USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 623 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 12 THR OG1 : rot 24:sc= 0.182 USER MOD Set 1.2: A 38 GLN : amide:sc= -0.0244 X(o=0.16,f=0.058) USER MOD Single : A 1 ASP N :NH3+ 168:sc= -0.0549 (180deg=-0.35) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 170:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0385 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 116:sc= -0.649 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 77:sc=-0.00526 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 66:sc= 0.0727 USER MOD Single : A 76 SER OG : rot -13:sc= 0.661 USER MOD Single : A 78 ASN : amide:sc= -0.0212 X(o=-0.021,f=-0.4) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 41.408 4.180 -20.379 1.00 0.00 N ATOM 2 CA ASP A 1 42.507 4.481 -19.425 1.00 0.00 C ATOM 3 C ASP A 1 42.920 3.236 -18.648 1.00 0.00 C ATOM 4 O ASP A 1 42.420 2.140 -18.902 1.00 0.00 O ATOM 5 CB ASP A 1 42.033 5.572 -18.463 1.00 0.00 C ATOM 6 CG ASP A 1 40.522 5.638 -18.358 1.00 0.00 C ATOM 7 OD1 ASP A 1 39.949 4.873 -17.553 1.00 0.00 O ATOM 8 OD2 ASP A 1 39.911 6.454 -19.080 1.00 0.00 O ATOM 0 H1 ASP A 1 41.011 5.070 -20.743 1.00 0.00 H new ATOM 0 H2 ASP A 1 41.780 3.617 -21.171 1.00 0.00 H new ATOM 0 H3 ASP A 1 40.663 3.642 -19.892 1.00 0.00 H new ATOM 0 HA ASP A 1 43.379 4.824 -19.981 1.00 0.00 H new ATOM 0 HB2 ASP A 1 42.455 5.389 -17.475 1.00 0.00 H new ATOM 0 HB3 ASP A 1 42.413 6.537 -18.798 1.00 0.00 H new ATOM 15 N TYR A 2 43.834 3.412 -17.700 1.00 0.00 N ATOM 16 CA TYR A 2 44.315 2.302 -16.884 1.00 0.00 C ATOM 17 C TYR A 2 43.463 2.140 -15.629 1.00 0.00 C ATOM 18 O TYR A 2 42.384 2.723 -15.521 1.00 0.00 O ATOM 19 CB TYR A 2 45.781 2.521 -16.497 1.00 0.00 C ATOM 20 CG TYR A 2 46.100 3.943 -16.096 1.00 0.00 C ATOM 21 CD1 TYR A 2 45.848 4.396 -14.807 1.00 0.00 C ATOM 22 CD2 TYR A 2 46.654 4.834 -17.008 1.00 0.00 C ATOM 23 CE1 TYR A 2 46.138 5.696 -14.438 1.00 0.00 C ATOM 24 CE2 TYR A 2 46.947 6.135 -16.646 1.00 0.00 C ATOM 25 CZ TYR A 2 46.688 6.560 -15.361 1.00 0.00 C ATOM 26 OH TYR A 2 46.980 7.855 -14.997 1.00 0.00 O ATOM 0 H TYR A 2 44.257 4.313 -17.477 1.00 0.00 H new ATOM 0 HA TYR A 2 44.236 1.389 -17.475 1.00 0.00 H new ATOM 0 HB2 TYR A 2 46.032 1.855 -15.671 1.00 0.00 H new ATOM 0 HB3 TYR A 2 46.415 2.239 -17.338 1.00 0.00 H new ATOM 0 HD1 TYR A 2 45.418 3.721 -14.081 1.00 0.00 H new ATOM 0 HD2 TYR A 2 46.859 4.504 -18.016 1.00 0.00 H new ATOM 0 HE1 TYR A 2 45.935 6.033 -13.432 1.00 0.00 H new ATOM 0 HE2 TYR A 2 47.377 6.815 -17.366 1.00 0.00 H new ATOM 0 HH TYR A 2 47.363 8.332 -15.763 1.00 0.00 H new ATOM 36 N LYS A 3 43.957 1.343 -14.683 1.00 0.00 N ATOM 37 CA LYS A 3 43.245 1.098 -13.432 1.00 0.00 C ATOM 38 C LYS A 3 41.868 0.495 -13.695 1.00 0.00 C ATOM 39 O LYS A 3 41.549 0.116 -14.823 1.00 0.00 O ATOM 40 CB LYS A 3 43.103 2.398 -12.636 1.00 0.00 C ATOM 41 CG LYS A 3 44.189 2.590 -11.590 1.00 0.00 C ATOM 42 CD LYS A 3 43.596 2.784 -10.203 1.00 0.00 C ATOM 43 CE LYS A 3 44.529 3.581 -9.305 1.00 0.00 C ATOM 44 NZ LYS A 3 44.700 2.940 -7.972 1.00 0.00 N ATOM 0 H LYS A 3 44.850 0.855 -14.760 1.00 0.00 H new ATOM 0 HA LYS A 3 43.827 0.385 -12.848 1.00 0.00 H new ATOM 0 HB2 LYS A 3 43.121 3.241 -13.326 1.00 0.00 H new ATOM 0 HB3 LYS A 3 42.130 2.409 -12.145 1.00 0.00 H new ATOM 0 HG2 LYS A 3 44.850 1.723 -11.587 1.00 0.00 H new ATOM 0 HG3 LYS A 3 44.799 3.455 -11.851 1.00 0.00 H new ATOM 0 HD2 LYS A 3 42.639 3.299 -10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 3 43.397 1.812 -9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 3 45.501 3.679 -9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 3 44.134 4.589 -9.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 45.343 3.514 -7.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 43.776 2.869 -7.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 45.101 1.988 -8.093 1.00 0.00 H new ATOM 58 N ASP A 4 41.055 0.409 -12.647 1.00 0.00 N ATOM 59 CA ASP A 4 39.713 -0.149 -12.762 1.00 0.00 C ATOM 60 C ASP A 4 38.734 0.895 -13.289 1.00 0.00 C ATOM 61 O ASP A 4 38.398 0.902 -14.474 1.00 0.00 O ATOM 62 CB ASP A 4 39.236 -0.674 -11.406 1.00 0.00 C ATOM 63 CG ASP A 4 38.480 -1.982 -11.526 1.00 0.00 C ATOM 64 OD1 ASP A 4 37.318 -1.957 -11.980 1.00 0.00 O ATOM 65 OD2 ASP A 4 39.051 -3.033 -11.165 1.00 0.00 O ATOM 0 H ASP A 4 41.303 0.719 -11.707 1.00 0.00 H new ATOM 0 HA ASP A 4 39.751 -0.977 -13.470 1.00 0.00 H new ATOM 0 HB2 ASP A 4 40.096 -0.813 -10.751 1.00 0.00 H new ATOM 0 HB3 ASP A 4 38.594 0.071 -10.936 1.00 0.00 H new ATOM 70 N ASP A 5 38.282 1.772 -12.402 1.00 0.00 N ATOM 71 CA ASP A 5 37.341 2.823 -12.775 1.00 0.00 C ATOM 72 C ASP A 5 37.647 4.117 -12.028 1.00 0.00 C ATOM 73 O ASP A 5 37.435 5.212 -12.549 1.00 0.00 O ATOM 74 CB ASP A 5 35.906 2.379 -12.482 1.00 0.00 C ATOM 75 CG ASP A 5 35.003 2.508 -13.693 1.00 0.00 C ATOM 76 OD1 ASP A 5 35.043 3.566 -14.354 1.00 0.00 O ATOM 77 OD2 ASP A 5 34.255 1.549 -13.979 1.00 0.00 O ATOM 0 H ASP A 5 38.551 1.777 -11.418 1.00 0.00 H new ATOM 0 HA ASP A 5 37.446 3.008 -13.844 1.00 0.00 H new ATOM 0 HB2 ASP A 5 35.911 1.343 -12.144 1.00 0.00 H new ATOM 0 HB3 ASP A 5 35.503 2.978 -11.666 1.00 0.00 H new ATOM 82 N ASP A 6 38.150 3.982 -10.804 1.00 0.00 N ATOM 83 CA ASP A 6 38.487 5.140 -9.983 1.00 0.00 C ATOM 84 C ASP A 6 39.429 4.747 -8.852 1.00 0.00 C ATOM 85 O ASP A 6 40.636 4.982 -8.924 1.00 0.00 O ATOM 86 CB ASP A 6 37.217 5.774 -9.411 1.00 0.00 C ATOM 87 CG ASP A 6 37.389 7.251 -9.119 1.00 0.00 C ATOM 88 OD1 ASP A 6 37.517 8.036 -10.082 1.00 0.00 O ATOM 89 OD2 ASP A 6 37.395 7.624 -7.927 1.00 0.00 O ATOM 0 H ASP A 6 38.333 3.082 -10.359 1.00 0.00 H new ATOM 0 HA ASP A 6 38.993 5.869 -10.616 1.00 0.00 H new ATOM 0 HB2 ASP A 6 36.397 5.639 -10.117 1.00 0.00 H new ATOM 0 HB3 ASP A 6 36.937 5.255 -8.494 1.00 0.00 H new ATOM 94 N ASP A 7 38.869 4.150 -7.806 1.00 0.00 N ATOM 95 CA ASP A 7 39.655 3.722 -6.655 1.00 0.00 C ATOM 96 C ASP A 7 38.954 2.591 -5.908 1.00 0.00 C ATOM 97 O ASP A 7 39.449 1.464 -5.862 1.00 0.00 O ATOM 98 CB ASP A 7 39.898 4.900 -5.710 1.00 0.00 C ATOM 99 CG ASP A 7 41.308 5.446 -5.818 1.00 0.00 C ATOM 100 OD1 ASP A 7 42.227 4.840 -5.227 1.00 0.00 O ATOM 101 OD2 ASP A 7 41.494 6.480 -6.494 1.00 0.00 O ATOM 0 H ASP A 7 37.871 3.951 -7.731 1.00 0.00 H new ATOM 0 HA ASP A 7 40.614 3.353 -7.018 1.00 0.00 H new ATOM 0 HB2 ASP A 7 39.186 5.694 -5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 7 39.711 4.584 -4.684 1.00 0.00 H new ATOM 106 N LYS A 8 37.801 2.900 -5.325 1.00 0.00 N ATOM 107 CA LYS A 8 37.030 1.910 -4.580 1.00 0.00 C ATOM 108 C LYS A 8 36.226 1.025 -5.523 1.00 0.00 C ATOM 109 O LYS A 8 36.325 1.149 -6.743 1.00 0.00 O ATOM 110 CB LYS A 8 36.096 2.602 -3.587 1.00 0.00 C ATOM 111 CG LYS A 8 36.743 2.893 -2.243 1.00 0.00 C ATOM 112 CD LYS A 8 36.944 4.384 -2.033 1.00 0.00 C ATOM 113 CE LYS A 8 37.462 4.687 -0.636 1.00 0.00 C ATOM 114 NZ LYS A 8 36.566 5.621 0.098 1.00 0.00 N ATOM 0 H LYS A 8 37.379 3.828 -5.354 1.00 0.00 H new ATOM 0 HA LYS A 8 37.729 1.280 -4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 8 35.746 3.538 -4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 8 35.218 1.975 -3.430 1.00 0.00 H new ATOM 0 HG2 LYS A 8 36.119 2.493 -1.444 1.00 0.00 H new ATOM 0 HG3 LYS A 8 37.705 2.383 -2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 8 37.648 4.765 -2.773 1.00 0.00 H new ATOM 0 HD3 LYS A 8 36.000 4.905 -2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 8 37.556 3.758 -0.074 1.00 0.00 H new ATOM 0 HE3 LYS A 8 38.460 5.120 -0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 36.954 5.802 1.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 36.496 6.517 -0.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 35.620 5.197 0.187 1.00 0.00 H new ATOM 128 N VAL A 9 35.431 0.128 -4.949 1.00 0.00 N ATOM 129 CA VAL A 9 34.612 -0.780 -5.739 1.00 0.00 C ATOM 130 C VAL A 9 33.316 -1.128 -5.012 1.00 0.00 C ATOM 131 O VAL A 9 33.205 -0.947 -3.799 1.00 0.00 O ATOM 132 CB VAL A 9 35.386 -2.074 -6.078 1.00 0.00 C ATOM 133 CG1 VAL A 9 35.042 -3.196 -5.106 1.00 0.00 C ATOM 134 CG2 VAL A 9 35.111 -2.496 -7.511 1.00 0.00 C ATOM 0 H VAL A 9 35.337 0.012 -3.940 1.00 0.00 H new ATOM 0 HA VAL A 9 34.363 -0.267 -6.668 1.00 0.00 H new ATOM 0 HB VAL A 9 36.451 -1.866 -5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 9 35.603 -4.092 -5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 9 35.303 -2.892 -4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 9 33.974 -3.408 -5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 9 35.663 -3.409 -7.734 1.00 0.00 H new ATOM 0 HG22 VAL A 9 34.044 -2.678 -7.638 1.00 0.00 H new ATOM 0 HG23 VAL A 9 35.428 -1.705 -8.190 1.00 0.00 H new ATOM 144 N LYS A 10 32.338 -1.628 -5.762 1.00 0.00 N ATOM 145 CA LYS A 10 31.050 -2.002 -5.190 1.00 0.00 C ATOM 146 C LYS A 10 30.519 -3.280 -5.831 1.00 0.00 C ATOM 147 O LYS A 10 30.166 -3.294 -7.011 1.00 0.00 O ATOM 148 CB LYS A 10 30.039 -0.868 -5.373 1.00 0.00 C ATOM 149 CG LYS A 10 29.909 0.032 -4.155 1.00 0.00 C ATOM 150 CD LYS A 10 29.096 1.278 -4.467 1.00 0.00 C ATOM 151 CE LYS A 10 29.486 2.439 -3.565 1.00 0.00 C ATOM 152 NZ LYS A 10 28.737 3.680 -3.902 1.00 0.00 N ATOM 0 H LYS A 10 32.414 -1.783 -6.767 1.00 0.00 H new ATOM 0 HA LYS A 10 31.193 -2.184 -4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 10 30.334 -0.264 -6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 10 29.063 -1.296 -5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 10 29.435 -0.519 -3.343 1.00 0.00 H new ATOM 0 HG3 LYS A 10 30.901 0.321 -3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 10 29.246 1.560 -5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 10 28.035 1.061 -4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 10 29.296 2.171 -2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 10 30.556 2.625 -3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 29.032 4.447 -3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 28.938 3.951 -4.