USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 693 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 HE2:sc= -0.129 K(o=-0.13,f=-1.4!) USER MOD Set 1.2: A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 12:sc= 0.672 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.507 F(o=-1.1,f=-0.51) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 87:sc= 1.21 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.255 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= 1.06 K(o=1.1,f=-1.5) 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= -2.11 X(o=-2.1,f=-2) USER MOD Single : A 34 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -138:sc= -0.0116 (180deg=-0.42) USER MOD Single : A 48 HIS : no HD1:sc=-0.00476 X(o=-0.0048,f=-0.08) USER MOD Single : A 49 SER OG : rot 39:sc= 0.789 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 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 69:sc= -0.848 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 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 ----------------------------------------------------------------- ATOM 1 N THR A 5 -9.710 -8.649 8.067 1.00 2.34 N ATOM 2 CA THR A 5 -8.472 -7.952 7.736 1.00 50.20 C ATOM 3 C THR A 5 -7.752 -8.641 6.582 1.00 41.10 C ATOM 4 O THR A 5 -7.283 -7.986 5.651 1.00 74.20 O ATOM 5 CB THR A 5 -7.556 -7.888 8.959 1.00 12.40 C ATOM 6 OG1 THR A 5 -8.305 -8.012 10.154 1.00 3.52 O ATOM 7 CG2 THR A 5 -6.763 -6.602 9.046 1.00 71.40 C ATOM 0 HA THR A 5 -8.726 -6.938 7.428 1.00 50.20 H new ATOM 0 HB THR A 5 -6.860 -8.718 8.842 1.00 12.40 H new ATOM 0 HG1 THR A 5 -9.217 -8.300 9.940 1.00 3.52 H new ATOM 0 HG21 THR A 5 -6.134 -6.622 9.936 1.00 71.40 H new ATOM 0 HG22 THR A 5 -6.135 -6.501 8.160 1.00 71.40 H new ATOM 0 HG23 THR A 5 -7.447 -5.756 9.104 1.00 71.40 H new ATOM 15 N LEU A 6 -7.667 -9.965 6.649 1.00 1.20 N ATOM 16 CA LEU A 6 -7.004 -10.740 5.609 1.00 52.10 C ATOM 17 C LEU A 6 -7.767 -10.650 4.292 1.00 24.40 C ATOM 18 O LEU A 6 -7.187 -10.360 3.245 1.00 22.50 O ATOM 19 CB LEU A 6 -6.876 -12.200 6.039 1.00 60.20 C ATOM 20 CG LEU A 6 -5.625 -12.530 6.856 1.00 52.20 C ATOM 21 CD1 LEU A 6 -4.378 -12.410 5.994 1.00 70.50 C ATOM 22 CD2 LEU A 6 -5.528 -11.620 8.069 1.00 11.40 C ATOM 0 H LEU A 6 -8.049 -10.523 7.413 1.00 1.20 H new ATOM 0 HA LEU A 6 -6.008 -10.323 5.459 1.00 52.10 H new ATOM 0 HB2 LEU A 6 -7.755 -12.468 6.625 1.00 60.20 H new ATOM 0 HB3 LEU A 6 -6.884 -12.827 5.147 1.00 60.20 H new ATOM 0 HG LEU A 6 -5.701 -13.560 7.205 1.00 52.20 H new ATOM 0 HD11 LEU A 6 -3.498 -12.648 6.592 1.00 70.50 H new ATOM 0 HD12 LEU A 6 -4.447 -13.104 5.156 1.00 70.50 H new ATOM 0 HD13 LEU A 6 -4.294 -11.391 5.615 1.00 70.50 H new ATOM 0 HD21 LEU A 6 -4.633 -11.868 8.639 1.00 11.40 H new ATOM 0 HD22 LEU A 6 -5.474 -10.582 7.742 1.00 11.40 H new ATOM 0 HD23 LEU A 6 -6.408 -11.757 8.698 1.00 11.40 H new ATOM 34 N GLN A 7 -9.071 -10.900 4.351 1.00 32.20 N ATOM 35 CA GLN A 7 -9.914 -10.850 3.162 1.00 61.20 C ATOM 36 C GLN A 7 -9.890 -9.459 2.540 1.00 65.20 C ATOM 37 O GLN A 7 -9.821 -9.315 1.319 1.00 3.04 O ATOM 38 CB GLN A 7 -11.350 -11.240 3.513 1.00 54.10 C ATOM 39 CG GLN A 7 -12.160 -11.690 2.313 1.00 24.30 C ATOM 40 CD GLN A 7 -11.590 -12.930 1.651 1.00 11.50 C ATOM 41 OE1 GLN A 7 -10.650 -12.730 0.738 1.00 73.10 O flip ATOM 42 NE2 GLN A 7 -11.990 -14.050 1.956 1.00 13.30 N flip ATOM 0 H GLN A 7 -9.567 -11.139 5.210 1.00 32.20 H new ATOM 0 HA GLN A 7 -9.520 -11.561 2.436 1.00 61.20 H new ATOM 0 HB2 GLN A 7 -11.331 -12.042 4.251 1.00 54.10 H new ATOM 0 HB3 GLN A 7 -11.847 -10.389 3.979 1.00 54.10 H new ATOM 0 HG2 GLN A 7 -13.185 -11.889 2.626 1.00 24.30 H new ATOM 0 HG3 GLN A 7 -12.201 -10.881 1.584 1.00 24.30 H new ATOM 0 HE21 GLN A 7 -12.716 -14.157 2.665 1.00 13.30 H new ATOM 0 HE22 GLN A 7 -11.597 -14.874 1.501 1.00 13.30 H new ATOM 51 N LYS A 8 -9.947 -8.436 3.387 1.00 41.10 N ATOM 52 CA LYS A 8 -9.932 -7.055 2.920 1.00 14.20 C ATOM 53 C LYS A 8 -8.565 -6.687 2.354 1.00 62.30 C ATOM 54 O LYS A 8 -8.462 -5.897 1.415 1.00 65.10 O ATOM 55 CB LYS A 8 -10.290 -6.104 4.062 1.00 2.20 C ATOM 56 CG LYS A 8 -11.790 -5.896 4.225 1.00 72.30 C ATOM 57 CD LYS A 8 -12.290 -4.749 3.363 1.00 51.10 C ATOM 58 CE LYS A 8 -13.780 -4.534 3.535 1.00 75.00 C ATOM 59 NZ LYS A 8 -14.260 -3.319 2.815 1.00 60.10 N ATOM 0 H LYS A 8 -10.004 -8.538 4.400 1.00 41.10 H new ATOM 0 HA LYS A 8 -10.674 -6.960 2.128 1.00 14.20 H new ATOM 0 HB2 LYS A 8 -9.881 -6.496 4.993 1.00 2.20 H new ATOM 0 HB3 LYS A 8 -9.814 -5.140 3.885 1.00 2.20 H new ATOM 0 HG2 LYS A 8 -12.317 -6.811 3.956 1.00 72.30 H new ATOM 0 HG3 LYS A 8 -12.019 -5.693 5.271 1.00 72.30 H new ATOM 0 HD2 LYS A 8 -11.757 -3.835 3.626 1.00 51.10 H new ATOM 0 HD3 LYS A 8 -12.070 -4.956 2.316 1.00 51.10 H new ATOM 0 HE2 LYS A 8 -14.317 -5.408 3.167 1.00 75.00 H new ATOM 0 HE3 LYS A 8 -14.012 -4.441 4.596 1.00 75.00 H new ATOM 0 HZ1 LYS A 8 -15.284 -3.211 2.960 1.00 60.10 H new ATOM 0 HZ2 LYS A 8 -13.768 -2.480 3.183 1.00 60.10 H new ATOM 0 HZ3 LYS A 8 -14.063 -3.417 1.799 1.00 60.10 H new ATOM 73 N ALA A 9 -7.516 -7.266 2.930 1.00 15.10 N ATOM 74 CA ALA A 9 -6.155 -6.999 2.483 1.00 64.30 C ATOM 75 C ALA A 9 -5.970 -7.393 1.022 1.00 63.10 C ATOM 76 O ALA A 9 -5.485 -6.603 0.212 1.00 12.00 O ATOM 77 CB ALA A 9 -5.157 -7.739 3.361 1.00 13.20 C ATOM 0 H ALA A 9 -7.583 -7.923 3.707 1.00 15.10 H new ATOM 0 HA ALA A 9 -5.974 -5.928 2.569 1.00 64.30 H new ATOM 0 HB1 ALA A 9 -4.144 -7.531 3.016 1.00 13.20 H new ATOM 0 HB2 ALA A 9 -5.264 -7.406 4.393 1.00 13.20 H new ATOM 0 HB3 ALA A 9 -5.347 -8.811 3.304 1.00 13.20 H new ATOM 83 N ILE A 10 -6.361 -8.619 0.691 1.00 31.50 N ATOM 84 CA ILE A 10 -6.239 -9.118 -0.673 1.00 65.10 C ATOM 85 C ILE A 10 -7.154 -8.351 -1.621 1.00 31.20 C ATOM 86 O ILE A 10 -6.731 -7.913 -2.691 1.00 35.40 O ATOM 87 CB ILE A 10 -6.574 -10.620 -0.756 1.00 23.30 C ATOM 88 CG1 ILE A 10 -5.785 -11.400 0.295 1.00 22.30 C ATOM 89 CG2 ILE A 10 -6.281 -11.150 -2.151 1.00 1.10 C ATOM 90 CD1 ILE A 10 -6.593 -12.480 0.972 1.00 21.30 C ATOM 0 H ILE A 10 -6.765 -9.285 1.349 1.00 31.50 H new ATOM 0 HA ILE A 10 -5.202 -8.969 -0.972 1.00 65.10 H new ATOM 0 HB ILE A 10 -7.637 -10.753 -0.554 1.00 23.30 H new ATOM 0 HG12 ILE A 10 -4.913 -11.852 -0.178 1.00 22.30 H new ATOM 0 HG13 ILE A 10 -5.415 -10.706 1.050 1.00 22.30 H new ATOM 0 HG21 ILE A 10 -6.522 -12.212 -2.195 1.00 1.10 H new ATOM 0 HG22 ILE A 10 -6.886 -10.610 -2.880 1.00 1.10 H new ATOM 0 HG23 ILE A 10 -5.225 -11.008 -2.380 1.00 1.10 H new ATOM 0 HD11 ILE A 10 -5.972 -12.993 1.706 1.00 21.30 H new ATOM 0 HD12 ILE A 10 -7.451 -12.032 1.473 1.00 21.30 H new ATOM 0 HD13 ILE A 10 -6.941 -13.195 0.227 1.00 21.30 H new ATOM 102 N ASP A 11 -8.412 -8.192 -1.221 1.00 33.40 N ATOM 103 CA ASP A 11 -9.389 -7.477 -2.035 1.00 74.10 C ATOM 104 C ASP A 11 -8.938 -6.042 -2.291 1.00 64.00 C ATOM 105 O ASP A 11 -9.240 -5.463 -3.334 1.00 13.40 O ATOM 106 CB ASP A 11 -10.750 -7.480 -1.348 1.00 15.30 C ATOM 107 CG ASP A 11 -11.900 -7.524 -2.340 1.00 63.10 C ATOM 108 OD1 ASP A 11 -12.090 -8.581 -2.975 1.00 55.50 O ATOM 109 OD2 ASP A 11 -12.600 -6.501 -2.481 1.00 20.20 O ATOM 0 H ASP A 11 -8.779 -8.549 -0.338 1.00 33.40 H new ATOM 0 HA ASP A 11 -9.472 -7.988 -2.994 1.00 74.10 H new ATOM 0 HB2 ASP A 11 -10.816 -8.340 -0.682 1.00 15.30 H new ATOM 0 HB3 ASP A 11 -10.843 -6.588 -0.728 1.00 15.30 H new ATOM 114 N LEU A 12 -8.214 -5.475 -1.332 1.00 71.40 N ATOM 115 CA LEU A 12 -7.722 -4.108 -1.454 1.00 53.30 C ATOM 116 C LEU A 12 -6.603 -4.023 -2.487 1.00 3.21 C ATOM 117 O LEU A 12 -6.652 -3.204 -3.405 1.00 45.50 O ATOM 118 CB LEU A 12 -7.222 -3.600 -0.100 1.00 2.14 C ATOM 119 CG LEU A 12 -8.310 -3.068 0.834 1.00 44.40 C ATOM 120 CD1 LEU A 12 -7.838 -3.104 2.279 1.00 33.30 C ATOM 121 CD2 LEU A 12 -8.707 -1.654 0.436 1.00 32.20 C ATOM 0 H LEU A 12 -7.955 -5.941 -0.462 1.00 71.40 H new ATOM 0 HA LEU A 12 -8.548 -3.480 -1.787 1.00 53.30 H new ATOM 0 HB2 LEU A 12 -6.697 -4.411 0.404 1.00 2.14 H new ATOM 0 HB3 LEU A 12 -6.494 -2.808 -0.273 1.00 2.14 H new ATOM 0 HG LEU A 12 -9.186 -3.710 0.744 1.00 44.40 H new ATOM 0 HD11 LEU A 12 -8.625 -2.722 2.929 1.00 33.30 H new ATOM 0 HD12 LEU A 12 -7.603 -4.131 2.559 1.00 33.30 H new ATOM 0 HD13 LEU A 12 -6.947 -2.485 2.386 1.00 33.30 H new ATOM 0 HD21 LEU A 12 -9.482 -1.290 1.111 1.00 32.20 H new ATOM 0 HD22 LEU A 12 -7.837 -1.001 0.497 1.00 32.20 H new ATOM 0 HD23 LEU A 12 -9.087 -1.657 -0.586 1.00 32.20 H new ATOM 133 N VAL A 13 -5.595 -4.875 -2.331 1.00 13.50 N ATOM 134 CA VAL A 13 -4.464 -4.898 -3.250 1.00 21.30 C ATOM 135 C VAL A 13 -4.901 -5.326 -4.648 1.00 13.20 C ATOM 136 O VAL A 13 -4.361 -4.855 -5.649 1.00 22.20 O ATOM 137 CB VAL A 13 -3.356 -5.846 -2.751 1.00 24.50 C ATOM 138 CG1 VAL A 13 -3.870 -7.275 -2.663 1.00 41.50 C ATOM 139 CG2 VAL A 13 -2.135 -5.764 -3.654 1.00 42.10 C ATOM 0 H VAL A 13 -5.539 -5.559 -1.576 1.00 13.50 H new ATOM 0 HA VAL A 13 -4.068 -3.883 -3.294 1.00 21.30 H new ATOM 0 HB VAL A 13 -3.060 -5.531 -1.750 1.00 24.50 H new ATOM 0 HG11 VAL A 13 -3.072 -7.928 -2.309 1.00 41.50 H new ATOM 0 HG12 VAL A 13 -4.709 -7.318 -1.968 1.00 41.50 H new ATOM 0 HG13 VAL A 13 -4.198 -7.605 -3.649 1.00 41.50 H new ATOM 0 HG21 VAL A 13 -1.364 -6.440 -3.285 1.00 42.10 H new ATOM 0 HG22 VAL A 13 -2.413 -6.049 -4.669 1.00 42.10 H new ATOM 0 HG23 VAL A 13 -1.752 -4.744 -3.656 1.00 42.10 H new ATOM 149 N THR A 14 -5.882 -6.221 -4.708 1.00 55.20 N ATOM 150 CA THR A 14 -6.391 -6.712 -5.983 1.00 24.00 C ATOM 151 C THR A 14 -6.943 -5.566 -6.825 1.00 20.20 C ATOM 152 O THR A 14 -6.592 -5.417 -7.996 1.00 70.20 O ATOM 153 CB THR A 14 -7.480 -7.762 -5.752 1.00 22.20 C ATOM 154 OG1 THR A 14 -6.979 -8.844 -4.987 1.00 74.40 O ATOM 155 CG2 THR A 14 -8.046 -8.332 -7.035 