USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 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 55 SER OG : rot 180:sc=0.000569 USER MOD Set 1.2: A 59 LYS NZ :NH3+ 172:sc=0.000324 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 30:sc= 0.262 USER MOD Single : A 7 GLN : amide:sc= -0.779 X(o=-0.78,f=-0.34) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 97:sc= 1.15 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.411 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.772 K(o=0.77,f=-0.79) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.294 USER MOD Single : A 33 GLN : amide:sc=-0.00651 K(o=-0.0065,f=-0.98) USER MOD Single : A 34 HIS :FLIP no HE2:sc= -1.09 F(o=-2.3,f=-1.1) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.21 K(o=-0.21,f=-1.2) USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= -1.23 (180deg=-1.65) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.911 K(o=-0.91,f=-2.6) USER MOD Single : A 49 SER OG : rot 180:sc= 0.00836 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -169:sc= 0.479 (180deg=0.374) USER MOD Single : A 60 CYS SG : rot 66:sc= -0.256 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.191 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= -0.406 X(o=-0.41,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -10.130 -8.160 7.959 1.00 62.00 N ATOM 2 CA THR A 5 -8.947 -7.402 7.572 1.00 52.20 C ATOM 3 C THR A 5 -8.270 -8.033 6.360 1.00 71.50 C ATOM 4 O THR A 5 -7.962 -7.350 5.382 1.00 52.30 O ATOM 5 CB THR A 5 -7.961 -7.325 8.738 1.00 41.10 C ATOM 6 OG1 THR A 5 -8.628 -6.964 9.935 1.00 52.30 O ATOM 7 CG2 THR A 5 -6.847 -6.326 8.515 1.00 45.50 C ATOM 0 HA THR A 5 -9.263 -6.393 7.306 1.00 52.20 H new ATOM 0 HB THR A 5 -7.524 -8.321 8.813 1.00 41.10 H new ATOM 0 HG1 THR A 5 -9.550 -7.294 9.908 1.00 52.30 H new ATOM 0 HG21 THR A 5 -6.184 -6.322 9.380 1.00 45.50 H new ATOM 0 HG22 THR A 5 -6.282 -6.604 7.625 1.00 45.50 H new ATOM 0 HG23 THR A 5 -7.272 -5.332 8.379 1.00 45.50 H new ATOM 15 N LEU A 6 -8.041 -9.340 6.430 1.00 23.40 N ATOM 16 CA LEU A 6 -7.400 -10.060 5.338 1.00 4.31 C ATOM 17 C LEU A 6 -8.242 -9.990 4.068 1.00 44.20 C ATOM 18 O LEU A 6 -7.739 -9.653 2.997 1.00 51.20 O ATOM 19 CB LEU A 6 -7.174 -11.520 5.730 1.00 73.50 C ATOM 20 CG LEU A 6 -5.952 -11.770 6.614 1.00 15.20 C ATOM 21 CD1 LEU A 6 -4.670 -11.520 5.838 1.00 13.40 C ATOM 22 CD2 LEU A 6 -6.007 -10.900 7.859 1.00 31.30 C ATOM 0 H LEU A 6 -8.290 -9.921 7.231 1.00 23.40 H new ATOM 0 HA LEU A 6 -6.438 -9.587 5.140 1.00 4.31 H new ATOM 0 HB2 LEU A 6 -8.061 -11.882 6.251 1.00 73.50 H new ATOM 0 HB3 LEU A 6 -7.074 -12.113 4.821 1.00 73.50 H new ATOM 0 HG LEU A 6 -5.962 -12.814 6.927 1.00 15.20 H new ATOM 0 HD11 LEU A 6 -3.812 -11.703 6.484 1.00 13.40 H new ATOM 0 HD12 LEU A 6 -4.628 -12.191 4.980 1.00 13.40 H new ATOM 0 HD13 LEU A 6 -4.650 -10.486 5.492 1.00 13.40 H new ATOM 0 HD21 LEU A 6 -5.129 -11.092 8.476 1.00 31.30 H new ATOM 0 HD22 LEU A 6 -6.024 -9.850 7.568 1.00 31.30 H new ATOM 0 HD23 LEU A 6 -6.908 -11.134 8.427 1.00 31.30 H new ATOM 34 N GLN A 7 -9.526 -10.300 4.197 1.00 52.10 N ATOM 35 CA GLN A 7 -10.430 -10.270 3.059 1.00 1.51 C ATOM 36 C GLN A 7 -10.510 -8.879 2.456 1.00 0.53 C ATOM 37 O GLN A 7 -10.710 -8.721 1.252 1.00 34.10 O ATOM 38 CB GLN A 7 -11.830 -10.730 3.486 1.00 34.40 C ATOM 39 CG GLN A 7 -12.700 -11.190 2.328 1.00 10.40 C ATOM 40 CD GLN A 7 -12.130 -12.390 1.602 1.00 42.20 C ATOM 41 OE1 GLN A 7 -12.420 -13.530 1.939 1.00 52.40 O ATOM 42 NE2 GLN A 7 -11.300 -12.130 0.598 1.00 44.30 N ATOM 0 H GLN A 7 -9.962 -10.574 5.077 1.00 52.10 H new ATOM 0 HA GLN A 7 -10.039 -10.949 2.302 1.00 1.51 H new ATOM 0 HB2 GLN A 7 -11.732 -11.546 4.202 1.00 34.40 H new ATOM 0 HB3 GLN A 7 -12.331 -9.911 4.002 1.00 34.40 H new ATOM 0 HG2 GLN A 7 -13.693 -11.437 2.702 1.00 10.40 H new ATOM 0 HG3 GLN A 7 -12.820 -10.368 1.622 1.00 10.40 H new ATOM 0 HE21 GLN A 7 -11.086 -11.164 0.351 1.00 44.30 H new ATOM 0 HE22 GLN A 7 -10.877 -12.896 0.074 1.00 44.30 H new ATOM 51 N LYS A 8 -10.340 -7.866 3.301 1.00 24.30 N ATOM 52 CA LYS A 8 -10.390 -6.480 2.851 1.00 2.14 C ATOM 53 C LYS A 8 -9.054 -6.056 2.257 1.00 71.00 C ATOM 54 O LYS A 8 -9.006 -5.382 1.228 1.00 22.40 O ATOM 55 CB LYS A 8 -10.760 -5.557 4.013 1.00 11.10 C ATOM 56 CG LYS A 8 -12.260 -5.437 4.241 1.00 54.10 C ATOM 57 CD LYS A 8 -12.840 -4.254 3.488 1.00 21.20 C ATOM 58 CE LYS A 8 -13.460 -4.685 2.166 1.00 60.40 C ATOM 59 NZ LYS A 8 -14.930 -4.870 2.273 1.00 14.00 N ATOM 0 H LYS A 8 -10.167 -7.980 4.300 1.00 24.30 H new ATOM 0 HA LYS A 8 -11.154 -6.402 2.078 1.00 2.14 H new ATOM 0 HB2 LYS A 8 -10.291 -5.928 4.924 1.00 11.10 H new ATOM 0 HB3 LYS A 8 -10.349 -4.565 3.824 1.00 11.10 H new ATOM 0 HG2 LYS A 8 -12.753 -6.354 3.918 1.00 54.10 H new ATOM 0 HG3 LYS A 8 -12.460 -5.326 5.307 1.00 54.10 H new ATOM 0 HD2 LYS A 8 -13.595 -3.764 4.103 1.00 21.20 H new ATOM 0 HD3 LYS A 8 -12.056 -3.520 3.301 1.00 21.20 H new ATOM 0 HE2 LYS A 8 -13.244 -3.937 1.403 1.00 60.40 H new ATOM 0 HE3 LYS A 8 -13.001 -5.617 1.837 1.00 60.40 H new ATOM 0 HZ1 LYS A 8 -15.311 -5.163 1.351 1.00 14.00 H new ATOM 0 HZ2 LYS A 8 -15.137 -5.602 2.982 1.00 14.00 H new ATOM 0 HZ3 LYS A 8 -15.373 -3.974 2.561 1.00 14.00 H new ATOM 73 N ALA A 9 -7.968 -6.455 2.911 1.00 60.30 N ATOM 74 CA ALA A 9 -6.628 -6.116 2.448 1.00 13.10 C ATOM 75 C ALA A 9 -6.379 -6.657 1.044 1.00 2.33 C ATOM 76 O ALA A 9 -5.625 -6.071 0.267 1.00 1.15 O ATOM 77 CB ALA A 9 -5.584 -6.653 3.415 1.00 64.30 C ATOM 0 H ALA A 9 -7.990 -7.014 3.764 1.00 60.30 H new ATOM 0 HA ALA A 9 -6.548 -5.030 2.410 1.00 13.10 H new ATOM 0 HB1 ALA A 9 -4.588 -6.393 3.057 1.00 64.30 H new ATOM 0 HB2 ALA A 9 -5.741 -6.215 4.401 1.00 64.30 H new ATOM 0 HB3 ALA A 9 -5.673 -7.737 3.482 1.00 64.30 H new ATOM 83 N ILE A 10 -7.018 -7.778 0.725 1.00 53.40 N ATOM 84 CA ILE A 10 -6.865 -8.398 -0.586 1.00 63.40 C ATOM 85 C ILE A 10 -7.737 -7.703 -1.627 1.00 51.10 C ATOM 86 O ILE A 10 -7.284 -7.408 -2.733 1.00 54.10 O ATOM 87 CB ILE A 10 -7.227 -9.896 -0.547 1.00 50.50 C ATOM 88 CG1 ILE A 10 -6.476 -10.590 0.587 1.00 41.10 C ATOM 89 CG2 ILE A 10 -6.913 -10.550 -1.882 1.00 71.10 C ATOM 90 CD1 ILE A 10 -7.268 -11.700 1.239 1.00 2.33 C ATOM 0 H ILE A 10 -7.646 -8.275 1.356 1.00 53.40 H new ATOM 0 HA ILE A 10 -5.816 -8.293 -0.864 1.00 63.40 H new ATOM 0 HB ILE A 10 -8.297 -9.995 -0.362 1.00 50.50 H new ATOM 0 HG12 ILE A 10 -5.543 -10.999 0.199 1.00 41.10 H new ATOM 0 HG13 ILE A 10 -6.210 -9.851 1.343 1.00 41.10 H new ATOM 0 HG21 ILE A 10 -7.174 -11.607 -1.839 1.00 71.10 H new ATOM 0 HG22 ILE A 10 -7.490 -10.065 -2.669 1.00 71.10 H new ATOM 0 HG23 ILE A 10 -5.849 -10.447 -2.096 1.00 71.10 H new ATOM 0 HD11 ILE A 10 -6.676 -12.150 2.036 1.00 2.33 H new ATOM 0 HD12 ILE A 10 -8.189 -11.293 1.657 1.00 2.33 H new ATOM 0 HD13 ILE A 10 -7.512 -12.459 0.495 1.00 2.33 H new ATOM 102 N ASP A 11 -8.989 -7.444 -1.265 1.00 34.20 N ATOM 103 CA ASP A 11 -9.925 -6.784 -2.168 1.00 43.40 C ATOM 104 C ASP A 11 -9.414 -5.405 -2.571 1.00 31.40 C ATOM 105 O ASP A 11 -9.683 -4.930 -3.675 1.00 43.20 O ATOM 106 CB ASP A 11 -11.290 -6.658 -1.508 1.00 72.10 C ATOM 107 CG ASP A 11 -12.080 -7.953 -1.557 1.00 72.50 C ATOM 108 OD1 ASP A 11 -11.450 -9.023 -1.703 1.00 50.40 O ATOM 109 OD2 ASP A 11 -13.320 -7.898 -1.448 1.00 65.30 O ATOM 0 H ASP A 11 -9.379 -7.681 -0.353 1.00 34.20 H new ATOM 0 HA ASP A 11 -10.016 -7.393 -3.067 1.00 43.40 H new ATOM 0 HB2 ASP A 11 -11.161 -6.354 -0.469 1.00 72.10 H new ATOM 0 HB3 ASP A 11 -11.858 -5.870 -2.003 1.00 72.10 H new ATOM 114 N LEU A 12 -8.675 -4.765 -1.670 1.00 74.30 N ATOM 115 CA LEU A 12 -8.126 -3.440 -1.933 1.00 30.20 C ATOM 116 C LEU A 12 -6.949 -3.519 -2.901 1.00 11.00 C ATOM 117 O LEU A 12 -6.948 -2.869 -3.946 1.00 11.40 O ATOM 118 CB LEU A 12 -7.686 -2.779 -0.625 1.00 20.20 C ATOM 119 CG LEU A 12 -8.713 -1.833 0.000 1.00 12.20 C ATOM 120 CD1 LEU A 12 -8.878 -0.586 -0.854 1.00 75.30 C ATOM 121 CD2 LEU A 12 -10.040 -2.539 0.179 1.00 14.30 C ATOM 0 H LEU A 12 -8.443 -5.143 -0.751 1.00 74.30 H new ATOM 0 HA LEU A 12 -8.908 -2.835 -2.392 1.00 30.20 H new ATOM 0 HB2 LEU A 12 -7.448 -3.560 0.097 1.00 20.20 H new ATOM 0 HB3 LEU A 12 -6.767 -2.223 -0.808 1.00 20.20 H new ATOM 0 HG LEU A 12 -8.351 -1.528 0.982 1.00 12.20 H new ATOM 0 HD11 LEU A 12 -9.612 0.075 -0.394 1.00 75.30 H new ATOM 0 HD12 LEU A 12 -7.922 -0.069 -0.931 1.00 75.30 H new ATOM 0 HD13 LEU A 12 -9.219 -0.869 -1.850 1.00 75.30 H new ATOM 0 HD21 LEU A 12 -10.760 -1.853 0.625 1.00 14.30 H new ATOM 0 HD22 LEU A 12 -10.409 -2.872 -0.791 1.00 14.30 H new ATOM 0 HD23 LEU A 12 -9.908 -3.401 0.833 1.00 14.30 H new ATOM 133 N VAL A 13 -5.949 -4.318 -2.545 1.00 4.03 N ATOM 134 CA VAL A 13 -4.766 -4.481 -3.381 1.00 13.30 C ATOM 135 C VAL A 13 -5.138 -5.009 -4.764 1.00 52.40 C ATOM 136 O VAL A 13 -4.564 -4.595 -5.771 1.00 42.50 O ATOM 137 CB VAL A 13 -3.747 -5.438 -2.729 1.00 45.10 C ATOM 138 CG1 VAL A 13 -4.341 -6.830 -2.570 1.00 25.50 C ATOM 139 CG2 VAL A 13 -2.462 -5.486 -3.542 1.00 70.10 C ATOM 0 H VAL A 13 -5.934 -4.863 -1.683 1.00 4.03 H new ATOM 0 HA VAL A 13 -4.311 -3.496 -3.485 1.00 13.30 H new ATOM 0 HB VAL A 13 -3.507 -5.058 -1.736 1.00 45.10 H new ATOM 0 HG11 VAL A 13 -3.606 -7.489 -2.108 1.00 25.50 H new ATOM 0 HG12 VAL A 13 -5.228 -6.777 -1.939 1.00 25.50 H new ATOM 0 HG13 VAL A 13 -4.616 -7.222 -3.549 1.00 25.50 H new ATOM 0 HG21 VAL A 13 -1.756 -6.166 -3.066 1.00 70.10 H new ATOM 0 HG22 VAL A 13 -2.682 -5.838 -4.550 1.00 70.10 H new ATOM 0 HG23 VAL A 13 -2.026 -4.488 -3.593 1.00 70.10 H new ATOM 149 N THR A 14 -6.102 -5.923 -4.804 1.00 63.00 N ATOM 150 CA THR A 14 -6.550 -6.506 -6.064 1.00 3.31 C ATOM 151 C THR A 14 -7.077 -5.427 -7.005 1.00 33.50 C ATOM 152 O THR A 14 -6.681 -5.358 -8.169 1.00 22.40 O ATOM 153 CB THR A 14 -7.637 -7.552 -5.808 1.00 42.10 C ATOM 154 OG1 THR A 14 -7.165 -8.561 -4.934 1.00 3.01 O ATOM 155 CG2 THR A 14 -8.124 -8.230 -7.071 1.00 20.50 C ATOM 0 H THR A 14 -6.588 -6.276 -3.979 1.00 63.00 H new ATOM 0 HA THR A 14 -5.695 -6.989 -6.537 1.00 3.31 H new ATOM 