USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 525 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 GLN : amide:sc= 0.689 X(o=1.2,f=0.81) USER MOD Set 1.2: A 48 THR OG1 : rot -20:sc= 0.513 USER MOD Set 2.1: A 26 SER OG : rot 76:sc= 1.28 USER MOD Set 2.2: A 66 GLN : amide:sc= -0.151 X(o=1.1,f=0.92) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= -0.212 K(o=-0.21,f=-1.2!) USER MOD Single : A 4 MET CE :methyl -140:sc= -0.636 (180deg=-2.2!) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot -137:sc= 0.768 USER MOD Single : A 10 GLN : amide:sc= -0.508! K(o=-0.51!,f=-1.3) USER MOD Single : A 14 MET CE :methyl -140:sc= -0.393 (180deg=-1.9) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 147:sc= 0.521 USER MOD Single : A 18 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.00054) USER MOD Single : A 19 CYS SG : rot 180:sc= 0.859 USER MOD Single : A 21 ASN : amide:sc= -0.0458 K(o=-0.046,f=-1.9!) USER MOD Single : A 25 SER OG : rot -74:sc= 0.411 USER MOD Single : A 28 LYS NZ :NH3+ -171:sc=-0.00215 (180deg=-0.0879) USER MOD Single : A 31 ASN :FLIP amide:sc=-0.00777 F(o=-0.95,f=-0.0078) USER MOD Single : A 37 LYS NZ :NH3+ 171:sc=-0.00713 (180deg=-0.121) USER MOD Single : A 39 GLN : amide:sc= -0.0153 X(o=-0.015,f=-0.018) USER MOD Single : A 44 THR OG1 : rot -155:sc= 1.29 USER MOD Single : A 51 SER OG : rot -58:sc= 0.523 USER MOD Single : A 52 SER OG : rot -160:sc= -0.0107 USER MOD Single : A 55 THR OG1 : rot -68:sc= 1.25 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot -107:sc= -1.67! USER MOD Single : A 71 GLN : amide:sc= 1.01 K(o=1,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 22.099 -1.460 -1.055 1.00 0.00 N ATOM 2 CA SER A 1 21.545 -1.546 -2.422 1.00 0.00 C ATOM 3 C SER A 1 20.021 -1.533 -2.363 1.00 0.00 C ATOM 4 O SER A 1 19.378 -0.573 -2.794 1.00 0.00 O ATOM 5 CB SER A 1 22.048 -2.815 -3.125 1.00 0.00 C ATOM 6 OG SER A 1 21.611 -2.875 -4.475 1.00 0.00 O ATOM 0 H1 SER A 1 23.138 -1.469 -1.100 1.00 0.00 H new ATOM 0 H2 SER A 1 21.780 -0.578 -0.606 1.00 0.00 H new ATOM 0 H3 SER A 1 21.770 -2.272 -0.495 1.00 0.00 H new ATOM 0 HA SER A 1 21.882 -0.683 -2.997 1.00 0.00 H new ATOM 0 HB2 SER A 1 23.137 -2.841 -3.093 1.00 0.00 H new ATOM 0 HB3 SER A 1 21.692 -3.694 -2.588 1.00 0.00 H new ATOM 0 HG SER A 1 21.950 -3.694 -4.893 1.00 0.00 H new ATOM 14 N ASN A 2 19.444 -2.594 -1.816 1.00 0.00 N ATOM 15 CA ASN A 2 18.001 -2.682 -1.659 1.00 0.00 C ATOM 16 C ASN A 2 17.652 -3.374 -0.349 1.00 0.00 C ATOM 17 O ASN A 2 18.478 -4.090 0.222 1.00 0.00 O ATOM 18 CB ASN A 2 17.353 -3.412 -2.848 1.00 0.00 C ATOM 19 CG ASN A 2 17.943 -4.784 -3.135 1.00 0.00 C ATOM 20 OD1 ASN A 2 18.428 -5.481 -2.245 1.00 0.00 O ATOM 21 ND2 ASN A 2 17.894 -5.186 -4.393 1.00 0.00 N ATOM 0 H ASN A 2 19.956 -3.407 -1.473 1.00 0.00 H new ATOM 0 HA ASN A 2 17.602 -1.668 -1.635 1.00 0.00 H new ATOM 0 HB2 ASN A 2 16.286 -3.521 -2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 2 17.454 -2.792 -3.739 1.00 0.00 H new ATOM 0 HD21 ASN A 2 18.266 -6.100 -4.651 1.00 0.00 H new ATOM 0 HD22 ASN A 2 17.485 -4.582 -5.106 1.00 0.00 H new ATOM 28 N ALA A 3 16.443 -3.137 0.129 1.00 0.00 N ATOM 29 CA ALA A 3 15.974 -3.719 1.376 1.00 0.00 C ATOM 30 C ALA A 3 14.463 -3.595 1.476 1.00 0.00 C ATOM 31 O ALA A 3 13.934 -2.518 1.768 1.00 0.00 O ATOM 32 CB ALA A 3 16.637 -3.043 2.566 1.00 0.00 C ATOM 0 H ALA A 3 15.760 -2.538 -0.334 1.00 0.00 H new ATOM 0 HA ALA A 3 16.243 -4.775 1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 3 16.273 -3.493 3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 3 17.718 -3.171 2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 3 16.397 -1.980 2.561 1.00 0.00 H new ATOM 38 N MET A 4 13.765 -4.687 1.213 1.00 0.00 N ATOM 39 CA MET A 4 12.314 -4.673 1.253 1.00 0.00 C ATOM 40 C MET A 4 11.795 -4.932 2.655 1.00 0.00 C ATOM 41 O MET A 4 12.244 -5.846 3.344 1.00 0.00 O ATOM 42 CB MET A 4 11.694 -5.675 0.273 1.00 0.00 C ATOM 43 CG MET A 4 12.293 -7.069 0.331 1.00 0.00 C ATOM 44 SD MET A 4 13.722 -7.233 -0.748 1.00 0.00 S ATOM 45 CE MET A 4 12.987 -6.769 -2.314 1.00 0.00 C ATOM 0 H MET A 4 14.177 -5.588 0.971 1.00 0.00 H new ATOM 0 HA MET A 4 12.011 -3.673 0.945 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.625 -5.745 0.473 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.804 -5.288 -0.740 1.00 0.00 H new ATOM 0 HG2 MET A 4 12.585 -7.296 1.356 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.537 -7.801 0.045 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.373 -7.415 -3.103 1.00 0.00 H new ATOM 0 HE2 MET A 4 11.904 -6.877 -2.254 1.00 0.00 H new ATOM 0 HE3 MET A 4 13.237 -5.732 -2.540 1.00 0.00 H new ATOM 55 N GLU A 5 10.854 -4.101 3.063 1.00 0.00 N ATOM 56 CA GLU A 5 10.198 -4.240 4.347 1.00 0.00 C ATOM 57 C GLU A 5 8.746 -4.641 4.151 1.00 0.00 C ATOM 58 O GLU A 5 8.099 -4.204 3.198 1.00 0.00 O ATOM 59 CB GLU A 5 10.284 -2.931 5.131 1.00 0.00 C ATOM 60 CG GLU A 5 11.663 -2.668 5.702 1.00 0.00 C ATOM 61 CD GLU A 5 12.129 -3.793 6.600 1.00 0.00 C ATOM 62 OE1 GLU A 5 11.547 -3.961 7.694 1.00 0.00 O ATOM 63 OE2 GLU A 5 13.061 -4.523 6.213 1.00 0.00 O ATOM 0 H GLU A 5 10.523 -3.309 2.511 1.00 0.00 H new ATOM 0 HA GLU A 5 10.704 -5.020 4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.004 -2.104 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.559 -2.954 5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.374 -2.537 4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.650 -1.736 6.266 1.00 0.00 H new ATOM 70 N GLN A 6 8.243 -5.478 5.044 1.00 0.00 N ATOM 71 CA GLN A 6 6.864 -5.928 4.972 1.00 0.00 C ATOM 72 C GLN A 6 6.012 -5.138 5.950 1.00 0.00 C ATOM 73 O GLN A 6 5.944 -5.462 7.135 1.00 0.00 O ATOM 74 CB GLN A 6 6.770 -7.424 5.273 1.00 0.00 C ATOM 75 CG GLN A 6 7.445 -8.294 4.227 1.00 0.00 C ATOM 76 CD GLN A 6 7.429 -9.763 4.589 1.00 0.00 C ATOM 77 OE1 GLN A 6 8.355 -10.269 5.223 1.00 0.00 O ATOM 78 NE2 GLN A 6 6.371 -10.455 4.202 1.00 0.00 N ATOM 0 H GLN A 6 8.771 -5.860 5.829 1.00 0.00 H new ATOM 0 HA GLN A 6 6.493 -5.759 3.961 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.222 -7.620 6.245 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.720 -7.707 5.347 1.00 0.00 H new ATOM 0 HG2 GLN A 6 6.946 -8.155 3.268 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.477 -7.967 4.100 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.626 -9.997 3.678 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.300 -11.447 4.427 1.00 0.00 H new ATOM 87 N LEU A 7 5.379 -4.094 5.453 1.00 0.00 N ATOM 88 CA LEU A 7 4.618 -3.195 6.299 1.00 0.00 C ATOM 89 C LEU A 7 3.127 -3.344 6.053 1.00 0.00 C ATOM 90 O LEU A 7 2.646 -3.177 4.931 1.00 0.00 O ATOM 91 CB LEU A 7 5.063 -1.751 6.062 1.00 0.00 C ATOM 92 CG LEU A 7 6.517 -1.461 6.446 1.00 0.00 C ATOM 93 CD1 LEU A 7 6.893 -0.033 6.091 1.00 0.00 C ATOM 94 CD2 LEU A 7 6.737 -1.715 7.930 1.00 0.00 C ATOM 0 H LEU A 7 5.377 -3.846 4.464 1.00 0.00 H new ATOM 0 HA LEU A 7 4.810 -3.456 7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.924 -1.510 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.412 -1.086 6.629 1.00 0.00 H new ATOM 0 HG LEU A 7 7.160 -2.135 5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.930 0.151 6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.776 0.118 5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.243 0.658 6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.775 -1.504 8.185 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.081 -1.067 8.511 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.512 -2.757 8.158 1.00 0.00 H new ATOM 106 N THR A 8 2.409 -3.675 7.107 1.00 0.00 N ATOM 107 CA THR A 8 0.972 -3.814 7.040 1.00 0.00 C ATOM 108 C THR A 8 0.303 -2.550 7.562 1.00 0.00 C ATOM 109 O THR A 8 0.279 -2.294 8.766 1.00 0.00 O ATOM 110 CB THR A 8 0.502 -5.033 7.857 1.00 0.00 C ATOM 111 OG1 THR A 8 1.147 -6.222 7.367 1.00 0.00 O ATOM 112 CG2 THR A 8 -1.010 -5.191 7.784 1.00 0.00 C ATOM 0 