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.717 3.511 -3.791 1.00 0.00 H new ATOM 166 N LEU A 11 30.463 -4.351 -5.045 1.00 0.00 N ATOM 167 CA LEU A 11 29.975 -5.634 -5.534 1.00 0.00 C ATOM 168 C LEU A 11 28.766 -6.098 -4.727 1.00 0.00 C ATOM 169 O LEU A 11 28.318 -7.237 -4.862 1.00 0.00 O ATOM 170 CB LEU A 11 31.083 -6.685 -5.466 1.00 0.00 C ATOM 171 CG LEU A 11 31.970 -6.773 -6.710 1.00 0.00 C ATOM 172 CD1 LEU A 11 33.437 -6.657 -6.327 1.00 0.00 C ATOM 173 CD2 LEU A 11 31.712 -8.073 -7.458 1.00 0.00 C ATOM 0 H LEU A 11 30.750 -4.355 -4.066 1.00 0.00 H new ATOM 0 HA LEU A 11 29.670 -5.507 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 11 31.714 -6.471 -4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 11 30.628 -7.660 -5.293 1.00 0.00 H new ATOM 0 HG LEU A 11 31.721 -5.943 -7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 11 34.053 -6.722 -7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 11 33.610 -5.699 -5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 11 33.701 -7.467 -5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 11 32.351 -8.119 -8.340 1.00 0.00 H new ATOM 0 HD22 LEU A 11 31.933 -8.918 -6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 11 30.667 -8.115 -7.765 1.00 0.00 H new ATOM 185 N THR A 12 28.242 -5.208 -3.891 1.00 0.00 N ATOM 186 CA THR A 12 27.085 -5.527 -3.062 1.00 0.00 C ATOM 187 C THR A 12 25.795 -5.034 -3.709 1.00 0.00 C ATOM 188 O THR A 12 25.699 -3.880 -4.125 1.00 0.00 O ATOM 189 CB THR A 12 27.212 -4.905 -1.659 1.00 0.00 C ATOM 190 OG1 THR A 12 27.241 -3.476 -1.755 1.00 0.00 O ATOM 191 CG2 THR A 12 28.470 -5.397 -0.960 1.00 0.00 C ATOM 0 H THR A 12 28.600 -4.261 -3.769 1.00 0.00 H new ATOM 0 HA THR A 12 27.051 -6.612 -2.968 1.00 0.00 H new ATOM 0 HB THR A 12 26.346 -5.211 -1.072 1.00 0.00 H new ATOM 0 HG1 THR A 12 26.805 -3.195 -2.587 1.00 0.00 H new ATOM 0 HG21 THR A 12 28.538 -4.944 0.029 1.00 0.00 H new ATOM 0 HG22 THR A 12 28.430 -6.482 -0.860 1.00 0.00 H new ATOM 0 HG23 THR A 12 29.345 -5.119 -1.547 1.00 0.00 H new ATOM 199 N CYS A 13 24.805 -5.918 -3.789 1.00 0.00 N ATOM 200 CA CYS A 13 23.519 -5.574 -4.384 1.00 0.00 C ATOM 201 C CYS A 13 22.679 -4.738 -3.423 1.00 0.00 C ATOM 202 O CYS A 13 22.871 -4.791 -2.209 1.00 0.00 O ATOM 203 CB CYS A 13 22.757 -6.843 -4.773 1.00 0.00 C ATOM 204 SG CYS A 13 23.018 -7.369 -6.498 1.00 0.00 S ATOM 0 H CYS A 13 24.869 -6.878 -3.449 1.00 0.00 H new ATOM 0 HA CYS A 13 23.709 -4.983 -5.280 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.058 -7.653 -4.108 1.00 0.00 H new ATOM 0 HB3 CYS A 13 21.692 -6.678 -4.612 1.00 0.00 H new ATOM 209 N TYR A 14 21.748 -3.967 -3.976 1.00 0.00 N ATOM 210 CA TYR A 14 20.878 -3.118 -3.169 1.00 0.00 C ATOM 211 C TYR A 14 19.567 -3.829 -2.853 1.00 0.00 C ATOM 212 O TYR A 14 18.987 -4.493 -3.713 1.00 0.00 O ATOM 213 CB TYR A 14 20.597 -1.803 -3.897 1.00 0.00 C ATOM 214 CG TYR A 14 20.040 -0.721 -3.001 1.00 0.00 C ATOM 215 CD1 TYR A 14 20.882 0.074 -2.233 1.00 0.00 C ATOM 216 CD2 TYR A 14 18.672 -0.492 -2.923 1.00 0.00 C ATOM 217 CE1 TYR A 14 20.377 1.064 -1.412 1.00 0.00 C ATOM 218 CE2 TYR A 14 18.160 0.497 -2.105 1.00 0.00 C ATOM 219 CZ TYR A 14 19.016 1.272 -1.352 1.00 0.00 C ATOM 220 OH TYR A 14 18.509 2.258 -0.536 1.00 0.00 O ATOM 0 H TYR A 14 21.576 -3.913 -4.980 1.00 0.00 H new ATOM 0 HA TYR A 14 21.389 -2.903 -2.230 1.00 0.00 H new ATOM 0 HB2 TYR A 14 21.520 -1.446 -4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 14 19.893 -1.990 -4.708 1.00 0.00 H new ATOM 0 HD1 TYR A 14 21.949 -0.085 -2.279 1.00 0.00 H new ATOM 0 HD2 TYR A 14 17.998 -1.097 -3.511 1.00 0.00 H new ATOM 0 HE1 TYR A 14 21.046 1.672 -0.820 1.00 0.00 H new ATOM 0 HE2 TYR A 14 17.094 0.662 -2.056 1.00 0.00 H new ATOM 0 HH TYR A 14 17.532 2.274 -0.611 1.00 0.00 H new ATOM 230 N GLN A 15 19.105 -3.686 -1.614 1.00 0.00 N ATOM 231 CA GLN A 15 17.862 -4.314 -1.184 1.00 0.00 C ATOM 232 C GLN A 15 17.192 -3.498 -0.082 1.00 0.00 C ATOM 233 O GLN A 15 17.739 -3.344 1.009 1.00 0.00 O ATOM 234 CB GLN A 15 18.129 -5.737 -0.689 1.00 0.00 C ATOM 235 CG GLN A 15 17.935 -6.800 -1.758 1.00 0.00 C ATOM 236 CD GLN A 15 16.513 -7.322 -1.809 1.00 0.00 C ATOM 237 OE1 GLN A 15 15.716 -6.907 -2.651 1.00 0.00 O ATOM 238 NE2 GLN A 15 16.188 -8.240 -0.908 1.00 0.00 N ATOM 0 H GLN A 15 19.574 -3.140 -0.891 1.00 0.00 H new ATOM 0 HA GLN A 15 17.190 -4.355 -2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 15 19.150 -5.796 -0.311 1.00 0.00 H new ATOM 0 HB3 GLN A 15 17.466 -5.951 0.149 1.00 0.00 H new ATOM 0 HG2 GLN A 15 18.201 -6.385 -2.730 1.00 0.00 H new ATOM 0 HG3 GLN A 15 18.616 -7.630 -1.568 1.00 0.00 H new ATOM 0 HE21 GLN A 15 16.880 -8.555 -0.228 1.00 0.00 H new ATOM 0 HE22 GLN A 15 15.246 -8.631 -0.895 1.00 0.00 H new ATOM 247 N ASN A 16 16.005 -2.977 -0.377 1.00 0.00 N ATOM 248 CA ASN A 16 15.260 -2.178 0.588 1.00 0.00 C ATOM 249 C ASN A 16 14.447 -3.070 1.522 1.00 0.00 C ATOM 250 O ASN A 16 13.216 -3.050 1.500 1.00 0.00 O ATOM 251 CB ASN A 16 14.336 -1.196 -0.136 1.00 0.00 C ATOM 252 CG ASN A 16 14.303 0.166 0.528 1.00 0.00 C ATOM 253 OD1 ASN A 16 15.326 0.840 0.637 1.00 0.00 O ATOM 254 ND2 ASN A 16 13.123 0.577 0.977 1.00 0.00 N ATOM 0 H ASN A 16 15.539 -3.094 -1.277 1.00 0.00 H new ATOM 0 HA ASN A 16 15.976 -1.616 1.187 1.00 0.00 H new ATOM 0 HB2 ASN A 16 14.666 -1.085 -1.169 1.00 0.00 H new ATOM 0 HB3 ASN A 16 13.327 -1.607 -0.166 1.00 0.00 H new ATOM 0 HD21 ASN A 16 13.039 1.485 1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.300 -0.015 0.865 1.00 0.00 H new ATOM 261 N GLY A 17 15.145 -3.852 2.340 1.00 0.00 N ATOM 262 CA GLY A 17 14.473 -4.741 3.269 1.00 0.00 C ATOM 263 C GLY A 17 14.204 -4.085 4.608 1.00 0.00 C ATOM 264 O GLY A 17 13.907 -4.767 5.589 1.00 0.00 O ATOM 0 H GLY A 17 16.164 -3.886 2.376 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.530 -5.071 2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.083 -5.632 3.420 1.00 0.00 H new ATOM 268 N VAL A 18 14.310 -2.755 4.641 1.00 0.00 N ATOM 269 CA VAL A 18 14.080 -1.977 5.860 1.00 0.00 C ATOM 270 C VAL A 18 14.807 -2.578 7.064 1.00 0.00 C ATOM 271 O VAL A 18 15.658 -3.455 6.916 1.00 0.00 O ATOM 272 CB VAL A 18 12.570 -1.840 6.174 1.00 0.00 C ATOM 273 CG1 VAL A 18 11.787 -1.555 4.902 1.00 0.00 C ATOM 274 CG2 VAL A 18 12.029 -3.082 6.870 1.00 0.00 C ATOM 0 H VAL A 18 14.556 -2.190 3.829 1.00 0.00 H new ATOM 0 HA VAL A 18 14.488 -0.984 5.673 1.00 0.00 H new ATOM 0 HB VAL A 18 12.447 -1.000 6.857 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.727 -1.462 5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.142 -0.626 4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.929 -2.373 4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.967 -2.950 7.075 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.170 -3.950 6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.563 -3.235 7.808 1.00 0.00 H new ATOM 284 N SER A 19 14.470 -2.093 8.257 1.00 0.00 N ATOM 285 CA SER A 19 15.091 -2.579 9.483 1.00 0.00 C ATOM 286 C SER A 19 14.804 -4.063 9.683 1.00 0.00 C ATOM 287 O SER A 19 13.730 -4.549 9.328 1.00 0.00 O ATOM 288 CB SER A 19 14.586 -1.781 10.687 1.00 0.00 C ATOM 289 OG SER A 19 14.910 -2.430 11.903 1.00 0.00 O ATOM 0 H SER A 19 13.771 -1.364 8.399 1.00 0.00 H new ATOM 0 HA SER A 19 16.169 -2.444 9.395 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.025 -0.783 10.676 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.506 -1.654 10.616 1.00 0.00 H new ATOM 0 HG SER A 19 14.578 -1.898 12.656 1.00 0.00 H new ATOM 295 N PHE A 20 15.769 -4.778 10.252 1.00 0.00 N ATOM 296 CA PHE A 20 15.614 -6.207 10.494 1.00 0.00 C ATOM 297 C PHE A 20 15.539 -6.510 11.986 1.00 0.00 C ATOM 298 O PHE A 20 16.263 -5.918 12.787 1.00 0.00 O ATOM 299 CB PHE A 20 16.769 -6.985 9.858 1.00 0.00 C ATOM 300 CG PHE A 20 16.461 -7.512 8.483 1.00 0.00 C ATOM 301 CD1 PHE A 20 15.156 -7.800 8.108 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.478 -7.720 7.566 1.00 0.00 C ATOM 303 CE1 PHE A 20 14.874 -8.284 6.846 1.00 0.00 C ATOM 304 CE2 PHE A 20 17.201 -8.204 6.301 1.00 0.00 C ATOM 305 CZ PHE A 20 15.897 -8.486 5.941 1.00 0.00 C ATOM 0 H PHE A 20 16.664 -4.392 10.553 1.00 0.00 H new ATOM 0 HA PHE A 20 14.677 -6.523 10.035 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.644 -6.337 9.801 1.00 0.00 H new ATOM 0 HB3 PHE A 20 17.033 -7.820 10.507 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.352 -7.644 8.812 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.499 -7.502 7.842 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.854 -8.504 6.567 1.00 0.00 H new ATOM 0 HE2 PHE A 20 18.003 -8.362 5.595 