USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 577 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 8 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.14) USER MOD Single : A 9 MET CE :methyl -162:sc= -0.0822 (180deg=-0.611) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -151:sc= -0.0896 (180deg=-0.664) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -159:sc= 0.0608 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -154:sc= -6.06! (180deg=-8.58!) USER MOD Single : A 46 SER OG : rot -150:sc= -0.185 USER MOD Single : A 50 ASN : amide:sc= -10.4! C(o=-10!,f=-13!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.207 USER MOD Single : A 57 ASN : amide:sc= -2.09! K(o=-2.1!,f=-0.96) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.431 USER MOD Single : A 69 GLN : amide:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.338 K(o=-0.34,f=-1.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot -66:sc= 1.16 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 -10.110 33.231 6.521 1.00 0.00 N ATOM 2 CA HIS A 8 -11.034 34.092 7.310 1.00 0.00 C ATOM 3 C HIS A 8 -10.352 34.510 8.616 1.00 0.00 C ATOM 4 O HIS A 8 -10.215 33.727 9.534 1.00 0.00 O ATOM 5 CB HIS A 8 -12.312 33.312 7.629 1.00 0.00 C ATOM 6 CG HIS A 8 -13.202 33.292 6.417 1.00 0.00 C ATOM 7 ND1 HIS A 8 -13.750 34.448 5.883 1.00 0.00 N ATOM 8 CD2 HIS A 8 -13.650 32.264 5.625 1.00 0.00 C ATOM 9 CE1 HIS A 8 -14.490 34.090 4.817 1.00 0.00 C ATOM 10 NE2 HIS A 8 -14.464 32.770 4.616 1.00 0.00 N ATOM 0 HA HIS A 8 -11.286 34.980 6.731 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -12.064 32.294 7.928 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -12.833 33.773 8.468 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -13.407 31.221 5.764 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -15.038 34.786 4.199 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -14.939 32.246 3.881 1.00 0.00 H new ATOM 20 N MET A 9 -9.924 35.740 8.704 1.00 0.00 N ATOM 21 CA MET A 9 -9.252 36.207 9.950 1.00 0.00 C ATOM 22 C MET A 9 -8.229 35.162 10.398 1.00 0.00 C ATOM 23 O MET A 9 -8.140 34.826 11.563 1.00 0.00 O ATOM 24 CB MET A 9 -10.296 36.402 11.051 1.00 0.00 C ATOM 25 CG MET A 9 -9.620 36.974 12.299 1.00 0.00 C ATOM 26 SD MET A 9 -10.117 38.701 12.517 1.00 0.00 S ATOM 27 CE MET A 9 -8.783 39.444 11.546 1.00 0.00 C ATOM 0 H MET A 9 -10.010 36.441 7.968 1.00 0.00 H new ATOM 0 HA MET A 9 -8.746 37.153 9.758 1.00 0.00 H new ATOM 0 HB2 MET A 9 -11.080 37.076 10.708 1.00 0.00 H new ATOM 0 HB3 MET A 9 -10.774 35.451 11.287 1.00 0.00 H new ATOM 0 HG2 MET A 9 -9.899 36.391 13.176 1.00 0.00 H new ATOM 0 HG3 MET A 9 -8.536 36.906 12.202 1.00 0.00 H new ATOM 0 HE1 MET A 9 -8.696 40.501 11.796 1.00 0.00 H new ATOM 0 HE2 MET A 9 -7.844 38.939 11.772 1.00 0.00 H new ATOM 0 HE3 MET A 9 -9.005 39.340 10.484 1.00 0.00 H new ATOM 37 N VAL A 10 -7.455 34.645 9.484 1.00 0.00 N ATOM 38 CA VAL A 10 -6.439 33.623 9.859 1.00 0.00 C ATOM 39 C VAL A 10 -5.537 34.183 10.960 1.00 0.00 C ATOM 40 O VAL A 10 -5.658 35.326 11.355 1.00 0.00 O ATOM 41 CB VAL A 10 -5.592 33.272 8.635 1.00 0.00 C ATOM 42 CG1 VAL A 10 -6.492 32.699 7.539 1.00 0.00 C ATOM 43 CG2 VAL A 10 -4.899 34.534 8.116 1.00 0.00 C ATOM 0 H VAL A 10 -7.483 34.887 8.493 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.942 32.726 10.221 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.841 32.532 8.913 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.889 32.449 6.666 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.987 31.801 7.908 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.243 33.439 7.261 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.295 34.285 7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.650 35.273 7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.258 34.944 8.896 1.00 0.00 H new ATOM 53 N GLU A 11 -4.632 33.387 11.462 1.00 0.00 N ATOM 54 CA GLU A 11 -3.725 33.876 12.538 1.00 0.00 C ATOM 55 C GLU A 11 -2.339 33.251 12.361 1.00 0.00 C ATOM 56 O GLU A 11 -2.010 32.736 11.310 1.00 0.00 O ATOM 57 CB GLU A 11 -4.292 33.479 13.902 1.00 0.00 C ATOM 58 CG GLU A 11 -4.505 34.734 14.752 1.00 0.00 C ATOM 59 CD GLU A 11 -5.759 34.563 15.610 1.00 0.00 C ATOM 60 OE1 GLU A 11 -6.379 33.517 15.516 1.00 0.00 O ATOM 61 OE2 GLU A 11 -6.078 35.481 16.347 1.00 0.00 O ATOM 0 H GLU A 11 -4.482 32.420 11.173 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.644 34.961 12.479 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.236 32.949 13.775 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.608 32.797 14.407 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.637 34.907 15.388 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.608 35.608 14.109 1.00 0.00 H new ATOM 68 N GLU A 12 -1.525 33.293 13.379 1.00 0.00 N ATOM 69 CA GLU A 12 -0.162 32.700 13.268 1.00 0.00 C ATOM 70 C GLU A 12 -0.275 31.181 13.127 1.00 0.00 C ATOM 71 O GLU A 12 -1.352 30.621 13.180 1.00 0.00 O ATOM 72 CB GLU A 12 0.643 33.037 14.525 1.00 0.00 C ATOM 73 CG GLU A 12 1.947 33.731 14.126 1.00 0.00 C ATOM 74 CD GLU A 12 3.114 33.107 14.892 1.00 0.00 C ATOM 75 OE1 GLU A 12 3.381 33.556 15.994 1.00 0.00 O ATOM 76 OE2 GLU A 12 3.722 32.191 14.364 1.00 0.00 O ATOM 0 H GLU A 12 -1.744 33.712 14.283 1.00 0.00 H new ATOM 0 HA GLU A 12 0.342 33.109 12.392 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.060 33.684 15.180 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.859 32.128 15.086 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.109 33.633 13.053 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.885 34.797 14.343 1.00 0.00 H new ATOM 83 N VAL A 13 0.829 30.509 12.946 1.00 0.00 N ATOM 84 CA VAL A 13 0.783 29.027 12.802 1.00 0.00 C ATOM 85 C VAL A 13 1.785 28.389 13.766 1.00 0.00 C ATOM 86 O VAL A 13 1.450 27.502 14.527 1.00 0.00 O ATOM 87 CB VAL A 13 1.143 28.642 11.365 1.00 0.00 C ATOM 88 CG1 VAL A 13 1.157 27.119 11.232 1.00 0.00 C ATOM 89 CG2 VAL A 13 0.104 29.228 10.406 1.00 0.00 C ATOM 0 H VAL A 13 1.760 30.922 12.892 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.221 28.671 13.033 1.00 0.00 H new ATOM 0 HB VAL A 13 2.129 29.036 11.120 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.413 26.845 10.208 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.896 26.701 11.915 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.171 26.723 11.477 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.359 28.955 9.382 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.882 28.833 10.652 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.094 30.314 10.500 1.00 0.00 H new ATOM 99 N LEU A 14 3.011 28.833 13.742 1.00 0.00 N ATOM 100 CA LEU A 14 4.033 28.251 14.658 1.00 0.00 C ATOM 101 C LEU A 14 4.168 26.751 14.385 1.00 0.00 C ATOM 102 O LEU A 14 3.293 25.971 14.703 1.00 0.00 O ATOM 103 CB LEU A 14 3.597 28.467 16.110 1.00 0.00 C ATOM 104 CG LEU A 14 4.208 29.766 16.638 1.00 0.00 C ATOM 105 CD1 LEU A 14 3.409 30.250 17.848 1.00 0.00 C ATOM 106 CD2 LEU A 14 5.659 29.514 17.053 1.00 0.00 C ATOM 0 H LEU A 14 3.350 29.574 13.128 1.00 0.00 H new ATOM 0 HA LEU A 14 4.993 28.739 14.489 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.510 28.513 16.171 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.916 27.626 16.726 1.00 0.00 H new ATOM 0 HG LEU A 14 4.180 30.525 15.857 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.844 31.176 18.225 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.375 30.429 17.553 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.438 29.491 18.630 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.096 30.439 17.429 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.687 28.755 17.835 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.229 29.168 16.191 1.00 0.00 H new ATOM 118 N GLU A 15 5.259 26.342 13.797 1.00 0.00 N ATOM 119 CA GLU A 15 5.449 24.893 13.505 1.00 0.00 C ATOM 120 C GLU A 15 4.253 24.372 12.705 1.00 0.00 C ATOM 121 O GLU A 15 3.417 25.130 12.255 1.00 0.00 O ATOM 122 CB GLU A 15 5.561 24.117 14.819 1.00 0.00 C ATOM 123 CG GLU A 15 6.513 22.933 14.635 1.00 0.00 C ATOM 124 CD GLU A 15 7.797 23.182 15.428 1.00 0.00 C ATOM 125 OE1 GLU A 15 8.125 24.338 15.640 1.00 0.00 O ATOM 126 OE2 GLU A 15 8.431 22.212 15.811 1.00 0.00 O ATOM 0 H GLU A 15 6.026 26.948 13.506 1.00 0.00 H new ATOM 0 HA GLU A 15 6.361 24.757 12.924 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.927 24.772 15.610 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.578 23.762 15.129 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.036 22.013 14.974 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.746 22.801 13.578 1.00 0.00 H new ATOM 133 N GLU A 16 4.165 23.082 12.524 1.00 0.00 N ATOM 134 CA GLU A 16 3.023 22.515 11.753 1.00 0.00 C ATOM 135 C GLU A 16 3.159 22.905 10.279 1.00 0.00 C ATOM 136 O GLU A 16 2.394 23.697 9.764 1.00 0.00 O ATOM 137 CB GLU A 16 1.707 23.064 12.306 1.00 0.00 C ATOM 138 CG GLU A 16 