H THR A 8 2.805 -3.854 8.030 1.00 0.00 H new ATOM 0 HA THR A 8 0.689 -3.967 5.999 1.00 0.00 H new ATOM 0 HB THR A 8 0.775 -4.875 8.900 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.493 -6.950 7.312 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.314 -6.059 8.369 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.489 -4.297 8.184 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.312 -5.330 6.746 1.00 0.00 H new ATOM 120 N LEU A 9 -0.216 -1.749 6.649 1.00 0.00 N ATOM 121 CA LEU A 9 -0.855 -0.499 7.018 1.00 0.00 C ATOM 122 C LEU A 9 -2.371 -0.646 7.010 1.00 0.00 C ATOM 123 O LEU A 9 -2.916 -1.430 6.234 1.00 0.00 O ATOM 124 CB LEU A 9 -0.395 0.629 6.083 1.00 0.00 C ATOM 125 CG LEU A 9 -0.321 0.287 4.594 1.00 0.00 C ATOM 126 CD1 LEU A 9 -1.658 0.544 3.920 1.00 0.00 C ATOM 127 CD2 LEU A 9 0.781 1.088 3.916 1.00 0.00 C ATOM 0 H LEU A 9 -0.208 -1.942 5.647 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.556 -0.238 8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.073 1.474 6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.591 0.961 6.407 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.085 -0.773 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.586 0.295 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.425 -0.074 4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.924 1.596 4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.819 0.831 2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.576 2.153 4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.739 0.854 4.380 1.00 0.00 H new ATOM 139 N GLN A 10 -3.043 0.086 7.886 1.00 0.00 N ATOM 140 CA GLN A 10 -4.495 0.005 7.986 1.00 0.00 C ATOM 141 C GLN A 10 -5.156 1.030 7.079 1.00 0.00 C ATOM 142 O GLN A 10 -4.671 2.150 6.925 1.00 0.00 O ATOM 143 CB GLN A 10 -4.963 0.195 9.431 1.00 0.00 C ATOM 144 CG GLN A 10 -4.519 1.508 10.043 1.00 0.00 C ATOM 145 CD GLN A 10 -5.047 1.720 11.448 1.00 0.00 C ATOM 146 OE1 GLN A 10 -6.128 1.244 11.804 1.00 0.00 O ATOM 147 NE2 GLN A 10 -4.286 2.437 12.257 1.00 0.00 N ATOM 0 H GLN A 10 -2.609 0.741 8.536 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.793 -0.992 7.661 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.051 0.138 9.462 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.583 -0.627 10.038 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.430 1.543 10.062 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.853 2.329 9.408 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.399 2.813 11.923 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.586 2.615 13.215 1.00 0.00 H new ATOM 156 N VAL A 11 -6.265 0.635 6.490 1.00 0.00 N ATOM 157 CA VAL A 11 -6.947 1.449 5.507 1.00 0.00 C ATOM 158 C VAL A 11 -8.346 1.802 5.983 1.00 0.00 C ATOM 159 O VAL A 11 -9.157 0.919 6.267 1.00 0.00 O ATOM 160 CB VAL A 11 -7.046 0.710 4.163 1.00 0.00 C ATOM 161 CG1 VAL A 11 -7.546 1.636 3.068 1.00 0.00 C ATOM 162 CG2 VAL A 11 -5.705 0.103 3.794 1.00 0.00 C ATOM 0 H VAL A 11 -6.719 -0.259 6.679 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.368 2.363 5.374 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.770 -0.098 4.268 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.607 1.088 2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.534 2.013 3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.857 2.473 2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.791 -0.417 2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.959 0.893 3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.401 -0.604 4.566 1.00 0.00 H new ATOM 172 N GLU A 12 -8.613 3.088 6.089 1.00 0.00 N ATOM 173 CA GLU A 12 -9.923 3.568 6.486 1.00 0.00 C ATOM 174 C GLU A 12 -10.617 4.218 5.296 1.00 0.00 C ATOM 175 O GLU A 12 -10.055 5.107 4.656 1.00 0.00 O ATOM 176 CB GLU A 12 -9.782 4.568 7.635 1.00 0.00 C ATOM 177 CG GLU A 12 -8.824 4.103 8.721 1.00 0.00 C ATOM 178 CD GLU A 12 -8.764 5.047 9.901 1.00 0.00 C ATOM 179 OE1 GLU A 12 -8.279 6.187 9.737 1.00 0.00 O ATOM 180 OE2 GLU A 12 -9.191 4.648 11.007 1.00 0.00 O ATOM 0 H GLU A 12 -7.934 3.826 5.904 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.528 2.728 6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.435 5.522 7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.763 4.745 8.076 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.129 3.116 9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.826 3.998 8.296 1.00 0.00 H new ATOM 187 N GLY A 13 -11.818 3.756 4.988 1.00 0.00 N ATOM 188 CA GLY A 13 -12.558 4.310 3.874 1.00 0.00 C ATOM 189 C GLY A 13 -12.566 3.388 2.670 1.00 0.00 C ATOM 190 O GLY A 13 -12.310 3.818 1.547 1.00 0.00 O ATOM 0 H GLY A 13 -12.294 3.007 5.490 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.584 4.506 4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.121 5.268 3.592 1.00 0.00 H new ATOM 194 N MET A 14 -12.857 2.117 2.899 1.00 0.00 N ATOM 195 CA MET A 14 -12.934 1.149 1.811 1.00 0.00 C ATOM 196 C MET A 14 -14.238 1.315 1.043 1.00 0.00 C ATOM 197 O MET A 14 -15.321 1.280 1.628 1.00 0.00 O ATOM 198 CB MET A 14 -12.816 -0.281 2.341 1.00 0.00 C ATOM 199 CG MET A 14 -11.389 -0.709 2.636 1.00 0.00 C ATOM 200 SD MET A 14 -10.357 -0.728 1.155 1.00 0.00 S ATOM 201 CE MET A 14 -8.857 -1.465 1.795 1.00 0.00 C ATOM 0 H MET A 14 -13.044 1.731 3.824 1.00 0.00 H new ATOM 0 HA MET A 14 -12.099 1.335 1.135 1.00 0.00 H new ATOM 0 HB2 MET A 14 -13.408 -0.371 3.252 1.00 0.00 H new ATOM 0 HB3 MET A 14 -13.247 -0.966 1.611 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.954 -0.031 3.370 1.00 0.00 H new ATOM 0 HG3 MET A 14 -11.396 -1.703 3.084 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.992 -0.960 1.365 1.00 0.00 H new ATOM 0 HE2 MET A 14 -8.835 -1.362 2.880 1.00 0.00 H new ATOM 0 HE3 MET A 14 -8.829 -2.522 1.530 1.00 0.00 H new ATOM 211 N SER A 15 -14.124 1.504 -0.266 1.00 0.00 N ATOM 212 CA SER A 15 -15.284 1.730 -1.115 1.00 0.00 C ATOM 213 C SER A 15 -16.194 0.498 -1.164 1.00 0.00 C ATOM 214 O SER A 15 -17.301 0.515 -0.620 1.00 0.00 O ATOM 215 CB SER A 15 -14.827 2.106 -2.525 1.00 0.00 C ATOM 216 OG SER A 15 -13.815 3.102 -2.485 1.00 0.00 O ATOM 0 H SER A 15 -13.234 1.505 -0.764 1.00 0.00 H new ATOM 0 HA SER A 15 -15.861 2.550 -0.689 1.00 0.00 H new ATOM 0 HB2 SER A 15 -14.450 1.221 -3.037 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.677 2.470 -3.102 1.00 0.00 H new ATOM 0 HG SER A 15 -13.538 3.324 -3.399 1.00 0.00 H new ATOM 222 N CYS A 16 -15.721 -0.573 -1.800 1.00 0.00 N ATOM 223 CA CYS A 16 -16.535 -1.771 -1.981 1.00 0.00 C ATOM 224 C CYS A 16 -15.683 -2.979 -2.382 1.00 0.00 C ATOM 225 O CYS A 16 -15.321 -3.798 -1.539 1.00 0.00 O ATOM 226 CB CYS A 16 -17.629 -1.511 -3.025 1.00 0.00 C ATOM 227 SG CYS A 16 -17.032 -0.710 -4.536 1.00 0.00 S ATOM 0 H CYS A 16 -14.783 -0.634 -2.196 1.00 0.00 H new ATOM 0 HA CYS A 16 -17.003 -2.006 -1.025 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -18.097 -2.459 -3.290 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -18.403 -0.888 -2.577 1.00 0.00 H new ATOM 0 HG CYS A 16 -17.726 -1.129 -5.552 1.00 0.00 H new ATOM 233 N GLY A 17 -15.359 -3.083 -3.668 1.00 0.00 N ATOM 234 CA GLY A 17 -14.578 -4.208 -4.148 1.00 0.00 C ATOM 235 C GLY A 17 -13.480 -3.786 -5.101 1.00 0.00 C ATOM 236 O GLY A 17 -12.312 -4.097 -4.884 1.00 0.00 O ATOM 0 H GLY A 17 -15.624 -2.408 -4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.137 -4.729 -3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -15.237 -4.917 -4.649 1.00 0.00 H new ATOM 240 N HIS A 18 -13.850 -3.052 -6.150 1.00 0.00 N ATOM 241 CA HIS A 18 -12.881 -2.576 -7.146 1.00 0.00 C ATOM 242 C HIS A 18 -11.839 -1.657 -6.508 1.00 0.00 C ATOM 243 O HIS A 18 -10.788 -1.386 -7.096 1.00 0.00 O ATOM 244 CB HIS A 18 -13.589 -1.863 -8.314 1.00 0.00 C ATOM 245 CG HIS A 18 -14.310 -0.597 -7.944 1.00 0.00 C ATOM 246 ND1 HIS A 18 -15.684 -0.499 -7.891 1.00 0.00 N ATOM 247 CD2 HIS A 18 -13.838 0.631 -7.615 1.00 0.00 C ATOM 