1.00 43.30 C ATOM 0 H THR A 14 -6.340 -6.621 -3.889 1.00 55.20 H new ATOM 0 HA THR A 14 -5.563 -7.171 -6.524 1.00 24.00 H new ATOM 0 HB THR A 14 -8.277 -7.239 -5.224 1.00 22.20 H new ATOM 0 HG1 THR A 14 -7.074 -8.642 -4.033 1.00 74.40 H new ATOM 0 HG21 THR A 14 -8.813 -9.070 -6.798 1.00 43.30 H new ATOM 0 HG22 THR A 14 -8.486 -7.529 -7.627 1.00 43.30 H new ATOM 0 HG23 THR A 14 -7.248 -8.808 -7.605 1.00 43.30 H new ATOM 163 N LYS A 15 -7.806 -4.757 -6.220 1.00 33.30 N ATOM 164 CA LYS A 15 -8.405 -3.623 -6.914 1.00 70.40 C ATOM 165 C LYS A 15 -7.332 -2.650 -7.391 1.00 20.20 C ATOM 166 O LYS A 15 -7.458 -2.043 -8.455 1.00 64.00 O ATOM 167 CB LYS A 15 -9.394 -2.901 -5.997 1.00 41.30 C ATOM 168 CG LYS A 15 -10.720 -3.621 -5.849 1.00 65.30 C ATOM 169 CD LYS A 15 -11.720 -3.173 -6.905 1.00 54.40 C ATOM 170 CE LYS A 15 -12.670 -2.124 -6.359 1.00 25.20 C ATOM 171 NZ LYS A 15 -13.010 -1.094 -7.380 1.00 3.34 N ATOM 0 H LYS A 15 -8.106 -4.865 -5.251 1.00 33.30 H new ATOM 0 HA LYS A 15 -8.939 -4.003 -7.785 1.00 70.40 H new ATOM 0 HB2 LYS A 15 -8.943 -2.782 -5.012 1.00 41.30 H new ATOM 0 HB3 LYS A 15 -9.575 -1.900 -6.388 1.00 41.30 H new ATOM 0 HG2 LYS A 15 -10.562 -4.696 -5.929 1.00 65.30 H new ATOM 0 HG3 LYS A 15 -11.129 -3.432 -4.856 1.00 65.30 H new ATOM 0 HD2 LYS A 15 -11.186 -2.770 -7.766 1.00 54.40 H new ATOM 0 HD3 LYS A 15 -12.289 -4.033 -7.257 1.00 54.40 H new ATOM 0 HE2 LYS A 15 -13.584 -2.607 -6.013 1.00 25.20 H new ATOM 0 HE3 LYS A 15 -12.218 -1.641 -5.493 1.00 25.20 H new ATOM 0 HZ1 LYS A 15 -13.661 -0.397 -6.966 1.00 3.34 H new ATOM 0 HZ2 LYS A 15 -12.141 -0.614 -7.692 1.00 3.34 H new ATOM 0 HZ3 LYS A 15 -13.465 -1.551 -8.196 1.00 3.34 H new ATOM 185 N ALA A 16 -6.276 -2.507 -6.596 1.00 71.30 N ATOM 186 CA ALA A 16 -5.180 -1.609 -6.937 1.00 31.30 C ATOM 187 C ALA A 16 -4.454 -2.081 -8.192 1.00 15.40 C ATOM 188 O ALA A 16 -4.072 -1.275 -9.041 1.00 11.10 O ATOM 189 CB ALA A 16 -4.207 -1.500 -5.772 1.00 54.20 C ATOM 0 H ALA A 16 -6.157 -3.002 -5.712 1.00 71.30 H new ATOM 0 HA ALA A 16 -5.599 -0.624 -7.141 1.00 31.30 H new ATOM 0 HB1 ALA A 16 -3.393 -0.826 -6.040 1.00 54.20 H new ATOM 0 HB2 ALA A 16 -4.728 -1.110 -4.898 1.00 54.20 H new ATOM 0 HB3 ALA A 16 -3.802 -2.486 -5.543 1.00 54.20 H new ATOM 195 N THR A 17 -4.269 -3.393 -8.304 1.00 41.40 N ATOM 196 CA THR A 17 -3.590 -3.973 -9.457 1.00 61.10 C ATOM 197 C THR A 17 -4.335 -3.647 -10.740 1.00 21.10 C ATOM 198 O THR A 17 -3.723 -3.333 -11.760 1.00 54.40 O ATOM 199 CB THR A 17 -3.468 -5.489 -9.294 1.00 2.34 C ATOM 200 OG1 THR A 17 -3.545 -5.854 -7.927 1.00 12.20 O ATOM 201 CG2 THR A 17 -2.175 -6.048 -9.846 1.00 61.30 C ATOM 0 H THR A 17 -4.580 -4.074 -7.611 1.00 41.40 H new ATOM 0 HA THR A 17 -2.591 -3.541 -9.517 1.00 61.10 H new ATOM 0 HB THR A 17 -4.298 -5.908 -9.862 1.00 2.34 H new ATOM 0 HG1 THR A 17 -3.467 -6.827 -7.843 1.00 12.20 H new ATOM 0 HG21 THR A 17 -2.153 -7.128 -9.698 1.00 61.30 H new ATOM 0 HG22 THR A 17 -2.108 -5.826 -10.911 1.00 61.30 H new ATOM 0 HG23 THR A 17 -1.331 -5.593 -9.327 1.00 61.30 H new ATOM 209 N GLU A 18 -5.661 -3.721 -10.690 1.00 74.10 N ATOM 210 CA GLU A 18 -6.492 -3.432 -11.850 1.00 11.30 C ATOM 211 C GLU A 18 -6.339 -1.976 -12.280 1.00 43.10 C ATOM 212 O GLU A 18 -6.368 -1.659 -13.470 1.00 43.40 O ATOM 213 CB GLU A 18 -7.962 -3.732 -11.550 1.00 73.40 C ATOM 214 CG GLU A 18 -8.171 -5.002 -10.740 1.00 63.20 C ATOM 215 CD GLU A 18 -9.606 -5.491 -10.780 1.00 11.40 C ATOM 216 OE1 GLU A 18 -10.180 -5.551 -11.890 1.00 4.24 O ATOM 217 OE2 GLU A 18 -10.150 -5.814 -9.710 1.00 3.54 O ATOM 0 H GLU A 18 -6.184 -3.980 -9.853 1.00 74.10 H new ATOM 0 HA GLU A 18 -6.160 -4.074 -12.666 1.00 11.30 H new ATOM 0 HB2 GLU A 18 -8.393 -2.890 -11.008 1.00 73.40 H new ATOM 0 HB3 GLU A 18 -8.506 -3.817 -12.491 1.00 73.40 H new ATOM 0 HG2 GLU A 18 -7.514 -5.784 -11.121 1.00 63.20 H new ATOM 0 HG3 GLU A 18 -7.882 -4.820 -9.705 1.00 63.20 H new ATOM 224 N GLU A 19 -6.176 -1.095 -11.300 1.00 64.20 N ATOM 225 CA GLU A 19 -6.017 0.329 -11.570 1.00 41.10 C ATOM 226 C GLU A 19 -4.613 0.630 -12.080 1.00 14.20 C ATOM 227 O GLU A 19 -4.440 1.387 -13.040 1.00 42.10 O ATOM 228 CB GLU A 19 -6.294 1.143 -10.300 1.00 42.40 C ATOM 229 CG GLU A 19 -7.773 1.284 -9.985 1.00 32.40 C ATOM 230 CD GLU A 19 -8.545 1.981 -11.080 1.00 5.12 C ATOM 231 OE1 GLU A 19 -8.848 1.325 -12.100 1.00 12.50 O ATOM 232 OE2 GLU A 19 -8.847 3.183 -10.930 1.00 12.50 O ATOM 0 H GLU A 19 -6.150 -1.342 -10.311 1.00 64.20 H new ATOM 0 HA GLU A 19 -6.734 0.611 -12.341 1.00 41.10 H new ATOM 0 HB2 GLU A 19 -5.794 0.667 -9.456 1.00 42.40 H new ATOM 0 HB3 GLU A 19 -5.857 2.136 -10.411 1.00 42.40 H new ATOM 0 HG2 GLU A 19 -8.200 0.295 -9.820 1.00 32.40 H new ATOM 0 HG3 GLU A 19 -7.889 1.840 -9.055 1.00 32.40 H new ATOM 239 N ASP A 20 -3.613 0.032 -11.440 1.00 33.40 N ATOM 240 CA ASP A 20 -2.224 0.236 -11.840 1.00 23.30 C ATOM 241 C ASP A 20 -1.984 -0.252 -13.260 1.00 34.30 C ATOM 242 O ASP A 20 -1.145 0.290 -13.980 1.00 15.10 O ATOM 243 CB ASP A 20 -1.287 -0.492 -10.870 1.00 30.30 C ATOM 244 CG ASP A 20 -0.062 0.331 -10.520 1.00 21.30 C ATOM 245 OD1 ASP A 20 -0.188 1.268 -9.712 1.00 71.00 O ATOM 246 OD2 ASP A 20 1.024 0.039 -11.070 1.00 21.20 O ATOM 0 H ASP A 20 -3.737 -0.595 -10.645 1.00 33.40 H new ATOM 0 HA ASP A 20 -2.016 1.305 -11.809 1.00 23.30 H new ATOM 0 HB2 ASP A 20 -1.831 -0.735 -9.957 1.00 30.30 H new ATOM 0 HB3 ASP A 20 -0.972 -1.436 -11.314 1.00 30.30 H new ATOM 251 N LYS A 21 -2.725 -1.279 -13.660 1.00 45.50 N ATOM 252 CA LYS A 21 -2.592 -1.841 -15.000 1.00 63.40 C ATOM 253 C LYS A 21 -3.463 -1.087 -16.010 1.00 32.30 C ATOM 254 O LYS A 21 -3.218 -1.134 -17.210 1.00 50.10 O ATOM 255 CB LYS A 21 -2.967 -3.324 -15.000 1.00 63.30 C ATOM 256 CG LYS A 21 -4.436 -3.582 -14.700 1.00 35.10 C ATOM 257 CD LYS A 21 -4.730 -5.069 -14.590 1.00 51.40 C ATOM 258 CE LYS A 21 -6.075 -5.417 -15.210 1.00 33.10 C ATOM 259 NZ LYS A 21 -5.933 -5.940 -16.600 1.00 61.30 N ATOM 0 H LYS A 21 -3.424 -1.739 -13.077 1.00 45.50 H new ATOM 0 HA LYS A 21 -1.549 -1.735 -15.299 1.00 63.40 H new ATOM 0 HB2 LYS A 21 -2.723 -3.752 -15.973 1.00 63.30 H new ATOM 0 HB3 LYS A 21 -2.357 -3.844 -14.261 1.00 63.30 H new ATOM 0 HG2 LYS A 21 -4.711 -3.086 -13.769 1.00 35.10 H new ATOM 0 HG3 LYS A 21 -5.051 -3.146 -15.487 1.00 35.10 H new ATOM 0 HD2 LYS A 21 -3.942 -5.635 -15.086 1.00 51.40 H new ATOM 0 HD3 LYS A 21 -4.723 -5.366 -13.541 1.00 51.40 H new ATOM 0 HE2 LYS A 21 -6.577 -6.162 -14.592 1.00 33.10 H new ATOM 0 HE3 LYS A 21 -6.710 -4.531 -15.219 1.00 33.10 H new ATOM 0 HZ1 LYS A 21 -6.873 -6.164 -16.984 1.00 61.30 H new ATOM 0 HZ2 LYS A 21 -5.478 -5.220 -17.197 1.00 61.30 H new ATOM 0 HZ3 LYS A 21 -5.349 -6.801 -16.589 1.00 61.30 H new ATOM 273 N ALA A 22 -4.482 -0.394 -15.500 1.00 20.40 N ATOM 274 CA ALA A 22 -5.385 0.365 -16.360 1.00 20.20 C ATOM 275 C ALA A 22 -4.975 1.833 -16.440 1.00 65.40 C ATOM 276 O ALA A 22 -5.814 2.712 -16.640 1.00 35.50 O ATOM 277 CB ALA A 22 -6.815 0.242 -15.860 1.00 54.20 C ATOM 0 H ALA A 22 -4.700 -0.344 -14.505 1.00 20.40 H new ATOM 0 HA ALA A 22 -5.323 -0.054 -17.364 1.00 20.20 H new ATOM 0 HB1 ALA A 22 -7.478 0.813 -16.510 1.00 54.20 H new ATOM 0 HB2 ALA A 22 -7.114 -0.806 -15.867 1.00 54.20 H new ATOM 0 HB3 ALA A 22 -6.880 0.631 -14.844 1.00 54.20 H new ATOM 283 N LYS A 23 -3.680 2.092 -16.280 1.00 35.30 N ATOM 284 CA LYS A 23 -3.160 3.454 -16.340 1.00 1.11 C ATOM 285 C LYS A 23 -3.824 4.337 -15.280 1.00 32.10 C ATOM 286 O LYS A 23 -4.129 5.502 -15.540 1.00 74.10 O ATOM 287 CB LYS A 23 -3.379 4.050 -17.730 1.00 34.30 C ATOM 288 CG LYS A 23 -2.999 3.107 -18.860 1.00 40.20 C ATOM 289 CD LYS A 23 -2.828 3.854 -20.170 1.00 31.30 C ATOM 290 CE LYS A 23 -3.353 3.043 -21.350 1.00 1.53 C ATOM 291 NZ LYS A 23 -3.319 3.818 -22.620 1.00 4.25 N ATOM 0 H LYS A 23 -2.973 1.377 -16.108 1.00 35.30 H new ATOM 0 HA LYS A 23 -2.090 3.416 -16.138 1.00 1.11 H new ATOM 0 HB2 LYS A 23 -4.428 4.328 -17.836 1.00 34.30 H new ATOM 0 HB3 LYS A 23 -2.795 4.966 -17.820 1.00 34.30 H new ATOM 0 HG2 LYS A 23 -2.072 2.591 -18.610 1.00 40.20 H new ATOM 0 HG3 LYS A 23 -3.768 2.343 -18.973 1.00 40.20 H new ATOM 0 HD2 LYS A 23 -3.356 4.806 -20.118 1.00 31.30 H new ATOM 0 HD3 LYS A 23 -1.773 4.082 -20.325 1.00 31.30 H new ATOM 0 HE2 LYS A 23 -2.756 2.138 -21.462 1.00 1.53 H new ATOM 0 HE3 LYS A 23 -4.376 2.727 -21.146 1.00 1.53 H new ATOM 0 HZ1 LYS A 23 -3.684 3.229 -23.396 1.00 4.25 H new ATOM 0 HZ2 LYS A 23 -3.909 4.669 -22.523 1.00 4.25 H new ATOM 0 HZ3 LYS A 23 -2.340 4.098 -22.830 1.00 4.25 H new ATOM 305 N ASN A 24 -4.044 3.774 -14.100 1.00 22.10 N ATOM 306 CA ASN A 24 -4.671 4.511 -13.010 1.00 62.40 C ATOM 307 C ASN A 24 -3.808 4.458 -11.750 1.00 24.10 C ATOM 308 O ASN A 24 -4.087 3.698 -10.820 1.00 74.20 O ATOM 309 CB ASN A 24 -6.061 3.944 -12.710 1.00 3.22 C ATOM 310 CG ASN A 24 -7.154 4.664 -13.480 1.00 34.20 C ATOM 311 OD1 ASN A 24 -6.972 5.041 -14.630 1.00 25.00 O ATOM 312 ND2 ASN A 24 -8.297 4.860 -12.830 1.00 23.30 N ATOM 0 H ASN A 24 -3.798 2.811 -13.872 1.00 22.10 H new ATOM 0 HA ASN A 24 -4.770 5.551 -13.321 1.00 62.40 H new ATOM 0 HB2 ASN A 24 -6.081 2.884 -12.961 1.00 3.22 H new ATOM 0 HB3 ASN A 24 -6.260 4.022 -11.641 1.00 3.22 H new ATOM 0 HD21 ASN A 24 -9.069 5.343 -13.290 1.00 23.30 H new ATOM 0 HD22 ASN A 24 -8.402 4.527 -11.871 1.00 23.30 H new ATOM 319 N TYR A 25 -2.757 5.272 -11.730 1.00 1.13 N ATOM 320 CA TYR A 25 -1.851 5.319 -10.580 1.00 50.10 C ATOM 321 C TYR A 25 -2.504 6.025 -9.406 1.00 33.20 C ATOM 322 O TYR A 25 -2.228 5.704 -8.250 1.00 25.40 O ATOM 323 CB TYR A 25 -0.553 6.032 -10.970 1.00 2.32 C ATOM 324 CG TYR A 25 0.144 5.425 -12.160 1.00 52.20 C ATOM 325 CD1 TYR A 25 0.264 4.048 -12.300 1.00 15.10 C ATOM 326 CD2 TYR A 25 0.681 6.230 -13.160 1.00 73.30 C ATOM 327 CE1 TYR A 25 0.900 3.489 -13.390 1.00 11.10 C ATOM 328 CE2 TYR A 25 1.318 5.679 -14.260 1.00 4.14 C ATOM 329 CZ TYR A 25 1.425 4.309 -14.360 1.00 55.40 C ATOM 330 OH TYR A 25 2.059 3.757 -15.450 1.00 64.10 O ATOM 0 H TYR A 25 -2.510 5.906 -12.490 1.00 1.13 H new ATOM 0 HA TYR A 25 -1.622 4.297 -10.277 1.00 50.10 H new ATOM 0 HB2 TYR A 25 -0.775 7.077 -11.186 1.00 2.32 H new ATOM 0 HB3 TYR A 25 0.127 6.020 -10.118 1.00 2.32 H new ATOM 0 HD1 TYR A 25 -0.149 3.401 -11.540 1.00 15.10 H new ATOM 0 HD2 TYR A 25 0.600 7.304 -13.077 1.00 73.30 H new ATOM 0 HE1 TYR A 25 0.984 2.416 -13.480 1.00 11.10 H new ATOM 0 HE2 TYR A 25 1.726 6.316 -15.031 1.00 4.14 H new ATOM 0 HH TYR A 25 2.372 4.472 -16.043 1.00 64.10 H new ATOM 340 N GLU A 26 -3.371 6.988 -9.702 1.00 51.50 N ATOM 341 CA GLU A 26 -4.063 7.739 -8.662 1.00 22.50 C ATOM 342 C GLU A 26 -4.940 6.820 -7.818 1.00 32.10 C ATOM 343 O GLU A 26 -4.754 6.709 -6.606 1.00 10.50 O ATOM 344 CB GLU A 26 -4.915 8.847 -9.285 1.00 21.40 C ATOM 345 CG GLU A 26 -4.956 10.121 -8.458 1.00 72.50 C ATOM 346 CD GLU A 26 -5.341 11.336 -9.279 1.00 44.50 C ATOM 347 OE1 GLU A 26 -4.458 11.893 -9.965 1.00 20.40 O ATOM 348 OE2 GLU A 26 -6.525 11.731 -9.236 1.00 41.50 O ATOM 0 H GLU A 26 -3.611 7.266 -10.654 1.00 51.50 H new ATOM 0 HA GLU A 26 -3.312 8.189 -8.013 1.00 22.50 H new ATOM 0 HB2 GLU A 26 -4.525 9.080 -10.276 1.00 21.40 H new ATOM 0 HB3 GLU A 26 -5.932 8.479 -9.421 1.00 21.40 H new ATOM 0 HG2 GLU A 26 -5.668 9.998 -7.642 1.00 72.50 H new ATOM 0 HG3 GLU A 26 -3.979 10.288 -8.005 1.00 72.50 H new ATOM 355 N GLU A 27 -5.897 6.164 -8.466 1.00 53.20 N ATOM 356 CA GLU A 27 -6.804 5.255 -7.775 1.00 22.20 C ATOM 357 C GLU A 27 -6.052 4.042 -7.235 1.00 4.53 C ATOM 358 O GLU A 27 -6.367 3.532 -6.161 1.00 13.20 O ATOM 359 CB GLU A 27 -7.919 4.800 -8.717 1.00 64.30 C ATOM 360 CG GLU A 27 -9.263 4.625 -8.029 1.00 74.00 C ATOM 361 CD GLU A 27 -10.100 5.889 -8.054 1.00 1.15 C ATOM 362 OE1 GLU A 27 -9.521 6.987 -7.920 1.00 20.30 O ATOM 363 OE2 GLU A 27 -11.330 5.780 -8.208 1.00 1.22 O ATOM 0 H GLU A 27 -6.064 6.245 -9.469 1.00 53.20 H new ATOM 0 HA GLU A 27 -7.244 5.791 -6.934 1.00 22.20 H new ATOM 0 HB2 GLU A 27 -8.024 5.529 -9.521 1.00 64.30 H new ATOM 0 HB3 GLU A 27 -7.631 3.855 -9.178 1.00 64.30 H new ATOM 0 HG2 GLU A 27 -9.814 3.819 -8.515 1.00 74.00 H new ATOM 0 HG3 GLU A 27 -9.101 4.322 -6.995 1.00 74.00 H new ATOM 370 N ALA A 28 -5.056 3.586 -7.989 1.00 13.10 N ATOM 371 CA ALA A 28 -4.259 2.434 -7.586 1.00 33.10 C ATOM 372 C ALA A 28 -3.569 2.683 -6.250 1.00 34.50 C ATOM 373 O ALA A 28 -3.499 1.795 -5.400 1.00 14.30 O ATOM 374 CB ALA A 28 -3.233 2.103 -8.659 1.00 31.50 C ATOM 0 H ALA A 28 -4.782 3.997 -8.882 1.00 13.10 H new ATOM 0 HA ALA A 28 -4.930 1.583 -7.464 1.00 33.10 H new ATOM 0 HB1 ALA A 28 -2.644 1.241 -8.346 1.00 31.50 H new ATOM 0 HB2 ALA A 28 -3.745 1.873 -9.593 1.00 31.50 H new ATOM 0 HB3 ALA A 28 -2.573 2.958 -8.808 1.00 31.50 H new ATOM 380 N LEU A 29 -3.059 3.898 -6.070 1.00 33.20 N ATOM 381 CA LEU A 29 -2.374 4.264 -4.836 1.00 21.10 C ATOM 382 C LEU A 29 -3.335 4.240 -3.652 1.00 51.20 C ATOM 383 O LEU A 29 -2.974 3.810 -2.556 1.00 54.10 O ATOM 384 CB LEU A 29 -1.743 5.652 -4.971 1.00 44.10 C ATOM 385 CG LEU A 29 -0.761 6.034 -3.860 1.00 74.50 C ATOM 386 CD1 LEU A 29 -1.506 6.340 -2.570 1.00 71.10 C ATOM 387 CD2 LEU A 29 0.255 4.923 -3.640 1.00 33.00 C ATOM 0 H LEU A 29 -3.107 4.645 -6.763 1.00 33.20 H new ATOM 0 HA LEU A 29 -1.587 3.532 -4.655 1.00 21.10 H new ATOM 0 HB2 LEU A 29 -1.223 5.705 -5.927 1.00 44.10 H new ATOM 0 HB3 LEU A 29 -2.540 6.395 -5.000 1.00 44.10 H new ATOM 0 HG LEU A 29 -0.226 6.932 -4.168 1.00 74.50 H new ATOM 0 HD11 LEU A 29 -0.791 6.609 -1.792 1.00 71.10 H new ATOM 0 HD12 LEU A 29 -2.193 7.170 -2.735 1.00 71.10 H new ATOM 0 HD13 LEU A 29 -2.068 5.460 -2.257 1.00 71.10 H new ATOM 0 HD21 LEU A 29 0.945 5.212 -2.847 1.00 33.00 H new ATOM 0 HD22 LEU A 29 -0.263 4.008 -3.354 1.00 33.00 H new ATOM 0 HD23 LEU A 29 0.812 4.752 -4.561 1.00 33.00 H new ATOM 399 N ARG A 30 -4.559 4.703 -3.880 1.00 62.10 N ATOM 400 CA ARG A 30 -5.572 4.734 -2.831 1.00 71.10 C ATOM 401 C ARG A 30 -5.852 3.330 -2.305 1.00 42.50 C ATOM 402 O ARG A 30 -5.763 3.077 -1.103 1.00 74.40 O ATOM 403 CB ARG A 30 -6.864 5.360 -3.358 1.00 74.10 C ATOM 404 CG ARG A 30 -6.677 6.760 -3.919 1.00 34.10 C ATOM 405 CD ARG A 30 -8.010 7.461 -4.125 1.00 13.20 C ATOM 406 NE ARG A 30 -8.480 8.114 -2.906 1.00 44.20 N ATOM 407 CZ ARG A 30 -7.981 9.255 -2.436 1.00 71.30 C ATOM 408 NH1 ARG A 30 -6.998 9.872 -3.079 1.00 62.30 N ATOM 409 NH2 ARG A 30 -8.466 9.780 -1.319 1.00 72.40 N ATOM 0 H ARG A 30 -4.874 5.062 -4.781 1.00 62.10 H new ATOM 0 HA ARG A 30 -5.191 5.342 -2.010 1.00 71.10 H new ATOM 0 HB2 ARG A 30 -7.278 4.718 -4.136 1.00 74.10 H new ATOM 0 HB3 ARG A 30 -7.596 5.396 -2.551 1.00 74.10 H new ATOM 0 HG2 ARG A 30 -6.058 7.346 -3.239 1.00 34.10 H new ATOM 0 HG3 ARG A 30 -6.144 6.704 -4.868 1.00 34.10 H new ATOM 0 HD2 ARG A 30 -7.911 8.202 -4.918 1.00 13.20 H new ATOM 0 HD3 ARG A 30 -8.753 6.736 -4.457 1.00 13.20 H new ATOM 0 HE ARG A 30 -9.235 7.669 -2.384 1.00 44.20 H new ATOM 0 HH11 ARG A 30 -6.621 9.472 -3.938 1.00 62.30 H new ATOM 0 HH12 ARG A 30 -6.620 10.746 -2.714 1.00 62.30 H new ATOM 0 HH21 ARG A 30 -9.221 9.309 -0.820 1.00 72.40 H new ATOM 0 HH22 ARG A 30 -8.084 10.654 -0.959 1.00 72.40 H new ATOM 423 N LEU A 31 -6.190 2.420 -3.213 1.00 74.00 N ATOM 424 CA LEU A 31 -6.483 1.041 -2.841 1.00 64.40 C ATOM 425 C LEU A 31 -5.225 0.332 -2.349 1.00 22.40 C ATOM 426 O LEU A 31 -5.292 -0.544 -1.486 1.00 31.50 O ATOM 427 CB LEU A 31 -7.077 0.285 -4.031 1.00 44.20 C ATOM 428 CG LEU A 31 -8.559 0.555 -4.295 1.00 0.13 C ATOM 429 CD1 LEU A 31 -8.874 0.398 -5.775 1.00 63.30 C ATOM 430 CD2 LEU A 31 -9.426 -0.376 -3.462 1.00 32.20 C ATOM 0 H LEU A 31 -6.268 2.613 -4.212 1.00 74.00 H new ATOM 0 HA LEU A 31 -7.211 1.056 -2.030 1.00 64.40 H new ATOM 0 HB2 LEU A 31 -6.511 0.544 -4.926 1.00 44.20 H new ATOM 0 HB3 LEU A 31 -6.942 -0.784 -3.867 1.00 44.20 H new ATOM 0 HG LEU A 31 -8.780 1.582 -4.004 1.00 0.13 H new ATOM 0 HD11 LEU A 31 -9.933 0.594 -5.944 1.00 63.30 H new ATOM 0 HD12 LEU A 31 -8.277 1.105 -6.351 1.00 63.30 H new ATOM 0 HD13 LEU A 31 -8.638 -0.618 -6.092 1.00 63.30 H new ATOM 0 HD21 LEU A 31 -10.478 -0.170 -3.662 1.00 32.20 H new ATOM 0 HD22 LEU A 31 -9.203 -1.411 -3.722 1.00 32.20 H new ATOM 0 HD23 LEU A 31 -9.220 -0.215 -2.404 1.00 32.20 H new ATOM 442 N TYR A 32 -4.080 0.717 -2.904 1.00 1.23 N ATOM 443 CA TYR A 32 -2.807 0.118 -2.521 1.00 53.10 C ATOM 444 C TYR A 32 -2.482 0.419 -1.061 1.00 2.13 C ATOM 445 O TYR A 32 -2.051 -0.461 -0.316 1.00 54.50 O ATOM 446 CB TYR A 32 -1.685 0.635 -3.423 1.00 12.30 C ATOM 447 CG TYR A 32 -1.422 -0.242 -4.627 1.00 54.10 C ATOM 448 CD1 TYR A 32 -1.357 -1.624 -4.504 1.00 10.40 C ATOM 449 CD2 TYR A 32 -1.239 0.314 -5.888 1.00 41.10 C ATOM 450 CE1 TYR A 32 -1.118 -2.428 -5.602 1.00 21.10 C ATOM 451 CE2 TYR A 32 -1.000 -0.484 -6.991 1.00 11.40 C ATOM 452 CZ TYR A 32 -0.940 -1.853 -6.843 1.00 62.50 C ATOM 453 OH TYR A 32 -0.701 -2.650 -7.938 1.00 5.32 O ATOM 0 H TYR A 32 -4.008 1.440 -3.620 1.00 1.23 H new ATOM 0 HA TYR A 32 -2.891 -0.962 -2.640 1.00 53.10 H new ATOM 0 HB2 TYR A 32 -1.938 1.639 -3.764 1.00 12.30 H new ATOM 0 HB3 TYR A 32 -0.769 0.718 -2.838 1.00 12.30 H new ATOM 0 HD1 TYR A 32 -1.496 -2.078 -3.534 1.00 10.40 H new ATOM 0 HD2 TYR A 32 -1.284 1.386 -6.008 1.00 41.10 H new ATOM 0 HE1 TYR A 32 -1.071 -3.501 -5.489 1.00 21.10 H new ATOM 0 HE2 TYR A 32 -0.861 -0.037 -7.964 1.00 11.40 H new ATOM 0 HH TYR A 32 -0.600 -2.089 -8.735 1.00 5.32 H new ATOM 463 N GLN A 33 -2.691 1.668 -0.660 1.00 53.30 N ATOM 464 CA GLN A 33 -2.420 2.086 0.711 1.00 23.40 C ATOM 465 C GLN A 33 -3.264 1.288 1.700 1.00 64.30 C ATOM 466 O GLN A 33 -2.749 0.757 2.684 1.00 75.10 O ATOM 467 CB GLN A 33 -2.700 3.581 0.875 1.00 64.40 C ATOM 468 CG GLN A 33 -1.495 4.461 0.584 1.00 3.32 C ATOM 469 CD GLN A 33 -1.815 5.939 0.686 1.00 13.50 C ATOM 470 OE1 GLN A 33 -1.145 6.683 1.403 1.00 51.20 O ATOM 471 NE2 GLN A 33 -2.844 6.373 -0.032 1.00 25.20 N ATOM 0 H GLN A 33 -3.047 2.409 -1.264 1.00 53.30 H new ATOM 0 HA GLN A 33 -1.368 1.895 0.921 1.00 23.40 H new ATOM 0 HB2 GLN A 33 -3.516 3.865 0.210 1.00 64.40 H new ATOM 0 HB3 GLN A 33 -3.039 3.769 1.894 1.00 64.40 H new ATOM 0 HG2 GLN A 33 -0.694 4.217 1.282 1.00 3.32 H new ATOM 0 HG3 GLN A 33 -1.123 4.242 -0.417 1.00 3.32 H new ATOM 0 HE21 GLN A 33 -3.372 5.721 -0.613 1.00 25.20 H new ATOM 0 HE22 GLN A 33 -3.107 7.358 -0.003 1.00 25.20 H new ATOM 480 N HIS A 34 -4.563 1.207 1.431 1.00 3.20 N ATOM 481 CA HIS A 34 -5.478 0.473 2.297 1.00 20.40 C ATOM 482 C HIS A 34 -5.079 -0.996 2.389 1.00 23.40 C ATOM 483 O HIS A 34 -5.116 -1.593 3.465 1.00 30.30 O ATOM 484 CB HIS A 34 -6.912 0.593 1.776 1.00 12.10 C ATOM 485 CG HIS A 34 -7.557 1.905 2.098 1.00 71.10 C ATOM 486 ND1 HIS A 34 -7.963 2.253 3.369 1.00 1.31 N ATOM 487 CD2 HIS A 34 -7.867 2.958 1.305 1.00 54.30 C ATOM 488 CE1 HIS A 34 -8.495 3.462 3.344 1.00 73.40 C ATOM 489 NE2 HIS A 34 -8.448 3.912 2.104 1.00 21.20 N ATOM 0 H HIS A 34 -5.005 1.640 0.621 1.00 3.20 H new ATOM 0 HA HIS A 34 -5.423 0.908 3.295 1.00 20.40 H new ATOM 0 HB2 HIS A 34 -6.910 0.454 0.695 1.00 12.10 H new ATOM 0 HB3 HIS A 34 -7.513 -0.212 2.200 1.00 12.10 H new ATOM 0 HD2 HIS A 34 -7.690 3.034 0.242 1.00 54.30 H new ATOM 0 HE1 HIS A 34 -8.900 3.992 4.194 1.00 73.40 H new ATOM 0 HE2 HIS A 34 -8.788 4.821 1.790 1.00 21.20 H new ATOM 498 N ALA A 35 -4.699 -1.574 1.254 1.00 23.40 N ATOM 499 CA ALA A 35 -4.293 -2.973 1.207 1.00 14.20 C ATOM 500 C ALA A 35 -3.091 -3.226 2.110 1.00 61.30 C ATOM 501 O ALA A 35 -3.106 -4.134 2.942 1.00 