USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=19 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 14 GLN : amide:sc= -0.0136 X(o=-0.014,f=0.25) USER MOD Set 1.2: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 65 HIS : no HD1:sc= 1.11 K(o=2.1,f=-9.8!) USER MOD Set 2.2: B 95 THR OG1 : rot -46:sc= 1 USER MOD Set 3.1: A 10 CYS SG : rot 180:sc= -0.206 USER MOD Set 3.2: A 81 THR OG1 : rot 180:sc= 0 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 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -127:sc= -0.63 (180deg=-2.37!) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.914 F(o=-2.7!,f=-0.91) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot -160:sc= -0.203 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.45 X(o=-1.4,f=-1.8) USER MOD Single : A 33 GLN : amide:sc= -0.0243 X(o=-0.024,f=0) 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 143:sc= -0.0323 (180deg=-0.349) USER MOD Single : A 47 GLN : amide:sc= -0.414 K(o=-0.41,f=-3.5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 54 LYS NZ :NH3+ 156:sc= -0.0635 (180deg=-0.784) USER MOD Single : A 56 ASN : amide:sc= -4.37! C(o=-4.4!,f=-13!) USER MOD Single : A 58 THR OG1 : rot 82:sc= 0.848 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00173 USER MOD Single : A 62 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.0019) USER MOD Single : A 63 SER OG : rot 130:sc= 0.0118 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 0:sc= 0.667 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -2.56! C(o=-2.6!,f=-6!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0654 USER MOD Single : B 92 ASN : amide:sc=-0.00639 K(o=-0.0064,f=-1) USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.276 10.141 -25.805 1.00 0.00 N ATOM 2 CA GLY A 1 16.674 9.864 -25.366 1.00 0.00 C ATOM 3 C GLY A 1 16.773 9.569 -23.882 1.00 0.00 C ATOM 4 O GLY A 1 17.067 8.440 -23.486 1.00 0.00 O ATOM 0 H1 GLY A 1 15.265 10.336 -26.826 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.679 9.314 -25.604 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.908 10.967 -25.291 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.066 9.016 -25.928 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.302 10.722 -25.605 1.00 0.00 H new ATOM 10 N SER A 2 16.524 10.586 -23.058 1.00 0.00 N ATOM 11 CA SER A 2 16.585 10.433 -21.607 1.00 0.00 C ATOM 12 C SER A 2 15.568 11.349 -20.919 1.00 0.00 C ATOM 13 O SER A 2 15.869 11.978 -19.903 1.00 0.00 O ATOM 14 CB SER A 2 18.000 10.736 -21.105 1.00 0.00 C ATOM 15 OG SER A 2 18.372 9.851 -20.063 1.00 0.00 O ATOM 0 H SER A 2 16.278 11.525 -23.372 1.00 0.00 H new ATOM 0 HA SER A 2 16.335 9.401 -21.359 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.708 10.650 -21.929 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.050 11.765 -20.748 1.00 0.00 H new ATOM 0 HG SER A 2 19.280 10.064 -19.761 1.00 0.00 H new ATOM 21 N HIS A 3 14.360 11.412 -21.480 1.00 0.00 N ATOM 22 CA HIS A 3 13.296 12.244 -20.923 1.00 0.00 C ATOM 23 C HIS A 3 12.575 11.520 -19.787 1.00 0.00 C ATOM 24 O HIS A 3 12.787 10.326 -19.567 1.00 0.00 O ATOM 25 CB HIS A 3 12.301 12.636 -22.020 1.00 0.00 C ATOM 26 CG HIS A 3 12.224 14.114 -22.257 1.00 0.00 C ATOM 27 ND1 HIS A 3 11.294 14.927 -21.642 1.00 0.00 N ATOM 28 CD2 HIS A 3 12.965 14.925 -23.049 1.00 0.00 C ATOM 29 CE1 HIS A 3 11.468 16.173 -22.046 1.00 0.00 C ATOM 30 NE2 HIS A 3 12.475 16.199 -22.899 1.00 0.00 N ATOM 0 H HIS A 3 14.095 10.897 -22.319 1.00 0.00 H new ATOM 0 HA HIS A 3 13.748 13.149 -20.516 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.583 12.141 -22.949 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.311 12.267 -21.751 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.788 14.626 -23.681 1.00 0.00 H new ATOM 0 HE1 HIS A 3 10.885 17.026 -21.731 1.00 0.00 H new ATOM 0 HE2 HIS A 3 12.831 17.030 -23.370 1.00 0.00 H new ATOM 39 N MET A 4 11.728 12.251 -19.061 1.00 0.00 N ATOM 40 CA MET A 4 10.985 11.677 -17.941 1.00 0.00 C ATOM 41 C MET A 4 9.874 10.752 -18.432 1.00 0.00 C ATOM 42 O MET A 4 8.838 11.211 -18.916 1.00 0.00 O ATOM 43 CB MET A 4 10.393 12.784 -17.066 1.00 0.00 C ATOM 44 CG MET A 4 10.231 12.387 -15.607 1.00 0.00 C ATOM 45 SD MET A 4 11.781 12.464 -14.688 1.00 0.00 S ATOM 46 CE MET A 4 12.335 10.765 -14.808 1.00 0.00 C ATOM 0 H MET A 4 11.540 13.239 -19.229 1.00 0.00 H new ATOM 0 HA MET A 4 11.684 11.089 -17.346 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.034 13.664 -17.125 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.420 13.070 -17.466 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.501 13.044 -15.135 1.00 0.00 H new ATOM 0 HG3 MET A 4 9.831 11.374 -15.553 1.00 0.00 H new ATOM 0 HE1 MET A 4 12.550 10.381 -13.811 1.00 0.00 H new ATOM 0 HE2 MET A 4 11.555 10.160 -15.270 1.00 0.00 H new ATOM 0 HE3 MET A 4 13.238 10.719 -15.417 1.00 0.00 H new ATOM 56 N GLY A 5 10.100 9.448 -18.299 1.00 0.00 N ATOM 57 CA GLY A 5 9.114 8.472 -18.729 1.00 0.00 C ATOM 58 C GLY A 5 8.469 7.735 -17.567 1.00 0.00 C ATOM 59 O GLY A 5 7.266 7.475 -17.588 1.00 0.00 O ATOM 0 H GLY A 5 10.950 9.049 -17.900 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.340 8.975 -19.309 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.590 7.750 -19.392 1.00 0.00 H new ATOM 63 N LEU A 6 9.274 7.393 -16.553 1.00 0.00 N ATOM 64 CA LEU A 6 8.787 6.679 -15.376 1.00 0.00 C ATOM 65 C LEU A 6 8.335 5.263 -15.738 1.00 0.00 C ATOM 66 O LEU A 6 8.010 4.980 -16.893 1.00 0.00 O ATOM 67 CB LEU A 6 7.642 7.449 -14.721 1.00 0.00 C ATOM 68 CG LEU A 6 8.067 8.656 -13.880 1.00 0.00 C ATOM 69 CD1 LEU A 6 7.031 9.764 -13.979 1.00 0.00 C ATOM 70 CD2 LEU A 6 8.281 8.250 -12.428 1.00 0.00 C ATOM 0 H LEU A 6 10.272 7.603 -16.529 1.00 0.00 H new ATOM 0 HA LEU A 6 9.610 6.601 -14.666 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.962 7.791 -15.501 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.080 6.764 -14.086 1.00 0.00 H new ATOM 0 HG LEU A 6 9.012 9.032 -14.272 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.349 10.614 -13.375 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.929 10.075 -15.019 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.071 9.398 -13.614 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.583 9.122 -11.847 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.353 7.847 -12.022 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.061 7.490 -12.374 1.00 0.00 H new ATOM 82 N VAL A 7 8.327 4.374 -14.746 1.00 0.00 N ATOM 83 CA VAL A 7 7.925 2.985 -14.965 1.00 0.00 C ATOM 84 C VAL A 7 6.854 2.548 -13.968 1.00 0.00 C ATOM 85 O VAL A 7 7.066 2.598 -12.755 1.00 0.00 O ATOM 86 CB VAL A 7 9.133 2.028 -14.860 1.00 0.00 C ATOM 87 CG1 VAL A 7 8.750 0.626 -15.309 1.00 0.00 C ATOM 88 CG2 VAL A 7 10.308 2.549 -15.677 1.00 0.00 C ATOM 0 H VAL A 7 8.593 4.590 -13.785 1.00 0.00 H new ATOM 0 HA VAL A 7 7.513 2.934 -15.973 1.00 0.00 H new ATOM 0 HB VAL A 7 9.438 1.982 -13.815 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.615 -0.031 -15.227 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.946 0.248 -14.677 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.413 0.655 -16.345 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.147 1.859 -15.588 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.015 2.631 -16.724 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.604 3.530 -15.305 1.00 0.00 H new ATOM 98 N GLN A 8 5.707 2.113 -14.490 1.00 0.00 N ATOM 99 CA GLN A 8 4.598 1.657 -13.654 1.00 0.00 C ATOM 100 C GLN A 8 4.578 0.132 -13.562 1.00 0.00 C ATOM 101 O GLN A 8 4.822 -0.562 -14.551 1.00 0.00 O ATOM 102 CB GLN A 8 3.267 2.168 -14.215 1.00 0.00 C ATOM 103 CG GLN A 8 2.072 1.897 -13.313 1.00 0.00 C ATOM 104 CD GLN A 8 0.889 2.792 -13.632 1.00 0.00 C ATOM 105 OE1 GLN A 8 0.407 3.524 -12.633 1.00 0.00 O flip ATOM 106 NE2 GLN A 8 0.410 2.825 -14.766 1.00 0.00 N flip ATOM 0 H GLN A 8 5.522 2.067 -15.492 1.00 0.00 H new ATOM 0 HA GLN A 8 4.739 2.060 -12.651 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.344 3.242 -14.386 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.090 1.703 -15.185 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.773 0.854 -13.416 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.365 2.044 -12.273 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.810 2.247 -15.505 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.386 3.430 -14.966 1.00 0.00 H new ATOM 115 N ARG A 9 4.287 -0.380 -12.366 1.00 0.00 N ATOM 116 CA ARG A 9 4.234 -1.822 -12.134 1.00 0.00 C ATOM 117 C ARG A 9 3.213 -2.167 -11.048 1.00 0.00 C ATOM 118 O ARG A 9 3.093 -1.454 -10.050 1.00 0.00 O ATOM 119 CB ARG A 9 5.615 -2.349 -11.727 1.00 0.00 C ATOM 120 CG ARG A 9 6.445 -2.868 -12.890 1.00 0.00 C ATOM 121 CD ARG A 9 7.932 -2.665 -12.645 1.00 0.00 C ATOM 122 NE ARG A 9 8.696 -2.647 -13.892 1.00 0.00 N ATOM 123 CZ ARG A 9 9.029 -3.741 -14.583 1.00 0.00 C ATOM 124 NH1 ARG A 9 8.676 -4.950 -14.149 1.00 0.00 N ATOM 125 NH2 ARG A 9 9.719 -3.624 -15.714 1.00 0.00 N ATOM 0 H ARG A 9 4.084 0.185 -11.541 1.00 0.00 H new ATOM 0 HA ARG A 9 3.926 -2.298 -13.065 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.165 -1.551 -11.229 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.487 -3.150 -10.999 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.241 -3.928 -13.040 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.152 -2.354 -13.806 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.087 -1.727 -12.112 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.306 -3.462 -12.003 1.00 0.00 H new ATOM 0 HE ARG A 9 8.993 -1.742 -14.257 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.147 -5.046 -13.282 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.935 -5.779 -14.683 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.992 -2.701 -16.051 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.975 -4.457 -16.244 1.00 0.00 H new ATOM 139 N CYS A 10 2.488 -3.269 -11.244 1.00 0.00 N ATOM 140 CA CYS A 10 1.486 -3.715 -10.275 1.00 0.00 C ATOM 141 C CYS A 10 2.066 -4.781 -9.346 1.00 0.00 C ATOM 142 O CYS A 10 2.570 -5.809 -9.805 1.00 0.00 O ATOM 143 CB CYS A 10 0.250 -4.264 -10.996 1.00 0.00 C ATOM 144 SG CYS A 10 -1.228 -4.363 -9.959 1.00 0.00 S ATOM 0 H CYS A 10 2.576 -3.869 -12.064 1.00 0.00 H new ATOM 0 HA CYS A 10 1.191 -2.855 -9.674 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.035 -3.632 -11.857 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.478 -5.258 -11.380 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.217 -4.836 -10.658 1.00 0.00 H new ATOM 150 N VAL A 11 1.993 -4.530 -8.038 1.00 0.00 N ATOM 151 CA VAL A 11 2.511 -5.468 -7.043 1.00 0.00 C ATOM 152 C VAL A 11 1.378 -6.121 -6.252 1.00 0.00 C ATOM 153 O VAL A 11 0.499 -5.436 -5.729 1.00 0.00 O ATOM 154 CB VAL A 11 3.483 -4.778 -6.058 1.00 0.00 C ATOM 155 CG1 VAL A 11 4.821 -4.507 -6.731 1.00 0.00 C ATOM 156 CG2 VAL A 11 2.882 -3.490 -5.510 1.00 0.00 C ATOM 0 H VAL A 11 1.580 -3.685 -7.644 1.00 0.00 H new ATOM 0 HA VAL A 11 3.054 -6.236 -7.594 1.00 0.00 H new ATOM 0 HB VAL A 11 3.651 -5.452 -5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.493 -4.021 -6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.260 -5.449 -7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.670 -3.857 -7.593 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.586 -3.025 -4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.675 -2.806 -6.333 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.954 -3.716 -4.984 1.00 0.00 H new ATOM 166 N ILE A 12 1.406 -7.450 -6.168 1.00 0.00 N ATOM 167 CA ILE A 12 0.383 -8.198 -5.440 1.00 0.00 C ATOM 168 C ILE A 12 0.938 -8.743 -4.124 1.00 0.00 C ATOM 169 O ILE A 12 1.811 -9.613 -4.123 1.00 0.00 O ATOM 170 CB ILE A 12 -0.169 -9.370 -6.283 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.594 -8.881 -7.673 1.00 0.00 C ATOM 172 CG2 ILE A 12 -1.339 -10.034 -5.568 1.00 0.00 C ATOM 173 CD1 ILE A 12 0.469 -9.073 -8.735 1.00 0.00 C ATOM 0 H ILE A 12 2.127 -8.031 -6.596 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.430 -7.503 -5.230 1.00 0.00 H new ATOM 0 HB ILE A 12 0.623 -10.108 -6.408 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.497 -9.411 -7.975 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.850 -7.823 -7.614 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.716 -10.857 -6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.006 -10.417 -4.603 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.133 -9.303 -5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.098 -8.705 -9.692 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.366 -8.520 -8.456 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.709 -10.133 -8.823 1.00 0.00 H new ATOM 185 N ILE A 13 0.431 -8.221 -3.006 1.00 0.00 N ATOM 186 CA ILE A 13 0.883 -8.654 -1.682 1.00 0.00 C ATOM 187 C ILE A 13 -0.172 -9.515 -0.986 1.00 0.00 C ATOM 188 O ILE A 13 -1.345 -9.144 -0.923 1.00 0.00 O ATOM 189 CB ILE A 13 1.227 -7.448 -0.775 1.00 0.00 C ATOM 190 CG1 ILE A 13 2.122 -6.449 -1.516 1.00 0.00 C ATOM 191 CG2 ILE A 13 1.906 -7.921 0.504 1.00 0.00 C ATOM 192 CD1 ILE A 13 2.346 -5.158 -0.757 1.00 0.00 C ATOM 0 H ILE A 13 -0.290 -7.500 -2.990 1.00 0.00 H new ATOM 0 HA ILE A 13 1.783 -9.248 -1.841 1.00 0.00 H new ATOM 0 HB ILE A 13 0.297 -6.944 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.087 -6.916 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.674 -6.219 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.141 -7.061 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.238 -8.591 1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.826 -8.450 0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.988 -4.499 -1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.388 -4.669 -0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.823 -5.376 0.199 1.00 0.00 H new ATOM 204 N GLN A 14 0.260 -10.660 -0.454 1.00 0.00 N ATOM 205 CA GLN A 14 -0.636 -11.576 0.251 1.00 0.00 C ATOM 206 C GLN A 14 -0.414 -11.486 1.762 1.00 0.00 C ATOM 207 O GLN A 14 0.707 -11.665 2.242 1.00 0.00 O ATOM 208 CB GLN A 14 -0.411 -13.015 -0.226 1.00 0.00 C ATOM 209 CG GLN A 14 -1.662 -13.882 -0.171 1.00 0.00 C ATOM 210 CD GLN A 14 -1.517 -15.067 0.767 1.00 0.00 C ATOM 211 OE1 GLN A 14 -2.279 -15.210 1.723 1.00 0.00 O ATOM 212 NE2 GLN A 14 -0.539 -15.925 0.498 1.00 0.00 N ATOM 0 H GLN A 14 1.229 -10.975 -0.499 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.664 -11.288 0.030 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.039 -12.995 -1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.365 -13.474 0.386 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.507 -13.272 0.149 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.892 -14.244 -1.173 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.070 -15.769 -0.305 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.397 -16.740 1.094 1.00 0.00 H new ATOM 221 N LYS A 15 -1.486 -11.204 2.503 1.00 0.00 N ATOM 222 CA LYS A 15 -1.414 -11.086 3.960 1.00 0.00 C ATOM 223 C LYS A 15 -0.895 -12.376 4.596 1.00 0.00 C ATOM 224 O LYS A 15 -1.368 -13.469 4.277 1.00 0.00 O ATOM 225 CB LYS A 15 -2.791 -10.739 4.534 1.00 0.00 C ATOM 226 CG LYS A 15 -2.734 -10.048 5.888 1.00 0.00 C ATOM 227 CD LYS A 15 -2.730 -11.054 7.031 1.00 0.00 C ATOM 228 CE LYS A 15 -4.101 -11.173 7.680 1.00 0.00 C ATOM 229 NZ LYS A 15 -4.200 -12.371 8.562 1.00 0.00 N ATOM 0 H LYS A 15 -2.418 -11.053 2.117 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.714 -10.284 4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.316 -10.095 3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.377 -11.654 4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.838 -9.429 5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.589 -9.381 5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.419 -12.029 6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.998 -10.751 7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.305 -10.275 8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.865 -11.229 6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.150 -12.414 8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.031 -13.230 8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.488 -12.306 9.317 1.00 0.00 H new ATOM 243 N ASP A 16 0.081 -12.238 5.494 1.00 0.00 N ATOM 244 CA ASP A 16 0.674 -13.385 6.177 1.00 0.00 C ATOM 245 C ASP A 16 0.615 -13.215 7.697 1.00 0.00 C ATOM 246 O ASP A 16 0.060 -12.234 8.201 1.00 0.00 O ATOM 247 CB ASP A 16 2.127 -13.564 5.730 1.00 0.00 C ATOM 248 CG ASP A 16 2.487 -15.015 5.484 1.00 0.00 C ATOM 249 OD1 ASP A 16 2.664 -15.758 6.472 1.00 0.00 O ATOM 250 OD2 ASP A 16 2.592 -15.408 4.304 1.00 0.00 O ATOM 0 H ASP A 16 0.478 -11.338 5.765 1.00 0.00 H new ATOM 0 HA ASP A 16 0.099 -14.272 5.911 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.295 -12.992 4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.790 -13.153 6.491 1.00 0.00 H new ATOM 255 N ASP A 17 1.197 -14.171 8.422 1.00 0.00 N ATOM 256 CA ASP A 17 1.220 -14.125 9.884 1.00 0.00 C ATOM 257 C ASP A 17 1.967 -12.887 10.383 1.00 0.00 C ATOM 258 O ASP A 17 1.618 -12.319 11.417 1.00 0.00 O ATOM 259 CB ASP A 17 1.869 -15.390 10.453 1.00 0.00 C ATOM 260 CG ASP A 17 1.445 -15.663 11.884 1.00 0.00 C ATOM 261 OD1 ASP A 17 0.244 -15.926 12.109 1.00 0.00 O ATOM 262 OD2 ASP A 17 2.313 -15.613 12.780 1.00 0.00 O ATOM 0 H ASP A 17 1.659 -14.987 8.020 1.00 0.00 H new ATOM 0 HA ASP A 17 0.188 -14.070 10.231 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.604 -16.243 9.829 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.954 -15.289 10.411 1.00 0.00 H new ATOM 267 N ASN A 18 2.993 -12.474 9.638 1.00 0.00 N ATOM 268 CA ASN A 18 3.784 -11.299 10.001 1.00 0.00 C ATOM 269 C ASN A 18 3.216 -10.022 9.366 1.00 0.00 C ATOM 270 O ASN A 18 3.878 -8.981 9.359 1.00 0.00 O ATOM 271 CB ASN A 18 5.243 -11.493 9.573 1.00 0.00 C ATOM 272 CG ASN A 18 6.078 -12.177 10.641 1.00 0.00 C ATOM 273 OD1 ASN A 18 6.850 -11.530 11.347 1.00 0.00 O ATOM 274 ND2 ASN A 18 5.926 -13.491 10.764 1.00 0.00 N ATOM 0 H ASN A 18 3.295 -12.936 8.780 1.00 0.00 H new ATOM 0 HA ASN A 18 3.737 -11.186 11.084 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.274 -12.085 8.658 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.682 -10.523 9.340 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.461 -14.003 11.465 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.274 -13.988 10.157 1.00 0.00 H new ATOM 281 N GLY A 19 1.992 -10.101 8.833 1.00 0.00 N ATOM 282 CA GLY A 19 1.375 -8.944 8.209 1.00 0.00 C ATOM 283 C GLY A 19 2.042 -8.565 6.898 1.00 0.00 C ATOM 284 O GLY A 19 2.838 -9.335 6.353 1.00 0.00 O ATOM 0 H GLY A 19 1.421 -10.946 8.825 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.320 -9.151 8.029 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.421 -8.098 8.894 1.00 0.00 H new ATOM 288 N PHE A 20 1.722 -7.374 6.395 1.00 0.00 N ATOM 289 CA PHE A 20 2.299 -6.889 5.143 1.00 0.00 C ATOM 290 C PHE A 20 3.739 -6.429 5.357 1.00 0.00 C ATOM 291 O PHE A 20 4.619 -6.719 4.542 1.00 0.00 O ATOM 292 CB PHE A 20 1.465 -5.736 4.572 1.00 0.00 C ATOM 293 CG PHE A 20 0.075 -6.141 4.155 1.00 0.00 C ATOM 294 CD1 PHE A 20 -0.961 -6.166 5.076 1.00 0.00 C ATOM 295 CD2 PHE A 20 -0.194 -6.491 2.840 1.00 0.00 C ATOM 296 CE1 PHE A 20 -2.237 -6.534 4.694 1.00 0.00 C ATOM 297 CE2 PHE A 20 -1.469 -6.860 2.453 1.00 0.00 C ATOM 298 CZ PHE A 20 -2.492 -6.880 3.382 1.00 0.00 C ATOM 0 H PHE A 20 1.067 -6.728 6.835 1.00 0.00 H new ATOM 0 HA PHE A 20 2.294 -7.713 4.430 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.395 -4.946 5.319 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.985 -5.315 3.711 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.769 -5.895 6.104 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.602 -6.475 2.110 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.035 -6.551 5.422 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.665 -7.132 1.426 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.489 -7.166 3.082 1.00 0.00 H new ATOM 308 N GLY A 21 3.970 -5.711 6.460 1.00 0.00 N ATOM 309 CA GLY A 21 5.300 -5.217 6.768 1.00 0.00 C ATOM 310 C GLY A 21 5.779 -4.196 5.757 1.00 0.00 C ATOM 311 O GLY A 21 6.727 -4.451 5.012 1.00 0.00 O ATOM 0 H GLY A 21 3.255 -5.464 7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.298 -4.769 7.762 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.999 -6.053 6.797 1.00 0.00 H new ATOM 315 N LEU A 22 5.118 -3.042 5.723 1.00 0.00 N ATOM 316 CA LEU A 22 5.475 -1.985 4.785 1.00 0.00 C ATOM 317 C LEU A 22 5.162 -0.608 5.359 1.00 0.00 C ATOM 318 O LEU A 22 4.097 -0.398 5.941 1.00 0.00 O ATOM 319 CB LEU A 22 4.719 -2.174 3.467 1.00 0.00 C ATOM 320 CG LEU A 22 5.560 -1.991 2.203 1.00 0.00 C ATOM 321 CD1 LEU A 22 6.145 -3.320 1.754 1.00 0.00 C ATOM 322 CD2 LEU A 22 4.722 -1.372 1.093 1.00 0.00 C ATOM 0 H LEU A 22 4.333 -2.816 6.334 1.00 0.00 H new ATOM 0 HA LEU A 22 6.548 -2.047 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.286 -3.174 3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.889 -1.468 3.438 1.00 0.00 H new ATOM 0 HG LEU A 22 6.384 -1.315 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.740 -3.170 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.778 -3.724 2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.337 -4.020 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.335 -1.248 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.879 -2.025 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.351 -0.399 1.416 1.00 0.00 H new ATOM 334 N THR A 23 6.084 0.330 5.170 1.00 0.00 N ATOM 335 CA THR A 23 5.896 1.697 5.649 1.00 0.00 C ATOM 336 C THR A 23 5.588 2.604 4.463 1.00 0.00 C ATOM 337 O THR A 23 6.367 2.673 3.511 1.00 0.00 O ATOM 338 CB THR A 23 7.145 2.192 6.395 1.00 0.00 C ATOM 339 OG1 THR A 23 7.921 1.105 6.870 1.00 0.00 O ATOM 340 CG2 THR A 23 6.820 3.074 7.584 1.00 0.00 C ATOM 0 H THR A 23 6.969 0.170 4.689 1.00 0.00 H new ATOM 0 HA THR A 23 5.061 1.718 6.349 1.00 0.00 H new ATOM 0 HB THR A 23 7.700 2.778 5.662 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.511 1.414 7.589 