USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 681 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 60 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.605 K(o=-0.6,f=-0.082) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.609 X(o=-0.61,f=-0.63) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.19) USER MOD Single : A 39 HIS : no HD1:sc= -0.0423 X(o=-0.042,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.341 X(o=-0.34,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.042 X(o=-0.042,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 56 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0103) USER MOD Single : A 58 LYS NZ :NH3+ -116:sc=-0.00616 (180deg=-0.633) USER MOD Single : A 59 GLN : amide:sc= -1.46 X(o=-1.5,f=-1) USER MOD Single : A 65 CYS SG : rot 84:sc= -3.69! USER MOD Single : A 66 THR OG1 : rot 70:sc= -0.278 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0413) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -155:sc= -0.139 (180deg=-0.64) USER MOD Single : A 81 ASN : amide:sc= -1.65 K(o=-1.7,f=-7.6!) USER MOD Single : B 122 GLN : amide:sc= -0.736 K(o=-0.74,f=-0.16) USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -11.906 -8.632 2.621 1.00 53.10 N ATOM 2 CA ASN A 10 -10.644 -7.923 2.771 1.00 53.40 C ATOM 3 C ASN A 10 -10.090 -7.501 1.414 1.00 74.30 C ATOM 4 O ASN A 10 -9.429 -6.469 1.296 1.00 74.30 O ATOM 5 CB ASN A 10 -9.626 -8.801 3.501 1.00 54.30 C ATOM 6 CG ASN A 10 -9.679 -8.620 5.005 1.00 53.10 C ATOM 7 OD1 ASN A 10 -10.632 -9.042 5.660 1.00 12.30 O ATOM 8 ND2 ASN A 10 -8.651 -7.989 5.561 1.00 63.00 N ATOM 0 HA ASN A 10 -10.829 -7.025 3.361 1.00 53.40 H new ATOM 0 HB2 ASN A 10 -9.812 -9.847 3.257 1.00 54.30 H new ATOM 0 HB3 ASN A 10 -8.624 -8.563 3.144 1.00 54.30 H new ATOM 0 HD21 ASN A 10 -8.630 -7.838 6.569 1.00 63.00 H new ATOM 0 HD22 ASN A 10 -7.882 -7.656 4.980 1.00 63.00 H new ATOM 15 N LEU A 11 -10.356 -8.304 0.398 1.00 54.40 N ATOM 16 CA LEU A 11 -9.884 -8.014 -0.952 1.00 21.40 C ATOM 17 C LEU A 11 -10.542 -6.750 -1.499 1.00 23.30 C ATOM 18 O LEU A 11 -9.866 -5.869 -2.029 1.00 44.10 O ATOM 19 CB LEU A 11 -10.182 -9.197 -1.885 1.00 74.10 C ATOM 20 CG LEU A 11 -9.084 -10.260 -1.945 1.00 74.40 C ATOM 21 CD1 LEU A 11 -9.489 -11.400 -2.857 1.00 40.50 C ATOM 22 CD2 LEU A 11 -7.773 -9.645 -2.412 1.00 30.00 C ATOM 0 H LEU A 11 -10.897 -9.165 0.479 1.00 54.40 H new ATOM 0 HA LEU A 11 -8.807 -7.854 -0.906 1.00 21.40 H new ATOM 0 HB2 LEU A 11 -11.109 -9.671 -1.563 1.00 74.10 H new ATOM 0 HB3 LEU A 11 -10.352 -8.814 -2.891 1.00 74.10 H new ATOM 0 HG LEU A 11 -8.941 -10.660 -0.941 1.00 74.40 H new ATOM 0 HD11 LEU A 11 -8.693 -12.144 -2.885 1.00 40.50 H new ATOM 0 HD12 LEU A 11 -10.403 -11.860 -2.481 1.00 40.50 H new ATOM 0 HD13 LEU A 11 -9.663 -11.017 -3.863 1.00 40.50 H new ATOM 0 HD21 LEU A 11 -7.003 -10.415 -2.449 1.00 30.00 H new ATOM 0 HD22 LEU A 11 -7.906 -9.216 -3.405 1.00 30.00 H new ATOM 0 HD23 LEU A 11 -7.470 -8.862 -1.717 1.00 30.00 H new ATOM 34 N GLN A 12 -11.859 -6.666 -1.362 1.00 52.40 N ATOM 35 CA GLN A 12 -12.608 -5.509 -1.842 1.00 34.00 C ATOM 36 C GLN A 12 -12.076 -4.221 -1.227 1.00 4.04 C ATOM 37 O GLN A 12 -12.135 -3.158 -1.847 1.00 75.10 