63.00 O ATOM 502 CB ALA A 35 -3.977 -3.383 -0.223 1.00 33.00 C ATOM 0 H ALA A 35 -4.664 -1.094 0.354 1.00 23.40 H new ATOM 0 HA ALA A 35 -5.122 -3.579 1.572 1.00 14.20 H new ATOM 0 HB1 ALA A 35 -3.675 -4.430 -0.243 1.00 33.00 H new ATOM 0 HB2 ALA A 35 -4.863 -3.249 -0.844 1.00 33.00 H new ATOM 0 HB3 ALA A 35 -3.166 -2.764 -0.608 1.00 33.00 H new ATOM 508 N VAL A 36 -2.049 -2.419 1.940 1.00 54.50 N ATOM 509 CA VAL A 36 -0.838 -2.555 2.739 1.00 41.30 C ATOM 510 C VAL A 36 -1.123 -2.300 4.215 1.00 13.30 C ATOM 511 O VAL A 36 -0.609 -3.001 5.087 1.00 53.20 O ATOM 512 CB VAL A 36 0.262 -1.586 2.265 1.00 30.40 C ATOM 513 CG1 VAL A 36 1.565 -1.849 3.005 1.00 44.20 C ATOM 514 CG2 VAL A 36 0.464 -1.699 0.761 1.00 55.40 C ATOM 0 H VAL A 36 -2.020 -1.664 1.255 1.00 54.50 H new ATOM 0 HA VAL A 36 -0.488 -3.579 2.610 1.00 41.30 H new ATOM 0 HB VAL A 36 -0.058 -0.569 2.491 1.00 30.40 H new ATOM 0 HG11 VAL A 36 2.329 -1.154 2.655 1.00 44.20 H new ATOM 0 HG12 VAL A 36 1.410 -1.710 4.075 1.00 44.20 H new ATOM 0 HG13 VAL A 36 1.891 -2.872 2.816 1.00 44.20 H new ATOM 0 HG21 VAL A 36 1.245 -1.007 0.446 1.00 55.40 H new ATOM 0 HG22 VAL A 36 0.759 -2.718 0.509 1.00 55.40 H new ATOM 0 HG23 VAL A 36 -0.467 -1.454 0.249 1.00 55.40 H new ATOM 524 N GLU A 37 -1.945 -1.293 4.488 1.00 73.40 N ATOM 525 CA GLU A 37 -2.299 -0.945 5.859 1.00 34.50 C ATOM 526 C GLU A 37 -3.002 -2.108 6.552 1.00 72.20 C ATOM 527 O GLU A 37 -2.646 -2.485 7.669 1.00 75.10 O ATOM 528 CB GLU A 37 -3.199 0.293 5.878 1.00 23.40 C ATOM 529 CG GLU A 37 -2.430 1.602 5.938 1.00 22.30 C ATOM 530 CD GLU A 37 -3.326 2.791 6.227 1.00 34.20 C ATOM 531 OE1 GLU A 37 -4.414 2.588 6.806 1.00 52.10 O ATOM 532 OE2 GLU A 37 -2.939 3.925 5.875 1.00 32.40 O ATOM 0 H GLU A 37 -2.379 -0.703 3.778 1.00 73.40 H new ATOM 0 HA GLU A 37 -1.378 -0.725 6.400 1.00 34.50 H new ATOM 0 HB2 GLU A 37 -3.826 0.290 4.986 1.00 23.40 H new ATOM 0 HB3 GLU A 37 -3.867 0.234 6.737 1.00 23.40 H new ATOM 0 HG2 GLU A 37 -1.663 1.534 6.709 1.00 22.30 H new ATOM 0 HG3 GLU A 37 -1.916 1.761 4.990 1.00 22.30 H new ATOM 539 N TYR A 38 -4.000 -2.674 5.882 1.00 3.22 N ATOM 540 CA TYR A 38 -4.753 -3.795 6.433 1.00 2.22 C ATOM 541 C TYR A 38 -3.837 -4.983 6.707 1.00 22.30 C ATOM 542 O TYR A 38 -4.070 -5.759 7.633 1.00 24.10 O ATOM 543 CB TYR A 38 -5.870 -4.208 5.472 1.00 41.20 C ATOM 544 CG TYR A 38 -7.181 -3.499 5.727 1.00 52.40 C ATOM 545 CD1 TYR A 38 -7.276 -2.117 5.625 1.00 62.20 C ATOM 546 CD2 TYR A 38 -8.323 -4.212 6.069 1.00 45.30 C ATOM 547 CE1 TYR A 38 -8.473 -1.465 5.857 1.00 51.10 C ATOM 548 CE2 TYR A 38 -9.523 -3.568 6.302 1.00 30.40 C ATOM 549 CZ TYR A 38 -9.593 -2.195 6.195 1.00 61.30 C ATOM 550 OH TYR A 38 -10.780 -1.550 6.426 1.00 14.10 O ATOM 0 H TYR A 38 -4.306 -2.375 4.956 1.00 3.22 H new ATOM 0 HA TYR A 38 -5.195 -3.475 7.377 1.00 2.22 H new ATOM 0 HB2 TYR A 38 -5.551 -4.007 4.449 1.00 41.20 H new ATOM 0 HB3 TYR A 38 -6.027 -5.284 5.551 1.00 41.20 H new ATOM 0 HD1 TYR A 38 -6.401 -1.542 5.360 1.00 62.20 H new ATOM 0 HD2 TYR A 38 -8.272 -5.287 6.154 1.00 45.30 H new ATOM 0 HE1 TYR A 38 -8.530 -0.390 5.774 1.00 51.10 H new ATOM 0 HE2 TYR A 38 -10.402 -4.137 6.567 1.00 30.40 H new ATOM 0 HH TYR A 38 -11.471 -2.207 6.652 1.00 14.10 H new ATOM 560 N PHE A 39 -2.793 -5.119 5.895 1.00 61.40 N ATOM 561 CA PHE A 39 -1.842 -6.213 6.050 1.00 53.40 C ATOM 562 C PHE A 39 -1.024 -6.047 7.327 1.00 25.40 C ATOM 563 O PHE A 39 -0.924 -6.968 8.136 1.00 14.50 O ATOM 564 CB PHE A 39 -0.910 -6.282 4.839 1.00 20.40 C ATOM 565 CG PHE A 39 -1.417 -7.172 3.741 1.00 33.10 C ATOM 566 CD1 PHE A 39 -1.902 -8.439 4.026 1.00 42.40 C ATOM 567 CD2 PHE A 39 -1.409 -6.743 2.423 1.00 51.50 C ATOM 568 CE1 PHE A 39 -2.369 -9.260 3.018 1.00 51.20 C ATOM 569 CE2 PHE A 39 -1.875 -7.560 1.411 1.00 15.30 C ATOM 570 CZ PHE A 39 -2.356 -8.820 1.708 1.00 50.20 C ATOM 0 H PHE A 39 -2.585 -4.485 5.123 1.00 61.40 H new ATOM 0 HA PHE A 39 -2.406 -7.143 6.120 1.00 53.40 H new ATOM 0 HB2 PHE A 39 -0.767 -5.276 4.443 1.00 20.40 H new ATOM 0 HB3 PHE A 39 0.067 -6.639 5.163 1.00 20.40 H new ATOM 0 HD1 PHE A 39 -1.915 -8.788 5.048 1.00 42.40 H new ATOM 0 HD2 PHE A 39 -1.034 -5.759 2.184 1.00 51.50 H new ATOM 0 HE1 PHE A 39 -2.744 -10.245 3.253 1.00 51.20 H new ATOM 0 HE2 PHE A 39 -1.863 -7.213 0.388 1.00 15.30 H new ATOM 0 HZ PHE A 39 -2.721 -9.460 0.918 1.00 50.20 H new ATOM 580 N LEU A 40 -0.442 -4.865 7.500 1.00 33.30 N ATOM 581 CA LEU A 40 0.368 -4.577 8.679 1.00 35.40 C ATOM 582 C LEU A 40 -0.459 -4.713 9.953 1.00 12.10 C ATOM 583 O LEU A 40 0.059 -5.090 11.004 1.00 12.00 O ATOM 584 CB LEU A 40 0.957 -3.168 8.587 1.00 72.40 C ATOM 585 CG LEU A 40 1.738 -2.875 7.305 1.00 54.30 C ATOM 586 CD1 LEU A 40 1.949 -1.378 7.139 1.00 14.20 C ATOM 587 CD2 LEU A 40 3.073 -3.605 7.317 1.00 24.40 C ATOM 0 H LEU A 40 -0.516 -4.091 6.840 1.00 33.30 H new ATOM 0 HA LEU A 40 1.182 -5.301 8.716 1.00 35.40 H new ATOM 0 HB2 LEU A 40 0.146 -2.445 8.673 1.00 72.40 H new ATOM 0 HB3 LEU A 40 1.617 -3.010 9.440 1.00 72.40 H new ATOM 0 HG LEU A 40 1.156 -3.235 6.457 1.00 54.30 H new ATOM 0 HD11 LEU A 40 2.506 -1.189 6.222 1.00 14.20 H new ATOM 0 HD12 LEU A 40 0.982 -0.878 7.086 1.00 14.20 H new ATOM 0 HD13 LEU A 40 2.510 -0.993 7.990 1.00 14.20 H new ATOM 0 HD21 LEU A 40 3.616 -3.386 6.398 1.00 24.40 H new ATOM 0 HD22 LEU A 40 3.661 -3.274 8.173 1.00 24.40 H new ATOM 0 HD23 LEU A 40 2.900 -4.679 7.389 1.00 24.40 H new ATOM 599 N HIS A 41 -1.748 -4.403 9.852 1.00 61.40 N ATOM 600 CA HIS A 41 -2.647 -4.490 10.997 1.00 2.03 C ATOM 601 C HIS A 41 -2.936 -5.945 11.351 1.00 12.30 C ATOM 602 O HIS A 41 -3.150 -6.280 12.517 1.00 41.30 O ATOM 603 CB HIS A 41 -3.955 -3.755 10.701 1.00 70.10 C ATOM 604 CG HIS A 41 -3.935 -2.313 11.101 1.00 13.50 C ATOM 605 ND1 HIS A 41 -3.525 -1.303 10.257 1.00 13.50 N ATOM 606 CD2 HIS A 41 -4.278 -1.711 12.265 1.00 61.50 C ATOM 607 CE1 HIS A 41 -3.615 -0.143 10.884 1.00 75.20 C ATOM 608 NE2 HIS A 41 -4.070 -0.363 12.103 1.00 54.10 N ATOM 0 H HIS A 41 -2.193 -4.090 8.989 1.00 61.40 H new ATOM 0 HA HIS A 41 -2.158 -4.018 11.849 1.00 2.03 H new ATOM 0 HB2 HIS A 41 -4.168 -3.825 9.634 1.00 70.10 H new ATOM 0 HB3 HIS A 41 -4.770 -4.257 11.222 1.00 70.10 H new ATOM 0 HD1 HIS A 41 -3.202 -1.431 9.298 1.00 13.50 H new ATOM 0 HD2 HIS A 41 -4.646 -2.200 13.155 1.00 61.50 H new ATOM 0 HE1 HIS A 41 -3.360 0.821 10.469 1.00 75.20 H new ATOM 617 N ALA A 42 -2.942 -6.806 10.339 1.00 41.10 N ATOM 618 CA ALA A 42 -3.205 -8.225 10.544 1.00 23.20 C ATOM 619 C ALA A 42 -2.041 -8.902 11.258 1.00 73.00 C ATOM 620 O ALA A 42 -2.230 -9.866 12.000 1.00 24.20 O ATOM 621 CB ALA A 42 -3.479 -8.908 9.213 1.00 2.02 C ATOM 0 H ALA A 42 -2.768 -6.545 9.368 1.00 41.10 H new ATOM 0 HA ALA A 42 -4.088 -8.318 11.176 1.00 23.20 H new ATOM 0 HB1 ALA A 42 -3.674 -9.967 9.381 1.00 2.02 H new ATOM 0 HB2 ALA A 42 -4.348 -8.450 8.741 1.00 2.02 H new ATOM 0 HB3 ALA A 42 -2.612 -8.797 8.562 1.00 2.02 H new ATOM 627 N ILE A 43 -0.835 -8.392 11.030 1.00 74.40 N ATOM 628 CA ILE A 43 0.361 -8.948 11.652 1.00 62.20 C ATOM 629 C ILE A 43 0.461 -8.535 13.116 1.00 25.40 C ATOM 630 O ILE A 43 0.688 -9.369 13.993 1.00 14.30 O ATOM 631 CB ILE A 43 1.638 -8.501 10.915 1.00 61.40 C ATOM 632 CG1 ILE A 43 1.493 -8.731 9.410 1.00 14.20 C ATOM 633 CG2 ILE A 43 2.850 -9.244 11.456 1.00 31.40 C ATOM 634 CD1 ILE A 43 2.503 -7.967 8.582 1.00 54.30 C ATOM 0 H ILE A 43 -0.660 -7.594 10.419 1.00 74.40 H new ATOM 0 HA ILE A 43 0.275 -10.033 11.588 1.00 62.20 H new ATOM 0 HB ILE A 43 1.784 -7.435 11.087 1.00 61.40 H new ATOM 0 HG12 ILE A 43 1.596 -9.796 9.202 1.00 14.20 H new ATOM 0 HG13 ILE A 43 0.489 -8.441 9.101 1.00 14.20 H new ATOM 0 HG21 ILE A 43 3.744 -8.917 10.925 1.00 31.40 H new ATOM 0 HG22 ILE A 43 2.962 -9.032 12.519 1.00 31.40 H new ATOM 0 HG23 ILE A 43 2.714 -10.316 11.312 1.00 31.40 H new ATOM 0 HD11 ILE A 43 2.341 -8.178 7.525 1.00 54.30 H new ATOM 0 HD12 ILE A 43 2.386 -6.898 8.761 1.00 54.30 H new ATOM 0 HD13 ILE A 43 3.510 -8.274 8.863 1.00 54.30 H new ATOM 646 N LYS A 44 0.290 -7.243 13.374 1.00 60.40 N ATOM 647 CA LYS A 44 0.361 -6.719 14.733 1.00 2.03 C ATOM 648 C LYS A 44 -0.699 -7.361 15.621 1.00 33.00 C ATOM 649 O LYS A 44 -0.409 -7.795 16.736 1.00 25.40 O ATOM 650 CB LYS A 44 0.185 -5.199 14.726 1.00 2.54 C ATOM 651 CG LYS A 44 -1.153 -4.745 14.166 1.00 43.30 C ATOM 652 CD LYS A 44 -1.207 -3.234 14.010 1.00 42.00 C ATOM 653 CE LYS A 44 -1.054 -2.530 15.349 1.00 20.20 C ATOM 654 NZ LYS A 44 0.354 -2.117 15.602 1.00 70.20 N ATOM 0 H LYS A 44 0.101 -6.539 12.660 1.00 60.40 H new ATOM 0 HA LYS A 44 1.343 -6.962 15.138 1.00 2.03 H new ATOM 0 HB2 LYS A 44 0.289 -4.825 15.744 1.00 2.54 H new ATOM 0 HB3 LYS A 44 0.986 -4.751 14.138 1.00 2.54 H new ATOM 0 HG2 LYS A 44 -1.323 -5.218 13.199 1.00 43.30 H new ATOM 0 HG3 LYS A 44 -1.955 -5.073 14.827 1.00 43.30 H new ATOM 0 HD2 LYS A 44 -0.416 -2.908 13.334 1.00 42.00 H new ATOM 0 HD3 LYS A 44 -2.155 -2.948 13.553 1.00 42.00 H new ATOM 0 HE2 LYS A 44 -1.700 -1.652 15.373 1.00 20.20 H new ATOM 0 HE3 LYS A 44 -1.387 -3.193 16.148 1.00 20.20 H new ATOM 0 HZ1 LYS A 44 0.601 -2.315 16.593 1.00 70.20 H new ATOM 0 HZ2 LYS A 44 0.990 -2.648 14.973 1.00 70.20 H new ATOM 0 HZ3 LYS A 44 0.456 -1.099 15.417 1.00 70.20 H new ATOM 668 N TYR A 45 -1.928 -7.419 15.120 1.00 0.11 N ATOM 669 CA TYR A 45 -3.032 -8.008 15.868 1.00 24.10 C ATOM 670 C TYR A 45 -2.848 -9.515 16.013 1.00 13.40 C ATOM 671 O TYR A 45 -2.509 -10.000 17.089 1.00 11.20 O ATOM 672 CB TYR A 45 -4.363 -7.710 15.175 1.00 2.04 C ATOM 673 CG TYR A 45 -4.760 -6.252 15.227 1.00 63.00 C ATOM 674 CD1 TYR A 45 -4.611 -5.513 16.394 1.00 41.20 C ATOM 675 CD2 TYR A 45 -5.285 -5.615 14.110 1.00 60.50 C ATOM 676 CE1 TYR A 45 -4.973 -4.180 16.445 1.00 1.23 