0 HB THR A 14 -8.468 -7.003 -5.366 1.00 42.10 H new ATOM 0 HG1 THR A 14 -7.452 -8.361 -4.018 1.00 3.01 H new ATOM 0 HG21 THR A 14 -8.893 -8.960 -6.819 1.00 20.50 H new ATOM 0 HG22 THR A 14 -8.540 -7.483 -7.748 1.00 20.50 H new ATOM 0 HG23 THR A 14 -7.290 -8.736 -7.557 1.00 20.50 H new ATOM 163 N LYS A 15 -7.971 -4.587 -6.493 1.00 22.00 N ATOM 164 CA LYS A 15 -8.551 -3.511 -7.288 1.00 52.50 C ATOM 165 C LYS A 15 -7.472 -2.540 -7.756 1.00 20.20 C ATOM 166 O LYS A 15 -7.581 -1.945 -8.829 1.00 33.50 O ATOM 167 CB LYS A 15 -9.610 -2.764 -6.477 1.00 20.50 C ATOM 168 CG LYS A 15 -10.980 -3.402 -6.542 1.00 45.40 C ATOM 169 CD LYS A 15 -11.760 -2.938 -7.766 1.00 51.20 C ATOM 170 CE LYS A 15 -13.240 -2.776 -7.462 1.00 54.20 C ATOM 171 NZ LYS A 15 -13.830 -1.615 -8.182 1.00 73.10 N ATOM 0 H LYS A 15 -8.309 -4.631 -5.532 1.00 22.00 H new ATOM 0 HA LYS A 15 -9.022 -3.953 -8.166 1.00 52.50 H new ATOM 0 HB2 LYS A 15 -9.290 -2.713 -5.436 1.00 20.50 H new ATOM 0 HB3 LYS A 15 -9.678 -1.738 -6.840 1.00 20.50 H new ATOM 0 HG2 LYS A 15 -10.876 -4.487 -6.567 1.00 45.40 H new ATOM 0 HG3 LYS A 15 -11.539 -3.156 -5.639 1.00 45.40 H new ATOM 0 HD2 LYS A 15 -11.355 -1.989 -8.117 1.00 51.20 H new ATOM 0 HD3 LYS A 15 -11.631 -3.658 -8.574 1.00 51.20 H new ATOM 0 HE2 LYS A 15 -13.770 -3.686 -7.744 1.00 54.20 H new ATOM 0 HE3 LYS A 15 -13.378 -2.646 -6.389 1.00 54.20 H new ATOM 0 HZ1 LYS A 15 -14.840 -1.539 -7.948 1.00 73.10 H new ATOM 0 HZ2 LYS A 15 -13.341 -0.743 -7.894 1.00 73.10 H new ATOM 0 HZ3 LYS A 15 -13.721 -1.751 -9.207 1.00 73.10 H new ATOM 185 N ALA A 16 -6.432 -2.383 -6.944 1.00 34.50 N ATOM 186 CA ALA A 16 -5.333 -1.484 -7.274 1.00 45.40 C ATOM 187 C ALA A 16 -4.510 -2.027 -8.438 1.00 14.40 C ATOM 188 O ALA A 16 -4.075 -1.274 -9.308 1.00 51.30 O ATOM 189 CB ALA A 16 -4.447 -1.265 -6.057 1.00 43.10 C ATOM 0 H ALA A 16 -6.327 -2.867 -6.052 1.00 34.50 H new ATOM 0 HA ALA A 16 -5.758 -0.527 -7.578 1.00 45.40 H new ATOM 0 HB1 ALA A 16 -3.630 -0.592 -6.318 1.00 43.10 H new ATOM 0 HB2 ALA A 16 -5.036 -0.826 -5.252 1.00 43.10 H new ATOM 0 HB3 ALA A 16 -4.038 -2.220 -5.728 1.00 43.10 H new ATOM 195 N THR A 17 -4.301 -3.340 -8.446 1.00 61.30 N ATOM 196 CA THR A 17 -3.531 -3.984 -9.503 1.00 34.30 C ATOM 197 C THR A 17 -4.180 -3.757 -10.860 1.00 13.30 C ATOM 198 O THR A 17 -3.501 -3.445 -11.840 1.00 12.40 O ATOM 199 CB THR A 17 -3.405 -5.484 -9.229 1.00 20.10 C ATOM 200 OG1 THR A 17 -3.579 -5.758 -7.851 1.00 2.10 O ATOM 201 CG2 THR A 17 -2.069 -6.058 -9.646 1.00 0.34 C ATOM 0 H THR A 17 -4.654 -3.978 -7.733 1.00 61.30 H new ATOM 0 HA THR A 17 -2.536 -3.540 -9.517 1.00 34.30 H new ATOM 0 HB THR A 17 -4.186 -5.954 -9.827 1.00 20.10 H new ATOM 0 HG1 THR A 17 -3.497 -6.722 -7.696 1.00 2.10 H new ATOM 0 HG21 THR A 17 -2.046 -7.125 -9.424 1.00 0.34 H new ATOM 0 HG22 THR A 17 -1.926 -5.907 -10.716 1.00 0.34 H new ATOM 0 HG23 THR A 17 -1.271 -5.556 -9.099 1.00 0.34 H new ATOM 209 N GLU A 18 -5.498 -3.914 -10.920 1.00 31.10 N ATOM 210 CA GLU A 18 -6.240 -3.726 -12.160 1.00 71.10 C ATOM 211 C GLU A 18 -6.127 -2.285 -12.640 1.00 61.10 C ATOM 212 O GLU A 18 -5.973 -2.032 -13.840 1.00 73.10 O ATOM 213 CB GLU A 18 -7.712 -4.095 -11.960 1.00 20.30 C ATOM 214 CG GLU A 18 -7.918 -5.364 -11.150 1.00 42.00 C ATOM 215 CD GLU A 18 -9.294 -5.967 -11.350 1.00 70.10 C ATOM 216 OE1 GLU A 18 -9.884 -5.753 -12.430 1.00 70.40 O ATOM 217 OE2 GLU A 18 -9.783 -6.653 -10.430 1.00 55.20 O ATOM 0 H GLU A 18 -6.076 -4.172 -10.120 1.00 31.10 H new ATOM 0 HA GLU A 18 -5.810 -4.381 -12.918 1.00 71.10 H new ATOM 0 HB2 GLU A 18 -8.220 -3.270 -11.461 1.00 20.30 H new ATOM 0 HB3 GLU A 18 -8.183 -4.216 -12.935 1.00 20.30 H new ATOM 0 HG2 GLU A 18 -7.161 -6.096 -11.430 1.00 42.00 H new ATOM 0 HG3 GLU A 18 -7.772 -5.143 -10.093 1.00 42.00 H new ATOM 224 N GLU A 19 -6.206 -1.343 -11.710 1.00 53.30 N ATOM 225 CA GLU A 19 -6.113 0.074 -12.040 1.00 74.10 C ATOM 226 C GLU A 19 -4.783 0.389 -12.720 1.00 73.30 C ATOM 227 O GLU A 19 -4.748 1.005 -13.780 1.00 33.40 O ATOM 228 CB GLU A 19 -6.270 0.925 -10.780 1.00 75.00 C ATOM 229 CG GLU A 19 -7.695 0.971 -10.250 1.00 2.31 C ATOM 230 CD GLU A 19 -8.694 1.409 -11.300 1.00 65.10 C ATOM 231 OE1 GLU A 19 -9.070 0.572 -12.150 1.00 50.30 O ATOM 232 OE2 GLU A 19 -9.100 2.590 -11.280 1.00 21.10 O ATOM 0 H GLU A 19 -6.335 -1.535 -10.717 1.00 53.30 H new ATOM 0 HA GLU A 19 -6.920 0.313 -12.733 1.00 74.10 H new ATOM 0 HB2 GLU A 19 -5.615 0.532 -10.003 1.00 75.00 H new ATOM 0 HB3 GLU A 19 -5.938 1.941 -10.994 1.00 75.00 H new ATOM 0 HG2 GLU A 19 -7.973 -0.016 -9.879 1.00 2.31 H new ATOM 0 HG3 GLU A 19 -7.741 1.655 -9.402 1.00 2.31 H new ATOM 239 N ASP A 20 -3.690 -0.039 -12.090 1.00 50.50 N ATOM 240 CA ASP A 20 -2.357 0.196 -12.640 1.00 4.15 C ATOM 241 C ASP A 20 -2.228 -0.390 -14.040 1.00 75.50 C ATOM 242 O ASP A 20 -1.469 0.116 -14.870 1.00 52.20 O ATOM 243 CB ASP A 20 -1.295 -0.411 -11.720 1.00 3.12 C ATOM 244 CG ASP A 20 0.088 0.153 -11.980 1.00 30.30 C ATOM 245 OD1 ASP A 20 0.355 0.555 -13.130 1.00 13.50 O ATOM 246 OD2 ASP A 20 0.904 0.191 -11.040 1.00 1.12 O ATOM 0 H ASP A 20 -3.701 -0.546 -11.205 1.00 50.50 H new ATOM 0 HA ASP A 20 -2.204 1.273 -12.707 1.00 4.15 H new ATOM 0 HB2 ASP A 20 -1.570 -0.227 -10.682 1.00 3.12 H new ATOM 0 HB3 ASP A 20 -1.275 -1.492 -11.857 1.00 3.12 H new ATOM 251 N LYS A 21 -2.974 -1.458 -14.300 1.00 20.40 N ATOM 252 CA LYS A 21 -2.943 -2.113 -15.600 1.00 21.50 C ATOM 253 C LYS A 21 -3.843 -1.390 -16.600 1.00 63.00 C ATOM 254 O LYS A 21 -3.618 -1.450 -17.810 1.00 64.30 O ATOM 255 CB LYS A 21 -3.379 -3.574 -15.470 1.00 61.50 C ATOM 256 CG LYS A 21 -2.232 -4.526 -15.170 1.00 70.00 C ATOM 257 CD LYS A 21 -2.705 -5.736 -14.380 1.00 71.20 C ATOM 258 CE LYS A 21 -1.538 -6.610 -13.950 1.00 13.00 C ATOM 259 NZ LYS A 21 -1.987 -7.965 -13.530 1.00 12.20 N ATOM 0 H LYS A 21 -3.608 -1.888 -13.626 1.00 20.40 H new ATOM 0 HA LYS A 21 -1.918 -2.077 -15.970 1.00 21.50 H new ATOM 0 HB2 LYS A 21 -4.123 -3.653 -14.677 1.00 61.50 H new ATOM 0 HB3 LYS A 21 -3.865 -3.883 -16.395 1.00 61.50 H new ATOM 0 HG2 LYS A 21 -1.777 -4.855 -16.104 1.00 70.00 H new ATOM 0 HG3 LYS A 21 -1.460 -4.001 -14.607 1.00 70.00 H new ATOM 0 HD2 LYS A 21 -3.257 -5.405 -13.500 1.00 71.20 H new ATOM 0 HD3 LYS A 21 -3.395 -6.321 -14.987 1.00 71.20 H new ATOM 0 HE2 LYS A 21 -0.829 -6.701 -14.773 1.00 13.00 H new ATOM 0 HE3 LYS A 21 -1.009 -6.131 -13.126 1.00 13.00 H new ATOM 0 HZ1 LYS A 21 -1.163 -8.531 -13.244 1.00 12.20 H new ATOM 0 HZ2 LYS A 21 -2.644 -7.880 -12.728 1.00 12.20 H new ATOM 0 HZ3 LYS A 21 -2.469 -8.433 -14.324 1.00 12.20 H new ATOM 273 N ALA A 22 -4.863 -0.707 -16.090 1.00 54.20 N ATOM 274 CA ALA A 22 -5.795 0.025 -16.940 1.00 54.40 C ATOM 275 C ALA A 22 -5.421 1.502 -17.020 1.00 20.40 C ATOM 276 O ALA A 22 -6.284 2.360 -17.210 1.00 50.10 O ATOM 277 CB ALA A 22 -7.216 -0.131 -16.420 1.00 65.00 C ATOM 0 H ALA A 22 -5.065 -0.645 -15.092 1.00 54.20 H new ATOM 0 HA ALA A 22 -5.737 -0.394 -17.945 1.00 54.40 H new ATOM 0 HB1 ALA A 22 -7.902 0.420 -17.064 1.00 65.00 H new ATOM 0 HB2 ALA A 22 -7.489 -1.186 -16.418 1.00 65.00 H new ATOM 0 HB3 ALA A 22 -7.277 0.261 -15.405 1.00 65.00 H new ATOM 283 N LYS A 23 -4.130 1.791 -16.890 1.00 52.40 N ATOM 284 CA LYS A 23 -3.644 3.165 -16.960 1.00 42.00 C ATOM 285 C LYS A 23 -4.303 4.031 -15.890 1.00 11.20 C ATOM 286 O LYS A 23 -4.585 5.207 -16.110 1.00 53.40 O ATOM 287 CB LYS A 23 -3.910 3.756 -18.340 1.00 42.30 C ATOM 288 CG LYS A 23 -3.544 2.821 -19.480 1.00 31.10 C ATOM 289 CD LYS A 23 -3.424 3.569 -20.800 1.00 13.10 C ATOM 290 CE LYS A 23 -3.411 2.616 -21.980 1.00 1.34 C ATOM 291 NZ LYS A 23 -2.041 2.114 -22.280 1.00 64.30 N ATOM 0 H LYS A 23 -3.402 1.093 -16.736 1.00 52.40 H new ATOM 0 HA LYS A 23 -2.569 3.150 -16.781 1.00 42.00 H new ATOM 0 HB2 LYS A 23 -4.966 4.016 -18.418 1.00 42.30 H new ATOM 0 HB3 LYS A 23 -3.345 4.682 -18.445 1.00 42.30 H new ATOM 0 HG2 LYS A 23 -2.600 2.324 -19.255 1.00 31.10 H new ATOM 0 HG3 LYS A 23 -4.301 2.042 -19.570 1.00 31.10 H new ATOM 0 HD2 LYS A 23 -4.257 4.265 -20.902 1.00 13.10 H new ATOM 0 HD3 LYS A 23 -2.510 4.163 -20.801 1.00 13.10 H new ATOM 0 HE2 LYS A 23 -4.068 1.772 -21.771 1.00 1.34 H new ATOM 0 HE3 LYS A 23 -3.812 3.122 -22.858 1.00 1.34 H new ATOM 0 HZ1 LYS A 23 -2.079 1.466 -23.093 1.00 64.30 H new ATOM 0 HZ2 LYS A 23 -1.419 2.916 -22.505 1.00 64.30 H new ATOM 0 HZ3 LYS A 23 -1.667 1.608 -21.452 1.00 64.30 H new ATOM 305 N ASN A 24 -4.544 3.442 -14.720 1.00 40.40 N ATOM 306 CA ASN A 24 -5.168 4.161 -13.620 1.00 51.10 C ATOM 307 C ASN A 24 -4.233 4.225 -12.410 1.00 1.41 C ATOM 308 O ASN A 24 -4.386 3.468 -11.450 1.00 4.22 O ATOM 309 CB ASN A 24 -6.484 3.489 -13.220 1.00 23.00 C ATOM 310 CG ASN A 24 -7.678 4.089 -13.940 1.00 71.50 C ATOM 311 OD1 ASN A 24 -7.635 4.335 -15.140 1.00 33.20 O ATOM 312 ND2 ASN A 24 -8.753 4.330 -13.190 1.00 43.10 N ATOM 0 H ASN A 24 -4.315 2.470 -14.513 1.00 40.40 H new ATOM 0 HA ASN A 24 -5.373 5.177 -13.957 1.00 51.10 H new ATOM 0 HB2 ASN A 24 -6.427 2.423 -13.441 1.00 23.00 H new ATOM 0 HB3 ASN A 24 -6.626 3.584 -12.143 1.00 23.00 H new ATOM 0 HD21 ASN A 24 -9.588 4.737 -13.611 1.00 43.10 H new ATOM 0 HD22 ASN A 24 -8.741 4.108 -12.195 1.00 43.10 H new ATOM 319 N TYR A 25 -3.266 5.135 -12.470 1.00 34.40 N ATOM 320 CA TYR A 25 -2.305 5.298 -11.380 1.00 45.00 C ATOM 321 C TYR A 25 -2.935 6.036 -10.210 1.00 40.20 C ATOM 322 O TYR A 25 -2.676 5.711 -9.052 1.00 32.10 O ATOM 323 CB TYR A 25 -1.072 6.058 -11.880 1.00 70.50 C ATOM 324 CG TYR A 25 -0.552 5.570 -13.210 1.00 34.30 C ATOM 325 CD1 TYR A 25 -0.020 4.294 -13.340 1.00 41.20 C ATOM 326 CD2 TYR A 25 -0.593 6.386 -14.330 1.00 10.20 C ATOM 327 CE1 TYR A 25 0.457 3.845 -14.560 1.00 35.10 C ATOM 328 CE2 TYR A 25 -0.119 5.943 -15.550 1.00 34.10 C ATOM 329 CZ TYR A 25 0.405 4.673 -15.660 1.00 2.22 C ATOM 330 OH TYR A 25 0.878 4.229 -16.880 1.00 33.30 O ATOM 0 H TYR A 25 -3.126 5.769 -13.257 1.00 34.40 H new ATOM 0 HA TYR A 25 -2.002 4.309 -11.037 1.00 45.00 H new ATOM 0 HB2 TYR A 25 -1.319 7.116 -11.963 1.00 70.50 H new ATOM 0 HB3 TYR A 