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.678 -8.864 4.953 1.00 0.00 H new ATOM 315 N THR A 21 14.659 -7.438 12.351 1.00 0.00 N ATOM 316 CA THR A 21 14.486 -7.823 13.746 1.00 0.00 C ATOM 317 C THR A 21 14.146 -9.304 13.868 1.00 0.00 C ATOM 318 O THR A 21 13.859 -9.969 12.872 1.00 0.00 O ATOM 319 CB THR A 21 13.375 -6.998 14.423 1.00 0.00 C ATOM 320 OG1 THR A 21 12.190 -7.016 13.618 1.00 0.00 O ATOM 321 CG2 THR A 21 13.824 -5.562 14.642 1.00 0.00 C ATOM 0 H THR A 21 14.055 -7.937 11.698 1.00 0.00 H new ATOM 0 HA THR A 21 15.433 -7.626 14.248 1.00 0.00 H new ATOM 0 HB THR A 21 13.161 -7.447 15.393 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.445 -6.630 14.124 1.00 0.00 H new ATOM 0 HG21 THR A 21 13.023 -4.999 15.121 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.708 -5.550 15.280 1.00 0.00 H new ATOM 0 HG23 THR A 21 14.064 -5.105 13.682 1.00 0.00 H new ATOM 329 N GLY A 22 14.180 -9.814 15.096 1.00 0.00 N ATOM 330 CA GLY A 22 13.874 -11.214 15.327 1.00 0.00 C ATOM 331 C GLY A 22 15.073 -12.114 15.105 1.00 0.00 C ATOM 332 O GLY A 22 15.195 -13.164 15.738 1.00 0.00 O ATOM 0 H GLY A 22 14.414 -9.283 15.935 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.513 -11.340 16.348 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.066 -11.520 14.663 1.00 0.00 H new ATOM 336 N GLY A 23 15.960 -11.705 14.203 1.00 0.00 N ATOM 337 CA GLY A 23 17.144 -12.492 13.916 1.00 0.00 C ATOM 338 C GLY A 23 18.269 -12.226 14.896 1.00 0.00 C ATOM 339 O GLY A 23 18.280 -11.198 15.574 1.00 0.00 O ATOM 0 H GLY A 23 15.879 -10.842 13.666 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.887 -13.551 13.941 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.487 -12.271 12.905 1.00 0.00 H new ATOM 343 N LYS A 24 19.218 -13.153 14.971 1.00 0.00 N ATOM 344 CA LYS A 24 20.353 -13.014 15.877 1.00 0.00 C ATOM 345 C LYS A 24 21.559 -12.427 15.152 1.00 0.00 C ATOM 346 O LYS A 24 22.369 -13.158 14.580 1.00 0.00 O ATOM 347 CB LYS A 24 20.718 -14.371 16.483 1.00 0.00 C ATOM 348 CG LYS A 24 20.239 -14.545 17.916 1.00 0.00 C ATOM 349 CD LYS A 24 21.387 -14.440 18.905 1.00 0.00 C ATOM 350 CE LYS A 24 22.073 -15.781 19.109 1.00 0.00 C ATOM 351 NZ LYS A 24 23.501 -15.622 19.499 1.00 0.00 N ATOM 0 H LYS A 24 19.224 -14.009 14.416 1.00 0.00 H new ATOM 0 HA LYS A 24 20.066 -12.332 16.677 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.290 -15.162 15.867 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.801 -14.494 16.453 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.490 -13.787 18.145 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.753 -15.515 18.023 1.00 0.00 H new ATOM 0 HD2 LYS A 24 22.112 -13.710 18.545 1.00 0.00 H new ATOM 0 HD3 LYS A 24 21.013 -14.073 19.861 1.00 0.00 H new ATOM 0 HE2 LYS A 24 21.547 -16.344 19.880 1.00 0.00 H new ATOM 0 HE3 LYS A 24 22.011 -16.364 18.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 23.932 -16.560 19.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 24.010 -15.107 18.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 23.560 -15.088 20.389 1.00 0.00 H new ATOM 365 N ALA A 25 21.673 -11.103 15.181 1.00 0.00 N ATOM 366 CA ALA A 25 22.780 -10.416 14.526 1.00 0.00 C ATOM 367 C ALA A 25 24.115 -10.816 15.145 1.00 0.00 C ATOM 368 O ALA A 25 24.310 -10.690 16.355 1.00 0.00 O ATOM 369 CB ALA A 25 22.590 -8.909 14.609 1.00 0.00 C ATOM 0 H ALA A 25 21.012 -10.485 15.651 1.00 0.00 H new ATOM 0 HA ALA A 25 22.790 -10.713 13.477 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.424 -8.409 14.116 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.658 -8.632 14.116 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.552 -8.604 15.655 1.00 0.00 H new ATOM 375 N ILE A 26 25.033 -11.290 14.309 1.00 0.00 N ATOM 376 CA ILE A 26 26.352 -11.697 14.780 1.00 0.00 C ATOM 377 C ILE A 26 27.125 -10.494 15.301 1.00 0.00 C ATOM 378 O ILE A 26 28.085 -10.635 16.057 1.00 0.00 O ATOM 379 CB ILE A 26 27.169 -12.379 13.664 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.449 -11.394 12.527 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.432 -13.603 13.141 1.00 0.00 C ATOM 382 CD1 ILE A 26 28.889 -10.934 12.463 1.00 0.00 C ATOM 0 H ILE A 26 24.889 -11.402 13.305 1.00 0.00 H new ATOM 0 HA ILE A 26 26.199 -12.415 15.586 1.00 0.00 H new ATOM 0 HB ILE A 26 28.123 -12.702 14.081 1.00 0.00 H new ATOM 0 HG12 ILE A 26 27.184 -11.862 11.579 1.00 0.00 H new ATOM 0 HG13 ILE A 26 26.803 -10.524 12.645 1.00 0.00 H new ATOM 0 HG21 ILE A 26 27.021 -14.074 12.354 1.00 0.00 H new ATOM 0 HG22 ILE A 26 26.281 -14.312 13.955 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.465 -13.301 12.739 1.00 0.00 H new ATOM 0 HD11 ILE A 26 29.012 -10.238 11.633 1.00 0.00 H new ATOM 0 HD12 ILE A 26 29.154 -10.437 13.396 1.00 0.00 H new ATOM 0 HD13 ILE A 26 29.540 -11.796 12.314 1.00 0.00 H new ATOM 394 N SER A 27 26.688 -9.310 14.885 1.00 0.00 N ATOM 395 CA SER A 27 27.321 -8.065 15.295 1.00 0.00 C ATOM 396 C SER A 27 26.518 -6.875 14.797 1.00 0.00 C ATOM 397 O SER A 27 25.869 -6.941 13.756 1.00 0.00 O ATOM 398 CB SER A 27 28.751 -7.992 14.762 1.00 0.00 C ATOM 399 OG SER A 27 29.552 -7.142 15.562 1.00 0.00 O ATOM 0 H SER A 27 25.892 -9.188 14.259 1.00 0.00 H new ATOM 0 HA SER A 27 27.352 -8.037 16.384 1.00 0.00 H new ATOM 0 HB2 SER A 27 29.185 -8.991 14.740 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.741 -7.627 13.735 1.00 0.00 H new ATOM 0 HG SER A 27 30.462 -7.114 15.200 1.00 0.00 H new ATOM 405 N GLU A 28 26.557 -5.791 15.557 1.00 0.00 N ATOM 406 CA GLU A 28 25.825 -4.585 15.201 1.00 0.00 C ATOM 407 C GLU A 28 26.673 -3.346 15.458 1.00 0.00 C ATOM 408 O GLU A 28 27.368 -3.255 16.469 1.00 0.00 O ATOM 409 CB GLU A 28 24.528 -4.500 16.004 1.00 0.00 C ATOM 410 CG GLU A 28 24.110 -5.819 16.636 1.00 0.00 C ATOM 411 CD GLU A 28 23.794 -5.685 18.113 1.00 0.00 C ATOM 412 OE1 GLU A 28 24.742 -5.705 18.927 1.00 0.00 O ATOM 413 OE2 GLU A 28 22.600 -5.558 18.455 1.00 0.00 O ATOM 0 H GLU A 28 27.088 -5.722 16.425 1.00 0.00 H new ATOM 0 HA GLU A 28 25.586 -4.630 14.138 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.646 -3.753 16.789 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.729 -4.152 15.350 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.234 -6.206 16.115 1.00 0.00 H new ATOM 0 HG3 GLU A 28 24.908 -6.550 16.504 1.00 0.00 H new ATOM 420 N ALA A 29 26.609 -2.397 14.535 1.00 0.00 N ATOM 421 CA ALA A 29 27.370 -1.159 14.660 1.00 0.00 C ATOM 422 C ALA A 29 26.453 0.026 14.940 1.00 0.00 C ATOM 423 O ALA A 29 25.230 -0.098 14.895 1.00 0.00 O ATOM 424 CB ALA A 29 28.186 -0.912 13.401 1.00 0.00 C ATOM 0 H ALA A 29 26.039 -2.459 13.691 1.00 0.00 H new ATOM 0 HA ALA A 29 28.050 -1.264 15.506 1.00 0.00 H new ATOM 0 HB1 ALA A 29 28.749 0.015 13.508 1.00 0.00 H new ATOM 0 HB2 ALA A 29 28.877 -1.740 13.247 1.00 0.00 H new ATOM 0 HB3 ALA A 29 27.517 -0.833 12.544 1.00 0.00 H new ATOM 430 N LYS A 30 27.055 1.176 15.228 1.00 0.00 N ATOM 431 CA LYS A 30 26.296 2.388 15.512 1.00 0.00 C ATOM 432 C LYS A 30 26.662 3.493 14.526 1.00 0.00 C ATOM 433 O LYS A 30 27.333 4.462 14.884 1.00 0.00 O ATOM 434 CB LYS A 30 26.557 2.856 16.946 1.00 0.00 C ATOM 435 CG LYS A 30 26.313 1.780 17.991 1.00 0.00 C ATOM 436 CD LYS A 30 27.550 1.539 18.842 1.00 0.00 C ATOM 437 CE LYS A 30 27.377 2.099 20.246 1.00 0.00 C ATOM 438 NZ LYS A 30 26.858 1.073 21.192 1.00 0.00 N ATOM 0 H LYS A 30 28.067 1.293 15.271 1.00 0.00 H new ATOM 0 HA LYS A 30 25.235 2.162 15.403 1.00 0.00 H new ATOM 0 HB2 LYS A 30 27.588 3.200 17.025 1.00 0.00 H new ATOM 0 HB3 LYS A 30 25.918 3.712 17.162 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.482 2.075 18.631 1.00 0.00 H new ATOM 0 HG3 LYS A 30 26.023 0.852 17.498 1.00 0.00 H new ATOM 0 HD2 LYS A 30 27.752 0.469 18.898 1.00 0.00 H new ATOM 0 HD3 LYS A 30 28.415 2.002 18.368 1.00 0.00 H new ATOM 0 HE2 LYS A 30 28.334 2.475 20.607 1.00 0.00 H new ATOM 0 HE3 LYS A 30 26.692 2.946 20.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.754 1.494 22.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 25.933 0.732 20.