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 Single : A 1 GLU N :NH3+ -176:sc= -1.22 (180deg=-1.34) USER MOD Single : A 2 SER OG : rot 180:sc= -0.322 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=-0.012) USER MOD Single : A 10 THR OG1 : rot 89:sc= 0.36 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= -3.44! C(o=-4.8!,f=-3.4!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -3.86! C(o=-3.9!,f=-3.4!) USER MOD Single : A 37 SER OG : rot 64:sc= 0.914 USER MOD Single : A 40 CYS SG : rot 180:sc= -1.15 USER MOD Single : A 42 CYS SG : rot 180:sc= 0.00582 USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= -3.57! (180deg=-3.87!) USER MOD Single : A 45 ASN : amide:sc= -6.89! C(o=-6.9!,f=-7!) USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 48 GLN : amide:sc= 0.86 K(o=0.86,f=-1.4!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -49:sc= 0.215 USER MOD Single : A 62 SER OG : rot -32:sc= 0.666 USER MOD Single : A 63 SER OG : rot 129:sc= -4.72! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 0.609 -30.848 -2.149 1.00 0.00 N ATOM 2 CA GLU A 1 0.034 -30.626 -0.793 1.00 0.00 C ATOM 3 C GLU A 1 1.117 -30.843 0.258 1.00 0.00 C ATOM 4 O GLU A 1 0.841 -30.834 1.458 1.00 0.00 O ATOM 5 CB GLU A 1 -1.119 -31.606 -0.564 1.00 0.00 C ATOM 6 CG GLU A 1 -2.234 -31.329 -1.574 1.00 0.00 C ATOM 7 CD GLU A 1 -3.419 -32.251 -1.308 1.00 0.00 C ATOM 8 OE1 GLU A 1 -3.276 -33.145 -0.491 1.00 0.00 O ATOM 9 OE2 GLU A 1 -4.451 -32.050 -1.926 1.00 0.00 O ATOM 0 H1 GLU A 1 -0.110 -30.635 -2.870 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.431 -30.225 -2.284 1.00 0.00 H new ATOM 0 H3 GLU A 1 0.908 -31.840 -2.241 1.00 0.00 H new ATOM 0 HA GLU A 1 -0.342 -29.606 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -0.765 -32.631 -0.670 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -1.501 -31.504 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -2.550 -30.288 -1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -1.864 -31.482 -2.588 1.00 0.00 H new ATOM 18 N SER A 2 2.350 -31.038 -0.200 1.00 0.00 N ATOM 19 CA SER A 2 3.468 -31.258 0.711 1.00 0.00 C ATOM 20 C SER A 2 4.291 -29.981 0.865 1.00 0.00 C ATOM 21 O SER A 2 4.190 -29.066 0.046 1.00 0.00 O ATOM 22 CB SER A 2 4.358 -32.382 0.178 1.00 0.00 C ATOM 23 OG SER A 2 4.354 -33.463 1.100 1.00 0.00 O ATOM 0 H SER A 2 2.599 -31.048 -1.189 1.00 0.00 H new ATOM 0 HA SER A 2 3.072 -31.540 1.686 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.997 -32.717 -0.794 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.375 -32.018 0.032 1.00 0.00 H new ATOM 0 HG SER A 2 4.922 -34.185 0.760 1.00 0.00 H new ATOM 29 N PRO A 3 5.100 -29.902 1.891 1.00 0.00 N ATOM 30 CA PRO A 3 5.958 -28.707 2.148 1.00 0.00 C ATOM 31 C PRO A 3 7.080 -28.574 1.124 1.00 0.00 C ATOM 32 O PRO A 3 7.798 -27.574 1.102 1.00 0.00 O ATOM 33 CB PRO A 3 6.525 -28.957 3.548 1.00 0.00 C ATOM 34 CG PRO A 3 6.472 -30.436 3.740 1.00 0.00 C ATOM 35 CD PRO A 3 5.289 -30.941 2.917 1.00 0.00 C ATOM 0 HA PRO A 3 5.394 -27.777 2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.547 -28.587 3.630 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.938 -28.441 4.307 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.400 -30.903 3.411 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.346 -30.686 4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.500 -31.912 2.468 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.397 -31.062 3.532 1.00 0.00 H new ATOM 43 N LYS A 4 7.226 -29.588 0.278 1.00 0.00 N ATOM 44 CA LYS A 4 8.267 -29.574 -0.744 1.00 0.00 C ATOM 45 C LYS A 4 7.892 -28.626 -1.878 1.00 0.00 C ATOM 46 O LYS A 4 8.713 -28.324 -2.743 1.00 0.00 O ATOM 47 CB LYS A 4 8.470 -30.984 -1.302 1.00 0.00 C ATOM 48 CG LYS A 4 8.649 -31.974 -0.147 1.00 0.00 C ATOM 49 CD LYS A 4 9.894 -31.606 0.664 1.00 0.00 C ATOM 50 CE LYS A 4 10.388 -32.836 1.428 1.00 0.00 C ATOM 51 NZ LYS A 4 11.489 -32.439 2.350 1.00 0.00 N ATOM 0 H LYS A 4 6.642 -30.424 0.279 1.00 0.00 H new ATOM 0 HA LYS A 4 9.194 -29.227 -0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.613 -31.272 -1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.345 -31.006 -1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.768 -31.960 0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.744 -32.988 -0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.677 -31.238 0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.662 -30.801 1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.568 -33.280 1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.740 -33.594 0.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.825 -33.275 2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.274 -32.035 1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.138 -31.730 3.025 1.00 0.00 H new ATOM 65 N GLU A 5 6.648 -28.158 -1.867 1.00 0.00 N ATOM 66 CA GLU A 5 6.180 -27.244 -2.901 1.00 0.00 C ATOM 67 C GLU A 5 6.794 -25.861 -2.708 1.00 0.00 C ATOM 68 O GLU A 5 6.909 -25.374 -1.584 1.00 0.00 O ATOM 69 CB GLU A 5 4.654 -27.139 -2.858 1.00 0.00 C ATOM 70 CG GLU A 5 4.040 -28.506 -3.164 1.00 0.00 C ATOM 71 CD GLU A 5 2.520 -28.397 -3.211 1.00 0.00 C ATOM 72 OE1 GLU A 5 2.010 -27.349 -2.853 1.00 0.00 O ATOM 73 OE2 GLU A 5 1.889 -29.364 -3.604 1.00 0.00 O ATOM 0 H GLU A 5 5.952 -28.394 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 5 6.487 -27.635 -3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.330 -26.795 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.309 -26.403 -3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.416 -28.877 -4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.338 -29.226 -2.402 1.00 0.00 H new ATOM 80 N HIS A 6 7.188 -25.234 -3.812 1.00 0.00 N ATOM 81 CA HIS A 6 7.791 -23.909 -3.751 1.00 0.00 C ATOM 82 C HIS A 6 6.756 -22.831 -4.056 1.00 0.00 C ATOM 83 O HIS A 6 7.075 -21.642 -4.081 1.00 0.00 O ATOM 84 CB HIS A 6 8.942 -23.813 -4.754 1.00 0.00 C ATOM 85 CG HIS A 6 10.057 -24.726 -4.324 1.00 0.00 C ATOM 86 ND1 HIS A 6 10.873 -24.436 -3.242 1.00 0.00 N ATOM 87 CD2 HIS A 6 10.505 -25.926 -4.820 1.00 0.00 C ATOM 88 CE1 HIS A 6 11.761 -25.440 -3.122 1.00 0.00 C ATOM 89 NE2 HIS A 6 11.581 -26.374 -4.059 1.00 0.00 N ATOM 0 H HIS A 6 7.101 -25.619 -4.752 1.00 0.00 H new ATOM 0 HA HIS A 6 8.173 -23.752 -2.742 1.00 0.00 H new ATOM 0 HB2 HIS A 6 8.595 -24.089 -5.750 1.00 0.00 H new ATOM 0 HB3 HIS A 6 9.301 -22.786 -4.815 1.00 0.00 H new ATOM 0 HD2 HIS A 6 10.086 -26.443 -5.671 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.526 -25.485 -2.361 1.00 0.00 H new ATOM 0 HE2 HIS A 6 12.117 -27.232 -4.189 1.00 0.00 H new ATOM 98 N ASP A 7 5.518 -23.253 -4.292 1.00 0.00 N ATOM 99 CA ASP A 7 4.449 -22.309 -4.597 1.00 0.00 C ATOM 100 C ASP A 7 3.716 -21.895 -3.320 1.00 0.00 C ATOM 101 O ASP A 7 3.803 -22.578 -2.298 1.00 0.00 O ATOM 102 CB ASP A 7 3.458 -22.944 -5.574 1.00 0.00 C ATOM 103 CG ASP A 7 3.572 -22.278 -6.940 1.00 0.00 C ATOM 104 OD1 ASP A 7 4.688 -22.082 -7.391 1.00 0.00 O ATOM 105 OD2 ASP A 7 2.540 -21.973 -7.516 1.00 0.00 O ATOM 0 H ASP A 7 5.232 -24.232 -4.278 1.00 0.00 H new ATOM 0 HA ASP A 7 4.891 -21.422 -5.051 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.657 -24.012 -5.663 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.442 -22.840 -5.193 1.00 0.00 H new ATOM 110 N PRO A 8 3.000 -20.798 -3.356 1.00 0.00 N ATOM 111 CA PRO A 8 2.239 -20.293 -2.174 1.00 0.00 C ATOM 112 C PRO A 8 1.017 -21.154 -1.861 1.00 0.00 C ATOM 113 O PRO A 8 0.531 -21.169 -0.729 1.00 0.00 O ATOM 114 CB PRO A 8 1.815 -18.884 -2.591 1.00 0.00 C ATOM 115 CG PRO A 8 1.766 -18.917 -4.082 1.00 0.00 C ATOM 116 CD PRO A 8 2.832 -19.917 -4.526 1.00 0.00 C ATOM 0 HA PRO A 8 2.840 -20.314 -1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.844 -18.624 -2.170 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.526 -18.137 -2.237 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.779 -19.220 -4.432 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.962 -17.929 -4.499 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.513 -20.477 -5.405 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.765 -19.417 -4.787 1.00 0.00 H new ATOM 124 N PHE A 9 0.524 -21.865 -2.869 1.00 0.00 N ATOM 125 CA PHE A 9 -0.644 -22.720 -2.688 1.00 0.00 C ATOM 126 C PHE A 9 -0.488 -23.586 -1.442 1.00 0.00 C ATOM 127 O PHE A 9 -1.473 -24.070 -0.883 1.00 0.00 O ATOM 128 CB PHE A 9 -0.836 -23.614 -3.915 1.00 0.00 C ATOM 129 CG PHE A 9 -1.482 -22.818 -5.023 1.00 0.00 C ATOM 130 CD1 PHE A 9 -2.844 -22.496 -4.952 1.00 0.00 C ATOM 131 CD2 PHE A 9 -0.721 -22.400 -6.122 1.00 0.00 C ATOM 132 CE1 PHE A 9 -3.443 -21.757 -5.980 1.00 0.00 C ATOM 133 CE2 PHE A 9 -1.320 -21.661 -7.149 1.00 0.00 C ATOM 134 CZ PHE A 9 -2.681 -21.339 -7.078 1.00 0.00 C ATOM 0 H PHE A 9 0.911 -21.867 -3.813 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.520 -22.083 -2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.126 -24.005 -4.247 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.458 -24.472 -3.659 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.432 -22.818 -4.105 