25 -0.279 5.973 -11.137 1.00 70.50 H new ATOM 0 HD1 TYR A 25 0.022 3.644 -12.479 1.00 41.20 H new ATOM 0 HD2 TYR A 25 -1.001 7.382 -14.248 1.00 10.20 H new ATOM 0 HE1 TYR A 25 0.868 2.850 -14.649 1.00 35.10 H new ATOM 0 HE2 TYR A 25 -0.159 6.590 -16.414 1.00 34.10 H new ATOM 0 HH TYR A 25 0.767 4.935 -17.551 1.00 33.30 H new ATOM 340 N GLU A 26 -3.762 7.030 -10.510 1.00 54.20 N ATOM 341 CA GLU A 26 -4.429 7.814 -9.483 1.00 13.10 C ATOM 342 C GLU A 26 -5.335 6.932 -8.630 1.00 13.20 C ATOM 343 O GLU A 26 -5.432 7.114 -7.417 1.00 3.24 O ATOM 344 CB GLU A 26 -5.246 8.942 -10.110 1.00 73.00 C ATOM 345 CG GLU A 26 -6.237 8.461 -11.160 1.00 14.00 C ATOM 346 CD GLU A 26 -7.200 9.548 -11.590 1.00 3.12 C ATOM 347 OE1 GLU A 26 -6.822 10.737 -11.530 1.00 33.00 O ATOM 348 OE2 GLU A 26 -8.333 9.211 -12.000 1.00 11.40 O ATOM 0 H GLU A 26 -3.987 7.312 -11.464 1.00 54.20 H new ATOM 0 HA GLU A 26 -3.661 8.249 -8.844 1.00 13.10 H new ATOM 0 HB2 GLU A 26 -5.788 9.468 -9.324 1.00 73.00 H new ATOM 0 HB3 GLU A 26 -4.567 9.662 -10.566 1.00 73.00 H new ATOM 0 HG2 GLU A 26 -5.691 8.098 -12.031 1.00 14.00 H new ATOM 0 HG3 GLU A 26 -6.801 7.617 -10.763 1.00 14.00 H new ATOM 355 N GLU A 27 -5.996 5.975 -9.273 1.00 51.40 N ATOM 356 CA GLU A 27 -6.894 5.064 -8.573 1.00 51.20 C ATOM 357 C GLU A 27 -6.118 3.913 -7.942 1.00 21.50 C ATOM 358 O GLU A 27 -6.444 3.459 -6.845 1.00 0.53 O ATOM 359 CB GLU A 27 -7.950 4.516 -9.535 1.00 61.20 C ATOM 360 CG GLU A 27 -9.294 4.250 -8.877 1.00 62.40 C ATOM 361 CD GLU A 27 -10.310 5.330 -9.178 1.00 71.10 C ATOM 362 OE1 GLU A 27 -9.917 6.510 -9.280 1.00 53.30 O ATOM 363 OE2 GLU A 27 -11.510 4.997 -9.312 1.00 53.10 O ATOM 0 H GLU A 27 -5.927 5.810 -10.277 1.00 51.40 H new ATOM 0 HA GLU A 27 -7.390 5.622 -7.779 1.00 51.20 H new ATOM 0 HB2 GLU A 27 -8.089 5.225 -10.351 1.00 61.20 H new ATOM 0 HB3 GLU A 27 -7.582 3.590 -9.976 1.00 61.20 H new ATOM 0 HG2 GLU A 27 -9.678 3.289 -9.218 1.00 62.40 H new ATOM 0 HG3 GLU A 27 -9.158 4.174 -7.798 1.00 62.40 H new ATOM 370 N ALA A 28 -5.090 3.445 -8.642 1.00 63.30 N ATOM 371 CA ALA A 28 -4.267 2.346 -8.150 1.00 13.10 C ATOM 372 C ALA A 28 -3.615 2.702 -6.818 1.00 4.34 C ATOM 373 O ALA A 28 -3.641 1.914 -5.873 1.00 73.00 O ATOM 374 CB ALA A 28 -3.207 1.981 -9.178 1.00 34.00 C ATOM 0 H ALA A 28 -4.807 3.809 -9.552 1.00 63.30 H new ATOM 0 HA ALA A 28 -4.914 1.484 -7.989 1.00 13.10 H new ATOM 0 HB1 ALA A 28 -2.600 1.159 -8.798 1.00 34.00 H new ATOM 0 HB2 ALA A 28 -3.690 1.676 -10.106 1.00 34.00 H new ATOM 0 HB3 ALA A 28 -2.571 2.845 -9.367 1.00 34.00 H new ATOM 380 N LEU A 29 -3.032 3.894 -6.751 1.00 2.31 N ATOM 381 CA LEU A 29 -2.373 4.355 -5.534 1.00 43.30 C ATOM 382 C LEU A 29 -3.359 4.421 -4.373 1.00 60.40 C ATOM 383 O LEU A 29 -3.023 4.076 -3.240 1.00 0.43 O ATOM 384 CB LEU A 29 -1.742 5.730 -5.760 1.00 43.50 C ATOM 385 CG LEU A 29 -0.552 6.054 -4.856 1.00 43.40 C ATOM 386 CD1 LEU A 29 -0.051 7.466 -5.117 1.00 53.40 C ATOM 387 CD2 LEU A 29 -0.934 5.885 -3.393 1.00 54.20 C ATOM 0 H LEU A 29 -3.002 4.558 -7.524 1.00 2.31 H new ATOM 0 HA LEU A 29 -1.590 3.640 -5.282 1.00 43.30 H new ATOM 0 HB2 LEU A 29 -1.418 5.798 -6.799 1.00 43.50 H new ATOM 0 HB3 LEU A 29 -2.507 6.492 -5.614 1.00 43.50 H new ATOM 0 HG LEU A 29 0.254 5.357 -5.085 1.00 43.40 H new ATOM 0 HD11 LEU A 29 0.796 7.678 -4.464 1.00 53.40 H new ATOM 0 HD12 LEU A 29 0.262 7.555 -6.157 1.00 53.40 H new ATOM 0 HD13 LEU A 29 -0.851 8.179 -4.917 1.00 53.40 H new ATOM 0 HD21 LEU A 29 -0.076 6.120 -2.763 1.00 54.20 H new ATOM 0 HD22 LEU A 29 -1.756 6.559 -3.151 1.00 54.20 H new ATOM 0 HD23 LEU A 29 -1.244 4.855 -3.215 1.00 54.20 H new ATOM 399 N ARG A 30 -4.578 4.865 -4.662 1.00 73.20 N ATOM 400 CA ARG A 30 -5.614 4.975 -3.642 1.00 10.30 C ATOM 401 C ARG A 30 -5.910 3.616 -3.017 1.00 21.40 C ATOM 402 O ARG A 30 -5.773 3.434 -1.807 1.00 64.50 O ATOM 403 CB ARG A 30 -6.892 5.562 -4.244 1.00 62.40 C ATOM 404 CG ARG A 30 -6.703 6.947 -4.841 1.00 74.40 C ATOM 405 CD ARG A 30 -6.986 8.037 -3.820 1.00 21.40 C ATOM 406 NE ARG A 30 -7.545 9.236 -4.441 1.00 61.10 N ATOM 407 CZ ARG A 30 -7.587 10.427 -3.847 1.00 71.30 C ATOM 408 NH1 ARG A 30 -7.106 10.582 -2.620 1.00 31.00 N ATOM 409 NH2 ARG A 30 -8.112 11.466 -4.482 1.00 31.30 N ATOM 0 H ARG A 30 -4.872 5.155 -5.595 1.00 73.20 H new ATOM 0 HA ARG A 30 -5.249 5.642 -2.861 1.00 10.30 H new ATOM 0 HB2 ARG A 30 -7.261 4.889 -5.018 1.00 62.40 H new ATOM 0 HB3 ARG A 30 -7.659 5.610 -3.471 1.00 62.40 H new ATOM 0 HG2 ARG A 30 -5.683 7.049 -5.210 1.00 74.40 H new ATOM 0 HG3 ARG A 30 -7.366 7.069 -5.698 1.00 74.40 H new ATOM 0 HD2 ARG A 30 -7.681 7.660 -3.070 1.00 21.40 H new ATOM 0 HD3 ARG A 30 -6.064 8.295 -3.299 1.00 21.40 H new ATOM 0 HE ARG A 30 -7.925 9.156 -5.384 1.00 61.10 H new ATOM 0 HH11 ARG A 30 -6.701 9.786 -2.127 1.00 31.00 H new ATOM 0 HH12 ARG A 30 -7.141 11.497 -2.170 1.00 31.00 H new ATOM 0 HH21 ARG A 30 -8.484 11.353 -5.425 1.00 31.30 H new ATOM 0 HH22 ARG A 30 -8.144 12.378 -4.027 1.00 31.30 H new ATOM 423 N LEU A 31 -6.316 2.663 -3.850 1.00 53.40 N ATOM 424 CA LEU A 31 -6.631 1.320 -3.380 1.00 24.30 C ATOM 425 C LEU A 31 -5.401 0.654 -2.770 1.00 43.20 C ATOM 426 O LEU A 31 -5.514 -0.156 -1.849 1.00 43.40 O ATOM 427 CB LEU A 31 -7.169 0.467 -4.530 1.00 72.50 C ATOM 428 CG LEU A 31 -8.604 0.784 -4.955 1.00 0.22 C ATOM 429 CD1 LEU A 31 -8.785 0.542 -6.446 1.00 61.40 C ATOM 430 CD2 LEU A 31 -9.592 -0.050 -4.154 1.00 44.30 C ATOM 0 H LEU A 31 -6.434 2.797 -4.854 1.00 53.40 H new ATOM 0 HA LEU A 31 -7.397 1.403 -2.609 1.00 24.30 H new ATOM 0 HB2 LEU A 31 -6.515 0.593 -5.393 1.00 72.50 H new ATOM 0 HB3 LEU A 31 -7.116 -0.582 -4.240 1.00 72.50 H new ATOM 0 HG LEU A 31 -8.799 1.837 -4.753 1.00 0.22 H new ATOM 0 HD11 LEU A 31 -9.812 0.773 -6.730 1.00 61.40 H new ATOM 0 HD12 LEU A 31 -8.102 1.182 -7.004 1.00 61.40 H new ATOM 0 HD13 LEU A 31 -8.572 -0.502 -6.674 1.00 61.40 H new ATOM 0 HD21 LEU A 31 -10.608 0.188 -4.469 1.00 44.30 H new ATOM 0 HD22 LEU A 31 -9.397 -1.109 -4.325 1.00 44.30 H new ATOM 0 HD23 LEU A 31 -9.480 0.172 -3.093 1.00 44.30 H new ATOM 442 N TYR A 32 -4.228 1.000 -3.290 1.00 21.40 N ATOM 443 CA TYR A 32 -2.977 0.436 -2.796 1.00 33.30 C ATOM 444 C TYR A 32 -2.701 0.892 -1.367 1.00 34.20 C ATOM 445 O TYR A 32 -2.238 0.112 -0.535 1.00 73.10 O ATOM 446 CB TYR A 32 -1.817 0.842 -3.707 1.00 71.30 C ATOM 447 CG TYR A 32 -1.568 -0.128 -4.840 1.00 41.20 C ATOM 448 CD1 TYR A 32 -1.551 -1.499 -4.616 1.00 62.20 C ATOM 449 CD2 TYR A 32 -1.349 0.328 -6.134 1.00 73.40 C ATOM 450 CE1 TYR A 32 -1.324 -2.388 -5.649 1.00 41.40 C ATOM 451 CE2 TYR A 32 -1.122 -0.555 -7.173 1.00 52.40 C ATOM 452 CZ TYR A 32 -1.110 -1.911 -6.925 1.00 61.20 C ATOM 453 OH TYR A 32 -0.884 -2.794 -7.956 1.00 5.42 O ATOM 0 H TYR A 32 -4.117 1.668 -4.053 1.00 21.40 H new ATOM 0 HA TYR A 32 -3.070 -0.650 -2.799 1.00 33.30 H new ATOM 0 HB2 TYR A 32 -2.021 1.829 -4.123 1.00 71.30 H new ATOM 0 HB3 TYR A 32 -0.910 0.930 -3.109 1.00 71.30 H new ATOM 0 HD1 TYR A 32 -1.718 -1.876 -3.618 1.00 62.20 H new ATOM 0 HD2 TYR A 32 -1.356 1.390 -6.331 1.00 73.40 H new ATOM 0 HE1 TYR A 32 -1.314 -3.451 -5.458 1.00 41.40 H new ATOM 0 HE2 TYR A 32 -0.955 -0.185 -8.174 1.00 52.40 H new ATOM 0 HH TYR A 32 -0.753 -2.296 -8.790 1.00 5.42 H new ATOM 463 N GLN A 33 -2.987 2.160 -1.090 1.00 62.40 N ATOM 464 CA GLN A 33 -2.769 2.720 0.238 1.00 60.10 C ATOM 465 C GLN A 33 -3.590 1.974 1.285 1.00 22.20 C ATOM 466 O GLN A 33 -3.049 1.473 2.271 1.00 34.10 O ATOM 467 CB GLN A 33 -3.131 4.207 0.254 1.00 61.00 C ATOM 468 CG GLN A 33 -2.013 5.110 -0.240 1.00 60.10 C ATOM 469 CD GLN A 33 -2.409 6.574 -0.253 1.00 50.10 C ATOM 470 OE1 GLN A 33 -3.560 6.920 0.014 1.00 55.20 O ATOM 471 NE2 GLN A 33 -1.455 7.442 -0.566 1.00 4.43 N ATOM 0 H GLN A 33 -3.370 2.819 -1.768 1.00 62.40 H new ATOM 0 HA GLN A 33 -1.713 2.608 0.483 1.00 60.10 H new ATOM 0 HB2 GLN A 33 -4.014 4.364 -0.365 1.00 61.00 H new ATOM 0 HB3 GLN A 33 -3.399 4.496 1.270 1.00 61.00 H new ATOM 0 HG2 GLN A 33 -1.138 4.980 0.396 1.00 60.10 H new ATOM 0 HG3 GLN A 33 -1.724 4.807 -1.246 1.00 60.10 H new ATOM 0 HE21 GLN A 33 -0.514 7.111 -0.780 1.00 4.43 H new ATOM 0 HE22 GLN A 33 -1.662 8.440 -0.592 1.00 4.43 H new ATOM 480 N HIS A 34 -4.899 1.905 1.064 1.00 11.30 N ATOM 481 CA HIS A 34 -5.794 1.220 1.989 1.00 51.10 C ATOM 482 C HIS A 34 -5.417 -0.251 2.123 1.00 1.53 C ATOM 483 O HIS A 34 -5.568 -0.847 3.190 1.00 34.00 O ATOM 484 CB HIS A 34 -7.244 1.346 1.515 1.00 63.30 C ATOM 485 CG HIS A 34 -8.227 1.503 2.634 1.00 22.30 C ATOM 486 ND1 HIS A 34 -8.361 0.824 3.798 1.00 35.20 N flip ATOM 487 CD2 HIS A 34 -9.228 2.451 2.629 1.00 54.20 C flip ATOM 488 CE1 HIS A 34 -9.428 1.370 4.467 1.00 5.54 C flip ATOM 489 NE2 HIS A 34 -9.934 2.350 3.741 1.00 41.00 N flip ATOM 0 H HIS A 34 -5.363 2.315 0.253 1.00 11.30 H new ATOM 0 HA HIS A 34 -5.696 1.691 2.967 1.00 51.10 H new ATOM 0 HB2 HIS A 34 -7.326 2.203 0.847 1.00 63.30 H new ATOM 0 HB3 HIS A 34 -7.506 0.462 0.933 1.00 63.30 H new ATOM 0 HD1 HIS A 34 -7.778 0.051 4.118 1.00 35.20 H new ATOM 0 HD2 HIS A 34 -9.407 3.165 1.839 1.00 54.20 H new ATOM 0 HE1 HIS A 34 -9.794 1.050 5.431 1.00 5.54 H new ATOM 498 N ALA A 35 -4.926 -0.833 1.033 1.00 63.10 N ATOM 499 CA ALA A 35 -4.527 -2.235 1.029 1.00 14.30 C ATOM 500 C ALA A 35 -3.430 -2.496 2.055 1.00 22.40 C ATOM 501 O ALA A 35 -3.570 -3.358 2.923 1.00 64.40 O ATOM 502 CB ALA A 35 -4.063 -2.647 -0.360 1.00 64.10 C ATOM 0 H ALA A 35 -4.795 -0.355 0.142 1.00 63.10 H new ATOM 0 HA ALA A 35 -5.394 -2.835 1.303 1.00 14.30 H new ATOM 0 HB1 ALA A 35 -3.768 -3.696 -0.349 1.00 64.10 H new ATOM 0 HB2 ALA A 35 -4.876 -2.506 -1.072 1.00 64.10 H new ATOM 0 HB3 ALA A 35 -3.212 -2.034 -0.656 1.00 64.10 H new ATOM 508 N VAL A 36 -2.337 -1.748 1.949 1.00 4.24 N ATOM 509 CA VAL A 36 -1.215 -1.899 2.867 1.00 72.10 C ATOM 510 C VAL A 36 -1.644 -1.636 4.307 1.00 54.20 C ATOM 511 O VAL A 36 -1.146 -2.268 5.238 1.00 51.20 O ATOM 512 CB VAL A 36 -0.061 -0.945 2.506 1.00 51.50 C ATOM 513 CG1 VAL A 36 1.170 -1.253 3.345 1.00 52.30 C ATOM 514 CG2 VAL A 36 0.261 -1.033 