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 27.524 0.276 21.239 1.00 0.00 H new ATOM 452 N ALA A 31 26.225 3.334 13.282 1.00 0.00 N ATOM 453 CA ALA A 31 26.512 4.311 12.240 1.00 0.00 C ATOM 454 C ALA A 31 25.231 4.849 11.614 1.00 0.00 C ATOM 455 O ALA A 31 24.163 4.252 11.748 1.00 0.00 O ATOM 456 CB ALA A 31 27.398 3.689 11.172 1.00 0.00 C ATOM 0 H ALA A 31 25.670 2.537 12.971 1.00 0.00 H new ATOM 0 HA ALA A 31 27.037 5.149 12.699 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.607 4.427 10.398 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.335 3.360 11.622 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.888 2.833 10.730 1.00 0.00 H new ATOM 462 N ALA A 32 25.349 5.980 10.925 1.00 0.00 N ATOM 463 CA ALA A 32 24.206 6.600 10.268 1.00 0.00 C ATOM 464 C ALA A 32 24.173 6.239 8.787 1.00 0.00 C ATOM 465 O ALA A 32 23.137 6.355 8.131 1.00 0.00 O ATOM 466 CB ALA A 32 24.248 8.110 10.445 1.00 0.00 C ATOM 0 H ALA A 32 26.227 6.486 10.808 1.00 0.00 H new ATOM 0 HA ALA A 32 23.296 6.220 10.733 1.00 0.00 H new ATOM 0 HB1 ALA A 32 23.388 8.559 9.949 1.00 0.00 H new ATOM 0 HB2 ALA A 32 24.221 8.353 11.507 1.00 0.00 H new ATOM 0 HB3 ALA A 32 25.165 8.502 10.006 1.00 0.00 H new ATOM 472 N SER A 33 25.315 5.795 8.271 1.00 0.00 N ATOM 473 CA SER A 33 25.426 5.410 6.870 1.00 0.00 C ATOM 474 C SER A 33 25.974 3.992 6.743 1.00 0.00 C ATOM 475 O SER A 33 26.865 3.592 7.493 1.00 0.00 O ATOM 476 CB SER A 33 26.331 6.389 6.119 1.00 0.00 C ATOM 477 OG SER A 33 25.572 7.264 5.303 1.00 0.00 O ATOM 0 H SER A 33 26.178 5.693 8.805 1.00 0.00 H new ATOM 0 HA SER A 33 24.430 5.439 6.429 1.00 0.00 H new ATOM 0 HB2 SER A 33 26.916 6.969 6.833 1.00 0.00 H new ATOM 0 HB3 SER A 33 27.039 5.835 5.503 1.00 0.00 H new ATOM 0 HG SER A 33 26.174 7.880 4.836 1.00 0.00 H new ATOM 483 N SER A 34 25.432 3.236 5.795 1.00 0.00 N ATOM 484 CA SER A 34 25.864 1.861 5.573 1.00 0.00 C ATOM 485 C SER A 34 27.355 1.794 5.275 1.00 0.00 C ATOM 486 O SER A 34 28.010 0.794 5.568 1.00 0.00 O ATOM 487 CB SER A 34 25.081 1.241 4.419 1.00 0.00 C ATOM 488 OG SER A 34 23.759 1.747 4.367 1.00 0.00 O ATOM 0 H SER A 34 24.692 3.552 5.168 1.00 0.00 H new ATOM 0 HA SER A 34 25.669 1.298 6.486 1.00 0.00 H new ATOM 0 HB2 SER A 34 25.590 1.449 3.478 1.00 0.00 H new ATOM 0 HB3 SER A 34 25.054 0.157 4.535 1.00 0.00 H new ATOM 0 HG SER A 34 23.280 1.335 3.618 1.00 0.00 H new ATOM 494 N GLN A 35 27.885 2.864 4.688 1.00 0.00 N ATOM 495 CA GLN A 35 29.302 2.928 4.348 1.00 0.00 C ATOM 496 C GLN A 35 30.158 2.526 5.545 1.00 0.00 C ATOM 497 O GLN A 35 31.100 1.743 5.415 1.00 0.00 O ATOM 498 CB GLN A 35 29.661 4.340 3.876 1.00 0.00 C ATOM 499 CG GLN A 35 31.113 4.727 4.120 1.00 0.00 C ATOM 500 CD GLN A 35 31.252 5.911 5.057 1.00 0.00 C ATOM 501 OE1 GLN A 35 30.994 7.052 4.677 1.00 0.00 O ATOM 502 NE2 GLN A 35 31.664 5.643 6.291 1.00 0.00 N ATOM 0 H GLN A 35 27.354 3.698 4.438 1.00 0.00 H new ATOM 0 HA GLN A 35 29.503 2.227 3.538 1.00 0.00 H new ATOM 0 HB2 GLN A 35 29.449 4.420 2.810 1.00 0.00 H new ATOM 0 HB3 GLN A 35 29.015 5.056 4.384 1.00 0.00 H new ATOM 0 HG2 GLN A 35 31.647 3.874 4.537 1.00 0.00 H new ATOM 0 HG3 GLN A 35 31.587 4.965 3.168 1.00 0.00 H new ATOM 0 HE21 GLN A 35 31.867 4.681 6.563 1.00 0.00 H new ATOM 0 HE22 GLN A 35 31.778 6.399 6.966 1.00 0.00 H new ATOM 511 N ALA A 36 29.813 3.058 6.712 1.00 0.00 N ATOM 512 CA ALA A 36 30.537 2.744 7.935 1.00 0.00 C ATOM 513 C ALA A 36 30.308 1.291 8.327 1.00 0.00 C ATOM 514 O ALA A 36 31.222 0.605 8.786 1.00 0.00 O ATOM 515 CB ALA A 36 30.111 3.674 9.060 1.00 0.00 C ATOM 0 H ALA A 36 29.037 3.708 6.836 1.00 0.00 H new ATOM 0 HA ALA A 36 31.602 2.890 7.755 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.662 3.425 9.967 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.322 4.706 8.779 1.00 0.00 H new ATOM 0 HB3 ALA A 36 29.042 3.559 9.242 1.00 0.00 H new ATOM 521 N CYS A 37 29.079 0.825 8.127 1.00 0.00 N ATOM 522 CA CYS A 37 28.718 -0.549 8.442 1.00 0.00 C ATOM 523 C CYS A 37 29.444 -1.515 7.513 1.00 0.00 C ATOM 524 O CYS A 37 29.614 -2.691 7.831 1.00 0.00 O ATOM 525 CB CYS A 37 27.205 -0.733 8.309 1.00 0.00 C ATOM 526 SG CYS A 37 26.231 0.706 8.853 1.00 0.00 S ATOM 0 H CYS A 37 28.315 1.383 7.746 1.00 0.00 H new ATOM 0 HA CYS A 37 29.015 -0.763 9.469 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.966 -0.947 7.267 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.903 -1.604 8.891 1.00 0.00 H new ATOM 531 N GLN A 38 29.876 -1.002 6.364 1.00 0.00 N ATOM 532 CA GLN A 38 30.592 -1.809 5.386 1.00 0.00 C ATOM 533 C GLN A 38 32.021 -2.061 5.845 1.00 0.00 C ATOM 534 O GLN A 38 32.484 -3.202 5.873 1.00 0.00 O ATOM 535 CB GLN A 38 30.595 -1.114 4.023 1.00 0.00 C ATOM 536 CG GLN A 38 29.242 -1.125 3.330 1.00 0.00 C ATOM 537 CD GLN A 38 29.153 -2.176 2.241 1.00 0.00 C ATOM 538 OE1 GLN A 38 29.181 -1.858 1.052 1.00 0.00 O ATOM 539 NE2 GLN A 38 29.044 -3.437 2.644 1.00 0.00 N ATOM 0 H GLN A 38 29.741 -0.029 6.089 1.00 0.00 H new ATOM 0 HA GLN A 38 30.081 -2.767 5.292 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.919 -0.081 4.152 1.00 0.00 H new ATOM 0 HB3 GLN A 38 31.328 -1.600 3.379 1.00 0.00 H new ATOM 0 HG2 GLN A 38 28.461 -1.306 4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 38 29.051 -0.143 2.898 1.00 0.00 H new ATOM 0 HE21 GLN A 38 29.025 -3.654 3.640 1.00 0.00 H new ATOM 0 HE22 GLN A 38 28.980 -4.188 1.957 1.00 0.00 H new ATOM 548 N GLU A 39 32.715 -0.988 6.213 1.00 0.00 N ATOM 549 CA GLU A 39 34.092 -1.094 6.682 1.00 0.00 C ATOM 550 C GLU A 39 34.149 -1.880 7.987 1.00 0.00 C ATOM 551 O GLU A 39 35.113 -2.599 8.253 1.00 0.00 O ATOM 552 CB GLU A 39 34.698 0.295 6.880 1.00 0.00 C ATOM 553 CG GLU A 39 35.558 0.755 5.714 1.00 0.00 C ATOM 554 CD GLU A 39 36.812 -0.080 5.548 1.00 0.00 C ATOM 555 OE1 GLU A 39 37.828 0.238 6.200 1.00 0.00 O ATOM 556 OE2 GLU A 39 36.778 -1.052 4.764 1.00 0.00 O ATOM 0 H GLU A 39 32.347 -0.037 6.195 1.00 0.00 H new ATOM 0 HA GLU A 39 34.672 -1.624 5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 39 33.894 1.015 7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 39 35.302 0.293 7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 39 34.972 0.710 4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 39 35.838 1.798 5.863 1.00 0.00 H new ATOM 563 N LEU A 40 33.102 -1.741 8.795 1.00 0.00 N ATOM 564 CA LEU A 40 33.018 -2.439 10.072 1.00 0.00 C ATOM 565 C LEU A 40 32.863 -3.938 9.846 1.00 0.00 C ATOM 566 O LEU A 40 33.659 -4.738 10.339 1.00 0.00 O ATOM 567 CB LEU A 40 31.837 -1.892 10.890 1.00 0.00 C ATOM 568 CG LEU A 40 31.506 -2.638 12.191 1.00 0.00 C ATOM 569 CD1 LEU A 40 30.491 -3.740 11.932 1.00 0.00 C ATOM 570 CD2 LEU A 40 32.759 -3.208 12.840 1.00 0.00 C ATOM 0 H LEU A 40 32.298 -1.149 8.586 1.00 0.00 H new ATOM 0 HA LEU A 40 33.939 -2.270 10.630 1.00 0.00 H new ATOM 0 HB2 LEU A 40 32.045 -0.851 11.136 1.00 0.00 H new ATOM 0 HB3 LEU A 40 30.950 -1.899 10.257 1.00 0.00 H new ATOM 0 HG LEU A 40 31.071 -1.918 12.884 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.269 -4.257 12.866 1.00 0.00 H new ATOM 0 HD12 LEU A 40 29.575 -3.305 11.532 1.00 0.00 H new ATOM 0 HD13 LEU A 40 30.900 -4.449 11.213 1.00 0.00 H new ATOM 0 HD21 LEU A 40 32.488 -3.729 13.758 1.00 0.00 H new ATOM 0 HD22 LEU A 40 33.238 -3.906 12.154 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.449 -2.397 13.073 1.00 0.00 H new ATOM 582 N CYS A 41 31.833 -4.313 9.096 1.00 0.00 N ATOM 583 CA CYS A 41 31.572 -5.715 8.802 1.00 0.00 C ATOM 584 C CYS A 41 32.724 -6.325 8.009 1.00 0.00 C ATOM 585 O CYS A 41 32.961 -7.532 8.069 1.00 0.00 O ATOM 586 CB CYS A 41 30.262 -5.855 8.025 1.00 0.00 C ATOM 587 SG CYS A 41 30.297 -7.117 6.711 1.00 0.00 S ATOM 0 H CYS A 41 31.165 -3.664 8.680 1.00 0.00 H new ATOM 0 HA CYS A 41 31.483 -6.254 9.745 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.463 -6.099 8.725 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.013 -4.892 7.580 1.00 0.00 H new ATOM 592 N GLU A 42 33.441 -5.483 7.271 1.00 0.00 N ATOM 593 CA GLU A 42 34.573 -5.940 6.474 1.00 0.00 C ATOM 594 C GLU A 42 35.680 -6.477 7.373 1.00 0.00 C ATOM 595 O GLU A 42 36.428 -7.375 6.987 1.00 0.00 O ATOM 596 CB GLU A 42 35.111 -4.797 5.609 1.00 0.00 C ATOM 597 CG GLU A 42 34.735 -4.915 4.142 1.00 0.00 C ATOM 598 CD GLU A 42 35.846 -4.457 3.217 1.00 0.00 C ATOM 599 OE1 GLU A 42 36.764 -5.260 2.949 1.00 0.00 O ATOM 600 OE2 GLU A 42 35.799 -3.294 2.762 1.00 0.00 O ATOM 0 H GLU A 42 33.258 -4.481 7.209 1.00 0.00 H new ATOM 0 HA GLU A 42 34.230 -6.745 5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 42 34.734 -3.851 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 42 36.197 -4.767 5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 42 34.484 -5.952 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 42 33.841 -4.322 3.951 1.00 0.00 H new ATOM 607 N LYS A 43 35.773 -5.920 8.576 1.00 0.00 N ATOM 608 CA LYS A 43 36.784 -6.341 9.539 1.00 0.00 C ATOM 609 C LYS A 43 36.358 -7.626 10.240 1.00 0.00 C ATOM 610 O LYS A 43 37.136 -8.230 10.979 1.00 0.00 O ATOM 611 CB LYS A 43 37.022 -5.236 10.571 1.00 0.00 C ATOM 612 CG LYS A 43 37.865 -4.085 10.045 1.00 0.00 C ATOM 613 CD LYS A 43 39.274 -4.120 10.614 1.00 0.00 C ATOM 614 CE LYS A 43 39.874 -2.726 10.701 1.00 0.00 C ATOM 615 NZ LYS A 43 40.520 -2.317 9.422 1.00 0.00 N ATOM 0 H LYS A 43 35.160 -5.175 8.907 1.00 0.00 H new ATOM 0 HA LYS A 43 37.712 -6.532 9.001 1.00 0.00 H new ATOM 0 HB2 LYS A 43 36.060 -4.848 10.904 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.513 -5.665 11.445 1.00 0.00 H new ATOM 0 HG2 LYS A 43 37.910 -4.133 8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 43 37.391 -3.138 10.303 1.00 0.00 H new ATOM 0 HD2 LYS A 43 39.256 -4.572 11.606 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.905 -4.751 9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 43 39.093 -2.010 10.958 1.00 0.00 H new ATOM 0 HE3 LYS A 43 40.610 -2.697 11.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 40.916 -1.361 9.