USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 741 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 65 HIS : no HD1:sc= 1.53 K(o=2.2,f=-5.9!) USER MOD Set 1.2: B 95 THR OG1 : rot -90:sc= 0.707 USER MOD Set 2.1: A 28 ASN : amide:sc= -1.09 X(o=-0.69,f=-1.1) USER MOD Set 2.2: A 61 THR OG1 : rot 56:sc= 0.4 USER MOD Set 3.1: A 10 CYS SG : rot 180:sc= -0.324 USER MOD Set 3.2: A 81 THR OG1 : rot 180:sc= -0.646 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 4 MET CE :methyl 166:sc= 0 (180deg=-0.17) USER MOD Single : A 8 GLN : amide:sc= 0.0143 X(o=0.014,f=-0.044) USER MOD Single : A 14 GLN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.185 K(o=-0.19,f=-1.8!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.217 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 35:sc= 0.716 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.1! C(o=-2.1!,f=-7.9!) USER MOD Single : A 58 THR OG1 : rot 85:sc= 0.116 USER MOD Single : A 62 HIS : no HD1:sc= -0.109 K(o=-0.11,f=-0.74) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.322 K(o=-0.32,f=-2.3!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 168:sc= -0.907 (180deg=-1.09) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.33) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= -0.0179 X(o=-0.018,f=-0.058) USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.668 15.956 -16.131 1.00 0.00 N ATOM 2 CA GLY A 1 5.783 15.810 -17.108 1.00 0.00 C ATOM 3 C GLY A 1 6.915 16.792 -16.855 1.00 0.00 C ATOM 4 O GLY A 1 7.449 16.851 -15.748 1.00 0.00 O ATOM 0 H1 GLY A 1 3.923 15.264 -16.348 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.026 15.789 -15.169 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.276 16.917 -16.193 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.172 14.793 -17.060 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.398 15.957 -18.117 1.00 0.00 H new ATOM 10 N SER A 2 7.280 17.560 -17.888 1.00 0.00 N ATOM 11 CA SER A 2 8.358 18.546 -17.789 1.00 0.00 C ATOM 12 C SER A 2 9.666 17.886 -17.344 1.00 0.00 C ATOM 13 O SER A 2 10.058 17.976 -16.178 1.00 0.00 O ATOM 14 CB SER A 2 7.965 19.681 -16.832 1.00 0.00 C ATOM 15 OG SER A 2 8.979 20.673 -16.769 1.00 0.00 O ATOM 0 H SER A 2 6.840 17.515 -18.807 1.00 0.00 H new ATOM 0 HA SER A 2 8.519 18.973 -18.779 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.030 20.133 -17.164 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.787 19.275 -15.836 1.00 0.00 H new ATOM 0 HG SER A 2 8.703 21.384 -16.154 1.00 0.00 H new ATOM 21 N HIS A 3 10.332 17.220 -18.293 1.00 0.00 N ATOM 22 CA HIS A 3 11.601 16.535 -18.033 1.00 0.00 C ATOM 23 C HIS A 3 11.462 15.511 -16.900 1.00 0.00 C ATOM 24 O HIS A 3 11.889 15.756 -15.771 1.00 0.00 O ATOM 25 CB HIS A 3 12.703 17.552 -17.703 1.00 0.00 C ATOM 26 CG HIS A 3 12.941 18.564 -18.786 1.00 0.00 C ATOM 27 ND1 HIS A 3 13.604 19.754 -18.570 1.00 0.00 N ATOM 28 CD2 HIS A 3 12.604 18.558 -20.099 1.00 0.00 C ATOM 29 CE1 HIS A 3 13.662 20.436 -19.700 1.00 0.00 C ATOM 30 NE2 HIS A 3 13.062 19.732 -20.642 1.00 0.00 N ATOM 0 H HIS A 3 10.009 17.141 -19.257 1.00 0.00 H new ATOM 0 HA HIS A 3 11.880 15.996 -18.939 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.439 18.074 -16.783 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.632 17.016 -17.509 1.00 0.00 H new ATOM 0 HD2 HIS A 3 12.074 17.775 -20.621 1.00 0.00 H new ATOM 0 HE1 HIS A 3 14.122 21.404 -19.831 1.00 0.00 H new ATOM 0 HE2 HIS A 3 12.956 20.015 -21.616 1.00 0.00 H new ATOM 39 N MET A 4 10.859 14.360 -17.216 1.00 0.00 N ATOM 40 CA MET A 4 10.660 13.294 -16.232 1.00 0.00 C ATOM 41 C MET A 4 10.563 11.923 -16.907 1.00 0.00 C ATOM 42 O MET A 4 10.407 11.830 -18.126 1.00 0.00 O ATOM 43 CB MET A 4 9.395 13.560 -15.410 1.00 0.00 C ATOM 44 CG MET A 4 9.592 13.387 -13.912 1.00 0.00 C ATOM 45 SD MET A 4 9.763 14.960 -13.045 1.00 0.00 S ATOM 46 CE MET A 4 11.501 14.922 -12.614 1.00 0.00 C ATOM 0 H MET A 4 10.501 14.144 -18.146 1.00 0.00 H new ATOM 0 HA MET A 4 11.526 13.287 -15.570 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.051 14.575 -15.607 1.00 0.00 H new ATOM 0 HB3 MET A 4 8.607 12.886 -15.744 1.00 0.00 H new ATOM 0 HG2 MET A 4 8.745 12.840 -13.499 1.00 0.00 H new ATOM 0 HG3 MET A 4 10.480 12.781 -13.734 1.00 0.00 H new ATOM 0 HE1 MET A 4 11.820 15.916 -12.299 1.00 0.00 H new ATOM 0 HE2 MET A 4 11.658 14.216 -11.799 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.084 14.612 -13.481 1.00 0.00 H new ATOM 56 N GLY A 5 10.647 10.861 -16.100 1.00 0.00 N ATOM 57 CA GLY A 5 10.564 9.507 -16.628 1.00 0.00 C ATOM 58 C GLY A 5 10.408 8.458 -15.536 1.00 0.00 C ATOM 59 O GLY A 5 11.361 8.166 -14.811 1.00 0.00 O ATOM 0 H GLY A 5 10.771 10.917 -15.089 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.719 9.440 -17.313 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.462 9.292 -17.207 1.00 0.00 H new ATOM 63 N LEU A 6 9.200 7.896 -15.419 1.00 0.00 N ATOM 64 CA LEU A 6 8.912 6.875 -14.408 1.00 0.00 C ATOM 65 C LEU A 6 8.105 5.720 -15.005 1.00 0.00 C ATOM 66 O LEU A 6 7.305 5.923 -15.921 1.00 0.00 O ATOM 67 CB LEU A 6 8.140 7.493 -13.237 1.00 0.00 C ATOM 68 CG LEU A 6 8.938 8.469 -12.367 1.00 0.00 C ATOM 69 CD1 LEU A 6 8.883 9.876 -12.946 1.00 0.00 C ATOM 70 CD2 LEU A 6 8.415 8.458 -10.937 1.00 0.00 C ATOM 0 H LEU A 6 8.405 8.132 -16.013 1.00 0.00 H new ATOM 0 HA LEU A 6 9.863 6.482 -14.048 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.269 8.015 -13.633 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.769 6.688 -12.603 1.00 0.00 H new ATOM 0 HG LEU A 6 9.979 8.146 -12.356 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.456 10.553 -12.312 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.307 9.873 -13.950 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.847 10.211 -12.990 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.993 9.157 -10.333 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.366 8.755 -10.931 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.511 7.455 -10.522 1.00 0.00 H new ATOM 82 N VAL A 7 8.313 4.511 -14.474 1.00 0.00 N ATOM 83 CA VAL A 7 7.600 3.325 -14.953 1.00 0.00 C ATOM 84 C VAL A 7 6.708 2.733 -13.858 1.00 0.00 C ATOM 85 O VAL A 7 7.172 2.440 -12.753 1.00 0.00 O ATOM 86 CB VAL A 7 8.576 2.241 -15.473 1.00 0.00 C ATOM 87 CG1 VAL A 7 9.509 1.764 -14.367 1.00 0.00 C ATOM 88 CG2 VAL A 7 7.812 1.067 -16.072 1.00 0.00 C ATOM 0 H VAL A 7 8.968 4.329 -13.714 1.00 0.00 H new ATOM 0 HA VAL A 7 6.972 3.650 -15.783 1.00 0.00 H new ATOM 0 HB VAL A 7 9.185 2.691 -16.257 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.182 1.003 -14.762 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.092 2.606 -13.994 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.921 1.341 -13.553 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.518 0.318 -16.431 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.169 0.625 -15.311 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.201 1.417 -16.904 1.00 0.00 H new ATOM 98 N GLN A 8 5.423 2.560 -14.177 1.00 0.00 N ATOM 99 CA GLN A 8 4.461 2.006 -13.227 1.00 0.00 C ATOM 100 C GLN A 8 4.219 0.518 -13.485 1.00 0.00 C ATOM 101 O GLN A 8 4.278 0.059 -14.629 1.00 0.00 O ATOM 102 CB GLN A 8 3.135 2.779 -13.292 1.00 0.00 C ATOM 103 CG GLN A 8 2.416 2.675 -14.630 1.00 0.00 C ATOM 104 CD GLN A 8 1.294 1.651 -14.615 1.00 0.00 C ATOM 105 OE1 GLN A 8 0.247 1.871 -14.005 1.00 0.00 O ATOM 106 NE2 GLN A 8 1.506 0.524 -15.286 1.00 0.00 N ATOM 0 H GLN A 8 5.027 2.796 -15.087 1.00 0.00 H new ATOM 0 HA GLN A 8 4.882 2.111 -12.227 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.474 2.410 -12.508 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.329 3.830 -13.078 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.008 3.650 -14.896 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.135 2.408 -15.404 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.388 0.382 -15.778 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.787 -0.199 -15.309 1.00 0.00 H new ATOM 115 N ARG A 9 3.951 -0.228 -12.412 1.00 0.00 N ATOM 116 CA ARG A 9 3.704 -1.666 -12.508 1.00 0.00 C ATOM 117 C ARG A 9 2.746 -2.141 -11.411 1.00 0.00 C ATOM 118 O ARG A 9 2.654 -1.528 -10.346 1.00 0.00 O ATOM 119 CB ARG A 9 5.025 -2.430 -12.404 1.00 0.00 C ATOM 120 CG ARG A 9 5.071 -3.695 -13.245 1.00 0.00 C ATOM 121 CD ARG A 9 6.490 -4.229 -13.368 1.00 0.00 C ATOM 122 NE ARG A 9 6.737 -4.828 -14.679 1.00 0.00 N ATOM 123 CZ ARG A 9 7.954 -5.049 -15.184 1.00 0.00 C ATOM 124 NH1 ARG A 9 9.043 -4.735 -14.487 1.00 0.00 N ATOM 125 NH2 ARG A 9 8.081 -5.589 -16.391 1.00 0.00 N ATOM 0 H ARG A 9 3.900 0.143 -11.463 1.00 0.00 H new ATOM 0 HA ARG A 9 3.241 -1.864 -13.475 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.839 -1.772 -12.709 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.201 -2.692 -11.361 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.432 -4.456 -12.796 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.671 -3.488 -14.238 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.199 -3.418 -13.200 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.667 -4.972 -12.590 1.00 0.00 H new ATOM 0 HE ARG A 9 5.930 -5.094 -15.243 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.953 -4.322 -13.559 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.968 -4.907 -14.881 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.250 -5.834 -16.930 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.009 -5.759 -16.779 1.00 0.00 H new ATOM 139 N CYS A 10 2.041 -3.242 -11.680 1.00 0.00 N ATOM 140 CA CYS A 10 1.096 -3.807 -10.718 1.00 0.00 C ATOM 141 C CYS A 10 1.772 -4.860 -9.841 1.00 0.00 C ATOM 142 O CYS A 10 2.263 -5.875 -10.340 1.00 0.00 O ATOM 143 CB CYS A 10 -0.101 -4.426 -11.446 1.00 0.00 C ATOM 144 SG CYS A 10 -1.573 -4.615 -10.414 1.00 0.00 S ATOM 0 H CYS A 10 2.108 -3.759 -12.557 1.00 0.00 H new ATOM 0 HA CYS A 10 0.744 -2.998 -10.078 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.351 -3.805 -12.306 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.188 -5.404 -11.832 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.531 -5.143 -11.117 1.00 0.00 H new ATOM 150 N VAL A 11 1.792 -4.613 -8.532 1.00 0.00 N ATOM 151 CA VAL A 11 2.404 -5.538 -7.582 1.00 0.00 C ATOM 152 C VAL A 11 1.333 -6.229 -6.738 1.00 0.00 C ATOM 153 O VAL A 11 0.436 -5.576 -6.205 1.00 0.00 O ATOM 154 CB VAL A 11 3.400 -4.809 -6.651 1.00 0.00 C ATOM 155 CG1 VAL A 11 4.131 -5.799 -5.757 1.00 0.00 C ATOM 156 CG2 VAL A 11 4.393 -3.990 -7.466 1.00 0.00 C ATOM 0 H VAL A 11 1.390 -3.778 -8.105 1.00 0.00 H new ATOM 0 HA VAL A 11 2.948 -6.286 -8.159 1.00 0.00 H new ATOM 0 HB VAL A 11 2.833 -4.130 -6.013 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.826 -5.262 -5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.409 -6.338 -5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.683 -6.508 -6.374 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.086 -3.484 -6.794 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.950 -4.650 -8.131 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.855 -3.249 -8.057 1.00 0.00 H new ATOM 166 N ILE A 12 1.436 -7.552 -6.617 1.00 0.00 N ATOM 167 CA ILE A 12 0.474 -8.326 -5.836 1.00 0.00 C ATOM 168 C ILE A 12 0.991 -8.549 -4.416 1.00 0.00 C ATOM 169 O ILE A 12 1.951 -9.291 -4.204 1.00 0.00 O ATOM 170 CB ILE A 12 0.176 -9.697 -6.492 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.227 -9.522 -7.963 1.00 0.00 C ATOM 172 CG2 ILE A 12 -0.922 -10.426 -5.726 1.00 0.00 C ATOM 173 CD1 ILE A 12 0.952 -9.385 -8.904 1.00 0.00 C ATOM 0 H ILE A 12 2.174 -8.108 -7.049 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.451 -7.750 -5.803 1.00 0.00 H new ATOM 0 HB ILE A 12 1.086 -10.297 -6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.828 -10.378 -8.270 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.859 -8.639 -8.055 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.119 -11.388 -6.200 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.602 -10.588 -4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.831 -9.825 -5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.590 -9.265 -9.925 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.542 -8.513 -8.623 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.573 -10.279 -8.842 1.00 0.00 H new ATOM 185 N ILE A 13 0.340 -7.903 -3.450 1.00 0.00 N ATOM 186 CA ILE A 13 0.723 -8.023 -2.045 1.00 0.00 C ATOM 187 C ILE A 13 -0.054 -9.150 -1.365 1.00 0.00 C ATOM 188 O ILE A 13 -1.285 -9.162 -1.383 1.00 0.00 O ATOM 189 CB ILE A 13 0.481 -6.704 -1.273 1.00 0.00 C ATOM 190 CG1 ILE A 13 1.085 -5.509 -2.024 1.00 0.00 C ATOM 191 CG2 ILE A 13 1.063 -6.796 0.130 1.00 0.00 C ATOM 192 CD1 ILE A 13 0.865 -4.181 -1.327 1.00 0.00 C ATOM 0 H ILE A 13 -0.458 -7.289 -3.616 1.00 0.00 H new ATOM 0 HA ILE A 13 1.789 -8.250 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.595 -6.549 -1.197 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.156 -5.672 -2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.652 -5.462 -3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.885 -5.860 0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.586 -7.615 0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.136 -6.979 0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.318 -3.382 -1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.204 -3.995 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.323 -4.209 -0.338 1.00 0.00 H new ATOM 204 N GLN A 14 0.677 -10.090 -0.766 1.00 0.00 N ATOM 205 CA GLN A 14 0.068 -11.225 -0.072 1.00 0.00 C ATOM 206 C GLN A 14 0.329 -11.144 1.432 1.00 0.00 C ATOM 207 O GLN A 14 1.461 -11.326 1.878 1.00 0.00 O ATOM 208 CB GLN A 14 0.629 -12.540 -0.621 1.00 0.00 C ATOM 209 CG GLN A 14 0.016 -12.965 -1.945 1.00 0.00 C ATOM 210 CD GLN A 14 -0.191 -14.465 -2.040 1.00 0.00 C ATOM 211 OE1 GLN A 14 0.476 -15.146 -2.818 1.00 0.00 O ATOM 212 NE2 GLN A 14 -1.118 -14.990 -1.245 1.00 0.00 N ATOM 0 H GLN A 14 1.697 -10.087 -0.748 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.008 -11.191 -0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.707 -12.440 -0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.466 -13.328 0.114 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.942 -12.461 -2.076 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.661 -12.639 -2.761 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.649 -14.389 -0.614 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.298 -15.994 -1.266 1.00 0.00 H new ATOM 221 N LYS A 15 -0.721 -10.873 2.210 1.00 0.00 N ATOM 222 CA LYS A 15 -0.596 -10.773 3.667 1.00 0.00 C ATOM 223 C LYS A 15 -0.178 -12.113 4.274 1.00 0.00 C ATOM 224 O LYS A 15 -0.717 -13.161 3.915 1.00 0.00 O ATOM 225 CB LYS A 15 -1.919 -10.306 4.286 1.00 0.00 C ATOM 226 CG LYS A 15 -1.871 -10.116 5.798 1.00 0.00 C ATOM 227 CD LYS A 15 -3.218 -10.422 6.443 1.00 0.00 C ATOM 228 CE LYS A 15 -4.247 -9.335 6.152 1.00 0.00 C ATOM 229 NZ LYS A 15 -5.220 -9.164 7.271 1.00 0.00 N ATOM 0 H LYS A 15 -1.666 -10.719 1.857 1.00 0.00 H new ATOM 0 HA LYS A 15 0.178 -10.039 3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.211 -9.364 3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.695 -11.033 4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.107 -10.766 6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.581 -9.091 6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.587 -11.379 6.076 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.090 -10.522 7.521 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.734 -8.390 5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.787 -9.584 5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.900 -8.415 7.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.730 -10.057 7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.709 -8.901 8.138 1.00 0.00 H new ATOM 243 N ASP A 16 0.791 -12.066 5.190 1.00 0.00 N ATOM 244 CA ASP A 16 1.298 -13.271 5.852 1.00 0.00 C ATOM 245 C ASP A 16 0.900 -13.298 7.334 1.00 0.00 C ATOM 246 O ASP A 16 0.187 -12.410 7.808 1.00 0.00 O ATOM 247 CB ASP A 16 2.824 -13.333 5.712 1.00 0.00 C ATOM 248 CG ASP A 16 3.326 -14.724 5.377 1.00 0.00 C ATOM 249 OD1 ASP A 16 2.775 -15.350 4.445 1.00 0.00 O ATOM 250 OD2 ASP A 16 4.275 -15.186 6.041 1.00 0.00 O ATOM 0 H ASP A 16 1.243 -11.203 5.492 1.00 0.00 H new ATOM 0 HA ASP A 16 0.854 -14.142 5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.142 -12.640 4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.284 -13.000 6.642 1.00 0.00 H new ATOM 255 N ASP A 17 1.364 -14.321 8.061 1.00 0.00 N ATOM 256 CA ASP A 17 1.058 -14.463 9.490 1.00 0.00 C ATOM 257 C ASP A 17 1.565 -13.266 10.295 1.00 0.00 C ATOM 258 O ASP A 17 0.959 -12.883 11.298 1.00 0.00 O ATOM 259 CB ASP A 17 1.655 -15.765 10.042 1.00 0.00 C ATOM 260 CG ASP A 17 3.174 -15.761 10.099 1.00 0.00 C ATOM 261 OD1 ASP A 17 3.811 -15.332 9.115 1.00 0.00 O ATOM 262 OD2 ASP A 17 3.728 -16.191 11.134 1.00 0.00 O ATOM 0 H ASP A 17 1.953 -15.063 7.683 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.027 -14.500 9.592 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.262 -15.939 11.044 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.325 -16.598 9.421 1.00 0.00 H new ATOM 267 N ASN A 18 2.672 -12.674 9.848 1.00 0.00 N ATOM 268 CA ASN A 18 3.246 -11.517 10.524 1.00 0.00 C ATOM 269 C ASN A 18 2.763 -10.204 9.888 1.00 0.00 C ATOM 270 O ASN A 18 3.317 -9.137 10.160 1.00 0.00 O ATOM 271 CB ASN A 18 4.778 -11.590 10.491 1.00 0.00 C ATOM 272 CG ASN A 18 5.420 -10.804 11.619 1.00 0.00 C ATOM 273 OD1 ASN A 18 4.732 -10.280 12.497 1.00 0.00 O ATOM 274 ND2 ASN A 18 6.744 -10.713 11.604 1.00 0.00 N ATOM 0 H ASN A 18 3.187 -12.978 9.022 1.00 0.00 H new ATOM 0 HA ASN A 18 2.911 -11.532 11.561 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.091 -12.632 10.555 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.137 -11.207 9.535 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.228 -10.195 12.337 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.278 -11.161 10.859 1.00 0.00 H new ATOM 281 N GLY A 19 1.725 -10.285 9.045 1.00 0.00 N ATOM 282 CA GLY A 19 1.191 -9.097 8.399 1.00 0.00 C ATOM 283 C GLY A 19 1.943 -8.730 7.131 1.00 0.00 C ATOM 284 O GLY A 19 2.561 -9.590 6.498 1.00 0.00 O ATOM 0 H GLY A 19 1.249 -11.154 8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.140 -9.260 8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.232 -8.260 9.096 1.00 0.00 H new ATOM 288 N PHE A 20 1.890 -7.449 6.763 1.00 0.00 N ATOM 289 CA PHE A 20 2.574 -6.961 5.564 1.00 0.00 C ATOM 290 C PHE A 20 4.030 -6.618 5.878 1.00 0.00 C ATOM 291 O PHE A 20 4.940 -7.004 5.142 1.00 0.00 O ATOM 292 CB PHE A 20 1.862 -5.726 4.992 1.00 0.00 C ATOM 293 CG PHE A 20 0.418 -5.965 4.638 1.00 0.00 C ATOM 294 CD1 PHE A 20 -0.570 -5.888 5.607 1.00 0.00 C ATOM 295 CD2 PHE A 20 0.051 -6.266 3.335 1.00 0.00 C ATOM 296 CE1 PHE A 20 -1.896 -6.102 5.283 1.00 0.00 C ATOM 297 CE2 PHE A 20 -1.274 -6.482 3.006 1.00 0.00 C ATOM 298 CZ PHE A 20 -2.248 -6.402 3.982 1.00 0.00 C ATOM 0 H PHE A 20 1.381 -6.731 7.278 1.00 0.00 H new ATOM 0 HA PHE A 20 2.549 -7.756 4.819 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.919 -4.916 5.720 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.394 -5.392 4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.300 -5.658 6.627 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.809 -6.332 2.569 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.657 -6.035 6.047 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.547 -6.713 1.987 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.284 -6.574 3.728 1.00 0.00 H new ATOM 308 N GLY A 21 4.238 -5.895 6.980 1.00 0.00 N ATOM 309 CA GLY A 21 5.579 -5.514 7.386 1.00 0.00 C ATOM 310 C GLY A 21 6.188 -4.447 6.494 1.00 0.00 C ATOM 311 O GLY A 21 7.307 -4.607 6.006 1.00 0.00 O ATOM 0 H GLY A 21 3.497 -5.567 7.599 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.552 -5.149 8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.220 -6.396 7.378 1.00 0.00 H new ATOM 315 N LEU A 22 5.453 -3.354 6.280 1.00 0.00 N ATOM 316 CA LEU A 22 5.936 -2.258 5.442 1.00 0.00 C ATOM 317 C LEU A 22 5.371 -0.916 5.907 1.00 0.00 C ATOM 318 O LEU A 22 4.263 -0.849 6.439 1.00 0.00 O ATOM 319 CB LEU A 22 5.571 -2.506 3.973 1.00 0.00 C ATOM 320 CG LEU A 22 4.073 -2.635 3.682 1.00 0.00 C ATOM 321 CD1 LEU A 22 3.483 -1.283 3.308 1.00 0.00 C ATOM 322 CD2 LEU A 22 3.829 -3.652 2.576 1.00 0.00 C ATOM 0 H LEU A 22 4.524 -3.206 6.675 1.00 0.00 H new ATOM 0 HA LEU A 22 7.021 -2.219 5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.971 -1.688 3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.068 -3.418 3.641 1.00 0.00 H new ATOM 0 HG LEU A 22 3.576 -2.987 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.418 -1.394 3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.624 -0.584 4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.984 -0.901 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.759 -3.730 2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.339 -3.331 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.214 -4.624 2.884 1.00 0.00 H new ATOM 334 N THR A 23 6.146 0.147 5.702 1.00 0.00 N ATOM 335 CA THR A 23 5.735 1.494 6.093 1.00 0.00 C ATOM 336 C THR A 23 5.398 2.333 4.861 1.00 0.00 C ATOM 337 O THR A 23 6.128 2.307 3.870 1.00 0.00 O ATOM 338 CB THR A 23 6.848 2.173 6.899 1.00 0.00 C ATOM 339 OG1 THR A 23 7.452 1.258 7.800 1.00 0.00 O ATOM 340 CG2 THR A 23 6.369 3.362 7.706 1.00 0.00 C ATOM 0 H THR A 23 7.067 0.101 5.265 1.00 0.00 H new ATOM 0 HA THR A 23 4.843 1.414 6.714 1.00 0.00 H new ATOM 0 HB THR A 23 7.563 2.524 6.155 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.160 1.713 8.302 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.208 3.794 8.251 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.948 4.111 7.035 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.605 3.038 8.413 1.00 0.00 H new ATOM 348 N VAL A 24 4.291 3.072 4.927 1.00 