1.022 1.00 65.40 C ATOM 0 H VAL A 36 -2.205 -1.031 1.236 1.00 4.24 H new ATOM 0 HA VAL A 36 -0.868 -2.928 2.775 1.00 72.10 H new ATOM 0 HB VAL A 36 -0.376 0.075 2.726 1.00 51.50 H new ATOM 0 HG11 VAL A 36 1.974 -0.569 3.076 1.00 52.30 H new ATOM 0 HG12 VAL A 36 0.930 -1.133 4.401 1.00 52.30 H new ATOM 0 HG13 VAL A 36 1.489 -2.279 3.160 1.00 52.30 H new ATOM 0 HG21 VAL A 36 1.079 -0.352 0.786 1.00 65.40 H new ATOM 0 HG22 VAL A 36 0.555 -2.053 0.773 1.00 65.40 H new ATOM 0 HG23 VAL A 36 -0.620 -0.757 0.442 1.00 65.40 H new ATOM 524 N GLU A 37 -2.571 -0.700 4.481 1.00 30.00 N ATOM 525 CA GLU A 37 -3.068 -0.354 5.808 1.00 34.10 C ATOM 526 C GLU A 37 -3.708 -1.563 6.482 1.00 61.00 C ATOM 527 O GLU A 37 -3.364 -1.912 7.611 1.00 62.20 O ATOM 528 CB GLU A 37 -4.080 0.789 5.714 1.00 13.30 C ATOM 529 CG GLU A 37 -3.441 2.167 5.674 1.00 74.10 C ATOM 530 CD GLU A 37 -4.338 3.243 6.253 1.00 13.00 C ATOM 531 OE1 GLU A 37 -5.252 2.899 7.032 1.00 72.40 O ATOM 532 OE2 GLU A 37 -4.127 4.431 5.928 1.00 73.30 O ATOM 0 H GLU A 37 -2.993 -0.168 3.720 1.00 30.00 H new ATOM 0 HA GLU A 37 -2.221 -0.031 6.413 1.00 34.10 H new ATOM 0 HB2 GLU A 37 -4.687 0.653 4.819 1.00 13.30 H new ATOM 0 HB3 GLU A 37 -4.756 0.736 6.568 1.00 13.30 H new ATOM 0 HG2 GLU A 37 -2.503 2.144 6.228 1.00 74.10 H new ATOM 0 HG3 GLU A 37 -3.196 2.420 4.642 1.00 74.10 H new ATOM 539 N TYR A 38 -4.643 -2.198 5.781 1.00 50.40 N ATOM 540 CA TYR A 38 -5.332 -3.369 6.312 1.00 11.20 C ATOM 541 C TYR A 38 -4.345 -4.493 6.608 1.00 13.10 C ATOM 542 O TYR A 38 -4.508 -5.237 7.575 1.00 52.40 O ATOM 543 CB TYR A 38 -6.393 -3.853 5.322 1.00 63.50 C ATOM 544 CG TYR A 38 -7.730 -3.166 5.483 1.00 54.20 C ATOM 545 CD1 TYR A 38 -8.398 -3.180 6.702 1.00 3.43 C ATOM 546 CD2 TYR A 38 -8.326 -2.504 4.417 1.00 43.40 C ATOM 547 CE1 TYR A 38 -9.620 -2.554 6.853 1.00 65.30 C ATOM 548 CE2 TYR A 38 -9.548 -1.875 4.560 1.00 44.20 C ATOM 549 CZ TYR A 38 -10.190 -1.903 5.779 1.00 54.30 C ATOM 550 OH TYR A 38 -11.400 -1.278 5.926 1.00 53.20 O ATOM 0 H TYR A 38 -4.940 -1.922 4.845 1.00 50.40 H new ATOM 0 HA TYR A 38 -5.818 -3.083 7.245 1.00 11.20 H new ATOM 0 HB2 TYR A 38 -6.031 -3.691 4.307 1.00 63.50 H new ATOM 0 HB3 TYR A 38 -6.529 -4.927 5.445 1.00 63.50 H new ATOM 0 HD1 TYR A 38 -7.954 -3.689 7.545 1.00 3.43 H new ATOM 0 HD2 TYR A 38 -7.826 -2.481 3.460 1.00 43.40 H new ATOM 0 HE1 TYR A 38 -10.126 -2.574 7.807 1.00 65.30 H new ATOM 0 HE2 TYR A 38 -9.997 -1.364 3.721 1.00 44.20 H new ATOM 0 HH TYR A 38 -11.661 -0.867 5.076 1.00 53.20 H new ATOM 560 N PHE A 39 -3.321 -4.612 5.769 1.00 52.30 N ATOM 561 CA PHE A 39 -2.307 -5.646 5.941 1.00 1.53 C ATOM 562 C PHE A 39 -1.492 -5.402 7.206 1.00 42.20 C ATOM 563 O PHE A 39 -1.156 -6.340 7.930 1.00 55.20 O ATOM 564 CB PHE A 39 -1.382 -5.689 4.724 1.00 41.00 C ATOM 565 CG PHE A 39 -1.875 -6.588 3.626 1.00 41.50 C ATOM 566 CD1 PHE A 39 -2.257 -7.892 3.900 1.00 75.40 C ATOM 567 CD2 PHE A 39 -1.957 -6.129 2.321 1.00 31.20 C ATOM 568 CE1 PHE A 39 -2.712 -8.721 2.892 1.00 62.10 C ATOM 569 CE2 PHE A 39 -2.410 -6.954 1.309 1.00 63.30 C ATOM 570 CZ PHE A 39 -2.788 -8.252 1.595 1.00 13.20 C ATOM 0 H PHE A 39 -3.171 -4.005 4.963 1.00 52.30 H new ATOM 0 HA PHE A 39 -2.814 -6.606 6.037 1.00 1.53 H new ATOM 0 HB2 PHE A 39 -1.265 -4.679 4.331 1.00 41.00 H new ATOM 0 HB3 PHE A 39 -0.394 -6.024 5.040 1.00 41.00 H new ATOM 0 HD1 PHE A 39 -2.198 -8.264 4.912 1.00 75.40 H new ATOM 0 HD2 PHE A 39 -1.664 -5.115 2.092 1.00 31.20 H new ATOM 0 HE1 PHE A 39 -3.008 -9.735 3.118 1.00 62.10 H new ATOM 0 HE2 PHE A 39 -2.469 -6.585 0.296 1.00 63.30 H new ATOM 0 HZ PHE A 39 -3.142 -8.899 0.806 1.00 13.20 H new ATOM 580 N LEU A 40 -1.176 -4.138 7.467 1.00 40.10 N ATOM 581 CA LEU A 40 -0.399 -3.771 8.646 1.00 41.30 C ATOM 582 C LEU A 40 -1.121 -4.186 9.924 1.00 40.20 C ATOM 583 O LEU A 40 -0.492 -4.607 10.895 1.00 5.42 O ATOM 584 CB LEU A 40 -0.137 -2.264 8.661 1.00 1.00 C ATOM 585 CG LEU A 40 0.850 -1.768 7.602 1.00 61.10 C ATOM 586 CD1 LEU A 40 0.757 -0.258 7.453 1.00 42.10 C ATOM 587 CD2 LEU A 40 2.268 -2.185 7.961 1.00 50.40 C ATOM 0 H LEU A 40 -1.446 -3.350 6.878 1.00 40.10 H new ATOM 0 HA LEU A 40 0.554 -4.298 8.601 1.00 41.30 H new ATOM 0 HB2 LEU A 40 -1.085 -1.744 8.524 1.00 1.00 H new ATOM 0 HB3 LEU A 40 0.239 -1.986 9.645 1.00 1.00 H new ATOM 0 HG LEU A 40 0.590 -2.223 6.646 1.00 61.10 H new ATOM 0 HD11 LEU A 40 1.466 0.077 6.696 1.00 42.10 H new ATOM 0 HD12 LEU A 40 -0.254 0.016 7.151 1.00 42.10 H new ATOM 0 HD13 LEU A 40 0.992 0.217 8.406 1.00 42.10 H new ATOM 0 HD21 LEU A 40 2.958 -1.824 7.198 1.00 50.40 H new ATOM 0 HD22 LEU A 40 2.540 -1.758 8.926 1.00 50.40 H new ATOM 0 HD23 LEU A 40 2.325 -3.272 8.017 1.00 50.40 H new ATOM 599 N HIS A 41 -2.445 -4.065 9.916 1.00 42.00 N ATOM 600 CA HIS A 41 -3.252 -4.428 11.074 1.00 32.00 C ATOM 601 C HIS A 41 -3.288 -5.941 11.261 1.00 23.50 C ATOM 602 O HIS A 41 -3.381 -6.436 12.384 1.00 3.34 O ATOM 603 CB HIS A 41 -4.675 -3.888 10.919 1.00 33.30 C ATOM 604 CG HIS A 41 -4.784 -2.413 11.149 1.00 54.10 C ATOM 605 ND1 HIS A 41 -3.708 -1.554 11.052 1.00 34.20 N ATOM 606 CD2 HIS A 41 -5.849 -1.642 11.473 1.00 33.30 C ATOM 607 CE1 HIS A 41 -4.108 -0.321 11.307 1.00 1.14 C ATOM 608 NE2 HIS A 41 -5.402 -0.347 11.565 1.00 32.30 N ATOM 0 H HIS A 41 -2.981 -3.718 9.120 1.00 42.00 H new ATOM 0 HA HIS A 41 -2.795 -3.982 11.957 1.00 32.00 H new ATOM 0 HB2 HIS A 41 -5.035 -4.119 9.916 1.00 33.30 H new ATOM 0 HB3 HIS A 41 -5.330 -4.406 11.620 1.00 33.30 H new ATOM 0 HD2 HIS A 41 -6.862 -1.982 11.630 1.00 33.30 H new ATOM 0 HE1 HIS A 41 -3.482 0.559 11.305 1.00 1.14 H new ATOM 0 HE2 HIS A 41 -5.977 0.463 11.795 1.00 32.30 H new ATOM 617 N ALA A 42 -3.213 -6.671 10.152 1.00 32.40 N ATOM 618 CA ALA A 42 -3.236 -8.128 10.194 1.00 41.00 C ATOM 619 C ALA A 42 -1.941 -8.682 10.778 1.00 55.10 C ATOM 620 O ALA A 42 -1.936 -9.737 11.412 1.00 62.30 O ATOM 621 CB ALA A 42 -3.472 -8.691 8.800 1.00 71.00 C ATOM 0 H ALA A 42 -3.136 -6.277 9.214 1.00 32.40 H new ATOM 0 HA ALA A 42 -4.056 -8.435 10.843 1.00 41.00 H new ATOM 0 HB1 ALA A 42 -3.487 -9.780 8.845 1.00 71.00 H new ATOM 0 HB2 ALA A 42 -4.427 -8.330 8.419 1.00 71.00 H new ATOM 0 HB3 ALA A 42 -2.671 -8.366 8.136 1.00 71.00 H new ATOM 627 N ILE A 43 -0.845 -7.964 10.559 1.00 14.40 N ATOM 628 CA ILE A 43 0.457 -8.384 11.064 1.00 3.10 C ATOM 629 C ILE A 43 0.541 -8.208 12.577 1.00 4.41 C ATOM 630 O ILE A 43 0.914 -9.132 13.299 1.00 52.20 O ATOM 631 CB ILE A 43 1.601 -7.591 10.402 1.00 64.10 C ATOM 632 CG1 ILE A 43 1.459 -7.621 8.878 1.00 54.20 C ATOM 633 CG2 ILE A 43 2.951 -8.154 10.823 1.00 52.10 C ATOM 634 CD1 ILE A 43 1.916 -6.346 8.204 1.00 22.10 C ATOM 0 H ILE A 43 -0.832 -7.089 10.035 1.00 14.40 H new ATOM 0 HA ILE A 43 0.567 -9.440 10.816 1.00 3.10 H new ATOM 0 HB ILE A 43 1.541 -6.554 10.734 1.00 64.10 H new ATOM 0 HG12 ILE A 43 2.036 -8.458 8.484 1.00 54.20 H new ATOM 0 HG13 ILE A 43 0.415 -7.804 8.622 1.00 54.20 H new ATOM 0 HG21 ILE A 43 3.748 -7.583 10.347 1.00 52.10 H new ATOM 0 HG22 ILE A 43 3.052 -8.085 11.906 1.00 52.10 H new ATOM 0 HG23 ILE A 43 3.021 -9.198 10.518 1.00 52.10 H new ATOM 0 HD11 ILE A 43 1.787 -6.438 7.126 1.00 22.10 H new ATOM 0 HD12 ILE A 43 1.323 -5.508 8.570 1.00 22.10 H new ATOM 0 HD13 ILE A 43 2.968 -6.172 8.430 1.00 22.10 H new ATOM 646 N LYS A 44 0.190 -7.016 13.049 1.00 75.40 N ATOM 647 CA LYS A 44 0.226 -6.720 14.477 1.00 75.40 C ATOM 648 C LYS A 44 -0.707 -7.647 15.249 1.00 53.50 C ATOM 649 O LYS A 44 -0.380 -8.099 16.346 1.00 31.00 O ATOM 650 CB LYS A 44 -0.165 -5.262 14.726 1.00 64.00 C ATOM 651 CG LYS A 44 -1.463 -4.856 14.047 1.00 54.30 C ATOM 652 CD LYS A 44 -1.948 -3.501 14.538 1.00 75.20 C ATOM 653 CE LYS A 44 -1.397 -2.370 13.686 1.00 73.00 C ATOM 654 NZ LYS A 44 0.068 -2.509 13.459 1.00 43.40 N ATOM 0 H LYS A 44 -0.122 -6.240 12.465 1.00 75.40 H new ATOM 0 HA LYS A 44 1.244 -6.882 14.831 1.00 75.40 H new ATOM 0 HB2 LYS A 44 -0.259 -5.098 15.799 1.00 64.00 H new ATOM 0 HB3 LYS A 44 0.638 -4.614 14.374 1.00 64.00 H new ATOM 0 HG2 LYS A 44 -1.315 -4.822 12.968 1.00 54.30 H new ATOM 0 HG3 LYS A 44 -2.227 -5.609 14.240 1.00 54.30 H new ATOM 0 HD2 LYS A 44 -3.038 -3.475 14.519 1.00 75.20 H new ATOM 0 HD3 LYS A 44 -1.644 -3.358 15.575 1.00 75.20 H new ATOM 0 HE2 LYS A 44 -1.913 -2.354 12.726 1.00 73.00 H new ATOM 0 HE3 LYS A 44 -1.600 -1.416 14.173 1.00 73.00 H new ATOM 0 HZ1 LYS A 44 0.430 -1.653 12.992 1.00 43.40 H new ATOM 0 HZ2 LYS A 44 0.550 -2.635 14.372 1.00 43.40 H new ATOM 0 HZ3 LYS A 44 0.249 -3.336 12.855 1.00 43.40 H new ATOM 668 N TYR A 45 -1.869 -7.927 14.668 1.00 32.50 N ATOM 669 CA TYR A 45 -2.849 -8.801 15.302 1.00 72.50 C ATOM 670 C TYR A 45 -2.688 -10.230 14.820 1.00 71.40 C ATOM 671 O TYR A 45 -2.181 -11.090 15.545 1.00 74.40 O ATOM 672 CB TYR A 45 -4.267 -8.309 15.010 1.00 71.20 C ATOM 673 CG TYR A 45 -4.589 -6.976 15.648 1.00 31.20 C ATOM 674 CD1 TYR A 45 -4.217 -6.703 16.958 1.00 51.20 C ATOM 675 CD2 TYR A 45 -5.266 -5.991 14.940 1.00 73.30 C ATOM 676 CE1 TYR A 45 -4.510 -5.487 17.545 1.00 2.24 C ATOM 677 CE2 TYR A 45 -5.562 -4.772 15.519 1.00 75.10 C ATOM 678 CZ TYR A 45 -5.182 -4.525 16.821 1.00 14.10 C ATOM 679 OH TYR A 45 -5.475 -3.312 17.402 1.00 62.40 O ATOM 0 H TYR A 45 -2.155 -7.561 13.760 1.00 32.50 H new ATOM 0 HA TYR A 45 -2.679 -8.777 16.378 1.00 72.50 H new ATOM 0 HB2 TYR A 45 -4.399 -8.227 13.931 1.00 71.20 H new ATOM 0 HB3 TYR A 45 -4.981 -9.053 15.363 1.00 71.20 H new ATOM 0 HD1 TYR A 45 -3.690 -7.454 17.528 1.00 51.20 H new ATOM 0 HD2 TYR A 45 -5.566 -6.181 13.920 1.00 73.30 H new ATOM 0 HE1 TYR A 45 -4.214 -5.291 18.565 1.00 2.24 H new ATOM 0 HE2 TYR A 45 -6.088 -4.017 14.955 1.00 75.10 H new ATOM 0 HH TYR A 45 -5.950 -2.747 16.757 1.00 62.40 H new ATOM 689 N GLU A 46 -3.123 -10.490 13.591 1.00 14.40 N ATOM 690 CA GLU A 46 -3.027 -11.830 13.011 1.00 0.44 C ATOM 691 C GLU A 46 -1.573 -12.280 12.920 1.00 3.04 C ATOM 692 O GLU A 46 -0.678 -11.640 13.469 1.00 0.34 O ATOM 693 CB GLU A 46 -3.670 -11.850 11.623 1.00 70.00 C ATOM 694 CG GLU A 46 -4.440 -13.130 11.330 1.00 