O ATOM 38 CB GLN A 12 -14.095 -5.666 -1.517 1.00 3.03 C ATOM 39 CG GLN A 12 -14.885 -6.371 -2.606 1.00 53.20 C ATOM 40 CD GLN A 12 -14.358 -7.763 -2.903 1.00 53.10 C ATOM 41 OE1 GLN A 12 -14.874 -8.756 -2.394 1.00 32.00 O ATOM 42 NE2 GLN A 12 -13.319 -7.837 -3.728 1.00 71.20 N ATOM 0 H GLN A 12 -12.432 -7.386 -0.922 1.00 52.40 H new ATOM 0 HA GLN A 12 -12.483 -5.452 -2.923 1.00 34.00 H new ATOM 0 HB2 GLN A 12 -14.198 -6.224 -0.586 1.00 3.03 H new ATOM 0 HB3 GLN A 12 -14.527 -4.680 -1.347 1.00 3.03 H new ATOM 0 HG2 GLN A 12 -15.930 -6.439 -2.305 1.00 53.20 H new ATOM 0 HG3 GLN A 12 -14.854 -5.773 -3.517 1.00 53.20 H new ATOM 0 HE21 GLN A 12 -12.923 -6.986 -4.127 1.00 71.20 H new ATOM 0 HE22 GLN A 12 -12.917 -8.745 -3.962 1.00 71.20 H new ATOM 51 N LYS A 13 -11.558 -4.323 -0.008 1.00 12.10 N ATOM 52 CA LYS A 13 -11.017 -3.167 0.688 1.00 13.30 C ATOM 53 C LYS A 13 -9.651 -2.786 0.126 1.00 35.30 C ATOM 54 O LYS A 13 -9.278 -1.614 0.116 1.00 14.20 O ATOM 55 CB LYS A 13 -10.902 -3.456 2.186 1.00 43.10 C ATOM 56 CG LYS A 13 -12.143 -3.074 2.977 1.00 42.00 C ATOM 57 CD LYS A 13 -13.252 -4.086 2.794 1.00 74.50 C ATOM 58 CE LYS A 13 -13.311 -5.075 3.944 1.00 74.20 C ATOM 59 NZ LYS A 13 -14.687 -5.606 4.156 1.00 11.10 N ATOM 0 H LYS A 13 -11.502 -5.196 0.517 1.00 12.10 H new ATOM 0 HA LYS A 13 -11.699 -2.330 0.538 1.00 13.30 H new ATOM 0 HB2 LYS A 13 -10.703 -4.518 2.328 1.00 43.10 H new ATOM 0 HB3 LYS A 13 -10.045 -2.915 2.587 1.00 43.10 H new ATOM 0 HG2 LYS A 13 -11.891 -2.996 4.035 1.00 42.00 H new ATOM 0 HG3 LYS A 13 -12.490 -2.091 2.659 1.00 42.00 H new ATOM 0 HD2 LYS A 13 -14.207 -3.567 2.712 1.00 74.50 H new ATOM 0 HD3 LYS A 13 -13.101 -4.625 1.859 1.00 74.50 H new ATOM 0 HE2 LYS A 13 -12.630 -5.903 3.745 1.00 74.20 H new ATOM 0 HE3 LYS A 13 -12.965 -4.590 4.857 1.00 74.20 H new ATOM 0 HZ1 LYS A 13 -14.681 -6.277 4.950 1.00 11.10 H new ATOM 0 HZ2 LYS A 13 -15.333 -4.820 4.371 1.00 11.10 H new ATOM 0 HZ3 LYS A 13 -15.008 -6.092 3.294 1.00 11.10 H new ATOM 73 N ALA A 14 -8.911 -3.785 -0.343 1.00 11.40 N ATOM 74 CA ALA A 14 -7.587 -3.556 -0.908 1.00 65.10 C ATOM 75 C ALA A 14 -7.661 -2.644 -2.128 1.00 74.30 C ATOM 76 O ALA A 14 -6.926 -1.661 -2.225 1.00 53.20 O ATOM 77 CB ALA A 14 -6.934 -4.879 -1.275 1.00 61.40 C ATOM 0 H ALA A 14 -9.206 -4.761 -0.343 1.00 11.40 H new ATOM 0 HA ALA A 14 -6.978 -3.060 -0.153 1.00 65.10 H new ATOM 0 HB1 ALA A 14 -5.946 -4.693 -1.696 1.00 61.40 H new ATOM 0 HB2 ALA A 14 -6.838 -5.497 -0.382 1.00 61.40 H new ATOM 0 HB3 ALA A 14 -7.550 -5.397 -2.010 1.00 61.40 H new ATOM 83 N ILE A 15 -8.554 -2.975 -3.055 1.00 31.50 N ATOM 84 CA ILE A 15 -8.724 -2.183 -4.268 1.00 13.40 C ATOM 85 C ILE A 15 -9.431 -0.867 -3.966 1.00 44.20 C ATOM 86 O ILE A 15 -9.012 0.195 -4.427 1.00 63.40 O ATOM 87 CB ILE A 15 -9.524 -2.952 -5.336 1.00 15.40 C ATOM 88 CG1 ILE A 15 -8.912 -4.337 -5.556 1.00 31.50 C ATOM 89 CG2 ILE A 15 -9.560 -2.168 -6.638 1.00 2.33 C ATOM 90 CD1 ILE A 15 -9.553 -5.419 -4.714 1.00 64.30 C ATOM 0 H ILE A 15 -9.170 -3.785 -2.990 1.00 31.50 H new ATOM 0 HA ILE A 15 -7.726 -1.977 -4.655 1.00 13.40 H new ATOM 0 HB ILE A 15 -10.548 -3.078 -4.985 1.00 15.40 H new ATOM 0 HG12 ILE A 15 -9.005 -4.604 -6.609 