0.00 N ATOM 349 CA VAL A 24 3.864 3.914 3.808 1.00 0.00 C ATOM 350 C VAL A 24 3.494 5.328 4.260 1.00 0.00 C ATOM 351 O VAL A 24 3.003 5.535 5.370 1.00 0.00 O ATOM 352 CB VAL A 24 2.665 3.298 3.052 1.00 0.00 C ATOM 353 CG1 VAL A 24 3.083 2.023 2.337 1.00 0.00 C ATOM 354 CG2 VAL A 24 1.501 3.029 3.997 1.00 0.00 C ATOM 0 H VAL A 24 3.675 3.105 5.740 1.00 0.00 H new ATOM 0 HA VAL A 24 4.720 3.972 3.135 1.00 0.00 H new ATOM 0 HB VAL A 24 2.330 4.018 2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.226 1.603 1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.873 2.250 1.621 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.450 1.301 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.671 2.596 3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.817 2.334 4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.181 3.965 4.455 1.00 0.00 H new ATOM 364 N SER A 25 3.735 6.297 3.380 1.00 0.00 N ATOM 365 CA SER A 25 3.432 7.696 3.665 1.00 0.00 C ATOM 366 C SER A 25 2.802 8.368 2.446 1.00 0.00 C ATOM 367 O SER A 25 2.894 7.853 1.332 1.00 0.00 O ATOM 368 CB SER A 25 4.705 8.439 4.076 1.00 0.00 C ATOM 369 OG SER A 25 4.730 8.668 5.475 1.00 0.00 O ATOM 0 H SER A 25 4.142 6.137 2.458 1.00 0.00 H new ATOM 0 HA SER A 25 2.719 7.734 4.489 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.580 7.858 3.783 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.762 9.390 3.547 1.00 0.00 H new ATOM 0 HG SER A 25 5.553 9.142 5.714 1.00 0.00 H new ATOM 375 N GLY A 26 2.153 9.511 2.659 1.00 0.00 N ATOM 376 CA GLY A 26 1.512 10.218 1.559 1.00 0.00 C ATOM 377 C GLY A 26 0.070 9.786 1.367 1.00 0.00 C ATOM 378 O GLY A 26 -0.492 9.103 2.224 1.00 0.00 O ATOM 0 H GLY A 26 2.059 9.960 3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.547 11.291 1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.069 10.039 0.640 1.00 0.00 H new ATOM 382 N ASP A 27 -0.538 10.178 0.246 1.00 0.00 N ATOM 383 CA ASP A 27 -1.925 9.807 -0.024 1.00 0.00 C ATOM 384 C ASP A 27 -2.123 9.366 -1.473 1.00 0.00 C ATOM 385 O ASP A 27 -2.118 8.166 -1.751 1.00 0.00 O ATOM 386 CB ASP A 27 -2.871 10.960 0.331 1.00 0.00 C ATOM 387 CG ASP A 27 -4.321 10.649 0.004 1.00 0.00 C ATOM 388 OD1 ASP A 27 -4.811 9.578 0.424 1.00 0.00 O ATOM 389 OD2 ASP A 27 -4.965 11.476 -0.674 1.00 0.00 O ATOM 0 H ASP A 27 -0.098 10.744 -0.479 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.166 8.953 0.609 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.782 11.183 1.394 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.565 11.856 -0.210 1.00 0.00 H new ATOM 394 N ASN A 28 -2.296 10.318 -2.399 1.00 0.00 N ATOM 395 CA ASN A 28 -2.485 9.965 -3.809 1.00 0.00 C ATOM 396 C ASN A 28 -1.384 8.995 -4.238 1.00 0.00 C ATOM 397 O ASN A 28 -1.663 7.848 -4.585 1.00 0.00 O ATOM 398 CB ASN A 28 -2.491 11.212 -4.701 1.00 0.00 C ATOM 399 CG ASN A 28 -3.871 11.521 -5.255 1.00 0.00 C ATOM 400 OD1 ASN A 28 -4.094 11.452 -6.464 1.00 0.00 O ATOM 401 ND2 ASN A 28 -4.804 11.865 -4.374 1.00 0.00 N ATOM 0 H ASN A 28 -2.309 11.319 -2.202 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.456 9.483 -3.923 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.133 12.067 -4.128 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.795 11.068 -5.527 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.748 12.084 -4.691 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.576 11.910 -3.381 1.00 0.00 H new ATOM 408 N PRO A 29 -0.111 9.432 -4.180 1.00 0.00 N ATOM 409 CA PRO A 29 1.032 8.604 -4.517 1.00 0.00 C ATOM 410 C PRO A 29 1.626 7.964 -3.263 1.00 0.00 C ATOM 411 O PRO A 29 2.733 8.315 -2.846 1.00 0.00 O ATOM 412 CB PRO A 29 1.989 9.631 -5.110 1.00 0.00 C ATOM 413 CG PRO A 29 1.728 10.886 -4.330 1.00 0.00 C ATOM 414 CD PRO A 29 0.334 10.769 -3.748 1.00 0.00 C ATOM 0 HA PRO A 29 0.802 7.774 -5.184 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.026 9.311 -5.010 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.802 9.779 -6.174 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.467 11.008 -3.538 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.804 11.762 -4.974 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.345 10.856 -2.662 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.325 11.552 -4.124 1.00 0.00 H new ATOM 422 N VAL A 30 0.873 7.046 -2.644 1.00 0.00 N ATOM 423 CA VAL A 30 1.332 6.392 -1.410 1.00 0.00 C ATOM 424 C VAL A 30 2.767 5.888 -1.574 1.00 0.00 C ATOM 425 O VAL A 30 3.032 5.005 -2.386 1.00 0.00 O ATOM 426 CB VAL A 30 0.425 5.215 -0.983 1.00 0.00 C ATOM 427 CG1 VAL A 30 0.837 4.695 0.388 1.00 0.00 C ATOM 428 CG2 VAL A 30 -1.040 5.629 -0.976 1.00 0.00 C ATOM 0 H VAL A 30 -0.044 6.742 -2.971 1.00 0.00 H new ATOM 0 HA VAL A 30 1.286 7.148 -0.626 1.00 0.00 H new ATOM 0 HB VAL A 30 0.547 4.413 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.188 3.867 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.870 4.350 0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.748 5.495 1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.656 4.783 -0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.182 6.451 -0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.332 5.950 -1.976 1.00 0.00 H new ATOM 438 N PHE A 31 3.696 6.466 -0.818 1.00 0.00 N ATOM 439 CA PHE A 31 5.100 6.082 -0.914 1.00 0.00 C ATOM 440 C PHE A 31 5.501 5.115 0.198 1.00 0.00 C ATOM 441 O PHE A 31 5.361 5.418 1.384 1.00 0.00 O ATOM 442 CB PHE A 31 5.989 7.327 -0.865 1.00 0.00 C ATOM 443 CG PHE A 31 7.155 7.280 -1.814 1.00 0.00 C ATOM 444 CD1 PHE A 31 8.224 6.429 -1.581 1.00 0.00 C ATOM 445 CD2 PHE A 31 7.182 8.089 -2.938 1.00 0.00 C ATOM 446 CE1 PHE A 31 9.296 6.387 -2.451 1.00 0.00 C ATOM 447 CE2 PHE A 31 8.253 8.052 -3.812 1.00 0.00 C ATOM 448 CZ PHE A 31 9.310 7.200 -3.568 1.00 0.00 C ATOM 0 H PHE A 31 3.503 7.199 -0.135 1.00 0.00 H new ATOM 0 HA PHE A 31 5.237 5.570 -1.867 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.383 8.204 -1.093 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.364 7.454 0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.219 5.791 -0.709 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.356 8.757 -3.134 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.123 5.719 -2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.262 8.689 -4.684 1.00 0.00 H new ATOM 0 HZ PHE A 31 10.147 7.168 -4.249 1.00 0.00 H new ATOM 458 N VAL A 32 6.020 3.958 -0.206 1.00 0.00 N ATOM 459 CA VAL A 32 6.471 2.940 0.735 1.00 0.00 C ATOM 460 C VAL A 32 7.901 3.237 1.174 1.00 0.00 C ATOM 461 O VAL A 32 8.822 3.228 0.357 1.00 0.00 O ATOM 462 CB VAL A 32 6.413 1.526 0.111 1.00 0.00 C ATOM 463 CG1 VAL A 32 6.758 0.463 1.146 1.00 0.00 C ATOM 464 CG2 VAL A 32 5.043 1.258 -0.499 1.00 0.00 C ATOM 0 H VAL A 32 6.138 3.703 -1.186 1.00 0.00 H new ATOM 0 HA VAL A 32 5.803 2.964 1.596 1.00 0.00 H new ATOM 0 HB VAL A 32 7.155 1.479 -0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.711 -0.523 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.765 0.638 1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.046 0.513 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.027 0.258 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.279 1.331 0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.841 1.993 -1.278 1.00 0.00 H new ATOM 474 N GLN A 33 8.077 3.512 2.464 1.00 0.00 N ATOM 475 CA GLN A 33 9.394 3.826 3.011 1.00 0.00 C ATOM 476 C GLN A 33 10.225 2.556 3.212 1.00 0.00 C ATOM 477 O GLN A 33 11.236 2.359 2.537 1.00 0.00 O ATOM 478 CB GLN A 33 9.248 4.584 4.337 1.00 0.00 C ATOM 479 CG GLN A 33 10.567 5.082 4.911 1.00 0.00 C ATOM 480 CD GLN A 33 11.088 6.316 4.196 1.00 0.00 C ATOM 481 OE1 GLN A 33 10.360 7.290 4.004 1.00 0.00 O ATOM 482 NE2 GLN A 33 12.356 6.282 3.800 1.00 0.00 N ATOM 0 H GLN A 33 7.323 3.524 3.151 1.00 0.00 H new ATOM 0 HA GLN A 33 9.917 4.460 2.296 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.584 5.435 4.186 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.769 3.931 5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.436 5.308 5.969 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.310 4.288 4.845 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.924 5.454 3.980 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.761 7.084 3.317 1.00 0.00 H new ATOM 491 N SER A 34 9.794 1.702 4.140 1.00 0.00 N ATOM 492 CA SER A 34 10.504 0.456 4.423 1.00 0.00 C ATOM 493 C SER A 34 9.597 -0.754 4.222 1.00 0.00 C ATOM 494 O SER A 34 8.389 -0.680 4.449 1.00 0.00 O ATOM 495 CB SER A 34 11.045 0.464 5.855 1.00 0.00 C ATOM 496 OG SER A 34 12.237 -0.300 5.951 1.00 0.00 O ATOM 0 H SER A 34 8.959 1.850 4.707 1.00 0.00 H new ATOM 0 HA SER A 34 11.337 0.382 3.724 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.240 1.490 6.169 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.294 0.060 6.534 1.00 0.00 H new ATOM 0 HG SER A 34 12.565 -0.279 6.874 1.00 0.00 H new ATOM 502 N VAL A 35 10.191 -1.870 3.800 1.00 0.00 N ATOM 503 CA VAL A 35 9.445 -3.105 3.573 1.00 0.00 C ATOM 504 C VAL A 35 10.209 -4.310 4.110 1.00 0.00 C ATOM 505 O VAL A 35 11.440 -4.300 4.168 1.00 0.00 O ATOM 506 CB VAL A 35 9.141 -3.331 2.074 1.00 0.00 C ATOM 507 CG1 VAL A 35 7.952 -2.489 1.638 1.00 0.00 C ATOM 508 CG2 VAL A 35 10.360 -3.025 1.212 1.00 0.00 C ATOM 0 H VAL A 35 11.190 -1.943 3.608 1.00 0.00 H new ATOM 0 HA VAL A 35 8.501 -3.000 4.108 1.00 0.00 H new ATOM 0 HB VAL A 35 8.890 -4.383 1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.753 -2.661 0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.075 -2.767 2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.175 -1.434 1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.115 -3.193 0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.654 -1.985 1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.184 -3.678 1.502 1.00 0.00 H new ATOM 518 N LYS A 36 9.473 -5.348 4.501 1.00 0.00 N ATOM 519 CA LYS A 36 10.081 -6.565 5.032 1.00 0.00 C ATOM 520 C LYS A 36 10.872 -7.292 3.947 1.00 0.00 C ATOM 521 O LYS A 36 10.309 -8.064 3.168 1.00 0.00 O ATOM 522 CB LYS A 36 9.004 -7.491 5.610 1.00 0.00 C ATOM 523 CG LYS A 36 9.062 -7.629 7.123 1.00 0.00 C ATOM 524 CD LYS A 36 8.470 -8.951 7.586 1.00 0.00 C ATOM 525 CE LYS A 36 7.981 -8.873 9.023 1.00 0.00 C ATOM 526 NZ LYS A 36 9.108 -8.753 9.992 1.00 0.00 N ATOM 0 H LYS A 36 8.454 -5.370 4.460 1.00 0.00 H new ATOM 0 HA LYS A 36 10.768 -6.283 5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.022 -7.112 5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.107 -8.478 5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.097 -7.556 7.456 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.519 -6.804 7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.642 -9.228 6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.220 -9.737 7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.316 -8.017 9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.396 -9.763 9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.730 -8.703 10.