24.20 C ATOM 695 CD GLU A 46 -5.740 -12.870 10.595 1.00 51.40 C ATOM 696 OE1 GLU A 46 -6.535 -12.030 11.071 1.00 31.40 O ATOM 697 OE2 GLU A 46 -5.964 -13.500 9.543 1.00 53.20 O ATOM 0 H GLU A 46 -3.545 -9.794 12.977 1.00 14.40 H new ATOM 0 HA GLU A 46 -3.560 -12.523 13.662 1.00 0.44 H new ATOM 0 HB2 GLU A 46 -4.346 -11.000 11.532 1.00 70.00 H new ATOM 0 HB3 GLU A 46 -2.893 -11.722 10.869 1.00 70.00 H new ATOM 0 HG2 GLU A 46 -3.817 -13.797 10.734 1.00 24.20 H new ATOM 0 HG3 GLU A 46 -4.653 -13.645 12.267 1.00 24.20 H new ATOM 704 N ALA A 47 -1.344 -13.390 12.223 1.00 5.21 N ATOM 705 CA ALA A 47 0.002 -13.920 12.060 1.00 44.40 C ATOM 706 C ALA A 47 0.619 -14.280 13.408 1.00 32.40 C ATOM 707 O ALA A 47 0.207 -13.760 14.446 1.00 21.30 O ATOM 708 CB ALA A 47 0.881 -12.920 11.321 1.00 54.10 C ATOM 0 H ALA A 47 -2.073 -13.937 11.764 1.00 5.21 H new ATOM 0 HA ALA A 47 -0.064 -14.832 11.467 1.00 44.40 H new ATOM 0 HB1 ALA A 47 1.884 -13.331 11.207 1.00 54.10 H new ATOM 0 HB2 ALA A 47 0.457 -12.721 10.337 1.00 54.10 H new ATOM 0 HB3 ALA A 47 0.932 -11.991 11.889 1.00 54.10 H new ATOM 714 N HIS A 48 1.609 -15.160 13.385 1.00 72.00 N ATOM 715 CA HIS A 48 2.283 -15.590 14.607 1.00 25.40 C ATOM 716 C HIS A 48 3.767 -15.830 14.353 1.00 32.30 C ATOM 717 O HIS A 48 4.614 -15.030 14.748 1.00 64.50 O ATOM 718 CB HIS A 48 1.632 -16.860 15.159 1.00 0.13 C ATOM 719 CG HIS A 48 0.306 -16.620 15.810 1.00 44.50 C ATOM 720 ND1 HIS A 48 -0.829 -16.280 15.105 1.00 71.40 N ATOM 721 CD2 HIS A 48 -0.064 -16.670 17.112 1.00 12.40 C ATOM 722 CE1 HIS A 48 -1.839 -16.130 15.944 1.00 62.00 C ATOM 723 NE2 HIS A 48 -1.401 -16.360 17.167 1.00 4.12 N ATOM 0 H HIS A 48 1.966 -15.593 12.533 1.00 72.00 H new ATOM 0 HA HIS A 48 2.184 -14.794 15.345 1.00 25.40 H new ATOM 0 HB2 HIS A 48 1.504 -17.575 14.346 1.00 0.13 H new ATOM 0 HB3 HIS A 48 2.305 -17.318 15.884 1.00 0.13 H new ATOM 0 HD2 HIS A 48 0.573 -16.909 17.950 1.00 12.40 H new ATOM 0 HE1 HIS A 48 -2.851 -15.864 15.674 1.00 62.00 H new ATOM 0 HE2 HIS A 48 -1.964 -16.315 18.016 1.00 4.12 H new ATOM 732 N SER A 49 4.073 -16.940 13.691 1.00 73.30 N ATOM 733 CA SER A 49 5.455 -17.290 13.383 1.00 30.40 C ATOM 734 C SER A 49 6.096 -16.240 12.484 1.00 63.00 C ATOM 735 O SER A 49 5.408 -15.550 11.733 1.00 3.04 O ATOM 736 CB SER A 49 5.518 -18.660 12.708 1.00 42.40 C ATOM 737 OG SER A 49 4.545 -18.770 11.684 1.00 10.00 O ATOM 0 H SER A 49 3.383 -17.613 13.357 1.00 73.30 H new ATOM 0 HA SER A 49 6.010 -17.328 14.320 1.00 30.40 H new ATOM 0 HB2 SER A 49 6.512 -18.816 12.288 1.00 42.40 H new ATOM 0 HB3 SER A 49 5.359 -19.442 13.450 1.00 42.40 H new ATOM 0 HG SER A 49 4.607 -19.655 11.267 1.00 10.00 H new ATOM 743 N ASP A 50 7.417 -16.120 12.566 1.00 45.40 N ATOM 744 CA ASP A 50 8.151 -15.160 11.760 1.00 34.00 C ATOM 745 C ASP A 50 7.949 -15.420 10.272 1.00 11.30 C ATOM 746 O ASP A 50 7.941 -14.500 9.460 1.00 43.20 O ATOM 747 CB ASP A 50 9.642 -15.200 12.100 1.00 31.40 C ATOM 748 CG ASP A 50 10.411 -14.050 11.489 1.00 62.20 C ATOM 749 OD1 ASP A 50 10.213 -12.900 11.937 1.00 21.10 O ATOM 750 OD2 ASP A 50 11.211 -14.290 10.562 1.00 63.10 O ATOM 0 H ASP A 50 8.001 -16.680 13.187 1.00 45.40 H new ATOM 0 HA ASP A 50 7.762 -14.168 11.990 1.00 34.00 H new ATOM 0 HB2 ASP A 50 9.764 -15.179 13.183 1.00 31.40 H new ATOM 0 HB3 ASP A 50 10.065 -16.141 11.750 1.00 31.40 H new ATOM 755 N LYS A 51 7.786 -16.690 9.920 1.00 4.22 N ATOM 756 CA LYS A 51 7.583 -17.080 8.530 1.00 65.10 C ATOM 757 C LYS A 51 6.326 -16.430 7.961 1.00 63.10 C ATOM 758 O LYS A 51 6.263 -16.110 6.774 1.00 1.41 O ATOM 759 CB LYS A 51 7.483 -18.600 8.413 1.00 55.10 C ATOM 760 CG LYS A 51 7.893 -19.140 7.050 1.00 72.20 C ATOM 761 CD LYS A 51 8.564 -20.500 7.164 1.00 50.50 C ATOM 762 CE LYS A 51 9.719 -20.630 6.184 1.00 10.40 C ATOM 763 NZ LYS A 51 10.856 -21.400 6.766 1.00 33.00 N ATOM 0 H LYS A 51 7.790 -17.468 10.579 1.00 4.22 H new ATOM 0 HA LYS A 51 8.442 -16.735 7.954 1.00 65.10 H new ATOM 0 HB2 LYS A 51 8.111 -19.056 9.178 1.00 55.10 H new ATOM 0 HB3 LYS A 51 6.457 -18.904 8.620 1.00 55.10 H new ATOM 0 HG2 LYS A 51 7.014 -19.220 6.411 1.00 72.20 H new ATOM 0 HG3 LYS A 51 8.574 -18.437 6.570 1.00 72.20 H new ATOM 0 HD2 LYS A 51 8.929 -20.644 8.181 1.00 50.50 H new ATOM 0 HD3 LYS A 51 7.833 -21.286 6.974 1.00 50.50 H new ATOM 0 HE2 LYS A 51 9.372 -21.125 5.277 1.00 10.40 H new ATOM 0 HE3 LYS A 51 10.063 -19.637 5.894 1.00 10.40 H new ATOM 0 HZ1 LYS A 51 11.624 -21.467 6.068 1.00 33.00 H new ATOM 0 HZ2 LYS A 51 11.204 -20.915 7.618 1.00 33.00 H new ATOM 0 HZ3 LYS A 51 10.534 -22.356 7.019 1.00 33.00 H new ATOM 777 N ALA A 52 5.326 -16.240 8.816 1.00 21.20 N ATOM 778 CA ALA A 52 4.069 -15.630 8.399 1.00 21.10 C ATOM 779 C ALA A 52 4.212 -14.120 8.266 1.00 11.30 C ATOM 780 O ALA A 52 3.639 -13.510 7.363 1.00 43.20 O ATOM 781 CB ALA A 52 2.963 -15.980 9.385 1.00 20.20 C ATOM 0 H ALA A 52 5.362 -16.500 9.802 1.00 21.20 H new ATOM 0 HA ALA A 52 3.803 -16.028 7.419 1.00 21.10 H new ATOM 0 HB1 ALA A 52 2.029 -15.519 9.063 1.00 20.20 H new ATOM 0 HB2 ALA A 52 2.839 -17.062 9.423 1.00 20.20 H new ATOM 0 HB3 ALA A 52 3.228 -15.610 10.375 1.00 20.20 H new ATOM 787 N LYS A 53 4.980 -13.520 9.171 1.00 32.30 N ATOM 788 CA LYS A 53 5.198 -12.080 9.154 1.00 4.24 C ATOM 789 C LYS A 53 6.173 -11.690 8.048 1.00 62.10 C ATOM 790 O LYS A 53 6.077 -10.600 7.478 1.00 33.10 O ATOM 791 CB LYS A 53 5.730 -11.610 10.509 1.00 20.10 C ATOM 792 CG LYS A 53 4.636 -11.230 11.493 1.00 62.10 C ATOM 793 CD LYS A 53 5.148 -11.230 12.924 1.00 4.33 C ATOM 794 CE LYS A 53 4.796 -12.530 13.638 1.00 53.20 C ATOM 795 NZ LYS A 53 4.447 -12.290 15.067 1.00 34.30 N ATOM 0 H LYS A 53 5.461 -14.010 9.925 1.00 32.30 H new ATOM 0 HA LYS A 53 4.242 -11.594 8.957 1.00 4.24 H new ATOM 0 HB2 LYS A 53 6.340 -12.401 10.945 1.00 20.10 H new ATOM 0 HB3 LYS A 53 6.383 -10.751 10.355 1.00 20.10 H new ATOM 0 HG2 LYS A 53 4.249 -10.242 11.244 1.00 62.10 H new ATOM 0 HG3 LYS A 53 3.805 -11.930 11.403 1.00 62.10 H new ATOM 0 HD2 LYS A 53 6.229 -11.093 12.926 1.00 4.33 H new ATOM 0 HD3 LYS A 53 4.719 -10.387 13.466 1.00 4.33 H new ATOM 0 HE2 LYS A 53 3.957 -13.008 13.133 1.00 53.20 H new ATOM 0 HE3 LYS A 53 5.639 -13.219 13.579 1.00 53.20 H new ATOM 0 HZ1 LYS A 53 4.395 -13.199 15.569 1.00 34.30 H new ATOM 0 HZ2 LYS A 53 5.176 -11.693 15.507 1.00 34.30 H new ATOM 0 HZ3 LYS A 53 3.526 -11.810 15.124 1.00 34.30 H new ATOM 809 N GLU A 54 7.110 -12.580 7.750 1.00 41.10 N ATOM 810 CA GLU A 54 8.103 -12.330 6.712 1.00 73.10 C ATOM 811 C GLU A 54 7.447 -12.270 5.336 1.00 41.10 C ATOM 812 O GLU A 54 7.682 -11.340 4.567 1.00 41.40 O ATOM 813 CB GLU A 54 9.176 -13.420 6.729 1.00 3.33 C ATOM 814 CG GLU A 54 10.460 -13.020 6.020 1.00 45.30 C ATOM 815 CD GLU A 54 11.701 -13.490 6.756 1.00 33.10 C ATOM 816 OE1 GLU A 54 12.084 -12.830 7.747 1.00 71.30 O ATOM 817 OE2 GLU A 54 12.290 -14.510 6.343 1.00 1.24 O ATOM 0 H GLU A 54 7.204 -13.484 8.213 1.00 41.10 H new ATOM 0 HA GLU A 54 8.570 -11.367 6.916 1.00 73.10 H new ATOM 0 HB2 GLU A 54 9.406 -13.676 7.763 1.00 3.33 H new ATOM 0 HB3 GLU A 54 8.776 -14.319 6.260 1.00 3.33 H new ATOM 0 HG2 GLU A 54 10.460 -13.436 5.013 1.00 45.30 H new ATOM 0 HG3 GLU A 54 10.492 -11.935 5.917 1.00 45.30 H new ATOM 824 N SER A 55 6.625 -13.270 5.032 1.00 31.40 N ATOM 825 CA SER A 55 5.935 -13.330 3.748 1.00 4.45 C ATOM 826 C SER A 55 5.035 -12.110 3.559 1.00 73.50 C ATOM 827 O SER A 55 5.008 -11.510 2.487 1.00 50.30 O ATOM 828 CB SER A 55 5.108 -14.610 3.648 1.00 60.20 C ATOM 829 OG SER A 55 5.013 -15.050 2.305 1.00 30.30 O ATOM 0 H SER A 55 6.421 -14.050 5.657 1.00 31.40 H new ATOM 0 HA SER A 55 6.686 -13.332 2.958 1.00 4.45 H new ATOM 0 HB2 SER A 55 5.563 -15.390 4.258 1.00 60.20 H new ATOM 0 HB3 SER A 55 4.109 -14.434 4.048 1.00 60.20 H new ATOM 0 HG SER A 55 4.480 -15.872 2.267 1.00 30.30 H new ATOM 835 N ILE A 56 4.298 -11.760 4.607 1.00 1.21 N ATOM 836 CA ILE A 56 3.396 -10.610 4.556 1.00 62.10 C ATOM 837 C ILE A 56 4.174 -9.307 4.551 1.00 53.20 C ATOM 838 O ILE A 56 3.844 -8.380 3.812 1.00 54.30 O ATOM 839 CB ILE A 56 2.418 -10.610 5.747 1.00 70.30 C ATOM 840 CG1 ILE A 56 1.731 -11.980 5.872 1.00 4.34 C ATOM 841 CG2 ILE A 56 1.386 -9.512 5.587 1.00 52.10 C ATOM 842 CD1 ILE A 56 1.197 -12.260 7.260 1.00 4.03 C ATOM 0 H ILE A 56 4.305 -12.252 5.500 1.00 1.21 H new ATOM 0 HA ILE A 56 2.827 -10.693 3.630 1.00 62.10 H new ATOM 0 HB ILE A 56 2.983 -10.420 6.660 1.00 70.30 H new ATOM 0 HG12 ILE A 56 0.910 -12.033 5.157 1.00 4.34 H new ATOM 0 HG13 ILE A 56 2.441 -12.761 5.600 1.00 4.34 H new ATOM 0 HG21 ILE A 56 0.704 -9.527 6.437 1.00 52.10 H new ATOM 0 HG22 ILE A 56 1.887 -8.545 5.541 1.00 52.10 H new ATOM 0 HG23 ILE A 56 0.823 -9.673 4.667 1.00 52.10 H new ATOM 0 HD11 ILE A 56 0.725 -13.242 7.277 1.00 4.03 H new ATOM 0 HD12 ILE A 56 2.018 -12.239 7.977 1.00 4.03 H new ATOM 0 HD13 ILE A 56 0.463 -11.500 7.527 1.00 4.03 H new ATOM 854 N ARG A 57 5.210 -9.236 5.381 1.00 71.20 N ATOM 855 CA ARG A 57 6.036 -8.037 5.471 1.00 60.00 C ATOM 856 C ARG A 57 6.686 -7.723 4.128 1.00 42.30 C ATOM 857 O ARG A 57 6.547 -6.618 3.604 1.00 13.40 O ATOM 858 CB ARG A 57 7.112 -8.214 6.543 1.00 44.40 C ATOM 859 CG ARG A 57 8.002 -6.994 6.720 1.00 32.50 C ATOM 860 CD ARG A 57 8.904 -7.134 7.935 1.00 3.14 C ATOM 861 NE ARG A 57 8.152 -7.479 9.139 1.00 52.50 N ATOM 862 CZ ARG A 57 8.705 -7.983 10.240 1.00 54.40 C ATOM 863 NH1 ARG A 57 10.013 -8.202 10.293 1.00 62.40 N ATOM 864 NH2 ARG A 57 7.949 -8.268 11.291 1.00 53.30 N ATOM 0 H ARG A 57 5.497 -9.994 6.000 1.00 71.20 H new ATOM 0 HA ARG A 57 5.392 -7.202 5.747 1.00 60.00 H new ATOM 0 HB2 ARG A 57 6.631 -8.444 7.494 1.00 44.40 H new ATOM 0 HB3 ARG A 57 7.733 -9.072 6.284 1.00 44.40 H new ATOM 0 HG2 ARG A 57 8.612 -6.854 5.827 1.00 32.50 H new ATOM 0 HG3 ARG A 57 7.383 -6.103 6.826 1.00 32.50 H new ATOM 0 HD2 ARG A 57 9.653 -7.902 7.743 1.00 3.14 H new ATOM 0 HD3 ARG A 57 9.440 -6.199 8.098 1.00 3.14 H new ATOM 0 HE ARG A 57 7.144 -7.325 9.136 1.00 52.50 H new ATOM 0 HH11 ARG A 57 10.600 -7.984 9.488 1.00 62.40 H