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.329 -22.648 -6.177 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.493 -21.509 -5.926 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.732 -21.339 -7.996 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.143 -20.768 -7.870 1.00 0.00 H new ATOM 144 N THR A 10 0.755 -23.777 -1.011 1.00 0.00 N ATOM 145 CA THR A 10 1.027 -24.586 0.171 1.00 0.00 C ATOM 146 C THR A 10 0.275 -24.041 1.381 1.00 0.00 C ATOM 147 O THR A 10 -0.119 -24.797 2.268 1.00 0.00 O ATOM 148 CB THR A 10 2.530 -24.592 0.462 1.00 0.00 C ATOM 149 OG1 THR A 10 3.234 -24.999 -0.702 1.00 0.00 O ATOM 150 CG2 THR A 10 2.826 -25.562 1.607 1.00 0.00 C ATOM 0 H THR A 10 1.584 -23.386 -1.459 1.00 0.00 H new ATOM 0 HA THR A 10 0.688 -25.604 -0.022 1.00 0.00 H new ATOM 0 HB THR A 10 2.850 -23.590 0.748 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.436 -24.214 -1.254 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.896 -25.566 1.813 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.285 -25.247 2.500 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.508 -26.566 1.325 1.00 0.00 H new ATOM 158 N TYR A 11 0.083 -22.724 1.407 1.00 0.00 N ATOM 159 CA TYR A 11 -0.621 -22.080 2.512 1.00 0.00 C ATOM 160 C TYR A 11 -2.019 -21.645 2.082 1.00 0.00 C ATOM 161 O TYR A 11 -2.211 -21.136 0.977 1.00 0.00 O ATOM 162 CB TYR A 11 0.166 -20.859 2.992 1.00 0.00 C ATOM 163 CG TYR A 11 1.496 -21.302 3.552 1.00 0.00 C ATOM 164 CD1 TYR A 11 1.570 -21.822 4.849 1.00 0.00 C ATOM 165 CD2 TYR A 11 2.656 -21.189 2.776 1.00 0.00 C ATOM 166 CE1 TYR A 11 2.803 -22.230 5.372 1.00 0.00 C ATOM 167 CE2 TYR A 11 3.890 -21.598 3.298 1.00 0.00 C ATOM 168 CZ TYR A 11 3.963 -22.118 4.596 1.00 0.00 C ATOM 169 OH TYR A 11 5.179 -22.521 5.111 1.00 0.00 O ATOM 0 H TYR A 11 0.403 -22.085 0.679 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.711 -22.800 3.325 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.321 -20.166 2.165 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.401 -20.325 3.754 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.675 -21.909 5.447 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.599 -20.787 1.775 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.859 -22.631 6.373 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.785 -21.512 2.699 1.00 0.00 H new ATOM 0 HH TYR A 11 5.881 -22.377 4.443 1.00 0.00 H new ATOM 179 N ASP A 12 -2.992 -21.846 2.965 1.00 0.00 N ATOM 180 CA ASP A 12 -4.371 -21.469 2.673 1.00 0.00 C ATOM 181 C ASP A 12 -4.515 -19.949 2.626 1.00 0.00 C ATOM 182 O ASP A 12 -5.461 -19.421 2.043 1.00 0.00 O ATOM 183 CB ASP A 12 -5.302 -22.039 3.746 1.00 0.00 C ATOM 184 CG ASP A 12 -5.278 -23.563 3.700 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.809 -24.101 2.711 1.00 0.00 O ATOM 186 OD2 ASP A 12 -5.730 -24.172 4.657 1.00 0.00 O ATOM 0 H ASP A 12 -2.853 -22.266 3.884 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.642 -21.877 1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.991 -21.692 4.731 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.318 -21.678 3.587 1.00 0.00 H new ATOM 191 N TYR A 13 -3.569 -19.253 3.249 1.00 0.00 N ATOM 192 CA TYR A 13 -3.592 -17.794 3.280 1.00 0.00 C ATOM 193 C TYR A 13 -3.205 -17.217 1.921 1.00 0.00 C ATOM 194 O TYR A 13 -2.596 -16.152 1.844 1.00 0.00 O ATOM 195 CB TYR A 13 -2.616 -17.285 4.343 1.00 0.00 C ATOM 196 CG TYR A 13 -2.947 -17.911 5.676 1.00 0.00 C ATOM 197 CD1 TYR A 13 -4.091 -17.506 6.374 1.00 0.00 C ATOM 198 CD2 TYR A 13 -2.108 -18.895 6.215 1.00 0.00 C ATOM 199 CE1 TYR A 13 -4.396 -18.084 7.611 1.00 0.00 C ATOM 200 CE2 TYR A 13 -2.414 -19.472 7.452 1.00 0.00 C ATOM 201 CZ TYR A 13 -3.558 -19.068 8.151 1.00 0.00 C ATOM 202 OH TYR A 13 -3.857 -19.635 9.371 1.00 0.00 O ATOM 0 H TYR A 13 -2.779 -19.674 3.738 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.605 -17.471 3.522 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.593 -17.530 4.059 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.675 -16.199 4.415 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.738 -16.748 5.958 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.226 -19.208 5.676 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.278 -17.771 8.150 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.767 -20.230 7.868 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.174 -20.300 9.599 1.00 0.00 H new ATOM 212 N GLN A 14 -3.556 -17.926 0.856 1.00 0.00 N ATOM 213 CA GLN A 14 -3.227 -17.474 -0.493 1.00 0.00 C ATOM 214 C GLN A 14 -3.675 -16.030 -0.712 1.00 0.00 C ATOM 215 O GLN A 14 -2.888 -15.186 -1.142 1.00 0.00 O ATOM 216 CB GLN A 14 -3.913 -18.380 -1.522 1.00 0.00 C ATOM 217 CG GLN A 14 -3.387 -18.073 -2.927 1.00 0.00 C ATOM 218 CD GLN A 14 -1.930 -18.504 -3.049 1.00 0.00 C ATOM 219 OE1 GLN A 14 -1.040 -17.647 -3.471 1.00 0.00 O flip ATOM 220 NE2 GLN A 14 -1.593 -19.650 -2.752 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.064 -18.809 0.897 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.145 -17.524 -0.615 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.729 -19.426 -1.277 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.992 -18.230 -1.488 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.991 -18.592 -3.671 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.477 -17.006 -3.132 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.290 -20.317 -2.423 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.616 -19.932 -2.835 1.00 0.00 H new ATOM 229 N SER A 15 -4.940 -15.753 -0.420 1.00 0.00 N ATOM 230 CA SER A 15 -5.476 -14.407 -0.600 1.00 0.00 C ATOM 231 C SER A 15 -5.167 -13.518 0.604 1.00 0.00 C ATOM 232 O SER A 15 -5.021 -12.303 0.466 1.00 0.00 O ATOM 233 CB SER A 15 -6.990 -14.476 -0.802 1.00 0.00 C ATOM 234 OG SER A 15 -7.608 -14.882 0.412 1.00 0.00 O ATOM 0 H SER A 15 -5.609 -16.434 -0.061 1.00 0.00 H new ATOM 0 HA SER A 15 -5.001 -13.972 -1.479 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.372 -13.503 -1.110 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.230 -15.180 -1.599 1.00 0.00 H new ATOM 0 HG SER A 15 -8.579 -14.926 0.286 1.00 0.00 H new ATOM 240 N LEU A 16 -5.084 -14.123 1.780 1.00 0.00 N ATOM 241 CA LEU A 16 -4.809 -13.368 3.000 1.00 0.00 C ATOM 242 C LEU A 16 -3.314 -13.104 3.168 1.00 0.00 C ATOM 243 O LEU A 16 -2.900 -12.432 4.113 1.00 0.00 O ATOM 244 CB LEU A 16 -5.338 -14.133 4.218 1.00 0.00 C ATOM 245 CG LEU A 16 -5.627 -13.150 5.355 1.00 0.00 C ATOM 246 CD1 LEU A 16 -7.058 -12.626 5.225 1.00 0.00 C ATOM 247 CD2 LEU A 16 -5.469 -13.866 6.697 1.00 0.00 C ATOM 0 H LEU A 16 -5.202 -15.127 1.918 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.317 -12.407 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.245 -14.676 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.606 -14.874 4.541 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.928 -12.316 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.264 -11.926 6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.174 -12.118 4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.757 -13.460 5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.674 -13.168 7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.170 -14.699 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.450 -14.242 6.791 1.00 0.00 H new ATOM 259 N GLN A 17 -2.505 -13.636 2.259 1.00 0.00 N ATOM 260 CA GLN A 17 -1.060 -13.445 2.343 1.00 0.00 C ATOM 261 C GLN A 17 -0.656 -12.049 1.860 1.00 0.00 C ATOM 262 O GLN A 17 0.157 -11.377 2.498 1.00 0.00 O ATOM 263 CB GLN A 17 -0.338 -14.514 1.513 1.00 0.00 C ATOM 264 CG GLN A 17 1.117 -14.101 1.280 1.00 0.00 C ATOM 265 CD GLN A 17 1.716 -13.539 2.564 1.00 0.00 C ATOM 266 OE1 GLN A 17 1.598 -14.151 3.625 1.00 0.00 O ATOM 267 NE2 GLN A 17 2.354 -12.402 2.532 1.00 0.00 N ATOM 0 H GLN A 17 -2.818 -14.195 1.466 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.768 -13.541 3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.374 -15.473 2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.844 -14.647 0.557 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.698 -14.961 0.945 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.168 -13.353 0.488 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.451 -11.896 1.652 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.756 -12.019 3.387 1.00 0.00 H new ATOM 276 N ILE A 18 -1.216 -11.621 0.731 1.00 0.00 N ATOM 277 CA ILE A 18 -0.890 -10.306 0.178 1.00 0.00 C ATOM 278 C ILE A 18 -1.977 -9.283 0.512 1.00 0.00 C ATOM 279 O ILE A 18 -1.842 -8.100 0.202 1.00 0.00 O ATOM 280 CB ILE A 18 -0.738 -10.392 -1.347 1.00 0.00 C ATOM 281 CG1 ILE A 18 0.442 -11.309 -1.735 1.00 0.00 C ATOM 282 CG2 ILE A 18 -0.525 -8.991 -1.928 1.00 0.00 C ATOM 283 CD1 ILE A 18 1.774 -10.827 -1.127 1.00 0.00 C ATOM 0 H ILE A 18 -1.890 -12.157 0.185 1.00 0.00 H new ATOM 0 HA ILE A 18 0.050 -9.984 0.626 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.652 -10.820 -1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.237 -12.325 -1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.531 -11.345 -2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.418 -9.059 -3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.382 -8.363 -1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.377 -8.553 -1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.576 -11.502 -1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.994 -9.821 -1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.695 -10.817 -0.040 1.00 0.00 H new ATOM 295 N GLY A 19 -3.057 -9.745 1.134 1.00 0.00 N ATOM 296 CA GLY A 19 -4.164 -8.858 1.490 1.00 0.00 C ATOM 297 C GLY A 19 -3.681 -7.608 2.225 1.00 0.00 C ATOM 298 O GLY A 19 -3.233 -6.642 1.602 1.00 0.00 O ATOM 0 H GLY A 19 -3.191 -10.720 1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.698 -8.564 0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.873 -9.397 2.118 1.00 0.00 H new ATOM 302 N GLY A 20 -3.801 -7.632 3.550 1.00 0.00 N ATOM 303 CA GLY A 20 -3.398 -6.500 4.382 1.00 0.00 C ATOM 304 C GLY A 20 -2.154 -5.807 3.838 1.00 0.00 C ATOM 305 O GLY A 20 -1.969 -4.607 4.038 1.00 0.00 O ATOM 0 H GLY A 20 -4.175 -8.425 4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.217 -5.783 4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.205 -6.847 5.397 1.00 0.00 H new ATOM 309 N LEU A 21 -1.300 -6.562 3.159 1.00 0.00 N ATOM 310 CA LEU A 21 -0.076 -5.994 2.604 1.00 0.00 C ATOM 311 C LEU A 21 -0.391 -4.915 1.570 1.00 0.00 C ATOM 312 O LEU A 21 0.130 -3.801 1.643 1.00 0.00 O ATOM 313 CB LEU A 21 0.750 -7.101 1.949 1.00 0.00 C ATOM 314 CG LEU A 21 1.952 -7.436 2.834 1.00 0.00 C ATOM 315 CD1 LEU A 21 1.465 -7.884 4.212 1.00 0.00 C ATOM 316 CD2 LEU A 21 2.758 -8.567 2.191 1.00 0.00 C ATOM 0 H LEU A 21 -1.429 -7.558 2.980 1.00 0.00 H new ATOM 0 HA LEU A 21 0.490 -5.538 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.135 -7.989 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.089 -6.781 0.964 1.00 0.00 H new ATOM 0 HG LEU A 21 2.580 -6.552 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.323 -8.122 4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.889 -7.082 4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.836 -8.768 4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.615 -8.807 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.127 -9.449 2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.107 -8.252 1.208 1.00 0.00 H new ATOM 328 N VAL A 22 -1.244 -5.248 0.607 1.00 0.00 N ATOM 329 CA VAL A 22 -1.610 -4.294 -0.434 1.00 0.00 C ATOM 330 C VAL A 22 -2.461 -3.162 0.134 1.00 0.00 C ATOM 331 O VAL A 22 -2.185 -1.986 -0.105 1.00 0.00 O ATOM 332 CB VAL A 22 -2.388 -5.005 -1.542 1.00 0.00 C ATOM 333 CG1 VAL A 22 -3.183 -3.980 -2.351 1.00 0.00 C ATOM 334 CG2 VAL A 22 -1.409 -5.728 -2.468 1.00 0.00 C ATOM 0 H VAL A 22 -1.691 -6.161 0.525 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.692 -3.870 -0.841 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.073 -5.726 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.736 -4.489 -3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.882 -3.461 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.499 -3.258 -2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.963 -6.235 -3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.725 -5.004 -2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.840 -6.461 -1.896 1.00 0.00 H new ATOM 344 N ILE A 23 -3.498 -3.521 0.883 1.00 0.00 N ATOM 345 CA ILE A 23 -4.383 -2.518 1.470 1.00 0.00 C ATOM 346 C ILE A 23 -3.604 -1.563 2.370 1.00 0.00 C ATOM 347 O ILE A 23 -3.776 -0.345 2.297 1.00 0.00 O ATOM 348 CB ILE A 23 -5.475 -3.210 2.291 1.00 0.00 C ATOM 349 CG1 ILE A 23 -6.276 -4.147 1.383 1.00 0.00 C ATOM 350 CG2 ILE A 23 -6.410 -2.160 2.898 1.00 0.00 C ATOM 351 CD1 ILE A 23 -7.156 -5.064 2.238 1.00 0.00 C ATOM 0 H ILE A 23 -3.746 -4.487 1.097 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.834 -1.945 0.660 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.014 -3.786 3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.895 -3.566 0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.599 -4.743 0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.185 -2.657 3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.839 -1.495 3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.872 -1.580 2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.725 -5.730 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.527 -5.655 2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.843 -4.460 2.831 1.00 0.00 H new ATOM 363 N ALA A 24 -2.751 -2.124 3.220 1.00 0.00 N ATOM 364 CA ALA A 24 -1.955 -1.317 4.139 1.00 0.00 C ATOM 365 C ALA A 24 -1.120 -0.289 3.381 1.00 0.00 C ATOM 366 O ALA A 24 -1.062 0.881 3.763 1.00 0.00 O ATOM 367 CB ALA A 24 -1.029 -2.224 4.955 1.00 0.00 C ATOM 0 H ALA A 24 -2.593 -3.129 3.292 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.636 -0.788 4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.436 -1.617 5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.626 -2.936 5.525 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.364 -2.765 4.282 1.00 0.00 H new ATOM 373 N GLY A 25 -0.475 -0.733 2.311 1.00 0.00 N ATOM 374 CA GLY A 25 0.356 0.156 1.509 1.00 0.00 C ATOM 375 C GLY A 25 -0.463 1.293 0.904 1.00 0.00 C ATOM 376 O GLY A 25 0.028 2.410 0.759 1.00 0.00 O ATOM 0 H GLY A 25 -0.510 -1.697 1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.152 0.569 2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.835 -0.413 0.712 1.00 0.00 H new ATOM 380 N ILE A 26 -1.706 1.000 0.532 1.00 0.00 N ATOM 381 CA ILE A 26 -2.565 2.010 -0.078 1.00 0.00 C ATOM 382 C ILE A 26 -2.875 3.156 0.887 1.00 0.00 C ATOM 383 O ILE A 26 -2.823 4.324 0.503 1.00 0.00 O ATOM 384 CB ILE A 26 -3.872 1.368 -0.543 1.00 0.00 C ATOM 385 CG1 ILE A 26 -3.589 0.457 -1.740 1.00 0.00 C ATOM 386 CG2 ILE A 26 -4.860 2.460 -0.956 1.00 0.00 C ATOM 387 CD1 ILE A 26 -4.816 -0.412 -2.023 1.00 0.00 C ATOM 0 H ILE A 26 -2.137 0.082 0.641 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.028 2.426 -0.931 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.300 0.782 0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.345 1.057 -2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.724 -0.173 -1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.792 2.001 -1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.059 3.111 -0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.435 3.047 -1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.614 -1.060 -2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.039 -1.022 -1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.670 0.227 -2.248 1.00 0.00 H new ATOM 399 N LEU A 27 -3.201 2.826 2.135 1.00 0.00 N ATOM 400 CA LEU A 27 -3.521 3.859 3.122 1.00 0.00 C ATOM 401 C LEU A 27 -2.309 4.750 3.388 1.00 0.00 C ATOM 402 O LEU A 27 -2.417 5.975 3.391 1.00 0.00 O ATOM 403 CB LEU A 27 -3.977 3.209 4.432 1.00 0.00 C ATOM 404 CG LEU A 27 -5.106 2.209 4.151 1.00 0.00 C ATOM 405 CD1 LEU A 27 -5.565 1.564 5.462 1.00 0.00 C ATOM 406 CD2 LEU A 27 -6.288 2.933 3.504 1.00 0.00 C ATOM 0 H LEU A 27 -3.251 1.869 2.484 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.326 4.475 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.138 2.700 4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.321 3.974 5.128 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.737 1.437 3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.367 0.855 5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.727 1.041 5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.928 2.336 6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.088 2.219 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.652 3.709 4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.967 3.388 2.567 1.00 0.00 H new ATOM 418 N PHE A 28 -1.162 4.122 3.609 1.00 0.00 N ATOM 419 CA PHE A 28 0.079 4.840 3.874 1.00 0.00 C ATOM 420 C PHE A 28 0.528 5.622 2.641 1.00 0.00 C ATOM 421 O PHE A 28 1.010 6.749 2.751 1.00 0.00 O ATOM 422 CB PHE A 28 1.163 3.835 4.267 1.00 0.00 C ATOM 423 CG PHE A 28 2.413 4.568 4.678 1.00 0.00 C ATOM 424 CD1 PHE A 28 3.374 4.901 3.717 1.00 0.00 C ATOM 425 CD2 PHE A 28 2.618 4.907 6.021 1.00 0.00 C ATOM 426 CE1 PHE A 28 4.538 5.576 4.097 1.00 0.00 C ATOM 427 CE2 PHE A 28 3.783 5.584 6.402 1.00 0.00 C ATOM 428 CZ PHE A 28 4.744 5.917 5.440 1.00 0.00 C ATOM 0 H PHE A 28 -1.065 3.107 3.610 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.089 5.547 4.686 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.811 3.209 5.087 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.378 3.172 3.429 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.217 4.637 2.682 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.878 4.646 6.763 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.279 5.835 3.355 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.940 5.849 7.437 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.644 6.437 5.733 1.00 0.00 H new ATOM 438 N ILE A 29 0.357 5.018 1.468 1.00 0.00 N ATOM 439 CA ILE A 29 0.736 5.668 0.218 1.00 0.00 C ATOM 440 C ILE A 29 -0.122 6.903 0.030 1.00 0.00 C ATOM 441 O ILE A 29 0.369 7.974 -0.324 