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.745 3.389 8.067 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.269 3.952 7.246 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.212 2.516 8.296 1.00 0.00 H new ATOM 348 N VAL A 24 4.436 3.271 4.505 1.00 0.00 N ATOM 349 CA VAL A 24 4.021 4.139 3.407 1.00 0.00 C ATOM 350 C VAL A 24 3.584 5.522 3.892 1.00 0.00 C ATOM 351 O VAL A 24 2.994 5.661 4.964 1.00 0.00 O ATOM 352 CB VAL A 24 2.866 3.499 2.607 1.00 0.00 C ATOM 353 CG1 VAL A 24 2.563 4.308 1.360 1.00 0.00 C ATOM 354 CG2 VAL A 24 3.192 2.054 2.247 1.00 0.00 C ATOM 0 H VAL A 24 3.778 3.227 5.283 1.00 0.00 H new ATOM 0 HA VAL A 24 4.894 4.261 2.765 1.00 0.00 H new ATOM 0 HB VAL A 24 1.977 3.499 3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.746 3.839 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.275 5.320 1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.450 4.347 0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.364 1.624 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.097 2.025 1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.348 1.478 3.159 1.00 0.00 H new ATOM 364 N SER A 25 3.870 6.537 3.074 1.00 0.00 N ATOM 365 CA SER A 25 3.507 7.918 3.385 1.00 0.00 C ATOM 366 C SER A 25 2.991 8.634 2.133 1.00 0.00 C ATOM 367 O SER A 25 3.224 8.182 1.009 1.00 0.00 O ATOM 368 CB SER A 25 4.708 8.669 3.970 1.00 0.00 C ATOM 369 OG SER A 25 4.291 9.639 4.915 1.00 0.00 O ATOM 0 H SER A 25 4.356 6.425 2.184 1.00 0.00 H new ATOM 0 HA SER A 25 2.710 7.904 4.128 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.387 7.961 4.446 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.264 9.154 3.168 1.00 0.00 H new ATOM 0 HG SER A 25 5.075 10.103 5.275 1.00 0.00 H new ATOM 375 N GLY A 26 2.282 9.747 2.334 1.00 0.00 N ATOM 376 CA GLY A 26 1.735 10.502 1.215 1.00 0.00 C ATOM 377 C GLY A 26 0.323 10.066 0.858 1.00 0.00 C ATOM 378 O GLY A 26 -0.177 9.080 1.402 1.00 0.00 O ATOM 0 H GLY A 26 2.077 10.139 3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.733 11.564 1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.381 10.378 0.346 1.00 0.00 H new ATOM 382 N ASP A 27 -0.329 10.799 -0.048 1.00 0.00 N ATOM 383 CA ASP A 27 -1.696 10.462 -0.447 1.00 0.00 C ATOM 384 C ASP A 27 -1.818 10.276 -1.960 1.00 0.00 C ATOM 385 O ASP A 27 -1.778 9.144 -2.439 1.00 0.00 O ATOM 386 CB ASP A 27 -2.694 11.515 0.053 1.00 0.00 C ATOM 387 CG ASP A 27 -2.113 12.915 0.088 1.00 0.00 C ATOM 388 OD1 ASP A 27 -1.524 13.287 1.125 1.00 0.00 O ATOM 389 OD2 ASP A 27 -2.246 13.639 -0.921 1.00 0.00 O ATOM 0 H ASP A 27 0.062 11.618 -0.513 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.941 9.509 0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.573 11.509 -0.591 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.030 11.242 1.053 1.00 0.00 H new ATOM 394 N ASN A 28 -1.967 11.372 -2.719 1.00 0.00 N ATOM 395 CA ASN A 28 -2.085 11.264 -4.174 1.00 0.00 C ATOM 396 C ASN A 28 -0.950 10.389 -4.705 1.00 0.00 C ATOM 397 O ASN A 28 -1.191 9.307 -5.239 1.00 0.00 O ATOM 398 CB ASN A 28 -2.070 12.647 -4.841 1.00 0.00 C ATOM 399 CG ASN A 28 -3.413 13.019 -5.443 1.00 0.00 C ATOM 400 OD1 ASN A 28 -4.464 12.729 -4.871 1.00 0.00 O ATOM 401 ND2 ASN A 28 -3.387 13.665 -6.605 1.00 0.00 N ATOM 0 H ASN A 28 -2.008 12.324 -2.355 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.042 10.802 -4.418 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.785 13.398 -4.105 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.309 12.662 -5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.260 13.939 -7.056 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.494 13.886 -7.046 1.00 0.00 H new ATOM 408 N PRO A 29 0.309 10.827 -4.521 1.00 0.00 N ATOM 409 CA PRO A 29 1.477 10.072 -4.930 1.00 0.00 C ATOM 410 C PRO A 29 2.003 9.239 -3.763 1.00 0.00 C ATOM 411 O PRO A 29 3.042 9.558 -3.182 1.00 0.00 O ATOM 412 CB PRO A 29 2.454 11.184 -5.292 1.00 0.00 C ATOM 413 CG PRO A 29 2.143 12.286 -4.323 1.00 0.00 C ATOM 414 CD PRO A 29 0.713 12.084 -3.862 1.00 0.00 C ATOM 0 HA PRO A 29 1.297 9.366 -5.740 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.488 10.851 -5.196 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.319 11.512 -6.323 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.828 12.259 -3.476 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.261 13.260 -4.797 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.649 12.006 -2.777 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.075 12.916 -4.160 1.00 0.00 H new ATOM 422 N VAL A 30 1.264 8.188 -3.401 1.00 0.00 N ATOM 423 CA VAL A 30 1.651 7.341 -2.277 1.00 0.00 C ATOM 424 C VAL A 30 3.086 6.843 -2.451 1.00 0.00 C ATOM 425 O VAL A 30 3.439 6.310 -3.503 1.00 0.00 O ATOM 426 CB VAL A 30 0.708 6.131 -2.105 1.00 0.00 C ATOM 427 CG1 VAL A 30 1.011 5.411 -0.804 1.00 0.00 C ATOM 428 CG2 VAL A 30 -0.748 6.563 -2.140 1.00 0.00 C ATOM 0 H VAL A 30 0.401 7.907 -3.867 1.00 0.00 H new ATOM 0 HA VAL A 30 1.578 7.956 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 30 0.878 5.448 -2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.339 4.560 -0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.043 5.060 -0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.869 6.095 0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.389 5.690 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.937 7.270 -1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.963 7.039 -3.097 1.00 0.00 H new ATOM 438 N PHE A 31 3.916 7.034 -1.429 1.00 0.00 N ATOM 439 CA PHE A 31 5.312 6.614 -1.501 1.00 0.00 C ATOM 440 C PHE A 31 5.665 5.623 -0.394 1.00 0.00 C ATOM 441 O PHE A 31 5.487 5.906 0.793 1.00 0.00 O ATOM 442 CB PHE A 31 6.234 7.832 -1.423 1.00 0.00 C ATOM 443 CG PHE A 31 7.610 7.573 -1.969 1.00 0.00 C ATOM 444 CD1 PHE A 31 7.837 7.558 -3.336 1.00 0.00 C ATOM 445 CD2 PHE A 31 8.676 7.340 -1.115 1.00 0.00 C ATOM 446 CE1 PHE A 31 9.100 7.318 -3.841 1.00 0.00 C ATOM 447 CE2 PHE A 31 9.941 7.099 -1.613 1.00 0.00 C ATOM 448 CZ PHE A 31 10.153 7.087 -2.979 1.00 0.00 C ATOM 0 H PHE A 31 3.649 7.473 -0.548 1.00 0.00 H new ATOM 0 HA PHE A 31 5.454 6.110 -2.457 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.782 8.657 -1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.317 8.150 -0.384 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.016 7.736 -4.015 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.515 7.347 -0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.263 7.311 -4.909 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.764 6.920 -0.936 1.00 0.00 H new ATOM 0 HZ PHE A 31 11.141 6.897 -3.371 1.00 0.00 H new ATOM 458 N VAL A 32 6.186 4.466 -0.800 1.00 0.00 N ATOM 459 CA VAL A 32 6.595 3.426 0.137 1.00 0.00 C ATOM 460 C VAL A 32 8.021 3.683 0.609 1.00 0.00 C ATOM 461 O VAL A 32 8.919 3.910 -0.206 1.00 0.00 O ATOM 462 CB VAL A 32 6.520 2.023 -0.501 1.00 0.00 C ATOM 463 CG1 VAL A 32 6.831 0.947 0.529 1.00 0.00 C ATOM 464 CG2 VAL A 32 5.154 1.790 -1.132 1.00 0.00 C ATOM 0 H VAL A 32 6.335 4.226 -1.780 1.00 0.00 H new ATOM 0 HA VAL A 32 5.908 3.457 0.982 1.00 0.00 H new ATOM 0 HB VAL A 32 7.271 1.966 -1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.773 -0.035 0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.835 1.101 0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.108 1.003 1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.123 0.795 -1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.381 1.870 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.978 2.538 -1.905 1.00 0.00 H new ATOM 474 N GLN A 33 8.218 3.657 1.924 1.00 0.00 N ATOM 475 CA GLN A 33 9.530 3.900 2.511 1.00 0.00 C ATOM 476 C GLN A 33 10.272 2.594 2.802 1.00 0.00 C ATOM 477 O GLN A 33 11.208 2.239 2.086 1.00 0.00 O ATOM 478 CB GLN A 33 9.386 4.724 3.793 1.00 0.00 C ATOM 479 CG GLN A 33 9.689 6.199 3.596 1.00 0.00 C ATOM 480 CD GLN A 33 9.686 6.982 4.895 1.00 0.00 C ATOM 481 OE1 GLN A 33 8.930 7.942 5.053 1.00 0.00 O ATOM 482 NE2 GLN A 33 10.534 6.580 5.838 1.00 0.00 N ATOM 0 H GLN A 33 7.482 3.469 2.605 1.00 0.00 H new ATOM 0 HA GLN A 33 10.121 4.459 1.786 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.370 4.616 4.174 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.055 4.321 4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.663 6.304 3.117 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.952 6.628 2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.144 5.780 5.668 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.574 7.072 6.731 1.00 0.00 H new ATOM 491 N SER A 34 9.861 1.890 3.860 1.00 0.00 N ATOM 492 CA SER A 34 10.505 0.632 4.242 1.00 0.00 C ATOM 493 C SER A 34 9.621 -0.569 3.914 1.00 0.00 C ATOM 494 O SER A 34 8.390 -0.476 3.942 1.00 0.00 O ATOM 495 CB SER A 34 10.846 0.642 5.735 1.00 0.00 C ATOM 496 OG SER A 34 12.222 0.915 5.941 1.00 0.00 O ATOM 0 H SER A 34 9.088 2.169 4.465 1.00 0.00 H new ATOM 0 HA SER A 34 11.425 0.540 3.665 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.242 1.393 6.244 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.593 -0.322 6.176 1.00 0.00 H new ATOM 0 HG SER A 34 12.415 0.918 6.902 1.00 0.00 H new ATOM 502 N VAL A 35 10.264 -1.697 3.602 1.00 0.00 N ATOM 503 CA VAL A 35 9.552 -2.927 3.260 1.00 0.00 C ATOM 504 C VAL A 35 10.109 -4.130 4.026 1.00 0.00 C ATOM 505 O VAL A 35 11.293 -4.166 4.367 1.00 0.00 O ATOM 506 CB VAL A 35 9.626 -3.211 1.742 1.00 0.00 C ATOM 507 CG1 VAL A 35 9.012 -2.062 0.954 1.00 0.00 C ATOM 508 CG2 VAL A 35 11.065 -3.452 1.300 1.00 0.00 C ATOM 0 H VAL A 35 11.280 -1.782 3.580 1.00 0.00 H new ATOM 0 HA VAL A 35 8.511 -2.779 3.547 1.00 0.00 H new ATOM 0 HB VAL A 35 9.054 -4.117 1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.073 -2.279 -0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.967 -1.941 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.556 -1.142 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.088 -3.649 0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.666 -2.569 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.471 -4.310 1.836 1.00 0.00 H new ATOM 518 N LYS A 36 9.244 -5.112 4.293 1.00 0.00 N ATOM 519 CA LYS A 36 9.638 -6.322 5.018 1.00 0.00 C ATOM 520 C LYS A 36 10.798 -7.033 4.320 1.00 0.00 C ATOM 521 O LYS A 36 10.730 -7.324 3.125 1.00 0.00 O ATOM 522 CB LYS A 36 8.447 -7.282 5.148 1.00 0.00 C ATOM 523 CG LYS A 36 7.949 -7.451 6.575 1.00 0.00 C ATOM 524 CD LYS A 36 8.740 -8.513 7.324 1.00 0.00 C ATOM 525 CE LYS A 36 9.299 -7.975 8.636 1.00 0.00 C ATOM 526 NZ LYS A 36 8.482 -8.392 9.812 1.00 0.00 N ATOM 0 H LYS A 36 8.262 -5.092 4.016 1.00 0.00 H new ATOM 0 HA LYS A 36 9.966 -6.019 6.012 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.628 -6.917 4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.734 -8.257 4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.026 -6.500 7.102 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.894 -7.724 6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.098 -9.371 7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.558 -8.868 6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.323 -8.327 8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.340 -6.887 8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.900 -8.003 10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.511 -8.034 9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.464 -9.430 9.871 1.00 0.00 H new ATOM 540 N GLU A 37 11.860 -7.307 5.079 1.00 0.00 N ATOM 541 CA GLU A 37 13.042 -7.983 4.541 1.00 0.00 C ATOM 542 C GLU A 37 12.753 -9.454 4.233 1.00 0.00 C ATOM 543 O GLU A 37 13.315 -10.017 3.291 1.00 0.00 O ATOM 544 CB GLU A 37 14.210 -7.878 5.525 1.00 0.00 C ATOM 545 CG GLU A 37 15.572 -8.092 4.878 1.00 0.00 C ATOM 546 CD GLU A 37 16.696 -8.152 5.893 1.00 0.00 C ATOM 547 OE1 GLU A 37 17.240 -7.083 6.243 1.00 0.00 O ATOM 548 OE2 GLU A 37 17.035 -9.269 6.339 1.00 0.00 O ATOM 0 H GLU A 37 11.926 -7.071 6.069 1.00 0.00 H new ATOM 0 HA GLU A 37 13.311 -7.486 3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.191 -6.895 5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.074 -8.614 6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.556 -9.018 4.304 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.766 -7.284 4.173 1.00 0.00 H new ATOM 555 N ASP A 38 11.880 -10.075 5.032 1.00 0.00 N ATOM 556 CA ASP A 38 11.525 -11.476 4.834 1.00 0.00 C ATOM 557 C ASP A 38 10.033 -11.706 5.082 1.00 0.00 C ATOM 558 O ASP A 38 9.646 -12.473 5.968 1.00 0.00 O ATOM 559 CB ASP A 38 12.360 -12.375 5.754 1.00 0.00 C ATOM 560 CG ASP A 38 12.713 -13.699 5.102 1.00 0.00 C ATOM 561 OD1 ASP A 38 11.785 -14.413 4.662 1.00 0.00 O ATOM 562 OD2 ASP A 38 13.917 -14.021 5.029 1.00 0.00 O ATOM 0 H ASP A 38 11.409 -9.628 5.819 1.00 0.00 H new ATOM 0 HA ASP A 38 11.741 -11.734 3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.276 -11.854 6.033 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.807 -12.562 6.675 1.00 0.00 H new ATOM 567 N GLY A 39 9.198 -11.036 4.290 1.00 0.00 N ATOM 568 CA GLY A 39 7.759 -11.178 4.431 1.00 0.00 C ATOM 569 C GLY A 39 7.020 -10.949 3.125 1.00 0.00 C ATOM 570 O GLY A 39 7.633 -10.922 2.052 1.00 0.00 O ATOM 0 H GLY A 39 9.494 -10.397 3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.531 -12.177 4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.399 -10.470 5.177 1.00 0.00 H new ATOM 574 N ALA A 40 5.700 -10.771 3.216 1.00 0.00 N ATOM 575 CA ALA A 40 4.866 -10.533 2.037 1.00 0.00 C ATOM 576 C ALA A 40 5.421 -9.397 1.175 1.00 0.00 C ATOM 577 O ALA A 40 5.293 -9.423 -0.049 1.00 0.00 O ATOM 578 CB ALA A 40 3.435 -10.223 2.451 1.00 0.00 C ATOM 0 H ALA A 40 5.185 -10.787 4.096 1.00 0.00 H new ATOM 0 HA ALA A 40 4.875 -11.444 1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.829 -10.049 1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.027 -11.066 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.423 -9.332 3.079 1.00 0.00 H new ATOM 584 N ALA A 41 6.037 -8.403 1.819 1.00 0.00 N ATOM 585 CA ALA A 41 6.611 -7.264 1.107 1.00 0.00 C ATOM 586 C ALA A 41 7.656 -7.719 0.090 1.00 0.00 C ATOM 587 O ALA A 41 7.477 -7.536 -1.114 1.00 0.00 O ATOM 588 CB ALA A 41 7.223 -6.277 2.088 1.00 0.00 C ATOM 0 H ALA A 41 6.150 -8.366 2.832 1.00 0.00 H new ATOM 0 HA ALA A 41 5.806 -6.767 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.646 -5.435 1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.453 -5.917 2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.010 -6.771 2.658 1.00 0.00 H new ATOM 594 N MET A 42 8.743 -8.315 0.583 1.00 0.00 N ATOM 595 CA MET A 42 9.813 -8.801 -0.288 1.00 0.00 C ATOM 596 C MET A 42 9.331 -9.974 -1.144 1.00 0.00 C ATOM 597 O MET A 42 9.740 -10.115 -2.297 1.00 0.00 O ATOM 598 CB MET A 42 11.043 -9.210 0.533 1.00 0.00 C ATOM 599 CG MET A 42 10.839 -10.454 1.384 1.00 0.00 C ATOM 600 SD MET A 42 11.542 -11.934 0.631 1.00 0.00 S ATOM 601 CE MET A 42 10.599 -13.212 1.458 1.00 0.00 C ATOM 0 H MET A 42 8.905 -8.472 1.578 1.00 0.00 H new ATOM 0 HA MET A 42 10.098 -7.985 -0.953 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.879 -9.381 -0.146 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.324 -8.381 1.183 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.293 -10.298 2.363 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.772 -10.606 1.548 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.389 -14.020 0.758 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.173 -13.601 2.299 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.660 -12.794 1.821 1.00 0.00 H new ATOM 611 N ARG A 43 8.452 -10.809 -0.577 1.00 0.00 N ATOM 612 CA ARG A 43 7.914 -11.961 -1.302 1.00 0.00 C ATOM 613 C ARG A 43 7.094 -11.507 -2.510 1.00 0.00 C ATOM 614 O ARG A 43 7.142 -12.130 -3.570 1.00 0.00 O ATOM 615 CB ARG A 43 7.051 -12.833 -0.381 1.00 0.00 C ATOM 616 CG ARG A 43 7.341 -14.322 -0.504 1.00 0.00 C ATOM 617 CD ARG A 43 6.911 -14.866 -1.859 1.00 0.00 C ATOM 618 NE ARG A 43 5.456 -14.858 -2.017 1.00 0.00 N ATOM 619 CZ ARG A 43 4.641 -15.789 -1.511 1.00 0.00 C ATOM 620 NH1 ARG A 43 5.133 -16.804 -0.804 1.00 0.00 N ATOM 621 NH2 ARG A 43 3.330 -15.702 -1.709 1.00 0.00 N ATOM 0 H ARG A 43 8.101 -10.708 0.375 1.00 0.00 H new ATOM 0 HA ARG A 43 8.757 -12.555 -1.654 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.211 -12.524 0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.000 -12.656 -0.608 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.407 -14.499 -0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.820 -14.861 0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.365 -14.269 -2.650 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.283 -15.884 -1.975 1.00 0.00 H new ATOM 0 HE ARG A 43 5.037 -14.094 -2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.138 -16.875 -0.645 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.505 -17.511 -0.421 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.946 -14.925 -2.247 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.708 -16.412 -1.323 1.00 0.00 H new ATOM 635 N ALA A 44 6.344 -10.417 -2.342 1.00 0.00 N ATOM 636 CA ALA A 44 5.517 -9.878 -3.421 1.00 0.00 C ATOM 637 C ALA A 44 6.355 -9.112 -4.451 1.00 0.00 C ATOM 638 O ALA A 44 5.881 -8.822 -5.550 1.00 0.00 O ATOM 639 CB ALA A 44 4.433 -8.973 -2.851 1.00 0.00 C ATOM 0 H ALA A 44 6.293 -9.891 -1.470 1.00 0.00 H new ATOM 0 HA ALA A 44 5.052 -10.721 -3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.824 -8.578 -3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.802 -9.545 -2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.896 -8.147 -2.310 1.00 0.00 H new ATOM 645 N GLY A 45 7.599 -8.782 -4.090 1.00 0.00 N ATOM 646 CA GLY A 45 8.471 -8.049 -4.993 1.00 0.00 C ATOM 647 C GLY A 45 8.424 -6.547 -4.762 1.00 0.00 C ATOM 648 O GLY A 45 8.732 -5.767 -5.664 1.00 0.00 O ATOM 0 H GLY A 45 8.015 -9.011 -3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.495 -8.400 -4.868 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.184 -8.263 -6.023 1.00 0.00 H new ATOM 652 N VAL A 46 8.040 -6.140 -3.550 1.00 0.00 N ATOM 653 CA VAL A 46 7.957 -4.725 -3.206 1.00 0.00 C ATOM 654 C VAL A 46 9.244 -4.253 -2.537 1.00 0.00 C ATOM 655 O VAL A 46 9.684 -4.833 -1.542 1.00 0.00 O ATOM 656 CB VAL A 46 6.762 -4.433 -2.270 1.00 0.00 C ATOM 657 CG1 VAL A 46 6.587 -2.932 -2.076 1.00 0.00 C ATOM 658 CG2 VAL A 46 5.481 -5.056 -2.813 1.00 0.00 C ATOM 0 H VAL A 46 7.782 -6.773 -2.793 1.00 0.00 H new ATOM 0 HA VAL A 46 7.810 -4.181 -4.139 1.00 0.00 H new ATOM 0 HB VAL A 46 6.974 -4.883 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.741 -2.747 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.492 -2.514 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.403 -2.459 -3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.655 -4.837 -2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.264 -4.642 -3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.607 -6.136 -2.893 1.00 0.00 H new ATOM 668 N GLN A 47 9.844 -3.200 -3.091 1.00 0.00 N ATOM 669 CA GLN A 47 11.086 -2.650 -2.553 1.00 0.00 C ATOM 670 C GLN A 47 10.852 -1.296 -1.889 1.00 0.00 C ATOM 671 O GLN A 47 9.745 -0.752 -1.926 1.00 0.00 O ATOM 672 CB GLN A 47 12.135 -2.507 -3.662 1.00 0.00 C ATOM 673 CG GLN A 47 12.928 -3.779 -3.930 1.00 0.00 C ATOM 674 CD GLN A 47 13.928 -4.099 -2.829 1.00 0.00 C ATOM 675 OE1 GLN A 47 13.800 -3.629 -1.699 1.00 0.00 O ATOM 676 NE2 GLN A 47 14.931 -4.909 -3.156 1.00 0.00 N ATOM 0 H GLN A 47 9.489 -2.711 -3.913 1.00 0.00 H new ATOM 0 HA GLN A 47 11.453 -3.345 -1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.637 -2.200 -4.582 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.827 -1.709 -3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.237 -4.615 -4.040 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.458 -3.677 -4.877 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.001 -5.277 -4.105 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.631 -5.162 -2.458 1.00 0.00 H new ATOM 685 N THR A 48 11.910 -0.759 -1.283 1.00 0.00 N ATOM 686 CA THR A 48 11.846 0.531 -0.606 1.00 0.00 C ATOM 687 C THR A 48 11.909 1.678 -1.609 1.00 0.00 C ATOM 688 O THR A 48 12.684 1.639 -2.568 1.00 0.00 O ATOM 689 CB THR A 48 12.993 0.654 0.401 1.00 0.00 C ATOM 690 OG1 THR A 48 14.227 0.281 -0.192 1.00 0.00 O ATOM 691 CG2 THR A 48 12.802 -0.204 1.634 1.00 0.00 C ATOM 0 H THR A 48 12.828 -1.203 -1.248 1.00 0.00 H new ATOM 0 HA THR A 48 10.895 0.590 -0.077 1.00 0.00 H new ATOM 0 HB THR A 48 12.999 1.702 0.702 1.00 0.00 H new ATOM 0 HG1 THR A 48 14.947 0.368 0.468 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.650 -0.070 2.306 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.885 0.091 2.144 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.734 -1.252 1.341 1.00 0.00 H new ATOM 699 N GLY A 49 11.087 2.700 -1.378 1.00 0.00 N ATOM 700 CA GLY A 49 11.056 3.851 -2.263 1.00 0.00 C ATOM 701 C GLY A 49 10.192 3.622 -3.491 1.00 0.00 C ATOM 702 O GLY A 49 10.546 4.050 -4.590 1.00 0.00 O ATOM 0 H GLY A 49 10.440 2.750 -0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.680 4.715 -1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.072 4.090 -2.578 1.00 0.00 H new ATOM 706 N ASP A 50 9.060 2.943 -3.302 1.00 0.00 N ATOM 707 CA ASP A 50 8.143 2.655 -4.404 1.00 0.00 C ATOM 708 C ASP A 50 6.975 3.639 -4.406 1.00 0.00 C ATOM 709 O ASP A 50 6.232 3.731 -3.428 1.00 0.00 O ATOM 710 CB ASP A 50 7.622 1.218 -4.292 1.00 0.00 C ATOM 711 CG ASP A 50 8.339 0.268 -5.230 1.00 0.00 C ATOM 712 OD1 ASP A 50 9.420 -0.231 -4.856 1.00 0.00 O ATOM 713 OD2 ASP A 50 7.820 0.024 -6.338 1.00 0.00 O ATOM 0 H ASP A 50 8.757 2.583 -2.397 1.00 0.00 H new ATOM 0 HA ASP A 50 8.686 2.765 -5.343 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.742 0.870 -3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.554 1.204 -4.511 1.00 0.00 H new ATOM 718 N ARG A 51 6.821 4.381 -5.503 1.00 0.00 N ATOM 719 CA ARG A 51 5.746 5.366 -5.618 1.00 0.00 C ATOM 720 C ARG A 51 4.425 4.706 -6.017 1.00 0.00 C ATOM 721 O ARG A 51 4.049 4.709 -7.191 1.00 0.00 O ATOM 722 CB ARG A 51 6.131 6.444 -6.637 1.00 0.00 C ATOM 723 CG ARG A 51 5.676 7.844 -6.257 1.00 0.00 C