C ATOM 677 CE2 TYR A 45 -5.649 -4.283 14.153 1.00 53.10 C ATOM 678 CZ TYR A 45 -5.491 -3.570 15.323 1.00 72.30 C ATOM 679 OH TYR A 45 -5.853 -2.243 15.370 1.00 54.30 O ATOM 0 H TYR A 45 -2.185 -7.065 14.198 1.00 0.11 H new ATOM 0 HA TYR A 45 -3.041 -7.563 16.863 1.00 24.10 H new ATOM 0 HB2 TYR A 45 -4.299 -8.023 14.133 1.00 2.04 H new ATOM 0 HB3 TYR A 45 -5.147 -8.308 15.640 1.00 2.04 H new ATOM 0 HD1 TYR A 45 -4.206 -5.988 17.275 1.00 41.20 H new ATOM 0 HD2 TYR A 45 -5.411 -6.170 13.192 1.00 60.50 H new ATOM 0 HE1 TYR A 45 -4.850 -3.619 17.360 1.00 1.23 H new ATOM 0 HE2 TYR A 45 -6.055 -3.803 13.275 1.00 53.10 H new ATOM 0 HH TYR A 45 -6.199 -1.967 14.496 1.00 54.30 H new ATOM 689 N GLU A 46 -3.074 -10.240 14.923 1.00 54.20 N ATOM 690 CA GLU A 46 -2.932 -11.690 14.929 1.00 11.20 C ATOM 691 C GLU A 46 -2.095 -12.160 13.745 1.00 24.50 C ATOM 692 O GLU A 46 -2.587 -12.250 12.620 1.00 70.10 O ATOM 693 CB GLU A 46 -4.308 -12.360 14.893 1.00 4.51 C ATOM 694 CG GLU A 46 -5.155 -12.070 16.123 1.00 13.00 C ATOM 695 CD GLU A 46 -6.638 -12.020 15.810 1.00 62.40 C ATOM 696 OE1 GLU A 46 -7.103 -10.970 15.318 1.00 31.30 O ATOM 697 OE2 GLU A 46 -7.334 -13.030 16.057 1.00 53.20 O ATOM 0 H GLU A 46 -3.356 -9.847 14.025 1.00 54.20 H new ATOM 0 HA GLU A 46 -2.421 -11.975 15.849 1.00 11.20 H new ATOM 0 HB2 GLU A 46 -4.844 -12.025 14.005 1.00 4.51 H new ATOM 0 HB3 GLU A 46 -4.176 -13.438 14.798 1.00 4.51 H new ATOM 0 HG2 GLU A 46 -4.972 -12.837 16.875 1.00 13.00 H new ATOM 0 HG3 GLU A 46 -4.846 -11.119 16.556 1.00 13.00 H new ATOM 704 N ALA A 47 -0.827 -12.460 14.005 1.00 23.00 N ATOM 705 CA ALA A 47 0.079 -12.920 12.961 1.00 14.50 C ATOM 706 C ALA A 47 0.149 -14.440 12.928 1.00 4.13 C ATOM 707 O ALA A 47 0.083 -15.100 13.968 1.00 23.30 O ATOM 708 CB ALA A 47 1.467 -12.330 13.167 1.00 41.40 C ATOM 0 H ALA A 47 -0.404 -12.393 14.931 1.00 23.00 H new ATOM 0 HA ALA A 47 -0.309 -12.579 12.001 1.00 14.50 H new ATOM 0 HB1 ALA A 47 2.133 -12.683 12.379 1.00 41.40 H new ATOM 0 HB2 ALA A 47 1.409 -11.242 13.133 1.00 41.40 H new ATOM 0 HB3 ALA A 47 1.855 -12.642 14.137 1.00 41.40 H new ATOM 714 N HIS A 48 0.283 -15.000 11.729 1.00 64.10 N ATOM 715 CA HIS A 48 0.361 -16.450 11.561 1.00 44.50 C ATOM 716 C HIS A 48 1.582 -17.010 12.281 1.00 53.40 C ATOM 717 O HIS A 48 1.452 -17.730 13.269 1.00 31.40 O ATOM 718 CB HIS A 48 0.418 -16.810 10.076 1.00 24.20 C ATOM 719 CG HIS A 48 -0.332 -18.060 9.734 1.00 54.10 C ATOM 720 ND1 HIS A 48 -0.463 -19.120 10.604 1.00 12.00 N ATOM 721 CD2 HIS A 48 -0.997 -18.410 8.608 1.00 54.10 C ATOM 722 CE1 HIS A 48 -1.173 -20.070 10.028 1.00 71.00 C ATOM 723 NE2 HIS A 48 -1.510 -19.670 8.818 1.00 65.50 N ATOM 0 H HIS A 48 0.340 -14.472 10.858 1.00 64.10 H new ATOM 0 HA HIS A 48 -0.534 -16.893 11.998 1.00 44.50 H new ATOM 0 HB2 HIS A 48 0.013 -15.982 9.494 1.00 24.20 H new ATOM 0 HB3 HIS A 48 1.460 -16.928 9.779 1.00 24.20 H new ATOM 0 HD2 HIS A 48 -1.105 -17.814 7.714 1.00 54.10 H new ATOM 0 HE1 HIS A 48 -1.435 -21.018 10.474 1.00 71.00 H new ATOM 0 HE2 HIS A 48 -2.061 -20.206 8.147 1.00 65.50 H new ATOM 732 N SER A 49 2.766 -16.680 11.778 1.00 32.30 N ATOM 733 CA SER A 49 4.010 -17.150 12.373 1.00 51.10 C ATOM 734 C SER A 49 5.199 -16.340 11.864 1.00 45.10 C ATOM 735 O SER A 49 5.034 -15.390 11.110 1.00 53.30 O ATOM 736 CB SER A 49 4.215 -18.640 12.062 1.00 61.40 C ATOM 737 OG SER A 49 3.667 -19.450 13.083 1.00 73.00 O ATOM 0 H SER A 49 2.890 -16.087 10.957 1.00 32.30 H new ATOM 0 HA SER A 49 3.943 -17.017 13.453 1.00 51.10 H new ATOM 0 HB2 SER A 49 3.747 -18.884 11.108 1.00 61.40 H new ATOM 0 HB3 SER A 49 5.279 -18.850 11.958 1.00 61.40 H new ATOM 0 HG SER A 49 2.822 -19.061 13.391 1.00 73.00 H new ATOM 743 N ASP A 50 6.398 -16.740 12.281 1.00 12.10 N ATOM 744 CA ASP A 50 7.616 -16.050 11.867 1.00 51.50 C ATOM 745 C ASP A 50 7.802 -16.140 10.355 1.00 31.20 C ATOM 746 O ASP A 50 8.011 -15.130 9.687 1.00 74.30 O ATOM 747 CB ASP A 50 8.831 -16.650 12.577 1.00 61.30 C ATOM 748 CG ASP A 50 9.934 -15.630 12.792 1.00 34.50 C ATOM 749 OD1 ASP A 50 10.543 -15.200 11.792 1.00 20.40 O ATOM 750 OD2 ASP A 50 10.190 -15.270 13.960 1.00 51.10 O ATOM 0 H ASP A 50 6.551 -17.534 12.902 1.00 12.10 H new ATOM 0 HA ASP A 50 7.523 -15.000 12.143 1.00 51.50 H new ATOM 0 HB2 ASP A 50 8.522 -17.056 13.540 1.00 61.30 H new ATOM 0 HB3 ASP A 50 9.218 -17.482 11.989 1.00 61.30 H new ATOM 755 N LYS A 51 7.725 -17.350 9.823 1.00 43.10 N ATOM 756 CA LYS A 51 7.885 -17.570 8.390 1.00 61.30 C ATOM 757 C LYS A 51 6.824 -16.810 7.602 1.00 1.41 C ATOM 758 O LYS A 51 7.137 -16.090 6.652 1.00 42.20 O ATOM 759 CB LYS A 51 7.803 -19.070 8.068 1.00 64.00 C ATOM 760 CG LYS A 51 8.441 -19.440 6.740 1.00 12.00 C ATOM 761 CD LYS A 51 8.662 -20.940 6.629 1.00 73.00 C ATOM 762 CE LYS A 51 9.959 -21.360 7.299 1.00 44.50 C ATOM 763 NZ LYS A 51 10.492 -22.630 6.727 1.00 71.50 N ATOM 0 H LYS A 51 7.552 -18.198 10.362 1.00 43.10 H new ATOM 0 HA LYS A 51 8.866 -17.196 8.098 1.00 61.30 H new ATOM 0 HB2 LYS A 51 8.290 -19.632 8.865 1.00 64.00 H new ATOM 0 HB3 LYS A 51 6.756 -19.375 8.057 1.00 64.00 H new ATOM 0 HG2 LYS A 51 7.804 -19.103 5.922 1.00 12.00 H new ATOM 0 HG3 LYS A 51 9.394 -18.922 6.636 1.00 12.00 H new ATOM 0 HD2 LYS A 51 7.826 -21.467 7.088 1.00 73.00 H new ATOM 0 HD3 LYS A 51 8.683 -21.229 5.578 1.00 73.00 H new ATOM 0 HE2 LYS A 51 10.701 -20.570 7.183 1.00 44.50 H new ATOM 0 HE3 LYS A 51 9.792 -21.485 8.369 1.00 44.50 H new ATOM 0 HZ1 LYS A 51 11.377 -22.884 7.210 1.00 71.50 H new ATOM 0 HZ2 LYS A 51 9.795 -23.390 6.860 1.00 71.50 H new ATOM 0 HZ3 LYS A 51 10.676 -22.503 5.711 1.00 71.50 H new ATOM 777 N ALA A 52 5.567 -16.970 8.002 1.00 45.30 N ATOM 778 CA ALA A 52 4.459 -16.300 7.333 1.00 11.20 C ATOM 779 C ALA A 52 4.619 -14.790 7.394 1.00 24.50 C ATOM 780 O ALA A 52 4.284 -14.080 6.445 1.00 5.25 O ATOM 781 CB ALA A 52 3.136 -16.720 7.955 1.00 22.50 C ATOM 0 H ALA A 52 5.290 -17.559 8.788 1.00 45.30 H new ATOM 0 HA ALA A 52 4.464 -16.598 6.284 1.00 11.20 H new ATOM 0 HB1 ALA A 52 2.317 -16.212 7.446 1.00 22.50 H new ATOM 0 HB2 ALA A 52 3.013 -17.798 7.854 1.00 22.50 H new ATOM 0 HB3 ALA A 52 3.129 -16.451 9.011 1.00 22.50 H new ATOM 787 N LYS A 53 5.133 -14.300 8.518 1.00 72.20 N ATOM 788 CA LYS A 53 5.337 -12.860 8.703 1.00 4.11 C ATOM 789 C LYS A 53 6.297 -12.310 7.654 1.00 64.20 C ATOM 790 O LYS A 53 6.184 -11.160 7.242 1.00 2.54 O ATOM 791 CB LYS A 53 5.878 -12.580 10.106 1.00 1.23 C ATOM 792 CG LYS A 53 4.791 -12.360 11.144 1.00 45.30 C ATOM 793 CD LYS A 53 5.378 -11.970 12.492 1.00 22.30 C ATOM 794 CE LYS A 53 6.141 -10.660 12.412 1.00 31.30 C ATOM 795 NZ LYS A 53 6.180 -9.966 13.725 1.00 1.12 N ATOM 0 H LYS A 53 5.416 -14.873 9.313 1.00 72.20 H new ATOM 0 HA LYS A 53 4.375 -12.361 8.586 1.00 4.11 H new ATOM 0 HB2 LYS A 53 6.504 -13.416 10.419 1.00 1.23 H new ATOM 0 HB3 LYS A 53 6.518 -11.699 10.070 1.00 1.23 H new ATOM 0 HG2 LYS A 53 4.112 -11.579 10.802 1.00 45.30 H new ATOM 0 HG3 LYS A 53 4.201 -13.270 11.253 1.00 45.30 H new ATOM 0 HD2 LYS A 53 4.577 -11.881 13.226 1.00 22.30 H new ATOM 0 HD3 LYS A 53 6.044 -12.759 12.841 1.00 22.30 H new ATOM 0 HE2 LYS A 53 7.158 -10.852 12.071 1.00 31.30 H new ATOM 0 HE3 LYS A 53 5.674 -10.011 11.671 1.00 31.30 H new ATOM 0 HZ1 LYS A 53 6.709 -9.076 13.631 1.00 1.12 H new ATOM 0 HZ2 LYS A 53 5.210 -9.761 14.038 1.00 1.12 H new ATOM 0 HZ3 LYS A 53 6.648 -10.575 14.426 1.00 1.12 H new ATOM 809 N GLU A 54 7.242 -13.140 7.228 1.00 32.10 N ATOM 810 CA GLU A 54 8.222 -12.740 6.227 1.00 40.10 C ATOM 811 C GLU A 54 7.579 -12.630 4.849 1.00 0.53 C ATOM 812 O GLU A 54 7.855 -11.690 4.096 1.00 71.20 O ATOM 813 CB GLU A 54 9.381 -13.730 6.184 1.00 23.30 C ATOM 814 CG GLU A 54 10.377 -13.560 7.319 1.00 51.50 C ATOM 815 CD GLU A 54 11.646 -14.360 7.110 1.00 14.20 C ATOM 816 OE1 GLU A 54 11.543 -15.550 6.725 1.00 15.30 O ATOM 817 OE2 GLU A 54 12.742 -13.810 7.332 1.00 71.20 O ATOM 0 H GLU A 54 7.350 -14.098 7.562 1.00 32.10 H new ATOM 0 HA GLU A 54 8.607 -11.760 6.509 1.00 40.10 H new ATOM 0 HB2 GLU A 54 8.982 -14.744 6.213 1.00 23.30 H new ATOM 0 HB3 GLU A 54 9.905 -13.621 5.234 1.00 23.30 H new ATOM 0 HG2 GLU A 54 10.630 -12.505 7.419 1.00 51.50 H new ATOM 0 HG3 GLU A 54 9.910 -13.866 8.255 1.00 51.50 H new ATOM 824 N SER A 55 6.720 -13.590 4.524 1.00 33.10 N ATOM 825 CA SER A 55 6.037 -13.600 3.236 1.00 1.01 C ATOM 826 C SER A 55 5.190 -12.340 3.057 1.00 21.30 C ATOM 827 O SER A 55 5.204 -11.720 1.997 1.00 42.40 O ATOM 828 CB SER A 55 5.156 -14.840 3.113 1.00 14.00 C ATOM 829 OG SER A 55 5.895 -16.020 3.387 1.00 32.10 O ATOM 0 H SER A 55 6.480 -14.371 5.135 1.00 33.10 H new ATOM 0 HA SER A 55 6.794 -13.621 2.452 1.00 1.01 H new ATOM 0 HB2 SER A 55 4.317 -14.764 3.804 1.00 14.00 H new ATOM 0 HB3 SER A 55 4.737 -14.894 2.108 1.00 14.00 H new ATOM 0 HG SER A 55 5.308 -16.800 3.303 1.00 32.10 H new ATOM 835 N ILE A 56 4.455 -11.980 4.102 1.00 13.10 N ATOM 836 CA ILE A 56 3.602 -10.800 4.061 1.00 25.40 C ATOM 837 C ILE A 56 4.434 -9.523 4.092 1.00 12.50 C ATOM 838 O ILE A 56 4.045 -8.504 3.521 1.00 52.30 O ATOM 839 CB ILE A 56 2.609 -10.780 5.239 1.00 13.40 C ATOM 840 CG1 ILE A 56 1.889 -12.120 5.350 1.00 42.00 C ATOM 841 CG2 ILE A 56 1.607 -9.650 5.069 1.00 34.20 C ATOM 842 CD1 ILE A 56 0.900 -12.190 6.493 1.00 64.30 C ATOM 0 H ILE A 56 4.433 -12.488 4.986 1.00 13.10 H new ATOM 0 HA ILE A 56 3.042 -10.847 3.127 1.00 25.40 H new ATOM 0 HB ILE A 56 3.167 -10.610 6.160 1.00 13.40 H new ATOM 0 HG12 ILE A 56 1.364 -12.318 4.415 1.00 42.00 H new ATOM 0 HG13 ILE A 56 2.629 -12.910 5.474 1.00 42.00 H new ATOM 0 HG21 ILE A 56 0.913 -9.650 5.909 1.00 34.20 H new ATOM 0 HG22 ILE A 56 2.135 -8.697 5.035 1.00 34.20 H new ATOM 0 HG23 ILE A 56 1.053 -9.791 4.141 1.00 