248 CE1 HIS A 18 -16.023 0.729 -7.549 1.00 0.00 C ATOM 249 NE2 HIS A 18 -14.923 1.432 -7.376 1.00 0.00 N ATOM 0 H HIS A 18 -14.813 -2.772 -6.335 1.00 0.00 H new ATOM 0 HA HIS A 18 -12.364 -3.449 -7.544 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.849 -1.631 -9.080 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -14.305 -2.553 -8.761 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.800 0.923 -7.553 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.032 1.096 -7.431 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.885 2.415 -7.107 1.00 0.00 H new ATOM 258 N CYS A 19 -12.136 -1.187 -5.301 1.00 0.00 N ATOM 259 CA CYS A 19 -11.222 -0.335 -4.560 1.00 0.00 C ATOM 260 C CYS A 19 -9.904 -1.057 -4.302 1.00 0.00 C ATOM 261 O CYS A 19 -8.844 -0.434 -4.262 1.00 0.00 O ATOM 262 CB CYS A 19 -11.865 0.095 -3.241 1.00 0.00 C ATOM 263 SG CYS A 19 -12.571 -1.264 -2.279 1.00 0.00 S ATOM 0 H CYS A 19 -13.010 -1.386 -4.815 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.011 0.553 -5.155 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -11.116 0.603 -2.634 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -12.650 0.821 -3.453 1.00 0.00 H new ATOM 0 HG CYS A 19 -13.088 -0.796 -1.182 1.00 0.00 H new ATOM 269 N VAL A 20 -9.986 -2.379 -4.149 1.00 0.00 N ATOM 270 CA VAL A 20 -8.809 -3.207 -3.929 1.00 0.00 C ATOM 271 C VAL A 20 -7.862 -3.115 -5.117 1.00 0.00 C ATOM 272 O VAL A 20 -6.676 -2.844 -4.954 1.00 0.00 O ATOM 273 CB VAL A 20 -9.196 -4.688 -3.695 1.00 0.00 C ATOM 274 CG1 VAL A 20 -7.960 -5.555 -3.508 1.00 0.00 C ATOM 275 CG2 VAL A 20 -10.124 -4.814 -2.498 1.00 0.00 C ATOM 0 H VAL A 20 -10.864 -2.898 -4.174 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.310 -2.832 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.723 -5.042 -4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.262 -6.590 -3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.335 -5.495 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.395 -5.202 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.385 -5.862 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.623 -4.435 -1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.030 -4.236 -2.678 1.00 0.00 H new ATOM 285 N ASN A 21 -8.406 -3.312 -6.312 1.00 0.00 N ATOM 286 CA ASN A 21 -7.616 -3.266 -7.540 1.00 0.00 C ATOM 287 C ASN A 21 -6.958 -1.900 -7.705 1.00 0.00 C ATOM 288 O ASN A 21 -5.774 -1.797 -8.050 1.00 0.00 O ATOM 289 CB ASN A 21 -8.498 -3.555 -8.757 1.00 0.00 C ATOM 290 CG ASN A 21 -9.248 -4.867 -8.643 1.00 0.00 C ATOM 291 OD1 ASN A 21 -10.363 -4.913 -8.124 1.00 0.00 O ATOM 292 ND2 ASN A 21 -8.645 -5.939 -9.130 1.00 0.00 N ATOM 0 H ASN A 21 -9.397 -3.506 -6.459 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.841 -4.029 -7.469 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.214 -2.743 -8.882 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.878 -3.574 -9.653 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.105 -6.848 -9.083 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.720 -5.856 -9.552 1.00 0.00 H new ATOM 299 N ALA A 22 -7.738 -0.855 -7.446 1.00 0.00 N ATOM 300 CA ALA A 22 -7.253 0.512 -7.564 1.00 0.00 C ATOM 301 C ALA A 22 -6.072 0.766 -6.635 1.00 0.00 C ATOM 302 O ALA A 22 -4.990 1.142 -7.085 1.00 0.00 O ATOM 303 CB ALA A 22 -8.375 1.495 -7.273 1.00 0.00 C ATOM 0 H ALA A 22 -8.712 -0.932 -7.152 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.909 0.658 -8.588 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.999 2.514 -7.365 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.186 1.342 -7.985 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.746 1.335 -6.261 1.00 0.00 H new ATOM 309 N ILE A 23 -6.270 0.539 -5.340 1.00 0.00 N ATOM 310 CA ILE A 23 -5.229 0.815 -4.356 1.00 0.00 C ATOM 311 C ILE A 23 -4.040 -0.132 -4.536 1.00 0.00 C ATOM 312 O ILE A 23 -2.891 0.267 -4.342 1.00 0.00 O ATOM 313 CB ILE A 23 -5.765 0.736 -2.905 1.00 0.00 C ATOM 314 CG1 ILE A 23 -4.658 1.079 -1.903 1.00 0.00 C ATOM 315 CG2 ILE A 23 -6.345 -0.638 -2.604 1.00 0.00 C ATOM 316 CD1 ILE A 23 -5.115 1.038 -0.460 1.00 0.00 C ATOM 0 H ILE A 23 -7.136 0.167 -4.949 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.892 1.837 -4.528 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.566 1.468 -2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.831 0.381 -2.034 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.273 2.074 -2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.713 -0.661 -1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.168 -0.844 -3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.571 -1.395 -2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.280 1.291 0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.921 1.756 -0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.473 0.037 -0.220 1.00 0.00 H new ATOM 328 N GLU A 24 -4.323 -1.371 -4.933 1.00 0.00 N ATOM 329 CA GLU A 24 -3.278 -2.355 -5.183 1.00 0.00 C ATOM 330 C GLU A 24 -2.277 -1.821 -6.194 1.00 0.00 C ATOM 331 O GLU A 24 -1.080 -1.770 -5.922 1.00 0.00 O ATOM 332 CB GLU A 24 -3.886 -3.674 -5.675 1.00 0.00 C ATOM 333 CG GLU A 24 -2.860 -4.691 -6.145 1.00 0.00 C ATOM 334 CD GLU A 24 -3.499 -5.962 -6.666 1.00 0.00 C ATOM 335 OE1 GLU A 24 -4.142 -5.916 -7.737 1.00 0.00 O ATOM 336 OE2 GLU A 24 -3.355 -7.016 -6.013 1.00 0.00 O ATOM 0 H GLU A 24 -5.270 -1.716 -5.088 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.755 -2.547 -4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.475 -4.113 -4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.574 -3.462 -6.494 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.247 -4.248 -6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.192 -4.936 -5.320 1.00 0.00 H new ATOM 343 N SER A 25 -2.766 -1.390 -7.348 1.00 0.00 N ATOM 344 CA SER A 25 -1.882 -0.863 -8.372 1.00 0.00 C ATOM 345 C SER A 25 -1.334 0.503 -7.989 1.00 0.00 C ATOM 346 O SER A 25 -0.212 0.835 -8.350 1.00 0.00 O ATOM 347 CB SER A 25 -2.570 -0.769 -9.722 1.00 0.00 C ATOM 348 OG SER A 25 -3.868 -0.205 -9.598 1.00 0.00 O ATOM 0 H SER A 25 -3.756 -1.395 -7.595 1.00 0.00 H new ATOM 0 HA SER A 25 -1.054 -1.567 -8.452 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.969 -0.161 -10.398 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.643 -1.762 -10.166 1.00 0.00 H new ATOM 0 HG SER A 25 -4.473 -0.862 -9.196 1.00 0.00 H new ATOM 354 N SER A 26 -2.119 1.292 -7.260 1.00 0.00 N ATOM 355 CA SER A 26 -1.659 2.604 -6.816 1.00 0.00 C ATOM 356 C SER A 26 -0.346 2.469 -6.058 1.00 0.00 C ATOM 357 O SER A 26 0.540 3.312 -6.168 1.00 0.00 O ATOM 358 CB SER A 26 -2.711 3.279 -5.934 1.00 0.00 C ATOM 359 OG SER A 26 -3.916 3.503 -6.650 1.00 0.00 O ATOM 0 H SER A 26 -3.066 1.050 -6.967 1.00 0.00 H new ATOM 0 HA SER A 26 -1.499 3.228 -7.695 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.913 2.655 -5.063 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.324 4.228 -5.563 1.00 0.00 H new ATOM 0 HG SER A 26 -4.406 2.659 -6.738 1.00 0.00 H new ATOM 365 N VAL A 27 -0.232 1.394 -5.294 1.00 0.00 N ATOM 366 CA VAL A 27 1.009 1.072 -4.615 1.00 0.00 C ATOM 367 C VAL A 27 1.965 0.337 -5.555 1.00 0.00 C ATOM 368 O VAL A 27 3.141 0.668 -5.641 1.00 0.00 O ATOM 369 CB VAL A 27 0.753 0.202 -3.367 1.00 0.00 C ATOM 370 CG1 VAL A 27 2.056 -0.091 -2.641 1.00 0.00 C ATOM 371 CG2 VAL A 27 -0.241 0.879 -2.437 1.00 0.00 C ATOM 0 H VAL A 27 -0.988 0.729 -5.130 1.00 0.00 H new ATOM 0 HA VAL A 27 1.462 2.013 -4.302 1.00 0.00 H new ATOM 0 HB VAL A 27 0.324 -0.746 -3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.854 -0.706 -1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.733 -0.624 -3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.517 0.846 -2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.408 0.250 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.156 1.843 -2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.185 1.030 -2.961 1.00 0.00 H new ATOM 381 N LYS A 28 1.435 -0.640 -6.280 1.00 0.00 N ATOM 382 CA LYS A 28 2.252 -1.554 -7.077 1.00 0.00 C ATOM 383 C LYS A 28 2.942 -0.862 -8.260 1.00 0.00 C ATOM 384 O LYS A 28 4.035 -1.263 -8.660 1.00 0.00 O ATOM 385 CB LYS A 28 1.392 -2.713 -7.580 1.00 0.00 C ATOM 386 CG LYS A 28 2.194 -3.862 -8.158 1.00 0.00 C ATOM 387 CD LYS A 28 1.294 -5.028 -8.520 1.00 0.00 C ATOM 388 CE LYS A 28 2.093 -6.209 -9.037 1.00 0.00 C ATOM 389 NZ LYS A 28 2.806 -5.899 -10.304 1.00 0.00 N ATOM 0 H LYS A 28 0.433 -0.823 -6.334 1.00 0.00 H new ATOM 0 HA LYS A 28 3.041 -1.927 -6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.782 -3.085 -6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.706 -2.341 -8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.732 -3.525 -9.044 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.943 -4.187 -7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.720 -5.331 -7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.577 -4.713 -9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.817 -6.514 -8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.424 -7.055 -9.