USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 712 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 41 HIS : no HD1:sc= -5.37! K(o=-5.5!,f=-2) USER MOD Set 1.2: A 45 TYR OH : rot 180:sc= -0.153 USER MOD Single : A 5 THR OG1 : rot 25:sc= 0.557 USER MOD Single : A 7 GLN : amide:sc= -0.962 X(o=-0.96,f=-0.5) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 70:sc= 0.119 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -58:sc= 0.601 USER MOD Single : A 21 LYS NZ :NH3+ 145:sc= -0.424 (180deg=-1.5!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.592 K(o=-0.59,f=-2.9!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -6.39 K(o=-6.4,f=-9.6!) USER MOD Single : A 34 HIS : no HD1:sc= -0.0626 X(o=-0.063,f=-0.38) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -135:sc= -0.313 (180deg=-1.25) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 35:sc= 0.395 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -24:sc= 0.882 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 53:sc= 0.926 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.972 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : B 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 119 SER OG : rot 180:sc= 0 USER MOD Single : B 127 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -9.568 -7.385 8.255 1.00 34.20 N ATOM 2 CA THR A 5 -8.472 -6.525 7.826 1.00 63.40 C ATOM 3 C THR A 5 -7.769 -7.109 6.605 1.00 32.00 C ATOM 4 O THR A 5 -7.575 -6.424 5.601 1.00 2.32 O ATOM 5 CB THR A 5 -7.468 -6.336 8.964 1.00 63.40 C ATOM 6 OG1 THR A 5 -8.124 -6.359 10.220 1.00 73.40 O ATOM 7 CG2 THR A 5 -6.698 -5.036 8.873 1.00 4.44 C ATOM 0 HA THR A 5 -8.889 -5.555 7.554 1.00 63.40 H new ATOM 0 HB THR A 5 -6.765 -7.164 8.870 1.00 63.40 H new ATOM 0 HG1 THR A 5 -8.963 -6.859 10.142 1.00 73.40 H new ATOM 0 HG21 THR A 5 -6.004 -4.965 9.710 1.00 4.44 H new ATOM 0 HG22 THR A 5 -6.141 -5.008 7.936 1.00 4.44 H new ATOM 0 HG23 THR A 5 -7.394 -4.198 8.907 1.00 4.44 H new ATOM 15 N LEU A 6 -7.389 -8.379 6.698 1.00 60.10 N ATOM 16 CA LEU A 6 -6.707 -9.056 5.601 1.00 11.40 C ATOM 17 C LEU A 6 -7.580 -9.078 4.350 1.00 23.20 C ATOM 18 O LEU A 6 -7.123 -8.743 3.257 1.00 23.40 O ATOM 19 CB LEU A 6 -6.338 -10.480 6.006 1.00 63.10 C ATOM 20 CG LEU A 6 -5.002 -10.980 5.459 1.00 23.40 C ATOM 21 CD1 LEU A 6 -4.332 -11.910 6.458 1.00 11.10 C ATOM 22 CD2 LEU A 6 -5.204 -11.690 4.125 1.00 21.30 C ATOM 0 H LEU A 6 -7.542 -8.960 7.522 1.00 60.10 H new ATOM 0 HA LEU A 6 -5.795 -8.503 5.375 1.00 11.40 H new ATOM 0 HB2 LEU A 6 -6.313 -10.537 7.094 1.00 63.10 H new ATOM 0 HB3 LEU A 6 -7.126 -11.153 5.670 1.00 63.10 H new ATOM 0 HG LEU A 6 -4.352 -10.120 5.298 1.00 23.40 H new ATOM 0 HD11 LEU A 6 -3.382 -12.257 6.052 1.00 11.10 H new ATOM 0 HD12 LEU A 6 -4.154 -11.375 7.391 1.00 11.10 H new ATOM 0 HD13 LEU A 6 -4.979 -12.766 6.649 1.00 11.10 H new ATOM 0 HD21 LEU A 6 -4.242 -12.040 3.750 1.00 21.30 H new ATOM 0 HD22 LEU A 6 -5.871 -12.541 4.263 1.00 21.30 H new ATOM 0 HD23 LEU A 6 -5.644 -10.997 3.407 1.00 21.30 H new ATOM 34 N GLN A 7 -8.838 -9.473 4.519 1.00 44.00 N ATOM 35 CA GLN A 7 -9.775 -9.537 3.403 1.00 15.30 C ATOM 36 C GLN A 7 -9.917 -8.173 2.736 1.00 43.20 C ATOM 37 O GLN A 7 -10.030 -8.077 1.514 1.00 44.50 O ATOM 38 CB GLN A 7 -11.140 -10.020 3.884 1.00 3.13 C ATOM 39 CG GLN A 7 -11.970 -10.670 2.789 1.00 15.00 C ATOM 40 CD GLN A 7 -11.260 -11.820 2.115 1.00 21.30 C ATOM 41 OE1 GLN A 7 -11.350 -12.970 2.561 1.00 50.20 O ATOM 42 NE2 GLN A 7 -10.550 -11.530 1.034 1.00 34.40 N ATOM 0 H GLN A 7 -9.232 -9.753 5.417 1.00 44.00 H new ATOM 0 HA GLN A 7 -9.382 -10.244 2.672 1.00 15.30 H new ATOM 0 HB2 GLN A 7 -10.999 -10.734 4.695 1.00 3.13 H new ATOM 0 HB3 GLN A 7 -11.692 -9.175 4.295 1.00 3.13 H new ATOM 0 HG2 GLN A 7 -12.907 -11.028 3.215 1.00 15.00 H new ATOM 0 HG3 GLN A 7 -12.226 -9.920 2.041 1.00 15.00 H new ATOM 0 HE21 GLN A 7 -10.502 -10.568 0.699 1.00 34.40 H new ATOM 0 HE22 GLN A 7 -10.052 -12.269 0.537 1.00 34.40 H new ATOM 51 N LYS A 8 -9.905 -7.121 3.547 1.00 34.30 N ATOM 52 CA LYS A 8 -10.020 -5.761 3.037 1.00 21.50 C ATOM 53 C LYS A 8 -8.724 -5.302 2.394 1.00 13.40 C ATOM 54 O LYS A 8 -8.729 -4.497 1.463 1.00 52.40 O ATOM 55 CB LYS A 8 -10.420 -4.804 4.165 1.00 54.30 C ATOM 56 CG LYS A 8 -11.920 -4.702 4.382 1.00 72.00 C ATOM 57 CD LYS A 8 -12.560 -3.777 3.364 1.00 3.04 C ATOM 58 CE LYS A 8 -13.860 -3.192 3.892 1.00 64.50 C ATOM 59 NZ LYS A 8 -14.700 -2.625 2.799 1.00 5.44 N ATOM 0 H LYS A 8 -9.817 -7.185 4.561 1.00 34.30 H new ATOM 0 HA LYS A 8 -10.796 -5.754 2.272 1.00 21.50 H new ATOM 0 HB2 LYS A 8 -9.950 -5.134 5.092 1.00 54.30 H new ATOM 0 HB3 LYS A 8 -10.026 -3.812 3.943 1.00 54.30 H new ATOM 0 HG2 LYS A 8 -12.369 -5.693 4.310 1.00 72.00 H new ATOM 0 HG3 LYS A 8 -12.120 -4.334 5.388 1.00 72.00 H new ATOM 0 HD2 LYS A 8 -11.869 -2.971 3.117 1.00 3.04 H new ATOM 0 HD3 LYS A 8 -12.753 -4.325 2.442 1.00 3.04 H new ATOM 0 HE2 LYS A 8 -14.420 -3.967 4.415 1.00 64.50 H new ATOM 0 HE3 LYS A 8 -13.638 -2.412 4.620 1.00 64.50 H new ATOM 0 HZ1 LYS A 8 -15.577 -2.236 3.201 1.00 5.44 H new ATOM 0 HZ2 LYS A 8 -14.176 -1.868 2.315 1.00 5.44 H new ATOM 0 HZ3 LYS A 8 -14.934 -3.374 2.117 1.00 5.44 H new ATOM 73 N ALA A 9 -7.608 -5.819 2.898 1.00 33.50 N ATOM 74 CA ALA A 9 -6.296 -5.462 2.372 1.00 52.50 C ATOM 75 C ALA A 9 -6.142 -5.922 0.926 1.00 25.30 C ATOM 76 O ALA A 9 -5.806 -5.131 0.045 1.00 25.20 O ATOM 77 CB ALA A 9 -5.199 -6.062 3.238 1.00 24.30 C ATOM 0 H ALA A 9 -7.586 -6.486 3.669 1.00 33.50 H new ATOM 0 HA ALA A 9 -6.206 -4.376 2.393 1.00 52.50 H new ATOM 0 HB1 ALA A 9 -4.225 -5.787 2.833 1.00 24.30 H new ATOM 0 HB2 ALA A 9 -5.290 -5.682 4.255 1.00 24.30 H new ATOM 0 HB3 ALA A 9 -5.295 -7.148 3.247 1.00 24.30 H new ATOM 83 N ILE A 10 -6.391 -7.206 0.689 1.00 4.55 N ATOM 84 CA ILE A 10 -6.282 -7.771 -0.650 1.00 13.00 C ATOM 85 C ILE A 10 -7.305 -7.148 -1.593 1.00 53.20 C ATOM 86 O ILE A 10 -7.040 -6.968 -2.781 1.00 12.30 O ATOM 87 CB ILE A 10 -6.479 -9.300 -0.634 1.00 31.40 C ATOM 88 CG1 ILE A 10 -5.575 -9.945 0.419 1.00 21.20 C ATOM 89 CG2 ILE A 10 -6.197 -9.886 -2.010 1.00 21.30 C ATOM 90 CD1 ILE A 10 -6.245 -11.060 1.186 1.00 72.00 C ATOM 0 H ILE A 10 -6.670 -7.874 1.407 1.00 4.55 H new ATOM 0 HA ILE A 10 -5.277 -7.546 -1.007 1.00 13.00 H new ATOM 0 HB ILE A 10 -7.516 -9.513 -0.374 1.00 31.40 H new ATOM 0 HG12 ILE A 10 -4.683 -10.336 -0.070 1.00 21.20 H new ATOM 0 HG13 ILE A 10 -5.244 -9.179 1.121 1.00 21.20 H new ATOM 0 HG21 ILE A 10 -6.341 -10.966 -1.982 1.00 21.30 H new ATOM 0 HG22 ILE A 10 -6.879 -9.448 -2.739 1.00 21.30 H new ATOM 0 HG23 ILE A 10 -5.169 -9.664 -2.296 1.00 21.30 H new ATOM 0 HD11 ILE A 10 -5.547 -11.471 1.915 1.00 72.00 H new ATOM 0 HD12 ILE A 10 -7.122 -10.670 1.703 1.00 72.00 H new ATOM 0 HD13 ILE A 10 -6.551 -11.845 0.494 1.00 72.00 H new ATOM 102 N ASP A 11 -8.475 -6.819 -1.054 1.00 0.24 N ATOM 103 CA ASP A 11 -9.539 -6.215 -1.847 1.00 60.10 C ATOM 104 C ASP A 11 -9.072 -4.906 -2.477 1.00 63.10 C ATOM 105 O ASP A 11 -9.370 -4.623 -3.637 1.00 34.40 O ATOM 106 CB ASP A 11 -10.770 -5.963 -0.978 1.00 12.20 C ATOM 107 CG ASP A 11 -12.060 -6.109 -1.754 1.00 13.50 C ATOM 108 OD1 ASP A 11 -12.560 -7.248 -1.867 1.00 44.40 O ATOM 109 OD2 ASP A 11 -12.580 -5.084 -2.249 1.00 62.40 O ATOM 0 H ASP A 11 -8.710 -6.961 -0.072 1.00 0.24 H new ATOM 0 HA ASP A 11 -9.801 -6.909 -2.645 1.00 60.10 H new ATOM 0 HB2 ASP A 11 -10.771 -6.662 -0.142 1.00 12.20 H new ATOM 0 HB3 ASP A 11 -10.714 -4.960 -0.555 1.00 12.20 H new ATOM 114 N LEU A 12 -8.336 -4.114 -1.705 1.00 35.50 N ATOM 115 CA LEU A 12 -7.826 -2.836 -2.187 1.00 15.40 C ATOM 116 C LEU A 12 -6.784 -3.046 -3.281 1.00 31.00 C ATOM 117 O LEU A 12 -6.752 -2.315 -4.270 1.00 4.40 O ATOM 118 CB LEU A 12 -7.217 -2.037 -1.033 1.00 35.10 C ATOM 119 CG LEU A 12 -8.214 -1.200 -0.229 1.00 32.10 C ATOM 120 CD1 LEU A 12 -7.785 -1.113 1.227 1.00 63.50 C ATOM 121 CD2 LEU A 12 -8.348 0.190 -0.832 1.00 35.00 C ATOM 0 H LEU A 12 -8.079 -4.335 -0.743 1.00 35.50 H new ATOM 0 HA LEU A 12 -8.661 -2.274 -2.607 1.00 15.40 H new ATOM 0 HB2 LEU A 12 -6.717 -2.729 -0.355 1.00 35.10 H new ATOM 0 HB3 LEU A 12 -6.450 -1.375 -1.434 1.00 35.10 H new ATOM 0 HG LEU A 12 -9.188 -1.688 -0.270 1.00 32.10 H new ATOM 0 HD11 LEU A 12 -8.506 -0.514 1.784 1.00 63.50 H new ATOM 0 HD12 LEU A 12 -7.740 -2.115 1.653 1.00 63.50 H new ATOM 0 HD13 LEU A 12 -6.801 -0.647 1.289 1.00 63.50 H new ATOM 0 HD21 LEU A 12 -9.061 0.773 -0.248 1.00 35.00 H new ATOM 0 HD22 LEU A 12 -7.378 0.687 -0.821 1.00 35.00 H new ATOM 0 HD23 LEU A 12 -8.702 0.108 -1.860 1.00 35.00 H new ATOM 133 N VAL A 13 -5.934 -4.051 -3.096 1.00 63.00 N ATOM 134 CA VAL A 13 -4.892 -4.359 -4.068 1.00 10.10 C ATOM 135 C VAL A 13 -5.495 -4.814 -5.392 1.00 73.40 C ATOM 136 O VAL A 13 -4.991 -4.477 -6.463 1.00 21.10 O ATOM 137 CB VAL A 13 -3.942 -5.454 -3.546 1.00 62.30 C ATOM 138 CG1 VAL A 13 -2.766 -5.638 -4.493 1.00 70.50 C ATOM 139 CG2 VAL A 13 -3.458 -5.117 -2.144 1.00 71.20 C ATOM 0 H VAL A 13 -5.947 -4.666 -2.282 1.00 63.00 H new ATOM 0 HA VAL A 13 -4.324 -3.442 -4.225 1.00 10.10 H new ATOM 0 HB VAL A 13 -4.492 -6.394 -3.500 1.00 62.30 H new ATOM 0 HG11 VAL A 13 -2.106 -6.415 -4.107 1.00 70.50 H new ATOM 0 HG12 VAL A 13 -3.133 -5.929 -5.477 1.00 70.50 H new ATOM 0 HG13 VAL A 13 -2.214 -4.701 -4.574 1.00 70.50 H new ATOM 0 HG21 VAL A 13 -2.788 -5.902 -1.792 1.00 71.20 H new ATOM 0 HG22 VAL A 13 -2.925 -4.166 -2.162 1.00 71.20 H new ATOM 0 HG23 VAL A 13 -4.313 -5.041 -1.472 1.00 71.20 H new ATOM 149 N THR A 14 -6.577 -5.582 -5.311 1.00 70.30 N ATOM 150 CA THR A 14 -7.250 -6.084 -6.504 1.00 44.10 C ATOM 151 C THR A 14 -7.696 -4.935 -7.403 1.00 22.30 C ATOM 152 O THR A 14 -7.309 -4.860 -8.570 1.00 1.33 O ATOM 153 CB THR A 14 -8.458 -6.937 -6.112 1.00 24.00 C ATOM 154 OG1 THR A 14 -8.227 -7.597 -4.880 1.00 21.00 O ATOM 155 CG2 THR A 14 -8.804 -7.992 -7.140 1.00 31.30 C ATOM 0 H THR A 14 -7.006 -5.870 -4.432 1.00 70.30 H new ATOM 0 HA THR A 14 -6.541 -6.700 -7.057 1.00 44.10 H new ATOM 0 HB THR A 14 -9.292 -6.239 -6.036 1.00 24.00 H new ATOM 0 HG1 THR A 14 -8.224 -6.940 -4.153 1.00 21.00 H new ATOM 0 HG21 THR A 14 -9.669 -8.561 -6.800 1.00 31.30 H new ATOM 0 HG22 THR A 14 -9.036 -7.512 -8.090 1.00 31.30 H new ATOM 0 HG23 THR A 14 -7.956 -8.664 -7.271 1.00 31.30 H new ATOM 163 N LYS A 15 -8.510 -4.041 -6.852 1.00 13.10 N ATOM 164 CA LYS A 15 -9.008 -2.894 -7.603 1.00 54.40 C ATOM 165 C LYS A 15 -7.857 -2.038 -8.125 1.00 12.20 C ATOM 166 O LYS A 15 -7.996 -1.341 -9.130 1.00 72.30 O ATOM 167 CB LYS A 15 -9.931 -2.046 -6.726 1.00 31.40 C ATOM 168 CG LYS A 15 -11.360 -2.555 -6.680 1.00 41.30 C ATOM 169 CD LYS A 15 -12.240 -1.838 -7.691 1.00 44.20 C ATOM 170 CE LYS A 15 -13.690 -2.272 -7.573 1.00 12.50 C ATOM 171 NZ LYS A 15 -14.430 -2.084 -8.850 1.00 31.40 N ATOM 0 H LYS A 15 -8.839 -4.088 -5.888 1.00 13.10 H new ATOM 0 HA LYS A 15 -9.571 -3.270 -8.457 1.00 54.40 H new ATOM 0 HB2 LYS A 15 -9.531 -2.018 -5.712 1.00 31.40 H new ATOM 0 HB3 LYS A 15 -9.931 -1.021 -7.097 1.00 31.40 H new ATOM 0 HG2 LYS A 15 -11.372 -3.626 -6.881 1.00 41.30 H new ATOM 0 HG3 LYS A 15 -11.766 -2.414 -5.678 1.00 41.30 H new ATOM 0 HD2 LYS A 15 -12.168 -0.761 -7.539 1.00 44.20 H new ATOM 0 HD3 LYS A 15 -11.879 -2.042 -8.699 1.00 44.20 H new ATOM 0 HE2 LYS A 15 -13.732 -3.321 -7.280 1.00 12.50 H new ATOM 0 HE3 LYS A 15 -14.177 -1.700 -6.783 1.00 12.50 H new ATOM 0 HZ1 LYS A 15 -15.416 -2.392 -8.728 1.00 31.40 H new ATOM 0 HZ2 LYS A 15 -14.411 -1.079 -9.117 1.00 31.40 H new ATOM 0 HZ3 LYS A 15 -13.981 -2.650 -9.598 1.00 31.40 H new ATOM 185 N ALA A 16 -6.721 -2.094 -7.436 1.00 70.20 N ATOM 186 CA ALA A 16 -5.549 -1.324 -7.833 1.00 5.44 C ATOM 187 C ALA A 16 -4.845 -1.970 -9.020 1.00 53.20 C ATOM 188 O ALA A 16 -4.351 -1.281 -9.913 1.00 71.50 O ATOM 189 CB ALA A 16 -4.589 -1.183 -6.661 1.00 2.12 C ATOM 0 H ALA A 16 -6.588 -2.664 -6.601 1.00 70.20 H new ATOM 0 HA ALA A 16 -5.882 -0.332 -8.137 1.00 5.44 H new ATOM 0 HB1 ALA A 16 -3.718 -0.606 -6.971 1.00 2.12 H new ATOM 0 HB2 ALA A 16 -5.090 -0.670 -5.840 1.00 2.12 H new ATOM 0 HB3 ALA A 16 -4.270 -2.172 -6.331 1.00 2.12 H new ATOM 195 N THR A 17 -4.805 -3.298 -9.025 1.00 70.50 N ATOM 196 CA THR A 17 -4.162 -4.039 -10.100 1.00 41.20 C ATOM 197 C THR A 17 -4.838 -3.745 -11.440 1.00 53.00 C ATOM 198 O THR A 17 -4.178 -3.651 -12.470 1.00 74.40 O ATOM 199 CB THR A 17 -4.200 -5.543 -9.816 1.00 64.30 C ATOM 200 OG1 THR A 17 -4.799 -5.800 -8.558 1.00 13.20 O ATOM 201 CG2 THR A 17 -2.830 -6.185 -9.810 1.00 15.50 C ATOM 0 H THR A 17 -5.211 -3.883 -8.295 1.00 70.50 H new ATOM 0 HA THR A 17 -3.122 -3.717 -10.155 1.00 41.20 H new ATOM 0 HB THR A 17 -4.784 -5.976 -10.628 1.00 64.30 H new ATOM 0 HG1 THR A 17 -4.298 -5.335 -7.856 1.00 13.20 H new ATOM 0 HG21 THR A 17 -2.928 -7.251 -9.603 1.00 15.50 H new ATOM 0 HG22 THR A 17 -2.359 -6.047 -10.783 1.00 15.50 H new ATOM 0 HG23 THR A 17 -2.214 -5.721 -9.040 1.00 15.50 H new ATOM 209 N GLU A 18 -6.160 -3.601 -11.400 1.00 4.00 N ATOM 210 CA GLU A 18 -6.928 -3.317 -12.610 1.00 65.10 C ATOM 211 C GLU A 18 -6.734 -1.869 -13.050 1.00 51.40 C ATOM 212 O GLU A 18 -6.676 -1.570 -14.240 1.00 54.20 O ATOM 213 CB GLU A 18 -8.415 -3.595 -12.380 1.00 24.40 C ATOM 214 CG GLU A 18 -8.683 -4.843 -11.550 1.00 53.20 C ATOM 215 CD GLU A 18 -7.981 -6.069 -12.100 1.00 34.00 C ATOM 216 OE1 GLU A 18 -6.743 -6.158 -11.960 1.00 5.13 O ATOM 217 OE2 GLU A 18 -8.668 -6.940 -12.670 1.00 24.00 O ATOM 0 H GLU A 18 -6.719 -3.675 -10.550 1.00 4.00 H new ATOM 0 HA GLU A 18 -6.563 -3.973 -13.400 1.00 65.10 H new ATOM 0 HB2 GLU A 18 -8.864 -2.735 -11.882 1.00 24.40 H new ATOM 0 HB3 GLU A 18 -8.910 -3.698 -13.346 1.00 24.40 H new ATOM 0 HG2 GLU A 18 -8.356 -4.670 -10.525 1.00 53.20 H new ATOM 0 HG3 GLU A 18 -9.757 -5.028 -11.515 1.00 53.20 H new ATOM 224 N GLU A 19 -6.636 -0.973 -12.070 1.00 74.40 N ATOM 225 CA GLU A 19 -6.448 0.445 -12.350 1.00 54.00 C ATOM 226 C GLU A 19 -5.048 0.710 -12.900 1.00 1.15 C ATOM 227 O GLU A 19 -4.885 1.372 -13.920 1.00 22.40 O ATOM 228 CB GLU A 19 -6.680 1.272 -11.090 1.00 64.50 C ATOM 229 CG GLU A 19 -8.132 1.668 -10.880 1.00 53.30 C ATOM 230 CD GLU A 19 -9.071 0.478 -10.900 1.00 34.00 C ATOM 231 OE1 GLU A 19 -9.116 -0.219 -11.940 1.00 72.10 O ATOM 232 OE2 GLU A 19 -9.761 0.242 -9.894 1.00 10.50 O ATOM 0 H GLU A 19 -6.684 -1.205 -11.078 1.00 74.40 H new ATOM 0 HA GLU A 19 -7.177 0.740 -13.105 1.00 54.00 H new ATOM 0 HB2 GLU A 19 -6.338 0.704 -10.225 1.00 64.50 H new ATOM 0 HB3 GLU A 19 -6.070 2.174 -11.140 1.00 64.50 H new ATOM 0 HG2 GLU A 19 -8.229 2.186 -9.926 1.00 53.30 H new ATOM 0 HG3 GLU A 19 -8.428 2.373 -11.657 1.00 53.30 H new ATOM 239 N ASP A 20 -4.041 0.188 -12.210 1.00 1.03 N ATOM 240 CA ASP A 20 -2.654 0.367 -12.620 1.00 61.50 C ATOM 241 C ASP A 20 -2.427 -0.189 -14.020 1.00 31.10 C ATOM 242 O ASP A 20 -1.617 0.337 -14.790 1.00 33.10 O ATOM 243 CB ASP A 20 -1.711 -0.317 -11.630 1.00 3.12 C ATOM 244 CG ASP A 20 -0.425 0.459 -11.420 1.00 61.20 C ATOM 245 OD1 ASP A 20 -0.016 1.186 -12.350 1.00 43.50 O ATOM 246 OD2 ASP A 20 0.173 0.340 -10.330 1.00 60.30 O ATOM 0 H ASP A 20 -4.160 -0.365 -11.361 1.00 1.03 H new ATOM 0 HA ASP A 20 -2.442 1.436 -12.631 1.00 61.50 H new ATOM 0 HB2 ASP A 20 -2.219 -0.437 -10.673 1.00 3.12 H new ATOM 0 HB3 ASP A 20 -1.473 -1.317 -11.992 1.00 3.12 H new ATOM 251 N LYS A 21 -3.147 -1.256 -14.360 1.00 71.20 N ATOM 252 CA LYS A 21 -3.022 -1.883 -15.670 1.00 22.50 C ATOM 253 C LYS A 21 -3.967 -1.236 -16.680 1.00 64.10 C ATOM 254 O LYS A 21 -3.710 -1.253 -17.880 1.00 5.50 O ATOM 255 CB LYS A 21 -3.306 -3.384 -15.570 1.00 34.00 C ATOM 256 CG LYS A 21 -4.761 -3.715 -15.270 1.00 2.04 C ATOM 257 CD LYS A 21 -4.941 -5.187 -14.940 1.00 4.30 C ATOM 258 CE LYS A 21 -6.242 -5.731 -15.510 1.00 43.40 C ATOM 259 NZ LYS A 21 -6.382 -5.435 -16.960 1.00 2.14 N ATOM 0 H LYS A 21 -3.824 -1.704 -13.743 1.00 71.20 H new ATOM 0 HA LYS A 21 -1.999 -1.738 -16.018 1.00 22.50 H new ATOM 0 HB2 LYS A 21 -3.020 -3.862 -16.507 1.00 34.00 H new ATOM 0 HB3 LYS A 21 -2.677 -3.812 -14.789 1.00 34.00 H new ATOM 0 HG2 LYS A 21 -5.108 -3.109 -14.433 1.00 2.04 H new ATOM 0 HG3 LYS A 21 -5.379 -3.456 -16.130 1.00 2.04 H new ATOM 0 HD2 LYS A 21 -4.101 -5.756 -15.340 1.00 4.30 H new ATOM 0 HD3 LYS A 21 -4.932 -5.322 -13.858 1.00 4.30 H new ATOM 0 HE2 LYS A 21 -6.283 -6.809 -15.355 1.00 43.40 H new ATOM 0 HE3 LYS A 21 -7.084 -5.299 -14.969 1.00 43.40 H new ATOM 0 HZ1 LYS A 21 -6.868 -6.225 -17.430 1.00 2.14 H new ATOM 0 HZ2 LYS A 21 -6.936 -4.564 -17.085 1.00 2.14 H new ATOM 0 HZ3 LYS A 21 -5.439 -5.309 -17.381 1.00 2.14 H new ATOM 273 N ALA A 22 -5.062 -0.667 -16.180 1.00 53.30 N ATOM 274 CA ALA A 22 -6.043 -0.018 -17.040 1.00 24.40 C ATOM 275 C ALA A 22 -5.821 1.490 -17.090 1.00 44.40 C ATOM 276 O ALA A 22 -6.763 2.260 -17.280 1.00 71.40 O ATOM 277 CB ALA A 22 -7.453 -0.328 -16.560 1.00 30.40 C ATOM 0 H ALA A 22 -5.290 -0.643 -15.186 1.00 53.30 H new ATOM 0 HA ALA A 22 -5.918 -0.411 -18.049 1.00 24.40 H new ATOM 0 HB1 ALA A 22 -8.175 0.163 -17.212 1.00 30.40 H new ATOM 0 HB2 ALA A 22 -7.617 -1.405 -16.584 1.00 30.40 H new ATOM 0 HB3 ALA A 22 -7.578 0.036 -15.540 1.00 30.40 H new ATOM 283 N LYS A 23 -4.570 1.907 -16.930 1.00 23.30 N ATOM 284 CA LYS A 23 -4.225 3.324 -16.960 1.00 51.00 C ATOM 285 C LYS A 23 -4.998 4.101 -15.900 1.00 43.10 C ATOM 286 O LYS A 23 -5.889 4.889 -16.210 1.00 54.30 O ATOM 287 CB LYS A 23 -4.509 3.908 -18.340 1.00 61.30 C ATOM 288 CG LYS A 23 -4.000 3.043 -19.480 1.00 51.00 C ATOM 289 CD LYS A 23 -4.445 3.583 -20.830 1.00 12.10 C ATOM 290 CE LYS A 23 -3.558 3.072 -21.960 1.00 72.00 C ATOM 291 NZ LYS A 23 -4.160 1.900 -22.650 1.00 34.00 N ATOM 0 H LYS A 23 -3.777 1.284 -16.778 1.00 23.30 H new ATOM 0 HA LYS A 23 -3.161 3.414 -16.744 1.00 51.00 H new ATOM 0 HB2 LYS A 23 -5.584 4.048 -18.452 1.00 61.30 H new ATOM 0 HB3 LYS A 23 -4.050 4.894 -18.410 1.00 61.30 H new ATOM 0 HG2 LYS A 23 -2.911 2.998 -19.446 1.00 51.00 H new ATOM 0 HG3 LYS A 23 -4.366 2.024 -19.356 1.00 51.00 H new ATOM 0 HD2 LYS A 23 -5.478 3.290 -21.017 1.00 12.10 H new ATOM 0 HD3 LYS A 23 -4.421 4.673 -20.812 1.00 12.10 H new ATOM 0 HE2 LYS A 23 -3.392 3.872 -22.681 1.00 72.00 H new ATOM 0 HE3 LYS A 23 -2.583 2.796 -21.560 1.00 72.00 H new ATOM 0 HZ1 LYS A 23 -3.527 1.582 -23.411 1.00 34.00 H new ATOM 0 HZ2 LYS A 23 -4.295 1.127 -21.967 1.00 34.00 H new ATOM 0 HZ3 LYS A 23 -5.079 2.170 -23.054 1.00 34.00 H new ATOM 305 N ASN A 24 -4.649 3.873 -14.630 1.00 72.10 N ATOM 306 CA ASN A 24 -5.309 4.553 -13.520 1.00 62.30 C ATOM 307 C ASN A 24 -4.391 4.620 -12.310 1.00 23.20 C ATOM 308 O ASN A 24 -4.699 4.067 -11.250 1.00 44.40 O ATOM 309 CB ASN A 24 -6.612 3.838 -13.160 1.00 33.20 C ATOM 310 CG ASN A 24 -7.809 4.412 -13.890 1.00 24.30 C ATOM 311 OD1 ASN A 24 -7.778 5.549 -14.360 1.00 61.00 O ATOM 312 ND2 ASN A 24 -8.875 3.625 -13.990 1.00 53.20 N ATOM 0 H ASN A 24 -3.914 3.224 -14.349 1.00 72.10 H new ATOM 0 HA ASN A 24 -5.543 5.572 -13.830 1.00 62.30 H new ATOM 0 HB2 ASN A 24 -6.519 2.778 -13.398 1.00 33.20 H new ATOM 0 HB3 ASN A 24 -6.777 3.910 -12.085 1.00 33.20 H new ATOM 0 HD21 ASN A 24 -9.711 3.957 -14.471 1.00 53.20 H new ATOM 0 HD22 ASN A 24 -8.857 2.689 -13.586 1.00 53.20 H new ATOM 319 N TYR A 25 -3.261 5.302 -12.460 1.00 13.40 N ATOM 320 CA TYR A 25 -2.297 5.443 -11.380 1.00 34.20 C ATOM 321 C TYR A 25 -2.896 6.226 -10.210 1.00 12.30 C ATOM 322 O TYR A 25 -2.562 5.987 -9.059 1.00 45.10 O ATOM 323 CB TYR A 25 -1.032 6.141 -11.880 1.00 74.10 C ATOM 324 CG TYR A 25 -0.521 5.597 -13.200 1.00 42.40 C ATOM 325 CD1 TYR A 25 -0.104 4.277 -13.310 1.00 55.10 C ATOM 326 CD2 TYR A 25 -0.456 6.405 -14.320 1.00 50.30 C ATOM 327 CE1 TYR A 25 0.363 3.776 -14.510 1.00 21.50 C ATOM 328 CE2 TYR A 25 0.010 5.911 -15.530 1.00 5.44 C ATOM 329 CZ TYR A 25 0.418 4.597 -15.610 1.00 1.32 C ATOM 330 OH TYR A 25 0.883 4.102 -16.810 1.00 31.40 O ATOM 0 H TYR A 25 -2.991 5.768 -13.326 1.00 13.40 H new ATOM 0 HA TYR A 25 -2.037 4.444 -11.030 1.00 34.20 H new ATOM 0 HB2 TYR A 25 -1.234 7.207 -11.989 1.00 74.10 H new ATOM 0 HB3 TYR A 25 -0.250 6.040 -11.128 