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 41.282 -2.985 9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 39.813 -2.319 8.660 1.00 0.00 H new ATOM 629 N ASP A 44 35.115 -8.037 10.002 1.00 0.00 N ATOM 630 CA ASP A 44 34.580 -9.251 10.609 1.00 0.00 C ATOM 631 C ASP A 44 34.412 -10.351 9.565 1.00 0.00 C ATOM 632 O ASP A 44 34.000 -10.090 8.434 1.00 0.00 O ATOM 633 CB ASP A 44 33.237 -8.960 11.281 1.00 0.00 C ATOM 634 CG ASP A 44 32.980 -9.860 12.472 1.00 0.00 C ATOM 635 OD1 ASP A 44 33.135 -11.091 12.332 1.00 0.00 O ATOM 636 OD2 ASP A 44 32.621 -9.334 13.547 1.00 0.00 O ATOM 0 H ASP A 44 34.460 -7.547 9.393 1.00 0.00 H new ATOM 0 HA ASP A 44 35.288 -9.595 11.363 1.00 0.00 H new ATOM 0 HB2 ASP A 44 33.213 -7.919 11.604 1.00 0.00 H new ATOM 0 HB3 ASP A 44 32.435 -9.086 10.554 1.00 0.00 H new ATOM 641 N ALA A 45 34.733 -11.582 9.953 1.00 0.00 N ATOM 642 CA ALA A 45 34.617 -12.722 9.051 1.00 0.00 C ATOM 643 C ALA A 45 33.340 -13.510 9.328 1.00 0.00 C ATOM 644 O ALA A 45 33.194 -14.650 8.884 1.00 0.00 O ATOM 645 CB ALA A 45 35.834 -13.623 9.182 1.00 0.00 C ATOM 0 H ALA A 45 35.075 -11.815 10.885 1.00 0.00 H new ATOM 0 HA ALA A 45 34.567 -12.345 8.030 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.734 -14.470 8.503 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.733 -13.060 8.930 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.909 -13.986 10.207 1.00 0.00 H new ATOM 651 N LYS A 46 32.420 -12.895 10.064 1.00 0.00 N ATOM 652 CA LYS A 46 31.155 -13.536 10.403 1.00 0.00 C ATOM 653 C LYS A 46 29.979 -12.758 9.826 1.00 0.00 C ATOM 654 O LYS A 46 28.822 -13.041 10.135 1.00 0.00 O ATOM 655 CB LYS A 46 31.011 -13.650 11.921 1.00 0.00 C ATOM 656 CG LYS A 46 31.540 -14.957 12.486 1.00 0.00 C ATOM 657 CD LYS A 46 30.986 -15.229 13.875 1.00 0.00 C ATOM 658 CE LYS A 46 32.045 -15.028 14.946 1.00 0.00 C ATOM 659 NZ LYS A 46 32.153 -16.207 15.850 1.00 0.00 N ATOM 0 H LYS A 46 32.527 -11.952 10.438 1.00 0.00 H new ATOM 0 HA LYS A 46 31.153 -14.535 9.968 1.00 0.00 H new ATOM 0 HB2 LYS A 46 31.539 -12.821 12.391 1.00 0.00 H new ATOM 0 HB3 LYS A 46 29.959 -13.549 12.186 1.00 0.00 H new ATOM 0 HG2 LYS A 46 31.273 -15.777 11.820 1.00 0.00 H new ATOM 0 HG3 LYS A 46 32.629 -14.922 12.528 1.00 0.00 H new ATOM 0 HD2 LYS A 46 30.142 -14.567 14.067 1.00 0.00 H new ATOM 0 HD3 LYS A 46 30.607 -16.250 13.923 1.00 0.00 H new ATOM 0 HE2 LYS A 46 33.009 -14.844 14.473 1.00 0.00 H new ATOM 0 HE3 LYS A 46 31.804 -14.142 15.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 32.886 -16.029 16.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 31.240 -16.368 16.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 32.408 -17.048 15.294 1.00 0.00 H new ATOM 673 N CYS A 47 30.282 -11.775 8.986 1.00 0.00 N ATOM 674 CA CYS A 47 29.249 -10.954 8.364 1.00 0.00 C ATOM 675 C CYS A 47 29.070 -11.322 6.894 1.00 0.00 C ATOM 676 O CYS A 47 30.045 -11.543 6.176 1.00 0.00 O ATOM 677 CB CYS A 47 29.602 -9.471 8.493 1.00 0.00 C ATOM 678 SG CYS A 47 28.822 -8.407 7.235 1.00 0.00 S ATOM 0 H CYS A 47 31.235 -11.527 8.720 1.00 0.00 H new ATOM 0 HA CYS A 47 28.309 -11.143 8.882 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.305 -9.123 9.482 1.00 0.00 H new ATOM 0 HB3 CYS A 47 30.684 -9.359 8.427 1.00 0.00 H new ATOM 683 N ARG A 48 27.817 -11.386 6.455 1.00 0.00 N ATOM 684 CA ARG A 48 27.505 -11.726 5.071 1.00 0.00 C ATOM 685 C ARG A 48 26.344 -10.881 4.554 1.00 0.00 C ATOM 686 O ARG A 48 26.347 -10.440 3.406 1.00 0.00 O ATOM 687 CB ARG A 48 27.162 -13.213 4.954 1.00 0.00 C ATOM 688 CG ARG A 48 28.278 -14.048 4.350 1.00 0.00 C ATOM 689 CD ARG A 48 28.215 -15.490 4.826 1.00 0.00 C ATOM 690 NE ARG A 48 29.506 -16.163 4.708 1.00 0.00 N ATOM 691 CZ ARG A 48 30.384 -16.254 5.703 1.00 0.00 C ATOM 692 NH1 ARG A 48 30.112 -15.717 6.884 1.00 0.00 N ATOM 693 NH2 ARG A 48 31.537 -16.882 5.514 1.00 0.00 N ATOM 0 H ARG A 48 27.000 -11.207 7.039 1.00 0.00 H new ATOM 0 HA ARG A 48 28.384 -11.515 4.463 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.924 -13.602 5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.266 -13.324 4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 48 28.208 -14.019 3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 48 29.242 -13.617 4.618 1.00 0.00 H new ATOM 0 HD2 ARG A 48 27.887 -15.515 5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 48 27.469 -16.032 4.244 1.00 0.00 H new ATOM 0 HE ARG A 48 29.748 -16.587 3.812 1.00 0.00 H new ATOM 0 HH11 ARG A 48 29.227 -15.232 7.032 1.00 0.00 H new ATOM 0 HH12 ARG A 48 30.788 -15.789 7.645 1.00 0.00 H new ATOM 0 HH21 ARG A 48 31.750 -17.295 4.606 1.00 0.00 H new ATOM 0 HH22 ARG A 48 32.211 -16.952 6.277 1.00 0.00 H new ATOM 707 N PHE A 49 25.355 -10.659 5.414 1.00 0.00 N ATOM 708 CA PHE A 49 24.185 -9.866 5.052 1.00 0.00 C ATOM 709 C PHE A 49 23.950 -8.756 6.070 1.00 0.00 C ATOM 710 O PHE A 49 23.159 -8.911 6.999 1.00 0.00 O ATOM 711 CB PHE A 49 22.942 -10.757 4.960 1.00 0.00 C ATOM 712 CG PHE A 49 23.230 -12.155 4.495 1.00 0.00 C ATOM 713 CD1 PHE A 49 23.582 -12.404 3.177 1.00 0.00 C ATOM 714 CD2 PHE A 49 23.147 -13.222 5.375 1.00 0.00 C ATOM 715 CE1 PHE A 49 23.846 -13.690 2.747 1.00 0.00 C ATOM 716 CE2 PHE A 49 23.410 -14.510 4.950 1.00 0.00 C ATOM 717 CZ PHE A 49 23.760 -14.745 3.634 1.00 0.00 C ATOM 0 H PHE A 49 25.341 -11.018 6.369 1.00 0.00 H new ATOM 0 HA PHE A 49 24.371 -9.414 4.078 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.465 -10.801 5.939 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.227 -10.297 4.278 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.651 -11.583 2.479 1.00 0.00 H new ATOM 0 HD2 PHE A 49 22.874 -13.045 6.405 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.119 -13.870 1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 49 23.342 -15.333 5.646 1.00 0.00 H new ATOM 0 HZ PHE A 49 23.966 -15.751 3.300 1.00 0.00 H new ATOM 727 N PHE A 50 24.645 -7.637 5.893 1.00 0.00 N ATOM 728 CA PHE A 50 24.510 -6.504 6.802 1.00 0.00 C ATOM 729 C PHE A 50 23.139 -5.847 6.655 1.00 0.00 C ATOM 730 O PHE A 50 22.440 -6.060 5.664 1.00 0.00 O ATOM 731 CB PHE A 50 25.619 -5.478 6.546 1.00 0.00 C ATOM 732 CG PHE A 50 25.342 -4.563 5.387 1.00 0.00 C ATOM 733 CD1 PHE A 50 25.520 -4.999 4.085 1.00 0.00 C ATOM 734 CD2 PHE A 50 24.901 -3.268 5.604 1.00 0.00 C ATOM 735 CE1 PHE A 50 25.263 -4.160 3.018 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.643 -2.423 4.541 1.00 0.00 C ATOM 737 CZ PHE A 50 24.824 -2.870 3.247 1.00 0.00 C ATOM 0 H PHE A 50 25.306 -7.490 5.130 1.00 0.00 H new ATOM 0 HA PHE A 50 24.604 -6.876 7.822 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.761 -4.878 7.445 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.555 -6.006 6.364 1.00 0.00 H new ATOM 0 HD1 PHE A 50 25.864 -6.006 3.901 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.757 -2.915 6.614 1.00 0.00 H new ATOM 0 HE1 PHE A 50 25.405 -4.512 2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 50 24.300 -1.415 4.722 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.623 -2.212 2.415 1.00 0.00 H new ATOM 747 N THR A 51 22.763 -5.051 7.651 1.00 0.00 N ATOM 748 CA THR A 51 21.478 -4.362 7.643 1.00 0.00 C ATOM 749 C THR A 51 21.512 -3.140 8.555 1.00 0.00 C ATOM 750 O THR A 51 21.454 -3.264 9.779 1.00 0.00 O ATOM 751 CB THR A 51 20.335 -5.299 8.087 1.00 0.00 C ATOM 752 OG1 THR A 51 20.200 -6.380 7.156 1.00 0.00 O ATOM 753 CG2 THR A 51 19.018 -4.545 8.186 1.00 0.00 C ATOM 0 H THR A 51 23.333 -4.867 8.477 1.00 0.00 H new ATOM 0 HA THR A 51 21.291 -4.042 6.618 1.00 0.00 H new ATOM 0 HB THR A 51 20.583 -5.693 9.073 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.405 -7.226 7.605 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.230 -5.229 8.501 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.113 -3.741 8.916 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.766 -4.124 7.213 1.00 0.00 H new ATOM 761 N LEU A 52 21.607 -1.959 7.949 1.00 0.00 N ATOM 762 CA LEU A 52 21.651 -0.712 8.704 1.00 0.00 C ATOM 763 C LEU A 52 20.258 -0.098 8.815 1.00 0.00 C ATOM 764 O LEU A 52 19.401 -0.321 7.962 1.00 0.00 O ATOM 765 CB LEU A 52 22.612 0.279 8.038 1.00 0.00 C ATOM 766 CG LEU A 52 22.425 1.744 8.444 1.00 0.00 C ATOM 767 CD1 LEU A 52 23.244 2.064 9.685 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.805 2.668 7.297 1.00 0.00 C ATOM 0 H LEU A 52 21.655 -1.841 6.937 1.00 0.00 H new ATOM 0 HA LEU A 52 22.012 -0.933 9.708 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.634 -0.018 8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.497 0.201 6.957 1.00 0.00 H new ATOM 0 HG LEU A 52 21.373 1.904 8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 52 23.098 3.109 9.958 1.00 0.00 H new ATOM 0 HD12 LEU A 52 22.922 1.426 10.508 1.00 0.00 H new ATOM 0 HD13 LEU A 52 24.300 1.887 9.480 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.666 3.705 7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.849 2.506 7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 52 22.173 2.457 6.435 1.00 0.00 H new ATOM 780 N ALA A 53 20.044 0.681 9.870 1.00 0.00 N ATOM 781 CA ALA A 53 18.760 1.334 10.094 1.00 0.00 C ATOM 782 C ALA A 53 18.931 2.845 10.198 1.00 0.00 C ATOM 783 O ALA A 53 19.914 3.403 9.709 1.00 0.00 O ATOM 784 CB ALA A 53 18.099 0.784 11.348 1.00 0.00 C ATOM 0 H ALA A 53 20.745 0.876 10.585 1.00 0.00 H new ATOM 0 HA ALA A 53 18.115 1.124 9.240 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.141 1.281 11.502 1.00 0.00 H new ATOM 0 HB2 ALA A 53 17.937 -0.288 11.234 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.744 0.964 12.208 1.00 0.00 H new ATOM 790 N SER A 54 17.966 3.499 10.834 1.00 0.00 N ATOM 791 CA SER A 54 18.002 4.949 11.005 1.00 0.00 C ATOM 792 C SER A 54 19.334 5.400 11.600 1.00 0.00 C ATOM 793 O SER A 54 19.742 6.549 11.428 1.00 0.00 O ATOM 794 CB SER A 54 16.851 5.405 11.903 1.00 0.00 C ATOM 795 OG SER