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.211 -6.773 -10.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.138 -5.489 -10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.569 -5.218 -10.115 1.00 0.00 H new ATOM 403 N GLU A 29 2.311 0.165 -8.822 1.00 0.00 N ATOM 404 CA GLU A 29 2.906 0.900 -9.938 1.00 0.00 C ATOM 405 C GLU A 29 4.141 1.651 -9.485 1.00 0.00 C ATOM 406 O GLU A 29 5.035 1.943 -10.283 1.00 0.00 O ATOM 407 CB GLU A 29 1.921 1.903 -10.540 1.00 0.00 C ATOM 408 CG GLU A 29 0.750 1.266 -11.265 1.00 0.00 C ATOM 409 CD GLU A 29 0.035 2.247 -12.169 1.00 0.00 C ATOM 410 OE1 GLU A 29 0.472 2.420 -13.326 1.00 0.00 O ATOM 411 OE2 GLU A 29 -0.964 2.854 -11.735 1.00 0.00 O ATOM 0 H GLU A 29 1.396 0.506 -8.528 1.00 0.00 H new ATOM 0 HA GLU A 29 3.173 0.164 -10.696 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.537 2.541 -9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.457 2.549 -11.236 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.106 0.423 -11.857 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.046 0.868 -10.535 1.00 0.00 H new ATOM 418 N LEU A 30 4.169 1.969 -8.204 1.00 0.00 N ATOM 419 CA LEU A 30 5.264 2.748 -7.630 1.00 0.00 C ATOM 420 C LEU A 30 6.598 2.003 -7.730 1.00 0.00 C ATOM 421 O LEU A 30 6.691 0.812 -7.416 1.00 0.00 O ATOM 422 CB LEU A 30 4.974 3.109 -6.170 1.00 0.00 C ATOM 423 CG LEU A 30 3.670 3.877 -5.930 1.00 0.00 C ATOM 424 CD1 LEU A 30 3.568 4.313 -4.476 1.00 0.00 C ATOM 425 CD2 LEU A 30 3.568 5.077 -6.865 1.00 0.00 C ATOM 0 H LEU A 30 3.447 1.702 -7.535 1.00 0.00 H new ATOM 0 HA LEU A 30 5.343 3.667 -8.210 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.948 2.190 -5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.803 3.706 -5.789 1.00 0.00 H new ATOM 0 HG LEU A 30 2.835 3.211 -6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.636 4.857 -4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.585 3.435 -3.831 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.410 4.960 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.634 5.607 -6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.408 5.748 -6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.588 4.735 -7.900 1.00 0.00 H new ATOM 437 N ASN A 31 7.623 2.722 -8.174 1.00 0.00 N ATOM 438 CA ASN A 31 8.962 2.165 -8.336 1.00 0.00 C ATOM 439 C ASN A 31 9.570 1.814 -6.983 1.00 0.00 C ATOM 440 O ASN A 31 9.836 2.697 -6.165 1.00 0.00 O ATOM 441 CB ASN A 31 9.863 3.176 -9.051 1.00 0.00 C ATOM 442 CG ASN A 31 11.201 2.597 -9.472 1.00 0.00 C ATOM 443 OD1 ASN A 31 11.210 1.340 -9.889 1.00 0.00 O flip ATOM 444 ND2 ASN A 31 12.218 3.290 -9.458 1.00 0.00 N flip ATOM 0 H ASN A 31 7.550 3.706 -8.432 1.00 0.00 H new ATOM 0 HA ASN A 31 8.884 1.256 -8.932 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.345 3.554 -9.933 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.035 4.028 -8.393 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.173 4.255 -9.130 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.106 2.900 -9.774 1.00 0.00 H new ATOM 451 N GLY A 32 9.791 0.527 -6.753 1.00 0.00 N ATOM 452 CA GLY A 32 10.348 0.082 -5.496 1.00 0.00 C ATOM 453 C GLY A 32 9.416 -0.860 -4.768 1.00 0.00 C ATOM 454 O GLY A 32 9.764 -1.411 -3.726 1.00 0.00 O ATOM 0 H GLY A 32 9.592 -0.219 -7.420 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.300 -0.417 -5.677 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.556 0.946 -4.865 1.00 0.00 H new ATOM 458 N VAL A 33 8.230 -1.059 -5.320 1.00 0.00 N ATOM 459 CA VAL A 33 7.245 -1.919 -4.705 1.00 0.00 C ATOM 460 C VAL A 33 7.323 -3.317 -5.282 1.00 0.00 C ATOM 461 O VAL A 33 7.067 -3.541 -6.467 1.00 0.00 O ATOM 462 CB VAL A 33 5.823 -1.360 -4.867 1.00 0.00 C ATOM 463 CG1 VAL A 33 4.787 -2.347 -4.354 1.00 0.00 C ATOM 464 CG2 VAL A 33 5.711 -0.044 -4.126 1.00 0.00 C ATOM 0 H VAL A 33 7.930 -0.632 -6.197 1.00 0.00 H new ATOM 0 HA VAL A 33 7.470 -1.961 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 33 5.630 -1.196 -5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.790 -1.926 -4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.862 -3.278 -4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.966 -2.546 -3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.702 0.353 -4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.921 -0.203 -3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.429 0.666 -4.535 1.00 0.00 H new ATOM 474 N GLU A 34 7.688 -4.242 -4.425 1.00 0.00 N ATOM 475 CA GLU A 34 7.836 -5.634 -4.798 1.00 0.00 C ATOM 476 C GLU A 34 6.465 -6.299 -4.894 1.00 0.00 C ATOM 477 O GLU A 34 6.094 -6.831 -5.939 1.00 0.00 O ATOM 478 CB GLU A 34 8.733 -6.319 -3.762 1.00 0.00 C ATOM 479 CG GLU A 34 8.674 -7.839 -3.761 1.00 0.00 C ATOM 480 CD GLU A 34 9.083 -8.444 -5.084 1.00 0.00 C ATOM 481 OE1 GLU A 34 10.244 -8.251 -5.502 1.00 0.00 O ATOM 482 OE2 GLU A 34 8.243 -9.110 -5.722 1.00 0.00 O ATOM 0 H GLU A 34 7.892 -4.051 -3.444 1.00 0.00 H new ATOM 0 HA GLU A 34 8.303 -5.722 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.764 -6.011 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.457 -5.960 -2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.325 -8.222 -2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.660 -8.158 -3.519 1.00 0.00 H new ATOM 489 N GLN A 35 5.704 -6.231 -3.811 1.00 0.00 N ATOM 490 CA GLN A 35 4.370 -6.812 -3.779 1.00 0.00 C ATOM 491 C GLN A 35 3.479 -6.026 -2.831 1.00 0.00 C ATOM 492 O GLN A 35 3.967 -5.358 -1.917 1.00 0.00 O ATOM 493 CB GLN A 35 4.423 -8.282 -3.352 1.00 0.00 C ATOM 494 CG GLN A 35 5.112 -8.496 -2.016 1.00 0.00 C ATOM 495 CD GLN A 35 4.804 -9.846 -1.402 1.00 0.00 C ATOM 496 OE1 GLN A 35 4.562 -10.822 -2.109 1.00 0.00 O ATOM 497 NE2 GLN A 35 4.813 -9.911 -0.079 1.00 0.00 N ATOM 0 H GLN A 35 5.988 -5.779 -2.942 1.00 0.00 H new ATOM 0 HA GLN A 35 3.953 -6.762 -4.785 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.407 -8.673 -3.296 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.944 -8.857 -4.118 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.190 -8.401 -2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.806 -7.710 -1.325 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.019 -9.077 0.471 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.614 -10.795 0.390 1.00 0.00 H new ATOM 506 N VAL A 36 2.179 -6.101 -3.058 1.00 0.00 N ATOM 507 CA VAL A 36 1.216 -5.392 -2.235 1.00 0.00 C ATOM 508 C VAL A 36 -0.096 -6.173 -2.148 1.00 0.00 C ATOM 509 O VAL A 36 -0.765 -6.404 -3.155 1.00 0.00 O ATOM 510 CB VAL A 36 0.964 -3.963 -2.781 1.00 0.00 C ATOM 511 CG1 VAL A 36 0.622 -3.989 -4.265 1.00 0.00 C ATOM 512 CG2 VAL A 36 -0.135 -3.270 -1.998 1.00 0.00 C ATOM 0 H VAL A 36 1.764 -6.650 -3.811 1.00 0.00 H new ATOM 0 HA VAL A 36 1.632 -5.302 -1.231 1.00 0.00 H new ATOM 0 HB VAL A 36 1.887 -3.397 