1.00 74.10 H new ATOM 0 HD1 TYR A 25 -0.145 3.632 -12.445 1.00 55.10 H new ATOM 0 HD2 TYR A 25 -0.772 7.435 -14.252 1.00 50.30 H new ATOM 0 HE1 TYR A 25 0.682 2.747 -14.583 1.00 21.50 H new ATOM 0 HE2 TYR A 25 0.053 6.549 -16.400 1.00 5.44 H new ATOM 0 HH TYR A 25 0.857 4.809 -17.488 1.00 31.40 H new ATOM 340 N GLU A 26 -3.784 7.162 -10.530 1.00 55.00 N ATOM 341 CA GLU A 26 -4.431 7.980 -9.518 1.00 22.40 C ATOM 342 C GLU A 26 -5.362 7.136 -8.654 1.00 72.40 C ATOM 343 O GLU A 26 -5.434 7.320 -7.439 1.00 1.22 O ATOM 344 CB GLU A 26 -5.216 9.120 -10.170 1.00 24.40 C ATOM 345 CG GLU A 26 -5.195 10.410 -9.369 1.00 2.25 C ATOM 346 CD GLU A 26 -5.947 11.535 -10.050 1.00 41.00 C ATOM 347 OE1 GLU A 26 -7.194 11.543 -9.986 1.00 3.23 O ATOM 348 OE2 GLU A 26 -5.288 12.407 -10.650 1.00 71.10 O ATOM 0 H GLU A 26 -4.071 7.371 -11.486 1.00 55.00 H new ATOM 0 HA GLU A 26 -3.655 8.405 -8.882 1.00 22.40 H new ATOM 0 HB2 GLU A 26 -4.806 9.311 -11.162 1.00 24.40 H new ATOM 0 HB3 GLU A 26 -6.250 8.805 -10.308 1.00 24.40 H new ATOM 0 HG2 GLU A 26 -5.631 10.230 -8.387 1.00 2.25 H new ATOM 0 HG3 GLU A 26 -4.161 10.715 -9.207 1.00 2.25 H new ATOM 355 N GLU A 27 -6.074 6.211 -9.289 1.00 43.20 N ATOM 356 CA GLU A 27 -7.001 5.338 -8.578 1.00 1.33 C ATOM 357 C GLU A 27 -6.266 4.152 -7.960 1.00 34.40 C ATOM 358 O GLU A 27 -6.656 3.648 -6.907 1.00 5.32 O ATOM 359 CB GLU A 27 -8.093 4.839 -9.526 1.00 32.20 C ATOM 360 CG GLU A 27 -9.309 4.275 -8.810 1.00 14.10 C ATOM 361 CD GLU A 27 -10.430 5.282 -8.691 1.00 5.13 C ATOM 362 OE1 GLU A 27 -10.190 6.376 -8.137 1.00 24.00 O ATOM 363 OE2 GLU A 27 -11.550 4.979 -9.154 1.00 41.30 O ATOM 0 H GLU A 27 -6.027 6.047 -10.295 1.00 43.20 H new ATOM 0 HA GLU A 27 -7.462 5.915 -7.776 1.00 1.33 H new ATOM 0 HB2 GLU A 27 -8.409 5.661 -10.168 1.00 32.20 H new ATOM 0 HB3 GLU A 27 -7.675 4.070 -10.176 1.00 32.20 H new ATOM 0 HG2 GLU A 27 -9.669 3.398 -9.348 1.00 14.10 H new ATOM 0 HG3 GLU A 27 -9.018 3.941 -7.814 1.00 14.10 H new ATOM 370 N ALA A 28 -5.202 3.712 -8.623 1.00 22.20 N ATOM 371 CA ALA A 28 -4.413 2.586 -8.138 1.00 0.55 C ATOM 372 C ALA A 28 -3.619 2.966 -6.893 1.00 21.30 C ATOM 373 O ALA A 28 -3.557 2.205 -5.928 1.00 51.40 O ATOM 374 CB ALA A 28 -3.478 2.088 -9.231 1.00 55.20 C ATOM 0 H ALA A 28 -4.867 4.118 -9.497 1.00 22.20 H new ATOM 0 HA ALA A 28 -5.099 1.784 -7.867 1.00 0.55 H new ATOM 0 HB1 ALA A 28 -2.895 1.247 -8.856 1.00 55.20 H new ATOM 0 HB2 ALA A 28 -4.064 1.767 -10.093 1.00 55.20 H new ATOM 0 HB3 ALA A 28 -2.805 2.892 -9.529 1.00 55.20 H new ATOM 380 N LEU A 29 -3.013 4.149 -6.922 1.00 35.30 N ATOM 381 CA LEU A 29 -2.223 4.631 -5.796 1.00 5.13 C ATOM 382 C LEU A 29 -3.081 4.750 -4.540 1.00 73.40 C ATOM 383 O LEU A 29 -2.699 4.280 -3.469 1.00 0.42 O ATOM 384 CB LEU A 29 -1.592 5.985 -6.130 1.00 12.20 C ATOM 385 CG LEU A 29 -0.554 6.491 -5.124 1.00 23.00 C ATOM 386 CD1 LEU A 29 -1.235 6.989 -3.858 1.00 41.00 C ATOM 387 CD2 LEU A 29 0.451 5.396 -4.795 1.00 12.10 C ATOM 0 H LEU A 29 -3.054 4.791 -7.714 1.00 35.30 H new ATOM 0 HA LEU A 29 -1.431 3.908 -5.604 1.00 5.13 H new ATOM 0 HB2 LEU A 29 -1.120 5.915 -7.110 1.00 12.20 H new ATOM 0 HB3 LEU A 29 -2.386 6.727 -6.211 1.00 12.20 H new ATOM 0 HG LEU A 29 -0.017 7.325 -5.576 1.00 23.00 H new ATOM 0 HD11 LEU A 29 -0.481 7.344 -3.155 1.00 41.00 H new ATOM 0 HD12 LEU A 29 -1.913 7.805 -4.107 1.00 41.00 H new ATOM 0 HD13 LEU A 29 -1.799 6.174 -3.404 1.00 41.00 H new ATOM 0 HD21 LEU A 29 1.180 5.775 -4.079 1.00 12.10 H new ATOM 0 HD22 LEU A 29 -0.070 4.541 -4.364 1.00 12.10 H new ATOM 0 HD23 LEU A 29 0.964 5.087 -5.706 1.00 12.10 H new ATOM 399 N ARG A 30 -4.242 5.382 -4.681 1.00 40.30 N ATOM 400 CA ARG A 30 -5.154 5.562 -3.557 1.00 12.40 C ATOM 401 C ARG A 30 -5.576 4.216 -2.976 1.00 3.12 C ATOM 402 O ARG A 30 -5.621 4.041 -1.758 1.00 74.30 O ATOM 403 CB ARG A 30 -6.389 6.351 -3.997 1.00 1.12 C ATOM 404 CG ARG A 30 -7.116 5.733 -5.180 1.00 74.40 C ATOM 405 CD ARG A 30 -8.376 6.509 -5.527 1.00 14.40 C ATOM 406 NE ARG A 30 -8.084 7.897 -5.879 1.00 34.20 N ATOM 407 CZ ARG A 30 -8.995 8.868 -5.880 1.00 12.30 C ATOM 408 NH1 ARG A 30 -10.250 8.607 -5.550 1.00 11.40 N ATOM 409 NH2 ARG A 30 -8.645 10.103 -6.212 1.00 62.00 N ATOM 0 H ARG A 30 -4.573 5.777 -5.561 1.00 40.30 H new ATOM 0 HA ARG A 30 -4.630 6.122 -2.783 1.00 12.40 H new ATOM 0 HB2 ARG A 30 -7.079 6.428 -3.157 1.00 1.12 H new ATOM 0 HB3 ARG A 30 -6.088 7.366 -4.256 1.00 1.12 H new ATOM 0 HG2 ARG A 30 -6.452 5.710 -6.044 1.00 74.40 H new ATOM 0 HG3 ARG A 30 -7.376 4.700 -4.949 1.00 74.40 H new ATOM 0 HD2 ARG A 30 -8.884 6.023 -6.360 1.00 14.40 H new ATOM 0 HD3 ARG A 30 -9.061 6.486 -4.679 1.00 14.40 H new ATOM 0 HE ARG A 30 -7.127 8.136 -6.139 1.00 34.20 H new ATOM 0 HH11 ARG A 30 -10.523 7.658 -5.293 1.00 11.40 H new ATOM 0 HH12 ARG A 30 -10.944 9.355 -5.552 1.00 11.40 H new ATOM 0 HH21 ARG A 30 -7.679 10.308 -6.466 1.00 62.00 H new ATOM 0 HH22 ARG A 30 -9.342 10.848 -6.213 1.00 62.00 H new ATOM 423 N LEU A 31 -5.882 3.268 -3.855 1.00 31.30 N ATOM 424 CA LEU A 31 -6.300 1.937 -3.430 1.00 32.00 C ATOM 425 C LEU A 31 -5.121 1.154 -2.862 1.00 60.10 C ATOM 426 O LEU A 31 -5.249 0.469 -1.847 1.00 33.40 O ATOM 427 CB LEU A 31 -6.917 1.174 -4.603 1.00 52.20 C ATOM 428 CG LEU A 31 -8.366 1.542 -4.925 1.00 2.01 C ATOM 429 CD1 LEU A 31 -8.651 1.345 -6.405 1.00 42.20 C ATOM 430 CD2 LEU A 31 -9.325 0.716 -4.081 1.00 31.40 C ATOM 0 H LEU A 31 -5.848 3.397 -4.866 1.00 31.30 H new ATOM 0 HA LEU A 31 -7.049 2.051 -2.647 1.00 32.00 H new ATOM 0 HB2 LEU A 31 -6.308 1.348 -5.490 1.00 52.20 H new ATOM 0 HB3 LEU A 31 -6.869 0.107 -4.388 1.00 52.20 H new ATOM 0 HG LEU A 31 -8.515 2.595 -4.685 1.00 2.01 H new ATOM 0 HD11 LEU A 31 -9.687 1.612 -6.615 1.00 42.20 H new ATOM 0 HD12 LEU A 31 -7.987 1.980 -6.991 1.00 42.20 H new ATOM 0 HD13 LEU A 31 -8.484 0.301 -6.672 1.00 42.20 H new ATOM 0 HD21 LEU A 31 -10.352 0.991 -4.323 1.00 31.40 H new ATOM 0 HD22 LEU A 31 -9.174 -0.343 -4.290 1.00 31.40 H new ATOM 0 HD23 LEU A 31 -9.137 0.908 -3.025 1.00 31.40 H new ATOM 442 N TYR A 32 -3.973 1.259 -3.524 1.00 23.30 N ATOM 443 CA TYR A 32 -2.770 0.561 -3.085 1.00 64.40 C ATOM 444 C TYR A 32 -2.326 1.052 -1.712 1.00 74.50 C ATOM 445 O TYR A 32 -1.878 0.268 -0.875 1.00 64.40 O ATOM 446 CB TYR A 32 -1.642 0.757 -4.100 1.00 51.40 C ATOM 447 CG TYR A 32 -1.600 -0.306 -5.174 1.00 31.10 C ATOM 448 CD1 TYR A 32 -1.642 -1.655 -4.844 1.00 24.30 C ATOM 449 CD2 TYR A 32 -1.520 0.039 -6.517 1.00 32.30 C ATOM 450 CE1 TYR A 32 -1.603 -2.630 -5.823 1.00 21.40 C ATOM 451 CE2 TYR A 32 -1.481 -0.930 -7.501 1.00 71.20 C ATOM 452 CZ TYR A 32 -1.523 -2.263 -7.149 1.00 15.20 C ATOM 453 OH TYR A 32 -1.485 -3.230 -8.127 1.00 63.20 O ATOM 0 H TYR A 32 -3.851 1.821 -4.366 1.00 23.30 H new ATOM 0 HA TYR A 32 -3.003 -0.501 -3.012 1.00 64.40 H new ATOM 0 HB2 TYR A 32 -1.755 1.733 -4.572 1.00 51.40 H new ATOM 0 HB3 TYR A 32 -0.688 0.766 -3.573 1.00 51.40 H new ATOM 0 HD1 TYR A 32 -1.706 -1.946 -3.806 1.00 24.30 H new ATOM 0 HD2 TYR A 32 -1.488 1.082 -6.797 1.00 32.30 H new ATOM 0 HE1 TYR A 32 -1.635 -3.674 -5.550 1.00 21.40 H new ATOM 0 HE2 TYR A 32 -1.418 -0.645 -8.541 1.00 71.20 H new ATOM 0 HH TYR A 32 -1.430 -2.803 -9.007 1.00 63.20 H new ATOM 463 N GLN A 33 -2.453 2.356 -1.486 1.00 44.40 N ATOM 464 CA GLN A 33 -2.064 2.953 -0.213 1.00 14.00 C ATOM 465 C GLN A 33 -2.861 2.348 0.938 1.00 44.30 C ATOM 466 O GLN A 33 -2.289 1.805 1.884 1.00 31.10 O ATOM 467 CB GLN A 33 -2.272 4.468 -0.252 1.00 1.14 C ATOM 468 CG GLN A 33 -1.058 5.237 -0.747 1.00 11.20 C ATOM 469 CD GLN A 33 -1.265 6.738 -0.714 1.00 33.30 C ATOM 470 OE1 GLN A 33 -0.427 7.481 -0.202 1.00 4.51 O ATOM 471 NE2 GLN A 33 -2.387 7.193 -1.260 1.00 42.40 N ATOM 0 H GLN A 33 -2.822 3.019 -2.168 1.00 44.40 H new ATOM 0 HA GLN A 33 -1.007 2.742 -0.049 1.00 14.00 H new ATOM 0 HB2 GLN A 33 -3.122 4.693 -0.897 1.00 1.14 H new ATOM 0 HB3 GLN A 33 -2.529 4.817 0.748 1.00 1.14 H new ATOM 0 HG2 GLN A 33 -0.195 4.980 -0.133 1.00 11.20 H new ATOM 0 HG3 GLN A 33 -0.828 4.928 -1.767 1.00 11.20 H new ATOM 0 HE21 GLN A 33 -3.054 6.541 -1.673 1.00 42.40 H new ATOM 0 HE22 GLN A 33 -2.582 8.194 -1.266 1.00 42.40 H new ATOM 480 N HIS A 34 -4.183 2.446 0.852 1.00 63.40 N ATOM 481 CA HIS A 34 -5.059 1.908 1.887 1.00 34.30 C ATOM 482 C HIS A 34 -4.862 0.404 2.039 1.00 12.20 C ATOM 483 O HIS A 34 -5.012 -0.145 3.131 1.00 2.53 O ATOM 484 CB HIS A 34 -6.521 2.212 1.556 1.00 61.10 C ATOM 485 CG HIS A 34 -6.855 3.671 1.608 1.00 75.10 C ATOM 486 ND1 HIS A 34 -5.919 4.649 1.869 1.00 45.40 N ATOM 487 CD2 HIS A 34 -8.032 4.317 1.430 1.00 33.00 C ATOM 488 CE1 HIS A 34 -6.505 5.833 1.850 1.00 25.40 C ATOM 489 NE2 HIS A 34 -7.787 5.659 1.586 1.00 14.40 N ATOM 0 H HIS A 34 -4.672 2.893 0.076 1.00 63.40 H new ATOM 0 HA HIS A 34 -4.801 2.387 2.831 1.00 34.30 H new ATOM 0 HB2 HIS A 34 -6.746 1.831 0.560 1.00 61.10 H new ATOM 0 HB3 HIS A 34 -7.163 1.675 2.255 1.00 61.10 H new ATOM 0 HD2 HIS A 34 -8.985 3.861 1.207 1.00 33.00 H new ATOM 0 HE1 HIS A 34 -6.018 6.782 2.021 1.00 25.40 H new ATOM 0 HE2 HIS A 34 -8.483 6.401 1.510 1.00 14.40 H new ATOM 498 N ALA A 35 -4.526 -0.259 0.937 1.00 41.10 N ATOM 499 CA ALA A 35 -4.309 -1.700 0.948 1.00 54.00 C ATOM 500 C ALA A 35 -3.181 -2.079 1.901 1.00 61.10 C ATOM 501 O ALA A 35 -3.346 -2.945 2.761 1.00 53.40 O ATOM 502 CB ALA A 35 -4.004 -2.199 -0.457 1.00 75.00 C ATOM 0 H ALA A 35 -4.398 0.180 0.025 1.00 41.10 H new ATOM 0 HA ALA A 35 -5.224 -2.176 1.301 1.00 54.00 H new ATOM 0 HB1 ALA A 35 -3.844 -3.277 -0.434 1.00 75.00 H new ATOM 0 HB2 ALA A 35 -4.843 -1.971 -1.114 1.00 75.00 H new ATOM 0 HB3 ALA A 35 -3.106 -1.707 -0.831 1.00 75.00 H new ATOM 508 N VAL A 36 -2.035 -1.424 1.744 1.00 30.10 N ATOM 509 CA VAL A 36 -0.879 -1.692 2.591 1.00 54.30 C ATOM 510 C VAL A 36 -1.202 -1.435 4.059 1.00 13.30 C ATOM 511 O VAL A 36 -0.777 -2.184 4.939 1.00 3.41 O ATOM 512 CB VAL A 36 0.329 -0.828 2.185 1.00 14.20 C ATOM 513 CG1 VAL A 36 1.575 -1.261 2.941 1.00 32.20 C ATOM 514 CG2 VAL A 36 0.555 -0.900 0.682 1.00 51.10 C ATOM 0 H VAL A 36 -1.882 -0.704 1.038 1.00 30.10 H new ATOM 0 HA VAL A 36 -0.626 -2.743 2.455 1.00 54.30 H new ATOM 0 HB VAL A 36 0.116 0.208 2.448 1.00 14.20 H new ATOM 0 HG11 VAL A 36 2.418 -0.639 2.640 1.00 32.20 H new ATOM 0 HG12 VAL A 36 1.407 -1.151 4.012 1.00 32.20 H new ATOM 0 HG13 VAL A 36 1.795 -2.304 2.713 1.00 32.20 H new ATOM 0 HG21 VAL A 36 1.413 -0.283 0.413 1.00 51.10 H new ATOM 0 HG22 VAL A 36 0.746 -1.933 0.392 1.00 51.10 H new ATOM 0 HG23 VAL A 36 -0.331 -0.535 0.163 1.00 51.10 H new ATOM 524 N GLU A 37 -1.957 -0.372 4.316 1.00 63.20 N ATOM 525 CA GLU A 37 -2.337 -0.016 5.678 1.00 43.40 C ATOM 526 C GLU A 37 -3.144 -1.135 6.328 1.00 30.10 C ATOM 527 O GLU A 37 -3.075 -1.342 7.539 1.00 3.32 O ATOM 528 CB GLU A 37 -3.148 1.281 5.681 1.00 24.30 C ATOM 529 CG GLU A 37 -2.289 2.535 5.657 1.00 13.30 C ATOM 530 CD GLU A 37 -3.004 3.719 5.035 1.00 11.10 C ATOM 531 OE1 GLU A 37 -4.245 3.790 5.150 1.00 10.00 O ATOM 532 OE2 GLU A 37 -2.322 4.574 4.432 1.00 2.11 O ATOM 0 H GLU A 37 -2.318 0.258 3.599 1.00 63.20 H new ATOM 0 HA GLU A 37 -1.425 0.132 6.256 1.00 43.40 H new ATOM 0 HB2 GLU A 37 -3.810 1.288 4.815 1.00 24.30 H new ATOM 0 HB3 GLU A 37 -3.782 1.302 6.568 1.00 24.30 H new ATOM 0 HG2 GLU A 37 -1.993 2.788 6.675 1.00 13.30 H new ATOM 0 HG3 GLU A 37 -1.374 2.334 5.100 1.00 13.30 H new ATOM 539 N TYR A 38 -3.910 -1.855 5.514 1.00 41.40 N ATOM 540 CA TYR A 38 -4.731 -2.954 6.009 1.00 31.40 C ATOM 541 C TYR A 38 -3.882 -4.196 6.260 1.00 32.20 C ATOM 542 O TYR A 38 -4.170 -4.985 7.160 1.00 15.10 O ATOM 543 CB TYR A 38 -5.845 -3.275 5.011 1.00 50.00 C ATOM 544 CG TYR A 38 -7.128 -2.518 5.271 1.00 54.00 C ATOM 545 CD1 TYR A 38 -7.931 -2.828 6.361 1.00 75.30 C ATOM 546 CD2 TYR A 38 -7.535 -1.493 4.426 1.00 4.51 C ATOM 547 CE1 TYR A 38 -9.105 -2.138 6.601 1.00 35.30 C ATOM 548 CE2 TYR A 38 -8.707 -0.799 4.660 1.00 41.00 C ATOM 549 CZ TYR A 38 -9.488 -1.125 5.748 1.00 44.30 C ATOM 550 OH TYR A 38 -10.650 -0.436 5.985 1.00 11.30 O ATOM 0 H TYR A 38 -3.979 -1.697 4.509 1.00 41.40 H new ATOM 0 HA TYR A 38 -5.178 -2.645 6.954 1.00 31.40 H new ATOM 0 HB2 TYR A 38 -5.496 -3.047 4.004 1.00 50.00 H new ATOM 0 HB3 TYR A 38 -6.052 -4.345 5.042 1.00 50.00 H new ATOM 0 HD1 TYR A 38 -7.634 -3.621 7.032 1.00 75.30 H new ATOM 0 HD2 TYR A 38 -6.926 -1.234 3.573 1.00 4.51 H new ATOM 0 HE1 TYR A 38 -9.719 -2.391 7.453 1.00 35.30 H new ATOM 0 HE2 TYR A 38 -9.010 -0.005 3.993 1.00 41.00 H new ATOM 0 HH TYR A 38 -10.773 0.245 5.292 1.00 11.30 H new ATOM 560 N PHE A 39 -2.836 -4.364 5.457 1.00 51.20 N ATOM 561 CA PHE A 39 -1.946 -5.511 5.592 1.00 52.10 C ATOM 562 C PHE A 39 -1.158 -5.437 6.896 1.00 75.00 C ATOM 563 O PHE A 39 -1.161 -6.379 7.689 1.00 23.20 O ATOM 564 CB PHE A 39 -0.984 -5.579 4.405 1.00 32.20 C ATOM 565 CG PHE A 39 -1.504 -6.397 3.257 1.00 35.40 C ATOM 566 CD1 PHE A 39 -1.986 -7.679 3.466 1.00 72.20 C ATOM 567 CD2 PHE A 39 -1.511 -5.883 1.970 1.00 63.40 C ATOM 568 CE1 PHE A 39 -2.465 -8.434 2.412 1.00 25.20 C ATOM 569 CE2 PHE A 39 -1.989 -6.633 0.913 1.00 61.30 C ATOM 570 CZ PHE A 39 -2.466 -7.910 1.134 1.00 22.10 C ATOM 0 H PHE A 39 -2.584 -3.721 4.707 1.00 51.20 H new ATOM 0 HA PHE A 39 -2.557 -6.414 5.608 1.00 52.10 H new ATOM 0 HB2 PHE A 39 -0.779 -4.567 4.056 1.00 32.20 H new ATOM 0 HB3 PHE A 39 -0.036 -5.999 4.740 1.00 32.20 H new ATOM 0 HD1 PHE A 39 -1.987 -8.093 4.464 1.00 72.20 H new ATOM 0 HD2 PHE A 39 -1.139 -4.885 1.791 1.00 63.40 H new ATOM 0 HE1 PHE A 39 -2.838 -9.432 2.587 1.00 25.20 H new ATOM 0 HE2 PHE A 39 -1.990 -6.221 -0.085 1.00 61.30 H new ATOM 0 HZ PHE A 39 -2.839 -8.498 0.309 1.00 22.10 H new ATOM 580 N LEU A 40 -0.484 -4.312 7.112 1.00 41.50 N ATOM 581 CA LEU A 40 0.309 -4.115 8.320 1.00 31.10 C ATOM 582 C LEU A 40 -0.562 -4.224 9.567 1.00 22.30 C ATOM 583 O LEU A 40 -0.168 -4.834 10.561 1.00 34.40 O ATOM 584 CB LEU A 40 1.001 -2.751 8.285 1.00 70.10 C ATOM 585 CG LEU A 40 1.778 -2.452 7.002 1.00 43.30 C ATOM 586 CD1 LEU A 40 2.475 -1.104 7.103 1.00 1.44 C ATOM 587 CD2 LEU A 40 2.785 -3.556 6.721 1.00 61.30 C ATOM 0 H LEU A 40 -0.471 -3.523 6.466 1.00 41.50 H new ATOM 0 HA LEU A 40 1.066 -4.898 8.358 1.00 31.10 H new ATOM 0 HB2 LEU A 40 0.248 -1.975 8.425 1.00 70.10 H new ATOM 0 HB3 LEU A 40 1.686 -2.687 9.130 1.00 70.10 H new ATOM 0 HG LEU A 40 1.072 -2.411 6.172 1.00 43.30 H new ATOM 0 HD11 LEU A 40 3.023 -0.908 6.181 1.00 1.44 H new ATOM 0 HD12 LEU A 40 1.732 -0.321 7.257 1.00 1.44 H new ATOM 0 HD13 LEU A 40 3.170 -1.116 7.943 1.00 1.44 H new ATOM 0 HD21 LEU A 40 3.329 -3.327 5.805 1.00 61.30 H new ATOM 0 HD22 LEU A 40 3.487 -3.628 7.552 1.00 61.30 H new ATOM 0 HD23 LEU A 40 2.262 -4.505 6.605 1.00 61.30 H new ATOM 599 N HIS A 41 -1.750 -3.630 9.507 1.00 24.30 N ATOM 600 CA HIS A 41 -2.678 -3.661 10.631 1.00 32.50 C ATOM 601 C HIS A 41 -3.079 -5.094 10.967 1.00 50.30 C ATOM 602 O HIS A 41 -3.344 -5.420 12.124 1.00 13.10 O ATOM 603 CB HIS A 41 -3.923 -2.832 10.314 1.00 24.30 C ATOM 604 CG HIS A 41 -4.491 -2.125 11.505 1.00 61.20 C ATOM 605 ND1 HIS A 41 -5.757 -2.370 11.994 1.00 10.30 N ATOM 606 CD2 HIS A 41 -3.958 -1.175 12.310 1.00 32.20 C ATOM 607 CE1 HIS A 41 -5.979 -1.601 13.045 1.00 65.10 C ATOM 608 NE2 HIS A 41 -4.902 -0.867 13.258 1.00 52.50 N ATOM 0 H HIS A 41 -2.092 -3.122 8.692 1.00 24.30 H new ATOM 0 HA HIS A 41 -2.175 -3.232 11.497 1.00 32.50 H new ATOM 0 HB2 HIS A 41 -3.674 -2.096 9.549 1.00 24.30 H new ATOM 0 HB3 HIS A 41 -4.686 -3.485 9.891 1.00 24.30 H new ATOM 0 HD2 HIS A 41 -2.973 -0.740 12.222 1.00 32.20 H new ATOM 0 HE1 HIS A 41 -6.886 -1.577 13.630 1.00 65.10 H new ATOM 0 HE2 HIS A 41 -4.790 -0.182 14.006 1.00 52.50 H new ATOM 617 N ALA A 42 -3.121 -5.945 9.947 1.00 42.30 N ATOM 618 CA ALA A 42 -3.489 -7.343 10.134 1.00 1.31 C ATOM 619 C ALA A 42 -2.381 -8.113 10.845 1.00 74.00 C ATOM 620 O ALA A 42 -2.646 -9.062 11.583 1.00 31.00 O ATOM 621 CB ALA A 42 -3.806 -7.989 8.793 1.00 22.40 C ATOM 0 H ALA A 42 -2.905 -5.691 8.983 1.00 42.30 H new ATOM 0 HA ALA A 42 -4.379 -7.377 10.762 1.00 1.31 H new ATOM 0 HB1 ALA A 42 -4.079 -9.033 8.948 1.00 22.40 H new ATOM 0 HB2 ALA A 42 -4.636 -7.462 8.323 1.00 22.40 H new ATOM 0 HB3 ALA A 42 -2.930 -7.935 8.147 1.00 22.40 H new ATOM 627 N ILE A 43 -1.139 -7.698 10.617 1.00 31.10 N ATOM 628 CA ILE A 43 0.009 -8.349 11.236 1.00 14.50 C ATOM 629 C ILE A 43 0.109 -7.995 12.716 1.00 31.30 C ATOM 630 O ILE A 43 0.266 -8.872 13.565 1.00 4.42 O ATOM 631 CB ILE A 43 1.324 -7.956 10.535 1.00 52.40 C ATOM 632 CG1 ILE A 43 1.198 -8.144 9.022 1.00 10.50 C ATOM 633 CG2 ILE A 43 2.483 -8.777 11.082 1.00 62.40 C ATOM 634 CD1 ILE A 43 2.215 -7.353 8.228 1.00 20.20 C ATOM 0 H ILE A 43 -0.902 -6.914 10.008 1.00 31.10 H new ATOM 0 HA ILE A 43 -0.142 -9.423 11.131 1.00 14.50 H new ATOM 0 HB ILE A 43 1.524 -6.903 10.736 1.00 52.40 H new ATOM 0 HG12 ILE A 43 1.307 -9.202 8.785 1.00 10.50 H new ATOM 0 HG13 ILE A 43 0.196 -7.849 8.710 1.00 10.50 H new ATOM 0 HG21 ILE A 43 3.404 -8.487 10.577 1.00 62.40 H new ATOM 0 HG22 ILE A 43 2.584 -8.596 12.152 1.00 62.40 H new ATOM 0 HG23 ILE A 43 2.292 -9.836 10.909 1.00 62.40 H new ATOM 0 HD11 ILE A 43 2.067 -7.534 7.164 1.00 20.20 H new ATOM 0 HD12 ILE A 43 2.092 -6.290 8.436 1.00 20.20 H new ATOM 0 HD13 ILE A 43 3.220 -7.664 8.512 1.00 20.20 H new ATOM 646 N LYS A 44 0.017 -6.704 13.018 1.00 63.10 N ATOM 647 CA LYS A 44 0.097 -6.234 14.397 1.00 71.50 C ATOM 648 C LYS A 44 -1.078 -6.755 15.218 1.00 13.00 C ATOM 649 O LYS A 44 -0.929 -7.079 16.396 1.00 54.20 O ATOM 650 CB LYS A 44 0.125 -4.705 14.436 1.00 40.10 C ATOM 651 CG LYS A 44 -1.000 -4.056 13.646 1.00 63.10 C ATOM 652 CD LYS A 44 -1.205 -2.607 14.057 1.00 52.40 C ATOM 653 CE LYS A 44 -1.703 -2.499 15.490 1.00 23.40 C ATOM 654 NZ LYS A 44 -0.606 -2.149 16.434 1.00 63.10 N ATOM 0 H LYS A 44 -0.113 -5.965 12.327 1.00 63.10 H new ATOM 0 HA LYS A 44 1.019 -6.618 14.833 1.00 71.50 H new ATOM 0 HB2 LYS A 44 0.067 -4.375 15.473 1.00 40.10 H new ATOM 0 HB3 LYS A 44 1.081 -4.357 14.044 1.00 40.10 H new ATOM 0 HG2 LYS A 44 -0.773 -4.105 12.581 1.00 63.10 H new ATOM 0 HG3 LYS A 44 -1.924 -4.614 13.801 1.00 63.10 H new ATOM 0 HD2 LYS A 44 -0.266 -2.063 13.955 1.00 52.40 H new ATOM 0 HD3 LYS A 44 -1.922 -2.135 13.385 1.00 52.40 H new ATOM 0 HE2 LYS A 44 -2.486 -1.742 15.546 1.00 23.40 H new ATOM 0 HE3 LYS A 44 -2.152 -3.445 15.790 1.00 23.40 H new ATOM 0 HZ1 LYS A 44 -0.668 -2.754 17.278 1.00 63.10 H new ATOM 0 HZ2 LYS A 44 0.312 -2.297 15.969 1.00 63.10 H new ATOM 0 HZ3 LYS A 44 -0.695 -1.152 16.715 1.00 63.10 H new ATOM 668 N TYR A 45 -2.246 -6.832 14.589 1.00 72.10 N ATOM 669 CA TYR A 45 -3.446 -7.313 15.262 1.00 24.40 C ATOM 670 C TYR A 45 -3.354 -8.812 15.532 1.00 40.20 C ATOM 671 O TYR A 45 -3.177 -9.237 16.674 1.00 64.40 O ATOM 672 CB TYR A 45 -4.686 -7.010 14.418 1.00 51.00 C ATOM 673 CG TYR A 45 -5.364 -5.708 14.783 1.00 14.00 C ATOM 674 CD1 TYR A 45 -4.620 -4.564 15.042 1.00 3.51 C ATOM 675 CD2 TYR A 45 -6.748 -5.625 14.868 1.00 41.10 C ATOM 676 CE1 TYR A 45 -5.236 -3.373 15.376 1.00 45.10 C ATOM 677 CE2 TYR A 45 -7.372 -4.437 15.201 1.00 11.10 C ATOM 678 CZ TYR A 45 -6.612 -3.315 15.454 1.00 73.30 C ATOM 679 OH TYR A 45 -7.229 -2.130 15.786 1.00 74.20 O ATOM 0 H TYR A 45 -2.387 -6.567 13.614 1.00 72.10 H new ATOM 0 HA TYR A 45 -3.530 -6.794 16.217 1.00 24.40 H new ATOM 0 HB2 TYR A 45 -4.401 -6.979 13.366 1.00 51.00 H new ATOM 0 HB3 TYR A 45 -5.400 -7.826 14.531 1.00 51.00 H new ATOM 0 HD1 TYR A 45 -3.543 -4.606 14.981 1.00 3.51 H new ATOM 0 HD2 TYR A 45 -7.346 -6.502 14.671 1.00 41.10 H new ATOM 0 HE1 TYR A 45 -4.643 -2.492 15.575 1.00 45.10 H new ATOM 0 HE2 TYR A 45 -8.449 -4.388 15.263 1.00 11.10 H new ATOM 0 HH TYR A 45 -8.200 -2.259 15.796 1.00 74.20 H new ATOM 689 N GLU A 46 -3.476 -9.607 14.475 1.00 11.50 N ATOM 690 CA GLU A 46 -3.407 -11.050 14.598 1.00 31.30 C ATOM 691 C GLU A 46 -2.451 -11.640 13.566 1.00 4.11 C ATOM 692 O GLU A 46 -2.747 -11.660 12.371 1.00 0.24 O ATOM 693 CB GLU A 46 -4.798 -11.670 14.431 1.00 50.40 C ATOM 694 CG GLU A 46 -5.783 -11.250 15.509 1.00 71.10 C ATOM 695 CD GLU A 46 -7.168 -10.970 14.958 1.00 32.20 C ATOM 696 OE1 GLU A 46 -7.679 -11.810 14.188 1.00 42.50 O ATOM 697 OE2 GLU A 46 -7.743 -9.920 15.295 1.00 61.30 O ATOM 0 H GLU A 46 -3.623 -9.271 13.523 1.00 11.50 H new ATOM 0 HA GLU A 46 -3.031 -11.283 15.594 1.00 31.30 H new ATOM 0 HB2 GLU A 46 -5.197 -11.390 13.456 1.00 50.40 H new ATOM 0 HB3 GLU A 46 -4.706 -12.756 14.437 1.00 50.40 H new ATOM 0 HG2 GLU A 46 -5.848 -12.035 16.262 1.00 71.10 H new ATOM 0 HG3 GLU A 46 -5.408 -10.358 16.010 1.00 71.10 H new ATOM 704 N ALA A 47 -1.305 -12.120 14.035 1.00 33.50 N ATOM 705 CA ALA A 47 -0.306 -12.710 13.152 1.00 40.20 C ATOM 706 C ALA A 47 -0.251 -14.230 13.319 1.00 42.40 C ATOM 707 O ALA A 47 -0.795 -14.780 14.278 1.00 70.50 O ATOM 708 CB ALA A 47 1.061 -12.100 13.420 1.00 72.00 C ATOM 0 H ALA A 47 -1.045 -12.112 15.021 1.00 33.50 H new ATOM 0 HA ALA A 47 -0.594 -12.493 12.123 1.00 40.20 H new ATOM 0 HB1 ALA A 47 1.797 -12.550 12.754 1.00 72.00 H new ATOM 0 HB2 ALA A 47 1.021 -11.025 13.244 1.00 72.00 H new ATOM 0 HB3 ALA A 47 1.346 -12.287 14.455 1.00 72.00 H new ATOM 714 N HIS A 48 0.409 -14.900 12.381 1.00 75.40 N ATOM 715 CA HIS A 48 0.535 -16.350 12.425 1.00 32.10 C ATOM 716 C HIS A 48 1.913 -16.760 12.933 1.00 22.30 C ATOM 717 O HIS A 48 2.035 -17.390 13.983 1.00 25.20 O ATOM 718 CB HIS A 48 0.291 -16.950 11.037 1.00 35.10 C ATOM 719 CG HIS A 48 -1.153 -16.970 10.642 1.00 43.10 C ATOM 720 ND1 HIS A 48 -1.900 -18.130 10.594 1.00 23.40 N ATOM 721 CD2 HIS A 48 -1.989 -15.970 10.276 1.00 12.40 C ATOM 722 CE1 HIS A 48 -3.133 -17.840 10.214 1.00 40.20 C ATOM 723 NE2 HIS A 48 -3.212 -16.540 10.016 1.00 32.10 N ATOM 0 H HIS A 48 0.865 -14.461 11.581 1.00 75.40 H new ATOM 0 HA HIS A 48 -0.217 -16.733 13.115 1.00 32.10 H new ATOM 0 HB2 HIS A 48 0.854 -16.379 10.299 1.00 35.10 H new ATOM 0 HB3 HIS A 48 0.680 -17.968 11.016 1.00 35.10 H new ATOM 0 HD2 HIS A 48 -1.741 -14.921 10.202 1.00 12.40 H new ATOM 0 HE1 HIS A 48 -3.938 -18.548 10.087 1.00 40.20 H new ATOM 0 HE2 HIS A 48 -4.048 -16.037 9.717 1.00 32.10 H new ATOM 732 N SER A 49 2.947 -16.400 12.180 1.00 41.20 N ATOM 733 CA SER A 49 4.317 -16.730 12.555 1.00 64.30 C ATOM 734 C SER A 49 5.309 -15.790 11.881 1.00 42.20 C ATOM 735 O SER A 49 4.921 -14.920 11.109 1.00 13.40 O ATOM 736 CB SER A 49 4.634 -18.180 12.176 1.00 72.50 C ATOM 737 OG SER A 49 4.354 -19.060 13.250 1.00 51.40 O ATOM 0 H SER A 49 2.862 -15.880 11.307 1.00 41.20 H new ATOM 0 HA SER A 49 4.410 -16.612 13.635 1.00 64.30 H new ATOM 0 HB2 SER A 49 4.047 -18.468 11.303 1.00 72.50 H new ATOM 0 HB3 SER A 49 5.684 -18.265 11.896 1.00 72.50 H new ATOM 0 HG SER A 49 3.572 -18.735 13.744 1.00 51.40 H new ATOM 743 N ASP A 50 6.590 -15.980 12.179 1.00 40.00 N ATOM 744 CA ASP A 50 7.638 -15.140 11.602 1.00 4.31 C ATOM 745 C ASP A 50 7.654 -15.260 10.082 1.00 2.23 C ATOM 746 O ASP A 50 7.889 -14.280 9.375 1.00 3.33 O ATOM 747 CB ASP A 50 9.003 -15.540 12.170 1.00 44.40 C ATOM 748 CG ASP A 50 9.061 -15.410 13.680 1.00 15.30 C ATOM 749 OD1 ASP A 50 8.689 -14.330 14.197 1.00 72.10 O ATOM 750 OD2 ASP A 50 9.477 -16.380 14.345 1.00 42.40 O ATOM 0 H ASP A 50 6.928 -16.704 12.813 1.00 40.00 H new ATOM 0 HA ASP A 50 7.428 -14.103 11.864 1.00 4.31 H new ATOM 0 HB2 ASP A 50 9.223 -16.570 11.888 1.00 44.40 H new ATOM 0 HB3 ASP A 50 9.777 -14.915 11.724 1.00 44.40 H new ATOM 755 N LYS A 51 7.402 -16.470 9.586 1.00 3.25 N ATOM 756 CA LYS A 51 7.387 -16.720 8.149 1.00 3.52 C ATOM 757 C LYS A 51 6.288 -15.910 7.468 1.00 42.40 C ATOM 758 O LYS A 51 6.550 -15.150 6.533 1.00 50.50 O ATOM 759 CB LYS A 51 7.184 -18.210 7.869 1.00 24.50 C ATOM 760 CG LYS A 51 7.726 -18.650 6.520 1.00 51.10 C ATOM 761 CD LYS A 51 9.134 -19.210 6.643 1.00 21.30 C ATOM 762 CE LYS A 51 9.117 -20.720 6.863 1.00 14.10 C ATOM 763 NZ LYS A 51 10.189 -21.150 7.800 1.00 24.20 N ATOM 0 H LYS A 51 7.206 -17.291 10.159 1.00 3.25 H new ATOM 0 HA LYS A 51 8.350 -16.410 7.743 1.00 3.52 H new ATOM 0 HB2 LYS A 51 7.670 -18.789 8.654 1.00 24.50 H new ATOM 0 HB3 LYS A 51 6.119 -18.439 7.917 1.00 24.50 H new ATOM 0 HG2 LYS A 51 7.068 -19.406 6.091 1.00 51.10 H new ATOM 0 HG3 LYS A 51 7.728 -17.803 5.834 1.00 51.10 H new ATOM 0 HD2 LYS A 51 9.699 -18.979 5.740 1.00 21.30 H new ATOM 0 HD3 LYS A 51 9.648 -18.726 7.473 1.00 21.30 H new ATOM 0 HE2 LYS A 51 8.146 -21.020 7.258 1.00 14.10 H new ATOM 0 HE3 LYS A 51 9.243 -21.229 5.907 1.00 14.10 H new ATOM 0 HZ1 LYS A 51 10.147 -22.182 7.926 1.00 24.20 H new ATOM 0 HZ2 LYS A 51 11.117 -20.886 7.411 1.00 24.20 H new ATOM 0 HZ3 LYS A 51 10.054 -20.683 8.720 1.00 24.20 H new ATOM 777 N ALA A 52 5.058 -16.070 7.945 1.00 71.50 N ATOM 778 CA ALA A 52 3.920 -15.350 7.383 1.00 51.30 C ATOM 779 C ALA A 52 4.110 -13.840 7.500 1.00 51.30 C ATOM 780 O ALA A 52 3.827 -13.100 6.562 1.00 23.40 O ATOM 781 CB ALA A 52 2.634 -15.780 8.074 1.00 43.10 C ATOM 0 H ALA A 52 4.823 -16.691 8.719 1.00 71.50 H new ATOM 0 HA ALA A 52 3.851 -15.597 6.324 1.00 51.30 H new ATOM 0 HB1 ALA A 52 1.792 -15.236 7.646 1.00 43.10 H new ATOM 0 HB2 ALA A 52 2.485 -16.850 7.932 1.00 43.10 H new ATOM 0 HB3 ALA A 52 2.703 -15.562 9.140 1.00 43.10 H new ATOM 787 N LYS A 53 4.590 -13.400 8.657 1.00 53.20 N ATOM 788 CA LYS A 53 4.817 -11.980 8.897 1.00 31.20 C ATOM 789 C LYS A 53 5.824 -11.420 7.900 1.00 44.10 C ATOM 790 O LYS A 53 5.750 -10.250 7.525 1.00 43.10 O ATOM 791 CB LYS A 53 5.316 -11.760 10.326 1.00 34.30 C ATOM 792 CG LYS A 53 4.214 -11.810 11.371 1.00 30.50 C ATOM 793 CD LYS A 53 4.512 -10.900 12.545 1.00 22.30 C ATOM 794 CE LYS A 53 5.528 -11.520 13.492 1.00 1.43 C ATOM 795 NZ LYS A 53 5.275 -11.130 14.908 1.00 45.10 N ATOM 0 H LYS A 53 4.829 -14.005 9.443 1.00 53.20 H new ATOM 0 HA LYS A 53 3.871 -11.454 8.766 1.00 31.20 H new ATOM 0 HB2 LYS A 53 6.063 -12.518 10.562 1.00 34.30 H new ATOM 0 HB3 LYS A 53 5.815 -10.793 10.383 1.00 34.30 H new ATOM 0 HG2 LYS A 53 3.268 -11.518 10.916 1.00 30.50 H new ATOM 0 HG3 LYS A 53 4.095 -12.834 11.725 1.00 30.50 H new ATOM 0 HD2 LYS A 53 4.890 -9.946 12.179 1.00 22.30 H new ATOM 0 HD3 LYS A 53 3.590 -10.691 13.087 1.00 22.30 H new ATOM 0 HE2 LYS A 53 5.493 -12.606 13.402 1.00 1.43 H new ATOM 0 HE3 LYS A 53 6.532 -11.208 13.203 1.00 1.43 H new ATOM 0 HZ1 LYS A 53 5.988 -11.572 15.523 1.00 45.10 H new ATOM 0 HZ2 LYS A 53 5.333 -10.096 14.999 1.00 45.10 H new ATOM 0 HZ3 LYS A 53 4.327 -11.450 15.192 1.00 45.10 H new ATOM 809 N GLU A 54 6.763 -12.250 7.474 1.00 3.14 N ATOM 810 CA GLU A 54 7.784 -11.840 6.521 1.00 22.50 C ATOM 811 C GLU A 54 7.214 -11.770 5.108 1.00 50.50 C ATOM 812 O GLU A 54 7.452 -10.810 4.378 1.00 11.20 O ATOM 813 CB GLU A 54 8.970 -12.800 6.558 1.00 42.30 C ATOM 814 CG GLU A 54 10.314 -12.120 6.352 1.00 21.10 C ATOM 815 CD GLU A 54 11.394 -13.090 5.906 1.00 15.50 C ATOM 816 OE1 GLU A 54 11.951 -13.800 6.771 1.00 65.10 O ATOM 817 OE2 GLU A 54 11.683 -13.140 4.692 1.00 64.30 O ATOM 0 H GLU A 54 6.840 -13.221 7.776 1.00 3.14 H new ATOM 0 HA GLU A 54 8.127 -10.845 6.806 1.00 22.50 H new ATOM 0 HB2 GLU A 54 8.978 -13.317 7.518 1.00 42.30 H new ATOM 0 HB3 GLU A 54 8.835 -13.560 5.788 1.00 42.30 H new ATOM 0 HG2 GLU A 54 10.208 -11.331 5.607 1.00 21.10 H new ATOM 0 HG3 GLU A 54 10.622 -11.641 7.282 1.00 21.10 H new ATOM 824 N SER A 55 6.460 -12.800 4.729 1.00 1.50 N ATOM 825 CA SER A 55 5.855 -12.850 3.403 1.00 52.20 C ATOM 826 C SER A 55 4.911 -11.670 3.186 1.00 74.00 C ATOM 827 O SER A 55 4.913 -11.050 2.123 1.00 32.30 O ATOM 828 CB SER A 55 5.097 -14.170 3.220 1.00 1.23 C ATOM 829 OG SER A 55 4.093 -14.320 4.209 1.00 73.50 O ATOM 0 H SER A 55 6.255 -13.606 5.319 1.00 1.50 H new ATOM 0 HA SER A 55 6.653 -12.789 2.663 1.00 52.20 H new ATOM 0 HB2 SER A 55 4.644 -14.199 2.229 1.00 1.23 H new ATOM 0 HB3 SER A 55 5.795 -15.005 3.276 1.00 1.23 H new ATOM 0 HG SER A 55 4.327 -13.785 4.996 1.00 73.50 H new ATOM 835 N ILE A 56 4.105 -11.370 4.199 1.00 14.40 N ATOM 836 CA ILE A 56 3.156 -10.270 4.118 1.00 10.10 C ATOM 837 C ILE A 56 3.879 -8.932 4.063 1.00 50.20 C ATOM 838 O ILE A 56 3.499 -8.041 3.303 1.00 23.30 O ATOM 839 CB ILE A 56 2.187 -10.270 5.317 1.00 11.30 C ATOM 840 CG1 ILE A 56 1.547 -11.650 5.486 1.00 13.40 C ATOM 841 CG2 ILE A 56 1.117 -9.208 5.137 1.00 33.20 C ATOM 842 CD1 ILE A 56 1.230 -12.000 6.924 1.00 13.30 C ATOM 0 H ILE A 56 4.091 -11.875 5.085 1.00 14.40 H new ATOM 0 HA ILE A 56 2.583 -10.412 3.202 1.00 10.10 H new ATOM 0 HB ILE A 56 2.754 -10.038 6.219 1.00 11.30 H new ATOM 0 HG12 ILE A 56 0.628 -11.689 4.901 1.00 13.40 H new ATOM 0 HG13 ILE A 56 2.218 -12.405 5.077 1.00 13.40 H new ATOM 0 HG21 ILE A 56 0.442 -9.223 5.993 1.00 33.20 H new ATOM 0 HG22 ILE A 56 1.587 -8.227 5.062 1.00 33.20 H new ATOM 0 HG23 ILE A 56 0.553 -9.411 4.227 1.00 33.20 H new ATOM 0 HD11 ILE A 56 0.779 -12.991 6.966 1.00 13.30 H new ATOM 0 HD12 ILE A 56 2.148 -11.994 7.511 1.00 13.30 H new ATOM 0 HD13 ILE A 56 0.534 -11.267 7.332 1.00 13.30 H new ATOM 854 N ARG A 57 4.924 -8.795 4.872 1.00 5.41 N ATOM 855 CA ARG A 57 5.701 -7.561 4.915 1.00 5.34 C ATOM 856 C ARG A 57 6.444 -7.341 3.602 1.00 60.40 C ATOM 857 O ARG A 57 6.453 -6.235 3.061 1.00 14.20 O ATOM 858 CB ARG A 57 6.695 -7.600 6.077 1.00 44.50 C ATOM 859 CG ARG A 57 7.530 -6.337 6.206 1.00 33.20 C ATOM 860 CD ARG A 57 8.882 -6.492 5.530 1.00 43.30 C ATOM 861 NE ARG A 57 9.833 -7.220 6.367 1.00 64.10 N ATOM 862 CZ ARG A 57 10.945 -7.788 5.904 1.00 42.30 C ATOM 863 NH1 ARG A 57 11.249 -7.713 4.615 1.00 52.50 N ATOM 864 NH2 ARG A 57 11.755 -8.431 6.734 1.00 23.40 N ATOM 0 H ARG A 57 5.253 -9.523 5.507 1.00 5.41 H new ATOM 0 HA ARG A 57 5.011 -6.731 5.065 1.00 5.34 H new ATOM 0 HB2 ARG A 57 6.149 -7.761 7.006 1.00 44.50 H new ATOM 0 HB3 ARG A 57 7.360 -8.454 5.947 1.00 44.50 H new ATOM 0 HG2 ARG A 57 6.994 -5.498 5.762 1.00 33.20 H new ATOM 0 HG3 ARG A 57 7.674 -6.101 7.260 1.00 33.20 H new ATOM 0 HD2 ARG A 57 8.756 -7.018 4.584 1.00 43.30 H new ATOM 0 HD3 ARG A 57 9.285 -5.507 5.296 1.00 43.30 H new ATOM 0 HE ARG A 57 9.634 -7.298 7.364 1.00 64.10 H new ATOM 0 HH11 ARG A 57 10.630 -7.218 3.973 1.00 52.50 H new ATOM 0 