ATOM 724 CD ARG A 51 6.781 8.866 -6.480 1.00 0.00 C ATOM 725 NE ARG A 51 6.294 10.241 -6.361 1.00 0.00 N ATOM 726 CZ ARG A 51 7.080 11.297 -6.135 1.00 0.00 C ATOM 727 NH1 ARG A 51 8.395 11.146 -5.996 1.00 0.00 N ATOM 728 NH2 ARG A 51 6.547 12.511 -6.049 1.00 0.00 N ATOM 0 H ARG A 51 7.425 4.319 -6.322 1.00 0.00 H new ATOM 0 HA ARG A 51 5.605 5.829 -4.641 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.214 6.445 -6.758 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.703 6.184 -7.605 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.801 8.117 -6.847 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.371 7.858 -5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.578 8.701 -5.755 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.214 8.720 -7.469 1.00 0.00 H new ATOM 0 HE ARG A 51 5.292 10.403 -6.457 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.811 10.217 -6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.986 11.959 -5.824 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.540 12.635 -6.155 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.145 13.319 -5.876 1.00 0.00 H new ATOM 742 N ILE A 52 3.717 4.144 -5.033 1.00 0.00 N ATOM 743 CA ILE A 52 2.435 3.488 -5.293 1.00 0.00 C ATOM 744 C ILE A 52 1.358 4.511 -5.671 1.00 0.00 C ATOM 745 O ILE A 52 1.227 5.568 -5.040 1.00 0.00 O ATOM 746 CB ILE A 52 1.967 2.621 -4.092 1.00 0.00 C ATOM 747 CG1 ILE A 52 0.546 2.075 -4.325 1.00 0.00 C ATOM 748 CG2 ILE A 52 2.057 3.394 -2.786 1.00 0.00 C ATOM 749 CD1 ILE A 52 -0.568 3.028 -3.932 1.00 0.00 C ATOM 0 H ILE A 52 4.008 4.131 -4.056 1.00 0.00 H new ATOM 0 HA ILE A 52 2.589 2.818 -6.139 1.00 0.00 H new ATOM 0 HB ILE A 52 2.641 1.768 -4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.436 1.823 -5.380 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.430 1.149 -3.762 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.723 2.760 -1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.090 3.698 -2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.423 4.279 -2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.533 2.561 -4.130 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.489 3.262 -2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.483 3.946 -4.513 1.00 0.00 H new ATOM 761 N ILE A 53 0.601 4.189 -6.719 1.00 0.00 N ATOM 762 CA ILE A 53 -0.454 5.069 -7.210 1.00 0.00 C ATOM 763 C ILE A 53 -1.847 4.522 -6.889 1.00 0.00 C ATOM 764 O ILE A 53 -2.738 5.280 -6.500 1.00 0.00 O ATOM 765 CB ILE A 53 -0.335 5.281 -8.735 1.00 0.00 C ATOM 766 CG1 ILE A 53 1.074 5.757 -9.104 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.381 6.278 -9.221 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.278 5.964 -10.589 1.00 0.00 C ATOM 0 H ILE A 53 0.701 3.321 -7.245 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.327 6.023 -6.699 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.515 4.326 -9.229 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.279 6.693 -8.584 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.800 5.027 -8.745 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.281 6.414 -10.298 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.378 5.899 -8.994 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.233 7.234 -8.719 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.298 6.301 -10.773 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.106 5.025 -11.114 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.577 6.716 -10.951 1.00 0.00 H new ATOM 780 N LYS A 54 -2.042 3.211 -7.065 1.00 0.00 N ATOM 781 CA LYS A 54 -3.344 2.593 -6.798 1.00 0.00 C ATOM 782 C LYS A 54 -3.208 1.345 -5.926 1.00 0.00 C ATOM 783 O LYS A 54 -2.167 0.688 -5.928 1.00 0.00 O ATOM 784 CB LYS A 54 -4.037 2.229 -8.115 1.00 0.00 C ATOM 785 CG LYS A 54 -4.405 3.434 -8.967 1.00 0.00 C ATOM 786 CD LYS A 54 -3.527 3.531 -10.208 1.00 0.00 C ATOM 787 CE LYS A 54 -4.194 2.894 -11.420 1.00 0.00 C ATOM 788 NZ LYS A 54 -5.413 3.640 -11.850 1.00 0.00 N ATOM 0 H LYS A 54 -1.323 2.563 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.948 3.321 -6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.382 1.575 -8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.941 1.662 -7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.451 3.364 -9.265 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.302 4.344 -8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.311 4.578 -10.420 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.572 3.040 -10.018 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.483 2.856 -12.246 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.464 1.865 -11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.598 3.452 -12.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.228 3.329 -11.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.263 4.660 -11.710 1.00 0.00 H new ATOM 802 N VAL A 55 -4.273 1.027 -5.188 1.00 0.00 N ATOM 803 CA VAL A 55 -4.287 -0.143 -4.312 1.00 0.00 C ATOM 804 C VAL A 55 -5.491 -1.039 -4.614 1.00 0.00 C ATOM 805 O VAL A 55 -6.640 -0.646 -4.403 1.00 0.00 O ATOM 806 CB VAL A 55 -4.299 0.262 -2.819 1.00 0.00 C ATOM 807 CG1 VAL A 55 -3.022 1.008 -2.462 1.00 0.00 C ATOM 808 CG2 VAL A 55 -5.526 1.102 -2.487 1.00 0.00 C ATOM 0 H VAL A 55 -5.139 1.566 -5.181 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.371 -0.700 -4.509 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.348 -0.648 -2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.046 1.286 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.161 0.366 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.943 1.907 -3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.507 1.372 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.522 2.008 -3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.428 0.528 -2.699 1.00 0.00 H new ATOM 818 N ASN A 56 -5.210 -2.240 -5.122 1.00 0.00 N ATOM 819 CA ASN A 56 -6.247 -3.213 -5.476 1.00 0.00 C ATOM 820 C ASN A 56 -7.203 -2.646 -6.527 1.00 0.00 C ATOM 821 O ASN A 56 -8.425 -2.709 -6.376 1.00 0.00 O ATOM 822 CB ASN A 56 -7.018 -3.664 -4.227 1.00 0.00 C ATOM 823 CG ASN A 56 -7.080 -5.178 -4.110 1.00 0.00 C ATOM 824 OD1 ASN A 56 -6.213 -5.888 -4.625 1.00 0.00 O ATOM 825 ND2 ASN A 56 -8.104 -5.683 -3.431 1.00 0.00 N ATOM 0 H ASN A 56 -4.260 -2.566 -5.300 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.754 -4.084 -5.908 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.541 -3.251 -3.338 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.030 -3.262 -4.261 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.194 -6.693 -3.320 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.800 -5.061 -3.020 1.00 0.00 H new ATOM 832 N GLY A 57 -6.629 -2.093 -7.598 1.00 0.00 N ATOM 833 CA GLY A 57 -7.435 -1.518 -8.664 1.00 0.00 C ATOM 834 C GLY A 57 -8.302 -0.365 -8.182 1.00 0.00 C ATOM 835 O GLY A 57 -9.349 -0.084 -8.768 1.00 0.00 O ATOM 0 H GLY A 57 -5.621 -2.034 -7.745 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.780 -1.167 -9.461 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.071 -2.293 -9.092 1.00 0.00 H new ATOM 839 N THR A 58 -7.866 0.301 -7.112 1.00 0.00 N ATOM 840 CA THR A 58 -8.606 1.424 -6.548 1.00 0.00 C ATOM 841 C THR A 58 -7.694 2.638 -6.406 1.00 0.00 C ATOM 842 O THR A 58 -6.720 2.607 -5.653 1.00 0.00 O ATOM 843 CB THR A 58 -9.205 1.045 -5.182 1.00 0.00 C ATOM 844 OG1 THR A 58 -9.348 -0.361 -5.055 1.00 0.00 O ATOM 845 CG2 THR A 58 -10.564 1.657 -4.930 1.00 0.00 C ATOM 0 H THR A 58 -7.001 0.079 -6.619 1.00 0.00 H new ATOM 0 HA THR A 58 -9.422 1.675 -7.225 1.00 0.00 H new ATOM 0 HB THR A 58 -8.498 1.438 -4.451 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.488 -0.755 -4.799 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.926 1.348 -3.949 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.485 2.744 -4.962 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.262 1.321 -5.697 1.00 0.00 H new ATOM 853 N LEU A 59 -8.013 3.704 -7.141 1.00 0.00 N ATOM 854 CA LEU A 59 -7.218 4.930 -7.105 1.00 0.00 C ATOM 855 C LEU A 59 -7.254 5.557 -5.717 1.00 0.00 C ATOM 856 O LEU A 59 -8.327 5.819 -5.173 1.00 0.00 O ATOM 857 CB LEU A 59 -7.729 5.936 -8.143 1.00 0.00 C ATOM 858 CG LEU A 59 -7.635 5.471 -9.599 1.00 0.00 C ATOM 859 CD1 LEU A 59 -9.011 5.102 -10.135 1.00 0.00 C ATOM 860 CD2 LEU A 59 -6.995 6.550 -10.461 1.00 0.00 C ATOM 0 H LEU A 59 -8.816 3.742 -7.768 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.187 4.668 -7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.770 6.169 -7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.165 6.863 -8.037 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.006 4.582 -9.636 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.922 4.774 -11.171 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.431 4.296 -9.534 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.666 5.972 -10.085 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.936 6.204 -11.493 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.598 7.457 -10.417 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.992 6.763 -10.092 1.00 0.00 H new ATOM 872 N VAL A 60 -6.073 5.802 -5.150 1.00 0.00 N ATOM 873 CA VAL A 60 -5.972 6.408 -3.824 1.00 0.00 C ATOM 874 C VAL A 60 -5.781 7.926 -3.919 1.00 0.00 C ATOM 875 O VAL A 60 -5.207 8.545 -3.020 1.00 0.00 O ATOM 876 CB VAL A 60 -4.817 5.794 -3.001 1.00 0.00 C ATOM 877 CG1 VAL A 60 -5.032 4.297 -2.804 1.00 0.00 C ATOM 878 CG2 VAL A 60 -3.471 6.067 -3.661 1.00 0.00 C ATOM 0 H VAL A 60 -5.176 5.591 -5.587 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.912 6.199 -3.313 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.811 6.269 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.208 3.884 -2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.970 4.131 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.073 3.804 -3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.675 5.624 -3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.460 5.629 -4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.314 7.143 -3.735 1.00 0.00 H new ATOM 888 N THR A 61 -6.273 8.520 -5.009 1.00 0.00 N ATOM 889 CA THR A 61 -6.163 9.962 -5.215 1.00 0.00 C ATOM 890 C THR A 61 -7.518 10.648 -5.008 1.00 0.00 C ATOM 891 O THR A 61 -7.822 11.656 -5.652 1.00 0.00 O ATOM 892 CB THR A 61 -5.624 10.253 -6.622 1.00 0.00 C ATOM 893 OG1 THR A 61 -6.286 9.457 -7.592 1.00 0.00 O ATOM 894 CG2 THR A 61 -4.137 9.996 -6.759 1.00 0.00 C ATOM 0 H THR A 61 -6.751 8.023 -5.761 1.00 0.00 H new ATOM 0 HA THR A 61 -5.465 10.363 -4.480 1.00 0.00 H new ATOM 0 HB THR A 61 -5.812 11.314 -6.787 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.928 9.660 -8.481 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.821 10.221 -7.778 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.592 10.632 -6.061 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.927 8.950 -6.537 1.00 0.00 H new ATOM 902 N HIS A 62 -8.328 10.093 -4.101 1.00 0.00 N ATOM 903 CA HIS A 62 -9.651 10.642 -3.800 1.00 0.00 C ATOM 904 C HIS A 62 -10.199 10.086 -2.480 1.00 0.00 C ATOM 905 O HIS A 62 -10.764 10.829 -1.676 1.00 0.00 O ATOM 906 CB HIS A 62 -10.630 10.333 -4.940 1.00 0.00 C ATOM 907 CG HIS A 62 -11.638 11.418 -5.185 1.00 0.00 C ATOM 908 ND1 HIS A 62 -12.366 11.518 -6.353 1.00 0.00 N ATOM 909 CD2 HIS A 62 -12.041 12.452 -4.405 1.00 0.00 C ATOM 910 CE1 HIS A 62 -13.171 12.563 -6.280 1.00 0.00 C ATOM 911 NE2 HIS A 62 -12.994 13.146 -5.109 1.00 0.00 N ATOM 0 H HIS A 62 -8.088 9.261 -3.562 1.00 0.00 H new ATOM 0 HA HIS A 62 -9.546 11.722 -3.699 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -10.064 10.162 -5.856 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -11.156 9.406 -4.713 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.680 12.686 -3.415 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -13.858 12.886 -7.048 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -13.485 13.977 -4.780 1.00 0.00 H new ATOM 920 N SER A 63 -10.034 8.776 -2.270 1.00 0.00 N ATOM 921 CA SER A 63 -10.516 8.117 -1.053 1.00 0.00 C ATOM 922 C SER A 63 -9.811 8.655 0.197 1.00 0.00 C ATOM 923 O SER A 63 -8.857 9.429 0.103 1.00 0.00 O ATOM 924 CB SER A 63 -10.320 6.603 -1.155 1.00 0.00 C ATOM 925 OG SER A 63 -11.406 5.910 -0.562 1.00 0.00 O ATOM 0 H SER A 63 -9.569 8.151 -2.929 1.00 0.00 H new ATOM 0 HA SER A 63 -11.580 8.336 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.228 6.314 -2.202 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.390 6.319 -0.663 1.00 0.00 H new ATOM 0 HG SER A 63 -11.740 5.231 -1.185 1.00 0.00 H new ATOM 931 N ASN A 64 -10.299 8.241 1.369 1.00 0.00 N ATOM 932 CA ASN A 64 -9.730 8.683 2.642 1.00 0.00 C ATOM 933 C ASN A 64 -8.662 7.714 3.149 1.00 0.00 C ATOM 934 O ASN A 64 -8.447 6.649 2.569 1.00 0.00 O ATOM 935 CB ASN A 64 -10.839 8.836 3.688 1.00 0.00 C ATOM 936 CG ASN A 64 -11.243 10.284 3.894 1.00 0.00 C ATOM 937 OD1 ASN A 64 -11.092 10.830 4.986 1.00 0.00 O ATOM 938 ND2 ASN A 64 -11.759 10.915 2.843 1.00 0.00 N ATOM 0 H ASN A 64 -11.087 7.600 1.461 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.252 9.648 2.476 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.710 8.259 3.377 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.501 8.417 4.636 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.047 11.890 2.924 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.867 10.424 1.956 1.00 0.00 H new ATOM 945 N HIS A 65 -7.997 8.101 4.241 1.00 0.00 N ATOM 946 CA HIS A 65 -6.943 7.282 4.841 1.00 0.00 C ATOM 947 C HIS A 65 -7.493 5.936 5.320 1.00 0.00 C ATOM 948 O HIS A 65 -7.118 4.887 4.797 1.00 0.00 O ATOM 949 CB HIS A 65 -6.287 8.035 6.008 1.00 0.00 C ATOM 950 CG HIS A 65 -5.286 7.218 6.766 1.00 0.00 C ATOM 951 ND1 HIS A 65 -5.642 6.218 7.648 1.00 0.00 N ATOM 952 CD2 HIS A 65 -3.934 7.252 6.766 1.00 0.00 C ATOM 953 CE1 HIS A 65 -4.555 5.675 8.156 1.00 0.00 C ATOM 954 NE2 HIS A 65 -3.504 6.283 7.638 1.00 0.00 N ATOM 0 H HIS A 65 -8.172 8.980 4.728 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.191 7.085 4.077 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.796 8.928 5.622 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.064 8.370 6.695 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.309 7.917 6.188 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.528 4.869 8.874 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.530 6.068 7.851 1.00 0.00 H new ATOM 963 N LEU A 66 -8.380 5.977 6.321 1.00 0.00 N ATOM 964 CA LEU A 66 -8.981 4.759 6.875 1.00 0.00 C ATOM 965 C LEU A 66 -9.573 3.881 5.768 1.00 0.00 C ATOM 966 O LEU A 66 -9.527 2.655 5.857 1.00 0.00 O ATOM 967 CB LEU A 66 -10.066 5.109 7.904 1.00 0.00 C ATOM 968 CG LEU A 66 -9.603 5.135 9.367 1.00 0.00 C ATOM 969 CD1 LEU A 66 -8.919 3.828 9.742 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.677 6.318 9.615 1.00 0.00 C ATOM 0 H LEU A 66 -8.697 6.840 6.763 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.190 4.198 7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.478 6.087 7.654 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.878 4.388 7.810 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.483 5.250 10.000 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.600 3.870 10.783 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.617 3.001 9.610 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.050 3.675 9.102 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.360 6.319 10.658 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.802 6.237 8.969 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.205 7.246 9.396 1.00 0.00 H new ATOM 982 N GLU A 67 -10.118 4.514 4.724 1.00 0.00 N ATOM 983 CA GLU A 67 -10.705 3.779 3.603 1.00 0.00 C ATOM 984 C GLU A 67 -9.673 2.864 2.947 1.00 0.00 C ATOM 985 O GLU A 67 -9.950 1.694 2.682 1.00 0.00 O ATOM 986 CB GLU A 67 -11.269 4.750 2.559 1.00 0.00 C ATOM 987 CG GLU A 67 -12.607 4.316 1.982 1.00 0.00 C ATOM 988 CD GLU A 67 -12.493 3.077 1.115 1.00 0.00 C ATOM 989 OE1 GLU A 67 -12.171 3.219 -0.083 1.00 0.00 O ATOM 990 OE2 GLU A 67 -12.725 1.966 1.634 1.00 0.00 O ATOM 0 H GLU A 67 -10.164 5.529 4.633 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.516 3.166 3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.381 5.734 3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.550 4.855 1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.304 4.122 2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.026 5.131 1.392 1.00 0.00 H new ATOM 997 N VAL A 68 -8.482 3.404 2.689 1.00 0.00 N ATOM 998 CA VAL A 68 -7.409 2.634 2.064 1.00 0.00 C ATOM 999 C VAL A 68 -7.044 1.421 2.914 1.00 0.00 C ATOM 1000 O VAL A 68 -7.020 0.293 2.421 1.00 0.00 O ATOM 1001 CB VAL A 68 -6.143 3.493 1.837 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -5.087 2.702 1.077 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -6.488 4.781 1.099 1.00 0.00 C ATOM 0 H VAL A 68 -8.237 4.371 2.903 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.783 2.302 1.095 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.734 3.761 2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.204 3.324 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.814 1.816 1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.486 2.399 0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.582 5.369 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.926 4.539 0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.202 5.357 1.687 1.00 0.00 H new ATOM 1013 N VAL A 69 -6.767 1.662 4.195 1.00 0.00 N ATOM 1014 CA VAL A 69 -6.407 0.588 5.116 1.00 0.00 C ATOM 1015 C VAL A 69 -7.515 -0.462 5.188 1.00 0.00 C ATOM 1016 O VAL A 69 -7.246 -1.662 5.111 1.00 0.00 O ATOM 1017 CB VAL A 69 -6.121 1.119 6.538 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -5.549 0.017 7.417 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -5.177 2.314 6.493 1.00 0.00 C ATOM 0 H VAL A 69 -6.785 2.591 4.617 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.496 0.134 4.726 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.065 1.450 6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.354 0.411 8.414 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.264 -0.803 7.484 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.618 -0.348 6.983 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.991 2.669 7.507 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.234 2.016 6.035 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.629 3.113 5.906 1.00 0.00 H new ATOM 1029 N LYS A 70 -8.760 -0.001 5.327 1.00 0.00 N ATOM 1030 CA LYS A 70 -9.909 -0.902 5.400 1.00 0.00 C ATOM 1031 C LYS A 70 -9.977 -1.794 4.161 1.00 0.00 C ATOM 1032 O LYS A 70 -10.220 -2.995 4.270 1.00 0.00 O ATOM 1033 CB LYS A 70 -11.211 -0.106 5.541 1.00 0.00 C ATOM 1034 CG LYS A 70 -12.248 -0.780 6.428 1.00 0.00 C ATOM 1035 CD LYS A 70 -13.644 -0.232 6.169 1.00 0.00 C ATOM 1036 CE LYS A 70 -14.699 -0.986 6.967 1.00 0.00 C ATOM 1037 NZ LYS A 70 -15.956 -1.179 6.189 1.00 0.00 N ATOM 0 H LYS A 70 -8.997 0.989 5.391 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.785 -1.534 6.280 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.982 0.879 5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.639 0.051 4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.239 -1.855 6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.985 -0.630 7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.675 0.825 6.432 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.872 -0.303 5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.304 -1.957 7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.920 -0.439 7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.647 -1.696 6.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.348 -0.252 5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.751 -1.724 5.327 1.00 0.00 H new ATOM 1051 N LEU A 71 -9.758 -1.197 2.987 1.00 0.00 N ATOM 1052 CA LEU A 71 -9.793 -1.940 1.728 1.00 0.00 C ATOM 1053 C LEU A 71 -8.681 -2.987 1.677 1.00 0.00 C ATOM 1054 O LEU A 71 -8.927 -4.145 1.339 1.00 0.00 O ATOM 1055 CB LEU A 71 -9.665 -0.980 0.537 1.00 0.00 C ATOM 1056 CG LEU A 71 -10.211 -1.511 -0.793 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -10.444 -0.366 -1.771 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -9.260 -2.540 -1.388 1.00 0.00 C ATOM 0 H LEU A 71 -9.555 -0.203 2.883 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.752 -2.455 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.185 -0.054 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.612 -0.729 0.405 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.167 -1.998 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.832 -0.762 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.165 0.333 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.503 0.151 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.664 -2.906 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.288 -2.079 -1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.146 -3.373 -0.695 1.00 0.00 H new ATOM 1070 N ILE A 72 -7.460 -2.577 2.018 1.00 0.00 N ATOM 1071 CA ILE A 72 -6.317 -3.491 2.010 1.00 0.00 C ATOM 1072 C ILE A 72 -6.501 -4.602 3.046 1.00 0.00 C ATOM 1073 O ILE A 72 -6.238 -5.770 2.764 1.00 0.00 O ATOM 1074 CB ILE A 72 -4.986 -2.752 2.283 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -4.794 -1.595 1.296 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -3.812 -3.720 2.193 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -3.794 -0.558 1.763 1.00 0.00 C ATOM 0 H ILE A 72 -7.237 -1.623 2.302 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.270 -3.928 1.013 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.026 -2.341 3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.467 -1.997 0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.755 -1.110 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.883 -3.184 2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.936 -4.512 2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.777 -4.157 1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.710 0.230 1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.130 -0.128 2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.821 -1.029 1.905 1.00 0.00 H new ATOM 1089 N LYS A 73 -6.960 -4.228 4.242 1.00 0.00 N ATOM 1090 CA LYS A 73 -7.184 -5.198 5.314 1.00 0.00 C ATOM 1091 C LYS A 73 -8.345 -6.140 4.985 1.00 0.00 C ATOM 1092 O LYS A 73 -8.349 -7.295 5.415 1.00 0.00 O ATOM 1093 CB LYS A 73 -7.450 -4.478 6.641 1.00 0.00 C ATOM 1094 CG LYS A 73 -6.186 -4.163 7.426 1.00 0.00 C ATOM 1095 CD LYS A 73 -6.454 -3.175 8.550 1.00 0.00 C ATOM 1096 CE LYS A 73 -5.156 -2.644 9.142 1.00 0.00 C ATOM 1097 NZ LYS A 73 -4.759 -3.379 10.377 1.00 0.00 N ATOM 0 H LYS A 73 -7.183 -3.264 4.491 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.280 -5.799 5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.984 -3.549 6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.105 -5.096 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.776 -5.084 7.841 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.432 -3.753 6.753 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.050 -2.344 8.172 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.041 -3.659 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.361 -2.725 8.401 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.270 -1.585 9.