1.00 31.50 H new ATOM 0 HG13 ILE A 15 -7.846 -4.295 -5.330 1.00 31.50 H new ATOM 0 HG21 ILE A 15 -10.129 -2.725 -7.382 1.00 2.33 H new ATOM 0 HG22 ILE A 15 -10.034 -1.201 -6.468 1.00 2.33 H new ATOM 0 HG23 ILE A 15 -8.543 -2.015 -6.999 1.00 2.33 H new ATOM 0 HD11 ILE A 15 -9.071 -6.374 -4.920 1.00 64.30 H new ATOM 0 HD12 ILE A 15 -9.437 -5.175 -3.658 1.00 64.30 H new ATOM 0 HD13 ILE A 15 -10.613 -5.488 -4.956 1.00 64.30 H new ATOM 102 N ASP A 16 -10.501 -0.941 -3.183 1.00 72.40 N ATOM 103 CA ASP A 16 -11.268 0.244 -2.820 1.00 52.40 C ATOM 104 C ASP A 16 -10.389 1.244 -2.078 1.00 51.50 C ATOM 105 O ASP A 16 -10.493 2.453 -2.287 1.00 1.12 O ATOM 106 CB ASP A 16 -12.461 -0.138 -1.948 1.00 23.30 C ATOM 107 CG ASP A 16 -13.674 -0.537 -2.777 1.00 60.50 C ATOM 108 OD1 ASP A 16 -14.452 0.362 -3.154 1.00 45.10 O ATOM 109 OD2 ASP A 16 -13.836 -1.745 -3.045 1.00 63.30 O ATOM 0 H ASP A 16 -10.857 -1.811 -2.787 1.00 72.40 H new ATOM 0 HA ASP A 16 -11.632 0.706 -3.738 1.00 52.40 H new ATOM 0 HB2 ASP A 16 -12.182 -0.965 -1.295 1.00 23.30 H new ATOM 0 HB3 ASP A 16 -12.723 0.702 -1.305 1.00 23.30 H new ATOM 114 N LEU A 17 -9.521 0.730 -1.212 1.00 4.32 N ATOM 115 CA LEU A 17 -8.619 1.575 -0.440 1.00 31.20 C ATOM 116 C LEU A 17 -7.406 1.976 -1.273 1.00 42.30 C ATOM 117 O LEU A 17 -6.849 3.060 -1.096 1.00 1.30 O ATOM 118 CB LEU A 17 -8.165 0.849 0.827 1.00 74.20 C ATOM 119 CG LEU A 17 -9.280 0.533 1.827 1.00 40.20 C ATOM 120 CD1 LEU A 17 -8.868 -0.613 2.739 1.00 42.40 C ATOM 121 CD2 LEU A 17 -9.629 1.767 2.643 1.00 22.30 C ATOM 0 H LEU A 17 -9.424 -0.269 -1.028 1.00 4.32 H new ATOM 0 HA LEU A 17 -9.159 2.479 -0.158 1.00 31.20 H new ATOM 0 HB2 LEU A 17 -7.681 -0.084 0.539 1.00 74.20 H new ATOM 0 HB3 LEU A 17 -7.412 1.458 1.326 1.00 74.20 H new ATOM 0 HG LEU A 17 -10.166 0.228 1.271 1.00 40.20 H new ATOM 0 HD11 LEU A 17 -9.672 -0.824 3.444 1.00 42.40 H new ATOM 0 HD12 LEU A 17 -8.668 -1.501 2.140 1.00 42.40 H new ATOM 0 HD13 LEU A 17 -7.968 -0.336 3.288 1.00 42.40 H new ATOM 0 HD21 LEU A 17 -10.423 1.524 3.349 1.00 22.30 H new ATOM 0 HD22 LEU A 17 -8.748 2.103 3.190 1.00 22.30 H new ATOM 0 HD23 LEU A 17 -9.966 2.561 1.976 1.00 22.30 H new ATOM 133 N ALA A 18 -7.000 1.094 -2.181 1.00 42.40 N ATOM 134 CA ALA A 18 -5.853 1.356 -3.040 1.00 14.00 C ATOM 135 C ALA A 18 -6.189 2.398 -4.102 1.00 1.42 C ATOM 136 O ALA A 18 -5.436 3.350 -4.312 1.00 3.03 O ATOM 137 CB ALA A 18 -5.379 0.067 -3.695 1.00 55.40 C ATOM 0 H ALA A 18 -7.449 0.192 -2.340 1.00 42.40 H new ATOM 0 HA ALA A 18 -5.049 1.753 -2.420 1.00 14.00 H new ATOM 0 HB1 ALA A 18 -4.521 0.278 -4.334 1.00 55.40 H new ATOM 0 HB2 ALA A 18 -5.090 -0.648 -2.924 1.00 55.40 H new ATOM 0 HB3 ALA A 18 -6.185 -0.353 -4.296 1.00 55.40 H new ATOM 143 N SER A 19 -7.323 2.212 -4.769 1.00 10.30 N ATOM 144 CA SER A 19 -7.759 3.136 -5.809 1.00 32.30 C ATOM 145 C SER A 19 -8.041 4.517 -5.225 1.00 62.10 C ATOM 146 O SER A 19 -7.621 5.533 -5.779 1.00 13.30 O ATOM 147 CB SER A 19 -9.011 2.599 -6.505 1.00 32.40 C ATOM 148 OG SER A 19 -9.531 3.549 -7.417 1.00 72.40 O ATOM 0 H SER A 19 -7.957 1.429 -4.608 1.00 10.30 H new ATOM 0 HA SER A 19 -6.956 3.227 -6.540 1.00 32.30 H new ATOM 0 HB2 SER A 19 -8.770 1.676 -7.033 1.00 