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.730 -9.582 9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.651 -7.890 9.787 1.00 0.00 H new ATOM 540 N GLU A 37 12.182 -7.038 3.905 1.00 0.00 N ATOM 541 CA GLU A 37 13.063 -7.664 2.915 1.00 0.00 C ATOM 542 C GLU A 37 12.923 -9.189 2.928 1.00 0.00 C ATOM 543 O GLU A 37 13.057 -9.839 1.890 1.00 0.00 O ATOM 544 CB GLU A 37 14.528 -7.269 3.155 1.00 0.00 C ATOM 545 CG GLU A 37 15.003 -7.466 4.589 1.00 0.00 C ATOM 546 CD GLU A 37 14.992 -6.185 5.407 1.00 0.00 C ATOM 547 OE1 GLU A 37 15.490 -5.152 4.910 1.00 0.00 O ATOM 548 OE2 GLU A 37 14.488 -6.218 6.550 1.00 0.00 O ATOM 0 H GLU A 37 12.657 -6.402 4.546 1.00 0.00 H new ATOM 0 HA GLU A 37 12.758 -7.300 1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.164 -7.854 2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.659 -6.222 2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.368 -8.206 5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.014 -7.873 4.577 1.00 0.00 H new ATOM 555 N ASP A 38 12.645 -9.752 4.108 1.00 0.00 N ATOM 556 CA ASP A 38 12.479 -11.197 4.255 1.00 0.00 C ATOM 557 C ASP A 38 11.033 -11.546 4.623 1.00 0.00 C ATOM 558 O ASP A 38 10.784 -12.475 5.396 1.00 0.00 O ATOM 559 CB ASP A 38 13.449 -11.740 5.318 1.00 0.00 C ATOM 560 CG ASP A 38 13.154 -11.220 6.718 1.00 0.00 C ATOM 561 OD1 ASP A 38 13.122 -9.985 6.903 1.00 0.00 O ATOM 562 OD2 ASP A 38 12.961 -12.052 7.631 1.00 0.00 O ATOM 0 H ASP A 38 12.531 -9.226 4.975 1.00 0.00 H new ATOM 0 HA ASP A 38 12.709 -11.666 3.298 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.400 -12.829 5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.468 -11.468 5.043 1.00 0.00 H new ATOM 567 N GLY A 39 10.079 -10.799 4.060 1.00 0.00 N ATOM 568 CA GLY A 39 8.676 -11.045 4.343 1.00 0.00 C ATOM 569 C GLY A 39 7.786 -10.846 3.131 1.00 0.00 C ATOM 570 O GLY A 39 8.273 -10.606 2.022 1.00 0.00 O ATOM 0 H GLY A 39 10.256 -10.030 3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.558 -12.064 4.711 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.349 -10.378 5.141 1.00 0.00 H new ATOM 574 N ALA A 40 6.473 -10.944 3.351 1.00 0.00 N ATOM 575 CA ALA A 40 5.484 -10.780 2.284 1.00 0.00 C ATOM 576 C ALA A 40 5.702 -9.493 1.488 1.00 0.00 C ATOM 577 O ALA A 40 5.524 -9.478 0.271 1.00 0.00 O ATOM 578 CB ALA A 40 4.076 -10.805 2.860 1.00 0.00 C ATOM 0 H ALA A 40 6.068 -11.138 4.267 1.00 0.00 H new ATOM 0 HA ALA A 40 5.610 -11.616 1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.351 -10.682 2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.904 -11.758 3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.962 -9.993 3.578 1.00 0.00 H new ATOM 584 N ALA A 41 6.081 -8.414 2.179 1.00 0.00 N ATOM 585 CA ALA A 41 6.316 -7.126 1.524 1.00 0.00 C ATOM 586 C ALA A 41 7.291 -7.274 0.357 1.00 0.00 C ATOM 587 O ALA A 41 6.964 -6.937 -0.782 1.00 0.00 O ATOM 588 CB ALA A 41 6.835 -6.102 2.526 1.00 0.00 C ATOM 0 H ALA A 41 6.231 -8.407 3.188 1.00 0.00 H new ATOM 0 HA ALA A 41 5.365 -6.772 1.127 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.004 -5.151 2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.101 -5.965 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.772 -6.456 2.955 1.00 0.00 H new ATOM 594 N MET A 42 8.483 -7.793 0.646 1.00 0.00 N ATOM 595 CA MET A 42 9.498 -7.997 -0.383 1.00 0.00 C ATOM 596 C MET A 42 9.134 -9.185 -1.274 1.00 0.00 C ATOM 597 O MET A 42 9.348 -9.144 -2.486 1.00 0.00 O ATOM 598 CB MET A 42 10.869 -8.219 0.256 1.00 0.00 C ATOM 599 CG MET A 42 12.029 -8.058 -0.715 1.00 0.00 C ATOM 600 SD MET A 42 12.645 -9.638 -1.327 1.00 0.00 S ATOM 601 CE MET A 42 14.214 -9.140 -2.033 1.00 0.00 C ATOM 0 H MET A 42 8.768 -8.079 1.583 1.00 0.00 H new ATOM 0 HA MET A 42 9.540 -7.101 -1.002 1.00 0.00 H new ATOM 0 HB2 MET A 42 10.995 -7.515 1.079 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.902 -9.220 0.685 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.710 -7.445 -1.558 1.00 0.00 H new ATOM 0 HG3 MET A 42 12.840 -7.523 -0.221 1.00 0.00 H new ATOM 0 HE1 MET A 42 14.717 -10.011 -2.453 1.00 0.00 H new ATOM 0 HE2 MET A 42 14.042 -8.405 -2.820 1.00 0.00 H new ATOM 0 HE3 MET A 42 14.839 -8.700 -1.256 1.00 0.00 H new ATOM 611 N ARG A 43 8.578 -10.241 -0.669 1.00 0.00 N ATOM 612 CA ARG A 43 8.179 -11.432 -1.422 1.00 0.00 C ATOM 613 C ARG A 43 7.171 -11.080 -2.517 1.00 0.00 C ATOM 614 O ARG A 43 7.175 -11.682 -3.591 1.00 0.00 O ATOM 615 CB ARG A 43 7.577 -12.488 -0.487 1.00 0.00 C ATOM 616 CG ARG A 43 7.998 -13.911 -0.822 1.00 0.00 C ATOM 617 CD ARG A 43 6.801 -14.783 -1.175 1.00 0.00 C ATOM 618 NE ARG A 43 6.656 -14.959 -2.622 1.00 0.00 N ATOM 619 CZ ARG A 43 5.948 -15.939 -3.192 1.00 0.00 C ATOM 620 NH1 ARG A 43 5.298 -16.828 -2.446 1.00 0.00 N ATOM 621 NH2 ARG A 43 5.884 -16.027 -4.515 1.00 0.00 N ATOM 0 H ARG A 43 8.396 -10.294 0.333 1.00 0.00 H new ATOM 0 HA ARG A 43 9.075 -11.840 -1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.871 -12.263 0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.490 -12.421 -0.529 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.697 -13.897 -1.658 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.526 -14.344 0.028 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.911 -15.758 -0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.894 -14.333 -0.772 1.00 0.00 H new ATOM 0 HE ARG A 43 7.125 -14.291 -3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.337 -16.766 -1.429 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.761 -17.572 -2.891 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.375 -15.347 -5.096 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.344 -16.775 -4.951 1.00 0.00 H new ATOM 635 N ALA A 44 6.306 -10.102 -2.236 1.00 0.00 N ATOM 636 CA ALA A 44 5.290 -9.670 -3.195 1.00 0.00 C ATOM 637 C ALA A 44 5.886 -8.816 -4.320 1.00 0.00 C ATOM 638 O ALA A 44 5.241 -8.600 -5.348 1.00 0.00 O ATOM 639 CB ALA A 44 4.194 -8.895 -2.479 1.00 0.00 C ATOM 0 H ALA A 44 6.290 -9.595 -1.351 1.00 0.00 H new ATOM 0 HA ALA A 44 4.868 -10.566 -3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.442 -8.577 -3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.729 -9.533 -1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.625 -8.019 -1.995 1.00 0.00 H new ATOM 645 N GLY A 45 7.114 -8.332 -4.123 1.00 0.00 N ATOM 646 CA GLY A 45 7.764 -7.507 -5.129 1.00 0.00 C ATOM 647 C GLY A 45 7.829 -6.035 -4.743 1.00 0.00 C ATOM 648 O GLY A 45 8.092 -5.182 -5.591 1.00 0.00 O ATOM 0 H GLY A 45 7.669 -8.498 -3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.775 -7.878 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.228 -7.606 -6.073 1.00 0.00 H new ATOM 652 N VAL A 46 7.599 -5.734 -3.460 1.00 0.00 N ATOM 653 CA VAL A 46 7.642 -4.356 -2.977 1.00 0.00 C ATOM 654 C VAL A 46 9.018 -4.033 -2.403 1.00 0.00 C ATOM 655 O VAL A 46 9.478 -4.692 -1.469 1.00 0.00 O ATOM 656 CB VAL A 46 6.568 -4.092 -1.898 1.00 0.00 C ATOM 657 CG1 VAL A 46 6.473 -2.605 -1.591 1.00 0.00 C ATOM 658 CG2 VAL A 46 5.216 -4.637 -2.337 1.00 0.00 C ATOM 0 H VAL A 46 7.382 -6.426 -2.742 1.00 0.00 H new ATOM 0 HA VAL A 46 7.438 -3.712 -3.832 1.00 0.00 H new ATOM 0 HB VAL A 46 6.864 -4.612 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.712 -2.439 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.436 -2.247 -1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.204 -2.063 -2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.475 -4.440 -1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.911 -4.150 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.293 -5.712 -2.501 1.00 0.00 H new ATOM 668 N GLN A 47 9.671 -3.022 -2.971 1.00 0.00 N ATOM 669 CA GLN A 47 10.998 -2.614 -2.520 1.00 0.00 C ATOM 670 C GLN A 47 10.920 -1.375 -1.632 1.00 0.00 C ATOM 671 O GLN A 47 9.876 -0.722 -1.551 1.00 0.00 O ATOM 672 CB GLN A 47 11.911 -2.340 -3.721 1.00 0.00 C ATOM 673 CG GLN A 47 11.876 -3.430 -4.784 1.00 0.00 C ATOM 674 CD GLN A 47 12.988 -3.284 -5.807 1.00 0.00 C ATOM 675 OE1 GLN A 47 13.823 -4.174 -5.962 1.00 0.00 O ATOM 676 NE2 GLN A 47 13.005 -2.156 -6.511 1.00 0.00 N ATOM 0 H GLN A 47 9.302 -2.470 -3.745 1.00 0.00 H new ATOM 0 HA GLN A 47 11.417 -3.431 -1.933 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.622 -1.393 -4.176 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.935 -2.224 -3.367 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.956 -4.405 -4.302 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.913 -3.404 -5.294 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.293 -1.444 -6.350 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.730 -2.003 -7.212 1.00 0.00 H new ATOM 685 N THR A 48 12.031 -1.052 -0.969 1.00 0.00 N ATOM 686 CA THR A 48 12.086 0.112 -0.090 1.00 0.00 C ATOM 687 C THR A 48 12.168 1.401 -0.909 1.00 0.00 C ATOM 688 O THR A 48 13.196 1.691 -1.527 1.00 0.00 O ATOM 689 CB THR A 48 13.286 0.017 0.861 1.00 0.00 C ATOM 690 OG1 THR A 48 14.502 -0.052 0.135 1.00 0.00 O ATOM 691 CG2 THR A 48 13.235 -1.185 1.784 1.00 0.00 C ATOM 0 H THR A 48 12.902 -1.580 -1.025 1.00 0.00 H new ATOM 0 HA THR A 48 11.172 0.131 0.503 1.00 0.00 H new ATOM 0 HB THR A 48 13.238 0.921 1.468 1.00 0.00 H new ATOM 0 HG1 THR A 48 14.430 0.492 -0.677 1.00 0.00 H new ATOM 0 HG21 THR A 48 14.115 -1.187 2.427 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.336 -1.134 2.399 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.217 -2.099 1.190 1.00 0.00 H new ATOM 699 N GLY A 49 11.078 2.165 -0.912 1.00 0.00 N ATOM 700 CA GLY A 49 11.039 3.410 -1.659 1.00 0.00 C ATOM 701 C GLY A 49 10.263 3.288 -2.958 1.00 0.00 C ATOM 702 O GLY A 49 10.819 3.494 -4.039 1.00 0.00 O ATOM 0 H GLY A 49 10.219 1.943 -0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.586 4.186 -1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.058 3.730 -1.877 1.00 0.00 H new ATOM 706 N ASP A 50 8.977 2.952 -2.854 1.00 0.00 N ATOM 707 CA ASP A 50 8.124 2.800 -4.032 1.00 0.00 C ATOM 708 C ASP A 50 6.908 3.724 -3.956 1.00 0.00 C ATOM 709 O ASP A 50 6.498 4.133 -2.872 1.00 0.00 O ATOM 710 CB ASP A 50 7.670 1.344 -4.170 1.00 0.00 C ATOM 711 CG ASP A 50 8.526 0.561 -5.146 1.00 0.00 C ATOM 712 OD1 ASP A 50 8.345 0.738 -6.371 1.00 0.00 O ATOM 713 OD2 ASP A 50 9.378 -0.231 -4.689 1.00 0.00 O ATOM 0 H ASP A 50 8.504 2.780 -1.967 1.00 0.00 H new ATOM 0 HA ASP A 50 8.707 3.078 -4.910 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.704 0.862 -3.193 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.632 1.320 -4.501 1.00 0.00 H new ATOM 718 N ARG A 51 6.335 4.051 -5.117 1.00 0.00 N ATOM 719 CA ARG A 51 5.165 4.930 -5.180 1.00 0.00 C ATOM 720 C ARG A 51 3.904 4.139 -5.533 1.00 0.00 C ATOM 721 O ARG A 51 3.947 3.241 -6.368 1.00 0.00 O ATOM 722 CB ARG A 51 5.390 6.035 -6.216 1.00 0.00 C ATOM 723 CG ARG A 51 5.093 7.431 -5.695 1.00 0.00 C ATOM 724 CD ARG A 51 4.948 8.434 -6.830 1.00 0.00 C ATOM 725 NE ARG A 51 6.244 8.923 -7.303 1.00 0.00 N ATOM 726 CZ ARG A 51 6.980 9.835 -6.662 1.00 0.00 C ATOM 727 NH1 ARG A 51 6.559 10.358 -5.513 1.00 