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.870 -2.984 10.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.505 -3.281 11.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.624 -4.386 10.154 1.00 0.00 H new ATOM 1111 N SER A 74 -9.327 -5.646 4.224 1.00 0.00 N ATOM 1112 CA SER A 74 -10.484 -6.455 3.848 1.00 0.00 C ATOM 1113 C SER A 74 -10.155 -7.367 2.665 1.00 0.00 C ATOM 1114 O SER A 74 -10.689 -7.198 1.566 1.00 0.00 O ATOM 1115 CB SER A 74 -11.681 -5.558 3.511 1.00 0.00 C ATOM 1116 OG SER A 74 -11.372 -4.647 2.466 1.00 0.00 O ATOM 0 H SER A 74 -9.341 -4.694 3.859 1.00 0.00 H new ATOM 0 HA SER A 74 -10.746 -7.083 4.700 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.529 -6.177 3.217 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.984 -5.004 4.400 1.00 0.00 H new ATOM 0 HG SER A 74 -10.446 -4.784 2.176 1.00 0.00 H new ATOM 1122 N GLY A 75 -9.269 -8.334 2.898 1.00 0.00 N ATOM 1123 CA GLY A 75 -8.880 -9.260 1.848 1.00 0.00 C ATOM 1124 C GLY A 75 -7.555 -9.939 2.134 1.00 0.00 C ATOM 1125 O GLY A 75 -6.684 -9.361 2.787 1.00 0.00 O ATOM 0 H GLY A 75 -8.814 -8.492 3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.655 -10.018 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.813 -8.724 0.902 1.00 0.00 H new ATOM 1129 N SER A 76 -7.401 -11.169 1.646 1.00 0.00 N ATOM 1130 CA SER A 76 -6.170 -11.927 1.856 1.00 0.00 C ATOM 1131 C SER A 76 -4.992 -11.256 1.155 1.00 0.00 C ATOM 1132 O SER A 76 -3.996 -10.918 1.790 1.00 0.00 O ATOM 1133 CB SER A 76 -6.334 -13.364 1.353 1.00 0.00 C ATOM 1134 OG SER A 76 -5.167 -14.130 1.601 1.00 0.00 O ATOM 0 H SER A 76 -8.112 -11.660 1.104 1.00 0.00 H new ATOM 0 HA SER A 76 -5.966 -11.950 2.926 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.189 -13.829 1.844 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.547 -13.356 0.284 1.00 0.00 H new ATOM 0 HG SER A 76 -5.299 -15.043 1.271 1.00 0.00 H new ATOM 1140 N TYR A 77 -5.116 -11.057 -0.156 1.00 0.00 N ATOM 1141 CA TYR A 77 -4.059 -10.417 -0.935 1.00 0.00 C ATOM 1142 C TYR A 77 -4.578 -9.148 -1.607 1.00 0.00 C ATOM 1143 O TYR A 77 -5.788 -8.921 -1.680 1.00 0.00 O ATOM 1144 CB TYR A 77 -3.489 -11.377 -1.986 1.00 0.00 C ATOM 1145 CG TYR A 77 -4.531 -12.233 -2.669 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -5.011 -13.387 -2.065 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -5.035 -11.884 -3.915 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -5.965 -14.170 -2.683 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.988 -12.662 -4.540 1.00 0.00 C ATOM 1150 CZ TYR A 77 -6.451 -13.805 -3.920 1.00 0.00 C ATOM 1151 OH TYR A 77 -7.405 -14.581 -4.537 1.00 0.00 O ATOM 0 H TYR A 77 -5.935 -11.329 -0.699 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.257 -10.147 -0.248 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.958 -10.798 -2.741 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.756 -12.027 -1.509 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.632 -13.677 -1.096 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.676 -10.990 -4.402 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.329 -15.065 -2.199 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.370 -12.378 -5.510 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.641 -14.184 -5.401 1.00 0.00 H new ATOM 1161 N VAL A 78 -3.654 -8.319 -2.084 1.00 0.00 N ATOM 1162 CA VAL A 78 -4.013 -7.065 -2.736 1.00 0.00 C ATOM 1163 C VAL A 78 -3.006 -6.686 -3.823 1.00 0.00 C ATOM 1164 O VAL A 78 -1.792 -6.733 -3.604 1.00 0.00 O ATOM 1165 CB VAL A 78 -4.109 -5.916 -1.704 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -2.785 -5.731 -0.976 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -4.545 -4.617 -2.368 1.00 0.00 C ATOM 0 H VAL A 78 -2.650 -8.494 -2.031 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.987 -7.216 -3.202 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.867 -6.189 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.876 -4.918 -0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.525 -6.652 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.004 -5.491 -1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.604 -3.827 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.820 -4.338 -3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.524 -4.754 -2.828 1.00 0.00 H new ATOM 1177 N ALA A 79 -3.520 -6.293 -4.990 1.00 0.00 N ATOM 1178 CA ALA A 79 -2.669 -5.883 -6.103 1.00 0.00 C ATOM 1179 C ALA A 79 -2.666 -4.363 -6.222 1.00 0.00 C ATOM 1180 O ALA A 79 -3.678 -3.761 -6.578 1.00 0.00 O ATOM 1181 CB ALA A 79 -3.141 -6.519 -7.400 1.00 0.00 C ATOM 0 H ALA A 79 -4.520 -6.251 -5.186 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.651 -6.223 -5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.494 -6.201 -8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.103 -7.604 -7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.165 -6.208 -7.606 1.00 0.00 H new ATOM 1187 N LEU A 80 -1.531 -3.748 -5.909 1.00 0.00 N ATOM 1188 CA LEU A 80 -1.408 -2.294 -5.955 1.00 0.00 C ATOM 1189 C LEU A 80 -0.550 -1.832 -7.130 1.00 0.00 C ATOM 1190 O LEU A 80 0.555 -2.336 -7.342 1.00 0.00 O ATOM 1191 CB LEU A 80 -0.809 -1.774 -4.643 1.00 0.00 C ATOM 1192 CG LEU A 80 -1.167 -2.583 -3.390 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -0.059 -3.570 -3.052 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -1.431 -1.658 -2.212 1.00 0.00 C ATOM 0 H LEU A 80 -0.682 -4.233 -5.620 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.409 -1.886 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.276 -1.752 -4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.137 -0.745 -4.496 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.077 -3.146 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.333 -4.133 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.083 -4.257 -3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.868 -3.027 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.683 -2.251 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.539 -1.067 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.261 -0.992 -2.451 1.00 0.00 H new ATOM 1206 N THR A 81 -1.059 -0.850 -7.873 1.00 0.00 N ATOM 1207 CA THR A 81 -0.337 -0.289 -9.011 1.00 0.00 C ATOM 1208 C THR A 81 0.612 0.805 -8.531 1.00 0.00 C ATOM 1209 O THR A 81 0.171 1.840 -8.016 1.00 0.00 O ATOM 1210 CB THR A 81 -1.313 0.276 -10.048 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.316 -0.675 -10.372 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.638 0.695 -11.339 1.00 0.00 C ATOM 0 H THR A 81 -1.972 -0.426 -7.705 1.00 0.00 H new ATOM 0 HA THR A 81 0.240 -1.084 -9.484 1.00 0.00 H new ATOM 0 HB THR A 81 -1.749 1.159 -9.581 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.928 -0.292 -11.034 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.385 1.086 -12.030 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.102 1.468 -11.129 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.144 -0.167 -11.788 1.00 0.00 H new ATOM 1220 N VAL A 82 1.915 0.562 -8.683 1.00 0.00 N ATOM 1221 CA VAL A 82 2.931 1.516 -8.246 1.00 0.00 C ATOM 1222 C VAL A 82 3.816 1.988 -9.399 1.00 0.00 C ATOM 1223 O VAL A 82 3.723 1.487 -10.520 1.00 0.00 O ATOM 1224 CB VAL A 82 3.827 0.908 -7.140 1.00 0.00 C ATOM 1225 CG1 VAL A 82 2.979 0.287 -6.040 1.00 0.00 C ATOM 1226 CG2 VAL A 82 4.786 -0.124 -7.719 1.00 0.00 C ATOM 0 H VAL A 82 2.290 -0.287 -9.105 1.00 0.00 H new ATOM 0 HA VAL A 82 2.391 2.376 -7.850 1.00 0.00 H new ATOM 0 HB VAL A 82 4.417 1.715 -6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.629 -0.134 -5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.342 1.052 -5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.357 -0.502 -6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.404 -0.535 -6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.217 -0.927 -8.188 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.425 0.351 -8.464 1.00 0.00 H new ATOM 1236 N GLN A 83 4.681 2.956 -9.098 1.00 0.00 N ATOM 1237 CA GLN A 83 5.602 3.514 -10.080 1.00 0.00 C ATOM 1238 C GLN A 83 6.952 3.819 -9.431 1.00 0.00 C ATOM 1239 O GLN A 83 7.025 4.113 -8.234 1.00 0.00 O ATOM 1240 CB GLN A 83 5.017 4.790 -10.697 1.00 0.00 C ATOM 1241 CG GLN A 83 4.475 4.596 -12.105 1.00 0.00 C ATOM 1242 CD GLN A 83 4.265 5.907 -12.839 1.00 0.00 C ATOM 1243 OE1 GLN A 83 3.642 6.832 -12.315 1.00 0.00 O ATOM 1244 NE2 GLN A 83 4.784 5.996 -14.058 1.00 0.00 N ATOM 0 H GLN A 83 4.761 3.372 -8.170 1.00 0.00 H new ATOM 0 HA GLN A 83 5.750 2.778 -10.870 1.00 0.00 H new ATOM 0 HB2 GLN A 83 4.216 5.158 -10.056 1.00 0.00 H new ATOM 0 HB3 GLN A 83 5.788 5.560 -10.717 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.166 3.973 -12.673 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.529 4.057 -12.054 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.293 5.206 -14.455 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.674 6.854 -14.598 1.00 0.00 H new ATOM 1253 N GLY A 84 8.017 3.751 -10.229 1.00 0.00 N ATOM 1254 CA GLY A 84 9.350 4.026 -9.723 1.00 0.00 C ATOM 1255 C GLY A 84 10.114 4.993 -10.609 1.00 0.00 C ATOM 1256 O GLY A 84 9.518 5.871 -11.235 1.00 0.00 O ATOM 0 H GLY A 84 7.978 3.510 -11.219 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.276 4.439 -8.717 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.906 3.092 -9.644 1.00 0.00 H new ATOM 1260 N ARG A 85 11.434 4.833 -10.665 1.00 0.00 N ATOM 1261 CA ARG A 85 12.279 5.699 -11.483 1.00 0.00 C ATOM 1262 C ARG A 85 13.388 4.892 -12.154 1.00 0.00 C ATOM 1263 O ARG A 85 14.167 4.220 -11.475 1.00 0.00 O ATOM 1264 CB ARG A 85 12.889 6.817 -10.630 1.00 0.00 C ATOM 1265 CG ARG A 85 11.854 7.696 -9.944 1.00 0.00 C ATOM 1266 CD ARG A 85 12.428 9.059 -9.581 1.00 0.00 C ATOM 1267 NE ARG A 85 