new ATOM 0 HH12 ARG A 57 10.432 -8.588 11.139 1.00 62.40 H new ATOM 0 HH21 ARG A 57 6.943 -8.101 11.256 1.00 53.30 H new ATOM 0 HH22 ARG A 57 8.373 -8.654 12.135 1.00 53.30 H new ATOM 878 N ALA A 58 7.394 -8.702 3.574 1.00 5.32 N ATOM 879 CA ALA A 58 8.063 -8.529 2.290 1.00 22.10 C ATOM 880 C ALA A 58 7.073 -8.099 1.213 1.00 23.40 C ATOM 881 O ALA A 58 7.404 -7.308 0.330 1.00 32.40 O ATOM 882 CB ALA A 58 8.765 -9.815 1.882 1.00 22.20 C ATOM 0 H ALA A 58 7.519 -9.623 3.994 1.00 5.32 H new ATOM 0 HA ALA A 58 8.809 -7.742 2.398 1.00 22.10 H new ATOM 0 HB1 ALA A 58 9.260 -9.670 0.922 1.00 22.20 H new ATOM 0 HB2 ALA A 58 9.506 -10.080 2.636 1.00 22.20 H new ATOM 0 HB3 ALA A 58 8.033 -10.618 1.796 1.00 22.20 H new ATOM 888 N LYS A 59 5.854 -8.622 1.298 1.00 43.00 N ATOM 889 CA LYS A 59 4.812 -8.289 0.335 1.00 53.30 C ATOM 890 C LYS A 59 4.290 -6.876 0.573 1.00 51.40 C ATOM 891 O LYS A 59 3.887 -6.187 -0.364 1.00 53.10 O ATOM 892 CB LYS A 59 3.662 -9.294 0.429 1.00 22.30 C ATOM 893 CG LYS A 59 3.834 -10.500 -0.478 1.00 41.40 C ATOM 894 CD LYS A 59 3.031 -11.690 0.022 1.00 52.50 C ATOM 895 CE LYS A 59 3.206 -12.900 -0.883 1.00 25.40 C ATOM 896 NZ LYS A 59 2.837 -14.160 -0.194 1.00 15.40 N ATOM 0 H LYS A 59 5.564 -9.278 2.024 1.00 43.00 H new ATOM 0 HA LYS A 59 5.243 -8.336 -0.665 1.00 53.30 H new ATOM 0 HB2 LYS A 59 3.572 -9.635 1.460 1.00 22.30 H new ATOM 0 HB3 LYS A 59 2.729 -8.790 0.177 1.00 22.30 H new ATOM 0 HG2 LYS A 59 3.517 -10.245 -1.489 1.00 41.40 H new ATOM 0 HG3 LYS A 59 4.889 -10.768 -0.533 1.00 41.40 H new ATOM 0 HD2 LYS A 59 3.346 -11.943 1.034 1.00 52.50 H new ATOM 0 HD3 LYS A 59 1.976 -11.422 0.074 1.00 52.50 H new ATOM 0 HE2 LYS A 59 2.591 -12.779 -1.774 1.00 25.40 H new ATOM 0 HE3 LYS A 59 4.242 -12.958 -1.216 1.00 25.40 H new ATOM 0 HZ1 LYS A 59 2.839 -14.943 -0.878 1.00 15.40 H new ATOM 0 HZ2 LYS A 59 3.525 -14.358 0.560 1.00 15.40 H new ATOM 0 HZ3 LYS A 59 1.888 -14.064 0.220 1.00 15.40 H new ATOM 910 N CYS A 60 4.303 -6.450 1.832 1.00 71.40 N ATOM 911 CA CYS A 60 3.834 -5.118 2.192 1.00 44.20 C ATOM 912 C CYS A 60 4.851 -4.057 1.786 1.00 11.30 C ATOM 913 O CYS A 60 4.485 -2.968 1.345 1.00 41.10 O ATOM 914 CB CYS A 60 3.569 -5.037 3.697 1.00 44.20 C ATOM 915 SG CYS A 60 2.161 -6.025 4.252 1.00 64.10 S ATOM 0 H CYS A 60 4.633 -7.008 2.619 1.00 71.40 H new ATOM 0 HA CYS A 60 2.904 -4.930 1.656 1.00 44.20 H new ATOM 0 HB2 CYS A 60 4.462 -5.364 4.230 1.00 44.20 H new ATOM 0 HB3 CYS A 60 3.398 -3.996 3.970 1.00 44.20 H new ATOM 0 HG CYS A 60 2.421 -7.287 4.080 1.00 64.10 H new ATOM 921 N VAL A 61 6.130 -4.384 1.935 1.00 32.40 N ATOM 922 CA VAL A 61 7.201 -3.461 1.582 1.00 24.40 C ATOM 923 C VAL A 61 7.173 -3.136 0.093 1.00 42.40 C ATOM 924 O VAL A 61 7.313 -1.979 -0.304 1.00 72.00 O ATOM 925 CB VAL A 61 8.584 -4.037 1.945 1.00 13.10 C ATOM 926 CG1 VAL A 61 9.674 -3.002 1.711 1.00 52.10 C ATOM 927 CG2 VAL A 61 8.600 -4.522 3.387 1.00 44.50 C ATOM 0 H VAL A 61 6.450 -5.282 2.298 1.00 32.40 H new ATOM 0 HA VAL A 61 7.036 -2.549 2.155 1.00 24.40 H new ATOM 0 HB VAL A 61 8.782 -4.891 1.297 1.00 13.10 H new ATOM 0 HG11 VAL A 61 10.642 -3.428 1.973 1.00 52.10 H new ATOM 0 HG12 VAL A 61 9.678 -2.709 0.661 1.00 52.10 H new ATOM 0 HG13 VAL A 61 9.483 -2.126 2.331 1.00 52.10 H new ATOM 0 HG21 VAL A 61 9.585 -4.925 3.624 1.00 44.50 H new ATOM 0 HG22 VAL A 61 8.379 -3.689 4.054 1.00 44.50 H new ATOM 0 HG23 VAL A 61 7.848 -5.300 3.517 1.00 44.50 H new ATOM 937 N GLN A 62 6.990 -4.165 -0.729 1.00 41.20 N ATOM 938 CA GLN A 62 6.942 -3.989 -2.175 1.00 55.50 C ATOM 939 C GLN A 62 5.701 -3.203 -2.586 1.00 22.50 C ATOM 940 O GLN A 62 5.732 -2.430 -3.543 1.00 24.20 O ATOM 941 CB GLN A 62 6.953 -5.349 -2.876 1.00 3.21 C ATOM 942 CG GLN A 62 6.944 -5.251 -4.393 1.00 20.40 C ATOM 943 CD GLN A 62 6.910 -6.610 -5.064 1.00 72.30 C ATOM 944 OE1 GLN A 62 7.604 -7.538 -4.649 1.00 61.00 O ATOM 945 NE2 GLN A 62 6.099 -6.734 -6.108 1.00 33.50 N ATOM 0 H GLN A 62 6.873 -5.129 -0.417 1.00 41.20 H new ATOM 0 HA GLN A 62 7.825 -3.425 -2.477 1.00 55.50 H new ATOM 0 HB2 GLN A 62 7.837 -5.904 -2.561 1.00 3.21 H new ATOM 0 HB3 GLN A 62 6.085 -5.923 -2.552 1.00 3.21 H new ATOM 0 HG2 GLN A 62 6.078 -4.671 -4.711 1.00 20.40 H new ATOM 0 HG3 GLN A 62 7.830 -4.708 -4.724 1.00 20.40 H new ATOM 0 HE21 GLN A 62 5.541 -5.938 -6.418 1.00 33.50 H new ATOM 0 HE22 GLN A 62 6.034 -7.625 -6.600 1.00 33.50 H new ATOM 954 N TYR A 63 4.610 -3.405 -1.854 1.00 71.40 N ATOM 955 CA TYR A 63 3.358 -2.714 -2.142 1.00 0.40 C ATOM 956 C TYR A 63 3.510 -1.210 -1.943 1.00 42.10 C ATOM 957 O TYR A 63 2.953 -0.414 -2.699 1.00 11.20 O ATOM 958 CB TYR A 63 2.238 -3.248 -1.248 1.00 43.30 C ATOM 959 CG TYR A 63 1.556 -4.480 -1.800 1.00 22.10 C ATOM 960 CD1 TYR A 63 1.182 -4.550 -3.136 1.00 15.10 C ATOM 961 CD2 TYR A 63 1.287 -5.572 -0.985 1.00 73.00 C ATOM 962 CE1 TYR A 63 0.558 -5.674 -3.645 1.00 72.10 C ATOM 963 CE2 TYR A 63 0.664 -6.700 -1.486 1.00 22.30 C ATOM 964 CZ TYR A 63 0.302 -6.745 -2.816 1.00 22.20 C ATOM 965 OH TYR A 63 -0.318 -7.866 -3.318 1.00 63.40 O ATOM 0 H TYR A 63 4.567 -4.041 -1.058 1.00 71.40 H new ATOM 0 HA TYR A 63 3.100 -2.901 -3.184 1.00 0.40 H new ATOM 0 HB2 TYR A 63 2.649 -3.480 -0.265 1.00 43.30 H new ATOM 0 HB3 TYR A 63 1.494 -2.464 -1.105 1.00 43.30 H new ATOM 0 HD1 TYR A 63 1.382 -3.713 -3.788 1.00 15.10 H new ATOM 0 HD2 TYR A 63 1.569 -5.539 0.057 1.00 73.00 H new ATOM 0 HE1 TYR A 63 0.273 -5.713 -4.686 1.00 72.10 H new ATOM 0 HE2 TYR A 63 0.462 -7.541 -0.839 1.00 22.30 H new ATOM 0 HH TYR A 63 -0.423 -8.529 -2.604 1.00 63.40 H new ATOM 975 N LEU A 64 4.268 -0.827 -0.921 1.00 74.40 N ATOM 976 CA LEU A 64 4.494 0.583 -0.622 1.00 13.30 C ATOM 977 C LEU A 64 5.326 1.243 -1.717 1.00 64.00 C ATOM 978 O LEU A 64 5.082 2.391 -2.088 1.00 72.50 O ATOM 979 CB LEU A 64 5.194 0.734 0.729 1.00 52.40 C ATOM 980 CG LEU A 64 4.260 0.806 1.938 1.00 43.10 C ATOM 981 CD1 LEU A 64 5.023 0.510 3.220 1.00 72.20 C ATOM 982 CD2 LEU A 64 3.594 2.171 2.015 1.00 22.10 C ATOM 0 H LEU A 64 4.736 -1.473 -0.286 1.00 74.40 H new ATOM 0 HA LEU A 64 3.525 1.080 -0.577 1.00 13.30 H new ATOM 0 HB2 LEU A 64 5.874 -0.107 0.864 1.00 52.40 H new ATOM 0 HB3 LEU A 64 5.804 1.637 0.706 1.00 52.40 H new ATOM 0 HG LEU A 64 3.483 0.051 1.819 1.00 43.10 H new ATOM 0 HD11 LEU A 64 4.342 0.566 4.070 1.00 72.20 H new ATOM 0 HD12 LEU A 64 5.453 -0.490 3.165 1.00 72.20 H new ATOM 0 HD13 LEU A 64 5.821 1.242 3.346 1.00 72.20 H new ATOM 0 HD21 LEU A 64 2.933 2.205 2.881 1.00 22.10 H new ATOM 0 HD22 LEU A 64 4.357 2.943 2.111 1.00 22.10 H new ATOM 0 HD23 LEU A 64 3.014 2.344 1.109 1.00 22.10 H new ATOM 994 N ASP A 65 6.308 0.510 -2.230 1.00 2.22 N ATOM 995 CA ASP A 65 7.176 1.024 -3.283 1.00 24.30 C ATOM 996 C ASP A 65 6.367 1.388 -4.524 1.00 51.30 C ATOM 997 O ASP A 65 6.649 2.384 -5.191 1.00 13.40 O ATOM 998 CB ASP A 65 8.245 -0.009 -3.641 1.00 52.00 C ATOM 999 CG ASP A 65 9.487 0.122 -2.781 1.00 2.14 C ATOM 1000 OD1 ASP A 65 9.346 0.200 -1.543 1.00 31.00 O ATOM 1001 OD2 ASP A 65 10.601 0.148 -3.347 1.00 40.20 O ATOM 0 H ASP A 65 6.523 -0.442 -1.934 1.00 2.22 H new ATOM 0 HA ASP A 65 7.663 1.926 -2.911 1.00 24.30 H new ATOM 0 HB2 ASP A 65 7.831 -1.011 -3.526 1.00 52.00 H new ATOM 0 HB3 ASP A 65 8.519 0.104 -4.690 1.00 52.00 H new ATOM 1006 N ARG A 66 5.362 0.574 -4.828 1.00 54.40 N ATOM 1007 CA ARG A 66 4.512 0.811 -5.989 1.00 1.14 C ATOM 1008 C ARG A 66 3.608 2.019 -5.765 1.00 60.40 C ATOM 1009 O ARG A 66 3.264 2.733 -6.706 1.00 23.10 O ATOM 1010 CB ARG A 66 3.663 -0.427 -6.287 1.00 32.10 C ATOM 1011 CG ARG A 66 4.326 -1.403 -7.246 1.00 35.20 C ATOM 1012 CD ARG A 66 3.299 -2.139 -8.090 1.00 72.50 C ATOM 1013 NE ARG A 66 3.762 -2.345 -9.461 1.00 75.10 N ATOM 1014 CZ ARG A 66 4.736 -3.188 -9.796 1.00 12.30 C ATOM 1015 NH1 ARG A 66 5.351 -3.906 -8.864 1.00 63.30 N ATOM 1016 NH2 ARG A 66 5.095 -3.314 -11.060 1.00 41.00 N ATOM 0 H ARG A 66 5.116 -0.255 -4.287 1.00 54.40 H new ATOM 0 HA ARG A 66 5.157 1.016 -6.844 1.00 1.14 H new ATOM 0 HB2 ARG A 66 3.445 -0.942 -5.351 1.00 32.10 H new ATOM 0 HB3 ARG A 66 2.708 -0.110 -6.707 1.00 32.10 H new ATOM 0 HG2 ARG A 66 5.015 -0.864 -7.897 1.00 35.20 H new ATOM 0 HG3 ARG A 66 4.918 -2.123 -6.682 1.00 35.20 H new ATOM 0 HD2 ARG A 66 3.079 -3.104 -7.633 1.00 72.50 H new ATOM 0 HD3 ARG A 66 2.368 -1.573 -8.103 1.00 72.50 H new ATOM 0 HE ARG A 66 3.312 -1.811 -10.205 1.00 75.10 H new ATOM 0 HH11 ARG A 66 5.078 -3.813 -7.886 1.00 63.30 H new ATOM 0 HH12 ARG A 66 6.097 -4.551 -9.126 1.00 63.30 H new ATOM 0 HH21 ARG A 66 4.626 -2.765 -11.781 1.00 41.00 H new ATOM 0 HH22 ARG A 66 5.841 -3.960 -11.316 1.00 41.00 H new ATOM 1030 N ALA A 67 3.227 2.241 -4.511 1.00 75.10 N ATOM 1031 CA ALA A 67 2.364 3.363 -4.162 1.00 20.20 C ATOM 1032 C ALA A 67 3.027 4.693 -4.503 1.00 64.40 C ATOM 1033 O ALA A 67 2.487 5.489 -5.270 1.00 73.10 O ATOM 1034 CB ALA A 67 2.005 3.313 -2.685 1.00 52.10 C ATOM 0 H ALA A 67 3.502 1.659 -3.720 1.00 75.10 H new ATOM 0 HA ALA A 67 1.450 3.282 -4.750 1.00 20.20 H new ATOM 0 HB1 ALA A 67 1.360 4.157 -2.438 1.00 52.10 H new ATOM 0 HB2 ALA A 67 1.482 2.381 -2.469 1.00 52.10 H new ATOM 0 HB3 ALA A 67 2.915 3.365 -2.087 1.00 52.10 H new ATOM 1040 N GLU A 68 4.202 4.927 -3.928 1.00 53.30 N ATOM 1041 CA GLU A 68 4.940 6.161 -4.171 1.00 42.10 C ATOM 1042 C GLU A 68 5.272 6.314 -5.651 1.00 64.20 C ATOM 1043 O GLU A 68 5.340 7.427 -6.171 1.00 22.10 O ATOM 1044 CB GLU A 68 6.226 6.184 -3.342 1.00 73.10 C ATOM 1045 CG GLU A 68 7.146 5.005 -3.615 1.00 52.10 C ATOM 1046 CD GLU A 68 8.029 5.225 -4.828 1.00 34.10 C ATOM 1047 OE1 GLU A 68 8.836 6.178 -4.811 1.00 73.50 O ATOM 1048 OE2 GLU A 68 7.913 4.443 -5.796 1.00 13.40 O ATOM 0 H GLU A 68 4.664 4.278 -3.290 1.00 53.30 H new ATOM 0 HA GLU A 68 4.308 6.997 -3.871 1.00 42.10 H new ATOM 0 HB2 GLU A 68 6.764 7.109 -3.547 1.00 73.10 H new ATOM 0 HB3 GLU A 68 5.966 6.194 -2.283 1.00 73.10 H new ATOM 0 HG2 GLU A 68 7.773 4.828 -2.741 1.00 52.10 H new ATOM 0 HG3 GLU A 68 6.546 4.107 -3.765 1.00 52.10 H new ATOM 1055 N LYS A 69 5.478 5.187 -6.326 1.00 2.15 N