34.20 H new ATOM 0 HD11 ILE A 56 0.429 -13.173 6.507 1.00 64.30 H new ATOM 0 HD12 ILE A 56 1.421 -12.024 7.436 1.00 64.30 H new ATOM 0 HD13 ILE A 56 0.137 -11.423 6.361 1.00 64.30 H new ATOM 854 N ARG A 57 5.580 -9.585 4.761 1.00 43.40 N ATOM 855 CA ARG A 57 6.467 -8.432 4.866 1.00 35.40 C ATOM 856 C ARG A 57 7.032 -8.055 3.501 1.00 53.20 C ATOM 857 O ARG A 57 6.937 -6.903 3.076 1.00 33.40 O ATOM 858 CB ARG A 57 7.610 -8.728 5.840 1.00 64.30 C ATOM 859 CG ARG A 57 7.309 -8.319 7.272 1.00 75.30 C ATOM 860 CD ARG A 57 8.072 -9.177 8.269 1.00 71.40 C ATOM 861 NE ARG A 57 9.402 -8.641 8.549 1.00 25.50 N ATOM 862 CZ ARG A 57 10.129 -8.979 9.611 1.00 31.30 C ATOM 863 NH1 ARG A 57 9.659 -9.850 10.495 1.00 24.40 N ATOM 864 NH2 ARG A 57 11.329 -8.444 9.790 1.00 2.40 N ATOM 0 H ARG A 57 5.917 -10.421 5.239 1.00 43.40 H new ATOM 0 HA ARG A 57 5.886 -7.591 5.244 1.00 35.40 H new ATOM 0 HB2 ARG A 57 7.831 -9.795 5.814 1.00 64.30 H new ATOM 0 HB3 ARG A 57 8.507 -8.208 5.503 1.00 64.30 H new ATOM 0 HG2 ARG A 57 7.573 -7.271 7.415 1.00 75.30 H new ATOM 0 HG3 ARG A 57 6.239 -8.407 7.459 1.00 75.30 H new ATOM 0 HD2 ARG A 57 7.505 -9.244 9.198 1.00 71.40 H new ATOM 0 HD3 ARG A 57 8.165 -10.190 7.879 1.00 71.40 H new ATOM 0 HE ARG A 57 9.796 -7.968 7.892 1.00 25.50 H new ATOM 0 HH11 ARG A 57 8.736 -10.264 10.362 1.00 24.40 H new ATOM 0 HH12 ARG A 57 10.220 -10.106 11.307 1.00 24.40 H new ATOM 0 HH21 ARG A 57 11.695 -7.774 9.114 1.00 2.40 H new ATOM 0 HH22 ARG A 57 11.887 -8.703 10.604 1.00 2.40 H new ATOM 878 N ALA A 58 7.618 -9.032 2.817 1.00 43.20 N ATOM 879 CA ALA A 58 8.198 -8.803 1.500 1.00 3.11 C ATOM 880 C ALA A 58 7.149 -8.287 0.520 1.00 64.40 C ATOM 881 O ALA A 58 7.436 -7.433 -0.319 1.00 53.00 O ATOM 882 CB ALA A 58 8.832 -10.080 0.973 1.00 65.20 C ATOM 0 H ALA A 58 7.704 -9.991 3.154 1.00 43.20 H new ATOM 0 HA ALA A 58 8.971 -8.041 1.599 1.00 3.11 H new ATOM 0 HB1 ALA A 58 9.261 -9.894 -0.012 1.00 65.20 H new ATOM 0 HB2 ALA A 58 9.617 -10.405 1.656 1.00 65.20 H new ATOM 0 HB3 ALA A 58 8.073 -10.858 0.897 1.00 65.20 H new ATOM 888 N LYS A 59 5.934 -8.812 0.632 1.00 44.50 N ATOM 889 CA LYS A 59 4.842 -8.404 -0.244 1.00 2.30 C ATOM 890 C LYS A 59 4.392 -6.982 0.073 1.00 54.20 C ATOM 891 O LYS A 59 3.975 -6.239 -0.816 1.00 73.10 O ATOM 892 CB LYS A 59 3.661 -9.367 -0.105 1.00 25.00 C ATOM 893 CG LYS A 59 3.963 -10.770 -0.596 1.00 13.40 C ATOM 894 CD LYS A 59 4.113 -10.810 -2.108 1.00 44.40 C ATOM 895 CE LYS A 59 4.710 -12.130 -2.572 1.00 62.20 C ATOM 896 NZ LYS A 59 6.198 -12.090 -2.599 1.00 50.00 N ATOM 0 H LYS A 59 5.680 -9.521 1.320 1.00 44.50 H new ATOM 0 HA LYS A 59 5.205 -8.431 -1.271 1.00 2.30 H new ATOM 0 HB2 LYS A 59 3.362 -9.414 0.942 1.00 25.00 H new ATOM 0 HB3 LYS A 59 2.812 -8.971 -0.662 1.00 25.00 H new ATOM 0 HG2 LYS A 59 4.879 -11.131 -0.129 1.00 13.40 H new ATOM 0 HG3 LYS A 59 3.162 -11.444 -0.291 1.00 13.40 H new ATOM 0 HD2 LYS A 59 3.139 -10.665 -2.576 1.00 44.40 H new ATOM 0 HD3 LYS A 59 4.749 -9.987 -2.434 1.00 44.40 H new ATOM 0 HE2 LYS A 59 4.381 -12.930 -1.909 1.00 62.20 H new ATOM 0 HE3 LYS A 59 4.336 -12.367 -3.568 1.00 62.20 H new ATOM 0 HZ1 LYS A 59 6.564 -13.009 -2.921 1.00 50.00 H new ATOM 0 HZ2 LYS A 59 6.513 -11.344 -3.251 1.00 50.00 H new ATOM 0 HZ3 LYS A 59 6.557 -11.889 -1.644 1.00 50.00 H new ATOM 910 N CYS A 60 4.480 -6.609 1.346 1.00 22.30 N ATOM 911 CA CYS A 60 4.082 -5.275 1.780 1.00 31.10 C ATOM 912 C CYS A 60 5.170 -4.253 1.467 1.00 1.23 C ATOM 913 O CYS A 60 4.889 -3.166 0.962 1.00 2.30 O ATOM 914 CB CYS A 60 3.780 -5.273 3.280 1.00 53.40 C ATOM 915 SG CYS A 60 2.281 -6.177 3.732 1.00 74.20 S ATOM 0 H CYS A 60 4.823 -7.211 2.094 1.00 22.30 H new ATOM 0 HA CYS A 60 3.180 -4.997 1.234 1.00 31.10 H new ATOM 0 HB2 CYS A 60 4.627 -5.707 3.811 1.00 53.40 H new ATOM 0 HB3 CYS A 60 3.686 -4.241 3.619 1.00 53.40 H new ATOM 0 HG CYS A 60 2.468 -7.449 3.542 1.00 74.20 H new ATOM 921 N VAL A 61 6.414 -4.609 1.771 1.00 10.40 N ATOM 922 CA VAL A 61 7.545 -3.723 1.522 1.00 4.24 C ATOM 923 C VAL A 61 7.652 -3.373 0.041 1.00 32.30 C ATOM 924 O VAL A 61 7.969 -2.239 -0.317 1.00 63.30 O ATOM 925 CB VAL A 61 8.870 -4.358 1.986 1.00 3.51 C ATOM 926 CG1 VAL A 61 10.014 -3.362 1.865 1.00 60.20 C ATOM 927 CG2 VAL A 61 8.748 -4.870 3.415 1.00 45.00 C ATOM 0 H VAL A 61 6.664 -5.505 2.190 1.00 10.40 H new ATOM 0 HA VAL A 61 7.367 -2.814 2.096 1.00 4.24 H new ATOM 0 HB VAL A 61 9.089 -5.207 1.338 1.00 3.51 H new ATOM 0 HG11 VAL A 61 10.941 -3.830 2.198 1.00 60.20 H new ATOM 0 HG12 VAL A 61 10.117 -3.051 0.825 1.00 60.20 H new ATOM 0 HG13 VAL A 61 9.805 -2.490 2.485 1.00 60.20 H new ATOM 0 HG21 VAL A 61 9.694 -5.315 3.724 1.00 45.00 H new ATOM 0 HG22 VAL A 61 8.503 -4.041 4.079 1.00 45.00 H new ATOM 0 HG23 VAL A 61 7.960 -5.621 3.466 1.00 45.00 H new ATOM 937 N GLN A 62 7.386 -4.355 -0.814 1.00 63.30 N ATOM 938 CA GLN A 62 7.452 -4.150 -2.256 1.00 21.40 C ATOM 939 C GLN A 62 6.268 -3.320 -2.742 1.00 24.10 C ATOM 940 O GLN A 62 6.414 -2.464 -3.614 1.00 75.10 O ATOM 941 CB GLN A 62 7.479 -5.496 -2.983 1.00 62.10 C ATOM 942 CG GLN A 62 8.156 -5.440 -4.343 1.00 35.20 C ATOM 943 CD GLN A 62 7.162 -5.419 -5.488 1.00 15.30 C ATOM 944 OE1 GLN A 62 6.512 -6.423 -5.779 1.00 55.20 O ATOM 945 NE2 GLN A 62 7.040 -4.272 -6.145 1.00 32.10 N ATOM 0 H GLN A 62 7.123 -5.300 -0.533 1.00 63.30 H new ATOM 0 HA GLN A 62 8.370 -3.606 -2.479 1.00 21.40 H new ATOM 0 HB2 GLN A 62 7.995 -6.226 -2.359 1.00 62.10 H new ATOM 0 HB3 GLN A 62 6.456 -5.851 -3.110 1.00 62.10 H new ATOM 0 HG2 GLN A 62 8.784 -4.551 -4.396 1.00 35.20 H new ATOM 0 HG3 GLN A 62 8.814 -6.302 -4.453 1.00 35.20 H new ATOM 0 HE21 GLN A 62 7.599 -3.465 -5.869 1.00 32.10 H new ATOM 0 HE22 GLN A 62 6.387 -4.198 -6.925 1.00 32.10 H new ATOM 954 N TYR A 63 5.097 -3.580 -2.172 1.00 32.10 N ATOM 955 CA TYR A 63 3.887 -2.857 -2.546 1.00 41.40 C ATOM 956 C TYR A 63 3.954 -1.407 -2.078 1.00 32.20 C ATOM 957 O TYR A 63 3.423 -0.508 -2.731 1.00 40.40 O ATOM 958 CB TYR A 63 2.654 -3.541 -1.953 1.00 4.51 C ATOM 959 CG TYR A 63 2.043 -4.584 -2.861 1.00 24.30 C ATOM 960 CD1 TYR A 63 1.854 -4.330 -4.214 1.00 71.20 C ATOM 961 CD2 TYR A 63 1.656 -5.823 -2.366 1.00 31.00 C ATOM 962 CE1 TYR A 63 1.296 -5.281 -5.047 1.00 14.40 C ATOM 963 CE2 TYR A 63 1.097 -6.779 -3.193 1.00 13.20 C ATOM 964 CZ TYR A 63 0.919 -6.503 -4.532 1.00 75.20 C ATOM 965 OH TYR A 63 0.363 -7.452 -5.358 1.00 53.50 O ATOM 0 H TYR A 63 4.960 -4.286 -1.449 1.00 32.10 H new ATOM 0 HA TYR A 63 3.810 -2.866 -3.633 1.00 41.40 H new ATOM 0 HB2 TYR A 63 2.929 -4.010 -1.008 1.00 4.51 H new ATOM 0 HB3 TYR A 63 1.903 -2.784 -1.727 1.00 4.51 H new ATOM 0 HD1 TYR A 63 2.148 -3.374 -4.621 1.00 71.20 H new ATOM 0 HD2 TYR A 63 1.794 -6.043 -1.318 1.00 31.00 H new ATOM 0 HE1 TYR A 63 1.156 -5.068 -6.096 1.00 14.40 H new ATOM 0 HE2 TYR A 63 0.801 -7.737 -2.792 1.00 13.20 H new ATOM 0 HH TYR A 63 0.155 -8.256 -4.838 1.00 53.50 H new ATOM 975 N LEU A 64 4.609 -1.187 -0.943 1.00 24.40 N ATOM 976 CA LEU A 64 4.746 0.154 -0.387 1.00 14.20 C ATOM 977 C LEU A 64 5.625 1.025 -1.278 1.00 63.20 C ATOM 978 O LEU A 64 5.328 2.198 -1.504 1.00 63.00 O ATOM 979 CB LEU A 64 5.336 0.086 1.023 1.00 74.20 C ATOM 980 CG LEU A 64 4.807 1.140 1.998 1.00 52.30 C ATOM 981 CD1 LEU A 64 4.766 0.586 3.413 1.00 23.30 C ATOM 982 CD2 LEU A 64 5.664 2.396 1.939 1.00 22.30 C ATOM 0 H LEU A 64 5.053 -1.920 -0.390 1.00 24.40 H new ATOM 0 HA LEU A 64 3.754 0.603 -0.337 1.00 14.20 H new ATOM 0 HB2 LEU A 64 5.136 -0.902 1.437 1.00 74.20 H new ATOM 0 HB3 LEU A 64 6.419 0.189 0.953 1.00 74.20 H new ATOM 0 HG LEU A 64 3.791 1.403 1.704 1.00 52.30 H new ATOM 0 HD11 LEU A 64 4.387 1.350 4.092 1.00 23.30 H new ATOM 0 HD12 LEU A 64 4.111 -0.284 3.444 1.00 23.30 H new ATOM 0 HD13 LEU A 64 5.771 0.295 3.719 1.00 23.30 H new ATOM 0 HD21 LEU A 64 5.274 3.136 2.638 1.00 22.30 H new ATOM 0 HD22 LEU A 64 6.691 2.149 2.207 1.00 22.30 H new ATOM 0 HD23 LEU A 64 5.641 2.805 0.929 1.00 22.30 H new ATOM 994 N ASP A 65 6.708 0.443 -1.782 1.00 44.40 N ATOM 995 CA ASP A 65 7.631 1.166 -2.650 1.00 22.40 C ATOM 996 C ASP A 65 6.922 1.658 -3.907 1.00 34.30 C ATOM 997 O ASP A 65 7.039 2.824 -4.282 1.00 44.00 O ATOM 998 CB ASP A 65 8.811 0.271 -3.032 1.00 52.50 C ATOM 999 CG ASP A 65 10.117 1.037 -3.108 1.00 61.30 C ATOM 1000 OD1 ASP A 65 10.228 2.089 -2.443 1.00 35.10 O ATOM 1001 OD2 ASP A 65 11.029 0.586 -3.832 1.00 14.40 O ATOM 0 H ASP A 65 6.968 -0.527 -1.605 1.00 44.40 H new ATOM 0 HA ASP A 65 8.004 2.032 -2.103 1.00 22.40 H new ATOM 0 HB2 ASP A 65 8.906 -0.532 -2.301 1.00 52.50 H new ATOM 0 HB3 ASP A 65 8.611 -0.197 -3.996 1.00 52.50 H new ATOM 1006 N ARG A 66 6.186 0.760 -4.555 1.00 4.35 N ATOM 1007 CA ARG A 66 5.457 1.103 -5.770 1.00 43.20 C ATOM 1008 C ARG A 66 4.455 2.222 -5.506 1.00 74.40 C ATOM 1009 O ARG A 66 4.337 3.162 -6.293 1.00 50.50 O ATOM 1010 CB ARG A 66 4.732 -0.127 -6.320 1.00 31.30 C ATOM 1011 CG ARG A 66 5.575 -0.952 -7.278 1.00 22.40 C ATOM 1012 CD ARG A 66 5.295 -0.581 -8.726 1.00 75.00 C ATOM 1013 NE ARG A 66 4.076 -1.211 -9.227 1.00 71.20 N ATOM 1014 CZ ARG A 66 4.004 -2.482 -9.615 1.00 42.30 C ATOM 1015 NH1 ARG A 66 5.077 -3.262 -9.561 1.00 24.30 N ATOM 1016 NH2 ARG A 66 2.856 -2.976 -10.050 1.00 45.30 N ATOM 0 H ARG A 66 6.079 -0.210 -4.259 1.00 4.35 H new ATOM 0 HA ARG A 66 6.178 1.452 -6.509 1.00 43.20 H new ATOM 0 HB2 ARG A 66 4.421 -0.758 -5.487 1.00 31.30 H new ATOM 0 HB3 ARG A 66 3.825 0.195 -6.832 1.00 31.30 H new ATOM 0 HG2 ARG A 66 6.632 -0.798 -7.060 1.00 22.40 H new ATOM 0 HG3 ARG A 66 5.369 -2.012 -7.126 1.00 22.40 H new ATOM 0 HD2 ARG A 66 5.205 0.502 -8.812 1.00 75.00 H new ATOM 0 HD3 ARG A 66 6.139 -0.881 -9.347 1.00 75.00 H new ATOM 0 HE ARG A 66 3.230 -0.643 -9.283 1.00 71.20 H new ATOM 