A 54 16.990 6.770 12.258 1.00 0.00 O ATOM 0 H SER A 54 17.147 3.048 11.241 1.00 0.00 H new ATOM 0 HA SER A 54 17.893 5.406 10.021 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.902 5.255 11.388 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.824 4.793 12.804 1.00 0.00 H new ATOM 0 HG SER A 54 16.241 7.037 12.831 1.00 0.00 H new ATOM 801 N GLY A 55 20.008 4.489 12.298 1.00 0.00 N ATOM 802 CA GLY A 55 21.286 4.816 12.903 1.00 0.00 C ATOM 803 C GLY A 55 21.883 3.654 13.671 1.00 0.00 C ATOM 804 O GLY A 55 22.384 3.826 14.781 1.00 0.00 O ATOM 0 H GLY A 55 19.692 3.532 12.455 1.00 0.00 H new ATOM 0 HA2 GLY A 55 21.983 5.128 12.125 1.00 0.00 H new ATOM 0 HA3 GLY A 55 21.159 5.664 13.576 1.00 0.00 H new ATOM 808 N LYS A 56 21.827 2.466 13.078 1.00 0.00 N ATOM 809 CA LYS A 56 22.364 1.268 13.712 1.00 0.00 C ATOM 810 C LYS A 56 22.555 0.146 12.696 1.00 0.00 C ATOM 811 O LYS A 56 21.594 -0.325 12.089 1.00 0.00 O ATOM 812 CB LYS A 56 21.431 0.802 14.830 1.00 0.00 C ATOM 813 CG LYS A 56 22.115 -0.065 15.875 1.00 0.00 C ATOM 814 CD LYS A 56 21.228 -0.271 17.090 1.00 0.00 C ATOM 815 CE LYS A 56 21.112 -1.743 17.452 1.00 0.00 C ATOM 816 NZ LYS A 56 21.256 -1.967 18.917 1.00 0.00 N ATOM 0 H LYS A 56 21.415 2.307 12.159 1.00 0.00 H new ATOM 0 HA LYS A 56 23.338 1.517 14.134 1.00 0.00 H new ATOM 0 HB2 LYS A 56 21.001 1.676 15.320 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.604 0.243 14.392 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.368 -1.032 15.439 1.00 0.00 H new ATOM 0 HG3 LYS A 56 23.051 0.402 16.181 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.635 0.282 17.937 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.236 0.135 16.891 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.146 -2.124 17.120 1.00 0.00 H new ATOM 0 HE3 LYS A 56 21.877 -2.309 16.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 21.171 -2.983 19.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.188 -1.627 19.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 20.510 -1.448 19.423 1.00 0.00 H new ATOM 830 N CYS A 57 23.803 -0.283 12.522 1.00 0.00 N ATOM 831 CA CYS A 57 24.119 -1.354 11.584 1.00 0.00 C ATOM 832 C CYS A 57 23.909 -2.718 12.234 1.00 0.00 C ATOM 833 O CYS A 57 23.960 -2.847 13.457 1.00 0.00 O ATOM 834 CB CYS A 57 25.563 -1.228 11.096 1.00 0.00 C ATOM 835 SG CYS A 57 26.127 0.490 10.871 1.00 0.00 S ATOM 0 H CYS A 57 24.610 0.095 13.018 1.00 0.00 H new ATOM 0 HA CYS A 57 23.448 -1.266 10.730 1.00 0.00 H new ATOM 0 HB2 CYS A 57 26.221 -1.724 11.810 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.662 -1.758 10.149 1.00 0.00 H new ATOM 840 N SER A 58 23.675 -3.734 11.409 1.00 0.00 N ATOM 841 CA SER A 58 23.458 -5.090 11.906 1.00 0.00 C ATOM 842 C SER A 58 23.866 -6.124 10.862 1.00 0.00 C ATOM 843 O SER A 58 23.174 -6.317 9.864 1.00 0.00 O ATOM 844 CB SER A 58 21.991 -5.291 12.286 1.00 0.00 C ATOM 845 OG SER A 58 21.396 -4.073 12.700 1.00 0.00 O ATOM 0 H SER A 58 23.631 -3.645 10.394 1.00 0.00 H new ATOM 0 HA SER A 58 24.078 -5.226 12.792 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.444 -5.694 11.434 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.918 -6.025 13.088 1.00 0.00 H new ATOM 0 HG SER A 58 21.196 -3.523 11.914 1.00 0.00 H new ATOM 851 N LEU A 59 24.992 -6.788 11.098 1.00 0.00 N ATOM 852 CA LEU A 59 25.485 -7.803 10.175 1.00 0.00 C ATOM 853 C LEU A 59 25.015 -9.190 10.599 1.00 0.00 C ATOM 854 O LEU A 59 25.093 -9.552 11.773 1.00 0.00 O ATOM 855 CB LEU A 59 27.015 -7.764 10.093 1.00 0.00 C ATOM 856 CG LEU A 59 27.718 -7.009 11.226 1.00 0.00 C ATOM 857 CD1 LEU A 59 29.137 -7.525 11.404 1.00 0.00 C ATOM 858 CD2 LEU A 59 27.725 -5.513 10.951 1.00 0.00 C ATOM 0 H LEU A 59 25.579 -6.642 11.919 1.00 0.00 H new ATOM 0 HA LEU A 59 25.080 -7.586 9.187 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.387 -8.789 10.077 1.00 0.00 H new ATOM 0 HB3 LEU A 59 27.299 -7.307 9.145 1.00 0.00 H new ATOM 0 HG LEU A 59 27.167 -7.183 12.150 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.624 -6.979 12.212 1.00 0.00 H new ATOM 0 HD12 LEU A 59 29.110 -8.587 11.648 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.696 -7.379 10.480 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.229 -4.995 11.767 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.252 -5.317 10.017 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.699 -5.153 10.871 1.00 0.00 H new ATOM 870 N PHE A 60 24.514 -9.958 9.636 1.00 0.00 N ATOM 871 CA PHE A 60 24.019 -11.303 9.910 1.00 0.00 C ATOM 872 C PHE A 60 24.788 -12.345 9.104 1.00 0.00 C ATOM 873 O PHE A 60 25.141 -12.115 7.948 1.00 0.00 O ATOM 874 CB PHE A 60 22.525 -11.386 9.588 1.00 0.00 C ATOM 875 CG PHE A 60 21.715 -10.304 10.243 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.530 -9.082 9.614 1.00 0.00 C ATOM 877 CD2 PHE A 60 21.147 -10.504 11.490 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.794 -8.082 10.218 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.408 -9.507 12.098 1.00 0.00 C ATOM 880 CZ PHE A 60 20.232 -8.293 11.461 1.00 0.00 C ATOM 0 H PHE A 60 24.440 -9.672 8.660 1.00 0.00 H new ATOM 0 HA PHE A 60 24.171 -11.514 10.969 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.389 -11.328 8.508 1.00 0.00 H new ATOM 0 HB3 PHE A 60 22.145 -12.357 9.906 1.00 0.00 H new ATOM 0 HD1 PHE A 60 21.966 -8.911 8.641 1.00 0.00 H new ATOM 0 HD2 PHE A 60 21.283 -11.450 11.993 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.658 -7.135 9.718 1.00 0.00 H new ATOM 0 HE2 PHE A 60 19.968 -9.676 13.070 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.656 -7.512 11.935 1.00 0.00 H new ATOM 890 N ALA A 61 25.047 -13.492 9.727 1.00 0.00 N ATOM 891 CA ALA A 61 25.776 -14.571 9.070 1.00 0.00 C ATOM 892 C ALA A 61 24.820 -15.611 8.496 1.00 0.00 C ATOM 893 O ALA A 61 25.072 -16.182 7.435 1.00 0.00 O ATOM 894 CB ALA A 61 26.744 -15.223 10.046 1.00 0.00 C ATOM 0 H ALA A 61 24.763 -13.697 10.685 1.00 0.00 H new ATOM 0 HA ALA A 61 26.343 -14.143 8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.282 -16.027 9.543 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.456 -14.479 10.404 1.00 0.00 H new ATOM 0 HB3 ALA A 61 26.189 -15.631 10.891 1.00 0.00 H new ATOM 900 N ASP A 62 23.723 -15.851 9.205 1.00 0.00 N ATOM 901 CA ASP A 62 22.726 -16.822 8.766 1.00 0.00 C ATOM 902 C ASP A 62 21.345 -16.182 8.672 1.00 0.00 C ATOM 903 O ASP A 62 21.175 -15.002 8.981 1.00 0.00 O ATOM 904 CB ASP A 62 22.686 -18.011 9.728 1.00 0.00 C ATOM 905 CG ASP A 62 23.119 -19.306 9.067 1.00 0.00 C ATOM 906 OD1 ASP A 62 22.334 -19.854 8.266 1.00 0.00 O ATOM 907 OD2 ASP A 62 24.242 -19.771 9.352 1.00 0.00 O ATOM 0 H ASP A 62 23.501 -15.387 10.086 1.00 0.00 H new ATOM 0 HA ASP A 62 23.010 -17.174 7.774 1.00 0.00 H new ATOM 0 HB2 ASP A 62 23.334 -17.807 10.580 1.00 0.00 H new ATOM 0 HB3 ASP A 62 21.674 -18.126 10.117 1.00 0.00 H new ATOM 912 N ASP A 63 20.362 -16.966 8.242 1.00 0.00 N ATOM 913 CA ASP A 63 18.996 -16.475 8.106 1.00 0.00 C ATOM 914 C ASP A 63 18.001 -17.458 8.717 1.00 0.00 C ATOM 915 O ASP A 63 17.963 -18.631 8.343 1.00 0.00 O ATOM 916 CB ASP A 63 18.659 -16.240 6.633 1.00 0.00 C ATOM 917 CG ASP A 63 18.049 -14.873 6.392 1.00 0.00 C ATOM 918 OD1 ASP A 63 16.958 -14.605 6.936 1.00 0.00 O ATOM 919 OD2 ASP A 63 18.664 -14.070 5.657 1.00 0.00 O ATOM 0 H ASP A 63 20.486 -17.944 7.982 1.00 0.00 H new ATOM 0 HA ASP A 63 18.922 -15.529 8.643 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.565 -16.342 6.035 1.00 0.00 H new ATOM 0 HB3 ASP A 63 17.965 -17.010 6.294 1.00 0.00 H new ATOM 924 N ALA A 64 17.196 -16.970 9.655 1.00 0.00 N ATOM 925 CA ALA A 64 16.199 -17.802 10.318 1.00 0.00 C ATOM 926 C ALA A 64 14.937 -17.004 10.624 1.00 0.00 C ATOM 927 O ALA A 64 13.948 -17.082 9.893 1.00 0.00 O ATOM 928 CB ALA A 64 16.773 -18.398 11.594 1.00 0.00 C ATOM 0 H ALA A 64 17.215 -16.001 9.973 1.00 0.00 H new ATOM 0 HA ALA A 64 15.930 -18.613 9.642 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.018 -19.017 12.078 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.642 -19.010 11.351 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.071 -17.595 12.268 1.00 0.00 H new ATOM 934 N ALA A 65 14.980 -16.236 11.706 1.00 0.00 N ATOM 935 CA ALA A 65 13.841 -15.419 12.111 1.00 0.00 C ATOM 936 C ALA A 65 13.992 -13.986 11.613 1.00 0.00 C ATOM 937 O ALA A 65 13.226 -13.102 11.994 1.00 0.00 O ATOM 938 CB ALA A 65 13.689 -15.441 13.624 1.00 0.00 C ATOM 0 H ALA A 65 15.791 -16.161 12.319 1.00 0.00 H new ATOM 0 HA ALA A 65 12.942 -15.840 11.661 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.836 -14.828 13.913 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.529 -16.466 13.959 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.593 -15.045 14.086 1.00 0.00 H new ATOM 944 N LEU A 66 14.988 -13.764 10.759 1.00 0.00 N ATOM 945 CA LEU A 66 15.243 -12.439 10.206 1.00 0.00 C ATOM 946 C LEU A 66 14.039 -11.935 9.417 1.00 0.00 C ATOM 947 O LEU A 66 13.704 -12.474 8.362 1.00 0.00 O ATOM 948 CB LEU A 66 16.479 -12.473 9.306 1.00 0.00 C ATOM 949 CG LEU A 66 17.768 -11.974 9.962 1.00 0.00 C ATOM 950 CD1 LEU A 66 18.792 -13.093 10.046 1.00 0.00 C ATOM 951 CD2 LEU A 66 18.332 -10.787 9.195 1.00 0.00 C ATOM 0 H LEU A 66 15.632 -14.486 10.435 1.00 0.00 H new ATOM 0 HA LEU A 66 15.421 -11.754 11.035 