1.00 0.00 O ATOM 442 CB ILE A 29 0.554 4.717 -0.966 1.00 0.00 C ATOM 443 CG1 ILE A 29 1.770 3.792 -1.063 1.00 0.00 C ATOM 444 CG2 ILE A 29 0.426 5.530 -2.256 1.00 0.00 C ATOM 445 CD1 ILE A 29 1.463 2.636 -2.018 1.00 0.00 C ATOM 0 H ILE A 29 -0.039 4.085 1.357 1.00 0.00 H new ATOM 0 HA ILE A 29 1.788 5.949 0.264 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.347 4.121 -0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.636 4.350 -1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.024 3.404 -0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.296 4.854 -3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.437 6.192 -2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.328 6.125 -2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.330 1.979 -2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.609 2.072 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.231 3.032 -3.006 1.00 0.00 H new ATOM 457 N LEU A 30 -1.397 6.758 0.352 1.00 0.00 N ATOM 458 CA LEU A 30 -2.308 7.866 0.309 1.00 0.00 C ATOM 459 C LEU A 30 -1.811 8.814 1.356 1.00 0.00 C ATOM 460 O LEU A 30 -1.906 10.027 1.235 1.00 0.00 O ATOM 461 CB LEU A 30 -3.741 7.419 0.619 1.00 0.00 C ATOM 462 CG LEU A 30 -4.562 7.369 -0.674 1.00 0.00 C ATOM 463 CD1 LEU A 30 -5.809 6.511 -0.458 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.986 8.787 -1.066 1.00 0.00 C ATOM 0 H LEU A 30 -1.816 5.876 0.646 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.342 8.323 -0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.731 6.437 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.202 8.109 1.326 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.955 6.935 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.391 6.477 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.511 5.500 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.415 6.943 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.570 8.751 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.591 9.219 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.100 9.402 -1.223 1.00 0.00 H new ATOM 476 N GLY A 31 -1.278 8.201 2.405 1.00 0.00 N ATOM 477 CA GLY A 31 -0.740 8.955 3.535 1.00 0.00 C ATOM 478 C GLY A 31 0.347 9.939 3.093 1.00 0.00 C ATOM 479 O GLY A 31 0.290 11.124 3.419 1.00 0.00 O ATOM 0 H GLY A 31 -1.206 7.188 2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.546 9.500 4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.328 8.264 4.271 1.00 0.00 H new ATOM 483 N ILE A 32 1.345 9.443 2.360 1.00 0.00 N ATOM 484 CA ILE A 32 2.439 10.301 1.903 1.00 0.00 C ATOM 485 C ILE A 32 1.945 11.348 0.907 1.00 0.00 C ATOM 486 O ILE A 32 2.306 12.520 1.003 1.00 0.00 O ATOM 487 CB ILE A 32 3.537 9.456 1.240 1.00 0.00 C ATOM 488 CG1 ILE A 32 3.968 8.308 2.170 1.00 0.00 C ATOM 489 CG2 ILE A 32 4.747 10.338 0.922 1.00 0.00 C ATOM 490 CD1 ILE A 32 4.342 8.841 3.561 1.00 0.00 C ATOM 0 H ILE A 32 1.419 8.467 2.074 1.00 0.00 H new ATOM 0 HA ILE A 32 2.843 10.812 2.777 1.00 0.00 H new ATOM 0 HB ILE A 32 3.141 9.032 0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.159 7.583 2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.819 7.783 1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.524 9.735 0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.447 11.136 0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.133 10.772 1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.643 8.011 4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.168 9.547 3.470 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.481 9.344 4.001 1.00 0.00 H new ATOM 502 N LEU A 33 1.121 10.928 -0.047 1.00 0.00 N ATOM 503 CA LEU A 33 0.596 11.859 -1.041 1.00 0.00 C ATOM 504 C LEU A 33 -0.271 12.910 -0.366 1.00 0.00 C ATOM 505 O LEU A 33 -0.174 14.099 -0.664 1.00 0.00 O ATOM 506 CB LEU A 33 -0.232 11.104 -2.085 1.00 0.00 C ATOM 507 CG LEU A 33 0.643 10.066 -2.797 1.00 0.00 C ATOM 508 CD1 LEU A 33 -0.217 9.260 -3.773 1.00 0.00 C ATOM 509 CD2 LEU A 33 1.768 10.764 -3.573 1.00 0.00 C ATOM 0 H LEU A 33 0.805 9.964 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 33 1.434 12.350 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.077 10.611 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.643 11.805 -2.811 1.00 0.00 H new ATOM 0 HG LEU A 33 1.081 9.402 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.404 8.521 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.011 8.752 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.657 9.932 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.383 10.016 -4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.336 11.435 -4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.386 11.337 -2.882 1.00 0.00 H new ATOM 521 N ILE A 34 -1.118 12.455 0.546 1.00 0.00 N ATOM 522 CA ILE A 34 -2.014 13.354 1.274 1.00 0.00 C ATOM 523 C ILE A 34 -1.230 14.390 2.079 1.00 0.00 C ATOM 524 O ILE A 34 -1.540 15.580 2.041 1.00 0.00 O ATOM 525 CB ILE A 34 -2.903 12.556 2.230 1.00 0.00 C ATOM 526 CG1 ILE A 34 -4.033 11.888 1.442 1.00 0.00 C ATOM 527 CG2 ILE A 34 -3.502 13.497 3.278 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.655 10.774 2.287 1.00 0.00 C ATOM 0 H ILE A 34 -1.207 11.472 0.802 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.628 13.871 0.536 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.305 11.792 2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.791 12.625 1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.647 11.479 0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.135 12.928 3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.699 13.972 3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.099 14.262 2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.460 10.298 1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.894 10.033 2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.056 11.197 3.208 1.00 0.00 H new ATOM 540 N VAL A 35 -0.225 13.929 2.820 1.00 0.00 N ATOM 541 CA VAL A 35 0.578 14.831 3.643 1.00 0.00 C ATOM 542 C VAL A 35 1.201 15.939 2.799 1.00 0.00 C ATOM 543 O VAL A 35 1.057 17.122 3.110 1.00 0.00 O ATOM 544 CB VAL A 35 1.689 14.047 4.341 1.00 0.00 C ATOM 545 CG1 VAL A 35 2.711 15.023 4.928 1.00 0.00 C ATOM 546 CG2 VAL A 35 1.089 13.202 5.466 1.00 0.00 C ATOM 0 H VAL A 35 0.051 12.948 2.868 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.080 15.285 4.384 1.00 0.00 H new ATOM 0 HB VAL A 35 2.181 13.395 3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.503 14.464 5.426 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.140 15.626 4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.219 15.675 5.649 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.882 12.643 5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.597 13.854 6.188 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.361 12.506 5.050 1.00 0.00 H new ATOM 556 N LEU A 36 1.891 15.549 1.735 1.00 0.00 N ATOM 557 CA LEU A 36 2.532 16.522 0.857 1.00 0.00 C ATOM 558 C LEU A 36 1.487 17.370 0.135 1.00 0.00 C ATOM 559 O LEU A 36 1.710 18.550 -0.134 1.00 0.00 O ATOM 560 CB LEU A 36 3.409 15.797 -0.170 1.00 0.00 C ATOM 561 CG LEU A 36 4.443 14.924 0.551 1.00 0.00 C ATOM 562 CD1 LEU A 36 5.276 14.162 -0.481 1.00 0.00 C ATOM 563 CD2 LEU A 36 5.374 15.801 1.398 1.00 0.00 C ATOM 0 H LEU A 36 2.021 14.575 1.460 1.00 0.00 H new ATOM 0 HA LEU A 36 3.152 17.180 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.789 15.180 -0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.914 16.523 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 36 3.921 14.221 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.011 13.541 0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.622 13.529 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.789 14.872 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.105 15.171 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.892 16.510 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.787 16.345 2.138 1.00 0.00 H new ATOM 575 N SER A 37 0.351 16.758 -0.179 1.00 0.00 N ATOM 576 CA SER A 37 -0.723 17.459 -0.877 1.00 0.00 C ATOM 577 C SER A 37 -1.245 18.634 -0.054 1.00 0.00 C ATOM 578 O SER A 37 -1.604 19.674 -0.604 1.00 0.00 O ATOM 579 CB SER A 37 -1.871 16.493 -1.163 1.00 0.00 C ATOM 580 OG SER A 37 -1.436 15.506 -2.088 1.00 0.00 O ATOM 0 H SER A 37 0.149 15.782 0.037 1.00 0.00 H new ATOM 0 HA SER A 37 -0.319 17.846 -1.813 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.202 16.020 -0.238 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.725 17.035 -1.568 1.00 0.00 H new ATOM 0 HG SER A 37 -0.717 14.975 -1.686 1.00 0.00 H new ATOM 586 N ARG A 38 -1.299 18.459 1.261 1.00 0.00 N ATOM 587 CA ARG A 38 -1.794 19.513 2.140 1.00 0.00 C ATOM 588 C ARG A 38 -0.983 20.792 1.963 1.00 0.00 C ATOM 589 O ARG A 38 -1.526 21.896 2.010 1.00 0.00 O ATOM 590 CB ARG A 38 -1.715 19.057 3.599 1.00 0.00 C ATOM 591 CG ARG A 38 -2.610 17.832 3.807 1.00 0.00 C ATOM 592 CD ARG A 38 -3.589 18.105 4.949 1.00 0.00 C ATOM 593 NE ARG A 38 -4.351 16.902 5.265 1.00 0.00 N ATOM 594 CZ ARG A 38 -5.290 16.912 6.205 1.00 0.00 C ATOM 595 