0 HH11 ARG A 66 5.963 -2.888 -9.221 1.00 24.30 H new ATOM 0 HH12 ARG A 66 5.016 -4.235 -9.860 1.00 24.30 H new ATOM 0 HH21 ARG A 66 2.027 -2.383 -10.088 1.00 45.30 H new ATOM 0 HH22 ARG A 66 2.800 -3.950 -10.348 1.00 45.30 H new ATOM 1030 N ALA A 67 3.736 2.116 -4.393 1.00 65.40 N ATOM 1031 CA ALA A 67 2.744 3.119 -4.023 1.00 70.10 C ATOM 1032 C ALA A 67 3.367 4.509 -3.952 1.00 40.40 C ATOM 1033 O ALA A 67 2.812 5.477 -4.471 1.00 64.40 O ATOM 1034 CB ALA A 67 2.101 2.758 -2.692 1.00 65.40 C ATOM 0 H ALA A 67 3.822 1.345 -3.731 1.00 65.40 H new ATOM 0 HA ALA A 67 1.974 3.135 -4.794 1.00 70.10 H new ATOM 0 HB1 ALA A 67 1.363 3.515 -2.428 1.00 65.40 H new ATOM 0 HB2 ALA A 67 1.612 1.787 -2.776 1.00 65.40 H new ATOM 0 HB3 ALA A 67 2.867 2.713 -1.918 1.00 65.40 H new ATOM 1040 N GLU A 68 4.527 4.598 -3.308 1.00 31.40 N ATOM 1041 CA GLU A 68 5.230 5.868 -3.171 1.00 41.40 C ATOM 1042 C GLU A 68 5.531 6.470 -4.541 1.00 54.10 C ATOM 1043 O GLU A 68 5.489 7.688 -4.719 1.00 20.30 O ATOM 1044 CB GLU A 68 6.531 5.668 -2.386 1.00 14.30 C ATOM 1045 CG GLU A 68 7.454 6.877 -2.402 1.00 23.00 C ATOM 1046 CD GLU A 68 8.467 6.853 -1.275 1.00 31.20 C ATOM 1047 OE1 GLU A 68 9.489 6.147 -1.411 1.00 52.40 O ATOM 1048 OE2 GLU A 68 8.240 7.539 -0.257 1.00 22.20 O ATOM 0 H GLU A 68 4.999 3.806 -2.873 1.00 31.40 H new ATOM 0 HA GLU A 68 4.588 6.559 -2.625 1.00 41.40 H new ATOM 0 HB2 GLU A 68 6.286 5.424 -1.352 1.00 14.30 H new ATOM 0 HB3 GLU A 68 7.064 4.811 -2.798 1.00 14.30 H new ATOM 0 HG2 GLU A 68 7.979 6.916 -3.356 1.00 23.00 H new ATOM 0 HG3 GLU A 68 6.857 7.786 -2.329 1.00 23.00 H new ATOM 1055 N LYS A 69 5.836 5.608 -5.503 1.00 62.40 N ATOM 1056 CA LYS A 69 6.147 6.050 -6.857 1.00 43.10 C ATOM 1057 C LYS A 69 4.877 6.413 -7.621 1.00 11.20 C ATOM 1058 O LYS A 69 4.899 7.264 -8.510 1.00 74.30 O ATOM 1059 CB LYS A 69 6.914 4.959 -7.604 1.00 42.00 C ATOM 1060 CG LYS A 69 7.310 5.352 -9.018 1.00 33.10 C ATOM 1061 CD LYS A 69 8.598 4.668 -9.446 1.00 14.20 C ATOM 1062 CE LYS A 69 8.964 5.016 -10.880 1.00 11.40 C ATOM 1063 NZ LYS A 69 9.923 6.153 -10.940 1.00 20.50 N ATOM 0 H LYS A 69 5.875 4.597 -5.371 1.00 62.40 H new ATOM 0 HA LYS A 69 6.770 6.942 -6.788 1.00 43.10 H new ATOM 0 HB2 LYS A 69 7.813 4.708 -7.041 1.00 42.00 H new ATOM 0 HB3 LYS A 69 6.301 4.059 -7.644 1.00 42.00 H new ATOM 0 HG2 LYS A 69 6.509 5.087 -9.708 1.00 33.10 H new ATOM 0 HG3 LYS A 69 7.435 6.433 -9.075 1.00 33.10 H new ATOM 0 HD2 LYS A 69 9.408 4.966 -8.780 1.00 14.20 H new ATOM 0 HD3 LYS A 69 8.487 3.588 -9.350 1.00 14.20 H new ATOM 0 HE2 LYS A 69 9.402 4.144 -11.366 1.00 11.40 H new ATOM 0 HE3 LYS A 69 8.061 5.271 -11.435 1.00 11.40 H new ATOM 0 HZ1 LYS A 69 10.151 6.363 -11.933 1.00 20.50 H new ATOM 0 HZ2 LYS A 69 9.495 6.992 -10.498 1.00 20.50 H new ATOM 0 HZ3 LYS A 69 10.794 5.900 -10.431 1.00 20.50 H new ATOM 1077 N LEU A 70 3.772 5.763 -7.270 1.00 13.20 N ATOM 1078 CA LEU A 70 2.495 6.021 -7.925 1.00 24.10 C ATOM 1079 C LEU A 70 2.038 7.456 -7.680 1.00 21.30 C ATOM 1080 O LEU A 70 1.720 8.185 -8.619 1.00 12.40 O ATOM 1081 CB LEU A 70 1.431 5.042 -7.423 1.00 15.30 C ATOM 1082 CG LEU A 70 1.577 3.607 -7.935 1.00 71.00 C ATOM 1083 CD1 LEU A 70 0.404 2.756 -7.474 1.00 54.10 C ATOM 1084 CD2 LEU A 70 1.685 3.590 -9.452 1.00 33.00 C ATOM 0 H LEU A 70 3.735 5.055 -6.537 1.00 13.20 H new ATOM 0 HA LEU A 70 2.631 5.879 -8.997 1.00 24.10 H new ATOM 0 HB2 LEU A 70 1.458 5.027 -6.333 1.00 15.30 H new ATOM 0 HB3 LEU A 70 0.449 5.417 -7.712 1.00 15.30 H new ATOM 0 HG LEU A 70 2.493 3.185 -7.521 1.00 71.00 H new ATOM 0 HD11 LEU A 70 0.524 1.739 -7.847 1.00 54.10 H new ATOM 0 HD12 LEU A 70 0.371 2.742 -6.385 1.00 54.10 H new ATOM 0 HD13 LEU A 70 -0.525 3.177 -7.860 1.00 54.10 H new ATOM 0 HD21 LEU A 70 1.788 2.562 -9.798 1.00 33.00 H new ATOM 0 HD22 LEU A 70 0.787 4.030 -9.886 1.00 33.00 H new ATOM 0 HD23 LEU A 70 2.557 4.166 -9.761 1.00 33.00 H new ATOM 1096 N LYS A 71 2.010 7.854 -6.412 1.00 33.20 N ATOM 1097 CA LYS A 71 1.593 9.202 -6.044 1.00 33.00 C ATOM 1098 C LYS A 71 2.613 10.233 -6.517 1.00 5.23 C ATOM 1099 O LYS A 71 2.256 11.359 -6.866 1.00 30.50 O ATOM 1100 CB LYS A 71 1.410 9.306 -4.529 1.00 65.20 C ATOM 1101 CG LYS A 71 2.570 8.729 -3.734 1.00 32.10 C ATOM 1102 CD LYS A 71 2.809 9.507 -2.451 1.00 72.00 C ATOM 1103 CE LYS A 71 4.293 9.647 -2.152 1.00 11.00 C ATOM 1104 NZ LYS A 71 4.607 10.944 -1.492 1.00 52.00 N ATOM 0 H LYS A 71 2.271 7.263 -5.623 1.00 33.20 H new ATOM 0 HA LYS A 71 0.641 9.408 -6.532 1.00 33.00 H new ATOM 0 HB2 LYS A 71 1.281 10.354 -4.258 1.00 65.20 H new ATOM 0 HB3 LYS A 71 0.494 8.788 -4.246 1.00 65.20 H new ATOM 0 HG2 LYS A 71 2.365 7.686 -3.495 1.00 32.10 H new ATOM 0 HG3 LYS A 71 3.473 8.745 -4.344 1.00 32.10 H new ATOM 0 HD2 LYS A 71 2.359 10.496 -2.535 1.00 72.00 H new ATOM 0 HD3 LYS A 71 2.316 9.002 -1.621 1.00 72.00 H new ATOM 0 HE2 LYS A 71 4.613 8.826 -1.510 1.00 11.00 H new ATOM 0 HE3 LYS A 71 4.859 9.565 -3.080 1.00 11.00 H new ATOM 0 HZ1 LYS A 71 5.629 11.000 -1.305 1.00 52.00 H new ATOM 0 HZ2 LYS A 71 4.325 11.728 -2.115 1.00 52.00 H new ATOM 0 HZ3 LYS A 71 4.087 11.012 -0.594 1.00 52.00 H new ATOM 1118 N ASP A 72 3.883 9.841 -6.525 1.00 41.30 N ATOM 1119 CA ASP A 72 4.955 10.731 -6.955 1.00 73.10 C ATOM 1120 C ASP A 72 4.953 10.894 -8.471 1.00 3.15 C ATOM 1121 O ASP A 72 5.343 11.938 -8.994 1.00 54.40 O ATOM 1122 CB ASP A 72 6.309 10.193 -6.490 1.00 51.00 C ATOM 1123 CG ASP A 72 6.702 10.720 -5.123 1.00 33.40 C ATOM 1124 OD1 ASP A 72 5.806 11.174 -4.381 1.00 14.40 O ATOM 1125 OD2 ASP A 72 7.907 10.678 -4.795 1.00 43.40 O ATOM 0 H ASP A 72 4.195 8.913 -6.239 1.00 41.30 H new ATOM 0 HA ASP A 72 4.785 11.708 -6.503 1.00 73.10 H new ATOM 0 HB2 ASP A 72 6.273 9.104 -6.460 1.00 51.00 H new ATOM 0 HB3 ASP A 72 7.075 10.467 -7.216 1.00 51.00 H new ATOM 1130 N TYR A 73 4.513 9.854 -9.173 1.00 63.30 N ATOM 1131 CA TYR A 73 4.462 9.881 -10.630 1.00 72.10 C ATOM 1132 C TYR A 73 3.465 10.926 -11.120 1.00 62.20 C ATOM 1133 O TYR A 73 3.800 11.779 -11.940 1.00 53.50 O ATOM 1134 CB TYR A 73 4.083 8.500 -11.170 1.00 23.40 C ATOM 1135 CG TYR A 73 3.965 8.447 -12.670 1.00 12.50 C ATOM 1136 CD1 TYR A 73 5.069 8.164 -13.470 1.00 70.10 C ATOM 1137 CD2 TYR A 73 2.748 8.681 -13.300 1.00 33.20 C ATOM 1138 CE1 TYR A 73 4.964 8.116 -14.840 1.00 11.00 C ATOM 1139 CE2 TYR A 73 2.635 8.634 -14.680 1.00 52.40 C ATOM 1140 CZ TYR A 73 3.745 8.351 -15.440 1.00 44.30 C ATOM 1141 OH TYR A 73 3.637 8.303 -16.820 1.00 12.30 O ATOM 0 H TYR A 73 4.187 8.982 -8.756 1.00 63.30 H new ATOM 0 HA TYR A 73 5.451 10.150 -11.001 1.00 72.10 H new ATOM 0 HB2 TYR A 73 4.831 7.776 -10.848 1.00 23.40 H new ATOM 0 HB3 TYR A 73 3.134 8.195 -10.729 1.00 23.40 H new ATOM 0 HD1 TYR A 73 6.026 7.979 -13.005 1.00 70.10 H new ATOM 0 HD2 TYR A 73 1.876 8.903 -12.703 1.00 33.20 H new ATOM 0 HE1 TYR A 73 5.832 7.895 -15.443 1.00 11.00 H new ATOM 0 HE2 TYR A 73 1.683 8.818 -15.155 1.00 52.40 H new ATOM 0 HH TYR A 73 2.712 8.490 -17.082 1.00 12.30 H new ATOM 1151 N LEU A 74 2.238 10.851 -10.610 1.00 53.10 N ATOM 1152 CA LEU A 74 1.191 11.788 -11.000 1.00 1.14 C ATOM 1153 C LEU A 74 1.598 13.225 -10.690 1.00 3.51 C ATOM 1154 O LEU A 74 1.617 14.080 -11.580 1.00 43.50 O ATOM 1155 CB LEU A 74 -0.118 11.450 -10.290 1.00 40.40 C ATOM 1156 CG LEU A 74 -1.004 10.431 -11.010 1.00 43.40 C ATOM 1157 CD1 LEU A 74 -1.772 9.587 -10.000 1.00 13.30 C ATOM 1158 CD2 LEU A 74 -1.961 11.136 -11.960 1.00 63.50 C ATOM 0 H LEU A 74 1.946 10.152 -9.927 1.00 53.10 H new ATOM 0 HA LEU A 74 1.044 11.698 -12.076 1.00 1.14 H new ATOM 0 HB2 LEU A 74 0.114 11.068 -9.296 1.00 40.40 H new ATOM 0 HB3 LEU A 74 -0.687 12.370 -10.153 1.00 40.40 H new ATOM 0 HG LEU A 74 -0.366 9.769 -11.596 1.00 43.40 H new ATOM 0 HD11 LEU A 74 -2.397 8.867 -10.528 1.00 13.30 H new ATOM 0 HD12 LEU A 74 -1.068 9.055 -9.360 1.00 13.30 H new ATOM 0 HD13 LEU A 74 -2.401 10.234 -9.388 1.00 13.30 H new ATOM 0 HD21 LEU A 74 -2.584 10.397 -12.464 1.00 63.50 H new ATOM 0 HD22 LEU A 74 -2.595 11.821 -11.396 1.00 63.50 H new ATOM 0 HD23 LEU A 74 -1.391 11.696 -12.701 1.00 63.50 H new ATOM 1170 N ARG A 75 1.920 13.486 -9.436 1.00 24.40 N ATOM 1171 CA ARG A 75 2.325 14.822 -9.011 1.00 51.20 C ATOM 1172 C ARG A 75 3.554 15.292 -9.783 1.00 74.30 C ATOM 1173 O ARG A 75 3.730 16.487 -10.020 1.00 11.00 O ATOM 1174 CB ARG A 75 2.616 14.836 -7.509 1.00 23.10 C ATOM 1175 CG ARG A 75 3.797 13.967 -7.109 1.00 41.50 C ATOM 1176 CD ARG A 75 3.918 13.853 -5.598 1.00 33.00 C ATOM 1177 NE ARG A 75 5.312 13.812 -5.162 1.00 24.00 N ATOM 1178 CZ ARG A 75 5.705 14.054 -3.914 1.00 70.10 C ATOM 1179 NH1 ARG A 75 4.815 14.355 -2.976 1.00 43.50 N ATOM 1180 NH2 ARG A 75 6.993 13.995 -3.602 1.00 52.50 N ATOM 0 H ARG A 75 1.910 12.791 -8.689 1.00 24.40 H new ATOM 0 HA ARG A 75 1.503 15.506 -9.222 1.00 51.20 H new ATOM 0 HB2 ARG A 75 2.808 15.862 -7.194 1.00 23.10 H new ATOM 0 HB3 ARG A 75 1.729 14.498 -6.973 1.00 23.10 H new ATOM 0 HG2 ARG A 75 3.682 12.973 -7.542 1.00 41.50 H new ATOM 0 HG3 ARG A 75 4.715 14.389 -7.518 1.00 41.50 H new ATOM 0 HD2 ARG A 75 3.416 14.700 -5.129 1.00 33.00 H new ATOM 0 HD3 ARG A 75 3.406 12.952 -5.260 1.00 33.00 H new ATOM 0 HE ARG A 75 6.025 13.585 -5.855 1.00 24.00 H new ATOM 0 HH11 ARG A 75 3.823 14.402 -3.210 1.00 43.50 H new ATOM 0 HH12 ARG A 75 5.123 14.539 -2.021 1.00 43.50 H new ATOM 0 HH21 ARG A 75 7.681 13.764 -4.319 1.00 52.50 H new ATOM 0 HH22 ARG A 75 7.295 14.180 -2.646 1.00 52.50 H new ATOM 1195 N GLU B 115 10.464 -4.076 9.555 1.00 15.40 N ATOM 1196 CA GLU B 115 9.055 -3.699 9.586 1.00 0.40 C ATOM 1197 C GLU B 115 8.897 -2.209 9.871 1.00 24.00 C ATOM 1198 O GLU B 115 7.952 -1.575 9.402 1.00 11.20 O ATOM 1199 CB GLU B 115 8.311 -4.515 10.645 1.00 22.10 C ATOM 1200 CG GLU