32.40 H new ATOM 0 HB3 SER A 19 -9.768 2.352 -5.760 1.00 32.40 H new ATOM 0 HG SER A 19 -10.330 3.183 -7.851 1.00 72.40 H new ATOM 154 N LYS A 20 -8.753 4.546 -4.103 1.00 2.44 N ATOM 155 CA LYS A 20 -9.090 5.802 -3.445 1.00 70.10 C ATOM 156 C LYS A 20 -7.830 6.550 -3.023 1.00 21.30 C ATOM 157 O LYS A 20 -7.782 7.780 -3.066 1.00 64.10 O ATOM 158 CB LYS A 20 -9.975 5.542 -2.224 1.00 54.30 C ATOM 159 CG LYS A 20 -10.861 6.719 -1.852 1.00 22.30 C ATOM 160 CD LYS A 20 -11.048 6.821 -0.348 1.00 32.20 C ATOM 161 CE LYS A 20 -12.350 7.524 0.004 1.00 52.30 C ATOM 162 NZ LYS A 20 -13.519 6.608 -0.088 1.00 32.40 N ATOM 0 H LYS A 20 -9.107 3.714 -3.631 1.00 2.44 H new ATOM 0 HA LYS A 20 -9.637 6.420 -4.157 1.00 70.10 H new ATOM 0 HB2 LYS A 20 -10.603 4.673 -2.420 1.00 54.30 H new ATOM 0 HB3 LYS A 20 -9.341 5.292 -1.373 1.00 54.30 H new ATOM 0 HG2 LYS A 20 -10.419 7.642 -2.228 1.00 22.30 H new ATOM 0 HG3 LYS A 20 -11.833 6.611 -2.334 1.00 22.30 H new ATOM 0 HD2 LYS A 20 -11.042 5.823 0.089 1.00 32.20 H new ATOM 0 HD3 LYS A 20 -10.210 7.365 0.088 1.00 32.20 H new ATOM 0 HE2 LYS A 20 -12.283 7.927 1.015 1.00 52.30 H new ATOM 0 HE3 LYS A 20 -12.498 8.370 -0.667 1.00 52.30 H new ATOM 0 HZ1 LYS A 20 -14.386 7.126 0.160 1.00 32.40 H new ATOM 0 HZ2 LYS A 20 -13.599 6.243 -1.059 1.00 32.40 H new ATOM 0 HZ3 LYS A 20 -13.390 5.814 0.571 1.00 32.40 H new ATOM 176 N ALA A 21 -6.810 5.801 -2.616 1.00 33.30 N ATOM 177 CA ALA A 21 -5.550 6.393 -2.186 1.00 3.34 C ATOM 178 C ALA A 21 -4.919 7.212 -3.307 1.00 74.40 C ATOM 179 O ALA A 21 -4.491 8.346 -3.095 1.00 13.40 O ATOM 180 CB ALA A 21 -4.590 5.308 -1.718 1.00 75.40 C ATOM 0 H ALA A 21 -6.832 4.782 -2.575 1.00 33.30 H new ATOM 0 HA ALA A 21 -5.757 7.064 -1.352 1.00 3.34 H new ATOM 0 HB1 ALA A 21 -3.653 5.764 -1.400 1.00 75.40 H new ATOM 0 HB2 ALA A 21 -5.033 4.767 -0.882 1.00 75.40 H new ATOM 0 HB3 ALA A 21 -4.397 4.615 -2.537 1.00 75.40 H new ATOM 186 N ALA A 22 -4.864 6.629 -4.500 1.00 60.30 N ATOM 187 CA ALA A 22 -4.285 7.305 -5.655 1.00 55.40 C ATOM 188 C ALA A 22 -5.122 8.516 -6.057 1.00 33.50 C ATOM 189 O ALA A 22 -4.594 9.504 -6.568 1.00 31.30 O ATOM 190 CB ALA A 22 -4.157 6.339 -6.822 1.00 14.50 C ATOM 0 H ALA A 22 -5.213 5.690 -4.692 1.00 60.30 H new ATOM 0 HA ALA A 22 -3.291 7.657 -5.379 1.00 55.40 H new ATOM 0 HB1 ALA A 22 -3.723 6.857 -7.677 1.00 14.50 H new ATOM 0 HB2 ALA A 22 -3.513 5.507 -6.537 1.00 14.50 H new ATOM 0 HB3 ALA A 22 -5.143 5.959 -7.090 1.00 14.50 H new ATOM 196 N GLN A 23 -6.427 8.431 -5.824 1.00 74.00 N ATOM 197 CA GLN A 23 -7.335 9.520 -6.162 1.00 11.00 C ATOM 198 C GLN A 23 -7.042 10.756 -5.318 1.00 42.20 C ATOM 199 O GLN A 23 -7.230 11.886 -5.768 1.00 4.33 O ATOM 200 CB GLN A 23 -8.788 9.084 -5.959 1.00 25.10 C ATOM 201 CG GLN A 23 -9.762 9.743 -6.922 1.00 3.40 C ATOM 202 CD GLN A 23 -10.546 10.868 -6.276 1.00 55.40 C ATOM 203 OE1 GLN A 23 -11.732 10.725 -5.981 1.00 54.20 O ATOM 204 NE2 GLN A 23 -9.884 11.998 -6.054 1.00 70.40 N ATOM 0 H GLN A 23 -6.879 7.620 -5.403 1.00 74.00 H new ATOM 0 HA GLN A 23 -7.182 9.773 -7.211 1.00 11.00 H new ATOM 0 HB2 GLN A 23 -8.853 8.002 -6.074 1.00 25.10 H new ATOM 0 HB3 GLN A 23 -9.088 9.315 -4.937 1.00 25.10 H new ATOM 0 HG2 GLN