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.451 -2.972 -4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.449 -4.431 -4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.279 -4.583 -4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.293 -2.269 -2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.058 -3.844 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.155 -3.198 -0.950 1.00 0.00 H new ATOM 522 N LYS A 37 -0.447 -6.605 -0.946 1.00 0.00 N ATOM 523 CA LYS A 37 -1.674 -7.360 -0.735 1.00 0.00 C ATOM 524 C LYS A 37 -2.704 -6.514 -0.006 1.00 0.00 C ATOM 525 O LYS A 37 -2.557 -6.233 1.184 1.00 0.00 O ATOM 526 CB LYS A 37 -1.398 -8.634 0.064 1.00 0.00 C ATOM 527 CG LYS A 37 -0.481 -9.621 -0.642 1.00 0.00 C ATOM 528 CD LYS A 37 -0.280 -10.884 0.181 1.00 0.00 C ATOM 529 CE LYS A 37 -1.590 -11.628 0.406 1.00 0.00 C ATOM 530 NZ LYS A 37 -2.190 -12.110 -0.868 1.00 0.00 N ATOM 0 H LYS A 37 0.101 -6.446 -0.101 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.068 -7.636 -1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.953 -8.361 1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.346 -9.126 0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.904 -9.882 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.484 -9.151 -0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.428 -11.540 -0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.160 -10.624 1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.415 -12.477 1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.297 -10.971 0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.993 -12.737 -0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.522 -11.297 -1.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.475 -12.633 -1.412 1.00 0.00 H new ATOM 544 N VAL A 38 -3.732 -6.089 -0.723 1.00 0.00 N ATOM 545 CA VAL A 38 -4.812 -5.326 -0.121 1.00 0.00 C ATOM 546 C VAL A 38 -5.849 -6.264 0.488 1.00 0.00 C ATOM 547 O VAL A 38 -6.500 -7.029 -0.224 1.00 0.00 O ATOM 548 CB VAL A 38 -5.493 -4.412 -1.155 1.00 0.00 C ATOM 549 CG1 VAL A 38 -6.584 -3.575 -0.501 1.00 0.00 C ATOM 550 CG2 VAL A 38 -4.462 -3.526 -1.834 1.00 0.00 C ATOM 0 H VAL A 38 -3.841 -6.260 -1.723 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.380 -4.703 0.662 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.962 -5.037 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.052 -2.937 -1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.336 -4.233 -0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.147 -2.955 0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.957 -2.885 -2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.964 -2.909 -1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.724 -4.148 -2.340 1.00 0.00 H new ATOM 560 N GLN A 39 -5.990 -6.205 1.803 1.00 0.00 N ATOM 561 CA GLN A 39 -6.922 -7.064 2.515 1.00 0.00 C ATOM 562 C GLN A 39 -8.194 -6.298 2.847 1.00 0.00 C ATOM 563 O GLN A 39 -8.225 -5.493 3.783 1.00 0.00 O ATOM 564 CB GLN A 39 -6.280 -7.595 3.801 1.00 0.00 C ATOM 565 CG GLN A 39 -5.003 -8.388 3.567 1.00 0.00 C ATOM 566 CD GLN A 39 -5.246 -9.691 2.832 1.00 0.00 C ATOM 567 OE1 GLN A 39 -5.200 -9.747 1.605 1.00 0.00 O ATOM 568 NE2 GLN A 39 -5.521 -10.746 3.582 1.00 0.00 N ATOM 0 H GLN A 39 -5.467 -5.566 2.402 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.175 -7.908 1.874 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.060 -6.755 4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.999 -8.228 4.321 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.302 -7.779 2.995 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.532 -8.600 4.527 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.549 -10.656 4.598 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.705 -11.649 3.144 1.00 0.00 H new ATOM 577 N LEU A 40 -9.238 -6.544 2.074 1.00 0.00 N ATOM 578 CA LEU A 40 -10.500 -5.836 2.236 1.00 0.00 C ATOM 579 C LEU A 40 -11.151 -6.208 3.567 1.00 0.00 C ATOM 580 O LEU A 40 -11.550 -5.335 4.333 1.00 0.00 O ATOM 581 CB LEU A 40 -11.434 -6.163 1.060 1.00 0.00 C ATOM 582 CG LEU A 40 -12.521 -5.126 0.736 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.562 -5.041 1.840 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.896 -3.763 0.494 1.00 0.00 C ATOM 0 H LEU A 40 -9.238 -7.233 1.322 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.310 -4.763 2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.823 -6.306 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.922 -7.115 1.267 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.028 -5.451 -0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.314 -4.297 1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -14.041 -6.012 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.079 -4.752 2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.678 -3.039 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.358 -3.446 1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.203 -3.824 -0.345 1.00 0.00 H new ATOM 596 N ALA A 41 -11.215 -7.505 3.845 1.00 0.00 N ATOM 597 CA ALA A 41 -11.887 -8.014 5.038 1.00 0.00 C ATOM 598 C ALA A 41 -11.258 -7.487 6.325 1.00 0.00 C ATOM 599 O ALA A 41 -11.941 -7.333 7.341 1.00 0.00 O ATOM 600 CB ALA A 41 -11.866 -9.532 5.038 1.00 0.00 C ATOM 0 H ALA A 41 -10.806 -8.230 3.255 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.917 -7.658 5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.369 -9.903 5.931 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.380 -9.903 4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.834 -9.882 5.032 1.00 0.00 H new ATOM 606 N GLU A 42 -9.961 -7.212 6.288 1.00 0.00 N ATOM 607 CA GLU A 42 -9.264 -6.736 7.475 1.00 0.00 C ATOM 608 C GLU A 42 -9.215 -5.211 7.503 1.00 0.00 C ATOM 609 O GLU A 42 -9.195 -4.603 8.573 1.00 0.00 O ATOM 610 CB GLU A 42 -7.844 -7.306 7.533 1.00 0.00 C ATOM 611 CG GLU A 42 -7.157 -7.102 8.874 1.00 0.00 C ATOM 612 CD GLU A 42 -5.851 -7.859 8.975 1.00 0.00 C ATOM 613 OE1 GLU A 42 -4.827 -7.365 8.462 1.00 0.00 O ATOM 614 OE2 GLU A 42 -5.844 -8.960 9.560 1.00 0.00 O ATOM 0 H GLU A 42 -9.376 -7.309 5.458 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.817 -7.082 8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.881 -8.373 7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.243 -6.840 6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.970 -6.039 9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.824 -7.425 9.673 1.00 0.00 H new ATOM 621 N GLY A 43 -9.210 -4.595 6.327 1.00 0.00 N ATOM 622 CA GLY A 43 -9.052 -3.160 6.257 1.00 0.00 C ATOM 623 C GLY A 43 -7.597 -2.778 6.337 1.00 0.00 C ATOM 624 O GLY A 43 -7.242 -1.772 6.943 1.00 0.00 O ATOM 0 H GLY A 43 -9.312 -5.063 5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.480 -2.787 5.326 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.602 -2.689 7.072 1.00 0.00 H new ATOM 628 N THR A 44 -6.749 -3.598 5.733 1.00 0.00 N ATOM 629 CA THR A 44 -5.316 -3.384 5.786 1.00 0.00 C ATOM 630 C THR A 44 -4.684 -3.642 4.425 1.00 0.00 C ATOM 631 O THR A 44 -5.294 -4.257 3.551 1.00 0.00 O ATOM 632 CB THR A 44 -4.643 -4.311 6.823 1.00 0.00 C ATOM 633 OG1 THR A 44 -4.813 -5.681 6.438 1.00 0.00 O ATOM 634 CG2 THR A 44 -5.229 -4.113 8.212 1.00 0.00 C ATOM 0 H THR A 44 -7.033 -4.420 5.200 1.00 0.00 H new ATOM 0 HA THR A 44 -5.160 -2.346 6.080 1.00 0.00 H new ATOM 0 HB THR A 44 -3.584 -4.056 6.853 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.760 -6.253 7.232 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.732 -4.781 8.915 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.080 -3.080 8.526 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.296 -4.336 8.192 1.00 0.00 H new ATOM 642 N VAL A 45 -3.470 -3.154 4.248 1.00 0.00 N ATOM 643 CA VAL A 45 -2.698 -3.419 3.051 1.00 0.00 C ATOM 644 C VAL A 45 -1.280 -3.810 3.438 1.00 0.00 C ATOM 645 O VAL A 45 -0.559 -3.029 4.059 1.00 0.00 O ATOM 646 CB VAL A 45 -2.658 -2.198 2.108 1.00 0.00 C ATOM 647 CG1 VAL A 45 -1.776 -2.481 0.907 1.00 0.00 C ATOM 648 CG2 VAL A 45 -4.054 -1.826 1.646 1.00 0.00 C ATOM 0 H VAL A 45 -2.993 -2.564 4.930 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.183 -4.236 2.516 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.240 -1.359 2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.760 -1.609 0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.763 -2.701 1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.170 -3.337 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.000 -0.963 0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.497 -2.667 1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.670 -1.581 2.511 1.00 0.00 H new ATOM 658 N GLU A 46 -0.897 -5.027 3.098 1.00 0.00 N ATOM 659 CA GLU A 46 0.434 -5.511 3.407 1.00 0.00 C ATOM 660 C GLU A 46 1.347 -5.282 2.219 1.00 0.00 C ATOM 661 O GLU A 46 1.208 -5.932 1.181 1.00 0.00 O ATOM 662 CB GLU A 46 0.396 -6.993 3.768 1.00 0.00 C ATOM 663 CG GLU A 46 -0.658 -7.323 4.806 1.00 0.00 C ATOM 664 CD GLU A 46 -0.422 -8.655 5.469 1.00 0.00 C ATOM 665 OE1 GLU A 46 -0.618 -9.697 4.815 1.00 0.00 O ATOM 666 OE2 GLU A 46 -0.033 -8.669 6.653 1.00 0.00 O ATOM 0 H GLU A 46 -1.489 -5.697 2.608 1.00 0.00 H new ATOM 0 HA GLU A 46 0.819 -4.962 4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.206 -7.576 2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.374 -7.295 4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.672 -6.541 5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.640 -7.326 4.333 1.00 0.00 H new ATOM 673 N VAL A 47 2.258 -4.341 2.361 1.00 0.00 N ATOM 674 CA VAL A 47 3.123 -3.965 1.263 1.00 0.00 C ATOM 675 C VAL A 47 4.565 -4.357 1.547 1.00 0.00 C ATOM 676 O VAL A 47 5.065 -4.171 2.656 1.00 0.00 O ATOM 677 CB VAL A 47 3.070 -2.450 0.985 1.00 0.00 C ATOM 678 CG1 VAL A 47 3.700 -2.134 -0.357 1.00 0.00 C ATOM 679 CG2 VAL A 47 1.646 -1.928 1.043 1.00 0.00 C ATOM 0 H VAL A 47 2.418 -3.823 3.225 1.00 0.00 H new ATOM 0 HA VAL A 47 2.760 -4.499 0.385 1.00 0.00 H new ATOM 0 HB VAL A 47 3.641 -1.946 1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.654 -1.060 -0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.741 -2.457 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.159 -2.657 -1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.643 -0.857 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.040 -2.439 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.231 -2.113 2.034 1.00 0.00 H new ATOM 689 N THR A 48 5.220 -4.907 0.541 1.00 0.00 N ATOM 690 CA THR A 48 6.630 -5.216 0.624 1.00 0.00 C ATOM 691 C THR A 48 7.399 -4.305 -0.329 1.00 0.00 C ATOM 692 O THR A 48 7.392 -4.509 -1.544 1.00 0.00 O ATOM 693 CB THR A 48 6.885 -6.696 0.281 1.00 0.00 C ATOM 694 OG1 THR A 48 6.027 -7.529 1.074 1.00 0.00 O ATOM 695 CG2 THR A 48 8.336 -7.076 0.526 1.00 0.00 C ATOM 0 H THR A 48 4.789 -5.150 -0.351 1.00 0.00 H new ATOM 0 HA THR A 48 6.975 -5.047 1.644 1.00 0.00 H new ATOM 0 HB THR A 48 6.669 -6.843 -0.777 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.717 -7.028 1.857 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.484 -8.126 0.275 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.984 -6.459 -0.097 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.582 -6.916 1.576 1.00 0.00 H new ATOM 703 N ILE A 49 8.021 -3.274 0.224 1.00 0.00 N ATOM 704 CA ILE A 49 8.681 -2.255 -0.587 1.00 0.00 C ATOM 705 C ILE A 49 10.175 -2.217 -0.345 1.00 0.00 C ATOM 706 O ILE A 49 10.637 -2.453 0.770 1.00 0.00 O ATOM 707 CB ILE A 49 8.137 -0.847 -0.285 1.00 0.00 C ATOM 708 CG1 ILE A 49 8.256 -0.541 1.215 1.00 0.00 C ATOM 709 CG2 ILE A 49 6.703 -0.724 -0.755 1.00 0.00 C ATOM 710 CD1 ILE A 49 8.028 0.914 1.566 1.00 0.00 C ATOM 0 H ILE A 49 8.084 -3.119 1.230 1.00 0.00 H new ATOM 0 HA ILE A 49 8.475 -2.529 -1.622 1.00 0.00 H new ATOM 0 HB ILE A 49 8.734 -0.114 -0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.536 -1.153 1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.248 -0.836 1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.332 0.277 -0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.656 -0.900 -1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.087 -1.461 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.129 1.049 2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.764 1.532 1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.026 1.210 1.256 1.00 0.00 H new ATOM 722 N ASP A 50 10.922 -1.898 -1.389 1.00 0.00 N ATOM 723 CA ASP A 50 12.336 -1.614 -1.253 1.00 0.00 C ATOM 724 C ASP A 50 12.493 -0.244 -0.619 1.00 0.00 C ATOM 725 O ASP A 50 12.386 0.785 -1.295 1.00 0.00 O ATOM 726 CB ASP A 50 13.047 -1.645 -2.609 1.00 0.00 C ATOM 727 CG ASP A 50 14.534 -1.358 -2.489 1.00 0.00 C ATOM 728 OD1 ASP A 50 15.065 -1.394 -1.354 1.00 0.00 O ATOM 729 OD2 ASP A 50 15.177 -1.097 -3.528 1.00 0.00 O ATOM 0 H ASP A 50 10.568 -1.830 -2.343 1.00 0.00 H new ATOM 0 HA ASP A 50 12.792 -2.380 -0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.904 -2.623 -3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 50 12.590 -0.911 -3.273 1.00 0.00 H new ATOM 734 N SER A 51 12.743 -0.238 0.679 1.00 0.00 N ATOM 735 CA SER A 51 12.782 0.992 1.450 1.00 0.00 C ATOM 736 C SER A 51 14.076 1.766 1.203 1.00 0.00 C ATOM 737 O SER A 51 14.356 2.760 1.872 1.00 0.00 O ATOM 738 CB SER A 51 12.610 0.672 2.937 1.00 0.00 C ATOM 739 OG SER A 51 13.603 -0.239 3.385 1.00 0.00 O ATOM 0 H SER A 51 12.924 -1.080 1.225 1.00 0.00 H new ATOM 0 HA SER A 51 11.960 1.630 1.126 1.00 0.00 H new ATOM 0 HB2 SER A 51 12.668 1.592 3.519 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.620 0.248 3.108 1.00 0.00 H new ATOM 0 HG SER A 51 13.554 -1.063 2.856 1.00 0.00 H new ATOM 745 N SER A 52 14.858 1.305 0.235 1.00 0.00 N ATOM 746 CA SER A 52 16.053 2.020 -0.182 1.00 0.00 C ATOM 747 C SER A 52 15.705 2.996 -1.302 1.00 0.00 C ATOM 748 O SER A 52 16.459 3.926 -1.598 1.00 0.00 O ATOM 749 CB SER A 52 17.113 1.029 -0.658 1.00 0.00 C ATOM 750 OG SER A 52 17.268 -0.031 0.271 1.00 0.00 O ATOM 0 H SER A 52 14.684 0.439 -0.275 1.00 0.00 H new ATOM 0 HA SER A 52 16.450 2.579 0.665 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.830 0.627 -1.631 1.00 0.00 H new ATOM 0 HB3 SER A 52 18.065 1.544 -0.791 1.00 0.00 H new ATOM 0 HG SER A 52 18.134 -0.466 0.129 1.00 0.00 H new ATOM 756 N VAL A 53 14.545 2.782 -1.907 1.00 0.00 N ATOM 757 CA VAL A 53 14.109 3.581 -3.042 1.00 0.00 C ATOM 758 C VAL A 53 12.825 4.334 -2.717 1.00 0.00 C ATOM 759 O VAL A 53 12.814 5.563 -2.653 1.00 0.00 O ATOM 760 CB VAL A 53 13.892 2.696 -4.286 1.00 0.00 C ATOM 761 CG1 VAL A 53 13.404 3.525 -5.464 1.00 0.00 C ATOM 762 CG2 VAL A 53 15.176 1.965 -4.638 1.00 0.00 C ATOM 0 H VAL A 53 13.885 2.056 -1.628 1.00 0.00 H new ATOM 0 HA VAL A 53 14.896 4.304 -3.257 1.00 0.00 H new ATOM 0 HB VAL A 53 13.123 1.959 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 53 13.259 2.878 -6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.459 4.003 -5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 53 14.144 4.289 -5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.011 1.343 -5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 53 15.962 2.691 -4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.478 1.336 -3.801 1.00 0.00 H new ATOM 772 N VAL A 54 11.748 3.593 -2.506 1.00 0.00 N ATOM 773 CA VAL A 54 10.471 4.190 -2.166 1.00 0.00 C ATOM 774 C VAL A 54 10.247 4.092 -0.654 1.00 0.00 C ATOM 775 O VAL A 54 10.601 3.088 -0.035 1.00 0.00 O ATOM 776 CB VAL A 54 9.310 3.505 -2.932 1.00 0.00 C ATOM 777 CG1 VAL A 54 9.157 2.046 -2.526 1.00 0.00 C ATOM 778 CG2 VAL A 54 8.006 4.256 -2.731 1.00 0.00 C ATOM 0 H VAL A 54 11.736 2.575 -2.565 1.00 0.00 H new ATOM 0 HA VAL A 54 10.487 5.239 -2.462 1.00 0.00 H new ATOM 0 HB VAL A 54 9.560 3.531 -3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.334 1.598 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.079 