O ATOM 0 H SER A 68 -20.818 19.003 -0.114 1.00 0.00 H new ATOM 0 HA SER A 68 -22.118 17.028 1.452 1.00 0.00 H new ATOM 0 HB2 SER A 68 -20.275 18.663 2.165 1.00 0.00 H new ATOM 0 HB3 SER A 68 -21.487 19.930 2.182 1.00 0.00 H new ATOM 0 HG SER A 68 -21.237 18.925 4.272 1.00 0.00 H new ATOM 1102 N THR A 69 -23.866 19.779 0.816 1.00 0.00 N ATOM 1103 CA THR A 69 -25.226 20.325 0.820 1.00 0.00 C ATOM 1104 C THR A 69 -25.807 20.330 -0.591 1.00 0.00 C ATOM 1105 O THR A 69 -26.985 20.033 -0.787 1.00 0.00 O ATOM 1106 CB THR A 69 -25.214 21.752 1.374 1.00 0.00 C ATOM 1107 OG1 THR A 69 -24.052 22.427 0.913 1.00 0.00 O ATOM 1108 CG2 THR A 69 -25.210 21.707 2.903 1.00 0.00 C ATOM 0 H THR A 69 -23.160 20.401 0.421 1.00 0.00 H new ATOM 0 HA THR A 69 -25.848 19.694 1.454 1.00 0.00 H new ATOM 0 HB THR A 69 -26.102 22.284 1.032 1.00 0.00 H new ATOM 0 HG1 THR A 69 -24.043 23.341 1.265 1.00 0.00 H new ATOM 0 HG21 THR A 69 -25.201 22.723 3.297 1.00 0.00 H new ATOM 0 HG22 THR A 69 -26.103 21.189 3.254 1.00 0.00 H new ATOM 0 HG23 THR A 69 -24.323 21.176 3.249 1.00 0.00 H new ATOM 1116 N ARG A 70 -24.954 20.664 -1.561 1.00 0.00 N ATOM 1117 CA ARG A 70 -25.339 20.712 -2.977 1.00 0.00 C ATOM 1118 C ARG A 70 -26.805 21.092 -3.164 1.00 0.00 C ATOM 1119 O ARG A 70 -27.530 20.441 -3.915 1.00 0.00 O ATOM 1120 CB ARG A 70 -25.078 19.356 -3.638 1.00 0.00 C ATOM 1121 CG ARG A 70 -25.632 18.238 -2.753 1.00 0.00 C ATOM 1122 CD ARG A 70 -25.561 16.906 -3.500 1.00 0.00 C ATOM 1123 NE ARG A 70 -26.202 15.860 -2.713 1.00 0.00 N ATOM 1124 CZ ARG A 70 -25.862 14.584 -2.852 1.00 0.00 C ATOM 1125 NH1 ARG A 70 -24.946 14.240 -3.716 1.00 0.00 N ATOM 1126 NH2 ARG A 70 -26.445 13.671 -2.124 1.00 0.00 N ATOM 0 H ARG A 70 -23.979 20.909 -1.390 1.00 0.00 H new ATOM 0 HA ARG A 70 -24.731 21.483 -3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -25.549 19.323 -4.621 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -24.008 19.215 -3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -25.061 18.177 -1.827 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -26.664 18.457 -2.477 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -26.052 16.996 -4.469 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -24.521 16.642 -3.693 1.00 0.00 H new ATOM 0 HE ARG A 70 -26.927 16.113 -2.042 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -24.490 14.952 -4.286 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -24.687 13.259 -3.821 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -27.161 13.938 -1.449 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -26.184 12.691 -2.230 1.00 0.00 H new ATOM 1140 N ARG A 71 -27.237 22.150 -2.486 1.00 0.00 N ATOM 1141 CA ARG A 71 -28.621 22.599 -2.601 1.00 0.00 C ATOM 1142 C ARG A 71 -28.705 24.122 -2.536 1.00 0.00 C ATOM 1143 O ARG A 71 -28.990 24.779 -3.537 1.00 0.00 O ATOM 1144 CB ARG A 71 -29.465 21.987 -1.479 1.00 0.00 C ATOM 1145 CG ARG A 71 -30.085 20.675 -1.967 1.00 0.00 C ATOM 1146 CD ARG A 71 -30.680 19.917 -0.778 1.00 0.00 C ATOM 1147 NE ARG A 71 -29.618 19.306 0.013 1.00 0.00 N ATOM 1148 CZ ARG A 71 -29.819 18.952 1.278 1.00 0.00 C ATOM 1149 NH1 ARG A 71 -30.983 19.151 1.835 1.00 0.00 N ATOM 1150 NH2 ARG A 71 -28.852 18.406 1.963 1.00 0.00 N ATOM 0 H ARG A 71 -26.657 22.707 -1.858 1.00 0.00 H new ATOM 0 HA ARG A 71 -29.008 22.271 -3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -28.845 21.805 -0.601 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -30.248 22.682 -1.178 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -30.860 20.880 -2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -29.328 20.064 -2.459 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -31.260 20.599 -0.156 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -31.366 19.149 -1.134 1.00 0.00 H new ATOM 0 HE ARG A 71 -28.705 19.148 -0.412 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -31.738 19.578 1.299 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -31.137 18.879 2.806 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -27.943 18.251 1.527 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -29.005 18.134 2.934 1.00 0.00 H new ATOM 1164 N ARG A 72 -28.459 24.677 -1.353 1.00 0.00 N ATOM 1165 CA ARG A 72 -28.515 26.124 -1.174 1.00 0.00 C ATOM 1166 C ARG A 72 -28.010 26.513 0.211 1.00 0.00 C ATOM 1167 O ARG A 72 -28.566 26.028 1.182 1.00 0.00 O ATOM 1168 CB ARG A 72 -29.954 26.614 -1.347 1.00 0.00 C ATOM 1169 CG ARG A 72 -29.978 28.144 -1.368 1.00 0.00 C ATOM 1170 CD ARG A 72 -31.426 28.626 -1.490 1.00 0.00 C ATOM 1171 NE ARG A 72 -31.473 30.083 -1.535 1.00 0.00 N ATOM 1172 CZ ARG A 72 -32.510 30.718 -2.072 1.00 0.00 C ATOM 1173 NH1 ARG A 72 -33.500 30.037 -2.578 1.00 0.00 N ATOM 1174 NH2 ARG A 72 -32.535 32.023 -2.094 1.00 0.00 N ATOM 1175 OXT ARG A 72 -27.073 27.292 0.281 1.00 0.00 O ATOM 0 H ARG A 72 -28.221 24.152 -0.511 1.00 0.00 H new ATOM 0 HA ARG A 72 -27.877 26.589 -1.926 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -30.373 26.221 -2.273 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -30.576 26.242 -0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.527 28.539 -0.458 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -29.387 28.517 -2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -31.879 28.213 -2.391 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -32.010 28.263 -0.644 1.00 0.00 H new ATOM 0 HE ARG A 72 -30.699 30.623 -1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -33.479 29.017 -2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -34.296 30.524 -2.990 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -31.759 32.555 -1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -33.330 32.511 -2.506 1.00 0.00 H new TER 1189 ARG A 72