ATOM 1056 CA LYS A 69 5.803 5.196 -7.747 1.00 21.40 C ATOM 1057 C LYS A 69 4.683 5.840 -8.557 1.00 42.10 C ATOM 1058 O LYS A 69 4.919 6.760 -9.339 1.00 51.00 O ATOM 1059 CB LYS A 69 6.052 3.770 -8.243 1.00 11.30 C ATOM 1060 CG LYS A 69 6.728 3.709 -9.603 1.00 73.10 C ATOM 1061 CD LYS A 69 8.238 3.594 -9.470 1.00 11.40 C ATOM 1062 CE LYS A 69 8.847 4.873 -8.918 1.00 21.30 C ATOM 1063 NZ LYS A 69 10.332 4.872 -9.024 1.00 24.40 N ATOM 0 H LYS A 69 5.425 4.257 -5.911 1.00 2.15 H new ATOM 0 HA LYS A 69 6.710 5.785 -7.883 1.00 21.40 H new ATOM 0 HB2 LYS A 69 6.670 3.244 -7.515 1.00 11.30 H new ATOM 0 HB3 LYS A 69 5.100 3.241 -8.295 1.00 11.30 H new ATOM 0 HG2 LYS A 69 6.345 2.856 -10.163 1.00 73.10 H new ATOM 0 HG3 LYS A 69 6.479 4.603 -10.175 1.00 73.10 H new ATOM 0 HD2 LYS A 69 8.484 2.760 -8.813 1.00 11.40 H new ATOM 0 HD3 LYS A 69 8.674 3.373 -10.444 1.00 11.40 H new ATOM 0 HE2 LYS A 69 8.445 5.729 -9.459 1.00 21.30 H new ATOM 0 HE3 LYS A 69 8.558 4.992 -7.874 1.00 21.30 H new ATOM 0 HZ1 LYS A 69 10.708 5.761 -8.637 1.00 24.40 H new ATOM 0 HZ2 LYS A 69 10.718 4.070 -8.487 1.00 24.40 H new ATOM 0 HZ3 LYS A 69 10.609 4.785 -10.023 1.00 24.40 H new ATOM 1077 N LEU A 70 3.463 5.350 -8.363 1.00 72.40 N ATOM 1078 CA LEU A 70 2.305 5.878 -9.075 1.00 33.30 C ATOM 1079 C LEU A 70 2.073 7.344 -8.723 1.00 72.00 C ATOM 1080 O LEU A 70 1.630 8.131 -9.560 1.00 60.20 O ATOM 1081 CB LEU A 70 1.057 5.057 -8.743 1.00 31.30 C ATOM 1082 CG LEU A 70 0.802 3.865 -9.666 1.00 32.30 C ATOM 1083 CD1 LEU A 70 2.027 2.966 -9.728 1.00 32.40 C ATOM 1084 CD2 LEU A 70 -0.415 3.080 -9.197 1.00 42.10 C ATOM 0 H LEU A 70 3.251 4.588 -7.719 1.00 72.40 H new ATOM 0 HA LEU A 70 2.503 5.807 -10.144 1.00 33.30 H new ATOM 0 HB2 LEU A 70 1.142 4.693 -7.719 1.00 31.30 H new ATOM 0 HB3 LEU A 70 0.189 5.715 -8.776 1.00 31.30 H new ATOM 0 HG LEU A 70 0.603 4.242 -10.669 1.00 32.30 H new ATOM 0 HD11 LEU A 70 1.827 2.123 -10.390 1.00 32.40 H new ATOM 0 HD12 LEU A 70 2.876 3.533 -10.110 1.00 32.40 H new ATOM 0 HD13 LEU A 70 2.258 2.596 -8.729 1.00 32.40 H new ATOM 0 HD21 LEU A 70 -0.582 2.235 -9.865 1.00 42.10 H new ATOM 0 HD22 LEU A 70 -0.244 2.714 -8.185 1.00 42.10 H new ATOM 0 HD23 LEU A 70 -1.291 3.728 -9.205 1.00 42.10 H new ATOM 1096 N LYS A 71 2.375 7.704 -7.480 1.00 53.30 N ATOM 1097 CA LYS A 71 2.199 9.076 -7.017 1.00 34.30 C ATOM 1098 C LYS A 71 3.084 10.034 -7.808 1.00 33.40 C ATOM 1099 O LYS A 71 2.624 11.075 -8.278 1.00 72.40 O ATOM 1100 CB LYS A 71 2.523 9.178 -5.526 1.00 14.40 C ATOM 1101 CG LYS A 71 1.709 10.235 -4.798 1.00 35.50 C ATOM 1102 CD LYS A 71 2.495 10.853 -3.653 1.00 0.30 C ATOM 1103 CE LYS A 71 1.662 11.871 -2.891 1.00 41.30 C ATOM 1104 NZ LYS A 71 1.060 11.289 -1.660 1.00 42.00 N ATOM 0 H LYS A 71 2.743 7.065 -6.775 1.00 53.30 H new ATOM 0 HA LYS A 71 1.158 9.356 -7.176 1.00 34.30 H new ATOM 0 HB2 LYS A 71 2.348 8.210 -5.057 1.00 14.40 H new ATOM 0 HB3 LYS A 71 3.583 9.402 -5.407 1.00 14.40 H new ATOM 0 HG2 LYS A 71 1.413 11.015 -5.500 1.00 35.50 H new ATOM 0 HG3 LYS A 71 0.793 9.788 -4.412 1.00 35.50 H new ATOM 0 HD2 LYS A 71 2.825 10.069 -2.972 1.00 0.30 H new ATOM 0 HD3 LYS A 71 3.392 11.334 -4.044 1.00 0.30 H new ATOM 0 HE2 LYS A 71 2.287 12.722 -2.621 1.00 41.30 H new ATOM 0 HE3 LYS A 71 0.870 12.249 -3.538 1.00 41.30 H new ATOM 0 HZ1 LYS A 71 0.500 12.016 -1.170 1.00 42.00 H new ATOM 0 HZ2 LYS A 71 0.443 10.493 -1.918 1.00 42.00 H new ATOM 0 HZ3 LYS A 71 1.816 10.951 -1.030 1.00 42.00 H new ATOM 1118 N ASP A 72 4.355 9.675 -7.952 1.00 14.30 N ATOM 1119 CA ASP A 72 5.305 10.504 -8.686 1.00 24.40 C ATOM 1120 C ASP A 72 4.874 10.666 -10.140 1.00 22.50 C ATOM 1121 O ASP A 72 5.133 11.696 -10.760 1.00 33.40 O ATOM 1122 CB ASP A 72 6.704 9.890 -8.623 1.00 23.50 C ATOM 1123 CG ASP A 72 7.794 10.903 -8.917 1.00 32.10 C ATOM 1124 OD1 ASP A 72 8.035 11.781 -8.062 1.00 72.30 O ATOM 1125 OD2 ASP A 72 8.406 10.818 -10.000 1.00 54.40 O ATOM 0 H ASP A 72 4.751 8.816 -7.571 1.00 14.30 H new ATOM 0 HA ASP A 72 5.326 11.489 -8.219 1.00 24.40 H new ATOM 0 HB2 ASP A 72 6.866 9.463 -7.633 1.00 23.50 H new ATOM 0 HB3 ASP A 72 6.771 9.071 -9.339 1.00 23.50 H new ATOM 1130 N TYR A 73 4.216 9.643 -10.670 1.00 12.40 N ATOM 1131 CA TYR A 73 3.749 9.673 -12.050 1.00 12.00 C ATOM 1132 C TYR A 73 2.732 10.791 -12.260 1.00 33.30 C ATOM 1133 O TYR A 73 2.789 11.521 -13.250 1.00 13.50 O ATOM 1134 CB TYR A 73 3.130 8.327 -12.430 1.00 35.40 C ATOM 1135 CG TYR A 73 2.663 8.260 -13.870 1.00 72.10 C ATOM 1136 CD1 TYR A 73 1.433 8.786 -14.250 1.00 72.10 C ATOM 1137 CD2 TYR A 73 3.452 7.670 -14.850 1.00 43.10 C ATOM 1138 CE1 TYR A 73 1.003 8.725 -15.560 1.00 61.10 C ATOM 1139 CE2 TYR A 73 3.029 7.607 -16.160 1.00 40.20 C ATOM 1140 CZ TYR A 73 1.804 8.136 -16.510 1.00 0.14 C ATOM 1141 OH TYR A 73 1.379 8.074 -17.820 1.00 45.00 O ATOM 0 H TYR A 73 3.994 8.784 -10.167 1.00 12.40 H new ATOM 0 HA TYR A 73 4.608 9.865 -12.692 1.00 12.00 H new ATOM 0 HB2 TYR A 73 3.862 7.538 -12.257 1.00 35.40 H new ATOM 0 HB3 TYR A 73 2.284 8.127 -11.773 1.00 35.40 H new ATOM 0 HD1 TYR A 73 0.803 9.251 -13.506 1.00 72.10 H new ATOM 0 HD2 TYR A 73 4.412 7.254 -14.581 1.00 43.10 H new ATOM 0 HE1 TYR A 73 0.044 9.137 -15.837 1.00 61.10 H new ATOM 0 HE2 TYR A 73 3.654 7.145 -16.910 1.00 40.20 H new ATOM 0 HH TYR A 73 2.061 7.628 -18.364 1.00 45.00 H new ATOM 1151 N LEU A 74 1.802 10.919 -11.320 1.00 63.50 N ATOM 1152 CA LEU A 74 0.771 11.948 -11.400 1.00 42.10 C ATOM 1153 C LEU A 74 1.343 13.318 -11.050 1.00 60.30 C ATOM 1154 O LEU A 74 1.121 14.294 -11.770 1.00 34.40 O ATOM 1155 CB LEU A 74 -0.388 11.612 -10.460 1.00 42.20 C ATOM 1156 CG LEU A 74 -1.426 10.646 -11.030 1.00 20.10 C ATOM 1157 CD1 LEU A 74 -2.021 9.786 -9.929 1.00 51.40 C ATOM 1158 CD2 LEU A 74 -2.520 11.411 -11.760 1.00 54.30 C ATOM 0 H LEU A 74 1.741 10.324 -10.494 1.00 63.50 H new ATOM 0 HA LEU A 74 0.401 11.979 -12.425 1.00 42.10 H new ATOM 0 HB2 LEU A 74 0.020 11.184 -9.544 1.00 42.20 H new ATOM 0 HB3 LEU A 74 -0.891 12.539 -10.182 1.00 42.20 H new ATOM 0 HG LEU A 74 -0.928 9.990 -11.744 1.00 20.10 H new ATOM 0 HD11 LEU A 74 -2.757 9.106 -10.357 1.00 51.40 H new ATOM 0 HD12 LEU A 74 -1.230 9.210 -9.450 1.00 51.40 H new ATOM 0 HD13 LEU A 74 -2.504 10.425 -9.189 1.00 51.40 H new ATOM 0 HD21 LEU A 74 -3.251 10.708 -12.160 1.00 54.30 H new ATOM 0 HD22 LEU A 74 -3.013 12.092 -11.066 1.00 54.30 H new ATOM 0 HD23 LEU A 74 -2.081 11.982 -12.578 1.00 54.30 H new ATOM 1170 N ARG A 75 2.080 13.384 -9.951 1.00 11.30 N ATOM 1171 CA ARG A 75 2.684 14.635 -9.509 1.00 61.20 C ATOM 1172 C ARG A 75 3.670 15.161 -10.540 1.00 65.00 C ATOM 1173 O ARG A 75 3.845 16.370 -10.690 1.00 53.10 O ATOM 1174 CB ARG A 75 3.394 14.437 -8.168 1.00 35.20 C ATOM 1175 CG ARG A 75 2.503 14.696 -6.964 1.00 40.10 C ATOM 1176 CD ARG A 75 1.915 13.405 -6.419 1.00 52.10 C ATOM 1177 NE ARG A 75 0.620 13.096 -7.021 1.00 22.40 N ATOM 1178 CZ ARG A 75 -0.521 13.683 -6.669 1.00 61.50 C ATOM 1179 NH1 ARG A 75 -0.532 14.610 -5.718 1.00 35.40 N ATOM 1180 NH2 ARG A 75 -1.654 13.343 -7.268 1.00 74.10 N ATOM 0 H ARG A 75 2.275 12.585 -9.347 1.00 11.30 H new ATOM 0 HA ARG A 75 1.886 15.368 -9.389 1.00 61.20 H new ATOM 0 HB2 ARG A 75 3.775 13.417 -8.115 1.00 35.20 H new ATOM 0 HB3 ARG A 75 4.256 15.102 -8.121 1.00 35.20 H new ATOM 0 HG2 ARG A 75 3.079 15.193 -6.183 1.00 40.10 H new ATOM 0 HG3 ARG A 75 1.697 15.374 -7.245 1.00 40.10 H new ATOM 0 HD2 ARG A 75 2.607 12.584 -6.606 1.00 52.10 H new ATOM 0 HD3 ARG A 75 1.802 13.486 -5.338 1.00 52.10 H new ATOM 0 HE ARG A 75 0.589 12.388 -7.755 1.00 22.40 H new ATOM 0 HH11 ARG A 75 0.337 14.875 -5.254 1.00 35.40 H new ATOM 0 HH12 ARG A 75 -1.409 15.057 -5.452 1.00 35.40 H new ATOM 0 HH21 ARG A 75 -1.651 12.631 -7.999 1.00 74.10 H new ATOM 0 HH22 ARG A 75 -2.529 13.793 -6.998 1.00 74.10 H new TER 1194 ARG A 75 ATOM 1195 N GLU B 115 9.623 -3.809 10.423 1.00 23.30 N ATOM 1196 CA GLU B 115 8.259 -3.301 10.337 1.00 50.20 C ATOM 1197 C GLU B 115 8.242 -1.776 10.370 1.00 55.30 C ATOM 1198 O GLU B 115 7.376 -1.141 9.768 1.00 71.20 O ATOM 1199 CB GLU B 115 7.412 -3.856 11.483 1.00 42.40 C ATOM 1200 CG GLU B 115 6.746 -5.184 11.160 1.00 32.10 C ATOM 1201 CD GLU B 115 5.329 -5.271 11.693 1.00 44.10 C ATOM 1202 OE1 GLU B 115 4.429 -4.649 11.091 1.00 12.20 O ATOM 1203 OE2 GLU B 115 5.121 -5.960 12.714 1.00 23.00 O ATOM 0 HA GLU B 115 7.836 -3.631 9.388 1.00 50.20 H new ATOM 0 HB2 GLU B 115 8.043 -3.980 12.363 1.00 42.40 H new ATOM 0 HB3 GLU B 115 6.644 -3.127 11.742 1.00 42.40 H new ATOM 0 HG2 GLU B 115 6.733 -5.326 10.079 1.00 32.10 H new ATOM 0 HG3 GLU B 115 7.339 -5.996 11.581 1.00 32.10 H new ATOM 1210 N ASP B 116 9.206 -1.194 11.077 1.00 52.30 N ATOM 1211 CA ASP B 116 9.302 0.256 11.189 1.00 61.50 C ATOM 1212 C ASP B 116 9.758 0.876 9.871 1.00 42.30 C ATOM 1213 O ASP B 116 9.406 2.012 9.554 1.00 3.53 O ATOM 1214 CB ASP B 116 10.273 0.639 12.308 1.00 52.20 C ATOM 1215 CG ASP B 116 9.825 1.874 13.064 1.00 72.50 C ATOM 1216 OD1 ASP B 116 9.355 2.831 12.414 1.00 52.10 O ATOM 1217 OD2 ASP B 116 9.945 1.884 14.308 1.00 52.20 O ATOM 0 H ASP B 116 9.931 -1.705 11.581 1.00 52.30 H new ATOM 0 HA ASP B 116 8.311 0.642 11.428 1.00 61.50 H new ATOM 0 HB2 ASP B 116 10.369 -0.195 13.004 1.00 52.20 H new ATOM 0 HB3 ASP B 116 11.261 0.815 11.883 1.00 52.20 H new ATOM 1222 N GLN B 117 10.543 0.123 9.107 1.00 62.10 N ATOM 1223 CA GLN B 117 11.046 0.599 7.824 1.00 4.44 C ATOM 1224 C GLN B 117 9.898 0.959 6.886 1.00 5.04 C ATOM 1225 O GLN B 117 9.774 2.104 6.452 1.00 14.20 O ATOM 1226 CB GLN B 117 11.936 -0.463 7.176 1.00 34.30 C ATOM 1227 CG GLN B 117 13.014 0.114 6.273 1.00 71.40 C ATOM 1228 CD GLN B 117 13.855 -0.959 5.609 1.00 43.40 C ATOM 1229 OE1 GLN B 117 13.894 -1.063 4.383 1.00 45.40 O ATOM 1230 NE2 GLN B 117 14.532 -1.764 6.419 1.00 24.10 N ATOM 0 H GLN B 117 10.844 -0.819 9.355 1.00 62.10 H new ATOM 0 HA GLN B 117 11.636 1.497 8.005 1.00 4.44 H new ATOM 0 HB2 GLN B 117 12.409 -1.056 7.959 1.00 34.30 H new ATOM 0 HB3 GLN B 117 11.312 -1.142 6.595 1.00 34.30 H new ATOM 0 HG2 GLN B 117 12.547 