1.744 23.036 13.836 1.00 0.00 C ATOM 139 CD GLU A 16 0.364 22.651 14.372 1.00 0.00 C ATOM 140 OE1 GLU A 16 -0.119 21.593 14.003 1.00 0.00 O ATOM 141 OE2 GLU A 16 -0.186 23.420 15.144 1.00 0.00 O ATOM 0 H GLU A 16 4.834 22.397 12.876 1.00 0.00 H new ATOM 0 HA GLU A 16 3.029 21.429 11.845 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.550 24.084 11.954 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.870 22.468 11.941 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.492 22.321 14.179 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.036 24.013 14.221 1.00 0.00 H new ATOM 148 N GLU A 17 4.127 22.358 9.597 1.00 0.00 N ATOM 149 CA GLU A 17 4.310 22.698 8.159 1.00 0.00 C ATOM 150 C GLU A 17 4.124 21.440 7.309 1.00 0.00 C ATOM 151 O GLU A 17 4.668 20.394 7.604 1.00 0.00 O ATOM 152 CB GLU A 17 5.720 23.255 7.942 1.00 0.00 C ATOM 153 CG GLU A 17 5.643 24.517 7.079 1.00 0.00 C ATOM 154 CD GLU A 17 6.185 24.214 5.682 1.00 0.00 C ATOM 155 OE1 GLU A 17 7.388 24.056 5.557 1.00 0.00 O ATOM 156 OE2 GLU A 17 5.388 24.146 4.761 1.00 0.00 O ATOM 0 H GLU A 17 4.799 21.690 9.974 1.00 0.00 H new ATOM 0 HA GLU A 17 3.573 23.446 7.867 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.183 23.485 8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.347 22.507 7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.611 24.863 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.220 25.320 7.538 1.00 0.00 H new ATOM 163 N GLU A 18 3.359 21.531 6.256 1.00 0.00 N ATOM 164 CA GLU A 18 3.139 20.340 5.391 1.00 0.00 C ATOM 165 C GLU A 18 4.249 20.259 4.341 1.00 0.00 C ATOM 166 O GLU A 18 4.451 21.171 3.564 1.00 0.00 O ATOM 167 CB GLU A 18 1.783 20.459 4.690 1.00 0.00 C ATOM 168 CG GLU A 18 0.662 20.334 5.723 1.00 0.00 C ATOM 169 CD GLU A 18 -0.328 21.486 5.544 1.00 0.00 C ATOM 170 OE1 GLU A 18 -1.001 21.511 4.526 1.00 0.00 O ATOM 171 OE2 GLU A 18 -0.398 22.324 6.428 1.00 0.00 O ATOM 0 H GLU A 18 2.877 22.379 5.958 1.00 0.00 H new ATOM 0 HA GLU A 18 3.152 19.440 6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.711 21.416 4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.683 19.681 3.933 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.150 19.379 5.606 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.078 20.351 6.730 1.00 0.00 H new ATOM 178 N GLU A 19 4.971 19.172 4.311 1.00 0.00 N ATOM 179 CA GLU A 19 6.067 19.031 3.313 1.00 0.00 C ATOM 180 C GLU A 19 5.979 17.654 2.654 1.00 0.00 C ATOM 181 O GLU A 19 5.815 17.538 1.455 1.00 0.00 O ATOM 182 CB GLU A 19 7.419 19.176 4.014 1.00 0.00 C ATOM 183 CG GLU A 19 7.510 20.557 4.665 1.00 0.00 C ATOM 184 CD GLU A 19 8.649 20.566 5.688 1.00 0.00 C ATOM 185 OE1 GLU A 19 9.725 20.100 5.351 1.00 0.00 O ATOM 186 OE2 GLU A 19 8.425 21.040 6.790 1.00 0.00 O ATOM 0 H GLU A 19 4.848 18.375 4.936 1.00 0.00 H new ATOM 0 HA GLU A 19 5.969 19.806 2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.535 18.398 4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.229 19.047 3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.684 21.318 3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.567 20.804 5.153 1.00 0.00 H new ATOM 193 N GLU A 20 6.087 16.609 3.427 1.00 0.00 N ATOM 194 CA GLU A 20 6.007 15.241 2.844 1.00 0.00 C ATOM 195 C GLU A 20 7.321 14.911 2.131 1.00 0.00 C ATOM 196 O GLU A 20 7.804 15.671 1.316 1.00 0.00 O ATOM 197 CB GLU A 20 4.853 15.180 1.841 1.00 0.00 C ATOM 198 CG GLU A 20 3.660 15.965 2.388 1.00 0.00 C ATOM 199 CD GLU A 20 2.421 15.066 2.406 1.00 0.00 C ATOM 200 OE1 GLU A 20 2.330 14.200 1.551 1.00 0.00 O ATOM 201 OE2 GLU A 20 1.586 15.258 3.274 1.00 0.00 O ATOM 0 H GLU A 20 6.227 16.643 4.437 1.00 0.00 H new ATOM 0 HA GLU A 20 5.835 14.517 3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.167 15.595 0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.568 14.143 1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.877 16.323 3.394 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.476 16.844 1.770 1.00 0.00 H new ATOM 208 N TYR A 21 7.902 13.782 2.433 1.00 0.00 N ATOM 209 CA TYR A 21 9.184 13.402 1.775 1.00 0.00 C ATOM 210 C TYR A 21 9.478 11.926 2.040 1.00 0.00 C ATOM 211 O TYR A 21 10.617 11.500 2.026 1.00 0.00 O ATOM 212 CB TYR A 21 10.321 14.248 2.347 1.00 0.00 C ATOM 213 CG TYR A 21 10.769 15.256 1.316 1.00 0.00 C ATOM 214 CD1 TYR A 21 11.276 14.820 0.085 1.00 0.00 C ATOM 215 CD2 TYR A 21 10.678 16.627 1.590 1.00 0.00 C ATOM 216 CE1 TYR A 21 11.692 15.755 -0.873 1.00 0.00 C ATOM 217 CE2 TYR A 21 11.095 17.562 0.633 1.00 0.00 C ATOM 218 CZ TYR A 21 11.600 17.126 -0.599 1.00 0.00 C ATOM 219 OH TYR A 21 12.010 18.047 -1.542 1.00 0.00 O ATOM 0 H TYR A 21 7.544 13.106 3.108 1.00 0.00 H new ATOM 0 HA TYR A 21 9.101 13.573 0.702 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.989 14.760 3.250 1.00 0.00 H new ATOM 0 HB3 TYR A 21 11.156 13.608 2.632 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.346 13.763 -0.126 1.00 0.00 H new ATOM 0 HD2 TYR A 21 10.286 16.963 2.539 1.00 0.00 H new ATOM 0 HE1 TYR A 21 12.083 15.419 -1.822 1.00 0.00 H new ATOM 0 HE2 TYR A 21 11.027 18.619 0.845 1.00 0.00 H new ATOM 0 HH TYR A 21 11.878 18.953 -1.193 1.00 0.00 H new ATOM 229 N VAL A 22 8.468 11.140 2.292 1.00 0.00 N ATOM 230 CA VAL A 22 8.707 9.699 2.567 1.00 0.00 C ATOM 231 C VAL A 22 7.545 8.862 2.028 1.00 0.00 C ATOM 232 O VAL A 22 7.624 8.284 0.962 1.00 0.00 O ATOM 233 CB VAL A 22 8.824 9.478 4.077 1.00 0.00 C ATOM 234 CG1 VAL A 22 10.301 9.403 4.469 1.00 0.00 C ATOM 235 CG2 VAL A 22 8.155 10.631 4.833 1.00 0.00 C ATOM 0 H VAL A 22 7.492 11.434 2.319 1.00 0.00 H new ATOM 0 HA VAL A 22 9.631 9.395 2.075 1.00 0.00 H new ATOM 0 HB VAL A 22 8.326 8.544 4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.385 9.246 5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.775 8.574 3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.797 10.335 4.199 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.245 10.463 5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.643 11.570 4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.101 10.682 4.560 1.00 0.00 H new ATOM 245 N VAL A 23 6.470 8.787 2.763 1.00 0.00 N ATOM 246 CA VAL A 23 5.305 7.982 2.302 1.00 0.00 C ATOM 247 C VAL A 23 4.395 8.851 1.438 1.00 0.00 C ATOM 248 O VAL A 23 3.732 9.746 1.922 1.00 0.00 O ATOM 249 CB VAL A 23 4.524 7.476 3.515 1.00 0.00 C ATOM 250 CG1 VAL A 23 3.440 6.499 3.054 1.00 0.00 C ATOM 251 CG2 VAL A 23 5.479 6.760 4.473 1.00 0.00 C ATOM 0 H VAL A 23 6.348 9.249 3.664 1.00 0.00 H new ATOM 0 HA VAL A 23 5.659 7.133 1.717 1.00 0.00 H new ATOM 0 HB VAL A 23 4.060 8.320 4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.883 6.138 3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.759 7.007 2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.904 5.655 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.923 6.399 5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.943 5.916 3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.252 7.454 4.802 1.00 0.00 H new ATOM 261 N GLU A 24 4.356 8.595 0.161 1.00 0.00 N ATOM 262 CA GLU A 24 3.487 9.409 -0.730 1.00 0.00 C ATOM 263 C GLU A 24 2.134 8.714 -0.890 1.00 0.00 C ATOM 264 O GLU A 24 1.118 9.348 -1.091 1.00 0.00 O ATOM 265 CB GLU A 24 4.152 9.552 -2.100 1.00 0.00 C ATOM 266 CG GLU A 24 3.481 10.687 -2.877 1.00 0.00 C ATOM 267 CD GLU A 24 2.543 10.098 -3.932 1.00 0.00 C ATOM 268 OE1 GLU A 24 3.000 9.277 -4.710 1.00 0.00 O ATOM 269 OE2 GLU A 24 1.384 10.479 -3.944 1.00 0.00 O ATOM 0 H GLU A 24 4.888 7.858 -0.303 1.00 0.00 H new ATOM 0 HA GLU A 24 3.341 10.397 -0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.216 9.758 -1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.069 8.618 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.922 11.328 -2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.236 11.311 -3.354 1.00 0.00 H new ATOM 276 N LYS A 25 2.116 7.412 -0.806 1.00 0.00 N ATOM 277 CA LYS A 25 0.832 6.671 -0.955 1.00 0.00 C ATOM 278 C LYS A 25 1.130 5.188 -1.184 1.00 0.00 C ATOM 279 O LYS A 25 2.235 4.729 -0.976 1.00 0.00 O ATOM 280 CB LYS A 25 0.060 7.227 -2.154 1.00 0.00 C ATOM 281 CG LYS A 25 -1.244 7.864 -1.671 1.00 0.00 C ATOM 282 CD LYS A 25 -2.296 7.776 -2.779 1.00 0.00 C ATOM 283 CE LYS A 25 -2.119 8.947 -3.746 1.00 0.00 C ATOM 284 NZ LYS A 25 -2.502 10.216 -3.066 1.00 0.00 N ATOM 0 H LYS A 25 2.936 6.829 -0.640 1.00 0.00 H new ATOM 0 HA LYS A 25 0.233 6.789 -0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.665 7.966 -2.679 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.154 6.428 -2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.600 7.355 -0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.073 8.906 -1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.198 6.831 -3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.297 7.795 -2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.084 9.001 -4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.735 