HH12 ARG A 57 12.102 -8.150 4.266 1.00 52.50 H new ATOM 0 HH21 ARG A 57 11.526 -8.490 7.726 1.00 23.40 H new ATOM 0 HH22 ARG A 57 12.607 -8.866 6.380 1.00 23.40 H new ATOM 878 N ALA A 58 7.064 -8.401 3.093 1.00 22.20 N ATOM 879 CA ALA A 58 7.808 -8.323 1.841 1.00 62.20 C ATOM 880 C ALA A 58 6.922 -7.814 0.709 1.00 60.20 C ATOM 881 O ALA A 58 7.377 -7.080 -0.168 1.00 20.10 O ATOM 882 CB ALA A 58 8.390 -9.683 1.487 1.00 15.50 C ATOM 0 H ALA A 58 7.066 -9.324 3.528 1.00 22.20 H new ATOM 0 HA ALA A 58 8.626 -7.615 1.976 1.00 62.20 H new ATOM 0 HB1 ALA A 58 8.943 -9.610 0.550 1.00 15.50 H new ATOM 0 HB2 ALA A 58 9.063 -10.009 2.281 1.00 15.50 H new ATOM 0 HB3 ALA A 58 7.582 -10.407 1.376 1.00 15.50 H new ATOM 888 N LYS A 59 5.652 -8.205 0.739 1.00 3.00 N ATOM 889 CA LYS A 59 4.699 -7.786 -0.281 1.00 54.20 C ATOM 890 C LYS A 59 4.334 -6.316 -0.107 1.00 52.10 C ATOM 891 O LYS A 59 4.045 -5.619 -1.080 1.00 40.20 O ATOM 892 CB LYS A 59 3.437 -8.649 -0.215 1.00 44.20 C ATOM 893 CG LYS A 59 3.490 -9.872 -1.116 1.00 45.40 C ATOM 894 CD LYS A 59 4.519 -10.870 -0.629 1.00 14.10 C ATOM 895 CE LYS A 59 5.054 -11.720 -1.772 1.00 71.30 C ATOM 896 NZ LYS A 59 6.505 -12.020 -1.614 1.00 23.40 N ATOM 0 H LYS A 59 5.259 -8.812 1.459 1.00 3.00 H new ATOM 0 HA LYS A 59 5.166 -7.914 -1.257 1.00 54.20 H new ATOM 0 HB2 LYS A 59 3.281 -8.972 0.814 1.00 44.20 H new ATOM 0 HB3 LYS A 59 2.576 -8.041 -0.492 1.00 44.20 H new ATOM 0 HG2 LYS A 59 2.509 -10.345 -1.149 1.00 45.40 H new ATOM 0 HG3 LYS A 59 3.730 -9.566 -2.134 1.00 45.40 H new ATOM 0 HD2 LYS A 59 5.343 -10.341 -0.151 1.00 14.10 H new ATOM 0 HD3 LYS A 59 4.073 -11.515 0.128 1.00 14.10 H new ATOM 0 HE2 LYS A 59 4.494 -12.654 -1.822 1.00 71.30 H new ATOM 0 HE3 LYS A 59 4.892 -11.201 -2.716 1.00 71.30 H new ATOM 0 HZ1 LYS A 59 6.829 -12.601 -2.414 1.00 23.40 H new ATOM 0 HZ2 LYS A 59 7.043 -11.130 -1.592 1.00 23.40 H new ATOM 0 HZ3 LYS A 59 6.658 -12.539 -0.726 1.00 23.40 H new ATOM 910 N CYS A 60 4.352 -5.850 1.138 1.00 43.00 N ATOM 911 CA CYS A 60 4.025 -4.461 1.438 1.00 71.20 C ATOM 912 C CYS A 60 5.160 -3.533 1.017 1.00 72.40 C ATOM 913 O CYS A 60 4.923 -2.418 0.553 1.00 34.10 O ATOM 914 CB CYS A 60 3.742 -4.293 2.932 1.00 2.01 C ATOM 915 SG CYS A 60 2.401 -5.338 3.551 1.00 20.40 S ATOM 0 H CYS A 60 4.589 -6.414 1.954 1.00 43.00 H new ATOM 0 HA CYS A 60 3.132 -4.194 0.874 1.00 71.20 H new ATOM 0 HB2 CYS A 60 4.651 -4.517 3.491 1.00 2.01 H new ATOM 0 HB3 CYS A 60 3.496 -3.250 3.129 1.00 2.01 H new ATOM 0 HG CYS A 60 2.630 -6.576 3.225 1.00 20.40 H new ATOM 921 N VAL A 61 6.392 -4.003 1.181 1.00 54.30 N ATOM 922 CA VAL A 61 7.564 -3.216 0.817 1.00 44.30 C ATOM 923 C VAL A 61 7.588 -2.929 -0.680 1.00 54.50 C ATOM 924 O VAL A 61 7.760 -1.785 -1.101 1.00 52.30 O ATOM 925 CB VAL A 61 8.868 -3.934 1.211 1.00 32.40 C ATOM 926 CG1 VAL A 61 10.065 -3.018 1.008 1.00 51.50 C ATOM 927 CG2 VAL A 61 8.796 -4.420 2.651 1.00 4.24 C ATOM 0 H VAL A 61 6.604 -4.924 1.563 1.00 54.30 H new ATOM 0 HA VAL A 61 7.497 -2.276 1.365 1.00 44.30 H new ATOM 0 HB VAL A 61 8.992 -4.803 0.565 1.00 32.40 H new ATOM 0 HG11 VAL A 61 10.977 -3.543 1.292 1.00 51.50 H new ATOM 0 HG12 VAL A 61 10.126 -2.726 -0.040 1.00 51.50 H new ATOM 0 HG13 VAL A 61 9.951 -2.128 1.627 1.00 51.50 H new ATOM 0 HG21 VAL A 61 9.726 -4.925 2.912 1.00 4.24 H new ATOM 0 HG22 VAL A 61 8.647 -3.569 3.315 1.00 4.24 H new ATOM 0 HG23 VAL A 61 7.963 -5.115 2.759 1.00 4.24 H new ATOM 937 N GLN A 62 7.414 -3.975 -1.481 1.00 15.30 N ATOM 938 CA GLN A 62 7.415 -3.836 -2.932 1.00 45.40 C ATOM 939 C GLN A 62 6.263 -2.949 -3.394 1.00 31.40 C ATOM 940 O GLN A 62 6.388 -2.211 -4.371 1.00 31.20 O ATOM 941 CB GLN A 62 7.314 -5.209 -3.598 1.00 53.10 C ATOM 942 CG GLN A 62 8.086 -5.310 -4.904 1.00 24.20 C ATOM 943 CD GLN A 62 7.987 -6.686 -5.534 1.00 42.30 C ATOM 944 OE1 GLN A 62 8.853 -7.537 -5.333 1.00 33.10 O ATOM 945 NE2 GLN A 62 6.928 -6.910 -6.303 1.00 72.10 N ATOM 0 H GLN A 62 7.270 -4.929 -1.149 1.00 15.30 H new ATOM 0 HA GLN A 62 8.354 -3.366 -3.226 1.00 45.40 H new ATOM 0 HB2 GLN A 62 7.684 -5.967 -2.907 1.00 53.10 H new ATOM 0 HB3 GLN A 62 6.265 -5.435 -3.787 1.00 53.10 H new ATOM 0 HG2 GLN A 62 7.707 -4.566 -5.604 1.00 24.20 H new ATOM 0 HG3 GLN A 62 9.134 -5.072 -4.722 1.00 24.20 H new ATOM 0 HE21 GLN A 62 6.234 -6.175 -6.442 1.00 72.10 H new ATOM 0 HE22 GLN A 62 6.808 -7.817 -6.755 1.00 72.10 H new ATOM 954 N TYR A 63 5.142 -3.026 -2.684 1.00 23.40 N ATOM 955 CA TYR A 63 3.968 -2.230 -3.022 1.00 72.10 C ATOM 956 C TYR A 63 4.217 -0.751 -2.746 1.00 54.30 C ATOM 957 O TYR A 63 3.724 0.117 -3.467 1.00 1.11 O ATOM 958 CB TYR A 63 2.753 -2.712 -2.227 1.00 71.40 C ATOM 959 CG TYR A 63 2.011 -3.853 -2.885 1.00 72.10 C ATOM 960 CD1 TYR A 63 1.718 -3.825 -4.243 1.00 21.40 C ATOM 961 CD2 TYR A 63 1.605 -4.959 -2.149 1.00 61.50 C ATOM 962 CE1 TYR A 63 1.041 -4.866 -4.848 1.00 74.30 C ATOM 963 CE2 TYR A 63 0.928 -6.005 -2.747 1.00 24.40 C ATOM 964 CZ TYR A 63 0.648 -5.953 -4.096 1.00 14.30 C ATOM 965 OH TYR A 63 -0.027 -6.992 -4.696 1.00 4.25 O ATOM 0 H TYR A 63 5.022 -3.631 -1.872 1.00 23.40 H new ATOM 0 HA TYR A 63 3.769 -2.354 -4.086 1.00 72.10 H new ATOM 0 HB2 TYR A 63 3.080 -3.026 -1.236 1.00 71.40 H new ATOM 0 HB3 TYR A 63 2.067 -1.877 -2.087 1.00 71.40 H new ATOM 0 HD1 TYR A 63 2.025 -2.975 -4.835 1.00 21.40 H new ATOM 0 HD2 TYR A 63 1.822 -5.002 -1.092 1.00 61.50 H new ATOM 0 HE1 TYR A 63 0.821 -4.829 -5.905 1.00 74.30 H new ATOM 0 HE2 TYR A 63 0.620 -6.858 -2.161 1.00 24.40 H new ATOM 0 HH TYR A 63 -0.230 -7.679 -4.028 1.00 4.25 H new ATOM 975 N LEU A 64 4.985 -0.470 -1.698 1.00 63.20 N ATOM 976 CA LEU A 64 5.299 0.904 -1.327 1.00 74.10 C ATOM 977 C LEU A 64 6.104 1.592 -2.426 1.00 63.40 C ATOM 978 O LEU A 64 5.848 2.747 -2.766 1.00 63.30 O ATOM 979 CB LEU A 64 6.079 0.934 -0.010 1.00 3.23 C ATOM 980 CG LEU A 64 5.229 1.165 1.240 1.00 2.33 C ATOM 981 CD1 LEU A 64 4.599 2.549 1.210 1.00 43.10 C ATOM 982 CD2 LEU A 64 4.157 0.092 1.360 1.00 63.40 C ATOM 0 H LEU A 64 5.401 -1.176 -1.091 1.00 63.20 H new ATOM 0 HA LEU A 64 4.361 1.443 -1.196 1.00 74.10 H new ATOM 0 HB2 LEU A 64 6.612 -0.010 0.101 1.00 3.23 H new ATOM 0 HB3 LEU A 64 6.832 1.720 -0.069 1.00 3.23 H new ATOM 0 HG LEU A 64 5.878 1.103 2.114 1.00 2.33 H new ATOM 0 HD11 LEU A 64 3.998 2.695 2.108 1.00 43.10 H new ATOM 0 HD12 LEU A 64 5.383 3.305 1.172 1.00 43.10 H new ATOM 0 HD13 LEU A 64 3.964 2.640 0.329 1.00 43.10 H new ATOM 0 HD21 LEU A 64 3.561 0.271 2.255 1.00 63.40 H new ATOM 0 HD22 LEU A 64 3.512 0.123 0.482 1.00 63.40 H new ATOM 0 HD23 LEU A 64 4.629 -0.888 1.429 1.00 63.40 H new ATOM 994 N ASP A 65 7.077 0.874 -2.978 1.00 52.10 N ATOM 995 CA ASP A 65 7.918 1.415 -4.039 1.00 62.20 C ATOM 996 C ASP A 65 7.081 1.798 -5.255 1.00 72.30 C ATOM 997 O ASP A 65 7.215 2.897 -5.792 1.00 20.30 O ATOM 998 CB ASP A 65 8.987 0.396 -4.440 1.00 22.20 C ATOM 999 CG ASP A 65 10.188 0.423 -3.515 1.00 73.30 C ATOM 1000 OD1 ASP A 65 10.010 0.176 -2.304 1.00 64.10 O ATOM 1001 OD2 ASP A 65 11.306 0.690 -4.002 1.00 64.20 O ATOM 0 H ASP A 65 7.302 -0.083 -2.708 1.00 52.10 H new ATOM 0 HA ASP A 65 8.406 2.313 -3.660 1.00 62.20 H new ATOM 0 HB2 ASP A 65 8.552 -0.603 -4.437 1.00 22.20 H new ATOM 0 HB3 ASP A 65 9.313 0.598 -5.460 1.00 22.20 H new ATOM 1006 N ARG A 66 6.218 0.883 -5.684 1.00 54.10 N ATOM 1007 CA ARG A 66 5.358 1.125 -6.837 1.00 71.20 C ATOM 1008 C ARG A 66 4.460 2.335 -6.601 1.00 44.50 C ATOM 1009 O ARG A 66 4.294 3.179 -7.483 1.00 32.40 O ATOM 1010 CB ARG A 66 4.504 -0.109 -7.130 1.00 61.20 C ATOM 1011 CG ARG A 66 5.187 -1.121 -8.036 1.00 4.30 C ATOM 1012 CD ARG A 66 4.224 -2.208 -8.483 1.00 54.20 C ATOM 1013 NE ARG A 66 3.266 -1.719 -9.473 1.00 62.20 N ATOM 1014 CZ ARG A 66 2.561 -2.511 -10.270 1.00 21.40 C ATOM 1015 NH1 ARG A 66 2.701 -3.830 -10.210 1.00 10.40 N ATOM 1016 NH2 ARG A 66 1.712 -1.984 -11.140 1.00 12.50 N ATOM 0 H ARG A 66 6.096 -0.032 -5.251 1.00 54.10 H new ATOM 0 HA ARG A 66 5.995 1.330 -7.698 1.00 71.20 H new ATOM 0 HB2 ARG A 66 4.245 -0.593 -6.188 1.00 61.20 H new ATOM 0 HB3 ARG A 66 3.569 0.208 -7.593 1.00 61.20 H new ATOM 0 HG2 ARG A 66 5.594 -0.612 -8.910 1.00 4.30 H new ATOM 0 HG3 ARG A 66 6.028 -1.573 -7.510 1.00 4.30 H new ATOM 0 HD2 ARG A 66 4.788 -3.040 -8.904 1.00 54.20 H new ATOM 0 HD3 ARG A 66 3.686 -2.593 -7.617 1.00 54.20 H new ATOM 0 HE ARG A 66 3.132 -0.711 -9.556 1.00 62.20 H new ATOM 0 HH11 ARG A 66 3.356 -4.244 -9.546 1.00 10.40 H new ATOM 0 HH12 ARG A 66 2.154 -4.430 -10.828 1.00 10.40 H new ATOM 0 HH21 ARG A 66 1.602 -0.972 -11.196 1.00 12.50 H new ATOM 0 HH22 ARG A 66 1.169 -2.591 -11.754 1.00 12.50 H new ATOM 1030 N ALA A 67 3.884 2.414 -5.406 1.00 22.30 N ATOM 1031 CA ALA A 67 3.003 3.522 -5.053 1.00 41.20 C ATOM 1032 C ALA A 67 3.719 4.860 -5.196 1.00 2.20 C ATOM 1033 O ALA A 67 3.174 5.811 -5.756 1.00 10.30 O ATOM 1034 CB ALA A 67 2.482 3.349 -3.634 1.00 22.30 C ATOM 0 H ALA A 67 4.011 1.724 -4.666 1.00 22.30 H new ATOM 0 HA ALA A 67 2.159 3.517 -5.742 1.00 41.20 H new ATOM 0 HB1 ALA A 67 1.826 4.182 -3.383 1.00 22.30 H new ATOM 0 HB2 ALA A 67 1.925 2.415 -3.562 1.00 22.30 H new ATOM 0 HB3 ALA A 67 3.321 3.326 -2.939 1.00 22.30 H new ATOM 1040 N GLU A 68 4.947 4.924 -4.690 1.00 0.45 N ATOM 1041 CA GLU A 68 5.743 6.144 -4.763 1.00 5.12 C ATOM 1042 C GLU A 68 5.919 6.587 -6.213 1.00 32.00 C ATOM 1043 O GLU A 68 5.964 7.782 -6.507 1.00 43.50 O ATOM 1044 CB GLU A 68 7.111 5.920 -4.110 1.00 21.40 C ATOM 1045 CG GLU A 68 8.100 7.051 -4.347 1.00 24.30 C ATOM 1046 CD GLU A 68 9.229 7.060 -3.335 1.00 62.10 C ATOM 1047 OE1 GLU A 68 10.241 6.366 -3.569 1.00 44.50 O ATOM 1048 OE2 GLU A 68 9.102 7.762 -2.310 1.00 4.41 O ATOM 0 H GLU A 68 5.412 4.145 -4.225 1.00 0.45 H new ATOM 0 HA GLU A 68 5.217 6.932 -4.224 1.00 5.12 H new ATOM 0 HB2 GLU A 68 6.973 5.790 -3.037 1.00 21.40 H new ATOM 0 HB3 GLU A 68 7.537 4.992 -4.491 1.00 21.40 H new ATOM 0 HG2 GLU A 68 8.517 6.960 -5.350 1.00 24.30 H new ATOM 0 HG3 GLU A 68 7.573 8.004 -4.306 1.00 24.30 H new ATOM 1055 N LYS A 69 6.021 5.616 -7.112 1.00 30.50 N