0.00 N ATOM 728 NH2 ARG A 51 8.144 10.224 -7.172 1.00 0.00 N ATOM 0 H ARG A 51 6.662 3.721 -6.025 1.00 0.00 H new ATOM 0 HA ARG A 51 5.027 5.380 -4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.425 5.996 -6.556 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.761 5.840 -7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.176 7.413 -5.106 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.894 7.749 -5.028 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.413 7.969 -7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.344 9.277 -6.493 1.00 0.00 H new ATOM 0 HE ARG A 51 6.608 8.544 -8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.668 10.063 -5.115 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.128 11.054 -5.031 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.474 9.826 -8.051 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.707 10.920 -6.684 1.00 0.00 H new ATOM 742 N ILE A 52 2.784 4.478 -4.897 1.00 0.00 N ATOM 743 CA ILE A 52 1.517 3.794 -5.153 1.00 0.00 C ATOM 744 C ILE A 52 0.577 4.672 -5.974 1.00 0.00 C ATOM 745 O ILE A 52 0.263 5.803 -5.583 1.00 0.00 O ATOM 746 CB ILE A 52 0.822 3.367 -3.833 1.00 0.00 C ATOM 747 CG1 ILE A 52 0.712 1.844 -3.747 1.00 0.00 C ATOM 748 CG2 ILE A 52 -0.563 3.998 -3.689 1.00 0.00 C ATOM 749 CD1 ILE A 52 -0.192 1.374 -2.629 1.00 0.00 C ATOM 0 H ILE A 52 2.728 5.222 -4.201 1.00 0.00 H new ATOM 0 HA ILE A 52 1.748 2.895 -5.724 1.00 0.00 H new ATOM 0 HB ILE A 52 1.443 3.728 -3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.337 1.459 -4.695 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.707 1.422 -3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.015 3.673 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.470 5.084 -3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.193 3.687 -4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.227 0.285 -2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.195 1.730 -1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.196 1.768 -2.783 1.00 0.00 H new ATOM 761 N ILE A 53 0.125 4.128 -7.100 1.00 0.00 N ATOM 762 CA ILE A 53 -0.793 4.827 -7.989 1.00 0.00 C ATOM 763 C ILE A 53 -2.220 4.295 -7.821 1.00 0.00 C ATOM 764 O ILE A 53 -3.185 5.060 -7.903 1.00 0.00 O ATOM 765 CB ILE A 53 -0.362 4.690 -9.468 1.00 0.00 C ATOM 766 CG1 ILE A 53 1.133 5.000 -9.626 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.196 5.606 -10.354 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.516 6.409 -9.215 1.00 0.00 C ATOM 0 H ILE A 53 0.384 3.195 -7.420 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.767 5.882 -7.717 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.533 3.660 -9.782 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.706 4.290 -9.030 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.418 4.846 -10.667 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.879 5.496 -11.391 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.249 5.338 -10.266 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.058 6.641 -10.040 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.588 6.550 -9.356 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.972 7.127 -9.828 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.264 6.563 -8.166 1.00 0.00 H new ATOM 780 N LYS A 54 -2.350 2.983 -7.581 1.00 0.00 N ATOM 781 CA LYS A 54 -3.668 2.362 -7.396 1.00 0.00 C ATOM 782 C LYS A 54 -3.595 1.160 -6.447 1.00 0.00 C ATOM 783 O LYS A 54 -2.519 0.606 -6.215 1.00 0.00 O ATOM 784 CB LYS A 54 -4.248 1.918 -8.744 1.00 0.00 C ATOM 785 CG LYS A 54 -4.342 3.028 -9.782 1.00 0.00 C ATOM 786 CD LYS A 54 -4.630 2.471 -11.167 1.00 0.00 C ATOM 787 CE LYS A 54 -5.812 3.169 -11.824 1.00 0.00 C ATOM 788 NZ LYS A 54 -6.454 2.317 -12.863 1.00 0.00 N ATOM 0 H LYS A 54 -1.565 2.336 -7.511 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.321 3.112 -6.951 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.631 1.113 -9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.243 1.505 -8.580 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.129 3.727 -9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.408 3.590 -9.801 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.746 2.584 -11.795 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.834 1.403 -11.094 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.548 3.430 -11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.477 4.102 -12.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.254 2.829 -13.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.759 2.089 -13.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.797 1.437 -12.427 1.00 0.00 H new ATOM 802 N VAL A 55 -4.753 0.759 -5.905 1.00 0.00 N ATOM 803 CA VAL A 55 -4.829 -0.379 -4.987 1.00 0.00 C ATOM 804 C VAL A 55 -5.990 -1.313 -5.349 1.00 0.00 C ATOM 805 O VAL A 55 -7.157 -0.918 -5.295 1.00 0.00 O ATOM 806 CB VAL A 55 -4.978 0.087 -3.519 1.00 0.00 C ATOM 807 CG1 VAL A 55 -3.730 0.831 -3.069 1.00 0.00 C ATOM 808 CG2 VAL A 55 -6.219 0.957 -3.344 1.00 0.00 C ATOM 0 H VAL A 55 -5.650 1.209 -6.089 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.892 -0.927 -5.087 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.098 -0.796 -2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.851 1.152 -2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.866 0.171 -3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.578 1.704 -3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.300 1.271 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.140 1.836 -3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.105 0.386 -3.621 1.00 0.00 H new ATOM 818 N ASN A 56 -5.653 -2.551 -5.727 1.00 0.00 N ATOM 819 CA ASN A 56 -6.645 -3.558 -6.114 1.00 0.00 C ATOM 820 C ASN A 56 -7.568 -3.036 -7.218 1.00 0.00 C ATOM 821 O ASN A 56 -8.793 -3.145 -7.129 1.00 0.00 O ATOM 822 CB ASN A 56 -7.455 -4.015 -4.891 1.00 0.00 C ATOM 823 CG ASN A 56 -7.414 -5.523 -4.702 1.00 0.00 C ATOM 824 OD1 ASN A 56 -6.475 -6.192 -5.145 1.00 0.00 O ATOM 825 ND2 ASN A 56 -8.426 -6.069 -4.038 1.00 0.00 N ATOM 0 H ASN A 56 -4.689 -2.881 -5.773 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.110 -4.420 -6.514 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.065 -3.528 -3.997 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.490 -3.693 -5.003 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.447 -7.076 -3.878 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.183 -5.481 -3.688 1.00 0.00 H new ATOM 832 N GLY A 57 -6.961 -2.470 -8.265 1.00 0.00 N ATOM 833 CA GLY A 57 -7.727 -1.935 -9.381 1.00 0.00 C ATOM 834 C GLY A 57 -8.617 -0.765 -8.983 1.00 0.00 C ATOM 835 O GLY A 57 -9.668 -0.548 -9.589 1.00 0.00 O ATOM 0 H GLY A 57 -5.950 -2.373 -8.358 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.041 -1.613 -10.165 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.345 -2.727 -9.804 1.00 0.00 H new ATOM 839 N THR A 58 -8.199 -0.013 -7.963 1.00 0.00 N ATOM 840 CA THR A 58 -8.966 1.134 -7.484 1.00 0.00 C ATOM 841 C THR A 58 -8.086 2.380 -7.426 1.00 0.00 C ATOM 842 O THR A 58 -7.036 2.379 -6.783 1.00 0.00 O ATOM 843 CB THR A 58 -9.559 0.836 -6.099 1.00 0.00 C ATOM 844 OG1 THR A 58 -10.043 -0.495 -6.031 1.00 0.00 O ATOM 845 CG2 THR A 58 -10.703 1.753 -5.723 1.00 0.00 C ATOM 0 H THR A 58 -7.331 -0.180 -7.453 1.00 0.00 H new ATOM 0 HA THR A 58 -9.782 1.320 -8.182 1.00 0.00 H new ATOM 0 HB THR A 58 -8.738 0.996 -5.400 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.308 -1.099 -5.794 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.073 1.486 -4.733 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.354 2.785 -5.713 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.507 1.649 -6.451 1.00 0.00 H new ATOM 853 N LEU A 59 -8.519 3.441 -8.106 1.00 0.00 N ATOM 854 CA LEU A 59 -7.769 4.698 -8.140 1.00 0.00 C ATOM 855 C LEU A 59 -7.681 5.315 -6.748 1.00 0.00 C ATOM 856 O LEU A 59 -8.706 5.579 -6.116 1.00 0.00 O ATOM 857 CB LEU A 59 -8.425 5.696 -9.104 1.00 0.00 C ATOM 858 CG LEU A 59 -8.795 5.134 -10.479 1.00 0.00 C ATOM 859 CD1 LEU A 59 -10.298 4.920 -10.582 1.00 0.00 C ATOM 860 CD2 LEU A 59 -8.309 6.065 -11.583 1.00 0.00 C ATOM 0 H LEU A 59 -9.387 3.456 -8.642 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.762 4.474 -8.492 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.328 6.088 -8.636 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.748 6.538 -9.245 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.303 4.169 -10.601 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.542 4.520 -11.566 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.619 4.216 -9.814 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.812 5.871 -10.439 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.580 5.651 -12.554 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.773 7.044 -11.464 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.226 6.167 -11.522 1.00 0.00 H new ATOM 872 N VAL A 60 -6.455 5.556 -6.276 1.00 0.00 N ATOM 873 CA VAL A 60 -6.254 6.155 -4.957 1.00 0.00 C ATOM 874 C VAL A 60 -6.110 7.677 -5.050 1.00 0.00 C ATOM 875 O VAL A 60 -5.355 8.287 -4.289 1.00 0.00 O ATOM 876 CB VAL A 60 -5.022 5.566 -4.225 1.00 0.00 C ATOM 877 CG1 VAL A 60 -5.283 4.127 -3.808 1.00 0.00 C ATOM 878 CG2 VAL A 60 -3.766 5.662 -5.083 1.00 0.00 C ATOM 0 H VAL A 60 -5.595 5.347 -6.783 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.144 5.913 -4.376 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.854 6.160 -3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.406 3.732 -3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.141 4.093 -3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.489 3.524 -4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.921 5.240 -4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.915 5.107 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.563 6.707 -5.315 1.00 0.00 H new ATOM 888 N THR A 61 -6.848 8.290 -5.978 1.00 0.00 N ATOM 889 CA THR A 61 -6.807 9.740 -6.156 1.00 0.00 C ATOM 890 C THR A 61 -7.921 10.427 -5.360 1.00 0.00 C ATOM 891 O THR A 61 -7.783 11.586 -4.963 1.00 0.00 O ATOM 892 CB THR A 61 -6.907 10.105 -7.643 1.00 0.00 C ATOM 893 OG1 THR A 61 -6.726 11.498 -7.833 1.00 0.00 O ATOM 894 CG2 THR A 61 -8.229 9.727 -8.281 1.00 0.00 C ATOM 0 H THR A 61 -7.479 7.805 -6.616 1.00 0.00 H new ATOM 0 HA THR A 61 -5.850 10.097 -5.774 1.00 0.00 H new ATOM 0 HB THR A 61 -6.117 9.529 -8.125 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.869 11.773 -7.445 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.222 10.017 -9.332 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.376 8.650 -8.203 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.041 10.242 -7.768 1.00 0.00 H new ATOM 902 N HIS A 62 -9.022 9.704 -5.126 1.00 0.00 N ATOM 903 CA HIS A 62 -10.153 10.243 -4.376 1.00 0.00 C ATOM 904 C HIS A 62 -10.445 9.391 -3.135 1.00 0.00 C ATOM 905 O HIS A 62 -11.594 9.041 -2.861 1.00 0.00 O ATOM 906 CB HIS A 62 -11.397 10.333 -5.274 