8.797 -4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.856 10.894 -3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.247 10.024 -2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.671 10.617 -2.586 1.00 0.00 H new ATOM 298 N VAL A 26 0.155 4.433 -1.612 1.00 0.00 N ATOM 299 CA VAL A 26 0.393 2.981 -1.853 1.00 0.00 C ATOM 300 C VAL A 26 0.776 2.771 -3.317 1.00 0.00 C ATOM 301 O VAL A 26 1.224 3.681 -3.986 1.00 0.00 O ATOM 302 CB VAL A 26 -0.878 2.183 -1.541 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.492 0.821 -0.962 1.00 0.00 C ATOM 304 CG2 VAL A 26 -1.730 2.941 -0.522 1.00 0.00 C ATOM 0 H VAL A 26 -0.793 4.757 -1.805 1.00 0.00 H new ATOM 0 HA VAL A 26 1.199 2.636 -1.205 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.450 2.046 -2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.394 0.251 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.112 0.275 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.082 0.964 -0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.632 2.369 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.160 3.082 0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.007 3.913 -0.930 1.00 0.00 H new ATOM 314 N LEU A 27 0.602 1.582 -3.823 1.00 0.00 N ATOM 315 CA LEU A 27 0.958 1.321 -5.246 1.00 0.00 C ATOM 316 C LEU A 27 0.548 -0.103 -5.627 1.00 0.00 C ATOM 317 O LEU A 27 0.175 -0.369 -6.753 1.00 0.00 O ATOM 318 CB LEU A 27 2.468 1.484 -5.432 1.00 0.00 C ATOM 319 CG LEU A 27 2.754 2.791 -6.173 1.00 0.00 C ATOM 320 CD1 LEU A 27 4.124 3.327 -5.753 1.00 0.00 C ATOM 321 CD2 LEU A 27 2.751 2.534 -7.682 1.00 0.00 C ATOM 0 H LEU A 27 0.229 0.781 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 27 0.433 2.031 -5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.966 1.487 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.869 0.640 -5.994 1.00 0.00 H new ATOM 0 HG LEU A 27 1.985 3.523 -5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.328 4.258 -6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.129 3.510 -4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.893 2.594 -6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.955 3.465 -8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.520 1.802 -7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.776 2.152 -7.984 1.00 0.00 H new ATOM 333 N ASP A 28 0.614 -1.023 -4.703 1.00 0.00 N ATOM 334 CA ASP A 28 0.228 -2.425 -5.027 1.00 0.00 C ATOM 335 C ASP A 28 -0.067 -3.193 -3.735 1.00 0.00 C ATOM 336 O ASP A 28 0.004 -2.653 -2.649 1.00 0.00 O ATOM 337 CB ASP A 28 1.373 -3.110 -5.775 1.00 0.00 C ATOM 338 CG ASP A 28 0.841 -3.737 -7.064 1.00 0.00 C ATOM 339 OD1 ASP A 28 0.242 -3.016 -7.846 1.00 0.00 O ATOM 340 OD2 ASP A 28 1.043 -4.925 -7.250 1.00 0.00 O ATOM 0 H ASP A 28 0.917 -0.865 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.664 -2.416 -5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.154 -2.386 -6.006 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.825 -3.876 -5.145 1.00 0.00 H new ATOM 345 N ARG A 29 -0.397 -4.450 -3.848 1.00 0.00 N ATOM 346 CA ARG A 29 -0.698 -5.258 -2.632 1.00 0.00 C ATOM 347 C ARG A 29 -0.653 -6.746 -2.989 1.00 0.00 C ATOM 348 O ARG A 29 -1.372 -7.208 -3.853 1.00 0.00 O ATOM 349 CB ARG A 29 -2.092 -4.900 -2.114 1.00 0.00 C ATOM 350 CG ARG A 29 -2.474 -5.847 -0.975 1.00 0.00 C ATOM 351 CD ARG A 29 -3.659 -6.714 -1.407 1.00 0.00 C ATOM 352 NE ARG A 29 -4.908 -5.904 -1.362 1.00 0.00 N ATOM 353 CZ ARG A 29 -6.062 -6.471 -1.592 1.00 0.00 C ATOM 354 NH1 ARG A 29 -6.175 -7.359 -2.542 1.00 0.00 N ATOM 355 NH2 ARG A 29 -7.101 -6.152 -0.871 1.00 0.00 N ATOM 0 H ARG A 29 -0.471 -4.954 -4.732 1.00 0.00 H new ATOM 0 HA ARG A 29 0.041 -5.045 -1.860 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.107 -3.868 -1.763 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.821 -4.973 -2.921 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.625 -6.478 -0.712 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.734 -5.275 -0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.496 -7.095 -2.415 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.750 -7.579 -0.750 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.862 -4.907 -1.152 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.362 -7.610 -3.105 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.076 -7.802 -2.722 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.013 -5.460 -0.127 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.002 -6.595 -1.051 1.00 0.00 H new ATOM 369 N ARG A 30 0.186 -7.501 -2.333 1.00 0.00 N ATOM 370 CA ARG A 30 0.273 -8.957 -2.639 1.00 0.00 C ATOM 371 C ARG A 30 0.239 -9.758 -1.337 1.00 0.00 C ATOM 372 O ARG A 30 -0.156 -9.262 -0.301 1.00 0.00 O ATOM 373 CB ARG A 30 1.583 -9.243 -3.378 1.00 0.00 C ATOM 374 CG ARG A 30 2.765 -8.966 -2.447 1.00 0.00 C ATOM 375 CD ARG A 30 4.076 -9.192 -3.203 1.00 0.00 C ATOM 376 NE ARG A 30 5.160 -9.516 -2.234 1.00 0.00 N ATOM 377 CZ ARG A 30 6.361 -9.788 -2.665 1.00 0.00 C ATOM 378 NH1 ARG A 30 7.098 -8.843 -3.183 1.00 0.00 N ATOM 379 NH2 ARG A 30 6.825 -11.004 -2.580 1.00 0.00 N ATOM 0 H ARG A 30 0.814 -7.173 -1.599 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.571 -9.247 -3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.605 -10.280 -3.713 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.654 -8.619 -4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.718 -7.942 -2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.717 -9.621 -1.577 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.959 -10.005 -3.919 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.338 -8.300 -3.773 1.00 0.00 H new ATOM 0 HE ARG A 30 4.963 -9.525 -1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.735 -7.892 -3.251 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.037 -9.055 -3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.249 -11.743 -2.176 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.764 -11.216 -2.917 1.00 0.00 H new ATOM 393 N VAL A 31 0.652 -10.995 -1.381 1.00 0.00 N ATOM 394 CA VAL A 31 0.645 -11.829 -0.146 1.00 0.00 C ATOM 395 C VAL A 31 1.790 -12.842 -0.213 1.00 0.00 C ATOM 396 O VAL A 31 2.180 -13.286 -1.274 1.00 0.00 O ATOM 397 CB VAL A 31 -0.696 -12.567 -0.035 1.00 0.00 C ATOM 398 CG1 VAL A 31 -0.568 -13.742 0.938 1.00 0.00 C ATOM 399 CG2 VAL A 31 -1.762 -11.601 0.483 1.00 0.00 C ATOM 0 H VAL A 31 0.994 -11.464 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 31 0.777 -11.192 0.728 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.980 -12.943 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.524 -14.260 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.193 -14.433 0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.281 -13.370 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.716 -12.121 0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.469 -11.227 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.862 -10.765 -0.209 1.00 0.00 H new ATOM 409 N VAL A 32 2.328 -13.213 0.916 1.00 0.00 N ATOM 410 CA VAL A 32 3.443 -14.199 0.924 1.00 0.00 C ATOM 411 C VAL A 32 2.914 -15.553 1.396 1.00 0.00 C ATOM 412 O VAL A 32 3.395 -16.594 0.996 1.00 0.00 O ATOM 413 CB VAL A 32 4.536 -13.720 1.880 1.00 0.00 C ATOM 414 CG1 VAL A 32 5.660 -14.756 1.933 1.00 0.00 C ATOM 415 CG2 VAL A 32 5.099 -12.386 1.382 1.00 0.00 C ATOM 0 H VAL A 32 2.042 -12.875 1.835 1.00 0.00 H new ATOM 0 HA VAL A 32 3.855 -14.296 -0.081 1.00 0.00 H new ATOM 0 HB VAL A 32 4.114 -13.590 2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.439 -14.414 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.262 -15.707 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.082 -14.886 0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.878 -12.043 2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.520 -12.518 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.300 -11.646 1.343 1.00 0.00 H new ATOM 425 N LYS A 33 1.924 -15.544 2.247 1.00 0.00 N ATOM 426 CA LYS A 33 1.356 -16.825 2.753 1.00 0.00 C ATOM 427 C LYS A 33 0.539 -16.551 4.016 1.00 0.00 C ATOM 428 O LYS A 33 0.542 -17.328 4.950 1.00 0.00 O ATOM 429 CB LYS A 33 2.495 -17.790 3.085 1.00 0.00 C ATOM 430 CG LYS A 33 3.631 -17.019 3.758 1.00 0.00 C ATOM 431 CD LYS A 33 4.399 -17.953 4.695 1.00 0.00 C ATOM 432 CE LYS A 33 4.720 -17.220 5.998 1.00 0.00 C ATOM 433 NZ LYS A 33 5.674 -18.034 6.805 1.00 0.00 N ATOM 0 H LYS A 33 1.483 -14.701 2.615 1.00 0.00 H new ATOM 0 HA LYS A 33 0.715 -17.267 1.991 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.136 -18.581 3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.856 -18.272 2.176 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.304 -16.610 3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.229 -16.175 4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.806 -18.844 4.903 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.320 -18.287 4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.152 -16.243 5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.805 -17.045 6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.892 -17.535 7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.245 -18.956 7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.551 -18.179 6.264 1.00 0.00 H new ATOM 447 N GLY A 34 -0.158 -15.449 4.054 1.00 0.00 N ATOM 448 CA GLY A 34 -0.972 -15.123 5.259 1.00 0.00 C ATOM 449 C GLY A 34 -0.621 -13.715 5.744 1.00 0.00 C ATOM 450 O GLY A 34 -1.358 -13.106 6.494 1.00 0.00 O ATOM 0 H GLY A 34 -0.199 -14.760 3.303 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.034 -15.183 5.021 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.780 -15.850 6.048 1.00 0.00 H new ATOM 454 N LYS A 35 0.499 -13.193 5.321 1.00 0.00 N ATOM 455 CA LYS A 35 0.892 -11.823 5.759 1.00 0.00 C ATOM 456 C LYS A 35 0.632 -10.834 4.621 1.00 0.00 C ATOM 457 O LYS A 35 1.477 -10.606 3.777 1.00 0.00 O ATOM 458 CB LYS A 35 2.380 -11.810 6.119 1.00 0.00 C ATOM 459 CG LYS A 35 2.613 -12.679 7.356 1.00 0.00 C ATOM 460 CD LYS A 35 3.672 -12.026 8.247 1.00 0.00 C ATOM 461 CE LYS A 35 3.498 -12.513 9.687 1.00 0.00 C ATOM 462 NZ LYS A 35 4.811 -12.983 10.214 1.00 0.00 N ATOM 0 H LYS A 35 1.157 -13.655 4.693 1.00 0.00 H new ATOM 0 HA LYS A 35 0.306 -11.536 6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.971 -12.183 5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.710 -10.789 6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.682 -12.800 7.909 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.938 -13.676 7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.670 -12.275 7.886 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.579 -10.941 8.205 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.111 -11.707 10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.769 -13.322 9.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.694 -13.314 11.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.162 -13.764 9.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.494 -12.199 10.193 1.00 0.00 H new ATOM 476 N VAL A 36 -0.532 -10.244 4.589 1.00 0.00 N ATOM 477 CA VAL A 36 -0.847 -9.272 3.505 1.00 0.00 C ATOM 478 C VAL A 36 0.229 -8.184 3.461 1.00 0.00 C ATOM 479 O VAL A 36 0.632 -7.656 4.479 1.00 0.00 O ATOM 480 CB VAL A 36 -2.210 -8.631 3.776 1.00 0.00 C ATOM 481 CG1 VAL A 36 -2.415 -7.447 2.829 1.00 0.00 C ATOM 482 CG2 VAL A 36 -3.314 -9.664 3.543 1.00 0.00 C ATOM 0 H VAL A 36 -1.279 -10.394 5.268 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.873 -9.793 2.548 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.248 -8.283 4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.386 -6.991 3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.629 -6.710 2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.377 -7.796 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.285 -9.208 3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.275 -10.012 2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.170 -10.509 4.216 1.00 0.00 H new ATOM 492 N GLU A 37 0.696 -7.846 2.291 1.00 0.00 N ATOM 493 CA GLU A 37 1.744 -6.793 2.179 1.00 0.00 C ATOM 494 C GLU A 37 1.219 -5.646 1.313 1.00 0.00 C ATOM 495 O GLU A 37 0.375 -5.836 0.460 1.00 0.00 O ATOM 496 CB GLU A 37 2.997 -7.388 1.534 1.00 0.00 C ATOM 497 CG GLU A 37 4.196 -7.185 2.463 1.00 0.00 C ATOM 498 CD GLU A 37 4.215 -8.290 3.521 1.00 0.00 C ATOM 499 OE1 GLU A 37 3.426 -9.212 3.399 1.00 0.00 O ATOM 500 OE2 GLU A 37 5.017 -8.194 4.434 1.00 0.00 O ATOM 0 H GLU A 37 0.396 -8.255 1.406 1.00 0.00 H new ATOM 0 HA GLU A 37 1.991 -6.417 3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.849 -8.450 1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.185 -6.912 0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.122 -7.202 1.888 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.136 -6.208 2.943 1.00 0.00 H new ATOM 507 N TYR A 38 1.712 -4.455 1.523 1.00 0.00 N ATOM 508 CA TYR A 38 1.238 -3.300 0.711 1.00 0.00 C ATOM 509 C TYR A 38 2.443 -2.524 0.173 1.00 0.00 C ATOM 510 O TYR A 38 3.266 -2.040 0.924 1.00 0.00 O ATOM 511 CB TYR A 38 0.387 -2.377 1.584 1.00 0.00 C ATOM 512 CG TYR A 38 -1.012 -2.934 1.694 1.00 0.00 C ATOM 513 CD1 TYR A 38 -1.299 -3.926 2.641 1.00 0.00 C ATOM 514 CD2 TYR A 38 -2.024 -2.458 0.849 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.597 -4.443 2.742 1.00 0.00 C ATOM 516 CE2 TYR A 38 -3.322 -2.975 0.952 1.00 0.00 C ATOM 517 CZ TYR A 38 -3.609 -3.967 1.899 1.00 0.00 C ATOM 518 OH TYR A 38 -4.888 -4.475 1.999 1.00 0.00 O ATOM 0 H TYR A 38 2.422 -4.233 2.221 1.00 0.00 H new ATOM 0 HA TYR A 38 0.639 -3.665 -0.123 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.832 -2.285 2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.358 -1.376 1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.520 -4.292 3.293 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.803 -1.693 0.119 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.817 -5.209 3.470 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.102 -2.609 0.301 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.467 -4.035 1.342 1.00 0.00 H new ATOM 528 N LEU A 39 2.552 -2.402 -1.121 1.00 0.00 N ATOM 529 CA LEU A 39 3.702 -1.658 -1.706 1.00 0.00 C ATOM 530 C LEU A 39 3.428 -0.155 -1.632 1.00 0.00 C ATOM 531 O LEU A 39 2.445 0.333 -2.157 1.00 0.00 O ATOM 532 CB LEU A 39 3.888 -2.070 -3.168 1.00 0.00 C ATOM 533 CG LEU A 39 5.249 -1.583 -3.668 1.00 0.00 C ATOM 534 CD1 LEU A 39 6.015 -2.753 -4.286 1.00 0.00 C ATOM 535 CD2 LEU A 39 5.044 -0.495 -4.724 1.00 0.00 C ATOM 0 H LEU A 39 1.894 -2.786 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 39 4.607 -1.891 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.821 -3.154 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.091 -1.647 -3.780 1.00 0.00 H new ATOM 0 HG LEU A 39 5.819 -1.177 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.985 -2.405 -4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.161 -3.529 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.446 -3.159 -5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.013 -0.147 -5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.474 -0.902 -5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.498 0.340 -4.285 1.00 0.00 H new ATOM 547 N LEU A 40 4.288 0.584 -0.985 1.00 0.00 N ATOM 548 CA LEU A 40 4.074 2.056 -0.878 1.00 0.00 C ATOM 549 C LEU A 40 4.997 2.779 -1.861 1.00 0.00 C ATOM 550 O LEU A 40 5.684 2.163 -2.652 1.00 0.00 O ATOM 551 CB LEU A 40 4.389 2.518 0.547 1.00 0.00 C ATOM 552 CG LEU A 40 3.672 1.612 1.550 1.00 0.00 C ATOM 553 CD1 LEU A 40 4.703 0.778 2.312 1.00 0.00 C ATOM 554 CD2 LEU A 40 2.884 2.475 2.539 1.00 0.00 C ATOM 0 H LEU A 40 5.129 0.233 -0.526 1.00 0.00 H new ATOM 0 HA LEU A 40 3.035 2.288 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.465 2.489 0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.072 3.552 0.684 1.00 0.00 H new ATOM 0 HG LEU A 40 2.989 0.948 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.192 0.132 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.267 0.166 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.385 1.441 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.372 1.832 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.568 3.137 3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.150 3.071 1.997 1.00 0.00 H new ATOM 566 N LYS A 41 5.020 4.084 -1.818 1.00 0.00 N ATOM 567 CA LYS A 41 5.899 4.847 -2.748 1.00 0.00 C ATOM 568 C LYS A 41 6.828 5.755 -1.940 1.00 0.00 C ATOM 569 O LYS A 41 6.535 6.118 -0.819 1.00 0.00 O ATOM 570 CB LYS A 41 5.037 5.698 -3.682 1.00 0.00 C ATOM 571 CG LYS A 41 5.924 6.347 -4.747 1.00 0.00 C ATOM 572 CD LYS A 41 6.155 7.818 -4.392 1.00 0.00 C ATOM 573 CE LYS A 41 6.752 8.546 -5.598 1.00 0.00 C ATOM 574 NZ LYS A 41 6.024 9.828 -5.815 1.00 0.00 N ATOM 0 H LYS A 41 4.467 4.654 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 41 6.495 4.151 -3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.276 5.079 -4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.514 6.466 -3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.878 5.823 -4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.452 6.268 -5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.214 8.285 -4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.827 7.896 -3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.811 8.741 -5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.680 7.919 -6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.164 10.145 -6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.009 9.685 -5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.390 10.550 -5.162 1.00 0.00 H new ATOM 588 N TRP A 42 7.947 6.125 -2.502 1.00 0.00 N ATOM 589 CA TRP A 42 8.893 7.009 -1.766 1.00 0.00 C ATOM 590 C TRP A 42 8.910 8.394 -2.417 1.00 0.00 C ATOM 591 O TRP A 42 9.156 8.530 -3.598 1.00 0.00 O ATOM 592 CB TRP A 42 10.300 6.408 -1.820 1.00 0.00 C ATOM 593 CG TRP A 42 10.449 5.389 -0.738 1.00 0.00 C ATOM 594 CD1 TRP A 42 10.775 4.091 -0.934 1.00 0.00 C ATOM 595 CD2 TRP A 42 10.286 5.559 0.699 1.00 0.00 C ATOM 596 NE1 TRP A 42 10.821 3.452 0.293 1.00 0.00 N ATOM 597 CE2 TRP A 42 10.527 4.315 1.330 1.00 0.00 C ATOM 598 CE3 TRP A 42 9.954 6.662 1.508 1.00 0.00 C ATOM 599 CZ2 TRP A 42 10.444 4.171 2.715 1.00 0.00 C ATOM 600 CZ3 TRP A 42 9.869 6.520 2.904 1.00 0.00 C ATOM 601 CH2 TRP A 42 10.114 5.276 3.505 1.00 0.00 C ATOM 0 H TRP A 42 8.246 5.853 -3.438 1.00 0.00 H new ATOM 0 HA TRP A 42 8.572 7.097 -0.728 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.473 5.949 -2.793 1.00 0.00 H new ATOM 0 HB3 TRP A 42 11.047 7.193 -1.700 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.968 3.629 -1.891 1.00 0.00 H new ATOM 0 HE1 TRP A 42 11.045 2.464 0.416 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.763 7.623 1.