NH1 ARG A 38 -5.543 18.009 6.865 1.00 0.00 N ATOM 596 NH2 ARG A 38 -5.960 15.822 6.470 1.00 0.00 N ATOM 0 H ARG A 38 -1.009 17.606 1.739 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.832 19.717 1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.685 18.815 3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.029 19.865 4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.156 17.608 2.891 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.001 16.958 4.037 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.044 18.440 5.831 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.268 18.910 4.669 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.160 16.039 4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.020 18.860 6.659 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.264 18.015 7.586 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.762 14.964 5.955 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.681 15.829 7.192 1.00 0.00 H new ATOM 610 N ARG A 39 0.319 20.636 1.758 1.00 0.00 N ATOM 611 CA ARG A 39 1.195 21.787 1.576 1.00 0.00 C ATOM 612 C ARG A 39 0.755 22.611 0.369 1.00 0.00 C ATOM 613 O ARG A 39 0.989 23.818 0.311 1.00 0.00 O ATOM 614 CB ARG A 39 2.637 21.319 1.382 1.00 0.00 C ATOM 615 CG ARG A 39 3.592 22.484 1.652 1.00 0.00 C ATOM 616 CD ARG A 39 5.032 22.025 1.434 1.00 0.00 C ATOM 617 NE ARG A 39 5.964 23.035 1.923 1.00 0.00 N ATOM 618 CZ ARG A 39 7.276 22.835 1.886 1.00 0.00 C ATOM 619 NH1 ARG A 39 7.752 21.720 1.404 1.00 0.00 N ATOM 620 NH2 ARG A 39 8.090 23.755 2.329 1.00 0.00 N ATOM 0 H ARG A 39 0.789 19.732 1.714 1.00 0.00 H new ATOM 0 HA ARG A 39 1.134 22.412 2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.856 20.491 2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.777 20.948 0.367 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.361 23.318 0.990 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.464 22.843 2.673 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.203 21.081 1.952 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.206 21.842 0.374 1.00 0.00 H new ATOM 0 HE ARG A 39 5.601 23.911 2.300 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.116 21.002 1.056 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.760 21.566 1.375 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.718 24.628 2.704 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.098 23.601 2.300 1.00 0.00 H new ATOM 634 N CYS A 40 0.121 21.949 -0.595 1.00 0.00 N ATOM 635 CA CYS A 40 -0.343 22.627 -1.800 1.00 0.00 C ATOM 636 C CYS A 40 -1.344 23.728 -1.457 1.00 0.00 C ATOM 637 O CYS A 40 -1.265 24.836 -1.987 1.00 0.00 O ATOM 638 CB CYS A 40 -0.997 21.619 -2.746 1.00 0.00 C ATOM 639 SG CYS A 40 0.122 20.219 -3.003 1.00 0.00 S ATOM 0 H CYS A 40 -0.082 20.950 -0.565 1.00 0.00 H new ATOM 0 HA CYS A 40 0.520 23.081 -2.287 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.942 21.271 -2.328 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.227 22.095 -3.699 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.434 19.361 -3.805 1.00 0.00 H new ATOM 645 N ARG A 41 -2.284 23.417 -0.570 1.00 0.00 N ATOM 646 CA ARG A 41 -3.295 24.393 -0.172 1.00 0.00 C ATOM 647 C ARG A 41 -2.636 25.651 0.381 1.00 0.00 C ATOM 648 O ARG A 41 -3.068 26.768 0.092 1.00 0.00 O ATOM 649 CB ARG A 41 -4.219 23.793 0.892 1.00 0.00 C ATOM 650 CG ARG A 41 -5.361 24.770 1.187 1.00 0.00 C ATOM 651 CD ARG A 41 -6.317 24.149 2.207 1.00 0.00 C ATOM 652 NE ARG A 41 -7.416 25.065 2.491 1.00 0.00 N ATOM 653 CZ ARG A 41 -8.400 24.726 3.319 1.00 0.00 C ATOM 654 NH1 ARG A 41 -8.396 23.553 3.892 1.00 0.00 N ATOM 655 NH2 ARG A 41 -9.370 25.566 3.558 1.00 0.00 N ATOM 0 H ARG A 41 -2.368 22.507 -0.117 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.880 24.656 -1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.621 22.841 0.545 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.657 23.588 1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.960 25.708 1.573 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.897 25.007 0.268 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.709 23.207 1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.779 23.918 3.127 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.430 25.983 2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.638 22.896 3.705 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.151 23.293 4.527 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.373 26.482 3.110 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.125 25.306 4.193 1.00 0.00 H new ATOM 669 N CYS A 42 -1.592 25.463 1.180 1.00 0.00 N ATOM 670 CA CYS A 42 -0.884 26.591 1.771 1.00 0.00 C ATOM 671 C CYS A 42 0.021 27.264 0.741 1.00 0.00 C ATOM 672 O CYS A 42 0.175 28.486 0.743 1.00 0.00 O ATOM 673 CB CYS A 42 -0.047 26.114 2.962 1.00 0.00 C ATOM 674 SG CYS A 42 -0.602 24.466 3.474 1.00 0.00 S ATOM 0 H CYS A 42 -1.220 24.547 1.432 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.621 27.318 2.112 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.008 26.085 2.690 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.143 26.815 3.791 1.00 0.00 H new ATOM 0 HG CYS A 42 0.111 24.062 4.483 1.00 0.00 H new ATOM 680 N LYS A 43 0.619 26.460 -0.136 1.00 0.00 N ATOM 681 CA LYS A 43 1.512 26.990 -1.165 1.00 0.00 C ATOM 682 C LYS A 43 0.731 27.634 -2.306 1.00 0.00 C ATOM 683 O LYS A 43 1.221 28.558 -2.956 1.00 0.00 O ATOM 684 CB LYS A 43 2.376 25.865 -1.738 1.00 0.00 C ATOM 685 CG LYS A 43 3.657 25.719 -0.915 1.00 0.00 C ATOM 686 CD LYS A 43 4.496 24.576 -1.490 1.00 0.00 C ATOM 687 CE LYS A 43 5.881 24.577 -0.840 1.00 0.00 C ATOM 688 NZ LYS A 43 6.546 23.266 -1.092 1.00 0.00 N ATOM 0 H LYS A 43 0.503 25.447 -0.155 1.00 0.00 H new ATOM 0 HA LYS A 43 2.138 27.748 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.820 24.928 -1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.624 26.079 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.225 26.649 -0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.413 25.518 0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.000 23.622 -1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.590 24.689 -2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.485 25.388 -1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.792 24.752 0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.380 23.176 -0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.880 22.494 -0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.842 23.212 -2.088 1.00 0.00 H new ATOM 702 N PHE A 44 -0.471 27.132 -2.566 1.00 0.00 N ATOM 703 CA PHE A 44 -1.283 27.665 -3.656 1.00 0.00 C ATOM 704 C PHE A 44 -1.697 29.110 -3.394 1.00 0.00 C ATOM 705 O PHE A 44 -1.548 29.969 -4.261 1.00 0.00 O ATOM 706 CB PHE A 44 -2.535 26.806 -3.829 1.00 0.00 C ATOM 707 CG PHE A 44 -3.528 27.542 -4.698 1.00 0.00 C ATOM 708 CD1 PHE A 44 -3.261 27.731 -6.060 1.00 0.00 C ATOM 709 CD2 PHE A 44 -4.711 28.045 -4.140 1.00 0.00 C ATOM 710 CE1 PHE A 44 -4.179 28.419 -6.864 1.00 0.00 C ATOM 711 CE2 PHE A 44 -5.625 28.734 -4.943 1.00 0.00 C ATOM 712 CZ PHE A 44 -5.359 28.921 -6.305 1.00 0.00 C ATOM 0 H PHE A 44 -0.901 26.367 -2.046 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.680 27.643 -4.564 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.274 25.850 -4.284 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.977 26.587 -2.857 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.348 27.347 -6.490 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.917 27.900 -3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.976 28.562 -7.915 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.536 29.122 -4.513 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.066 29.453 -6.925 1.00 0.00 H new ATOM 722 N ASN A 45 -2.208 29.376 -2.198 1.00 0.00 N ATOM 723 CA ASN A 45 -2.635 30.729 -1.847 1.00 0.00 C ATOM 724 C ASN A 45 -2.387 31.004 -0.369 1.00 0.00 C ATOM 725 O ASN A 45 -3.272 30.811 0.464 1.00 0.00 O ATOM 726 CB ASN A 45 -4.128 30.908 -2.149 1.00 0.00 C ATOM 727 CG ASN A 45 -4.350 31.235 -3.626 1.00 0.00 C ATOM 728 OD1 ASN A 45 -3.395 31.446 -4.374 1.00 0.00 O ATOM 729 ND2 ASN A 45 -5.567 31.292 -4.092 1.00 0.00 N ATOM 0 H ASN A 45 -2.337 28.683 -1.461 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.054 31.433 -2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.668 29.997 -1.889 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.535 31.708 -1.530 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.727 31.511 -5.075 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.359 31.117 -3.473 1.00 0.00 H new ATOM 736 N GLN A 46 -1.183 31.463 -0.050 1.00 0.00 N ATOM 737 CA GLN A 46 -0.842 31.768 1.332 1.00 0.00 C ATOM 738 C GLN A 46 -1.635 32.979 1.816 1.00 0.00 C ATOM 739 O GLN A 46 -1.801 33.186 3.018 1.00 0.00 O ATOM 740 CB GLN A 46 0.657 32.048 1.452 1.00 0.00 C ATOM 741 CG GLN A 46 1.033 33.226 0.550 1.00 0.00 C ATOM 742 CD GLN A 46 2.544 33.437 0.570 1.00 0.00 C ATOM 743 OE1 GLN A 46 3.280 32.739 1.391 1.00 0.00 O flip ATOM 744 NE2 GLN A 46 3.067 34.258 -0.184 1.00 0.00 N flip