A 23 -9.213 10.133 -7.779 1.00 3.40 H new ATOM 0 HG3 GLN A 23 -10.455 8.993 -7.302 1.00 3.40 H new ATOM 0 HE21 GLN A 23 -8.901 12.073 -6.315 1.00 70.40 H new ATOM 0 HE22 GLN A 23 -10.359 12.791 -5.623 1.00 70.40 H new ATOM 213 N GLU A 24 -6.579 10.533 -4.092 1.00 33.10 N ATOM 214 CA GLU A 24 -6.259 11.629 -3.185 1.00 51.10 C ATOM 215 C GLU A 24 -4.931 12.276 -3.561 1.00 13.20 C ATOM 216 O GLU A 24 -4.770 13.492 -3.458 1.00 13.40 O ATOM 217 CB GLU A 24 -6.204 11.124 -1.742 1.00 24.40 C ATOM 218 CG GLU A 24 -7.566 11.047 -1.072 1.00 15.20 C ATOM 219 CD GLU A 24 -8.566 10.239 -1.874 1.00 13.10 C ATOM 220 OE1 GLU A 24 -8.924 10.675 -2.989 1.00 61.20 O ATOM 221 OE2 GLU A 24 -8.992 9.169 -1.389 1.00 31.20 O ATOM 0 H GLU A 24 -6.417 9.604 -3.704 1.00 33.10 H new ATOM 0 HA GLU A 24 -7.045 12.380 -3.270 1.00 51.10 H new ATOM 0 HB2 GLU A 24 -5.746 10.135 -1.729 1.00 24.40 H new ATOM 0 HB3 GLU A 24 -5.559 11.782 -1.160 1.00 24.40 H new ATOM 0 HG2 GLU A 24 -7.455 10.603 -0.083 1.00 15.20 H new ATOM 0 HG3 GLU A 24 -7.953 12.056 -0.927 1.00 15.20 H new ATOM 228 N ASP A 25 -3.981 11.455 -3.999 1.00 50.40 N ATOM 229 CA ASP A 25 -2.666 11.948 -4.391 1.00 60.40 C ATOM 230 C ASP A 25 -2.779 12.950 -5.535 1.00 4.43 C ATOM 231 O ASP A 25 -2.161 14.014 -5.505 1.00 4.22 O ATOM 232 CB ASP A 25 -1.764 10.783 -4.804 1.00 10.40 C ATOM 233 CG ASP A 25 -0.343 11.226 -5.090 1.00 35.10 C ATOM 234 OD1 ASP A 25 0.286 11.821 -4.190 1.00 1.10 O ATOM 235 OD2 ASP A 25 0.142 10.979 -6.214 1.00 71.50 O ATOM 0 H ASP A 25 -4.098 10.446 -4.091 1.00 50.40 H new ATOM 0 HA ASP A 25 -2.224 12.454 -3.532 1.00 60.40 H new ATOM 0 HB2 ASP A 25 -1.756 10.035 -4.012 1.00 10.40 H new ATOM 0 HB3 ASP A 25 -2.178 10.303 -5.691 1.00 10.40 H new ATOM 240 N LYS A 26 -3.574 12.603 -6.542 1.00 1.32 N ATOM 241 CA LYS A 26 -3.769 13.471 -7.697 1.00 65.00 C ATOM 242 C LYS A 26 -4.792 14.561 -7.391 1.00 74.10 C ATOM 243 O LYS A 26 -4.711 15.669 -7.918 1.00 33.20 O ATOM 244 CB LYS A 26 -4.224 12.654 -8.906 1.00 52.00 C ATOM 245 CG LYS A 26 -3.657 13.151 -10.226 1.00 5.24 C ATOM 246 CD LYS A 26 -4.623 14.091 -10.928 1.00 65.30 C ATOM 247 CE LYS A 26 -3.971 14.767 -12.123 1.00 60.00 C ATOM 248 NZ LYS A 26 -4.923 14.929 -13.256 1.00 51.10 N ATOM 0 H LYS A 26 -4.094 11.726 -6.581 1.00 1.32 H new ATOM 0 HA LYS A 26 -2.815 13.946 -7.928 1.00 65.00 H new ATOM 0 HB2 LYS A 26 -3.930 11.614 -8.763 1.00 52.00 H new ATOM 0 HB3 LYS A 26 -5.313 12.673 -8.958 1.00 52.00 H new ATOM 0 HG2 LYS A 26 -2.713 13.665 -10.047 1.00 5.24 H new ATOM 0 HG3 LYS A 26 -3.440 12.301 -10.873 1.00 5.24 H new ATOM 0 HD2 LYS A 26 -5.500 13.534 -11.257 1.00 65.30 H new ATOM 0 HD3 LYS A 26 -4.971 14.848 -10.225 1.00 65.30 H new ATOM 0 HE2 LYS A 26 -3.592 15.744 -11.825 1.00 60.00 H new ATOM 0 HE3 LYS A 26 -3.114 14.178 -12.450 1.00 60.00 H new ATOM 0 HZ1 LYS A 26 -4.440 15.394 -14.051 1.00 51.10 H new ATOM 0 HZ2 LYS A 26 -5.266 13.995 -13.558 1.00 51.10 H new ATOM 0 HZ3 LYS A 26 -5.729 15.512 -12.952 1.00 51.10 H new ATOM 262 N ALA A 27 -5.756 14.237 -6.534 1.00 63.30 N ATOM 263 CA ALA A 27 -6.795 15.187 -6.157 1.00 44.40 C ATOM 264 C ALA A 27 -6.197 16.409 -5.469 1.00 12.10 C ATOM 265 O ALA A 27 -6.295 17.529 -5.973 1.00 