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.633 3.212 3.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 9.614 7.372 3.517 1.00 0.00 H new ATOM 0 HH2 TRP A 42 10.048 5.172 4.578 1.00 0.00 H new ATOM 612 N LYS A 43 8.656 9.424 -1.656 1.00 0.00 N ATOM 613 CA LYS A 43 8.665 10.795 -2.241 1.00 0.00 C ATOM 614 C LYS A 43 9.923 11.532 -1.779 1.00 0.00 C ATOM 615 O LYS A 43 9.902 12.279 -0.821 1.00 0.00 O ATOM 616 CB LYS A 43 7.423 11.564 -1.785 1.00 0.00 C ATOM 617 CG LYS A 43 7.390 11.627 -0.258 1.00 0.00 C ATOM 618 CD LYS A 43 5.982 11.291 0.235 1.00 0.00 C ATOM 619 CE LYS A 43 4.979 12.272 -0.375 1.00 0.00 C ATOM 620 NZ LYS A 43 5.569 13.640 -0.391 1.00 0.00 N ATOM 0 H LYS A 43 8.444 9.376 -0.659 1.00 0.00 H new ATOM 0 HA LYS A 43 8.660 10.724 -3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.434 12.572 -2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.523 11.075 -2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.111 10.925 0.161 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.678 12.622 0.082 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.722 10.269 -0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.944 11.345 1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.722 11.963 -1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.055 12.270 0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.807 14.347 -0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.177 13.766 0.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.136 13.763 -1.254 1.00 0.00 H new ATOM 634 N GLY A 44 11.021 11.326 -2.455 1.00 0.00 N ATOM 635 CA GLY A 44 12.282 12.012 -2.055 1.00 0.00 C ATOM 636 C GLY A 44 13.483 11.179 -2.510 1.00 0.00 C ATOM 637 O GLY A 44 14.590 11.669 -2.605 1.00 0.00 O ATOM 0 H GLY A 44 11.099 10.713 -3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.325 13.006 -2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.308 12.147 -0.974 1.00 0.00 H new ATOM 641 N PHE A 45 13.273 9.921 -2.792 1.00 0.00 N ATOM 642 CA PHE A 45 14.404 9.060 -3.240 1.00 0.00 C ATOM 643 C PHE A 45 14.377 8.930 -4.765 1.00 0.00 C ATOM 644 O PHE A 45 15.295 9.338 -5.449 1.00 0.00 O ATOM 645 CB PHE A 45 14.269 7.673 -2.608 1.00 0.00 C ATOM 646 CG PHE A 45 15.055 7.628 -1.320 1.00 0.00 C ATOM 647 CD1 PHE A 45 15.052 8.732 -0.458 1.00 0.00 C ATOM 648 CD2 PHE A 45 15.789 6.482 -0.987 1.00 0.00 C ATOM 649 CE1 PHE A 45 15.782 8.691 0.737 1.00 0.00 C ATOM 650 CE2 PHE A 45 16.519 6.441 0.208 1.00 0.00 C ATOM 651 CZ PHE A 45 16.515 7.544 1.071 1.00 0.00 C ATOM 0 H PHE A 45 12.368 9.454 -2.731 1.00 0.00 H new ATOM 0 HA PHE A 45 15.347 9.511 -2.932 1.00 0.00 H new ATOM 0 HB2 PHE A 45 13.220 7.451 -2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 45 14.634 6.911 -3.296 1.00 0.00 H new ATOM 0 HD1 PHE A 45 14.486 9.616 -0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 45 15.792 5.630 -1.651 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.780 9.543 1.401 1.00 0.00 H new ATOM 0 HE2 PHE A 45 17.085 5.558 0.464 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.076 7.511 1.993 1.00 0.00 H new ATOM 661 N SER A 46 13.331 8.364 -5.304 1.00 0.00 N ATOM 662 CA SER A 46 13.249 8.207 -6.784 1.00 0.00 C ATOM 663 C SER A 46 11.797 8.374 -7.235 1.00 0.00 C ATOM 664 O SER A 46 11.408 9.406 -7.745 1.00 0.00 O ATOM 665 CB SER A 46 13.747 6.817 -7.178 1.00 0.00 C ATOM 666 OG SER A 46 13.767 5.983 -6.026 1.00 0.00 O ATOM 0 H SER A 46 12.531 8.004 -4.784 1.00 0.00 H new ATOM 0 HA SER A 46 13.869 8.965 -7.264 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.098 6.388 -7.941 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.745 6.884 -7.610 1.00 0.00 H new ATOM 0 HG SER A 46 14.477 5.314 -6.119 1.00 0.00 H new ATOM 672 N ASP A 47 10.990 7.364 -7.051 1.00 0.00 N ATOM 673 CA ASP A 47 9.564 7.463 -7.470 1.00 0.00 C ATOM 674 C ASP A 47 8.850 6.145 -7.164 1.00 0.00 C ATOM 675 O ASP A 47 7.690 6.124 -6.806 1.00 0.00 O ATOM 676 CB ASP A 47 9.492 7.745 -8.973 1.00 0.00 C ATOM 677 CG ASP A 47 8.036 7.685 -9.436 1.00 0.00 C ATOM 678 OD1 ASP A 47 7.166 7.610 -8.583 1.00 0.00 O ATOM 679 OD2 ASP A 47 7.814 7.716 -10.635 1.00 0.00 O ATOM 0 H ASP A 47 11.257 6.475 -6.629 1.00 0.00 H new ATOM 0 HA ASP A 47 9.081 8.274 -6.925 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.913 8.727 -9.190 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.089 7.015 -9.519 1.00 0.00 H new ATOM 684 N GLU A 48 9.537 5.044 -7.300 1.00 0.00 N ATOM 685 CA GLU A 48 8.900 3.728 -7.016 1.00 0.00 C ATOM 686 C GLU A 48 9.949 2.766 -6.451 1.00 0.00 C ATOM 687 O GLU A 48 10.123 1.667 -6.938 1.00 0.00 O ATOM 688 CB GLU A 48 8.321 3.150 -8.308 1.00 0.00 C ATOM 689 CG GLU A 48 9.434 3.010 -9.349 1.00 0.00 C ATOM 690 CD GLU A 48 8.817 2.846 -10.738 1.00 0.00 C ATOM 691 OE1 GLU A 48 7.609 2.688 -10.814 1.00 0.00 O ATOM 692 OE2 GLU A 48 9.561 2.882 -11.705 1.00 0.00 O ATOM 0 H GLU A 48 10.512 4.999 -7.596 1.00 0.00 H new ATOM 0 HA GLU A 48 8.099 3.862 -6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.867 2.178 -8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.533 3.800 -8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.079 3.889 -9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.060 2.149 -9.114 1.00 0.00 H new ATOM 699 N ASP A 49 10.648 3.174 -5.429 1.00 0.00 N ATOM 700 CA ASP A 49 11.687 2.285 -4.834 1.00 0.00 C ATOM 701 C ASP A 49 11.239 1.839 -3.440 1.00 0.00 C ATOM 702 O ASP A 49 12.044 1.462 -2.611 1.00 0.00 O ATOM 703 CB ASP A 49 13.009 3.049 -4.727 1.00 0.00 C ATOM 704 CG ASP A 49 14.165 2.056 -4.595 1.00 0.00 C ATOM 705 OD1 ASP A 49 14.393 1.588 -3.491 1.00 0.00 O ATOM 706 OD2 ASP A 49 14.800 1.781 -5.598 1.00 0.00 O ATOM 0 H ASP A 49 10.546 4.084 -4.979 1.00 0.00 H new ATOM 0 HA ASP A 49 11.824 1.409 -5.468 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.152 3.674 -5.608 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.987 3.715 -3.864 1.00 0.00 H new ATOM 711 N ASN A 50 9.961 1.878 -3.175 1.00 0.00 N ATOM 712 CA ASN A 50 9.465 1.455 -1.835 1.00 0.00 C ATOM 713 C ASN A 50 9.451 -0.072 -1.755 1.00 0.00 C ATOM 714 O ASN A 50 9.852 -0.756 -2.675 1.00 0.00 O ATOM 715 CB ASN A 50 8.046 1.989 -1.624 1.00 0.00 C ATOM 716 CG ASN A 50 7.976 2.745 -0.296 1.00 0.00 C ATOM 717 OD1 ASN A 50 8.244 3.929 -0.243 1.00 0.00 O ATOM 718 ND2 ASN A 50 7.624 2.107 0.786 1.00 0.00 N ATOM 0 H ASN A 50 9.240 2.184 -3.828 1.00 0.00 H new ATOM 0 HA ASN A 50 10.122 1.854 -1.062 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.769 2.650 -2.446 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.333 1.165 -1.623 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.574 2.602 1.676 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.399 1.113 0.742 1.00 0.00 H new ATOM 725 N THR A 51 8.991 -0.614 -0.659 1.00 0.00 N ATOM 726 CA THR A 51 8.951 -2.097 -0.520 1.00 0.00 C ATOM 727 C THR A 51 7.565 -2.527 -0.029 1.00 0.00 C ATOM 728 O THR A 51 6.642 -1.736 0.021 1.00 0.00 O ATOM 729 CB THR A 51 10.018 -2.542 0.486 1.00 0.00 C ATOM 730 OG1 THR A 51 10.217 -3.945 0.374 1.00 0.00 O ATOM 731 CG2 THR A 51 9.563 -2.202 1.907 1.00 0.00 C ATOM 0 H THR A 51 8.641 -0.093 0.145 1.00 0.00 H new ATOM 0 HA THR A 51 9.150 -2.561 -1.486 1.00 0.00 H new ATOM 0 HB THR A 51 10.953 -2.023 0.274 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.900 -4.231 1.016 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.325 -2.520 2.619 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.413 -1.126 1.993 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.627 -2.717 2.122 1.00 0.00 H new ATOM 739 N TRP A 52 7.413 -3.771 0.334 1.00 0.00 N ATOM 740 CA TRP A 52 6.088 -4.250 0.820 1.00 0.00 C ATOM 741 C TRP A 52 6.098 -4.310 2.349 1.00 0.00 C ATOM 742 O TRP A 52 6.912 -4.983 2.949 1.00 0.00 O ATOM 743 CB TRP A 52 5.812 -5.645 0.257 1.00 0.00 C ATOM 744 CG TRP A 52 6.017 -5.634 -1.224 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.220 -5.600 -1.844 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.015 -5.657 -2.282 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.018 -5.601 -3.209 1.00 0.00 N ATOM 748 CE2 TRP A 52 5.683 -5.636 -3.527 1.00 0.00 C ATOM 749 CE3 TRP A 52 3.607 -5.696 -2.284 1.00 0.00 C ATOM 750 CZ2 TRP A 52 4.991 -5.651 -4.729 1.00 0.00 C ATOM 751 CZ3 TRP A 52 2.899 -5.711 -3.500 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.592 -5.688 -4.722 1.00 0.00 C ATOM 0 H TRP A 52 8.149 -4.477 0.315 1.00 0.00 H new ATOM 0 HA TRP A 52 5.309 -3.564 0.488 1.00 0.00 H new ATOM 0 HB2 TRP A 52 6.476 -6.374 0.721 1.00 0.00 H new ATOM 0 HB3 TRP A 52 4.792 -5.948 0.491 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.181 -5.576 -1.351 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.770 -5.578 -3.898 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.068 -5.714 -1.