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.635 -13.497 8.966 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.282 -11.869 8.420 1.00 0.00 H new ATOM 0 HG LEU A 66 17.534 -11.648 10.975 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.702 -12.719 10.515 1.00 0.00 H new ATOM 0 HD12 LEU A 66 18.388 -13.912 10.640 1.00 0.00 H new ATOM 0 HD13 LEU A 66 19.022 -13.452 9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.249 -10.445 9.676 1.00 0.00 H new ATOM 0 HD22 LEU A 66 18.550 -11.087 8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.602 -9.978 9.189 1.00 0.00 H new ATOM 963 N ARG A 67 13.392 -10.895 9.937 1.00 0.00 N ATOM 964 CA ARG A 67 12.225 -10.314 9.283 1.00 0.00 C ATOM 965 C ARG A 67 12.233 -8.792 9.411 1.00 0.00 C ATOM 966 O ARG A 67 12.925 -8.237 10.263 1.00 0.00 O ATOM 967 CB ARG A 67 10.941 -10.877 9.891 1.00 0.00 C ATOM 968 CG ARG A 67 10.577 -12.262 9.378 1.00 0.00 C ATOM 969 CD ARG A 67 9.229 -12.259 8.676 1.00 0.00 C ATOM 970 NE ARG A 67 8.497 -13.505 8.890 1.00 0.00 N ATOM 971 CZ ARG A 67 7.348 -13.581 9.555 1.00 0.00 C ATOM 972 NH1 ARG A 67 6.800 -12.488 10.068 1.00 0.00 N ATOM 973 NH2 ARG A 67 6.744 -14.753 9.705 1.00 0.00 N ATOM 0 H ARG A 67 13.657 -10.438 10.810 1.00 0.00 H new ATOM 0 HA ARG A 67 12.265 -10.575 8.225 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.050 -10.918 10.975 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.119 -10.193 9.679 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.347 -12.610 8.689 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.553 -12.965 10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.633 -11.422 9.039 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.377 -12.105 7.607 1.00 0.00 H new ATOM 0 HE ARG A 67 8.889 -14.365 8.508 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.260 -11.585 9.953 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.919 -12.550 10.577 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.161 -15.596 9.310 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.863 -14.811 10.215 1.00 0.00 H new ATOM 987 N PRO A 68 11.456 -8.094 8.565 1.00 0.00 N ATOM 988 CA PRO A 68 11.376 -6.631 8.594 1.00 0.00 C ATOM 989 C PRO A 68 10.599 -6.122 9.803 1.00 0.00 C ATOM 990 O PRO A 68 10.165 -6.906 10.647 1.00 0.00 O ATOM 991 CB PRO A 68 10.634 -6.296 7.300 1.00 0.00 C ATOM 992 CG PRO A 68 9.797 -7.497 7.026 1.00 0.00 C ATOM 993 CD PRO A 68 10.592 -8.675 7.519 1.00 0.00 C ATOM 0 HA PRO A 68 12.359 -6.166 8.671 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.020 -5.403 7.415 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.329 -6.102 6.483 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.838 -7.430 7.540 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.582 -7.589 5.961 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.946 -9.456 7.920 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.179 -9.127 6.719 1.00 0.00 H new ATOM 1001 N THR A 69 10.424 -4.806 9.882 1.00 0.00 N ATOM 1002 CA THR A 69 9.697 -4.199 10.991 1.00 0.00 C ATOM 1003 C THR A 69 9.244 -2.785 10.649 1.00 0.00 C ATOM 1004 O THR A 69 8.054 -2.474 10.703 1.00 0.00 O ATOM 1005 CB THR A 69 10.552 -4.157 12.273 1.00 0.00 C ATOM 1006 OG1 THR A 69 10.056 -3.149 13.161 1.00 0.00 O ATOM 1007 CG2 THR A 69 12.011 -3.876 11.945 1.00 0.00 C ATOM 0 H THR A 69 10.775 -4.141 9.193 1.00 0.00 H new ATOM 0 HA THR A 69 8.821 -4.823 11.169 1.00 0.00 H new ATOM 0 HB THR A 69 10.487 -5.132 12.756 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.604 -3.130 13.973 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.593 -3.851 12.866 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.395 -4.661 11.294 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.091 -2.914 11.439 1.00 0.00 H new ATOM 1015 N LYS A 70 10.200 -1.933 10.301 1.00 0.00 N ATOM 1016 CA LYS A 70 9.901 -0.549 9.952 1.00 0.00 C ATOM 1017 C LYS A 70 10.875 -0.029 8.900 1.00 0.00 C ATOM 1018 O LYS A 70 12.060 -0.363 8.917 1.00 0.00 O ATOM 1019 CB LYS A 70 9.961 0.336 11.199 1.00 0.00 C ATOM 1020 CG LYS A 70 8.801 1.312 11.308 1.00 0.00 C ATOM 1021 CD LYS A 70 9.251 2.651 11.871 1.00 0.00 C ATOM 1022 CE LYS A 70 8.349 3.110 13.005 1.00 0.00 C ATOM 1023 NZ LYS A 70 8.884 4.323 13.683 1.00 0.00 N ATOM 0 H LYS A 70 11.190 -2.176 10.253 1.00 0.00 H new ATOM 0 HA LYS A 70 8.894 -0.515 9.536 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.975 -0.299 12.085 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.896 0.895 11.193 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.356 1.461 10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.027 0.889 11.948 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.277 2.569 12.231 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.250 3.399 11.078 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.354 3.322 12.614 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.242 2.305 13.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.240 4.604 14.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.823 4.114 14.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.963 5.099 12.995 1.00 0.00 H new ATOM 1037 N SER A 71 10.366 0.790 7.985 1.00 0.00 N ATOM 1038 CA SER A 71 11.189 1.359 6.924 1.00 0.00 C ATOM 1039 C SER A 71 11.826 2.672 7.373 1.00 0.00 C ATOM 1040 O SER A 71 12.950 2.685 7.875 1.00 0.00 O ATOM 1041 CB SER A 71 10.351 1.585 5.664 1.00 0.00 C ATOM 1042 OG SER A 71 8.965 1.510 5.953 1.00 0.00 O ATOM 0 H SER A 71 9.387 1.075 7.957 1.00 0.00 H new ATOM 0 HA SER A 71 11.986 0.651 6.697 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.585 2.561 5.238 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.610 0.839 4.913 1.00 0.00 H new ATOM 0 HG SER A 71 8.712 2.254 6.539 1.00 0.00 H new ATOM 1048 N ASP A 72 11.096 3.770 7.191 1.00 0.00 N ATOM 1049 CA ASP A 72 11.581 5.092 7.576 1.00 0.00 C ATOM 1050 C ASP A 72 12.909 5.413 6.890 1.00 0.00 C ATOM 1051 O ASP A 72 12.930 5.951 5.784 1.00 0.00 O ATOM 1052 CB ASP A 72 11.737 5.178 9.096 1.00 0.00 C ATOM 1053 CG ASP A 72 12.277 6.521 9.548 1.00 0.00 C ATOM 1054 OD1 ASP A 72 11.553 7.530 9.409 1.00 0.00 O ATOM 1055 OD2 ASP A 72 13.423 6.565 10.042 1.00 0.00 O ATOM 0 H ASP A 72 10.163 3.769 6.778 1.00 0.00 H new ATOM 0 HA ASP A 72 10.846 5.829 7.253 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.771 5.001 9.568 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.407 4.388 9.435 1.00 0.00 H new ATOM 1060 N GLY A 73 14.013 5.079 7.554 1.00 0.00 N ATOM 1061 CA GLY A 73 15.326 5.340 6.991 1.00 0.00 C ATOM 1062 C GLY A 73 16.256 4.150 7.115 1.00 0.00 C ATOM 1063 O GLY A 73 17.461 4.313 7.306 1.00 0.00 O ATOM 0 H GLY A 73 14.021 4.633 8.471 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.221 5.607 5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.770 6.198 7.495 1.00 0.00 H new ATOM 1067 N ALA A 74 15.694 2.952 7.005 1.00 0.00 N ATOM 1068 CA ALA A 74 16.477 1.726 7.105 1.00 0.00 C ATOM 1069 C ALA A 74 16.797 1.164 5.724 1.00 0.00 C ATOM 1070 O ALA A 74 16.214 1.582 4.723 1.00 0.00 O ATOM 1071 CB ALA A 74 15.734 0.693 7.937 1.00 0.00 C ATOM 0 H ALA A 74 14.697 2.803 6.846 1.00 0.00 H new ATOM 0 HA ALA A 74 17.419 1.965 7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.330 -0.217 8.004 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.562 1.088 8.938 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.777 0.467 7.467 1.00 0.00 H new ATOM 1077 N VAL A 75 17.725 0.213 5.679 1.00 0.00 N ATOM 1078 CA VAL A 75 18.124 -0.410 4.423 1.00 0.00 C ATOM 1079 C VAL A 75 19.012 -1.626 4.673 1.00 0.00 C ATOM 1080 O VAL A 75 19.840 -1.625 5.583 1.00 0.00 O ATOM 1081 CB VAL A 75 18.870 0.586 3.514 1.00 0.00 C ATOM 1082 CG1 VAL A 75 20.141 1.081 4.188 1.00 0.00 C ATOM 1083 CG2 VAL A 75 19.181 -0.048 2.167 1.00 0.00 C ATOM 0 H VAL A 75 18.215 -0.143 6.500 1.00 0.00 H new ATOM 0 HA VAL A 75 17.211 -0.729 3.921 1.00 0.00 H new ATOM 0 HB VAL A 75 18.222 1.446 3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.652 1.783 3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 75 19.886 1.580 5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 75 20.796 0.235 4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 75 19.708 0.671 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 75 19.807 -0.928 2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 75 18.251 -0.342 1.680 1.00 0.00 H new ATOM 1093 N SER A 76 18.834 -2.662 3.856 1.00 0.00 N ATOM 1094 CA SER A 76 19.621 -3.883 3.990 1.00 0.00 C ATOM 1095 C SER A 76 20.484 -4.111 2.753 1.00 0.00 C ATOM 1096 O SER A 76 20.361 -3.398 1.758 1.00 0.00 O ATOM 1097 CB SER A 76 18.703 -5.086 4.215 1.00 0.00 C ATOM 1098 OG SER A 76 17.908 -5.343 3.071 1.00 0.00 O ATOM 0 H SER A 76 18.153 -2.679 3.097 1.00 0.00 H new ATOM 0 HA SER A 76 20.277 -3.770 4.853 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.302 -5.966 4.450 1.00 0.00 H new ATOM 0 HB3 SER A 76 18.059 -4.900 5.075 1.00 0.00 H new ATOM 0 HG SER A 76 17.962 -4.581 2.457 1.00 0.00 H new ATOM 1104 N GLY A 77 21.358 -5.110 2.825 1.00 0.00 N ATOM 1105 CA GLY A 77 22.230 -5.415 1.705 1.00 0.00 C ATOM 1106 C GLY A 77 22.733 -6.845 1.731 1.00 0.00 C ATOM 1107 O GLY A 77 23.646 -7.174 2.488 1.00 0.00 O ATOM 0 H GLY A 77 21.478 -5.714 3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.693 -5.239 