11.404 9.961 -9.050 1.00 0.00 N ATOM 1268 CZ ARG A 85 11.559 11.283 -8.929 1.00 0.00 C ATOM 1269 NH1 ARG A 85 12.699 11.866 -9.291 1.00 0.00 N ATOM 1270 NH2 ARG A 85 10.569 12.025 -8.446 1.00 0.00 N ATOM 0 H ARG A 85 11.942 4.111 -10.153 1.00 0.00 H new ATOM 0 HA ARG A 85 11.655 6.147 -12.257 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.535 6.373 -9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.521 7.441 -11.262 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.994 7.826 -10.601 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.495 7.200 -9.042 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.220 8.934 -8.842 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.884 9.507 -10.464 1.00 0.00 H new ATOM 0 HE ARG A 85 10.516 9.555 -8.754 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.463 11.303 -9.664 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.808 12.876 -9.195 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.691 11.586 -8.168 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.686 13.034 -8.353 1.00 0.00 H new ATOM 1284 N PRO A 86 13.476 4.950 -13.499 1.00 0.00 N ATOM 1285 CA PRO A 86 14.501 4.222 -14.262 1.00 0.00 C ATOM 1286 C PRO A 86 15.920 4.573 -13.809 1.00 0.00 C ATOM 1287 O PRO A 86 16.123 5.551 -13.086 1.00 0.00 O ATOM 1288 CB PRO A 86 14.276 4.688 -15.706 1.00 0.00 C ATOM 1289 CG PRO A 86 12.866 5.163 -15.744 1.00 0.00 C ATOM 1290 CD PRO A 86 12.584 5.729 -14.382 1.00 0.00 C ATOM 0 HA PRO A 86 14.413 3.144 -14.129 1.00 0.00 H new ATOM 0 HB2 PRO A 86 14.968 5.486 -15.975 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.437 3.874 -16.413 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.730 5.919 -16.517 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.184 4.344 -15.975 1.00 0.00 H new ATOM 0 HD2 PRO A 86 12.804 6.796 -14.336 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.537 5.607 -14.105 1.00 0.00 H new ATOM 1298 N PRO A 87 16.926 3.784 -14.237 1.00 0.00 N ATOM 1299 CA PRO A 87 18.325 4.029 -13.872 1.00 0.00 C ATOM 1300 C PRO A 87 18.838 5.344 -14.450 1.00 0.00 C ATOM 1301 O PRO A 87 18.708 5.596 -15.649 1.00 0.00 O ATOM 1302 CB PRO A 87 19.076 2.840 -14.478 1.00 0.00 C ATOM 1303 CG PRO A 87 18.191 2.342 -15.568 1.00 0.00 C ATOM 1304 CD PRO A 87 16.784 2.604 -15.110 1.00 0.00 C ATOM 0 HA PRO A 87 18.459 4.115 -12.794 1.00 0.00 H new ATOM 0 HB2 PRO A 87 20.048 3.143 -14.866 1.00 0.00 H new ATOM 0 HB3 PRO A 87 19.258 2.066 -13.732 1.00 0.00 H new ATOM 0 HG2 PRO A 87 18.399 2.858 -16.506 1.00 0.00 H new ATOM 0 HG3 PRO A 87 18.352 1.279 -15.746 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.118 2.803 -15.950 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.371 1.752 -14.570 1.00 0.00 H new ATOM 1312 N GLY A 88 19.407 6.182 -13.587 1.00 0.00 N ATOM 1313 CA GLY A 88 19.919 7.470 -14.022 1.00 0.00 C ATOM 1314 C GLY A 88 21.092 7.351 -14.978 1.00 0.00 C ATOM 1315 O GLY A 88 20.904 7.174 -16.183 1.00 0.00 O ATOM 0 H GLY A 88 19.523 5.991 -12.592 1.00 0.00 H new ATOM 0 HA2 GLY A 88 19.118 8.028 -14.507 1.00 0.00 H new ATOM 0 HA3 GLY A 88 20.226 8.046 -13.149 1.00 0.00 H new ATOM 1319 N SER A 89 22.304 7.460 -14.437 1.00 0.00 N ATOM 1320 CA SER A 89 23.516 7.374 -15.246 1.00 0.00 C ATOM 1321 C SER A 89 24.666 6.776 -14.441 1.00 0.00 C ATOM 1322 O SER A 89 25.146 5.687 -14.817 1.00 0.00 O ATOM 1323 CB SER A 89 23.902 8.762 -15.771 1.00 0.00 C ATOM 1324 OG SER A 89 22.795 9.411 -16.374 1.00 0.00 O ATOM 1325 OXT SER A 89 25.076 7.398 -13.436 1.00 0.00 O ATOM 0 H SER A 89 22.472 7.608 -13.442 1.00 0.00 H new ATOM 0 HA SER A 89 23.315 6.718 -16.093 1.00 0.00 H new ATOM 0 HB2 SER A 89 24.281 9.371 -14.950 1.00 0.00 H new ATOM 0 HB3 SER A 89 24.710 8.667 -16.496 1.00 0.00 H new ATOM 0 HG SER A 89 23.070 10.294 -16.698 1.00 0.00 H new TER 1331 SER A 89 ATOM 1332 N VAL B 90 -3.772 20.666 11.025 1.00 0.00 N ATOM 1333 CA VAL B 90 -2.746 19.584 11.009 1.00 0.00 C ATOM 1334 C VAL B 90 -3.375 18.236 10.649 1.00 0.00 C ATOM 1335 O VAL B 90 -4.113 17.653 11.445 1.00 0.00 O ATOM 1336 CB VAL B 90 -2.028 19.462 12.373 1.00 0.00 C ATOM 1337 CG1 VAL B 90 -1.133 20.669 12.620 1.00 0.00 C ATOM 1338 CG2 VAL B 90 -3.036 19.296 13.507 1.00 0.00 C ATOM 0 HA VAL B 90 -2.013 19.854 10.249 1.00 0.00 H new ATOM 0 HB VAL B 90 -1.401 18.571 12.346 1.00 0.00 H new ATOM 0 HG11 VAL B 90 -0.637 20.563 13.585 1.00 0.00 H new ATOM 0 HG12 VAL B 90 -0.383 20.733 11.832 1.00 0.00 H new ATOM 0 HG13 VAL B 90 -1.737 21.576 12.620 1.00 0.00 H new ATOM 0 HG21 VAL B 90 -2.506 19.212 14.456 1.00 0.00 H new ATOM 0 HG22 VAL B 90 -3.697 20.162 13.536 1.00 0.00 H new ATOM 0 HG23 VAL B 90 -3.626 18.395 13.340 1.00 0.00 H new ATOM 1350 N GLU B 91 -3.085 17.750 9.442 1.00 0.00 N ATOM 1351 CA GLU B 91 -3.629 16.475 8.976 1.00 0.00 C ATOM 1352 C GLU B 91 -2.676 15.798 7.989 1.00 0.00 C ATOM 1353 O GLU B 91 -2.311 16.382 6.967 1.00 0.00 O ATOM 1354 CB GLU B 91 -4.996 16.690 8.316 1.00 0.00 C ATOM 1355 CG GLU B 91 -4.994 17.771 7.240 1.00 0.00 C ATOM 1356 CD GLU B 91 -5.697 19.045 7.671 1.00 0.00 C ATOM 1357 OE1 GLU B 91 -5.345 19.593 8.737 1.00 0.00 O ATOM 1358 OE2 GLU B 91 -6.596 19.502 6.935 1.00 0.00 O ATOM 0 H GLU B 91 -2.477 18.219 8.770 1.00 0.00 H new ATOM 0 HA GLU B 91 -3.747 15.824 9.842 1.00 0.00 H new ATOM 0 HB2 GLU B 91 -5.328 15.751 7.874 1.00 0.00 H new ATOM 0 HB3 GLU B 91 -5.723 16.955 9.084 1.00 0.00 H new ATOM 0 HG2 GLU B 91 -3.964 18.005 6.971 1.00 0.00 H new ATOM 0 HG3 GLU B 91 -5.477 17.383 6.343 1.00 0.00 H new ATOM 1365 N ASN B 92 -2.279 14.563 8.302 1.00 0.00 N ATOM 1366 CA ASN B 92 -1.369 13.807 7.441 1.00 0.00 C ATOM 1367 C ASN B 92 -1.974 12.462 7.046 1.00 0.00 C ATOM 1368 O ASN B 92 -2.710 11.849 7.821 1.00 0.00 O ATOM 1369 CB ASN B 92 -0.021 13.590 8.139 1.00 0.00 C ATOM 1370 CG ASN B 92 -0.162 12.935 9.502 1.00 0.00 C ATOM 1371 OD1 ASN B 92 -0.408 11.735 9.605 1.00 0.00 O ATOM 1372 ND2 ASN B 92 -0.002 13.725 10.560 1.00 0.00 N ATOM 0 H ASN B 92 -2.573 14.067 9.143 1.00 0.00 H new ATOM 0 HA ASN B 92 -1.208 14.391 6.535 1.00 0.00 H new ATOM 0 HB2 ASN B 92 0.614 12.970 7.507 1.00 0.00 H new ATOM 0 HB3 ASN B 92 0.483 14.550 8.253 1.00 0.00 H new ATOM 0 HD21 ASN B 92 -0.083 13.340 11.501 1.00 0.00 H new ATOM 0 HD22 ASN B 92 0.201 14.716 10.430 1.00 0.00 H new ATOM 1379 N LYS B 93 -1.654 12.008 5.836 1.00 0.00 N ATOM 1380 CA LYS B 93 -2.159 10.734 5.337 1.00 0.00 C ATOM 1381 C LYS B 93 -1.023 9.722 5.203 1.00 0.00 C ATOM 1382 O LYS B 93 -0.464 9.536 4.120 1.00 0.00 O ATOM 1383 CB LYS B 93 -2.862 10.932 3.987 1.00 0.00 C ATOM 1384 CG LYS B 93 -4.268 11.502 4.110 1.00 0.00 C ATOM 1385 CD LYS B 93 -5.068 11.307 2.829 1.00 0.00 C ATOM 1386 CE LYS B 93 -6.523 10.969 3.125 1.00 0.00 C ATOM 1387 NZ LYS B 93 -7.363 12.190 3.288 1.00 0.00 N ATOM 0 H LYS B 93 -1.047 12.505 5.184 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.883 10.345 6.053 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -2.261 11.599 3.368 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -2.911 9.974 3.469 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -4.785 11.019 4.939 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.211 12.565 4.345 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -5.020 12.214 2.227 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -4.621 10.508 2.238 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -6.924 10.359 2.316 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.577 10.369 4.033 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -8.345 11.912 3.488 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -6.997 12.760 4.077 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -7.334 12.751 2.413 1.00 0.00 H new ATOM 1401 N VAL B 94 -0.683 9.071 6.317 1.00 0.00 N ATOM 1402 CA VAL B 94 0.389 8.078 6.336 1.00 0.00 C ATOM 1403 C VAL B 94 -0.129 6.727 6.839 1.00 0.00 C ATOM 1404 O VAL B 94 -0.896 6.668 7.801 1.00 0.00 O ATOM 1405 CB VAL B 94 1.570 8.555 7.216 1.00 0.00 C ATOM 1406 CG1 VAL B 94 1.137 8.729 8.665 1.00 0.00 C ATOM 1407 CG2 VAL B 94 2.753 7.601 7.115 1.00 0.00 C ATOM 0 H VAL B 94 -1.137 9.215 7.219 1.00 0.00 H new ATOM 0 HA VAL B 94 0.746 7.956 5.314 1.00 0.00 H new ATOM 0 HB VAL B 94 1.891 9.527 6.840 1.00 0.00 H new ATOM 0 HG11 VAL B 94 1.986 9.065 9.261 1.00 0.00 H new ATOM 0 HG12 VAL B 94 0.340 9.470 8.720 1.00 0.00 H new ATOM 0 HG13 VAL B 94 0.775 7.777 9.053 1.00 0.00 H new ATOM 0 HG21 VAL B 94 3.567 7.963 7.744 1.00 0.00 H new ATOM 0 HG22 VAL B 94 2.450 6.609 7.449 1.00 0.00 H new ATOM 0 HG23 VAL B 94 3.090 7.548 6.080 1.00 0.00 H new ATOM 1417 N THR B 95 0.287 5.645 6.175 1.00 0.00 N ATOM 1418 CA THR B 95 -0.146 4.295 6.549 1.00 0.00 C ATOM 1419 C THR B 95 1.025 3.313 6.530 1.00 0.00 C ATOM 1420 O THR B 95 1.636 3.082 5.486 1.00 0.00 O ATOM 1421 CB THR B 95 -1.247 3.808 5.599 1.00 0.00 C ATOM 1422 OG1 THR B 95 -2.311 4.743 5.536 1.00 0.00 O ATOM 1423 CG2 THR B 95 -1.837 2.469 5.994 1.00 0.00 C ATOM 0 H THR B 95 0.922 5.677 5.377 1.00 0.00 H new ATOM 0 HA THR B 95 -0.539 4.340 7.565 1.00 0.00 H new ATOM 0 HB THR B 95 -0.758 3.700 4.631 1.00 0.00 H new ATOM 0 HG1 THR B 95 -2.550 5.029 6.443 1.00 0.00 H new ATOM 0 HG21 THR B 95 -2.609 2.186 5.278 1.00 0.00 H new ATOM 0 HG22 THR B 95 -1.052 1.713 5.999 1.00 0.00 H new ATOM 0 HG23 THR B 95 -2.275 2.544 6.989 1.00 0.00 H new ATOM 1431 N ASP B 96 1.320 2.729 7.689 1.00 0.00 N ATOM 1432 CA ASP B 96 2.408 1.760 7.808 1.00 0.00 C ATOM 1433 C ASP B 96 1.895 0.452 8.405 1.00 0.00 C ATOM 1434 O ASP B 96 1.348 0.434 9.509 1.00 0.00 O ATOM 1435 CB ASP B 96 3.550 2.329 8.660 1.00 0.00 C ATOM 1436 CG ASP B 96 3.096 2.756 10.045 1.00 0.00 C ATOM 1437 OD1 ASP B 96 2.414 3.796 10.153 1.00 0.00 O ATOM 1438 OD2 ASP B 96 3.426 2.049 11.019 1.00 0.00 O ATOM 0 H ASP B 96 0.821 2.910 8.560 1.00 0.00 H new ATOM 0 HA ASP B 96 2.796 1.556 6.810 1.00 0.00 H new ATOM 0 HB2 ASP B 96 4.335 1.578 8.755 1.00 0.00 H new ATOM 0 HB3 ASP B 96 3.988 3.185 8.147 1.00 0.00 H new ATOM 1443 N LEU B 97 2.069 -0.635 7.659 1.00 0.00 N ATOM 1444 CA LEU B 97 1.619 -1.956 8.094 1.00 0.00 C ATOM 1445 C LEU B 97 2.800 -2.877 8.407 1.00 0.00 C ATOM 1446 O LEU B 97 2.567 -4.092 8.594 1.00 0.00 O ATOM 1447 CB LEU B 97 0.740 -2.582 7.010 1.00 0.00 C ATOM 1448 CG LEU B 97 -0.738 -2.189 7.066 1.00 0.00 C ATOM 1449 CD1 LEU B 97 -1.151 -1.465 5.793 1.00 0.00 C ATOM 1450 CD2 LEU B 97 -1.603 -3.421 7.294 1.00 0.00 C ATOM 1451 OXT LEU B 97 3.947 -2.384 8.460 1.00 0.00 O ATOM 0 H LEU B 97 2.521 -0.628 6.745 1.00 0.00 H new ATOM 0 HA LEU B 97 1.042 -1.833 9.010 1.00 0.00 H new ATOM 0 HB2 LEU B 97 1.138 -2.302 6.035 1.00 0.00 H new ATOM 0 HB3 LEU B 97 0.815 -3.667 7.085 1.00 0.00 H new ATOM 0 HG LEU B 97 -0.884 -1.506 7.903 1.00 0.00 H new ATOM 0 HD11 LEU B 97 -2.205 -1.195 5.854 1.00 0.00 H new ATOM 0 HD12 LEU B 97 -0.551 -0.562 5.677 1.00 0.00 H new ATOM 0 HD13 LEU B 97 -0.993 -2.119 4.935 1.00 0.00 H new ATOM 0 HD21 LEU B 97 -2.652 -3.127 7.332 1.00 0.00 H new ATOM 0 HD22 LEU B 97 -1.453 -4.127 6.477 1.00 0.00 H new ATOM 0 HD23 LEU B 97 -1.324 -3.892 8.237 1.00 0.00 H new TER 1463 LEU B 97