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.529 -5.634 -5.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 1.819 -5.740 -3.494 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.046 -5.699 -5.654 1.00 0.00 H new ATOM 763 N GLU A 53 5.198 -3.612 2.986 1.00 0.00 N ATOM 764 CA GLU A 53 5.156 -3.632 4.475 1.00 0.00 C ATOM 765 C GLU A 53 3.965 -4.474 4.942 1.00 0.00 C ATOM 766 O GLU A 53 2.977 -4.587 4.245 1.00 0.00 O ATOM 767 CB GLU A 53 5.006 -2.201 5.001 1.00 0.00 C ATOM 768 CG GLU A 53 6.325 -1.450 4.818 1.00 0.00 C ATOM 769 CD GLU A 53 6.367 -0.250 5.767 1.00 0.00 C ATOM 770 OE1 GLU A 53 5.901 0.807 5.375 1.00 0.00 O ATOM 771 OE2 GLU A 53 6.864 -0.410 6.871 1.00 0.00 O ATOM 0 H GLU A 53 4.490 -3.029 2.539 1.00 0.00 H new ATOM 0 HA GLU A 53 6.080 -4.066 4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.206 -1.688 4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.727 -2.217 6.055 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.165 -2.115 5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.424 -1.114 3.786 1.00 0.00 H new ATOM 778 N PRO A 54 4.099 -5.043 6.114 1.00 0.00 N ATOM 779 CA PRO A 54 3.051 -5.888 6.710 1.00 0.00 C ATOM 780 C PRO A 54 1.938 -5.018 7.305 1.00 0.00 C ATOM 781 O PRO A 54 2.181 -4.164 8.135 1.00 0.00 O ATOM 782 CB PRO A 54 3.790 -6.654 7.811 1.00 0.00 C ATOM 783 CG PRO A 54 5.043 -5.814 8.160 1.00 0.00 C ATOM 784 CD PRO A 54 5.308 -4.897 6.950 1.00 0.00 C ATOM 0 HA PRO A 54 2.569 -6.547 5.988 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.154 -6.786 8.687 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.072 -7.650 7.469 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.877 -5.226 9.063 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.900 -6.459 8.353 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.456 -3.862 7.259 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.205 -5.200 6.410 1.00 0.00 H new ATOM 792 N GLU A 55 0.720 -5.229 6.887 1.00 0.00 N ATOM 793 CA GLU A 55 -0.404 -4.415 7.428 1.00 0.00 C ATOM 794 C GLU A 55 -0.625 -4.763 8.901 1.00 0.00 C ATOM 795 O GLU A 55 -1.375 -4.110 9.598 1.00 0.00 O ATOM 796 CB GLU A 55 -1.679 -4.715 6.636 1.00 0.00 C ATOM 797 CG GLU A 55 -1.812 -6.226 6.437 1.00 0.00 C ATOM 798 CD GLU A 55 -3.222 -6.670 6.829 1.00 0.00 C ATOM 799 OE1 GLU A 55 -4.148 -5.911 6.596 1.00 0.00 O ATOM 800 OE2 GLU A 55 -3.352 -7.763 7.358 1.00 0.00 O ATOM 0 H GLU A 55 0.455 -5.930 6.195 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.161 -3.356 7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.549 -4.329 7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.647 -4.212 5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.614 -6.485 5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.073 -6.750 7.043 1.00 0.00 H new ATOM 807 N GLU A 56 0.023 -5.789 9.381 1.00 0.00 N ATOM 808 CA GLU A 56 -0.150 -6.179 10.809 1.00 0.00 C ATOM 809 C GLU A 56 0.941 -5.520 11.655 1.00 0.00 C ATOM 810 O GLU A 56 1.286 -5.994 12.720 1.00 0.00 O ATOM 811 CB GLU A 56 -0.047 -7.700 10.940 1.00 0.00 C ATOM 812 CG GLU A 56 -1.435 -8.323 10.781 1.00 0.00 C ATOM 813 CD GLU A 56 -1.676 -9.326 11.911 1.00 0.00 C ATOM 814 OE1 GLU A 56 -1.303 -10.476 11.744 1.00 0.00 O ATOM 815 OE2 GLU A 56 -2.229 -8.928 12.922 1.00 0.00 O ATOM 0 H GLU A 56 0.665 -6.374 8.846 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.129 -5.850 11.158 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.629 -8.096 10.182 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.372 -7.964 11.911 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.199 -7.546 10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.513 -8.822 9.815 1.00 0.00 H new ATOM 822 N ASN A 57 1.488 -4.430 11.191 1.00 0.00 N ATOM 823 CA ASN A 57 2.557 -3.743 11.970 1.00 0.00 C ATOM 824 C ASN A 57 2.589 -2.260 11.595 1.00 0.00 C ATOM 825 O ASN A 57 2.751 -1.401 12.438 1.00 0.00 O ATOM 826 CB ASN A 57 3.911 -4.379 11.649 1.00 0.00 C ATOM 827 CG ASN A 57 4.329 -5.299 12.798 1.00 0.00 C ATOM 828 OD1 ASN A 57 3.494 -5.798 13.527 1.00 0.00 O ATOM 829 ND2 ASN A 57 5.596 -5.547 12.993 1.00 0.00 N ATOM 0 H ASN A 57 1.241 -3.986 10.307 1.00 0.00 H new ATOM 0 HA ASN A 57 2.351 -3.844 13.036 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.847 -4.946 10.720 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.662 -3.604 11.498 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.884 -6.159 13.756 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.297 -5.129 12.382 1.00 0.00 H new ATOM 836 N LEU A 58 2.434 -1.953 10.336 1.00 0.00 N ATOM 837 CA LEU A 58 2.455 -0.524 9.912 1.00 0.00 C ATOM 838 C LEU A 58 1.406 0.258 10.706 1.00 0.00 C ATOM 839 O LEU A 58 0.690 -0.295 11.517 1.00 0.00 O ATOM 840 CB LEU A 58 2.138 -0.432 8.417 1.00 0.00 C ATOM 841 CG LEU A 58 3.439 -0.304 7.625 1.00 0.00 C ATOM 842 CD1 LEU A 58 3.141 -0.428 6.130 1.00 0.00 C ATOM 843 CD2 LEU A 58 4.073 1.061 7.905 1.00 0.00 C ATOM 0 H LEU A 58 2.294 -2.628 9.584 1.00 0.00 H new ATOM 0 HA LEU A 58 3.442 -0.102 10.101 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.590 -1.318 8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.496 0.427 8.223 1.00 0.00 H new ATOM 0 HG LEU A 58 4.126 -1.095 7.926 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.069 -0.337 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.688 -1.399 5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.454 0.363 5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.001 1.154 7.341 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.385 1.851 7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.285 1.152 8.970 1.00 0.00 H new ATOM 855 N ASP A 59 1.308 1.539 10.478 1.00 0.00 N ATOM 856 CA ASP A 59 0.304 2.351 11.223 1.00 0.00 C ATOM 857 C ASP A 59 -0.416 3.288 10.251 1.00 0.00 C ATOM 858 O ASP A 59 -0.648 4.444 10.545 1.00 0.00 O ATOM 859 CB ASP A 59 1.012 3.177 12.299 1.00 0.00 C ATOM 860 CG ASP A 59 -0.009 3.637 13.341 1.00 0.00 C ATOM 861 OD1 ASP A 59 -0.984 2.930 13.540 1.00 0.00 O ATOM 862 OD2 ASP A 59 0.201 4.688 13.924 1.00 0.00 O ATOM 0 H ASP A 59 1.878 2.058 9.810 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.422 1.688 11.694 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.791 2.582 12.775 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.501 4.040 11.847 1.00 0.00 H new ATOM 867 N CYS A 60 -0.775 2.799 9.095 1.00 0.00 N ATOM 868 CA CYS A 60 -1.480 3.664 8.108 1.00 0.00 C ATOM 869 C CYS A 60 -2.691 2.912 7.547 1.00 0.00 C ATOM 870 O CYS A 60 -2.613 2.310 6.494 1.00 0.00 O ATOM 871 CB CYS A 60 -0.526 4.018 6.965 1.00 0.00 C ATOM 872 SG CYS A 60 1.119 4.363 7.637 1.00 0.00 S ATOM 0 H CYS A 60 -0.611 1.839 8.792 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.813 4.579 8.598 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.474 3.195 6.252 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.898 4.887 6.422 1.00 0.00 H new ATOM 0 HG CYS A 60 1.930 4.662 6.666 1.00 0.00 H new ATOM 878 N PRO A 61 -3.779 2.972 8.273 1.00 0.00 N ATOM 879 CA PRO A 61 -5.032 2.307 7.881 1.00 0.00 C ATOM 880 C PRO A 61 -5.752 3.120 6.800 1.00 0.00 C ATOM 881 O PRO A 61 -6.782 2.722 6.294 1.00 0.00 O ATOM 882 CB PRO A 61 -5.844 2.278 9.179 1.00 0.00 C ATOM 883 CG PRO A 61 -5.276 3.407 10.073 1.00 0.00 C ATOM 884 CD PRO A 61 -3.858 3.710 9.550 1.00 0.00 C ATOM 0 HA PRO A 61 -4.879 1.313 7.460 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.903 2.437 8.978 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.755 1.310 9.672 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.906 4.295 10.023 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.246 3.096 11.117 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.708 4.779 9.402 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.094 3.375 10.252 1.00 0.00 H new ATOM 892 N ASP A 62 -5.215 4.254 6.443 1.00 0.00 N ATOM 893 CA ASP A 62 -5.867 5.089 5.396 1.00 0.00 C ATOM 894 C ASP A 62 -5.331 4.685 4.022 1.00 0.00 C ATOM 895 O ASP A 62 -6.056 4.647 3.047 1.00 0.00 O ATOM 896 CB ASP A 62 -5.557 6.565 5.651 1.00 0.00 C ATOM 897 CG ASP A 62 -6.601 7.435 4.949 1.00 0.00 C ATOM 898 OD1 ASP A 62 -6.531 7.549 