ATOM 0 H GLN A 46 -0.434 31.631 -0.722 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.095 30.909 1.953 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.913 32.273 2.487 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.226 31.163 1.168 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.698 33.036 -0.469 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.527 34.130 0.889 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.489 34.802 -0.825 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.078 34.394 -0.168 1.00 0.00 H new ATOM 753 N GLN A 47 -2.122 33.775 0.869 1.00 0.00 N ATOM 754 CA GLN A 47 -2.898 34.964 1.203 1.00 0.00 C ATOM 755 C GLN A 47 -4.147 34.588 1.994 1.00 0.00 C ATOM 756 O GLN A 47 -4.528 35.285 2.935 1.00 0.00 O ATOM 757 CB GLN A 47 -3.303 35.697 -0.078 1.00 0.00 C ATOM 758 CG GLN A 47 -2.050 36.095 -0.861 1.00 0.00 C ATOM 759 CD GLN A 47 -2.159 37.547 -1.313 1.00 0.00 C ATOM 760 OE1 GLN A 47 -3.187 37.956 -1.851 1.00 0.00 O ATOM 761 NE2 GLN A 47 -1.152 38.356 -1.124 1.00 0.00 N ATOM 0 H GLN A 47 -1.994 33.619 -0.131 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.279 35.618 1.817 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.938 35.056 -0.690 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.887 36.584 0.168 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.165 35.964 -0.238 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.930 35.444 -1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.301 38.015 -0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.217 39.329 -1.423 1.00 0.00 H new ATOM 770 N GLN A 48 -4.780 33.485 1.611 1.00 0.00 N ATOM 771 CA GLN A 48 -5.981 33.032 2.301 1.00 0.00 C ATOM 772 C GLN A 48 -5.701 32.855 3.789 1.00 0.00 C ATOM 773 O GLN A 48 -6.526 33.205 4.634 1.00 0.00 O ATOM 774 CB GLN A 48 -6.458 31.706 1.706 1.00 0.00 C ATOM 775 CG GLN A 48 -7.829 31.351 2.285 1.00 0.00 C ATOM 776 CD GLN A 48 -8.316 30.028 1.707 1.00 0.00 C ATOM 777 OE1 GLN A 48 -7.684 29.469 0.810 1.00 0.00 O ATOM 778 NE2 GLN A 48 -9.411 29.489 2.171 1.00 0.00 N ATOM 0 H GLN A 48 -4.485 32.893 0.834 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.760 33.784 2.174 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.519 31.783 0.620 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.741 30.916 1.930 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.767 31.281 3.371 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.544 32.141 2.057 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.933 29.954 2.914 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.744 28.603 1.790 1.00 0.00 H new ATOM 787 N ARG A 49 -4.528 32.316 4.101 1.00 0.00 N ATOM 788 CA ARG A 49 -4.140 32.103 5.490 1.00 0.00 C ATOM 789 C ARG A 49 -4.003 33.440 6.212 1.00 0.00 C ATOM 790 O ARG A 49 -4.239 33.537 7.417 1.00 0.00 O ATOM 791 CB ARG A 49 -2.812 31.347 5.551 1.00 0.00 C ATOM 792 CG ARG A 49 -2.506 30.965 7.001 1.00 0.00 C ATOM 793 CD ARG A 49 -1.198 30.174 7.056 1.00 0.00 C ATOM 794 NE ARG A 49 -0.066 31.052 6.787 1.00 0.00 N ATOM 795 CZ ARG A 49 1.124 30.560 6.459 1.00 0.00 C ATOM 796 NH1 ARG A 49 1.294 29.270 6.370 1.00 0.00 N ATOM 797 NH2 ARG A 49 2.123 31.368 6.227 1.00 0.00 N ATOM 0 H ARG A 49 -3.833 32.020 3.416 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.913 31.513 5.981 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.863 30.452 4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.010 31.967 5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.427 31.862 7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.321 30.369 7.411 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.085 29.713 8.037 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.222 29.366 6.325 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.190 32.062 6.852 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.514 28.639 6.552 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.207 28.892 6.118 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.990 32.377 6.298 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.036 30.990 5.975 1.00 0.00 H new ATOM 811 N THR A 50 -3.617 34.468 5.464 1.00 0.00 N ATOM 812 CA THR A 50 -3.449 35.799 6.037 1.00 0.00 C ATOM 813 C THR A 50 -4.797 36.496 6.183 1.00 0.00 C ATOM 814 O THR A 50 -5.723 36.247 5.412 1.00 0.00 O ATOM 815 CB THR A 50 -2.532 36.636 5.144 1.00 0.00 C ATOM 816 OG1 THR A 50 -1.318 35.933 4.924 1.00 0.00 O ATOM 817 CG2 THR A 50 -2.234 37.972 5.826 1.00 0.00 C ATOM 0 H THR A 50 -3.416 34.407 4.466 1.00 0.00 H new ATOM 0 HA THR A 50 -3.001 35.696 7.025 1.00 0.00 H new ATOM 0 HB THR A 50 -3.024 36.820 4.189 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.730 36.467 4.350 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.580 38.568 5.189 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.167 38.511 5.994 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.742 37.791 6.782 1.00 0.00 H new ATOM 825 N GLY A 51 -4.898 37.372 7.177 1.00 0.00 N ATOM 826 CA GLY A 51 -6.137 38.104 7.417 1.00 0.00 C ATOM 827 C GLY A 51 -7.151 37.226 8.140 1.00 0.00 C ATOM 828 O GLY A 51 -6.851 36.645 9.183 1.00 0.00 O ATOM 0 H GLY A 51 -4.142 37.592 7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.930 38.994 8.012 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.554 38.444 6.469 1.00 0.00 H new ATOM 832 N GLU A 52 -8.353 37.136 7.576 1.00 0.00 N ATOM 833 CA GLU A 52 -9.410 36.328 8.170 1.00 0.00 C ATOM 834 C GLU A 52 -9.675 35.077 7.311 1.00 0.00 C ATOM 835 O GLU A 52 -10.347 35.180 6.284 1.00 0.00 O ATOM 836 CB GLU A 52 -10.696 37.154 8.243 1.00 0.00 C ATOM 837 CG GLU A 52 -10.784 38.070 7.019 1.00 0.00 C ATOM 838 CD GLU A 52 -10.131 39.413 7.326 1.00 0.00 C ATOM 839 OE1 GLU A 52 -9.108 39.414 7.989 1.00 0.00 O ATOM 840 OE2 GLU A 52 -10.663 40.421 6.891 1.00 0.00 O ATOM 0 H GLU A 52 -8.617 37.611 6.713 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.098 36.021 9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.563 36.494 8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.708 37.748 9.157 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.290 37.602 6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.827 38.219 6.740 1.00 0.00 H new ATOM 847 N PRO A 53 -9.188 33.905 7.685 1.00 0.00 N ATOM 848 CA PRO A 53 -9.432 32.667 6.886 1.00 0.00 C ATOM 849 C PRO A 53 -10.919 32.423 6.649 1.00 0.00 C ATOM 850 O PRO A 53 -11.750 32.713 7.511 1.00 0.00 O ATOM 851 CB PRO A 53 -8.828 31.543 7.734 1.00 0.00 C ATOM 852 CG PRO A 53 -7.846 32.206 8.639 1.00 0.00 C ATOM 853 CD PRO A 53 -8.362 33.623 8.874 1.00 0.00 C ATOM 0 HA PRO A 53 -8.988 32.736 5.893 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.599 31.025 8.304 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.341 30.797 7.106 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -7.759 31.664 9.581 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.854 32.224 8.188 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -8.948 33.687 9.791 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.542 34.335 8.969 1.00 0.00 H new ATOM 861 N ASP A 54 -11.247 31.886 5.479 1.00 0.00 N ATOM 862 CA ASP A 54 -12.638 31.603 5.143 1.00 0.00 C ATOM 863 C ASP A 54 -12.719 30.627 3.974 1.00 0.00 C ATOM 864 O ASP A 54 -11.696 30.179 3.456 1.00 0.00 O ATOM 865 CB ASP A 54 -13.364 32.901 4.782 1.00 0.00 C ATOM 866 CG ASP A 54 -12.735 33.524 3.539 1.00 0.00 C ATOM 867 OD1 ASP A 54 -11.872 32.890 2.955 1.00 0.00 O ATOM 868 OD2 ASP A 54 -13.129 34.625 3.188 1.00 0.00 O ATOM 0 H ASP A 54 -10.575 31.639 4.752 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.117 31.151 6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.420 32.699 4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.311 33.601 5.616 1.00 0.00 H new ATOM 873 N GLU A 55 -13.940 30.297 3.565 1.00 0.00 N ATOM 874 CA GLU A 55 -14.138 29.372 2.455 1.00 0.00 C ATOM 875 C GLU A 55 -13.381 29.851 1.220 1.00 0.00 C ATOM 876 O GLU A 55 -12.194 29.566 1.061 1.00 0.00 O ATOM 877 CB GLU A 55 -15.630 29.252 2.134 1.00 0.00 C ATOM 878 CG GLU A 55 -16.363 28.632 3.327 1.00 0.00 C ATOM 879 CD GLU A 55 -16.464 29.645 4.464 1.00 0.00 C ATOM 880 OE1 GLU A 55 -16.304 30.824 4.199 1.00 0.00 O ATOM 881 OE2 GLU A 55 -16.700 29.224 5.585 1.00 0.00 O ATOM 0 H GLU A 55 -14.800 30.653 3.981 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.753 28.394 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.045 30.235 1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.773 28.636 1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.360 28.312 3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.833 27.743 3.668 1.00 0.00 H new ATOM 888 N GLU A 56 -14.076 30.581 0.350 1.00 0.00 N ATOM 889 CA GLU A 56 -13.461 31.097 -0.868 1.00 0.00 C ATOM 890 C GLU A 56 -12.538 30.053 -1.491 1.00 0.00 C ATOM 891 O GLU A 56 -11.323 30.241 -1.552 1.00 0.00 O ATOM 892 CB GLU A 56 -12.667 32.365 -0.553 1.00 0.00 C ATOM 893 CG GLU A 56 -12.282 33.068 -1.856 1.00 0.00 C ATOM 894 CD GLU A 56 -11.445 34.304 -1.550 1.00 0.00 C ATOM 895 OE1 GLU A 56 -11.189 34.547 -0.382 1.00 0.00 O