1.00 0.00 C ATOM 907 CG HIS A 62 -11.895 9.011 -5.792 1.00 0.00 C ATOM 908 ND1 HIS A 62 -11.226 8.265 -6.742 1.00 0.00 N ATOM 909 CD2 HIS A 62 -13.012 8.307 -5.485 1.00 0.00 C ATOM 910 CE1 HIS A 62 -11.908 7.162 -6.995 1.00 0.00 C ATOM 911 NE2 HIS A 62 -12.994 7.163 -6.246 1.00 0.00 N ATOM 0 H HIS A 62 -9.150 8.744 -5.447 1.00 0.00 H new ATOM 0 HA HIS A 62 -9.892 11.247 -4.041 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -12.199 10.814 -4.714 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -11.170 10.978 -6.123 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -13.774 8.592 -4.775 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -11.625 6.391 -7.696 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -13.706 6.432 -6.234 1.00 0.00 H new ATOM 920 N SER A 63 -9.390 9.057 -2.391 1.00 0.00 N ATOM 921 CA SER A 63 -9.525 8.237 -1.187 1.00 0.00 C ATOM 922 C SER A 63 -8.869 8.902 0.026 1.00 0.00 C ATOM 923 O SER A 63 -7.888 9.633 -0.108 1.00 0.00 O ATOM 924 CB SER A 63 -8.904 6.860 -1.427 1.00 0.00 C ATOM 925 OG SER A 63 -9.759 6.044 -2.212 1.00 0.00 O ATOM 0 H SER A 63 -8.433 9.342 -2.601 1.00 0.00 H new ATOM 0 HA SER A 63 -10.588 8.129 -0.972 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.943 6.973 -1.929 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.709 6.374 -0.471 1.00 0.00 H new ATOM 0 HG SER A 63 -9.339 5.170 -2.353 1.00 0.00 H new ATOM 931 N ASN A 64 -9.427 8.636 1.211 1.00 0.00 N ATOM 932 CA ASN A 64 -8.912 9.198 2.461 1.00 0.00 C ATOM 933 C ASN A 64 -7.894 8.256 3.114 1.00 0.00 C ATOM 934 O ASN A 64 -7.633 7.162 2.611 1.00 0.00 O ATOM 935 CB ASN A 64 -10.069 9.471 3.434 1.00 0.00 C ATOM 936 CG ASN A 64 -10.504 10.930 3.439 1.00 0.00 C ATOM 937 OD1 ASN A 64 -9.760 11.814 3.016 1.00 0.00 O ATOM 938 ND2 ASN A 64 -11.716 11.189 3.923 1.00 0.00 N ATOM 0 H ASN A 64 -10.240 8.031 1.330 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.408 10.136 2.226 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.919 8.844 3.165 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.766 9.183 4.441 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.059 12.149 3.953 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.302 10.427 4.264 1.00 0.00 H new ATOM 945 N HIS A 65 -7.325 8.694 4.243 1.00 0.00 N ATOM 946 CA HIS A 65 -6.336 7.902 4.979 1.00 0.00 C ATOM 947 C HIS A 65 -6.911 6.540 5.380 1.00 0.00 C ATOM 948 O HIS A 65 -6.461 5.502 4.892 1.00 0.00 O ATOM 949 CB HIS A 65 -5.866 8.677 6.221 1.00 0.00 C ATOM 950 CG HIS A 65 -4.938 7.910 7.113 1.00 0.00 C ATOM 951 ND1 HIS A 65 -5.368 6.935 7.987 1.00 0.00 N ATOM 952 CD2 HIS A 65 -3.595 7.986 7.268 1.00 0.00 C ATOM 953 CE1 HIS A 65 -4.334 6.442 8.638 1.00 0.00 C ATOM 954 NE2 HIS A 65 -3.241 7.059 8.219 1.00 0.00 N ATOM 0 H HIS A 65 -7.535 9.597 4.668 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.481 7.723 4.327 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.367 9.591 5.897 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.740 8.978 6.799 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.926 8.651 6.742 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.372 5.665 9.387 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.293 6.877 8.547 1.00 0.00 H new ATOM 963 N LEU A 66 -7.908 6.553 6.269 1.00 0.00 N ATOM 964 CA LEU A 66 -8.550 5.318 6.734 1.00 0.00 C ATOM 965 C LEU A 66 -9.123 4.518 5.560 1.00 0.00 C ATOM 966 O LEU A 66 -9.180 3.290 5.610 1.00 0.00 O ATOM 967 CB LEU A 66 -9.666 5.629 7.745 1.00 0.00 C ATOM 968 CG LEU A 66 -9.794 4.647 8.923 1.00 0.00 C ATOM 969 CD1 LEU A 66 -10.195 3.259 8.439 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.499 4.580 9.722 1.00 0.00 C ATOM 0 H LEU A 66 -8.289 7.404 6.682 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.786 4.716 7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.499 6.629 8.146 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.617 5.654 7.212 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.581 5.019 9.579 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.278 2.586 9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.155 3.316 7.927 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.439 2.881 7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.617 3.879 10.548 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.689 4.245 9.074 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.263 5.569 10.116 1.00 0.00 H new ATOM 982 N GLU A 67 -9.548 5.220 4.505 1.00 0.00 N ATOM 983 CA GLU A 67 -10.113 4.565 3.325 1.00 0.00 C ATOM 984 C GLU A 67 -9.119 3.585 2.702 1.00 0.00 C ATOM 985 O GLU A 67 -9.461 2.432 2.435 1.00 0.00 O ATOM 986 CB GLU A 67 -10.536 5.604 2.283 1.00 0.00 C ATOM 987 CG GLU A 67 -11.964 6.096 2.452 1.00 0.00 C ATOM 988 CD GLU A 67 -12.865 5.667 1.311 1.00 0.00 C ATOM 989 OE1 GLU A 67 -12.936 6.402 0.303 1.00 0.00 O ATOM 990 OE2 GLU A 67 -13.494 4.594 1.423 1.00 0.00 O ATOM 0 H GLU A 67 -9.511 6.238 4.445 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.990 4.005 3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.859 6.456 2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.425 5.173 1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.367 5.717 3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.964 7.184 2.522 1.00 0.00 H new ATOM 997 N VAL A 68 -7.892 4.051 2.466 1.00 0.00 N ATOM 998 CA VAL A 68 -6.858 3.208 1.866 1.00 0.00 C ATOM 999 C VAL A 68 -6.541 2.000 2.746 1.00 0.00 C ATOM 1000 O VAL A 68 -6.577 0.861 2.279 1.00 0.00 O ATOM 1001 CB VAL A 68 -5.553 3.992 1.599 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -4.567 3.136 0.815 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -5.842 5.294 0.860 1.00 0.00 C ATOM 0 H VAL A 68 -7.591 5.002 2.680 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.262 2.865 0.913 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.104 4.242 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.654 3.704 0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.330 2.239 1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.010 2.852 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.908 5.827 0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.319 5.072 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.506 5.914 1.462 1.00 0.00 H new ATOM 1013 N VAL A 69 -6.232 2.250 4.019 1.00 0.00 N ATOM 1014 CA VAL A 69 -5.908 1.170 4.951 1.00 0.00 C ATOM 1015 C VAL A 69 -7.067 0.174 5.075 1.00 0.00 C ATOM 1016 O VAL A 69 -6.844 -1.037 5.119 1.00 0.00 O ATOM 1017 CB VAL A 69 -5.521 1.713 6.349 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -6.663 2.498 6.976 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -5.077 0.581 7.263 1.00 0.00 C ATOM 0 H VAL A 69 -6.199 3.185 4.426 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.044 0.648 4.540 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.683 2.397 6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.358 2.865 7.956 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.918 3.343 6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.533 1.850 7.086 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.810 0.985 8.239 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.891 -0.135 7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.212 0.081 6.828 1.00 0.00 H new ATOM 1029 N LYS A 70 -8.300 0.687 5.114 1.00 0.00 N ATOM 1030 CA LYS A 70 -9.487 -0.165 5.217 1.00 0.00 C ATOM 1031 C LYS A 70 -9.614 -1.079 3.997 1.00 0.00 C ATOM 1032 O LYS A 70 -9.960 -2.253 4.128 1.00 0.00 O ATOM 1033 CB LYS A 70 -10.750 0.693 5.363 1.00 0.00 C ATOM 1034 CG LYS A 70 -11.978 -0.086 5.811 1.00 0.00 C ATOM 1035 CD LYS A 70 -13.262 0.570 5.324 1.00 0.00 C ATOM 1036 CE LYS A 70 -13.822 -0.136 4.097 1.00 0.00 C ATOM 1037 NZ LYS A 70 -15.012 -0.971 4.427 1.00 0.00 N ATOM 0 H LYS A 70 -8.502 1.686 5.076 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.377 -0.789 6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.555 1.489 6.082 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.964 1.172 4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.922 -1.106 5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.992 -0.152 6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.004 0.556 6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.069 1.616 5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.096 0.605 3.346 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.049 -0.765 3.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.362 -1.434 3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.745 -1.695 5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.760 -0.367 4.824 1.00 0.00 H new ATOM 1051 N LEU A 71 -9.332 -0.533 2.812 1.00 0.00 N ATOM 1052 CA LEU A 71 -9.413 -1.302 1.570 1.00 0.00 C ATOM 1053 C LEU A 71 -8.339 -2.387 1.527 1.00 0.00 C ATOM 1054 O LEU A 71 -8.631 -3.543 1.219 1.00 0.00 O ATOM 1055 CB LEU A 71 -9.276 -0.374 0.354 1.00 0.00 C ATOM 1056 CG LEU A 71 -9.623 -1.007 -0.999 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -10.123 0.050 -1.975 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -8.415 -1.736 -1.573 1.00 0.00 C ATOM 0 H LEU A 71 -9.046 0.438 2.687 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.390 -1.785 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.919 0.493 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.250 -0.007 0.312 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.421 -1.733 -0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.364 -0.420 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.016 0.526 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.348 0.801 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.680 -2.179 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.596 -1.030 -1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.103 -2.522 -0.885 1.00 0.00 H new ATOM 1070 N ILE A 72 -7.098 -2.012 1.843 1.00 0.00 N ATOM 1071 CA ILE A 72 -5.990 -2.968 1.841 1.00 0.00 C ATOM 1072 C ILE A 72 -6.173 -4.012 2.941 1.00 0.00 C ATOM 1073 O ILE A 72 -5.923 -5.199 2.725 1.00 0.00 O ATOM 1074 CB ILE A 72 -4.620 -2.271 2.014 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -4.446 -1.157 0.975 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -3.485 -3.284 1.898 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -4.449 -1.650 -0.457 1.00 0.00 C ATOM 0 H ILE A 72 -6.836 -1.061 2.102 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.000 -3.459 0.868 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.587 -1.825 3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.247 -0.428 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.508 -0.636 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.529 -2.775 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.595 -4.044 2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.519 -3.758 0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.321 -0.805 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.631 -2.356 -0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.397 -2.145 -0.670 1.00 0.00 H new ATOM 1089 N LYS A 73 -6.618 -3.567 4.118 1.00 0.00 N ATOM 1090 CA LYS A 73 -6.847 -4.473 5.244 1.00 0.00 C ATOM 1091 C LYS A 73 -8.016 -5.420 4.962 1.00 0.00 C ATOM 1092 O LYS A 73 -8.043 -6.543 5.467 1.00 0.00 O ATOM 1093 CB LYS A 73 -7.116 -3.684 6.529 1.00 0.00 C ATOM 1094 CG LYS A 73 -5.858 -3.161 7.207 1.00 0.00 C ATOM 1095 CD LYS A 73 -6.189 -2.453 8.512 1.00 0.00 C ATOM 1096 CE LYS A 73 -4.932 -1.978 9.226 1.00 0.00 C ATOM 1097 NZ LYS A 73 -4.361 -3.029 10.113 1.00 0.00 N ATOM 0 H LYS A 73 -6.826 -2.588 4.315 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.943 -5.068 5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.768 -2.842 6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.656 -4.322 7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.176 -3.989 7.402 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.341 -2.473 6.538 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.837 -1.600 8.310 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.744 -3.129 9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.186 -1.682 8.488 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.164 -1.092 9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.408 -2.745 10.