0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 77 23.081 -4.734 1.716 1.00 0.00 H new ATOM 1111 N ASN A 78 22.138 -7.695 0.900 1.00 0.00 N ATOM 1112 CA ASN A 78 22.531 -9.097 0.828 1.00 0.00 C ATOM 1113 C ASN A 78 22.711 -9.536 -0.622 1.00 0.00 C ATOM 1114 O ASN A 78 22.475 -8.759 -1.548 1.00 0.00 O ATOM 1115 CB ASN A 78 21.485 -9.979 1.514 1.00 0.00 C ATOM 1116 CG ASN A 78 20.068 -9.602 1.131 1.00 0.00 C ATOM 1117 OD1 ASN A 78 19.527 -8.606 1.610 1.00 0.00 O ATOM 1118 ND2 ASN A 78 19.458 -10.400 0.261 1.00 0.00 N ATOM 0 H ASN A 78 21.381 -7.437 0.267 1.00 0.00 H new ATOM 0 HA ASN A 78 23.484 -9.209 1.345 1.00 0.00 H new ATOM 0 HB2 ASN A 78 21.664 -11.021 1.251 1.00 0.00 H new ATOM 0 HB3 ASN A 78 21.599 -9.899 2.595 1.00 0.00 H new ATOM 0 HD21 ASN A 78 18.503 -10.197 -0.035 1.00 0.00 H new ATOM 0 HD22 ASN A 78 19.945 -11.216 -0.111 1.00 0.00 H new ATOM 1125 N LYS A 79 23.133 -10.784 -0.809 1.00 0.00 N ATOM 1126 CA LYS A 79 23.350 -11.333 -2.145 1.00 0.00 C ATOM 1127 C LYS A 79 24.406 -10.533 -2.900 1.00 0.00 C ATOM 1128 O LYS A 79 24.116 -9.479 -3.466 1.00 0.00 O ATOM 1129 CB LYS A 79 22.040 -11.349 -2.935 1.00 0.00 C ATOM 1130 CG LYS A 79 22.043 -12.327 -4.098 1.00 0.00 C ATOM 1131 CD LYS A 79 20.865 -13.285 -4.025 1.00 0.00 C ATOM 1132 CE LYS A 79 21.315 -14.732 -4.156 1.00 0.00 C ATOM 1133 NZ LYS A 79 20.178 -15.642 -4.464 1.00 0.00 N ATOM 0 H LYS A 79 23.332 -11.436 -0.050 1.00 0.00 H new ATOM 0 HA LYS A 79 23.709 -12.356 -2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 79 21.222 -11.602 -2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 79 21.842 -10.347 -3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 79 22.007 -11.776 -5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 79 22.974 -12.893 -4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 79 20.343 -13.150 -3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 79 20.154 -13.051 -4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 79 22.065 -14.809 -4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 79 21.793 -15.049 -3.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.527 -16.618 -4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.474 -15.588 -3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.738 -15.356 -5.362 1.00 0.00 H new ATOM 1147 N ARG A 80 25.633 -11.043 -2.904 1.00 0.00 N ATOM 1148 CA ARG A 80 26.737 -10.380 -3.589 1.00 0.00 C ATOM 1149 C ARG A 80 26.478 -10.294 -5.090 1.00 0.00 C ATOM 1150 O ARG A 80 27.096 -9.492 -5.789 1.00 0.00 O ATOM 1151 CB ARG A 80 28.047 -11.127 -3.329 1.00 0.00 C ATOM 1152 CG ARG A 80 29.186 -10.223 -2.886 1.00 0.00 C ATOM 1153 CD ARG A 80 30.321 -11.020 -2.265 1.00 0.00 C ATOM 1154 NE ARG A 80 31.452 -10.171 -1.902 1.00 0.00 N ATOM 1155 CZ ARG A 80 32.718 -10.470 -2.178 1.00 0.00 C ATOM 1156 NH1 ARG A 80 33.013 -11.594 -2.819 1.00 0.00 N ATOM 1157 NH2 ARG A 80 33.690 -9.645 -1.814 1.00 0.00 N ATOM 0 H ARG A 80 25.888 -11.915 -2.440 1.00 0.00 H new ATOM 0 HA ARG A 80 26.818 -9.367 -3.195 1.00 0.00 H new ATOM 0 HB2 ARG A 80 27.878 -11.885 -2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 80 28.343 -11.651 -4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 80 29.560 -9.662 -3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 80 28.814 -9.495 -2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 80 29.957 -11.538 -1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 80 30.653 -11.785 -2.967 1.00 0.00 H new ATOM 0 HE ARG A 80 31.260 -9.299 -1.409 1.00 0.00 H new ATOM 0 HH11 ARG A 80 32.268 -12.231 -3.101 1.00 0.00 H new ATOM 0 HH12 ARG A 80 33.985 -11.821 -3.030 1.00 0.00 H new ATOM 0 HH21 ARG A 80 33.467 -8.780 -1.322 1.00 0.00 H new ATOM 0 HH22 ARG A 80 34.661 -9.875 -2.026 1.00 0.00 H new ATOM 1171 N CYS A 81 25.560 -11.126 -5.576 1.00 0.00 N ATOM 1172 CA CYS A 81 25.216 -11.146 -6.994 1.00 0.00 C ATOM 1173 C CYS A 81 26.455 -11.384 -7.853 1.00 0.00 C ATOM 1174 O CYS A 81 26.915 -10.487 -8.560 1.00 0.00 O ATOM 1175 CB CYS A 81 24.543 -9.833 -7.398 1.00 0.00 C ATOM 1176 SG CYS A 81 23.095 -9.394 -6.383 1.00 0.00 S ATOM 0 H CYS A 81 25.041 -11.795 -5.008 1.00 0.00 H new ATOM 0 HA CYS A 81 24.519 -11.967 -7.160 1.00 0.00 H new ATOM 0 HB2 CYS A 81 25.275 -9.028 -7.335 1.00 0.00 H new ATOM 0 HB3 CYS A 81 24.234 -9.902 -8.441 1.00 0.00 H new ATOM 1181 N ILE A 82 26.990 -12.598 -7.786 1.00 0.00 N ATOM 1182 CA ILE A 82 28.175 -12.956 -8.555 1.00 0.00 C ATOM 1183 C ILE A 82 28.108 -14.407 -9.024 1.00 0.00 C ATOM 1184 O ILE A 82 27.626 -15.281 -8.304 1.00 0.00 O ATOM 1185 CB ILE A 82 29.464 -12.747 -7.733 1.00 0.00 C ATOM 1186 CG1 ILE A 82 30.698 -13.060 -8.581 1.00 0.00 C ATOM 1187 CG2 ILE A 82 29.441 -13.610 -6.480 1.00 0.00 C ATOM 1188 CD1 ILE A 82 31.291 -11.844 -9.258 1.00 0.00 C ATOM 0 H ILE A 82 26.621 -13.351 -7.206 1.00 0.00 H new ATOM 0 HA ILE A 82 28.200 -12.299 -9.424 1.00 0.00 H new ATOM 0 HB ILE A 82 29.514 -11.701 -7.429 1.00 0.00 H new ATOM 0 HG12 ILE A 82 31.457 -13.519 -7.948 1.00 0.00 H new ATOM 0 HG13 ILE A 82 30.430 -13.794 -9.341 1.00 0.00 H new ATOM 0 HG21 ILE A 82 30.357 -13.451 -5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 82 28.582 -13.338 -5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 82 29.367 -14.660 -6.763 1.00 0.00 H new ATOM 0 HD11 ILE A 82 32.162 -12.141 -9.842 1.00 0.00 H new ATOM 0 HD12 ILE A 82 30.548 -11.396 -9.918 1.00 0.00 H new ATOM 0 HD13 ILE A 82 31.591 -11.117 -8.503 1.00 0.00 H new ATOM 1200 N LEU A 83 28.595 -14.655 -10.236 1.00 0.00 N ATOM 1201 CA LEU A 83 28.590 -16.000 -10.803 1.00 0.00 C ATOM 1202 C LEU A 83 29.678 -16.149 -11.860 1.00 0.00 C ATOM 1203 O LEU A 83 30.285 -17.212 -11.993 1.00 0.00 O ATOM 1204 CB LEU A 83 27.223 -16.313 -11.413 1.00 0.00 C ATOM 1205 CG LEU A 83 27.004 -17.779 -11.794 1.00 0.00 C ATOM 1206 CD1 LEU A 83 26.534 -18.578 -10.589 1.00 0.00 C ATOM 1207 CD2 LEU A 83 26.004 -17.889 -12.935 1.00 0.00 C ATOM 0 H LEU A 83 28.998 -13.943 -10.845 1.00 0.00 H new ATOM 0 HA LEU A 83 28.792 -16.707 -9.999 1.00 0.00 H new ATOM 0 HB2 LEU A 83 26.450 -16.018 -10.704 1.00 0.00 H new ATOM 0 HB3 LEU A 83 27.090 -15.698 -12.303 1.00 0.00 H new ATOM 0 HG LEU A 83 27.954 -18.194 -12.130 1.00 0.00 H new ATOM 0 HD11 LEU A 83 26.383 -19.618 -10.878 1.00 0.00 H new ATOM 0 HD12 LEU A 83 27.286 -18.526 -9.802 1.00 0.00 H new ATOM 0 HD13 LEU A 83 25.595 -18.164 -10.222 1.00 0.00 H new ATOM 0 HD21 LEU A 83 25.860 -18.938 -13.193 1.00 0.00 H new ATOM 0 HD22 LEU A 83 25.052 -17.457 -12.627 1.00 0.00 H new ATOM 0 HD23 LEU A 83 26.383 -17.350 -13.804 1.00 0.00 H new ATOM 1219 N LEU A 84 29.918 -15.074 -12.608 1.00 0.00 N ATOM 1220 CA LEU A 84 30.933 -15.075 -13.658 1.00 0.00 C ATOM 1221 C LEU A 84 30.646 -16.157 -14.697 1.00 0.00 C ATOM 1222 O LEU A 84 29.937 -15.916 -15.676 1.00 0.00 O ATOM 1223 CB LEU A 84 32.325 -15.279 -13.055 1.00 0.00 C ATOM 1224 CG LEU A 84 32.962 -14.023 -12.457 1.00 0.00 C ATOM 1225 CD1 LEU A 84 33.891 -14.391 -11.310 1.00 0.00 C ATOM 1226 CD2 LEU A 84 33.712 -13.245 -13.527 1.00 0.00 C ATOM 0 H LEU A 84 29.421 -14.189 -12.505 1.00 0.00 H new ATOM 0 HA LEU A 84 30.902 -14.106 -14.156 1.00 0.00 H new ATOM 0 HB2 LEU A 84 32.259 -16.040 -12.277 1.00 0.00 H new ATOM 0 HB3 LEU A 84 32.986 -15.670 -13.829 1.00 0.00 H new ATOM 0 HG LEU A 84 32.169 -13.387 -12.064 1.00 0.00 H new ATOM 0 HD11 LEU A 84 34.335 -13.485 -10.897 1.00 0.00 H new ATOM 0 HD12 LEU A 84 33.324 -14.904 -10.533 1.00 0.00 H new ATOM 0 HD13 LEU A 84 34.680 -15.047 -11.677 1.00 0.00 H new ATOM 0 HD21 LEU A 84 34.159 -12.355 -13.084 1.00 0.00 H new ATOM 0 HD22 LEU A 84 34.496 -13.872 -13.950 1.00 0.00 H new ATOM 0 HD23 LEU A 84 33.019 -12.949 -14.315 1.00 0.00 H new ATOM 1238 N GLU A 85 31.199 -17.347 -14.481 1.00 0.00 N ATOM 1239 CA GLU A 85 31.000 -18.461 -15.401 1.00 0.00 C ATOM 1240 C GLU A 85 30.987 -19.790 -14.651 1.00 0.00 C ATOM 1241 O GLU A 85 31.669 -19.949 -13.639 1.00 0.00 O ATOM 1242 CB GLU A 85 32.099 -18.474 -16.466 1.00 0.00 C ATOM 1243 CG GLU A 85 31.571 -18.626 -17.884 1.00 0.00 C ATOM 1244 CD GLU A 85 31.012 -17.331 -18.439 1.00 0.00 C ATOM 1245 OE1 GLU A 85 31.738 -16.315 -18.421 1.00 0.00 O ATOM 1246 OE2 GLU A 85 29.848 -17.332 -18.892 1.00 0.00 O ATOM 0 H GLU A 85 31.788 -17.564 -13.677 1.00 0.00 H new ATOM 0 HA GLU A 85 30.034 -18.329 -15.888 1.00 0.00 H new ATOM 0 HB2 GLU A 85 32.671 -17.549 -16.397 1.00 0.00 H new ATOM 0 HB3 GLU A 85 32.789 -19.291 -16.254 1.00 0.00 H new ATOM 0 HG2 GLU A 85 32.374 -18.978 -18.531 1.00 0.00 H new ATOM 0 HG3 GLU A 85 30.793 -19.389 -17.898 1.00 0.00 H new ATOM 1253 N ASP A 86 30.207 -20.740 -15.156 1.00 0.00 N ATOM 1254 CA ASP A 86 30.104 -22.055 -14.535 1.00 0.00 C ATOM 1255 C ASP A 86 30.280 -23.162 -15.570 1.00 0.00 C ATOM 1256 O ASP A 86 30.410 -22.834 -16.768 1.00 0.00 O ATOM 1257 CB ASP A 86 28.753 -22.208 -13.834 1.00 0.00 C ATOM 1258 CG ASP A 86 28.820 -23.146 -12.646 1.00 0.00 C ATOM 1259 OD1 ASP A 86 29.193 -22.686 -11.546 1.00 0.00 O ATOM 1260 OD2 ASP A 86 28.500 -24.341 -12.814 1.00 0.00 O ATOM 1261 OXT ASP A 86 30.290 -24.346 -15.174 1.00 0.00 O ATOM 0 H ASP A 86 29.637 -20.624 -15.994 1.00 0.00 H new ATOM 0 HA ASP A 86 30.901 -22.142 -13.796 1.00 0.00 H new ATOM 0 HB2 ASP A 86 28.407 -21.229 -13.501 1.00 0.00 H new ATOM 0 HB3 ASP A 86 28.017 -22.581 -14.547 1.00 0.00 H new TER 1266 ASP A 86