3.737 1.00 0.00 O ATOM 899 OD2 ASP A 62 -7.455 7.972 5.636 1.00 0.00 O ATOM 0 H ASP A 62 -4.353 4.638 6.831 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.946 4.936 5.427 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.560 6.768 6.722 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.560 6.807 5.283 1.00 0.00 H new ATOM 904 N LEU A 63 -4.065 4.375 3.937 1.00 0.00 N ATOM 905 CA LEU A 63 -3.490 3.969 2.629 1.00 0.00 C ATOM 906 C LEU A 63 -3.856 2.511 2.361 1.00 0.00 C ATOM 907 O LEU A 63 -4.049 2.105 1.233 1.00 0.00 O ATOM 908 CB LEU A 63 -1.969 4.118 2.670 1.00 0.00 C ATOM 909 CG LEU A 63 -1.597 5.599 2.589 1.00 0.00 C ATOM 910 CD1 LEU A 63 -0.102 5.768 2.861 1.00 0.00 C ATOM 911 CD2 LEU A 63 -1.922 6.131 1.191 1.00 0.00 C ATOM 0 H LEU A 63 -3.408 4.386 4.717 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.889 4.602 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.575 3.683 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.518 3.573 1.841 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.167 6.156 3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.161 6.824 2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.132 5.390 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.468 5.210 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.657 7.187 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.353 5.572 0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.988 6.013 0.996 1.00 0.00 H new ATOM 923 N ILE A 64 -3.958 1.721 3.394 1.00 0.00 N ATOM 924 CA ILE A 64 -4.319 0.293 3.203 1.00 0.00 C ATOM 925 C ILE A 64 -5.792 0.201 2.802 1.00 0.00 C ATOM 926 O ILE A 64 -6.169 -0.586 1.958 1.00 0.00 O ATOM 927 CB ILE A 64 -4.092 -0.473 4.506 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.594 -0.520 4.814 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.627 -1.899 4.361 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.386 -0.786 6.306 1.00 0.00 C ATOM 0 H ILE A 64 -3.806 2.005 4.362 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.697 -0.142 2.421 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.616 0.030 5.319 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.115 -1.302 4.225 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.125 0.423 4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.465 -2.445 5.290 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.694 -1.867 4.141 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.104 -2.403 3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.319 -0.819 6.524 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.850 0.012 6.886 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.841 -1.740 6.572 1.00 0.00 H new ATOM 942 N ALA A 65 -6.627 1.007 3.400 1.00 0.00 N ATOM 943 CA ALA A 65 -8.075 0.974 3.053 1.00 0.00 C ATOM 944 C ALA A 65 -8.349 1.954 1.910 1.00 0.00 C ATOM 945 O ALA A 65 -9.470 2.112 1.471 1.00 0.00 O ATOM 946 CB ALA A 65 -8.903 1.373 4.276 1.00 0.00 C ATOM 0 H ALA A 65 -6.368 1.687 4.114 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.350 -0.034 2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.963 1.349 4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.709 0.675 5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.628 2.380 4.589 1.00 0.00 H new ATOM 952 N GLU A 66 -7.331 2.612 1.420 1.00 0.00 N ATOM 953 CA GLU A 66 -7.538 3.577 0.305 1.00 0.00 C ATOM 954 C GLU A 66 -7.097 2.930 -1.009 1.00 0.00 C ATOM 955 O GLU A 66 -7.610 3.235 -2.067 1.00 0.00 O ATOM 956 CB GLU A 66 -6.707 4.838 0.558 1.00 0.00 C ATOM 957 CG GLU A 66 -6.690 5.700 -0.706 1.00 0.00 C ATOM 958 CD GLU A 66 -6.253 7.122 -0.349 1.00 0.00 C ATOM 959 OE1 GLU A 66 -5.068 7.322 -0.140 1.00 0.00 O ATOM 960 OE2 GLU A 66 -7.112 7.986 -0.290 1.00 0.00 O ATOM 0 H GLU A 66 -6.368 2.522 1.744 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.593 3.846 0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.127 5.402 1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.690 4.566 0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.008 5.273 -1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.680 5.716 -1.161 1.00 0.00 H new ATOM 967 N PHE A 67 -6.148 2.035 -0.949 1.00 0.00 N ATOM 968 CA PHE A 67 -5.676 1.367 -2.193 1.00 0.00 C ATOM 969 C PHE A 67 -6.460 0.070 -2.402 1.00 0.00 C ATOM 970 O PHE A 67 -6.506 -0.469 -3.490 1.00 0.00 O ATOM 971 CB PHE A 67 -4.185 1.045 -2.065 1.00 0.00 C ATOM 972 CG PHE A 67 -3.767 0.135 -3.196 1.00 0.00 C ATOM 973 CD1 PHE A 67 -3.871 -1.255 -3.049 1.00 0.00 C ATOM 974 CD2 PHE A 67 -3.279 0.679 -4.391 1.00 0.00 C ATOM 975 CE1 PHE A 67 -3.485 -2.101 -4.098 1.00 0.00 C ATOM 976 CE2 PHE A 67 -2.892 -0.167 -5.439 1.00 0.00 C ATOM 977 CZ PHE A 67 -2.995 -1.556 -5.292 1.00 0.00 C ATOM 0 H PHE A 67 -5.680 1.739 -0.092 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.833 2.030 -3.044 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.600 1.965 -2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.987 0.566 -1.106 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.248 -1.674 -2.128 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.201 1.750 -4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.565 -3.172 -3.986 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.514 0.252 -6.360 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.696 -2.208 -6.100 1.00 0.00 H new ATOM 987 N LEU A 68 -7.078 -0.437 -1.369 1.00 0.00 N ATOM 988 CA LEU A 68 -7.856 -1.699 -1.518 1.00 0.00 C ATOM 989 C LEU A 68 -9.286 -1.367 -1.953 1.00 0.00 C ATOM 990 O LEU A 68 -9.959 -2.168 -2.571 1.00 0.00 O ATOM 991 CB LEU A 68 -7.865 -2.458 -0.180 1.00 0.00 C ATOM 992 CG LEU A 68 -8.956 -1.907 0.746 1.00 0.00 C ATOM 993 CD1 LEU A 68 -10.308 -2.520 0.374 1.00 0.00 C ATOM 994 CD2 LEU A 68 -8.621 -2.273 2.194 1.00 0.00 C ATOM 0 H LEU A 68 -7.078 -0.033 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.394 -2.330 -2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.035 -3.520 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.892 -2.368 0.302 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.007 -0.823 0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.080 -2.126 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.550 -2.268 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.258 -3.604 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.394 -1.883 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.571 -3.357 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.658 -1.839 2.466 1.00 0.00 H new ATOM 1006 N GLN A 69 -9.756 -0.191 -1.635 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.139 0.189 -2.032 1.00 0.00 C ATOM 1008 C GLN A 69 -11.153 0.589 -3.508 1.00 0.00 C ATOM 1009 O GLN A 69 -12.104 0.336 -4.222 1.00 0.00 O ATOM 1010 CB GLN A 69 -11.610 1.370 -1.179 1.00 0.00 C ATOM 1011 CG GLN A 69 -12.991 1.060 -0.596 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.506 2.278 0.174 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -13.804 2.186 1.349 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -13.623 3.423 -0.442 1.00 0.00 N ATOM 0 H GLN A 69 -9.241 0.522 -1.118 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.807 -0.659 -1.878 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -10.898 1.559 -0.375 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.654 2.275 -1.785 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.685 0.802 -1.396 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -12.932 0.196 0.066 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.373 3.500 -1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.965 4.241 0.063 1.00 0.00 H new ATOM 1023 N SER A 70 -10.104 1.209 -3.975 1.00 0.00 N ATOM 1024 CA SER A 70 -10.058 1.619 -5.406 1.00 0.00 C ATOM 1025 C SER A 70 -10.227 0.384 -6.292 1.00 0.00 C ATOM 1026 O SER A 70 -10.696 0.468 -7.409 1.00 0.00 O ATOM 1027 CB SER A 70 -8.713 2.282 -5.706 1.00 0.00 C ATOM 1028 OG SER A 70 -7.665 1.367 -5.418 1.00 0.00 O ATOM 0 H SER A 70 -9.278 1.449 -3.427 1.00 0.00 H new ATOM 0 HA SER A 70 -10.862 2.326 -5.608 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.669 2.586 -6.752 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.598 3.185 -5.107 1.00 0.00 H new ATOM 0 HG SER A 70 -6.801 1.788 -5.611 1.00 0.00 H new ATOM 1034 N GLN A 71 -9.853 -0.765 -5.800 1.00 0.00 N ATOM 1035 CA GLN A 71 -9.996 -2.004 -6.612 1.00 0.00 C ATOM 1036 C GLN A 71 -11.458 -2.172 -7.023 1.00 0.00 C ATOM 1037 O GLN A 71 -11.764 -2.592 -8.120 1.00 0.00 O ATOM 1038 CB GLN A 71 -9.555 -3.213 -5.784 1.00 0.00 C ATOM 1039 CG GLN A 71 -8.146 -2.972 -5.239 1.00 0.00 C ATOM 1040 CD GLN A 71 -7.259 -4.176 -5.564 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -7.481 -4.862 -6.541 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -6.258 -4.463 -4.779 1.00 0.00 N ATOM 0 H GLN A 71 -9.455 -0.898 -4.871 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.372 -1.930 -7.503 