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.971 -3.149 10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.304 -3.928 9.594 1.00 0.00 H new ATOM 1111 N SER A 74 -8.982 -4.961 4.159 1.00 0.00 N ATOM 1112 CA SER A 74 -10.148 -5.775 3.820 1.00 0.00 C ATOM 1113 C SER A 74 -9.789 -6.838 2.779 1.00 0.00 C ATOM 1114 O SER A 74 -10.238 -6.781 1.631 1.00 0.00 O ATOM 1115 CB SER A 74 -11.284 -4.886 3.303 1.00 0.00 C ATOM 1116 OG SER A 74 -12.509 -5.600 3.253 1.00 0.00 O ATOM 0 H SER A 74 -8.977 -4.034 3.735 1.00 0.00 H new ATOM 0 HA SER A 74 -10.483 -6.284 4.724 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.393 -4.016 3.951 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.035 -4.514 2.309 1.00 0.00 H new ATOM 0 HG SER A 74 -13.218 -5.010 2.921 1.00 0.00 H new ATOM 1122 N GLY A 75 -8.970 -7.802 3.194 1.00 0.00 N ATOM 1123 CA GLY A 75 -8.548 -8.866 2.301 1.00 0.00 C ATOM 1124 C GLY A 75 -7.136 -9.336 2.599 1.00 0.00 C ATOM 1125 O GLY A 75 -6.298 -8.549 3.045 1.00 0.00 O ATOM 0 H GLY A 75 -8.590 -7.864 4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.236 -9.707 2.390 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.603 -8.516 1.270 1.00 0.00 H new ATOM 1129 N SER A 76 -6.869 -10.619 2.359 1.00 0.00 N ATOM 1130 CA SER A 76 -5.545 -11.183 2.612 1.00 0.00 C ATOM 1131 C SER A 76 -4.516 -10.615 1.637 1.00 0.00 C ATOM 1132 O SER A 76 -3.563 -9.954 2.048 1.00 0.00 O ATOM 1133 CB SER A 76 -5.586 -12.709 2.511 1.00 0.00 C ATOM 1134 OG SER A 76 -6.485 -13.258 3.462 1.00 0.00 O ATOM 0 H SER A 76 -7.549 -11.285 1.991 1.00 0.00 H new ATOM 0 HA SER A 76 -5.246 -10.907 3.623 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.890 -13.002 1.506 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.587 -13.115 2.673 1.00 0.00 H new ATOM 0 HG SER A 76 -6.495 -14.234 3.377 1.00 0.00 H new ATOM 1140 N TYR A 77 -4.717 -10.868 0.345 1.00 0.00 N ATOM 1141 CA TYR A 77 -3.805 -10.369 -0.680 1.00 0.00 C ATOM 1142 C TYR A 77 -4.532 -9.444 -1.654 1.00 0.00 C ATOM 1143 O TYR A 77 -5.731 -9.599 -1.894 1.00 0.00 O ATOM 1144 CB TYR A 77 -3.146 -11.531 -1.432 1.00 0.00 C ATOM 1145 CG TYR A 77 -4.106 -12.359 -2.254 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -4.934 -13.298 -1.654 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -4.188 -12.197 -3.632 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -5.811 -14.056 -2.400 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.062 -12.951 -4.386 1.00 0.00 C ATOM 1150 CZ TYR A 77 -5.875 -13.877 -3.766 1.00 0.00 C ATOM 1151 OH TYR A 77 -6.752 -14.628 -4.515 1.00 0.00 O ATOM 0 H TYR A 77 -5.500 -11.413 -0.015 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.024 -9.793 -0.184 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.373 -11.132 -2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.649 -12.180 -0.711 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.890 -13.437 -0.584 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -3.557 -11.469 -4.120 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.444 -14.786 -1.918 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.110 -12.817 -5.457 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.673 -14.378 -5.459 1.00 0.00 H new ATOM 1161 N VAL A 78 -3.797 -8.474 -2.202 1.00 0.00 N ATOM 1162 CA VAL A 78 -4.371 -7.510 -3.141 1.00 0.00 C ATOM 1163 C VAL A 78 -3.329 -7.016 -4.147 1.00 0.00 C ATOM 1164 O VAL A 78 -2.145 -6.905 -3.823 1.00 0.00 O ATOM 1165 CB VAL A 78 -4.965 -6.292 -2.399 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -6.320 -6.634 -1.794 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -4.006 -5.800 -1.323 1.00 0.00 C ATOM 0 H VAL A 78 -2.804 -8.336 -2.012 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.165 -8.031 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.109 -5.490 -3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.718 -5.761 -1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.007 -6.932 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.206 -7.454 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.442 -4.942 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.826 -6.598 -0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.062 -5.507 -1.783 1.00 0.00 H new ATOM 1177 N ALA A 79 -3.779 -6.710 -5.366 1.00 0.00 N ATOM 1178 CA ALA A 79 -2.883 -6.218 -6.412 1.00 0.00 C ATOM 1179 C ALA A 79 -2.881 -4.696 -6.441 1.00 0.00 C ATOM 1180 O ALA A 79 -3.878 -4.074 -6.801 1.00 0.00 O ATOM 1181 CB ALA A 79 -3.287 -6.776 -7.767 1.00 0.00 C ATOM 0 H ALA A 79 -4.755 -6.794 -5.651 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.873 -6.559 -6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.609 -6.399 -8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.237 -7.865 -7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.306 -6.465 -7.999 1.00 0.00 H new ATOM 1187 N LEU A 80 -1.759 -4.103 -6.050 1.00 0.00 N ATOM 1188 CA LEU A 80 -1.631 -2.651 -6.014 1.00 0.00 C ATOM 1189 C LEU A 80 -0.746 -2.132 -7.144 1.00 0.00 C ATOM 1190 O LEU A 80 0.371 -2.612 -7.345 1.00 0.00 O ATOM 1191 CB LEU A 80 -1.054 -2.215 -4.661 1.00 0.00 C ATOM 1192 CG LEU A 80 -2.039 -2.233 -3.485 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -2.676 -3.606 -3.326 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -1.335 -1.824 -2.198 1.00 0.00 C ATOM 0 H LEU A 80 -0.923 -4.607 -5.753 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.625 -2.225 -6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.213 -2.865 -4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.657 -1.205 -4.764 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.831 -1.515 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.370 -3.590 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.216 -3.864 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.899 -4.348 -3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.047 -1.842 -1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.522 -2.520 -1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.932 -0.817 -2.308 1.00 0.00 H new ATOM 1206 N THR A 81 -1.251 -1.133 -7.867 1.00 0.00 N ATOM 1207 CA THR A 81 -0.506 -0.525 -8.964 1.00 0.00 C ATOM 1208 C THR A 81 0.451 0.528 -8.414 1.00 0.00 C ATOM 1209 O THR A 81 0.017 1.568 -7.907 1.00 0.00 O ATOM 1210 CB THR A 81 -1.455 0.112 -9.986 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.635 -0.661 -10.136 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.835 0.273 -11.357 1.00 0.00 C ATOM 0 H THR A 81 -2.174 -0.729 -7.711 1.00 0.00 H new ATOM 0 HA THR A 81 0.063 -1.305 -9.469 1.00 0.00 H new ATOM 0 HB THR A 81 -1.683 1.100 -9.587 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.225 -0.234 -10.791 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.559 0.729 -12.032 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.046 0.910 -11.285 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.545 -0.705 -11.742 1.00 0.00 H new ATOM 1220 N VAL A 82 1.749 0.241 -8.503 1.00 0.00 N ATOM 1221 CA VAL A 82 2.780 1.147 -8.000 1.00 0.00 C ATOM 1222 C VAL A 82 3.685 1.667 -9.120 1.00 0.00 C ATOM 1223 O VAL A 82 3.565 1.255 -10.273 1.00 0.00 O ATOM 1224 CB VAL A 82 3.656 0.459 -6.928 1.00 0.00 C ATOM 1225 CG1 VAL A 82 2.922 0.386 -5.598 1.00 0.00 C ATOM 1226 CG2 VAL A 82 4.078 -0.930 -7.384 1.00 0.00 C ATOM 0 H VAL A 82 2.112 -0.616 -8.921 1.00 0.00 H new ATOM 0 HA VAL A 82 2.253 1.991 -7.555 1.00 0.00 H new ATOM 0 HB VAL A 82 4.555 1.060 -6.790 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.557 -0.102 -4.858 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.680 1.394 -5.260 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.002 -0.186 -5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.693 -1.395 -6.614 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.192 -1.541 -7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.651 -0.851 -8.308 1.00 0.00 H new ATOM 1236 N GLN A 83 4.593 2.575 -8.760 1.00 0.00 N ATOM 1237 CA GLN A 83 5.533 3.166 -9.708 1.00 0.00 C ATOM 1238 C GLN A 83 6.844 3.518 -9.005 1.00 0.00 C ATOM 1239 O GLN A 83 6.851 3.836 -7.810 1.00 0.00 O ATOM 1240 CB GLN A 83 4.924 4.419 -10.351 1.00 0.00 C ATOM 1241 CG GLN A 83 5.852 5.119 -11.335 1.00 0.00 C ATOM 1242 CD GLN A 83 5.150 6.197 -12.139 1.00 0.00 C ATOM 1243 OE1 GLN A 83 4.822 5.999 -13.309 1.00 0.00 O ATOM 1244 NE2 GLN A 83 4.916 7.348 -11.516 1.00 0.00 N ATOM 0 H GLN A 83 4.696 2.919 -7.805 1.00 0.00 H new ATOM 0 HA GLN A 83 5.741 2.437 -10.491 1.00 0.00 H new ATOM 0 HB2 GLN A 83 4.005 4.141 -10.868 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.647 5.121 -9.565 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.685 5.563 -10.789 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.275 4.381 -12.017 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.204 7.470 -10.545 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.448 8.109 -12.009 1.00 0.00 H new ATOM 1253 N GLY A 84 7.950 3.461 -9.747 1.00 0.00 N ATOM 1254 CA GLY A 84 9.247 3.778 -9.170 1.00 0.00 C ATOM 1255 C GLY A 84 10.347 3.893 -10.209 1.00 0.00 C ATOM 1256 O GLY A 84 10.088 4.244 -11.363 1.00 0.00 O ATOM 0 H GLY A 84 7.971 3.202 -10.733 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.174 4.717 -8.621 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.516 3.006 -8.448 1.00 0.00 H new ATOM 1260 N ARG A 85 11.579 3.595 -9.795 1.00 0.00 N ATOM 1261 CA ARG A 85 12.734 3.661 -10.686 1.00 0.00 C ATOM 1262 C ARG A 85 13.531 2.355 -10.630 1.00 0.00 C ATOM 1263 O ARG A 85 14.593 2.288 -10.007 1.00 0.00 O ATOM 1264 CB ARG A 85 13.629 4.858 -10.324 1.00 0.00 C ATOM 1265 CG ARG A 85 13.956 4.970 -8.839 1.00 0.00 C ATOM 1266 CD ARG A 85 12.945 5.832 -8.097 1.00 0.00 C ATOM 