61.30 O ATOM 266 CB ALA A 27 -7.819 14.519 -5.253 1.00 70.10 C ATOM 0 H ALA A 27 -5.838 13.323 -6.088 1.00 63.30 H new ATOM 0 HA ALA A 27 -7.294 15.522 -7.067 1.00 44.40 H new ATOM 0 HB1 ALA A 27 -8.589 15.241 -4.980 1.00 70.10 H new ATOM 0 HB2 ALA A 27 -8.277 13.681 -5.779 1.00 70.10 H new ATOM 0 HB3 ALA A 27 -7.326 14.155 -4.351 1.00 70.10 H new ATOM 272 N GLY A 28 -5.578 16.189 -4.313 1.00 53.30 N ATOM 273 CA GLY A 28 -4.974 17.283 -3.576 1.00 13.30 C ATOM 274 C GLY A 28 -4.655 16.911 -2.140 1.00 22.20 C ATOM 275 O GLY A 28 -3.716 17.441 -1.549 1.00 21.40 O ATOM 0 H GLY A 28 -5.484 15.273 -3.874 1.00 53.30 H new ATOM 0 HA2 GLY A 28 -4.058 17.594 -4.079 1.00 13.30 H new ATOM 0 HA3 GLY A 28 -5.649 18.139 -3.585 1.00 13.30 H new ATOM 279 N ASN A 29 -5.441 15.998 -1.579 1.00 52.10 N ATOM 280 CA ASN A 29 -5.237 15.558 -0.203 1.00 11.30 C ATOM 281 C ASN A 29 -4.078 14.570 -0.114 1.00 61.50 C ATOM 282 O ASN A 29 -4.271 13.358 -0.224 1.00 72.40 O ATOM 283 CB ASN A 29 -6.513 14.915 0.342 1.00 63.30 C ATOM 284 CG ASN A 29 -7.706 15.848 0.272 1.00 1.40 C ATOM 285 OD1 ASN A 29 -7.726 16.898 0.915 1.00 62.10 O ATOM 286 ND2 ASN A 29 -8.709 15.469 -0.511 1.00 14.20 N ATOM 0 H ASN A 29 -6.224 15.549 -2.055 1.00 52.10 H new ATOM 0 HA ASN A 29 -4.992 16.433 0.400 1.00 11.30 H new ATOM 0 HB2 ASN A 29 -6.730 14.009 -0.224 1.00 63.30 H new ATOM 0 HB3 ASN A 29 -6.351 14.614 1.377 1.00 63.30 H new ATOM 0 HD21 ASN A 29 -9.538 16.056 -0.598 1.00 14.20 H new ATOM 0 HD22 ASN A 29 -8.650 14.591 -1.026 1.00 14.20 H new ATOM 293 N TYR A 30 -2.874 15.095 0.086 1.00 34.20 N ATOM 294 CA TYR A 30 -1.683 14.260 0.192 1.00 12.30 C ATOM 295 C TYR A 30 -1.732 13.398 1.449 1.00 2.41 C ATOM 296 O TYR A 30 -1.591 12.177 1.382 1.00 71.30 O ATOM 297 CB TYR A 30 -0.425 15.129 0.204 1.00 51.40 C ATOM 298 CG TYR A 30 -0.271 15.989 -1.029 1.00 22.00 C ATOM 299 CD1 TYR A 30 -0.523 15.473 -2.294 1.00 42.40 C ATOM 300 CD2 TYR A 30 0.128 17.315 -0.929 1.00 64.30 C ATOM 301 CE1 TYR A 30 -0.384 16.256 -3.425 1.00 54.40 C ATOM 302 CE2 TYR A 30 0.269 18.105 -2.054 1.00 24.30 C ATOM 303 CZ TYR A 30 0.013 17.570 -3.299 1.00 22.40 C ATOM 304 OH TYR A 30 0.152 18.353 -4.423 1.00 72.50 O ATOM 0 H TYR A 30 -2.697 16.095 0.178 1.00 34.20 H new ATOM 0 HA TYR A 30 -1.653 13.602 -0.676 1.00 12.30 H new ATOM 0 HB2 TYR A 30 -0.446 15.771 1.084 1.00 51.40 H new ATOM 0 HB3 TYR A 30 0.450 14.486 0.299 1.00 51.40 H new ATOM 0 HD1 TYR A 30 -0.833 14.443 -2.396 1.00 42.40 H new ATOM 0 HD2 TYR A 30 0.332 17.736 0.044 1.00 64.30 H new ATOM 0 HE1 TYR A 30 -0.585 15.841 -4.401 1.00 54.40 H new ATOM 0 HE2 TYR A 30 0.578 19.135 -1.959 1.00 24.30 H new ATOM 0 HH TYR A 30 0.437 19.253 -4.161 1.00 72.50 H new ATOM 314 N GLU A 31 -1.936 14.042 2.593 1.00 31.40 N ATOM 315 CA GLU A 31 -2.006 13.334 3.867 1.00 71.30 C ATOM 316 C GLU A 31 -3.108 12.280 3.843 1.00 44.40 C ATOM 317 O GLU A 31 -3.005 11.245 4.499 1.00 71.40 O ATOM 318 CB GLU A 31 -2.252 14.322 5.008 1.00 24.40 C ATOM 319 CG GLU A 31 -1.520 13.964 6.291 1.00 63.40 C ATOM 320 CD GLU A 31 -2.352 14.229 7.532 1.00 4.04 C ATOM 321 OE1 GLU A 31 -2.979 15.307 7.606 1.00 63.20 O ATOM 322 OE2 GLU A 31 -2.377 13.360 8.427 1.00 53.40 O ATOM 0 H GLU A 31 -2.056 15.052 2.665 1.00 31.40 H new ATOM 0 HA GLU A 31 -1.052 12.832 4.030 1.00 71.30 H new ATOM 0 HB2 GLU A 31 -1.943 15.317 4.689 1.00 24.40 H new ATOM 0 HB3 GLU A 31 -3.322 14.370 5.211 1.00 24.40 H new ATOM 0 HG2 GLU A 31 -1.241 12.911 6.264 1.00 63.40 H new ATOM 0 HG3 GLU A 31 -0.595 14.538 6.349 1.00 63.40 H new ATOM 329 N GLU A 32 -4.161 12.552 3.078 1.00 33.10 N ATOM 330 CA GLU A 32 -5.282 11.627 2.964 1.00 43.40 C ATOM 331 C GLU A 32 -4.895 10.405 2.139 1.00 64.20 C ATOM 332 O GLU A 32 -5.327 9.289 2.424 1.00 52.50 O ATOM 333 CB GLU A 32 -6.484 12.328 2.327 1.00 54.30 C ATOM 334 CG GLU A 32 -7.719 11.448 2.224 1.00 4.45 C ATOM 335 CD GLU A 32 -8.505 11.392 3.519 1.00 44.30 C ATOM 336 OE1 GLU A 32 -9.070 12.434 3.915 1.00 75.30 O ATOM 337 OE2 GLU A 32 -8.556 10.309 4.137 1.00 73.40 O ATOM 0 H GLU A 32 -4.261 13.405 2.528 1.00 33.10 H new ATOM 0 HA GLU A 32 -5.553 11.295 3.966 1.00 43.40 H new ATOM 0 HB2 GLU A 32 -6.728 13.215 2.912 1.00 54.30 H new ATOM 0 HB3 GLU A 32 -6.208 12.670 1.330 1.00 54.30 H new ATOM 0 HG2 GLU A 32 -8.363 11.824 1.429 1.00 4.45 H new ATOM 0 HG3 GLU A 32 -7.419 10.439 1.942 1.00 4.45 H new ATOM 344 N ALA A 33 -4.076 10.626 1.116 1.00 24.10 N ATOM 345 CA ALA A 33 -3.627 9.543 0.248 1.00 14.40 C ATOM 346 C ALA A 33 -2.628 8.644 0.966 1.00 12.20 C ATOM 347 O ALA A 33 -2.590 7.435 0.738 1.00 21.30 O ATOM 348 CB ALA A 33 -3.013 10.109 -1.024 1.00 14.40 C ATOM 0 H ALA A 33 -3.710 11.545 0.868 1.00 24.10 H new ATOM 0 HA ALA A 33 -4.494 8.938 -0.018 1.00 14.40 H new ATOM 0 HB1 ALA A 33 -2.682 9.291 -1.663 1.00 14.40 H new ATOM 0 HB2 ALA A 33 -3.757 10.705 -1.553 1.00 14.40 H new ATOM 0 HB3 ALA A 33 -2.160 10.737 -0.768 1.00 14.40 H new ATOM 354 N LEU A 34 -1.819 9.242 1.834 1.00 3.04 N ATOM 355 CA LEU A 34 -0.818 8.494 2.588 1.00 3.42 C ATOM 356 C LEU A 34 -1.480 7.482 3.516 1.00 74.50 C ATOM 357 O LEU A 34 -1.093 6.314 3.553 1.00 21.10 O ATOM 358 CB LEU A 34 0.059 9.451 3.398 1.00 54.30 C ATOM 359 CG LEU A 34 1.118 8.774 4.270 1.00 53.30 C ATOM 360 CD1 LEU A 34 2.344 8.422 3.443 1.00 10.30 C ATOM 361 CD2 LEU A 34 1.500 9.674 5.437 1.00 20.20 C ATOM 0 H LEU A 34 -1.836 10.242 2.033 1.00 3.04 H new ATOM 0 HA LEU A 34 -0.193 7.952 1.878 1.00 3.42 H new ATOM 0 HB2 LEU A 34 0.558 10.133 2.710 1.00 54.30 H new ATOM 0 HB3 LEU A 34 -0.584 10.056 4.037 1.00 54.30 H new ATOM 0 HG LEU A 34 0.698 7.851 4.670 1.00 53.30 H new ATOM 0 HD11 LEU A 34 3.087 7.941 4.080 1.00 10.30 H new ATOM 0 HD12 LEU A 34 2.059 7.741 2.641 1.00 10.30 H new ATOM 0 HD13 LEU A 34 2.767 9.331 3.015 1.00 10.30 H new ATOM 0 HD21 LEU A 34 2.254 9.178 6.048 1.00 20.20 H new ATOM 0 HD22 LEU A 34 1.902 10.613 5.056 1.00 20.20 H new ATOM 0 HD23 LEU A 34 0.618 9.877 6.044 1.00 20.20 H new ATOM 373 N GLN A 35 -2.480 7.937 4.264 1.00 55.10 N ATOM 374 CA GLN A 35 -3.197 7.071 5.192 1.00 43.40 C ATOM 375 C GLN A 35 -3.850 5.906 4.455 1.00 31.20 C ATOM 376 O GLN A 35 -3.725 4.752 4.864 1.00 34.00 O ATOM 377 CB GLN A 35 -4.257 7.868 5.953 1.00 15.30 C ATOM 378 CG GLN A 35 -3.694 8.684 7.105 1.00 52.50 C ATOM 379 CD GLN A 35 -4.584 8.648 8.332 1.00 62.20 C ATOM 380 OE1 GLN A 35 -4.414 7.803 9.212 1.00 44.10 O ATOM 381 NE2 GLN A 35 -5.539 9.568 