0.731 5.505 1.00 71.40 H new ATOM 0 HG3 GLN B 117 13.661 0.767 6.858 1.00 71.40 H new ATOM 0 HE21 GLN B 117 14.470 -1.641 7.430 1.00 24.10 H new ATOM 0 HE22 GLN B 117 15.115 -2.506 6.031 1.00 24.10 H new ATOM 1239 N LEU B 118 9.061 -0.026 6.578 1.00 70.20 N ATOM 1240 CA LEU B 118 7.923 0.187 5.692 1.00 13.30 C ATOM 1241 C LEU B 118 6.846 1.021 6.378 1.00 64.20 C ATOM 1242 O LEU B 118 6.102 1.752 5.724 1.00 34.30 O ATOM 1243 CB LEU B 118 7.339 -1.155 5.244 1.00 4.11 C ATOM 1244 CG LEU B 118 6.671 -1.973 6.350 1.00 1.41 C ATOM 1245 CD1 LEU B 118 5.508 -2.778 5.790 1.00 21.40 C ATOM 1246 CD2 LEU B 118 7.684 -2.891 7.018 1.00 24.10 C ATOM 0 H LEU B 118 9.150 -0.980 6.929 1.00 70.20 H new ATOM 0 HA LEU B 118 8.275 0.732 4.816 1.00 13.30 H new ATOM 0 HB2 LEU B 118 6.607 -0.971 4.457 1.00 4.11 H new ATOM 0 HB3 LEU B 118 8.137 -1.752 4.803 1.00 4.11 H new ATOM 0 HG LEU B 118 6.282 -1.285 7.101 1.00 1.41 H new ATOM 0 HD11 LEU B 118 5.045 -3.354 6.591 1.00 21.40 H new ATOM 0 HD12 LEU B 118 4.772 -2.101 5.357 1.00 21.40 H new ATOM 0 HD13 LEU B 118 5.873 -3.457 5.020 1.00 21.40 H new ATOM 0 HD21 LEU B 118 7.192 -3.466 7.803 1.00 24.10 H new ATOM 0 HD22 LEU B 118 8.102 -3.572 6.277 1.00 24.10 H new ATOM 0 HD23 LEU B 118 8.485 -2.293 7.454 1.00 24.10 H new ATOM 1258 N SER B 119 6.767 0.907 7.700 1.00 35.00 N ATOM 1259 CA SER B 119 5.780 1.651 8.474 1.00 23.50 C ATOM 1260 C SER B 119 6.020 3.153 8.360 1.00 23.10 C ATOM 1261 O SER B 119 5.074 3.940 8.301 1.00 71.10 O ATOM 1262 CB SER B 119 5.827 1.226 9.943 1.00 61.20 C ATOM 1263 OG SER B 119 4.908 1.975 10.720 1.00 41.10 O ATOM 0 H SER B 119 7.375 0.307 8.257 1.00 35.00 H new ATOM 0 HA SER B 119 4.793 1.426 8.069 1.00 23.50 H new ATOM 0 HB2 SER B 119 5.597 0.164 10.025 1.00 61.20 H new ATOM 0 HB3 SER B 119 6.835 1.364 10.333 1.00 61.20 H new ATOM 0 HG SER B 119 4.956 1.684 11.654 1.00 41.10 H new ATOM 1269 N ARG B 120 7.289 3.544 8.329 1.00 33.10 N ATOM 1270 CA ARG B 120 7.653 4.952 8.221 1.00 41.30 C ATOM 1271 C ARG B 120 7.374 5.481 6.818 1.00 74.40 C ATOM 1272 O ARG B 120 6.834 6.574 6.651 1.00 12.10 O ATOM 1273 CB ARG B 120 9.130 5.147 8.568 1.00 65.30 C ATOM 1274 CG ARG B 120 9.516 6.600 8.791 1.00 10.40 C ATOM 1275 CD ARG B 120 10.942 6.876 8.340 1.00 34.00 C ATOM 1276 NE ARG B 120 11.836 7.121 9.469 1.00 34.40 N ATOM 1277 CZ ARG B 120 12.366 6.157 10.219 1.00 51.40 C ATOM 1278 NH1 ARG B 120 12.095 4.883 9.964 1.00 24.30 N ATOM 1279 NH2 ARG B 120 13.170 6.468 11.227 1.00 31.00 N ATOM 0 H ARG B 120 8.083 2.906 8.377 1.00 33.10 H new ATOM 0 HA ARG B 120 7.043 5.514 8.929 1.00 41.30 H new ATOM 0 HB2 ARG B 120 9.362 4.576 9.467 1.00 65.30 H new ATOM 0 HB3 ARG B 120 9.741 4.737 7.764 1.00 65.30 H new ATOM 0 HG2 ARG B 120 8.829 7.247 8.245 1.00 10.40 H new ATOM 0 HG3 ARG B 120 9.414 6.846 9.848 1.00 10.40 H new ATOM 0 HD2 ARG B 120 11.310 6.027 7.764 1.00 34.00 H new ATOM 0 HD3 ARG B 120 10.951 7.740 7.676 1.00 34.00 H new ATOM 0 HE ARG B 120 12.068 8.088 9.696 1.00 34.40 H new ATOM 0 HH11 ARG B 120 11.478 4.638 9.190 1.00 24.30 H new ATOM 0 HH12 ARG B 120 12.504 4.149 10.542 1.00 24.30 H new ATOM 0 HH21 ARG B 120 13.382 7.445 11.427 1.00 31.00 H new ATOM 0 HH22 ARG B 120 13.576 5.730 11.802 1.00 31.00 H new ATOM 1293 N ARG B 121 7.746 4.696 5.811 1.00 65.20 N ATOM 1294 CA ARG B 121 7.536 5.085 4.422 1.00 44.30 C ATOM 1295 C ARG B 121 6.052 5.287 4.132 1.00 72.40 C ATOM 1296 O ARG B 121 5.679 6.119 3.305 1.00 63.20 O ATOM 1297 CB ARG B 121 8.112 4.025 3.481 1.00 63.20 C ATOM 1298 CG ARG B 121 9.622 3.886 3.573 1.00 52.40 C ATOM 1299 CD ARG B 121 10.089 2.533 3.060 1.00 12.10 C ATOM 1300 NE ARG B 121 11.358 2.628 2.342 1.00 41.20 N ATOM 1301 CZ ARG B 121 11.468 3.050 1.084 1.00 64.40 C ATOM 1302 NH1 ARG B 121 10.389 3.417 0.403 1.00 50.50 N ATOM 1303 NH2 ARG B 121 12.660 3.106 0.506 1.00 31.40 N ATOM 0 H ARG B 121 8.194 3.788 5.932 1.00 65.20 H new ATOM 0 HA ARG B 121 8.053 6.030 4.253 1.00 44.30 H new ATOM 0 HB2 ARG B 121 7.653 3.063 3.707 1.00 63.20 H new ATOM 0 HB3 ARG B 121 7.840 4.275 2.456 1.00 63.20 H new ATOM 0 HG2 ARG B 121 10.097 4.679 2.996 1.00 52.40 H new ATOM 0 HG3 ARG B 121 9.938 4.012 4.609 1.00 52.40 H new ATOM 0 HD2 ARG B 121 10.198 1.845 3.899 1.00 12.10 H new ATOM 0 HD3 ARG B 121 9.330 2.114 2.400 1.00 12.10 H new ATOM 0 HE ARG B 121 12.209 2.355 2.833 1.00 41.20 H new ATOM 0 HH11 ARG B 121 9.470 3.377 0.843 1.00 50.50 H new ATOM 0 HH12 ARG B 121 10.479 3.739 -0.560 1.00 50.50 H new ATOM 0 HH21 ARG B 121 13.492 2.826 1.025 1.00 31.40 H new ATOM 0 HH22 ARG B 121 12.745 3.429 -0.458 1.00 31.40 H new ATOM 1317 N LEU B 122 5.211 4.521 4.818 1.00 71.20 N ATOM 1318 CA LEU B 122 3.767 4.616 4.634 1.00 11.30 C ATOM 1319 C LEU B 122 3.219 5.886 5.277 1.00 21.10 C ATOM 1320 O LEU B 122 2.300 6.513 4.750 1.00 52.20 O ATOM 1321 CB LEU B 122 3.074 3.389 5.230 1.00 44.20 C ATOM 1322 CG LEU B 122 1.716 3.049 4.613 1.00 4.53 C ATOM 1323 CD1 LEU B 122 1.484 1.546 4.630 1.00 43.20 C ATOM 1324 CD2 LEU B 122 0.601 3.771 5.353 1.00 12.20 C ATOM 0 H LEU B 122 5.504 3.828 5.506 1.00 71.20 H new ATOM 0 HA LEU B 122 3.564 4.655 3.564 1.00 11.30 H new ATOM 0 HB2 LEU B 122 3.733 2.528 5.117 1.00 44.20 H new ATOM 0 HB3 LEU B 122 2.940 3.550 6.300 1.00 44.20 H new ATOM 0 HG LEU B 122 1.714 3.384 3.576 1.00 4.53 H new ATOM 0 HD11 LEU B 122 0.513 1.323 4.187 1.00 43.20 H new ATOM 0 HD12 LEU B 122 2.267 1.050 4.056 1.00 43.20 H new ATOM 0 HD13 LEU B 122 1.505 1.186 5.659 1.00 43.20 H new ATOM 0 HD21 LEU B 122 -0.358 3.518 4.902 1.00 12.20 H new ATOM 0 HD22 LEU B 122 0.601 3.465 6.399 1.00 12.20 H new ATOM 0 HD23 LEU B 122 0.760 4.848 5.289 1.00 12.20 H new ATOM 1336 N ALA B 123 3.790 6.259 6.417 1.00 11.20 N ATOM 1337 CA ALA B 123 3.359 7.454 7.132 1.00 62.10 C ATOM 1338 C ALA B 123 3.584 8.707 6.293 1.00 71.10 C ATOM 1339 O ALA B 123 2.730 9.592 6.237 1.00 61.10 O ATOM 1340 CB ALA B 123 4.091 7.568 8.460 1.00 75.00 C ATOM 0 H ALA B 123 4.552 5.751 6.866 1.00 11.20 H new ATOM 0 HA ALA B 123 2.290 7.365 7.326 1.00 62.10 H new ATOM 0 HB1 ALA B 123 3.759 8.465 8.983 1.00 75.00 H new ATOM 0 HB2 ALA B 123 3.875 6.691 9.071 1.00 75.00 H new ATOM 0 HB3 ALA B 123 5.164 7.630 8.280 1.00 75.00 H new ATOM 1346 N ALA B 124 4.740 8.775 5.640 1.00 64.30 N ATOM 1347 CA ALA B 124 5.078 9.920 4.803 1.00 53.50 C ATOM 1348 C ALA B 124 4.227 9.946 3.538 1.00 64.50 C ATOM 1349 O ALA B 124 3.911 11.013 3.012 1.00 50.40 O ATOM 1350 CB ALA B 124 6.557 9.893 4.445 1.00 55.30 C ATOM 0 H ALA B 124 5.458 8.051 5.675 1.00 64.30 H new ATOM 0 HA ALA B 124 4.868 10.827 5.369 1.00 53.50 H new ATOM 0 HB1 ALA B 124 6.796 10.753 3.820 1.00 55.30 H new ATOM 0 HB2 ALA B 124 7.153 9.931 5.357 1.00 55.30 H new ATOM 0 HB3 ALA B 124 6.783 8.976 3.901 1.00 55.30 H new ATOM 1356 N LEU B 125 3.857 8.764 3.055 1.00 5.01 N ATOM 1357 CA LEU B 125 3.042 8.651 1.852 1.00 12.40 C ATOM 1358 C LEU B 125 1.698 9.348 2.038 1.00 71.40 C ATOM 1359 O LEU B 125 1.276 10.140 1.195 1.00 5.40 O ATOM 1360 CB LEU B 125 2.821 7.180 1.496 1.00 33.10 C ATOM 1361 CG LEU B 125 2.533 6.907 0.019 1.00 4.52 C ATOM 1362 CD1 LEU B 125 3.832 6.751 -0.757 1.00 34.40 C ATOM 1363 CD2 LEU B 125 1.667 5.666 -0.134 1.00 72.20 C ATOM 0 H LEU B 125 4.109 7.871 3.479 1.00 5.01 H new ATOM 0 HA LEU B 125 3.575 9.139 1.036 1.00 12.40 H new ATOM 0 HB2 LEU B 125 3.706 6.614 1.788 1.00 33.10 H new ATOM 0 HB3 LEU B 125 1.989 6.800 2.089 1.00 33.10 H new ATOM 0 HG LEU B 125 1.989 7.759 -0.390 1.00 4.52 H new ATOM 0 HD11 LEU B 125 3.608 6.557 -1.806 1.00 34.40 H new ATOM 0 HD12 LEU B 125 4.418 7.667 -0.674 1.00 34.40 H new ATOM 0 HD13 LEU B 125 4.402 5.917 -0.348 1.00 34.40 H new ATOM 0 HD21 LEU B 125 1.472 5.487 -1.191 1.00 72.20 H new ATOM 0 HD22 LEU B 125 2.185 4.806 0.290 1.00 72.20 H new ATOM 0 HD23 LEU B 125 0.722 5.815 0.389 1.00 72.20 H new ATOM 1375 N ARG B 126 1.031 9.049 3.148 1.00 22.20 N ATOM 1376 CA ARG B 126 -0.266 9.647 3.445 1.00 25.00 C ATOM 1377 C ARG B 126 -0.152 11.164 3.557 1.00 4.41 C ATOM 1378 O ARG B 126 0.558 11.682 4.419 1.00 43.10 O ATOM 1379 CB ARG B 126 -0.832 9.070 4.744 1.00 12.30 C ATOM 1380 CG ARG B 126 -1.104 7.576 4.677 1.00 30.20 C ATOM 1381 CD ARG B 126 -2.322 7.194 5.503 1.00 34.50 C ATOM 1382 NE ARG B 126 -2.278 7.775 6.843 1.00 4.03 N ATOM 1383 CZ ARG B 126 -3.336 7.871 7.644 1.00 64.40 C ATOM 1384 NH1 ARG B 126 -4.522 7.428 7.245 1.00 33.10 N ATOM 1385 NH2 ARG B 126 -3.209 8.413 8.848 1.00 70.40 N ATOM 0 H ARG B 126 1.367 8.397 3.856 1.00 22.20 H new ATOM 0 HA ARG B 126 -0.944 9.410 2.625 1.00 25.00 H new ATOM 0 HB2 ARG B 126 -0.131 9.268 5.555 1.00 12.30 H new ATOM 0 HB3 ARG B 126 -1.758 9.589 4.989 1.00 12.30 H new ATOM 0 HG2 ARG B 126 -1.259 7.279 3.640 1.00 30.20 H new ATOM 0 HG3 ARG B 126 -0.232 7.030 5.038 1.00 30.20 H new ATOM 0 HD2 ARG B 126 -3.225 7.528 4.993 1.00 34.50 H new ATOM 0 HD3 ARG B 126 -2.382 6.108 5.580 1.00 34.50 H new ATOM 0 HE ARG B 126 -1.384 8.128 7.184 1.00 4.03 H new ATOM 0 HH11 ARG B 126 -4.626 7.011 6.320 1.00 33.10 H new ATOM 0 HH12 ARG B 126 -5.329 7.504 7.864 1.00 33.10 H new ATOM 0 HH21 ARG B 126 -2.300 8.756 9.160 1.00 70.40 H new ATOM 0 HH22 ARG B 126 -4.020 8.487 9.462 1.00 70.40 H new ATOM 1399 N ASN B 127 -0.857 11.872 2.680 1.00 31.10 N ATOM 1400 CA ASN B 127 -0.835 13.330 2.680 1.00 52.10 C ATOM 1401 C ASN B 127 -1.754 13.887 3.763 1.00 13.40 C ATOM 1402 O ASN B 127 -1.790 15.125 3.927 1.00 54.30 O ATOM 1403 CB ASN B 127 -1.256 13.867 1.311 1.00 33.40 C ATOM 1404 CG ASN B 127 -2.620 13.359 0.885 1.00 34.20 C ATOM 1405 OD1 ASN B 127 -3.647 13.945 1.227 1.00 13.10 O ATOM 1406 ND2 ASN B 127 -2.635 12.264 0.135 1.00 54.40 N ATOM 1407 OXT ASN B 127 -2.429 13.082 4.437 1.00 39.50 O ATOM 0 H ASN B 127 -1.450 11.459 1.960 1.00 31.10 H new ATOM 0 HA ASN B 127 0.184 13.654 2.891 1.00 52.10 H new ATOM 0 HB2 ASN B 127 -1.270 14.957 1.340 1.00 33.40 H new ATOM 0 HB3 ASN B 127 -0.515 13.577 0.566 1.00 33.40 H new ATOM 0 HD21 ASN B 127 -3.523 11.875 -0.182 1.00 54.40 H new ATOM 0 HD22 ASN B 127 -1.758 11.811 -0.124 1.00 54.40 H new TER 1414 ASN B 127