ATOM 1056 CA LYS A 69 6.194 5.902 -8.531 1.00 63.10 C ATOM 1057 C LYS A 69 4.864 6.265 -9.183 1.00 53.10 C ATOM 1058 O LYS A 69 4.823 7.030 -10.140 1.00 3.03 O ATOM 1059 CB LYS A 69 6.813 4.696 -9.239 1.00 12.40 C ATOM 1060 CG LYS A 69 7.056 4.919 -10.720 1.00 65.00 C ATOM 1061 CD LYS A 69 8.489 5.346 -10.990 1.00 14.10 C ATOM 1062 CE LYS A 69 8.726 6.793 -10.590 1.00 63.20 C ATOM 1063 NZ LYS A 69 9.898 7.381 -11.290 1.00 64.20 N ATOM 0 H LYS A 69 5.987 4.623 -6.883 1.00 30.50 H new ATOM 0 HA LYS A 69 6.864 6.756 -8.626 1.00 63.10 H new ATOM 0 HB2 LYS A 69 7.759 4.449 -8.757 1.00 12.40 H new ATOM 0 HB3 LYS A 69 6.157 3.835 -9.113 1.00 12.40 H new ATOM 0 HG2 LYS A 69 6.839 4.002 -11.268 1.00 65.00 H new ATOM 0 HG3 LYS A 69 6.372 5.682 -11.091 1.00 65.00 H new ATOM 0 HD2 LYS A 69 9.172 4.699 -10.439 1.00 14.10 H new ATOM 0 HD3 LYS A 69 8.714 5.219 -12.049 1.00 14.10 H new ATOM 0 HE2 LYS A 69 7.837 7.381 -10.816 1.00 63.20 H new ATOM 0 HE3 LYS A 69 8.881 6.850 -9.513 1.00 63.20 H new ATOM 0 HZ1 LYS A 69 10.023 8.368 -10.988 1.00 64.20 H new ATOM 0 HZ2 LYS A 69 10.752 6.836 -11.055 1.00 64.20 H new ATOM 0 HZ3 LYS A 69 9.740 7.351 -12.317 1.00 64.20 H new ATOM 1077 N LEU A 70 3.778 5.712 -8.652 1.00 72.00 N ATOM 1078 CA LEU A 70 2.447 5.981 -9.185 1.00 42.10 C ATOM 1079 C LEU A 70 2.073 7.448 -8.999 1.00 63.40 C ATOM 1080 O LEU A 70 1.692 8.127 -9.952 1.00 4.34 O ATOM 1081 CB LEU A 70 1.410 5.088 -8.500 1.00 70.30 C ATOM 1082 CG LEU A 70 1.434 3.620 -8.930 1.00 42.00 C ATOM 1083 CD1 LEU A 70 0.301 2.851 -8.268 1.00 1.42 C ATOM 1084 CD2 LEU A 70 1.344 3.506 -10.440 1.00 5.11 C ATOM 0 H LEU A 70 3.793 5.076 -7.855 1.00 72.00 H new ATOM 0 HA LEU A 70 2.459 5.760 -10.252 1.00 42.10 H new ATOM 0 HB2 LEU A 70 1.566 5.138 -7.422 1.00 70.30 H new ATOM 0 HB3 LEU A 70 0.417 5.492 -8.698 1.00 70.30 H new ATOM 0 HG LEU A 70 2.379 3.183 -8.608 1.00 42.00 H new ATOM 0 HD11 LEU A 70 0.334 1.809 -8.586 1.00 1.42 H new ATOM 0 HD12 LEU A 70 0.410 2.904 -7.185 1.00 1.42 H new ATOM 0 HD13 LEU A 70 -0.654 3.289 -8.558 1.00 1.42 H new ATOM 0 HD21 LEU A 70 1.363 2.455 -10.727 1.00 5.11 H new ATOM 0 HD22 LEU A 70 0.415 3.960 -10.784 1.00 5.11 H new ATOM 0 HD23 LEU A 70 2.190 4.021 -10.895 1.00 5.11 H new ATOM 1096 N LYS A 71 2.186 7.931 -7.766 1.00 33.20 N ATOM 1097 CA LYS A 71 1.861 9.318 -7.455 1.00 0.44 C ATOM 1098 C LYS A 71 2.842 10.270 -8.131 1.00 54.10 C ATOM 1099 O LYS A 71 2.461 11.346 -8.592 1.00 52.50 O ATOM 1100 CB LYS A 71 1.875 9.541 -5.942 1.00 62.30 C ATOM 1101 CG LYS A 71 3.150 9.061 -5.268 1.00 23.20 C ATOM 1102 CD LYS A 71 3.297 9.648 -3.874 1.00 41.20 C ATOM 1103 CE LYS A 71 4.186 10.881 -3.880 1.00 75.30 C ATOM 1104 NZ LYS A 71 4.677 11.219 -2.515 1.00 52.00 N ATOM 0 H LYS A 71 2.500 7.382 -6.966 1.00 33.20 H new ATOM 0 HA LYS A 71 0.861 9.525 -7.835 1.00 0.44 H new ATOM 0 HB2 LYS A 71 1.744 10.604 -5.739 1.00 62.30 H new ATOM 0 HB3 LYS A 71 1.023 9.025 -5.499 1.00 62.30 H new ATOM 0 HG2 LYS A 71 3.143 7.973 -5.207 1.00 23.20 H new ATOM 0 HG3 LYS A 71 4.011 9.341 -5.875 1.00 23.20 H new ATOM 0 HD2 LYS A 71 2.314 9.909 -3.482 1.00 41.20 H new ATOM 0 HD3 LYS A 71 3.718 8.898 -3.205 1.00 41.20 H new ATOM 0 HE2 LYS A 71 5.037 10.712 -4.540 1.00 75.30 H new ATOM 0 HE3 LYS A 71 3.631 11.727 -4.286 1.00 75.30 H new ATOM 0 HZ1 LYS A 71 5.279 12.065 -2.562 1.00 52.00 H new ATOM 0 HZ2 LYS A 71 3.866 11.406 -1.891 1.00 52.00 H new ATOM 0 HZ3 LYS A 71 5.229 10.422 -2.137 1.00 52.00 H new ATOM 1118 N ASP A 72 4.107 9.867 -8.186 1.00 31.00 N ATOM 1119 CA ASP A 72 5.144 10.684 -8.805 1.00 12.30 C ATOM 1120 C ASP A 72 4.909 10.814 -10.300 1.00 21.00 C ATOM 1121 O ASP A 72 5.255 11.828 -10.910 1.00 55.30 O ATOM 1122 CB ASP A 72 6.524 10.079 -8.544 1.00 30.30 C ATOM 1123 CG ASP A 72 7.639 11.094 -8.697 1.00 50.00 C ATOM 1124 OD1 ASP A 72 7.460 12.245 -8.247 1.00 73.20 O ATOM 1125 OD2 ASP A 72 8.691 10.738 -9.268 1.00 71.40 O ATOM 0 H ASP A 72 4.439 8.979 -7.809 1.00 31.00 H new ATOM 0 HA ASP A 72 5.102 11.678 -8.361 1.00 12.30 H new ATOM 0 HB2 ASP A 72 6.551 9.663 -7.537 1.00 30.30 H new ATOM 0 HB3 ASP A 72 6.692 9.252 -9.235 1.00 30.30 H new ATOM 1130 N TYR A 73 4.319 9.782 -10.900 1.00 13.10 N ATOM 1131 CA TYR A 73 4.038 9.782 -12.330 1.00 10.10 C ATOM 1132 C TYR A 73 2.997 10.840 -12.680 1.00 64.10 C ATOM 1133 O TYR A 73 3.212 11.668 -13.560 1.00 12.20 O ATOM 1134 CB TYR A 73 3.550 8.402 -12.770 1.00 21.10 C ATOM 1135 CG TYR A 73 3.274 8.306 -14.260 1.00 70.20 C ATOM 1136 CD1 TYR A 73 4.299 8.049 -15.160 1.00 52.50 C ATOM 1137 CD2 TYR A 73 1.987 8.472 -14.750 1.00 2.24 C ATOM 1138 CE1 TYR A 73 4.050 7.961 -16.510 1.00 73.30 C ATOM 1139 CE2 TYR A 73 1.730 8.384 -16.110 1.00 73.40 C ATOM 1140 CZ TYR A 73 2.765 8.129 -16.980 1.00 24.00 C ATOM 1141 OH TYR A 73 2.513 8.042 -18.330 1.00 70.40 O ATOM 0 H TYR A 73 4.026 8.934 -10.415 1.00 13.10 H new ATOM 0 HA TYR A 73 4.961 10.020 -12.859 1.00 10.10 H new ATOM 0 HB2 TYR A 73 4.298 7.657 -12.498 1.00 21.10 H new ATOM 0 HB3 TYR A 73 2.640 8.155 -12.223 1.00 21.10 H new ATOM 0 HD1 TYR A 73 5.307 7.916 -14.795 1.00 52.50 H new ATOM 0 HD2 TYR A 73 1.176 8.672 -14.065 1.00 2.24 H new ATOM 0 HE1 TYR A 73 4.858 7.761 -17.199 1.00 73.30 H new ATOM 0 HE2 TYR A 73 0.725 8.515 -16.483 1.00 73.40 H new ATOM 0 HH TYR A 73 1.557 8.184 -18.494 1.00 70.40 H new ATOM 1151 N LEU A 74 1.868 10.806 -11.980 1.00 44.30 N ATOM 1152 CA LEU A 74 0.793 11.762 -12.210 1.00 12.10 C ATOM 1153 C LEU A 74 1.209 13.166 -11.780 1.00 52.40 C ATOM 1154 O LEU A 74 0.973 14.139 -12.500 1.00 41.40 O ATOM 1155 CB LEU A 74 -0.470 11.339 -11.460 1.00 31.40 C ATOM 1156 CG LEU A 74 -1.384 10.375 -12.220 1.00 61.50 C ATOM 1157 CD1 LEU A 74 -2.144 9.485 -11.250 1.00 40.10 C ATOM 1158 CD2 LEU A 74 -2.350 11.146 -13.100 1.00 74.40 C ATOM 0 H LEU A 74 1.674 10.124 -11.247 1.00 44.30 H new ATOM 0 HA LEU A 74 0.581 11.777 -13.279 1.00 12.10 H new ATOM 0 HB2 LEU A 74 -0.176 10.872 -10.520 1.00 31.40 H new ATOM 0 HB3 LEU A 74 -1.040 12.233 -11.207 1.00 31.40 H new ATOM 0 HG LEU A 74 -0.766 9.742 -12.856 1.00 61.50 H new ATOM 0 HD11 LEU A 74 -2.789 8.806 -11.808 1.00 40.10 H new ATOM 0 HD12 LEU A 74 -1.436 8.907 -10.656 1.00 40.10 H new ATOM 0 HD13 LEU A 74 -2.753 10.103 -10.590 1.00 40.10 H new ATOM 0 HD21 LEU A 74 -2.993 10.447 -13.634 1.00 74.40 H new ATOM 0 HD22 LEU A 74 -2.962 11.802 -12.481 1.00 74.40 H new ATOM 0 HD23 LEU A 74 -1.790 11.744 -13.818 1.00 74.40 H new ATOM 1170 N ARG A 75 1.828 13.262 -10.610 1.00 72.20 N ATOM 1171 CA ARG A 75 2.277 14.546 -10.090 1.00 70.30 C ATOM 1172 C ARG A 75 3.326 15.171 -11.000 1.00 72.50 C ATOM 1173 O ARG A 75 3.419 16.393 -11.110 1.00 62.20 O ATOM 1174 CB ARG A 75 2.850 14.375 -8.685 1.00 53.30 C ATOM 1175 CG ARG A 75 2.700 15.611 -7.813 1.00 32.10 C ATOM 1176 CD ARG A 75 3.086 15.324 -6.371 1.00 20.20 C ATOM 1177 NE ARG A 75 4.452 15.748 -6.075 1.00 51.30 N ATOM 1178 CZ ARG A 75 5.103 15.424 -4.960 1.00 31.30 C ATOM 1179 NH1 ARG A 75 4.517 14.674 -4.034 1.00 13.30 N ATOM 1180 NH2 ARG A 75 6.344 15.851 -4.770 1.00 13.10 N ATOM 0 H ARG A 75 2.030 12.467 -10.004 1.00 72.20 H new ATOM 0 HA ARG A 75 1.415 15.212 -10.051 1.00 70.30 H new ATOM 0 HB2 ARG A 75 2.354 13.535 -8.199 1.00 53.30 H new ATOM 0 HB3 ARG A 75 3.907 14.120 -8.761 1.00 53.30 H new ATOM 0 HG2 ARG A 75 3.325 16.413 -8.206 1.00 32.10 H new ATOM 0 HG3 ARG A 75 1.669 15.962 -7.852 1.00 32.10 H new ATOM 0 HD2 ARG A 75 2.395 15.836 -5.702 1.00 20.20 H new ATOM 0 HD3 ARG A 75 2.987 14.256 -6.175 1.00 20.20 H new ATOM 0 HE ARG A 75 4.935 16.326 -6.763 1.00 51.30 H new ATOM 0 HH11 ARG A 75 3.563 14.343 -4.175 1.00 13.30 H new ATOM 0 HH12 ARG A 75 5.021 14.429 -3.182 1.00 13.30 H new ATOM 0 HH21 ARG A 75 6.799 16.427 -5.478 1.00 13.10 H new ATOM 0 HH22 ARG A 75 6.843 15.603 -3.916 1.00 13.10 H new TER 1194 ARG A 75 ATOM 1195 N GLU B 115 10.468 -3.762 9.072 1.00 23.20 N ATOM 1196 CA GLU B 115 9.104 -3.248 9.112 1.00 0.35 C ATOM 1197 C GLU B 115 9.098 -1.724 9.170 1.00 33.30 C ATOM 1198 O GLU B 115 8.186 -1.076 8.656 1.00 70.00 O ATOM 1199 CB GLU B 115 8.356 -3.819 10.318 1.00 74.50 C ATOM 1200 CG GLU B 115 7.847 -5.235 10.103 1.00 62.50 C ATOM 1201 CD GLU B 115 8.924 -6.280 10.322 1.00 71.20 C ATOM 1202 OE1 GLU B 115 9.738 -6.496 9.400 1.00 13.30 O ATOM 1203 OE2 GLU B 115 8.952 -6.883 11.416 1.00 63.00 O ATOM 0 HA GLU B 115 8.598 -3.561 8.199 1.00 0.35 H new ATOM 0 HB2 GLU B 115 9.017 -3.807 11.184 1.00 74.50 H new ATOM 0 HB3 GLU B 115 7.512 -3.170 10.552 1.00 74.50 H new ATOM 0 HG2 GLU B 115 7.017 -5.426 10.783 1.00 62.50 H new ATOM 0 HG3 GLU B 115 7.457 -5.327 9.089 1.00 62.50 H new ATOM 1210 N ASP B 116 10.121 -1.157 9.801 1.00 15.30 N ATOM 1211 CA ASP B 116 10.235 0.292 9.927 1.00 21.10 C ATOM 1212 C ASP B 116 10.534 0.936 8.577 1.00 22.00 C ATOM 1213 O ASP B 116 10.149 2.077 8.324 1.00 12.20 O ATOM 1214 CB ASP B 116 11.331 0.652 10.931 1.00 12.00 C ATOM 1215 CG ASP B 116 10.980 1.876 11.755 1.00 4.23 C ATOM 1216 OD1 ASP B 116 10.584 2.899 11.159 1.00 34.00 O ATOM 1217 OD2 ASP B 116 11.102 1.810 12.996 1.00 75.20 O ATOM 0 H ASP B 116 10.883 -1.679 10.233 1.00 15.30 H new ATOM 0 HA ASP B 116 9.281 0.676 10.287 1.00 21.10 H new ATOM 0 HB2 ASP B 116 11.502 -0.194 11.597 1.00 12.00 H new ATOM 0 HB3 ASP B 116 12.264 0.832 10.397 1.00 12.00 H new ATOM 1222 N GLN B 117 11.223 0.197 7.713 1.00 63.10 N ATOM 1223 CA GLN B 117 11.574 0.697 6.389 1.00 2.45 C ATOM 1224 C GLN B 117 10.325 1.066 5.595 1.00 73.30 C ATOM 1225 O GLN B 117 10.147 2.217 5.197 1.00 72.40 O ATOM 1226 CB GLN B 117 12.387 -0.349 5.624 1.00 1.31 C ATOM 1227 CG GLN B 117 13.388 0.250 4.650 1.00 74.10 C ATOM 1228 CD GLN B 117 14.299 -0.794 4.034 1.00 71.00 C ATOM 1229 OE1 GLN B 117 13.894 -1.539 3.142 1.00 35.40 O ATOM 1230 NE2 GLN B 117 15.538 -0.853 4.509 1.00 35.40 N ATOM 0 H GLN B 117 11.549 -0.750 7.906 1.00 63.10 H new ATOM 0 HA GLN B 117 12.178 1.595 6.518 1.00 2.45 H new ATOM 0 HB2 GLN B 117 12.919 -0.977 6.339 1.00 1.31 H new ATOM 0 HB3 GLN B 117 11.704 -0.998 5.076 1.00 1.31 H new ATOM 0 HG2 GLN B 117 