1267 NE ARG A 85 12.871 7.190 -8.640 1.00 0.00 N ATOM 1268 CZ ARG A 85 13.741 8.164 -8.352 1.00 0.00 C ATOM 1269 NH1 ARG A 85 14.767 7.936 -7.535 1.00 0.00 N ATOM 1270 NH2 ARG A 85 13.586 9.371 -8.888 1.00 0.00 N ATOM 0 H ARG A 85 11.802 3.304 -8.843 1.00 0.00 H new ATOM 0 HA ARG A 85 12.374 3.800 -11.705 1.00 0.00 H new ATOM 0 HB2 ARG A 85 14.561 4.783 -10.885 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.136 5.776 -10.646 1.00 0.00 H new ATOM 0 HG2 ARG A 85 13.978 3.974 -8.396 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.953 5.394 -8.718 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.961 5.366 -8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.215 5.879 -7.042 1.00 0.00 H new ATOM 0 HE ARG A 85 12.106 7.407 -9.279 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.895 7.012 -7.123 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.425 8.685 -7.321 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.804 9.553 -9.518 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.249 10.115 -8.669 1.00 0.00 H new ATOM 1284 N PRO A 86 13.017 1.291 -11.281 1.00 0.00 N ATOM 1285 CA PRO A 86 13.673 -0.024 -11.304 1.00 0.00 C ATOM 1286 C PRO A 86 14.962 -0.022 -12.127 1.00 0.00 C ATOM 1287 O PRO A 86 14.927 0.099 -13.353 1.00 0.00 O ATOM 1288 CB PRO A 86 12.622 -0.936 -11.946 1.00 0.00 C ATOM 1289 CG PRO A 86 11.781 -0.024 -12.770 1.00 0.00 C ATOM 1290 CD PRO A 86 11.752 1.289 -12.040 1.00 0.00 C ATOM 0 HA PRO A 86 13.979 -0.343 -10.308 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.088 -1.707 -12.560 1.00 0.00 H new ATOM 0 HB3 PRO A 86 12.027 -1.448 -11.190 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.199 0.095 -13.770 1.00 0.00 H new ATOM 0 HG3 PRO A 86 10.775 -0.425 -12.891 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.697 2.131 -12.730 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.888 1.362 -11.380 1.00 0.00 H new ATOM 1298 N PRO A 87 16.125 -0.156 -11.455 1.00 0.00 N ATOM 1299 CA PRO A 87 17.433 -0.167 -12.124 1.00 0.00 C ATOM 1300 C PRO A 87 17.666 -1.437 -12.945 1.00 0.00 C ATOM 1301 O PRO A 87 16.978 -2.443 -12.757 1.00 0.00 O ATOM 1302 CB PRO A 87 18.427 -0.093 -10.962 1.00 0.00 C ATOM 1303 CG PRO A 87 17.697 -0.667 -9.798 1.00 0.00 C ATOM 1304 CD PRO A 87 16.252 -0.303 -9.990 1.00 0.00 C ATOM 0 HA PRO A 87 17.527 0.650 -12.839 1.00 0.00 H new ATOM 0 HB2 PRO A 87 19.332 -0.660 -11.179 1.00 0.00 H new ATOM 0 HB3 PRO A 87 18.733 0.935 -10.769 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.824 -1.749 -9.754 1.00 0.00 H new ATOM 0 HG3 PRO A 87 18.079 -0.263 -8.861 1.00 0.00 H new ATOM 0 HD2 PRO A 87 15.588 -1.077 -9.605 1.00 0.00 H new ATOM 0 HD3 PRO A 87 15.998 0.621 -9.470 1.00 0.00 H new ATOM 1312 N GLY A 88 18.640 -1.378 -13.854 1.00 0.00 N ATOM 1313 CA GLY A 88 18.952 -2.523 -14.693 1.00 0.00 C ATOM 1314 C GLY A 88 20.444 -2.733 -14.863 1.00 0.00 C ATOM 1315 O GLY A 88 21.065 -2.120 -15.733 1.00 0.00 O ATOM 0 H GLY A 88 19.219 -0.555 -14.023 1.00 0.00 H new ATOM 0 HA2 GLY A 88 18.510 -3.419 -14.257 1.00 0.00 H new ATOM 0 HA3 GLY A 88 18.494 -2.386 -15.673 1.00 0.00 H new ATOM 1319 N SER A 89 21.020 -3.602 -14.032 1.00 0.00 N ATOM 1320 CA SER A 89 22.450 -3.898 -14.093 1.00 0.00 C ATOM 1321 C SER A 89 22.754 -5.253 -13.458 1.00 0.00 C ATOM 1322 O SER A 89 22.202 -5.537 -12.374 1.00 0.00 O ATOM 1323 CB SER A 89 23.259 -2.798 -13.394 1.00 0.00 C ATOM 1324 OG SER A 89 24.185 -2.197 -14.284 1.00 0.00 O ATOM 1325 OXT SER A 89 23.542 -6.018 -14.051 1.00 0.00 O ATOM 0 H SER A 89 20.516 -4.114 -13.308 1.00 0.00 H new ATOM 0 HA SER A 89 22.740 -3.935 -15.143 1.00 0.00 H new ATOM 0 HB2 SER A 89 22.582 -2.039 -13.002 1.00 0.00 H new ATOM 0 HB3 SER A 89 23.792 -3.221 -12.542 1.00 0.00 H new ATOM 0 HG SER A 89 24.686 -1.499 -13.813 1.00 0.00 H new TER 1331 SER A 89 ATOM 1332 N VAL B 90 -5.388 17.159 8.609 1.00 0.00 N ATOM 1333 CA VAL B 90 -4.911 18.485 8.128 1.00 0.00 C ATOM 1334 C VAL B 90 -3.658 18.332 7.267 1.00 0.00 C ATOM 1335 O VAL B 90 -3.701 18.552 6.057 1.00 0.00 O ATOM 1336 CB VAL B 90 -4.608 19.438 9.305 1.00 0.00 C ATOM 1337 CG1 VAL B 90 -4.357 20.854 8.804 1.00 0.00 C ATOM 1338 CG2 VAL B 90 -5.743 19.416 10.321 1.00 0.00 C ATOM 0 HA VAL B 90 -5.712 18.915 7.527 1.00 0.00 H new ATOM 0 HB VAL B 90 -3.702 19.090 9.800 1.00 0.00 H new ATOM 0 HG11 VAL B 90 -4.146 21.507 9.651 1.00 0.00 H new ATOM 0 HG12 VAL B 90 -3.505 20.854 8.124 1.00 0.00 H new ATOM 0 HG13 VAL B 90 -5.240 21.216 8.278 1.00 0.00 H new ATOM 0 HG21 VAL B 90 -5.510 20.094 11.142 1.00 0.00 H new ATOM 0 HG22 VAL B 90 -6.668 19.734 9.840 1.00 0.00 H new ATOM 0 HG23 VAL B 90 -5.864 18.405 10.709 1.00 0.00 H new ATOM 1350 N GLU B 91 -2.547 17.949 7.897 1.00 0.00 N ATOM 1351 CA GLU B 91 -1.287 17.761 7.184 1.00 0.00 C ATOM 1352 C GLU B 91 -0.647 16.415 7.542 1.00 0.00 C ATOM 1353 O GLU B 91 0.579 16.281 7.544 1.00 0.00 O ATOM 1354 CB GLU B 91 -0.322 18.908 7.500 1.00 0.00 C ATOM 1355 CG GLU B 91 0.796 19.061 6.481 1.00 0.00 C ATOM 1356 CD GLU B 91 0.407 19.953 5.319 1.00 0.00 C ATOM 1357 OE1 GLU B 91 0.387 21.189 5.501 1.00 0.00 O ATOM 1358 OE2 GLU B 91 0.118 19.416 4.229 1.00 0.00 O ATOM 0 H GLU B 91 -2.496 17.763 8.899 1.00 0.00 H new ATOM 0 HA GLU B 91 -1.499 17.762 6.115 1.00 0.00 H new ATOM 0 HB2 GLU B 91 -0.884 19.840 7.553 1.00 0.00 H new ATOM 0 HB3 GLU B 91 0.115 18.743 8.485 1.00 0.00 H new ATOM 0 HG2 GLU B 91 1.677 19.474 6.973 1.00 0.00 H new ATOM 0 HG3 GLU B 91 1.074 18.078 6.102 1.00 0.00 H new ATOM 1365 N ASN B 92 -1.482 15.415 7.838 1.00 0.00 N ATOM 1366 CA ASN B 92 -0.989 14.085 8.188 1.00 0.00 C ATOM 1367 C ASN B 92 -1.626 13.017 7.307 1.00 0.00 C ATOM 1368 O ASN B 92 -2.849 12.957 7.171 1.00 0.00 O ATOM 1369 CB ASN B 92 -1.254 13.773 9.668 1.00 0.00 C ATOM 1370 CG ASN B 92 -2.717 13.914 10.058 1.00 0.00 C ATOM 1371 OD1 ASN B 92 -3.485 12.955 9.991 1.00 0.00 O ATOM 1372 ND2 ASN B 92 -3.109 15.115 10.471 1.00 0.00 N ATOM 0 H ASN B 92 -2.498 15.503 7.842 1.00 0.00 H new ATOM 0 HA ASN B 92 0.088 14.078 8.018 1.00 0.00 H new ATOM 0 HB2 ASN B 92 -0.924 12.757 9.883 1.00 0.00 H new ATOM 0 HB3 ASN B 92 -0.654 14.441 10.286 1.00 0.00 H new ATOM 0 HD21 ASN B 92 -4.079 15.268 10.747 1.00 0.00 H new ATOM 0 HD22 ASN B 92 -2.440 15.884 10.512 1.00 0.00 H new ATOM 1379 N LYS B 93 -0.783 12.174 6.713 1.00 0.00 N ATOM 1380 CA LYS B 93 -1.251 11.099 5.843 1.00 0.00 C ATOM 1381 C LYS B 93 -0.285 9.912 5.873 1.00 0.00 C ATOM 1382 O LYS B 93 0.056 9.349 4.831 1.00 0.00 O ATOM 1383 CB LYS B 93 -1.432 11.610 4.407 1.00 0.00 C ATOM 1384 CG LYS B 93 -0.235 12.380 3.864 1.00 0.00 C ATOM 1385 CD LYS B 93 -0.672 13.578 3.033 1.00 0.00 C ATOM 1386 CE LYS B 93 0.245 13.801 1.839 1.00 0.00 C ATOM 1387 NZ LYS B 93 0.595 15.239 1.661 1.00 0.00 N ATOM 0 H LYS B 93 0.231 12.216 6.820 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.218 10.758 6.214 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -1.631 10.761 3.753 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -2.311 12.253 4.370 1.00 0.00 H new ATOM 0 HG2 LYS B 93 0.387 12.718 4.692 1.00 0.00 H new ATOM 0 HG3 LYS B 93 0.379 11.717 3.254 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -1.693 13.425 2.684 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -0.679 14.471 3.658 1.00 0.00 H new ATOM 0 HE2 LYS B 93 1.158 13.220 1.970 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -0.241 13.432 0.936 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 1.221 15.345 0.837 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -0.273 15.791 1.510 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 1.082 15.586 2.512 1.00 0.00 H new ATOM 1401 N VAL B 94 0.150 9.530 7.074 1.00 0.00 N ATOM 1402 CA VAL B 94 1.072 8.407 7.232 1.00 0.00 C ATOM 1403 C VAL B 94 0.335 7.171 7.748 1.00 0.00 C ATOM 1404 O VAL B 94 -0.512 7.268 8.639 1.00 0.00 O ATOM 1405 CB VAL B 94 2.241 8.757 8.184 1.00 0.00 C ATOM 1406 CG1 VAL B 94 1.734 9.110 9.579 1.00 0.00 C ATOM 1407 CG2 VAL B 94 3.248 7.615 8.245 1.00 0.00 C ATOM 0 H VAL B 94 -0.121 9.980 7.948 1.00 0.00 H new ATOM 0 HA VAL B 94 1.489 8.190 6.248 1.00 0.00 H new ATOM 0 HB VAL B 94 2.745 9.636 7.783 1.00 0.00 H new ATOM 0 HG11 VAL B 94 2.580 9.351 10.223 1.00 0.00 H new ATOM 0 HG12 VAL B 94 1.068 9.971 9.517 1.00 0.00 H new ATOM 0 HG13 VAL B 94 1.191 8.261 9.995 1.00 0.00 H new ATOM 0 HG21 VAL B 94 4.061 7.883 8.920 1.00 0.00 H new ATOM 0 HG22 VAL B 94 2.755 6.714 8.610 1.00 0.00 H new ATOM 0 HG23 VAL B 94 3.649 7.430 7.249 1.00 0.00 H new ATOM 1417 N THR B 95 0.652 6.011 7.174 1.00 0.00 N ATOM 1418 CA THR B 95 0.010 4.757 7.569 1.00 0.00 C ATOM 1419 C THR B 95 0.998 3.593 7.535 1.00 0.00 C ATOM 1420 O THR B 95 2.002 3.642 6.826 1.00 0.00 O ATOM 1421 CB THR B 95 -1.176 4.458 6.640 1.00 0.00 C ATOM 1422 OG1 THR B 95 -1.784 5.658 6.195 1.00 0.00 O ATOM 1423 CG2 THR B 95 -2.252 3.610 7.289 1.00 0.00 C ATOM 0 H THR B 95 1.348 5.913 6.435 1.00 0.00 H new ATOM 0 HA THR B 95 -0.348 4.871 8.592 1.00 0.00 H new ATOM 0 HB THR B 95 -0.751 3.899 5.806 1.00 0.00 H new ATOM 0 HG1 THR B 95 -2.489 5.920 6.823 1.00 0.00 H new ATOM 0 HG21 THR B 95 -3.059 3.438 6.576 1.00 0.00 H new ATOM 0 HG22 THR B 95 -1.827 2.654 7.594 1.00 0.00 H new ATOM 0 HG23 THR B 95 -2.645 4.128 8.164 1.00 0.00 H new ATOM 1431 N ASP B 96 0.704 2.541 8.296 1.00 0.00 N ATOM 1432 CA ASP B 96 1.566 1.366 8.333 1.00 0.00 C ATOM 1433 C ASP B 96 0.910 0.205 7.592 1.00 0.00 C ATOM 1434 O ASP B 96 -0.295 0.231 7.334 1.00 0.00 O ATOM 1435 CB ASP B 96 1.885 0.972 9.780 1.00 0.00 C ATOM 1436 CG ASP B 96 3.128 1.670 10.305 1.00 0.00 C ATOM 1437 OD1 ASP B 96 3.067 2.896 10.542 1.00 0.00 O ATOM 1438 OD2 ASP B 96 4.163 0.991 10.476 1.00 0.00 O ATOM 0 H ASP B 96 -0.121 2.480 8.892 1.00 0.00 H new ATOM 0 HA ASP B 96 2.504 1.610 7.834 1.00 0.00 H new ATOM 0 HB2 ASP B 96 1.036 1.218 10.417 1.00 0.00 H new ATOM 0 HB3 ASP B 96 2.025 -0.107 9.838 1.00 0.00 H new ATOM 1443 N LEU B 97 1.715 -0.801 7.243 1.00 0.00 N ATOM 1444 CA LEU B 97 1.234 -1.982 6.520 1.00 0.00 C ATOM 1445 C LEU B 97 0.378 -1.603 5.299 1.00 0.00 C ATOM 1446 O LEU B 97 -0.420 -2.453 4.846 1.00 0.00 O ATOM 1447 CB LEU B 97 0.456 -2.912 7.470 1.00 0.00 C ATOM 1448 CG LEU B 97 -0.934 -2.421 7.900 1.00 0.00 C ATOM 1449 CD1 LEU B 97 -1.931 -3.573 7.929 1.00 0.00 C ATOM 1450 CD2 LEU B 97 -0.861 -1.744 9.261 1.00 0.00 C ATOM 1451 OXT LEU B 97 0.520 -0.465 4.795 1.00 0.00 O ATOM 0 H LEU B 97 2.713 -0.821 7.452 1.00 0.00 H new ATOM 0 HA LEU B 97 2.107 -2.515 6.143 1.00 0.00 H new ATOM 0 HB2 LEU B 97 0.344 -3.882 6.986 1.00 0.00 H new ATOM 0 HB3 LEU B 97 1.057 -3.070 8.365 1.00 0.00 H new ATOM 0 HG LEU B 97 -1.280 -1.691 7.168 1.00 0.00 H new ATOM 0 HD11 LEU B 97 -2.908 -3.201 8.236 1.00 0.00 H new ATOM 0 HD12 LEU B 97 -2.007 -4.014 6.935 1.00 0.00 H new ATOM 0 HD13 LEU B 97 -1.592 -4.330 8.636 1.00 0.00 H new ATOM 0 HD21 LEU B 97 -1.854 -1.402 9.551 1.00 0.00 H new ATOM 0 HD22 LEU B 97 -0.491 -2.454 10.001 1.00 0.00 H new ATOM 0 HD23 LEU B 97 -0.185 -0.891 9.207 1.00 0.00 H new TER 1463 LEU B 97