ATOM 896 OE2 GLU A 56 -11.072 34.990 -2.487 1.00 0.00 O ATOM 0 H GLU A 56 -15.059 30.827 0.466 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.252 31.332 -1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.262 33.033 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.771 32.113 0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.720 32.387 -2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.180 33.353 -2.405 1.00 0.00 H new ATOM 903 N GLU A 57 -13.126 28.953 -1.950 1.00 0.00 N ATOM 904 CA GLU A 57 -12.351 27.881 -2.565 1.00 0.00 C ATOM 905 C GLU A 57 -11.503 28.420 -3.713 1.00 0.00 C ATOM 906 O GLU A 57 -11.892 29.370 -4.391 1.00 0.00 O ATOM 907 CB GLU A 57 -13.291 26.793 -3.088 1.00 0.00 C ATOM 908 CG GLU A 57 -14.114 26.226 -1.929 1.00 0.00 C ATOM 909 CD GLU A 57 -15.005 25.093 -2.426 1.00 0.00 C ATOM 910 OE1 GLU A 57 -15.063 24.894 -3.629 1.00 0.00 O ATOM 911 OE2 GLU A 57 -15.616 24.438 -1.597 1.00 0.00 O ATOM 0 H GLU A 57 -14.130 28.781 -1.908 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.689 27.458 -1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.953 27.205 -3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.715 25.998 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.450 25.860 -1.146 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.725 27.013 -1.487 1.00 0.00 H new ATOM 918 N GLY A 58 -10.343 27.807 -3.923 1.00 0.00 N ATOM 919 CA GLY A 58 -9.449 28.235 -4.991 1.00 0.00 C ATOM 920 C GLY A 58 -8.491 27.115 -5.390 1.00 0.00 C ATOM 921 O GLY A 58 -8.190 26.936 -6.570 1.00 0.00 O ATOM 0 H GLY A 58 -10.002 27.019 -3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.034 28.543 -5.858 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.880 29.106 -4.665 1.00 0.00 H new ATOM 925 N THR A 59 -8.018 26.361 -4.401 1.00 0.00 N ATOM 926 CA THR A 59 -7.096 25.259 -4.665 1.00 0.00 C ATOM 927 C THR A 59 -7.798 24.163 -5.459 1.00 0.00 C ATOM 928 O THR A 59 -9.026 24.102 -5.493 1.00 0.00 O ATOM 929 CB THR A 59 -6.578 24.680 -3.345 1.00 0.00 C ATOM 930 OG1 THR A 59 -6.547 25.704 -2.361 1.00 0.00 O ATOM 931 CG2 THR A 59 -5.169 24.116 -3.542 1.00 0.00 C ATOM 0 H THR A 59 -8.255 26.491 -3.417 1.00 0.00 H new ATOM 0 HA THR A 59 -6.257 25.641 -5.246 1.00 0.00 H new ATOM 0 HB THR A 59 -7.241 23.879 -3.018 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.103 26.497 -2.728 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.806 23.706 -2.600 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.194 23.328 -4.295 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.501 24.912 -3.872 1.00 0.00 H new ATOM 939 N PHE A 60 -7.021 23.287 -6.084 1.00 0.00 N ATOM 940 CA PHE A 60 -7.611 22.196 -6.849 1.00 0.00 C ATOM 941 C PHE A 60 -8.263 21.214 -5.891 1.00 0.00 C ATOM 942 O PHE A 60 -9.339 20.681 -6.155 1.00 0.00 O ATOM 943 CB PHE A 60 -6.548 21.485 -7.688 1.00 0.00 C ATOM 944 CG PHE A 60 -6.718 21.872 -9.138 1.00 0.00 C ATOM 945 CD1 PHE A 60 -7.794 21.363 -9.877 1.00 0.00 C ATOM 946 CD2 PHE A 60 -5.804 22.743 -9.744 1.00 0.00 C ATOM 947 CE1 PHE A 60 -7.955 21.724 -11.220 1.00 0.00 C ATOM 948 CE2 PHE A 60 -5.966 23.105 -11.087 1.00 0.00 C ATOM 949 CZ PHE A 60 -7.042 22.596 -11.825 1.00 0.00 C ATOM 0 H PHE A 60 -6.001 23.308 -6.078 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.361 22.602 -7.528 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -5.551 21.758 -7.341 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -6.641 20.405 -7.574 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.500 20.692 -9.410 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -4.974 23.136 -9.175 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.784 21.330 -11.789 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -5.261 23.777 -11.554 1.00 0.00 H new ATOM 0 HZ PHE A 60 -7.167 22.876 -12.860 1.00 0.00 H new ATOM 959 N ARG A 61 -7.598 21.002 -4.763 1.00 0.00 N ATOM 960 CA ARG A 61 -8.100 20.106 -3.736 1.00 0.00 C ATOM 961 C ARG A 61 -9.311 20.721 -3.039 1.00 0.00 C ATOM 962 O ARG A 61 -10.212 20.011 -2.604 1.00 0.00 O ATOM 963 CB ARG A 61 -6.995 19.815 -2.713 1.00 0.00 C ATOM 964 CG ARG A 61 -5.889 18.986 -3.375 1.00 0.00 C ATOM 965 CD ARG A 61 -6.218 17.490 -3.273 1.00 0.00 C ATOM 966 NE ARG A 61 -5.689 16.770 -4.429 1.00 0.00 N ATOM 967 CZ ARG A 61 -4.381 16.678 -4.648 1.00 0.00 C ATOM 968 NH1 ARG A 61 -3.538 17.239 -3.826 1.00 0.00 N ATOM 969 NH2 ARG A 61 -3.938 16.021 -5.686 1.00 0.00 N ATOM 0 H ARG A 61 -6.706 21.442 -4.538 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.407 19.171 -4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.584 20.749 -2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.407 19.275 -1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.786 19.273 -4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.933 19.190 -2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.794 17.080 -2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.298 17.352 -3.214 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.337 16.329 -5.082 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.882 17.750 -3.013 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.535 17.167 -3.996 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.595 15.579 -6.328 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.935 15.950 -5.854 1.00 0.00 H new ATOM 983 N SER A 62 -9.315 22.047 -2.926 1.00 0.00 N ATOM 984 CA SER A 62 -10.411 22.751 -2.264 1.00 0.00 C ATOM 985 C SER A 62 -11.740 22.492 -2.971 1.00 0.00 C ATOM 986 O SER A 62 -12.790 22.450 -2.330 1.00 0.00 O ATOM 987 CB SER A 62 -10.130 24.254 -2.223 1.00 0.00 C ATOM 988 OG SER A 62 -10.172 24.782 -3.540 1.00 0.00 O ATOM 0 H SER A 62 -8.576 22.653 -3.282 1.00 0.00 H new ATOM 0 HA SER A 62 -10.484 22.371 -1.245 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.867 24.755 -1.596 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.153 24.440 -1.777 1.00 0.00 H new ATOM 0 HG SER A 62 -9.861 24.103 -4.175 1.00 0.00 H new ATOM 994 N SER A 63 -11.698 22.317 -4.288 1.00 0.00 N ATOM 995 CA SER A 63 -12.922 22.060 -5.044 1.00 0.00 C ATOM 996 C SER A 63 -13.535 20.736 -4.597 1.00 0.00 C ATOM 997 O SER A 63 -14.742 20.530 -4.698 1.00 0.00 O ATOM 998 CB SER A 63 -12.618 21.997 -6.539 1.00 0.00 C ATOM 999 OG SER A 63 -13.839 21.986 -7.266 1.00 0.00 O ATOM 0 H SER A 63 -10.846 22.347 -4.848 1.00 0.00 H new ATOM 0 HA SER A 63 -13.625 22.872 -4.857 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.013 22.854 -6.835 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.038 21.103 -6.767 1.00 0.00 H new ATOM 0 HG SER A 63 -13.813 22.678 -7.959 1.00 0.00 H new ATOM 1005 N ILE A 64 -12.688 19.852 -4.095 1.00 0.00 N ATOM 1006 CA ILE A 64 -13.136 18.549 -3.616 1.00 0.00 C ATOM 1007 C ILE A 64 -14.098 18.723 -2.440 1.00 0.00 C ATOM 1008 O ILE A 64 -15.016 17.928 -2.260 1.00 0.00 O ATOM 1009 CB ILE A 64 -11.923 17.685 -3.215 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -12.162 16.230 -3.636 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -11.690 17.724 -1.696 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -11.832 16.056 -5.121 1.00 0.00 C ATOM 0 H ILE A 64 -11.684 20.011 -4.007 1.00 0.00 H new ATOM 0 HA ILE A 64 -13.668 18.037 -4.418 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.045 18.089 -3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -11.543 15.563 -3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -13.200 15.955 -3.451 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.828 17.106 -1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.503 18.751 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.573 17.343 -1.183 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.004 15.020 -5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -12.470 16.711 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.787 16.313 -5.294 1.00 0.00 H new ATOM 1024 N ARG A 65 -13.884 19.769 -1.648 1.00 0.00 N ATOM 1025 CA ARG A 65 -14.747 20.033 -0.501 1.00 0.00 C ATOM 1026 C ARG A 65 -16.190 20.178 -0.963 1.00 0.00 C ATOM 1027 O ARG A 65 -17.123 19.869 -0.223 1.00 0.00 O ATOM 1028 CB ARG A 65 -14.323 21.327 0.209 1.00 0.00 C ATOM 1029 CG ARG A 65 -12.952 21.164 0.889 1.00 0.00 C ATOM 1030 CD ARG A 65 -12.901 22.036 2.149 1.00 0.00 C ATOM 1031 NE ARG A 65 -13.955 21.644 3.084 1.00 0.00 N ATOM 1032 CZ ARG A 65 -14.029 22.167 4.305 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -13.124 23.016 4.709 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -15.003 21.825 5.105 1.00 0.00 N ATOM 0 H ARG A 65 -13.128 20.442 -1.777 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.658 19.196 0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.280 22.143 -0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -15.071 21.599 0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.785 20.119 1.150 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -12.156 21.452 0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.927 21.938 2.628 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.019 23.085 1.878 1.00 0.00 H new ATOM 0 HE ARG A 65 -14.648 20.955 2.794 