12.851 0.771 3.858 1.00 74.10 H new ATOM 0 HG3 GLN B 117 13.993 0.994 5.168 1.00 74.10 H new ATOM 0 HE21 GLN B 117 15.831 -0.216 5.249 1.00 35.40 H new ATOM 0 HE22 GLN B 117 16.196 -1.536 4.133 1.00 35.40 H new ATOM 1239 N LEU B 118 9.462 0.081 5.368 1.00 41.00 N ATOM 1240 CA LEU B 118 8.229 0.303 4.621 1.00 25.30 C ATOM 1241 C LEU B 118 7.228 1.105 5.447 1.00 11.00 C ATOM 1242 O LEU B 118 6.409 1.844 4.900 1.00 73.40 O ATOM 1243 CB LEU B 118 7.611 -1.034 4.206 1.00 72.20 C ATOM 1244 CG LEU B 118 7.095 -1.897 5.358 1.00 61.30 C ATOM 1245 CD1 LEU B 118 5.872 -2.691 4.925 1.00 41.10 C ATOM 1246 CD2 LEU B 118 8.189 -2.829 5.856 1.00 61.20 C ATOM 0 H LEU B 118 9.593 -0.878 5.690 1.00 41.00 H new ATOM 0 HA LEU B 118 8.475 0.875 3.726 1.00 25.30 H new ATOM 0 HB2 LEU B 118 6.785 -0.838 3.522 1.00 72.20 H new ATOM 0 HB3 LEU B 118 8.356 -1.604 3.651 1.00 72.20 H new ATOM 0 HG LEU B 118 6.804 -1.240 6.177 1.00 61.30 H new ATOM 0 HD11 LEU B 118 5.519 -3.299 5.758 1.00 41.10 H new ATOM 0 HD12 LEU B 118 5.083 -2.005 4.617 1.00 41.10 H new ATOM 0 HD13 LEU B 118 6.136 -3.339 4.089 1.00 41.10 H new ATOM 0 HD21 LEU B 118 7.805 -3.436 6.676 1.00 61.20 H new ATOM 0 HD22 LEU B 118 8.511 -3.480 5.043 1.00 61.20 H new ATOM 0 HD23 LEU B 118 9.037 -2.240 6.207 1.00 61.20 H new ATOM 1258 N SER B 119 7.298 0.954 6.766 1.00 65.30 N ATOM 1259 CA SER B 119 6.397 1.666 7.665 1.00 51.50 C ATOM 1260 C SER B 119 6.562 3.175 7.517 1.00 74.50 C ATOM 1261 O SER B 119 5.584 3.903 7.346 1.00 1.23 O ATOM 1262 CB SER B 119 6.658 1.252 9.115 1.00 10.40 C ATOM 1263 OG SER B 119 5.850 1.995 10.010 1.00 33.40 O ATOM 0 H SER B 119 7.969 0.346 7.235 1.00 65.30 H new ATOM 0 HA SER B 119 5.374 1.403 7.398 1.00 51.50 H new ATOM 0 HB2 SER B 119 6.455 0.188 9.235 1.00 10.40 H new ATOM 0 HB3 SER B 119 7.710 1.405 9.357 1.00 10.40 H new ATOM 0 HG SER B 119 6.034 1.711 10.930 1.00 33.40 H new ATOM 1269 N ARG B 120 7.806 3.639 7.585 1.00 44.20 N ATOM 1270 CA ARG B 120 8.099 5.062 7.458 1.00 5.32 C ATOM 1271 C ARG B 120 7.718 5.574 6.073 1.00 11.20 C ATOM 1272 O ARG B 120 7.168 6.666 5.933 1.00 73.00 O ATOM 1273 CB ARG B 120 9.583 5.324 7.722 1.00 61.30 C ATOM 1274 CG ARG B 120 9.855 6.665 8.383 1.00 13.10 C ATOM 1275 CD ARG B 120 11.335 6.849 8.680 1.00 71.50 C ATOM 1276 NE ARG B 120 12.015 7.604 7.631 1.00 32.10 N ATOM 1277 CZ ARG B 120 13.335 7.760 7.567 1.00 43.50 C ATOM 1278 NH1 ARG B 120 14.120 7.215 8.488 1.00 63.50 N ATOM 1279 NH2 ARG B 120 13.872 8.462 6.578 1.00 73.10 N ATOM 0 H ARG B 120 8.627 3.050 7.727 1.00 44.20 H new ATOM 0 HA ARG B 120 7.506 5.598 8.199 1.00 5.32 H new ATOM 0 HB2 ARG B 120 9.977 4.529 8.356 1.00 61.30 H new ATOM 0 HB3 ARG B 120 10.125 5.277 6.778 1.00 61.30 H new ATOM 0 HG2 ARG B 120 9.510 7.469 7.733 1.00 13.10 H new ATOM 0 HG3 ARG B 120 9.285 6.738 9.309 1.00 13.10 H new ATOM 0 HD2 ARG B 120 11.452 7.366 9.632 1.00 71.50 H new ATOM 0 HD3 ARG B 120 11.807 5.872 8.788 1.00 71.50 H new ATOM 0 HE ARG B 120 11.445 8.037 6.905 1.00 32.10 H new ATOM 0 HH11 ARG B 120 13.712 6.673 9.250 1.00 63.50 H new ATOM 0 HH12 ARG B 120 15.131 7.338 8.434 1.00 63.50 H new ATOM 0 HH21 ARG B 120 13.273 8.882 5.867 1.00 73.10 H new ATOM 0 HH22 ARG B 120 14.884 8.582 6.528 1.00 73.10 H new ATOM 1293 N ARG B 121 8.016 4.778 5.051 1.00 1.14 N ATOM 1294 CA ARG B 121 7.705 5.150 3.676 1.00 33.40 C ATOM 1295 C ARG B 121 6.204 5.353 3.494 1.00 5.00 C ATOM 1296 O ARG B 121 5.771 6.284 2.814 1.00 23.00 O ATOM 1297 CB ARG B 121 8.207 4.077 2.709 1.00 73.40 C ATOM 1298 CG ARG B 121 9.697 4.163 2.425 1.00 64.40 C ATOM 1299 CD ARG B 121 10.227 2.869 1.827 1.00 75.00 C ATOM 1300 NE ARG B 121 11.678 2.897 1.660 1.00 74.40 N ATOM 1301 CZ ARG B 121 12.348 2.069 0.862 1.00 53.40 C ATOM 1302 NH1 ARG B 121 11.702 1.148 0.157 1.00 65.40 N ATOM 1303 NH2 ARG B 121 13.667 2.162 0.768 1.00 50.20 N ATOM 0 H ARG B 121 8.473 3.871 5.149 1.00 1.14 H new ATOM 0 HA ARG B 121 8.210 6.091 3.457 1.00 33.40 H new ATOM 0 HB2 ARG B 121 7.980 3.094 3.121 1.00 73.40 H new ATOM 0 HB3 ARG B 121 7.661 4.162 1.769 1.00 73.40 H new ATOM 0 HG2 ARG B 121 9.891 4.988 1.739 1.00 64.40 H new ATOM 0 HG3 ARG B 121 10.232 4.384 3.349 1.00 64.40 H new ATOM 0 HD2 ARG B 121 9.952 2.033 2.470 1.00 75.00 H new ATOM 0 HD3 ARG B 121 9.754 2.696 0.860 1.00 75.00 H new ATOM 0 HE ARG B 121 12.209 3.592 2.186 1.00 74.40 H new ATOM 0 HH11 ARG B 121 10.687 1.072 0.225 1.00 65.40 H new ATOM 0 HH12 ARG B 121 12.221 0.516 -0.453 1.00 65.40 H new ATOM 0 HH21 ARG B 121 14.168 2.868 1.307 1.00 50.20 H new ATOM 0 HH22 ARG B 121 14.181 1.528 0.156 1.00 50.20 H new ATOM 1317 N LEU B 122 5.415 4.477 4.106 1.00 20.10 N ATOM 1318 CA LEU B 122 3.962 4.560 4.011 1.00 5.43 C ATOM 1319 C LEU B 122 3.452 5.866 4.611 1.00 33.50 C ATOM 1320 O LEU B 122 2.504 6.466 4.103 1.00 1.44 O ATOM 1321 CB LEU B 122 3.314 3.371 4.724 1.00 35.30 C ATOM 1322 CG LEU B 122 2.014 2.869 4.095 1.00 54.40 C ATOM 1323 CD1 LEU B 122 1.606 1.537 4.705 1.00 31.30 C ATOM 1324 CD2 LEU B 122 0.907 3.898 4.269 1.00 42.10 C ATOM 0 H LEU B 122 5.757 3.701 4.673 1.00 20.10 H new ATOM 0 HA LEU B 122 3.690 4.534 2.956 1.00 5.43 H new ATOM 0 HB2 LEU B 122 4.029 2.549 4.749 1.00 35.30 H new ATOM 0 HB3 LEU B 122 3.115 3.652 5.758 1.00 35.30 H new ATOM 0 HG LEU B 122 2.182 2.721 3.028 1.00 54.40 H new ATOM 0 HD11 LEU B 122 0.679 1.195 4.245 1.00 31.30 H new ATOM 0 HD12 LEU B 122 2.391 0.801 4.530 1.00 31.30 H new ATOM 0 HD13 LEU B 122 1.456 1.659 5.778 1.00 31.30 H new ATOM 0 HD21 LEU B 122 -0.011 3.525 3.816 1.00 42.10 H new ATOM 0 HD22 LEU B 122 0.740 4.077 5.331 1.00 42.10 H new ATOM 0 HD23 LEU B 122 1.198 4.830 3.785 1.00 42.10 H new ATOM 1336 N ALA B 123 4.087 6.302 5.694 1.00 45.30 N ATOM 1337 CA ALA B 123 3.698 7.538 6.362 1.00 11.10 C ATOM 1338 C ALA B 123 3.814 8.731 5.420 1.00 24.40 C ATOM 1339 O ALA B 123 2.909 9.562 5.341 1.00 72.40 O ATOM 1340 CB ALA B 123 4.551 7.757 7.602 1.00 31.40 C ATOM 0 H ALA B 123 4.873 5.818 6.127 1.00 45.30 H new ATOM 0 HA ALA B 123 2.654 7.447 6.663 1.00 11.10 H new ATOM 0 HB1 ALA B 123 4.250 8.683 8.091 1.00 31.40 H new ATOM 0 HB2 ALA B 123 4.414 6.922 8.290 1.00 31.40 H new ATOM 0 HB3 ALA B 123 5.600 7.822 7.315 1.00 31.40 H new ATOM 1346 N ALA B 124 4.933 8.809 4.707 1.00 23.20 N ATOM 1347 CA ALA B 124 5.167 9.901 3.770 1.00 64.40 C ATOM 1348 C ALA B 124 4.365 9.704 2.487 1.00 32.10 C ATOM 1349 O ALA B 124 3.954 10.671 1.846 1.00 22.30 O ATOM 1350 CB ALA B 124 6.650 10.016 3.455 1.00 71.30 C ATOM 0 H ALA B 124 5.691 8.129 4.760 1.00 23.20 H new ATOM 0 HA ALA B 124 4.833 10.827 4.238 1.00 64.40 H new ATOM 0 HB1 ALA B 124 6.811 10.835 2.754 1.00 71.30 H new ATOM 0 HB2 ALA B 124 7.203 10.211 4.374 1.00 71.30 H new ATOM 0 HB3 ALA B 124 7.001 9.085 3.011 1.00 71.30 H new ATOM 1356 N LEU B 125 4.147 8.446 2.120 1.00 55.30 N ATOM 1357 CA LEU B 125 3.394 8.122 0.913 1.00 73.30 C ATOM 1358 C LEU B 125 1.976 8.678 0.991 1.00 25.50 C ATOM 1359 O LEU B 125 1.426 9.144 -0.007 1.00 70.50 O ATOM 1360 CB LEU B 125 3.349 6.606 0.707 1.00 3.44 C ATOM 1361 CG LEU B 125 3.386 6.150 -0.753 1.00 30.20 C ATOM 1362 CD1 LEU B 125 2.103 6.544 -1.468 1.00 14.30 C ATOM 1363 CD2 LEU B 125 4.597 6.736 -1.463 1.00 4.52 C ATOM 0 H LEU B 125 4.480 7.634 2.640 1.00 55.30 H new ATOM 0 HA LEU B 125 3.900 8.583 0.064 1.00 73.30 H new ATOM 0 HB2 LEU B 125 4.192 6.158 1.233 1.00 3.44 H new ATOM 0 HB3 LEU B 125 2.442 6.218 1.170 1.00 3.44 H new ATOM 0 HG LEU B 125 3.469 5.063 -0.773 1.00 30.20 H new ATOM 0 HD11 LEU B 125 2.148 6.211 -2.505 1.00 14.30 H new ATOM 0 HD12 LEU B 125 1.252 6.076 -0.973 1.00 14.30 H new ATOM 0 HD13 LEU B 125 1.988 7.628 -1.439 1.00 14.30 H new ATOM 0 HD21 LEU B 125 4.608 6.401 -2.500 1.00 4.52 H new ATOM 0 HD22 LEU B 125 4.545 7.824 -1.433 1.00 4.52 H new ATOM 0 HD23 LEU B 125 5.507 6.403 -0.965 1.00 4.52 H new ATOM 1375 N ARG B 126 1.391 8.627 2.183 1.00 0.05 N ATOM 1376 CA ARG B 126 0.036 9.127 2.391 1.00 61.50 C ATOM 1377 C ARG B 126 0.049 10.620 2.702 1.00 2.13 C ATOM 1378 O ARG B 126 1.048 11.156 3.181 1.00 40.30 O ATOM 1379 CB ARG B 126 -0.642 8.362 3.529 1.00 43.10 C ATOM 1380 CG ARG B 126 0.070 8.500 4.864 1.00 5.25 C ATOM 1381 CD ARG B 126 -0.730 7.867 5.991 1.00 22.20 C ATOM 1382 NE ARG B 126 -1.506 8.856 6.735 1.00 24.20 N ATOM 1383 CZ ARG B 126 -2.004 8.645 7.951 1.00 11.50 C ATOM 1384 NH1 ARG B 126 -1.810 7.484 8.563 1.00 60.00 N ATOM 1385 NH2 ARG B 126 -2.698 9.599 8.557 1.00 43.20 N ATOM 0 H ARG B 126 1.833 8.245 3.019 1.00 0.05 H new ATOM 0 HA ARG B 126 -0.528 8.971 1.471 1.00 61.50 H new ATOM 0 HB2 ARG B 126 -1.667 8.718 3.635 1.00 43.10 H new ATOM 0 HB3 ARG B 126 -0.697 7.306 3.264 1.00 43.10 H new ATOM 0 HG2 ARG B 126 1.051 8.029 4.804 1.00 5.25 H new ATOM 0 HG3 ARG B 126 0.235 9.555 5.082 1.00 5.25 H new ATOM 0 HD2 ARG B 126 -1.402 7.114 5.580 1.00 22.20 H new ATOM 0 HD3 ARG B 126 -0.052 7.352 6.672 1.00 22.20 H new ATOM 0 HE ARG B 126 -1.676 9.761 6.297 1.00 24.20 H new ATOM 0 HH11 ARG B 126 -1.277 6.747 8.102 1.00 60.00 H new ATOM 0 HH12 ARG B 126 -2.194 7.328 9.495 1.00 60.00 H new ATOM 0 HH21 ARG B 126 -2.850 10.494 8.091 1.00 43.20 H new ATOM 0 HH22 ARG B 126 -3.080 9.438 9.489 1.00 43.20 H new ATOM 1399 N ASN B 127 -1.068 11.286 2.427 1.00 42.40 N ATOM 1400 CA ASN B 127 -1.185 12.717 2.678 1.00 34.10 C ATOM 1401 C ASN B 127 -2.563 13.061 3.233 1.00 33.40 C ATOM 1402 O ASN B 127 -2.681 14.095 3.925 1.00 42.30 O ATOM 1403 CB ASN B 127 -0.929 13.505 1.392 1.00 64.20 C ATOM 1404 CG ASN B 127 -1.929 13.172 0.302 1.00 62.40 C ATOM 1405 OD1 ASN B 127 -3.050 13.681 0.295 1.00 45.30 O ATOM 1406 ND2 ASN B 127 -1.528 12.312 -0.627 1.00 42.10 N ATOM 1407 OXT ASN B 127 -3.514 12.295 2.971 1.00 37.40 O ATOM 0 H ASN B 127 -1.904 10.857 2.030 1.00 42.40 H new ATOM 0 HA ASN B 127 -0.435 12.993 3.420 1.00 34.10 H new ATOM 0 HB2 ASN B 127 -0.973 14.572 1.608 1.00 64.20 H new ATOM 0 HB3 ASN B 127 0.079 13.294 1.034 1.00 64.20 H new ATOM 0 HD21 ASN B 127 -2.158 12.049 -1.385 1.00 42.10 H new ATOM 0 HD22 ASN B 127 -0.590 11.914 -0.583 1.00 42.10 H new TER 1414 ASN B 127