1.508 -2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.948 1.986 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.209 3.754 -3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.759 4.278 -1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.113 5.276 -3.100 1.00 0.00 H new ATOM 788 N THR A 55 9.692 5.137 -0.052 1.00 0.00 N ATOM 789 CA THR A 55 9.464 5.132 1.385 1.00 0.00 C ATOM 790 C THR A 55 8.043 4.697 1.709 1.00 0.00 C ATOM 791 O THR A 55 7.178 4.655 0.830 1.00 0.00 O ATOM 792 CB THR A 55 9.724 6.517 2.020 1.00 0.00 C ATOM 793 OG1 THR A 55 8.879 7.512 1.425 1.00 0.00 O ATOM 794 CG2 THR A 55 11.182 6.917 1.865 1.00 0.00 C ATOM 0 H THR A 55 9.395 5.988 -0.530 1.00 0.00 H new ATOM 0 HA THR A 55 10.172 4.419 1.808 1.00 0.00 H new ATOM 0 HB THR A 55 9.492 6.447 3.083 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.153 7.661 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.341 7.895 2.319 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.816 6.180 2.358 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.436 6.963 0.806 1.00 0.00 H new ATOM 802 N LEU A 56 7.806 4.380 2.975 1.00 0.00 N ATOM 803 CA LEU A 56 6.473 4.028 3.440 1.00 0.00 C ATOM 804 C LEU A 56 5.555 5.235 3.277 1.00 0.00 C ATOM 805 O LEU A 56 4.358 5.096 3.013 1.00 0.00 O ATOM 806 CB LEU A 56 6.541 3.564 4.909 1.00 0.00 C ATOM 807 CG LEU A 56 5.241 3.030 5.539 1.00 0.00 C ATOM 808 CD1 LEU A 56 4.364 4.165 6.043 1.00 0.00 C ATOM 809 CD2 LEU A 56 4.474 2.163 4.549 1.00 0.00 C ATOM 0 H LEU A 56 8.523 4.360 3.700 1.00 0.00 H new ATOM 0 HA LEU A 56 6.070 3.205 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.298 2.783 4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.889 4.402 5.512 1.00 0.00 H new ATOM 0 HG LEU A 56 5.519 2.414 6.394 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.454 3.755 6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.905 4.736 6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.102 4.819 5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.560 1.798 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.220 2.754 3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.093 1.316 4.251 1.00 0.00 H new ATOM 821 N LYS A 57 6.137 6.423 3.398 1.00 0.00 N ATOM 822 CA LYS A 57 5.383 7.653 3.251 1.00 0.00 C ATOM 823 C LYS A 57 4.837 7.788 1.838 1.00 0.00 C ATOM 824 O LYS A 57 3.682 8.146 1.659 1.00 0.00 O ATOM 825 CB LYS A 57 6.234 8.866 3.595 1.00 0.00 C ATOM 826 CG LYS A 57 5.634 9.680 4.722 1.00 0.00 C ATOM 827 CD LYS A 57 4.233 10.171 4.381 1.00 0.00 C ATOM 828 CE LYS A 57 3.676 11.052 5.485 1.00 0.00 C ATOM 829 NZ LYS A 57 2.234 11.347 5.288 1.00 0.00 N ATOM 0 H LYS A 57 7.128 6.556 3.597 1.00 0.00 H new ATOM 0 HA LYS A 57 4.547 7.609 3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.234 8.538 3.877 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.342 9.495 2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.597 9.075 5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.277 10.534 4.936 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.258 10.729 3.445 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.573 9.317 4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.817 10.560 6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.236 11.987 5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.894 11.951 6.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.101 11.840 4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.696 10.457 5.280 1.00 0.00 H new ATOM 843 N ASP A 58 5.671 7.484 0.842 1.00 0.00 N ATOM 844 CA ASP A 58 5.245 7.535 -0.559 1.00 0.00 C ATOM 845 C ASP A 58 4.023 6.657 -0.771 1.00 0.00 C ATOM 846 O ASP A 58 3.060 7.057 -1.424 1.00 0.00 O ATOM 847 CB ASP A 58 6.355 7.059 -1.503 1.00 0.00 C ATOM 848 CG ASP A 58 7.528 8.008 -1.592 1.00 0.00 C ATOM 849 OD1 ASP A 58 7.370 9.103 -2.172 1.00 0.00 O ATOM 850 OD2 ASP A 58 8.620 7.654 -1.101 1.00 0.00 O ATOM 0 H ASP A 58 6.641 7.201 0.978 1.00 0.00 H new ATOM 0 HA ASP A 58 5.008 8.575 -0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.712 6.085 -1.167 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.936 6.919 -2.500 1.00 0.00 H new ATOM 855 N ILE A 59 4.080 5.461 -0.201 1.00 0.00 N ATOM 856 CA ILE A 59 2.991 4.502 -0.299 1.00 0.00 C ATOM 857 C ILE A 59 1.703 5.102 0.256 1.00 0.00 C ATOM 858 O ILE A 59 0.691 5.174 -0.441 1.00 0.00 O ATOM 859 CB ILE A 59 3.328 3.206 0.472 1.00 0.00 C ATOM 860 CG1 ILE A 59 4.667 2.630 -0.005 1.00 0.00 C ATOM 861 CG2 ILE A 59 2.217 2.176 0.316 1.00 0.00 C ATOM 862 CD1 ILE A 59 4.702 2.309 -1.485 1.00 0.00 C ATOM 0 H ILE A 59 4.879 5.130 0.340 1.00 0.00 H new ATOM 0 HA ILE A 59 2.852 4.260 -1.353 1.00 0.00 H new ATOM 0 HB ILE A 59 3.414 3.453 1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.460 3.343 0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.883 1.723 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.478 1.273 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.285 2.584 0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.092 1.933 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.680 1.906 -1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.933 1.572 -1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.518 3.217 -2.059 1.00 0.00 H new ATOM 874 N VAL A 60 1.761 5.553 1.504 1.00 0.00 N ATOM 875 CA VAL A 60 0.596 6.121 2.174 1.00 0.00 C ATOM 876 C VAL A 60 0.118 7.387 1.464 1.00 0.00 C ATOM 877 O VAL A 60 -1.082 7.588 1.280 1.00 0.00 O ATOM 878 CB VAL A 60 0.900 6.439 3.656 1.00 0.00 C ATOM 879 CG1 VAL A 60 -0.327 6.989 4.363 1.00 0.00 C ATOM 880 CG2 VAL A 60 1.411 5.200 4.372 1.00 0.00 C ATOM 0 H VAL A 60 2.606 5.536 2.075 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.196 5.373 2.134 1.00 0.00 H new ATOM 0 HB VAL A 60 1.676 7.204 3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.082 7.203 5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.650 7.906 3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.130 6.253 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.620 5.442 5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.655 4.416 4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.325 4.852 3.890 1.00 0.00 H new ATOM 890 N ALA A 61 1.066 8.220 1.044 1.00 0.00 N ATOM 891 CA ALA A 61 0.758 9.477 0.371 1.00 0.00 C ATOM 892 C ALA A 61 -0.097 9.247 -0.873 1.00 0.00 C ATOM 893 O ALA A 61 -1.038 9.998 -1.146 1.00 0.00 O ATOM 894 CB ALA A 61 2.039 10.205 -0.003 1.00 0.00 C ATOM 0 H ALA A 61 2.064 8.044 1.160 1.00 0.00 H new ATOM 0 HA ALA A 61 0.187 10.094 1.064 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.792 11.141 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.614 10.417 0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.631 9.580 -0.672 1.00 0.00 H new ATOM 900 N VAL A 62 0.238 8.211 -1.634 1.00 0.00 N ATOM 901 CA VAL A 62 -0.527 7.864 -2.824 1.00 0.00 C ATOM 902 C VAL A 62 -1.864 7.234 -2.438 1.00 0.00 C ATOM 903 O VAL A 62 -2.910 7.606 -2.971 1.00 0.00 O ATOM 904 CB VAL A 62 0.256 6.904 -3.750 1.00 0.00 C ATOM 905 CG1 VAL A 62 -0.591 6.495 -4.947 1.00 0.00 C ATOM 906 CG2 VAL A 62 1.553 7.553 -4.213 1.00 0.00 C ATOM 0 H VAL A 62 1.032 7.599 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.709 8.789 -3.372 1.00 0.00 H new ATOM 0 HB VAL A 62 0.499 6.006 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.019 5.820 -5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.492 5.990 -4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.869 7.382 -5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.092 6.865 -4.864 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.327 8.468 -4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.170 7.792 -3.347 1.00 0.00 H new ATOM 916 N ILE A 63 -1.818 6.299 -1.490 1.00 0.00 N ATOM 917 CA ILE A 63 -3.016 5.607 -1.018 1.00 0.00 C ATOM 918 C ILE A 63 -4.090 6.592 -0.562 1.00 0.00 C ATOM 919 O ILE A 63 -5.237 6.522 -1.007 1.00 0.00 O ATOM 