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.359 23.279 4.088 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.182 23.416 5.645 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.708 21.156 4.794 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -15.059 22.226 6.041 1.00 0.00 H new ATOM 1048 N ARG A 66 -16.365 20.655 -2.188 1.00 0.00 N ATOM 1049 CA ARG A 66 -17.700 20.840 -2.733 1.00 0.00 C ATOM 1050 C ARG A 66 -18.488 19.537 -2.659 1.00 0.00 C ATOM 1051 O ARG A 66 -19.691 19.547 -2.437 1.00 0.00 O ATOM 1052 CB ARG A 66 -17.619 21.321 -4.183 1.00 0.00 C ATOM 1053 CG ARG A 66 -16.878 22.659 -4.230 1.00 0.00 C ATOM 1054 CD ARG A 66 -16.937 23.233 -5.645 1.00 0.00 C ATOM 1055 NE ARG A 66 -16.312 22.318 -6.593 1.00 0.00 N ATOM 1056 CZ ARG A 66 -16.338 22.560 -7.899 1.00 0.00 C ATOM 1057 NH1 ARG A 66 -16.931 23.632 -8.352 1.00 0.00 N ATOM 1058 NH2 ARG A 66 -15.771 21.731 -8.730 1.00 0.00 N ATOM 0 H ARG A 66 -15.606 20.918 -2.817 1.00 0.00 H new ATOM 0 HA ARG A 66 -18.214 21.596 -2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.100 20.583 -4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.621 21.432 -4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.327 23.359 -3.525 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -15.840 22.521 -3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -17.974 23.409 -5.930 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.431 24.198 -5.674 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.847 21.478 -6.248 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.374 24.283 -7.703 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.951 23.818 -9.355 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.306 20.894 -8.378 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.792 21.919 -9.732 1.00 0.00 H new ATOM 1072 N LEU A 67 -17.803 18.414 -2.839 1.00 0.00 N ATOM 1073 CA LEU A 67 -18.468 17.116 -2.775 1.00 0.00 C ATOM 1074 C LEU A 67 -19.069 16.884 -1.389 1.00 0.00 C ATOM 1075 O LEU A 67 -19.981 16.074 -1.229 1.00 0.00 O ATOM 1076 CB LEU A 67 -17.484 15.988 -3.098 1.00 0.00 C ATOM 1077 CG LEU A 67 -17.259 15.917 -4.610 1.00 0.00 C ATOM 1078 CD1 LEU A 67 -16.719 17.256 -5.115 1.00 0.00 C ATOM 1079 CD2 LEU A 67 -16.246 14.812 -4.919 1.00 0.00 C ATOM 0 H LEU A 67 -16.801 18.374 -3.028 1.00 0.00 H new ATOM 0 HA LEU A 67 -19.268 17.115 -3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -16.537 16.161 -2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -17.873 15.037 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 67 -18.204 15.699 -5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -16.560 17.201 -6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -17.438 18.045 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.774 17.477 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -16.083 14.758 -5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.303 15.033 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.630 13.856 -4.562 1.00 0.00 H new ATOM 1091 N SER A 68 -18.544 17.582 -0.385 1.00 0.00 N ATOM 1092 CA SER A 68 -19.035 17.419 0.982 1.00 0.00 C ATOM 1093 C SER A 68 -20.457 17.954 1.133 1.00 0.00 C ATOM 1094 O SER A 68 -21.325 17.278 1.686 1.00 0.00 O ATOM 1095 CB SER A 68 -18.111 18.148 1.957 1.00 0.00 C ATOM 1096 OG SER A 68 -18.456 17.787 3.288 1.00 0.00 O ATOM 0 H SER A 68 -17.788 18.258 -0.489 1.00 0.00 H new ATOM 0 HA SER A 68 -19.045 16.353 1.207 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.072 17.888 1.755 1.00 0.00 H new ATOM 0 HB3 SER A 68 -18.201 19.226 1.825 1.00 0.00 H new ATOM 0 HG SER A 68 -17.865 18.251 3.917 1.00 0.00 H new ATOM 1102 N THR A 69 -20.690 19.169 0.643 1.00 0.00 N ATOM 1103 CA THR A 69 -22.012 19.784 0.734 1.00 0.00 C ATOM 1104 C THR A 69 -22.714 19.743 -0.618 1.00 0.00 C ATOM 1105 O THR A 69 -23.923 19.530 -0.700 1.00 0.00 O ATOM 1106 CB THR A 69 -21.875 21.237 1.197 1.00 0.00 C ATOM 1107 OG1 THR A 69 -21.215 21.270 2.455 1.00 0.00 O ATOM 1108 CG2 THR A 69 -23.262 21.869 1.330 1.00 0.00 C ATOM 0 H THR A 69 -19.986 19.744 0.181 1.00 0.00 H new ATOM 0 HA THR A 69 -22.607 19.225 1.456 1.00 0.00 H new ATOM 0 HB THR A 69 -21.294 21.797 0.465 1.00 0.00 H new ATOM 0 HG1 THR A 69 -21.125 22.199 2.753 1.00 0.00 H new ATOM 0 HG21 THR A 69 -23.161 22.903 1.660 1.00 0.00 H new ATOM 0 HG22 THR A 69 -23.767 21.844 0.365 1.00 0.00 H new ATOM 0 HG23 THR A 69 -23.848 21.311 2.061 1.00 0.00 H new ATOM 1116 N ARG A 70 -21.938 19.950 -1.674 1.00 0.00 N ATOM 1117 CA ARG A 70 -22.476 19.939 -3.033 1.00 0.00 C ATOM 1118 C ARG A 70 -22.034 18.677 -3.774 1.00 0.00 C ATOM 1119 O ARG A 70 -20.908 18.602 -4.262 1.00 0.00 O ATOM 1120 CB ARG A 70 -21.983 21.178 -3.788 1.00 0.00 C ATOM 1121 CG ARG A 70 -22.721 21.306 -5.123 1.00 0.00 C ATOM 1122 CD ARG A 70 -22.071 22.413 -5.958 1.00 0.00 C ATOM 1123 NE ARG A 70 -22.653 22.445 -7.296 1.00 0.00 N ATOM 1124 CZ ARG A 70 -22.235 23.320 -8.206 1.00 0.00 C ATOM 1125 NH1 ARG A 70 -21.290 24.171 -7.910 1.00 0.00 N ATOM 1126 NH2 ARG A 70 -22.770 23.329 -9.397 1.00 0.00 N ATOM 0 H ARG A 70 -20.935 20.128 -1.619 1.00 0.00 H new ATOM 0 HA ARG A 70 -23.565 19.949 -2.980 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -22.148 22.071 -3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -20.910 21.105 -3.962 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -22.686 20.360 -5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -23.772 21.535 -4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -22.212 23.377 -5.469 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -20.996 22.244 -6.025 1.00 0.00 H new ATOM 0 HE ARG A 70 -23.393 21.785 -7.537 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -20.871 24.165 -6.980 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -20.970 24.842 -8.609 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -23.509 22.665 -9.629 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -22.449 24.000 -10.095 1.00 0.00 H new ATOM 1140 N ARG A 71 -22.925 17.691 -3.860 1.00 0.00 N ATOM 1141 CA ARG A 71 -22.602 16.443 -4.549 1.00 0.00 C ATOM 1142 C ARG A 71 -22.993 16.523 -6.024 1.00 0.00 C ATOM 1143 O ARG A 71 -22.574 17.434 -6.737 1.00 0.00 O ATOM 1144 CB ARG A 71 -23.326 15.266 -3.887 1.00 0.00 C ATOM 1145 CG ARG A 71 -22.833 15.103 -2.449 1.00 0.00 C ATOM 1146 CD ARG A 71 -23.344 13.778 -1.881 1.00 0.00 C ATOM 1147 NE ARG A 71 -24.753 13.597 -2.208 1.00 0.00 N ATOM 1148 CZ ARG A 71 -25.332 12.402 -2.125 1.00 0.00 C ATOM 1149 NH1 ARG A 71 -24.639 11.366 -1.738 1.00 0.00 N ATOM 1150 NH2 ARG A 71 -26.594 12.264 -2.429 1.00 0.00 N ATOM 0 H ARG A 71 -23.865 17.730 -3.466 1.00 0.00 H new ATOM 0 HA ARG A 71 -21.526 16.287 -4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -24.402 15.437 -3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -23.144 14.351 -4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -21.744 15.126 -2.422 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -23.185 15.933 -1.836 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -22.760 12.952 -2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -23.210 13.762 -0.799 1.00 0.00 H new ATOM 0 HE ARG A 71 -25.305 14.401 -2.506 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -23.653 11.472 -1.499 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -25.083 10.450 -1.674 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -27.137 13.073 -2.731 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -27.037 11.347 -2.365 1.00 0.00 H new ATOM 1164 N ARG A 72 -23.794 15.561 -6.477 1.00 0.00 N ATOM 1165 CA ARG A 72 -24.229 15.532 -7.868 1.00 0.00 C ATOM 1166 C ARG A 72 -25.106 16.739 -8.182 1.00 0.00 C ATOM 1167 O ARG A 72 -26.317 16.602 -8.115 1.00 0.00 O ATOM 1168 CB ARG A 72 -25.010 14.245 -8.144 1.00 0.00 C ATOM 1169 CG ARG A 72 -24.046 13.058 -8.193 1.00 0.00 C ATOM 1170 CD ARG A 72 -24.827 11.776 -8.487 1.00 0.00 C ATOM 1171 NE ARG A 72 -23.916 10.711 -8.891 1.00 0.00 N ATOM 1172 CZ ARG A 72 -24.309 9.441 -8.913 1.00 0.00 C ATOM 1173 NH1 ARG A 72 -25.526 9.129 -8.560 1.00 0.00 N ATOM 1174 NH2 ARG A 72 -23.478 8.508 -9.289 1.00 0.00 N ATOM 1175 OXT ARG A 72 -24.555 17.784 -8.487 1.00 0.00 O ATOM 0 H ARG A 72 -24.152 14.797 -5.904 1.00 0.00 H new ATOM 0 HA ARG A 72 -23.345 15.565 -8.506 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -25.757 14.087 -7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -25.547 14.329 -9.089 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -23.291 13.221 -8.962 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -23.519 12.965 -7.244 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -25.385 11.471 -7.602 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -25.556 11.959 -9.276 1.00 0.00 H new ATOM 0 HE ARG A 72 -22.961 10.945 -9.161 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -26.175 9.859 -8.267 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -25.828 8.155 -8.577 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -22.527 8.753 -9.566 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -23.779 7.534 -9.306 1.00 0.00 H new TER 1189 ARG A 72