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.251 -3.377 -4.962 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.570 -4.113 -6.399 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.725 -2.068 -5.678 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.184 -2.815 -4.161 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.072 -3.886 -3.958 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.661 -5.264 -4.986 1.00 0.00 H new ATOM 1051 N LYS A 72 -12.366 -1.839 -6.147 1.00 0.00 N ATOM 1052 CA LYS A 72 -13.811 -1.972 -6.485 1.00 0.00 C ATOM 1053 C LYS A 72 -14.269 -0.715 -7.228 1.00 0.00 C ATOM 1054 O LYS A 72 -15.313 -0.693 -7.847 1.00 0.00 O ATOM 1055 CB LYS A 72 -14.624 -2.132 -5.198 1.00 0.00 C ATOM 1056 CG LYS A 72 -14.087 -3.319 -4.397 1.00 0.00 C ATOM 1057 CD LYS A 72 -15.255 -4.186 -3.922 1.00 0.00 C ATOM 1058 CE LYS A 72 -14.732 -5.559 -3.497 1.00 0.00 C ATOM 1059 NZ LYS A 72 -14.985 -6.545 -4.586 1.00 0.00 N ATOM 0 H LYS A 72 -12.170 -1.481 -5.212 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.962 -2.847 -7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.564 -1.221 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.676 -2.288 -5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.409 -3.910 -5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.513 -2.964 -3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.763 -3.704 -3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.989 -4.296 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.665 -5.503 -3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.225 -5.880 -2.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.630 -7.479 -4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.007 -6.605 -4.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.495 -6.240 -5.451 1.00 0.00 H new ATOM 1073 N THR A 73 -13.491 0.332 -7.169 1.00 0.00 N ATOM 1074 CA THR A 73 -13.876 1.588 -7.872 1.00 0.00 C ATOM 1075 C THR A 73 -12.812 1.934 -8.917 1.00 0.00 C ATOM 1076 O THR A 73 -12.500 3.087 -9.139 1.00 0.00 O ATOM 1077 CB THR A 73 -13.982 2.728 -6.855 1.00 0.00 C ATOM 1078 OG1 THR A 73 -14.581 2.242 -5.662 1.00 0.00 O ATOM 1079 CG2 THR A 73 -14.837 3.855 -7.436 1.00 0.00 C ATOM 0 H THR A 73 -12.606 0.371 -6.664 1.00 0.00 H new ATOM 0 HA THR A 73 -14.838 1.449 -8.365 1.00 0.00 H new ATOM 0 HB THR A 73 -12.986 3.110 -6.632 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.648 2.970 -5.009 1.00 0.00 H new ATOM 0 HG21 THR A 73 -14.912 4.666 -6.711 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.376 4.227 -8.351 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.834 3.476 -7.661 1.00 0.00 H new ATOM 1087 N ALA A 74 -12.253 0.945 -9.559 1.00 0.00 N ATOM 1088 CA ALA A 74 -11.211 1.220 -10.588 1.00 0.00 C ATOM 1089 C ALA A 74 -11.805 1.016 -11.983 1.00 0.00 C ATOM 1090 O ALA A 74 -11.482 1.725 -12.915 1.00 0.00 O ATOM 1091 CB ALA A 74 -10.034 0.262 -10.390 1.00 0.00 C ATOM 0 H ALA A 74 -12.473 -0.041 -9.416 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.864 2.248 -10.488 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.271 0.462 -11.142 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.610 0.407 -9.396 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.381 -0.766 -10.490 1.00 0.00 H new ATOM 1097 N HIS A 75 -12.672 0.052 -12.133 1.00 0.00 N ATOM 1098 CA HIS A 75 -13.285 -0.197 -13.468 1.00 0.00 C ATOM 1099 C HIS A 75 -14.473 0.747 -13.669 1.00 0.00 C ATOM 1100 O HIS A 75 -15.234 0.611 -14.606 1.00 0.00 O ATOM 1101 CB HIS A 75 -13.767 -1.647 -13.545 1.00 0.00 C ATOM 1102 CG HIS A 75 -12.595 -2.551 -13.813 1.00 0.00 C ATOM 1103 ND1 HIS A 75 -11.790 -3.039 -12.797 1.00 0.00 N ATOM 1104 CD2 HIS A 75 -12.081 -3.063 -14.979 1.00 0.00 C ATOM 1105 CE1 HIS A 75 -10.843 -3.809 -13.364 1.00 0.00 C ATOM 1106 NE2 HIS A 75 -10.974 -3.858 -14.692 1.00 0.00 N ATOM 0 H HIS A 75 -12.982 -0.573 -11.389 1.00 0.00 H new ATOM 0 HA HIS A 75 -12.544 -0.018 -14.247 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -14.252 -1.930 -12.611 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -14.510 -1.753 -14.335 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -12.475 -2.878 -15.967 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.071 -4.325 -12.812 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -10.389 -4.368 -15.354 1.00 0.00 H new ATOM 1114 N GLU A 76 -14.637 1.702 -12.796 1.00 0.00 N ATOM 1115 CA GLU A 76 -15.776 2.654 -12.937 1.00 0.00 C ATOM 1116 C GLU A 76 -15.285 3.940 -13.604 1.00 0.00 C ATOM 1117 O GLU A 76 -15.643 5.031 -13.208 1.00 0.00 O ATOM 1118 CB GLU A 76 -16.343 2.978 -11.554 1.00 0.00 C ATOM 1119 CG GLU A 76 -17.872 2.935 -11.606 1.00 0.00 C ATOM 1120 CD GLU A 76 -18.421 4.362 -11.642 1.00 0.00 C ATOM 1121 OE1 GLU A 76 -18.512 4.914 -12.727 1.00 0.00 O ATOM 1122 OE2 GLU A 76 -18.743 4.879 -10.585 1.00 0.00 O ATOM 0 H GLU A 76 -14.032 1.865 -11.991 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.555 2.202 -13.551 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.973 2.261 -10.821 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.007 3.964 -11.233 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.201 2.385 -12.488 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.261 2.406 -10.736 1.00 0.00 H new ATOM 1129 N THR A 77 -14.465 3.821 -14.611 1.00 0.00 N ATOM 1130 CA THR A 77 -13.951 5.037 -15.301 1.00 0.00 C ATOM 1131 C THR A 77 -13.126 4.622 -16.521 1.00 0.00 C ATOM 1132 O THR A 77 -11.994 5.030 -16.686 1.00 0.00 O ATOM 1133 CB THR A 77 -13.068 5.835 -14.338 1.00 0.00 C ATOM 1134 OG1 THR A 77 -12.383 6.851 -15.058 1.00 0.00 O ATOM 1135 CG2 THR A 77 -12.053 4.899 -13.681 1.00 0.00 C ATOM 0 H THR A 77 -14.129 2.934 -14.986 1.00 0.00 H new ATOM 0 HA THR A 77 -14.790 5.654 -15.622 1.00 0.00 H new ATOM 0 HB THR A 77 -13.689 6.292 -13.567 1.00 0.00 H new ATOM 0 HG1 THR A 77 -11.746 6.439 -15.679 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.424 5.467 -12.995 1.00 0.00 H new ATOM 0 HG22 THR A 77 -12.580 4.120 -13.129 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.430 4.441 -14.449 1.00 0.00 H new ATOM 1143 N ASP A 78 -13.685 3.811 -17.378 1.00 0.00 N ATOM 1144 CA ASP A 78 -12.932 3.371 -18.586 1.00 0.00 C ATOM 1145 C ASP A 78 -13.906 2.771 -19.603 1.00 0.00 C ATOM 1146 O ASP A 78 -14.240 1.605 -19.545 1.00 0.00 O ATOM 1147 CB ASP A 78 -11.900 2.315 -18.187 1.00 0.00 C ATOM 1148 CG ASP A 78 -11.299 1.686 -19.445 1.00 0.00 C ATOM 1149 OD1 ASP A 78 -11.058 2.418 -20.392 1.00 0.00 O ATOM 1150 OD2 ASP A 78 -11.089 0.485 -19.442 1.00 0.00 O ATOM 0 H ASP A 78 -14.629 3.435 -17.294 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.424 4.227 -19.029 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.114 2.769 -17.584 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.369 1.547 -17.572 1.00 0.00 H new ATOM 1155 N LYS A 79 -14.365 3.561 -20.536 1.00 0.00 N ATOM 1156 CA LYS A 79 -15.316 3.036 -21.555 1.00 0.00 C ATOM 1157 C LYS A 79 -14.602 2.909 -22.902 1.00 0.00 C ATOM 1158 O LYS A 79 -14.281 1.826 -23.346 1.00 0.00 O ATOM 1159 CB LYS A 79 -16.498 3.998 -21.693 1.00 0.00 C ATOM 1160 CG LYS A 79 -17.431 3.837 -20.492 1.00 0.00 C ATOM 1161 CD LYS A 79 -18.801 3.352 -20.970 1.00 0.00 C ATOM 1162 CE LYS A 79 -19.626 2.885 -19.770 1.00 0.00 C ATOM 1163 NZ LYS A 79 -20.992 3.479 -19.844 1.00 0.00 N ATOM 0 H LYS A 79 -14.122 4.547 -20.636 1.00 0.00 H new ATOM 0 HA LYS A 79 -15.679 2.057 -21.243 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -16.139 5.025 -21.753 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -17.039 3.795 -22.617 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -17.009 3.125 -19.783 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -17.533 4.787 -19.967 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -19.321 4.156 -21.491 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -18.681 2.535 -21.682 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -19.691 1.797 -19.761 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -19.138 3.183 -18.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -21.553 3.162 -19.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -20.921 4.516 -19.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -21.456 3.174 -20.723 1.00 0.00 H new ATOM 1177 N SER A 80 -14.351 4.011 -23.555 1.00 0.00 N ATOM 1178 CA SER A 80 -13.659 3.953 -24.874 1.00 0.00 C ATOM 1179 C SER A 80 -14.418 3.007 -25.807 1.00 0.00 C ATOM 1180 O SER A 80 -15.216 3.495 -26.592 1.00 0.00 O ATOM 1181 CB SER A 80 -12.232 3.439 -24.677 1.00 0.00 C ATOM 1182 OG SER A 80 -11.319 4.342 -25.288 1.00 0.00 O ATOM 1183 OXT SER A 80 -14.189 1.813 -25.722 1.00 0.00 O ATOM 0 H SER A 80 -14.595 4.948 -23.233 1.00 0.00 H new ATOM 0 HA SER A 80 -13.629 4.950 -25.314 1.00 0.00 H new ATOM 0 HB2 SER A 80 -12.011 3.344 -23.614 1.00 0.00 H new ATOM 0 HB3 SER A 80 -12.127 2.446 -25.114 1.00 0.00 H new ATOM 0 HG SER A 80 -10.403 4.016 -25.162 1.00 0.00 H new TER 1189 SER A 80