B 115 6.893 -4.885 10.240 1.00 54.20 C ATOM 1201 CD GLU B 115 5.878 -3.833 10.641 1.00 1.23 C ATOM 1202 OE1 GLU B 115 5.646 -2.899 9.845 1.00 52.40 O ATOM 1203 OE2 GLU B 115 5.317 -3.941 11.751 1.00 42.30 O ATOM 0 HA GLU B 115 8.626 -3.910 8.607 1.00 0.40 H new ATOM 0 HB2 GLU B 115 8.872 -5.427 10.850 1.00 22.10 H new ATOM 0 HB3 GLU B 115 8.278 -3.946 11.574 1.00 22.10 H new ATOM 0 HG2 GLU B 115 6.854 -5.029 9.160 1.00 54.20 H new ATOM 0 HG3 GLU B 115 6.625 -5.837 10.699 1.00 54.20 H new ATOM 1210 N ASP B 116 9.828 -1.657 10.642 1.00 13.20 N ATOM 1211 CA ASP B 116 9.792 -0.241 10.989 1.00 24.50 C ATOM 1212 C ASP B 116 10.098 0.628 9.774 1.00 43.10 C ATOM 1213 O ASP B 116 9.618 1.756 9.668 1.00 4.32 O ATOM 1214 CB ASP B 116 10.792 0.056 12.108 1.00 5.25 C ATOM 1215 CG ASP B 116 10.370 -0.543 13.435 1.00 22.10 C ATOM 1216 OD1 ASP B 116 9.552 0.088 14.138 1.00 63.10 O ATOM 1217 OD2 ASP B 116 10.858 -1.642 13.773 1.00 12.40 O ATOM 0 H ASP B 116 10.616 -2.168 11.038 1.00 13.20 H new ATOM 0 HA ASP B 116 8.786 -0.004 11.336 1.00 24.50 H new ATOM 0 HB2 ASP B 116 11.770 -0.336 11.830 1.00 5.25 H new ATOM 0 HB3 ASP B 116 10.900 1.135 12.218 1.00 5.25 H new ATOM 1222 N GLN B 117 10.902 0.096 8.858 1.00 64.30 N ATOM 1223 CA GLN B 117 11.272 0.824 7.650 1.00 65.50 C ATOM 1224 C GLN B 117 10.037 1.196 6.836 1.00 1.12 C ATOM 1225 O GLN B 117 9.768 2.374 6.602 1.00 1.13 O ATOM 1226 CB GLN B 117 12.225 -0.015 6.796 1.00 4.41 C ATOM 1227 CG GLN B 117 12.736 0.711 5.562 1.00 12.00 C ATOM 1228 CD GLN B 117 14.093 1.350 5.782 1.00 24.10 C ATOM 1229 OE1 GLN B 117 15.120 0.812 5.369 1.00 32.30 O ATOM 1230 NE2 GLN B 117 14.103 2.506 6.436 1.00 24.20 N ATOM 0 H GLN B 117 11.309 -0.836 8.930 1.00 64.30 H new ATOM 0 HA GLN B 117 11.776 1.743 7.951 1.00 65.50 H new ATOM 0 HB2 GLN B 117 13.075 -0.318 7.407 1.00 4.41 H new ATOM 0 HB3 GLN B 117 11.714 -0.926 6.486 1.00 4.41 H new ATOM 0 HG2 GLN B 117 12.800 0.008 4.732 1.00 12.00 H new ATOM 0 HG3 GLN B 117 12.019 1.480 5.274 1.00 12.00 H new ATOM 0 HE21 GLN B 117 13.227 2.916 6.760 1.00 24.20 H new ATOM 0 HE22 GLN B 117 14.986 2.984 6.614 1.00 24.20 H new ATOM 1239 N LEU B 118 9.290 0.184 6.407 1.00 22.40 N ATOM 1240 CA LEU B 118 8.083 0.406 5.618 1.00 73.40 C ATOM 1241 C LEU B 118 6.964 0.978 6.483 1.00 11.30 C ATOM 1242 O LEU B 118 6.106 1.715 5.996 1.00 0.41 O ATOM 1243 CB LEU B 118 7.625 -0.901 4.969 1.00 12.20 C ATOM 1244 CG LEU B 118 7.134 -1.973 5.943 1.00 50.20 C ATOM 1245 CD1 LEU B 118 6.025 -2.801 5.313 1.00 32.00 C ATOM 1246 CD2 LEU B 118 8.287 -2.867 6.376 1.00 34.30 C ATOM 0 H LEU B 118 9.499 -0.797 6.592 1.00 22.40 H new ATOM 0 HA LEU B 118 8.318 1.128 4.836 1.00 73.40 H new ATOM 0 HB2 LEU B 118 6.823 -0.677 4.265 1.00 12.20 H new ATOM 0 HB3 LEU B 118 8.453 -1.310 4.390 1.00 12.20 H new ATOM 0 HG LEU B 118 6.732 -1.477 6.826 1.00 50.20 H new ATOM 0 HD11 LEU B 118 5.689 -3.558 6.021 1.00 32.00 H new ATOM 0 HD12 LEU B 118 5.189 -2.152 5.052 1.00 32.00 H new ATOM 0 HD13 LEU B 118 6.401 -3.288 4.413 1.00 32.00 H new ATOM 0 HD21 LEU B 118 7.920 -3.624 7.069 1.00 34.30 H new ATOM 0 HD22 LEU B 118 8.718 -3.354 5.501 1.00 34.30 H new ATOM 0 HD23 LEU B 118 9.050 -2.264 6.868 1.00 34.30 H new ATOM 1258 N SER B 119 6.978 0.635 7.767 1.00 44.10 N ATOM 1259 CA SER B 119 5.963 1.116 8.697 1.00 32.40 C ATOM 1260 C SER B 119 5.973 2.639 8.774 1.00 53.40 C ATOM 1261 O SER B 119 4.921 3.274 8.851 1.00 61.00 O ATOM 1262 CB SER B 119 6.193 0.522 10.088 1.00 55.30 C ATOM 1263 OG SER B 119 5.280 1.057 11.030 1.00 5.43 O ATOM 0 H SER B 119 7.681 0.026 8.187 1.00 44.10 H new ATOM 0 HA SER B 119 4.988 0.795 8.329 1.00 32.40 H new ATOM 0 HB2 SER B 119 6.084 -0.562 10.046 1.00 55.30 H new ATOM 0 HB3 SER B 119 7.214 0.727 10.410 1.00 55.30 H new ATOM 0 HG SER B 119 5.448 0.660 11.910 1.00 5.43 H new ATOM 1269 N ARG B 120 7.169 3.219 8.754 1.00 14.00 N ATOM 1270 CA ARG B 120 7.316 4.669 8.821 1.00 43.40 C ATOM 1271 C ARG B 120 6.974 5.313 7.482 1.00 0.41 C ATOM 1272 O ARG B 120 6.360 6.380 7.434 1.00 2.44 O ATOM 1273 CB ARG B 120 8.743 5.039 9.228 1.00 40.20 C ATOM 1274 CG ARG B 120 8.944 5.122 10.733 1.00 60.10 C ATOM 1275 CD ARG B 120 10.369 4.765 11.125 1.00 63.40 C ATOM 1276 NE ARG B 120 10.808 5.492 12.314 1.00 63.20 N ATOM 1277 CZ ARG B 120 10.320 5.280 13.534 1.00 71.40 C ATOM 1278 NH1 ARG B 120 9.378 4.365 13.730 1.00 21.10 N ATOM 1279 NH2 ARG B 120 10.775 5.984 14.561 1.00 71.40 N ATOM 0 H ARG B 120 8.050 2.708 8.692 1.00 14.00 H new ATOM 0 HA ARG B 120 6.622 5.045 9.572 1.00 43.40 H new ATOM 0 HB2 ARG B 120 9.432 4.301 8.818 1.00 40.20 H new ATOM 0 HB3 ARG B 120 9.002 5.999 8.782 1.00 40.20 H new ATOM 0 HG2 ARG B 120 8.713 6.130 11.077 1.00 60.10 H new ATOM 0 HG3 ARG B 120 8.248 4.447 11.232 1.00 60.10 H new ATOM 0 HD2 ARG B 120 10.436 3.693 11.310 1.00 63.40 H new ATOM 0 HD3 ARG B 120 11.040 4.988 10.295 1.00 63.40 H new ATOM 0 HE ARG B 120 11.530 6.203 12.203 1.00 63.20 H new ATOM 0 HH11 ARG B 120 9.025 3.820 12.943 1.00 21.10 H new ATOM 0 HH12 ARG B 120 9.008 4.207 14.667 1.00 21.10 H new ATOM 0 HH21 ARG B 120 11.499 6.688 14.416 1.00 71.40 H new ATOM 0 HH22 ARG B 120 10.401 5.822 15.496 1.00 71.40 H new ATOM 1293 N ARG B 121 7.374 4.659 6.397 1.00 2.24 N ATOM 1294 CA ARG B 121 7.109 5.168 5.056 1.00 42.40 C ATOM 1295 C ARG B 121 5.609 5.233 4.785 1.00 22.20 C ATOM 1296 O ARG B 121 5.133 6.129 4.088 1.00 0.35 O ATOM 1297 CB ARG B 121 7.790 4.286 4.009 1.00 41.20 C ATOM 1298 CG ARG B 121 9.308 4.327 4.073 1.00 13.00 C ATOM 1299 CD ARG B 121 9.925 3.064 3.493 1.00 73.20 C ATOM 1300 NE ARG B 121 11.168 3.341 2.777 1.00 41.20 N ATOM 1301 CZ ARG B 121 11.717 2.508 1.896 1.00 53.10 C ATOM 1302 NH1 ARG B 121 11.137 1.347 1.619 1.00 63.40 N ATOM 1303 NH2 ARG B 121 12.849 2.838 1.289 1.00 63.50 N ATOM 0 H ARG B 121 7.883 3.775 6.420 1.00 2.24 H new ATOM 0 HA ARG B 121 7.516 6.177 4.991 1.00 42.40 H new ATOM 0 HB2 ARG B 121 7.457 3.257 4.141 1.00 41.20 H new ATOM 0 HB3 ARG B 121 7.468 4.600 3.016 1.00 41.20 H new ATOM 0 HG2 ARG B 121 9.673 5.196 3.525 1.00 13.00 H new ATOM 0 HG3 ARG B 121 9.626 4.446 5.109 1.00 13.00 H new ATOM 0 HD2 ARG B 121 10.120 2.354 4.297 1.00 73.20 H new ATOM 0 HD3 ARG B 121 9.214 2.591 2.815 1.00 73.20 H new ATOM 0 HE ARG B 121 11.643 4.224 2.963 1.00 41.20 H new ATOM 0 HH11 ARG B 121 10.266 1.089 2.082 1.00 63.40 H new ATOM 0 HH12 ARG B 121 11.563 0.713 0.943 1.00 63.40 H new ATOM 0 HH21 ARG B 121 13.298 3.730 1.497 1.00 63.50 H new ATOM 0 HH22 ARG B 121 13.270 2.200 0.614 1.00 63.50 H new ATOM 1317 N LEU B 122 4.871 4.278 5.341 1.00 53.20 N ATOM 1318 CA LEU B 122 3.425 4.227 5.160 1.00 52.50 C ATOM 1319 C LEU B 122 2.737 5.331 5.957 1.00 24.10 C ATOM 1320 O LEU B 122 1.799 5.966 5.475 1.00 51.10 O ATOM 1321 CB LEU B 122 2.884 2.861 5.587 1.00 53.10 C ATOM 1322 CG LEU B 122 1.698 2.350 4.769 1.00 14.10 C ATOM 1323 CD1 LEU B 122 1.291 0.959 5.231 1.00 33.50 C ATOM 1324 CD2 LEU B 122 0.525 3.313 4.874 1.00 34.20 C ATOM 0 H LEU B 122 5.250 3.529 5.920 1.00 53.20 H new ATOM 0 HA LEU B 122 3.211 4.380 4.102 1.00 52.50 H new ATOM 0 HB2 LEU B 122 3.691 2.131 5.523 1.00 53.10 H new ATOM 0 HB3 LEU B 122 2.587 2.916 6.634 1.00 53.10 H new ATOM 0 HG LEU B 122 2.001 2.289 3.724 1.00 14.10 H new ATOM 0 HD11 LEU B 122 0.445 0.611 4.638 1.00 33.50 H new ATOM 0 HD12 LEU B 122 2.129 0.274 5.104 1.00 33.50 H new ATOM 0 HD13 LEU B 122 1.006 0.994 6.283 1.00 33.50 H new ATOM 0 HD21 LEU B 122 -0.311 2.934 4.286 1.00 34.20 H new ATOM 0 HD22 LEU B 122 0.222 3.405 5.917 1.00 34.20 H new ATOM 0 HD23 LEU B 122 0.822 4.291 4.495 1.00 34.20 H new ATOM 1336 N ALA B 123 3.210 5.554 7.179 1.00 33.40 N ATOM 1337 CA ALA B 123 2.641 6.581 8.043 1.00 61.30 C ATOM 1338 C ALA B 123 2.757 7.961 7.404 1.00 31.40 C ATOM 1339 O ALA B 123 1.884 8.812 7.579 1.00 23.20 O ATOM 1340 CB ALA B 123 3.326 6.566 9.401 1.00 3.21 C ATOM 0 H ALA B 123 3.986 5.037 7.593 1.00 33.40 H new ATOM 0 HA ALA B 123 1.582 6.361 8.180 1.00 61.30 H new ATOM 0 HB1 ALA B 123 2.891 7.338 10.036 1.00 3.21 H new ATOM 0 HB2 ALA B 123 3.187 5.591 9.868 1.00 3.21 H new ATOM 0 HB3 ALA B 123 4.391 6.758 9.273 1.00 3.21 H new ATOM 1346 N ALA B 124 3.840 8.176 6.664 1.00 4.01 N ATOM 1347 CA ALA B 124 4.070 9.453 6.000 1.00 2.34 C ATOM 1348 C ALA B 124 3.361 9.505 4.651 1.00 43.40 C ATOM 1349 O ALA B 124 2.937 10.570 4.202 1.00 2.23 O ATOM 1350 CB ALA B 124 5.561 9.694 5.824 1.00 32.20 C ATOM 0 H ALA B 124 4.572 7.482 6.509 1.00 4.01 H new ATOM 0 HA ALA B 124 3.657 10.242 6.629 1.00 2.34 H new ATOM 0 HB1 ALA B 124 5.719 10.651 5.327 1.00 32.20 H new ATOM 0 HB2 ALA B 124 6.045 9.708 6.801 1.00 32.20 H new ATOM 0 HB3 ALA B 124 5.990 8.896 5.218 1.00 32.20 H new ATOM 1356 N LEU B 125 3.236 8.348 4.009 1.00 65.30 N ATOM 1357 CA LEU B 125 2.578 8.262 2.710 1.00 31.50 C ATOM 1358 C LEU B 125 1.128 8.725 2.803 1.00 32.50 C ATOM 1359 O LEU B 125 0.681 9.559 2.016 1.00 41.20 O ATOM 1360 CB LEU B 125 2.634 6.827 2.181 1.00 33.00 C ATOM 1361 CG LEU B 125 2.079 6.636 0.769 1.00 10.30 C ATOM 1362 CD1 LEU B 125 3.142 6.955 -0.271 1.00 4.31 C ATOM 1363 CD2 LEU B 125 1.563 5.216 0.588 1.00 20.20 C ATOM 0 H LEU B 125 3.581 7.457 4.367 1.00 65.30 H new ATOM 0 HA LEU B 125 3.107 8.918 2.019 1.00 31.50 H new ATOM 0 HB2 LEU B 125 3.671 6.491 2.196 1.00 33.00 H new ATOM 0 HB3 LEU B 125 2.080 6.182 2.863 1.00 33.00 H new ATOM 0 HG LEU B 125 1.246 7.326 0.630 1.00 10.30 H new ATOM 0 HD11 LEU B 125 2.728 6.813 -1.269 1.00 4.31 H new ATOM 0 HD12 LEU B 125 3.465 7.990 -0.156 1.00 4.31 H new ATOM 0 HD13 LEU B 125 3.996 6.291 -0.134 1.00 4.31 H new ATOM 0 HD21 LEU B 125 1.172 5.097 -0.422 1.00 20.20 H new ATOM 0 HD22 LEU B 125 2.378 4.510 0.747 1.00 20.20 H new ATOM 0 HD23 LEU B 125 0.769 5.023 1.310 1.00 20.20 H new