920 CB ILE A 63 -2.687 4.648 0.150 1.00 0.00 C ATOM 921 CG1 ILE A 63 -1.854 3.466 -0.350 1.00 0.00 C ATOM 922 CG2 ILE A 63 -3.960 4.157 0.828 1.00 0.00 C ATOM 923 CD1 ILE A 63 -1.423 2.515 0.747 1.00 0.00 C ATOM 0 H ILE A 63 -0.957 6.002 -1.031 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.396 5.031 -1.862 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.103 5.198 0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.432 2.914 -1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.967 3.847 -0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.701 3.484 1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.515 5.009 1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.577 3.626 0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.837 1.703 0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.817 3.052 1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.304 2.104 1.239 1.00 0.00 H new ATOM 935 N GLU A 64 -3.711 7.517 0.309 1.00 0.00 N ATOM 936 CA GLU A 64 -4.664 8.456 0.884 1.00 0.00 C ATOM 937 C GLU A 64 -5.263 9.359 -0.188 1.00 0.00 C ATOM 938 O GLU A 64 -6.433 9.733 -0.112 1.00 0.00 O ATOM 939 CB GLU A 64 -4.001 9.298 1.975 1.00 0.00 C ATOM 940 CG GLU A 64 -3.470 8.476 3.141 1.00 0.00 C ATOM 941 CD GLU A 64 -2.906 9.338 4.249 1.00 0.00 C ATOM 942 OE1 GLU A 64 -1.900 10.034 4.010 1.00 0.00 O ATOM 943 OE2 GLU A 64 -3.460 9.314 5.369 1.00 0.00 O ATOM 0 H GLU A 64 -2.751 7.637 0.633 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.472 7.877 1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.179 9.864 1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.722 10.023 2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.273 7.857 3.540 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.695 7.800 2.781 1.00 0.00 H new ATOM 950 N ASP A 65 -4.470 9.673 -1.205 1.00 0.00 N ATOM 951 CA ASP A 65 -4.916 10.556 -2.282 1.00 0.00 C ATOM 952 C ASP A 65 -6.015 9.892 -3.109 1.00 0.00 C ATOM 953 O ASP A 65 -6.844 10.565 -3.720 1.00 0.00 O ATOM 954 CB ASP A 65 -3.739 10.939 -3.181 1.00 0.00 C ATOM 955 CG ASP A 65 -4.116 11.971 -4.228 1.00 0.00 C ATOM 956 OD1 ASP A 65 -4.246 13.164 -3.871 1.00 0.00 O ATOM 957 OD2 ASP A 65 -4.268 11.602 -5.410 1.00 0.00 O ATOM 0 H ASP A 65 -3.515 9.331 -1.309 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.323 11.461 -1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.929 11.330 -2.566 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.360 10.046 -3.677 1.00 0.00 H new ATOM 962 N GLN A 66 -6.031 8.567 -3.100 1.00 0.00 N ATOM 963 CA GLN A 66 -7.028 7.802 -3.839 1.00 0.00 C ATOM 964 C GLN A 66 -8.391 7.875 -3.155 1.00 0.00 C ATOM 965 O GLN A 66 -9.416 7.543 -3.755 1.00 0.00 O ATOM 966 CB GLN A 66 -6.582 6.344 -3.970 1.00 0.00 C ATOM 967 CG GLN A 66 -5.277 6.174 -4.729 1.00 0.00 C ATOM 968 CD GLN A 66 -5.364 6.706 -6.146 1.00 0.00 C ATOM 969 OE1 GLN A 66 -5.089 7.878 -6.400 1.00 0.00 O ATOM 970 NE2 GLN A 66 -5.746 5.850 -7.078 1.00 0.00 N ATOM 0 H GLN A 66 -5.361 7.995 -2.586 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.123 8.237 -4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.472 5.915 -2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.364 5.778 -4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.479 6.692 -4.197 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.009 5.118 -4.755 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.965 4.886 -6.826 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.822 6.153 -8.049 1.00 0.00 H new ATOM 979 N GLY A 67 -8.399 8.325 -1.910 1.00 0.00 N ATOM 980 CA GLY A 67 -9.636 8.416 -1.162 1.00 0.00 C ATOM 981 C GLY A 67 -9.645 7.484 0.027 1.00 0.00 C ATOM 982 O GLY A 67 -10.644 6.817 0.299 1.00 0.00 O ATOM 0 H GLY A 67 -7.568 8.630 -1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.779 9.441 -0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.474 8.178 -1.816 1.00 0.00 H new ATOM 986 N TYR A 68 -8.521 7.435 0.731 1.00 0.00 N ATOM 987 CA TYR A 68 -8.367 6.568 1.890 1.00 0.00 C ATOM 988 C TYR A 68 -7.652 7.320 3.001 1.00 0.00 C ATOM 989 O TYR A 68 -7.030 8.353 2.757 1.00 0.00 O ATOM 990 CB TYR A 68 -7.564 5.309 1.533 1.00 0.00 C ATOM 991 CG TYR A 68 -8.156 4.489 0.406 1.00 0.00 C ATOM 992 CD1 TYR A 68 -9.242 3.650 0.622 1.00 0.00 C ATOM 993 CD2 TYR A 68 -7.621 4.552 -0.872 1.00 0.00 C ATOM 994 CE1 TYR A 68 -9.778 2.898 -0.409 1.00 0.00 C ATOM 995 CE2 TYR A 68 -8.150 3.806 -1.907 1.00 0.00 C ATOM 996 CZ TYR A 68 -9.227 2.980 -1.671 1.00 0.00 C ATOM 997 OH TYR A 68 -9.756 2.237 -2.699 1.00 0.00 O ATOM 0 H TYR A 68 -7.695 7.993 0.515 1.00 0.00 H new ATOM 0 HA TYR A 68 -9.360 6.266 2.223 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.551 5.604 1.258 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.483 4.681 2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -9.675 3.584 1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -6.775 5.196 -1.061 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.623 2.251 -0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.722 3.870 -2.896 1.00 0.00 H new ATOM 0 HH TYR A 68 -9.150 1.498 -2.914 1.00 0.00 H new ATOM 1007 N ASP A 69 -7.760 6.815 4.215 1.00 0.00 N ATOM 1008 CA ASP A 69 -6.995 7.345 5.334 1.00 0.00 C ATOM 1009 C ASP A 69 -6.228 6.219 5.995 1.00 0.00 C ATOM 1010 O ASP A 69 -6.796 5.176 6.312 1.00 0.00 O ATOM 1011 CB ASP A 69 -7.901 8.047 6.352 1.00 0.00 C ATOM 1012 CG ASP A 69 -8.104 9.515 6.031 1.00 0.00 C ATOM 1013 OD1 ASP A 69 -7.289 10.345 6.492 1.00 0.00 O ATOM 1014 OD2 ASP A 69 -9.080 9.856 5.326 1.00 0.00 O ATOM 0 H ASP A 69 -8.372 6.035 4.455 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.296 8.090 4.954 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.869 7.547 6.378 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.466 7.952 7.347 1.00 0.00 H new ATOM 1019 N VAL A 70 -4.932 6.410 6.169 1.00 0.00 N ATOM 1020 CA VAL A 70 -4.077 5.361 6.697 1.00 0.00 C ATOM 1021 C VAL A 70 -3.269 5.863 7.889 1.00 0.00 C ATOM 1022 O VAL A 70 -2.495 6.812 7.773 1.00 0.00 O ATOM 1023 CB VAL A 70 -3.133 4.820 5.599 1.00 0.00 C ATOM 1024 CG1 VAL A 70 -2.093 3.882 6.185 1.00 0.00 C ATOM 1025 CG2 VAL A 70 -3.934 4.110 4.514 1.00 0.00 C ATOM 0 H VAL A 70 -4.449 7.282 5.952 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.718 4.547 7.036 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.612 5.668 5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.443 3.517 5.390 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.497 4.416 6.925 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.592 3.038 6.662 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.256 3.735 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.482 3.277 4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.638 4.810 4.064 1.00 0.00 H new ATOM 1035 N GLN A 71 -3.460 5.224 9.035 1.00 0.00 N ATOM 1036 CA GLN A 71 -2.761 5.612 10.249 1.00 0.00 C ATOM 1037 C GLN A 71 -1.640 4.624 10.545 1.00 0.00 C ATOM 1038 O GLN A 71 -1.927 3.561 11.139 1.00 0.00 O ATOM 1039 CB GLN A 71 -3.726 5.668 11.435 1.00 0.00 C ATOM 1040 CG GLN A 71 -4.974 6.497 11.180 1.00 0.00 C ATOM 1041 CD GLN A 71 -5.824 6.661 12.424 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -5.306 6.714 13.543 1.00 0.00 O ATOM 1043 NE2 GLN A 71 -7.133 6.710 12.247 1.00 0.00 N ATOM 1044 OXT GLN A 71 -0.481 4.900 10.170 1.00 0.00 O ATOM 0 H GLN A 71 -4.095 4.433 9.148 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.337 6.605 10.097 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.024 4.652 11.695 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.201 6.077 12.298 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.684 7.480 10.809 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.567 6.024 10.398 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.522 6.663 11.305 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.754 6.795 13.052 1.00 0.00 H new TER 1053 GLN A 71