8.398 1.00 2.03 N ATOM 0 H GLN A 35 -2.812 8.901 4.245 1.00 55.10 H new ATOM 0 HA GLN A 35 -2.476 6.669 5.904 1.00 43.40 H new ATOM 0 HB2 GLN A 35 -4.764 8.537 5.258 1.00 15.30 H new ATOM 0 HB3 GLN A 35 -5.009 7.180 6.339 1.00 15.30 H new ATOM 0 HG2 GLN A 35 -2.706 8.305 7.366 1.00 52.50 H new ATOM 0 HG3 GLN A 35 -3.564 9.718 6.784 1.00 52.50 H new ATOM 0 HE21 GLN A 35 -5.644 10.249 7.646 1.00 2.03 H new ATOM 0 HE22 GLN A 35 -6.168 9.594 9.201 1.00 2.03 H new ATOM 390 N LEU A 36 -4.547 6.217 3.367 1.00 42.30 N ATOM 391 CA LEU A 36 -5.221 5.196 2.573 1.00 63.30 C ATOM 392 C LEU A 36 -4.209 4.278 1.896 1.00 24.30 C ATOM 393 O LEU A 36 -4.481 3.099 1.668 1.00 24.40 O ATOM 394 CB LEU A 36 -6.119 5.849 1.520 1.00 14.10 C ATOM 395 CG LEU A 36 -7.072 6.920 2.056 1.00 55.10 C ATOM 396 CD1 LEU A 36 -7.441 7.903 0.956 1.00 22.30 C ATOM 397 CD2 LEU A 36 -8.320 6.275 2.639 1.00 61.00 C ATOM 0 H LEU A 36 -4.660 7.168 3.015 1.00 42.30 H new ATOM 0 HA LEU A 36 -5.836 4.597 3.244 1.00 63.30 H new ATOM 0 HB2 LEU A 36 -5.487 6.297 0.753 1.00 14.10 H new ATOM 0 HB3 LEU A 36 -6.708 5.071 1.033 1.00 14.10 H new ATOM 0 HG LEU A 36 -6.565 7.469 2.850 1.00 55.10 H new ATOM 0 HD11 LEU A 36 -8.119 8.657 1.355 1.00 22.30 H new ATOM 0 HD12 LEU A 36 -6.538 8.387 0.583 1.00 22.30 H new ATOM 0 HD13 LEU A 36 -7.930 7.370 0.141 1.00 22.30 H new ATOM 0 HD21 LEU A 36 -8.988 7.050 3.016 1.00 61.00 H new ATOM 0 HD22 LEU A 36 -8.830 5.702 1.864 1.00 61.00 H new ATOM 0 HD23 LEU A 36 -8.038 5.610 3.455 1.00 61.00 H new ATOM 409 N TYR A 37 -3.040 4.825 1.576 1.00 25.30 N ATOM 410 CA TYR A 37 -1.987 4.055 0.925 1.00 52.40 C ATOM 411 C TYR A 37 -1.574 2.863 1.783 1.00 3.51 C ATOM 412 O TYR A 37 -1.414 1.751 1.282 1.00 72.50 O ATOM 413 CB TYR A 37 -0.773 4.944 0.647 1.00 4.51 C ATOM 414 CG TYR A 37 -0.770 5.552 -0.737 1.00 5.41 C ATOM 415 CD1 TYR A 37 -1.084 4.786 -1.853 1.00 63.40 C ATOM 416 CD2 TYR A 37 -0.454 6.891 -0.928 1.00 52.40 C ATOM 417 CE1 TYR A 37 -1.081 5.338 -3.120 1.00 34.20 C ATOM 418 CE2 TYR A 37 -0.449 7.449 -2.193 1.00 23.30 C ATOM 419 CZ TYR A 37 -0.763 6.669 -3.285 1.00 64.30 C ATOM 420 OH TYR A 37 -0.760 7.222 -4.545 1.00 11.20 O ATOM 0 H TYR A 37 -2.799 5.799 1.757 1.00 25.30 H new ATOM 0 HA TYR A 37 -2.378 3.680 -0.021 1.00 52.40 H new ATOM 0 HB2 TYR A 37 -0.743 5.745 1.386 1.00 4.51 H new ATOM 0 HB3 TYR A 37 0.135 4.355 0.778 1.00 4.51 H new ATOM 0 HD1 TYR A 37 -1.334 3.743 -1.728 1.00 63.40 H new ATOM 0 HD2 TYR A 37 -0.208 7.506 -0.075 1.00 52.40 H new ATOM 0 HE1 TYR A 37 -1.327 4.729 -3.977 1.00 34.20 H new ATOM 0 HE2 TYR A 37 -0.200 8.492 -2.325 1.00 23.30 H new ATOM 0 HH TYR A 37 -0.516 8.169 -4.486 1.00 11.20 H new ATOM 430 N GLN A 38 -1.403 3.105 3.079 1.00 71.40 N ATOM 431 CA GLN A 38 -1.008 2.052 4.007 1.00 73.30 C ATOM 432 C GLN A 38 -2.150 1.066 4.229 1.00 21.10 C ATOM 433 O GLN A 38 -1.940 -0.146 4.260 1.00 3.10 O ATOM 434 CB GLN A 38 -0.575 2.657 5.344 1.00 53.20 C ATOM 435 CG GLN A 38 0.635 3.570 5.234 1.00 30.30 C ATOM 436 CD GLN A 38 0.705 4.584 6.360 1.00 35.10 C ATOM 437 OE1 GLN A 38 0.338 4.292 7.498 1.00 52.00 O ATOM 438 NE2 GLN A 38 1.177 5.785 6.046 1.00 21.40 N ATOM 0 H GLN A 38 -1.532 4.021 3.510 1.00 71.40 H new ATOM 0 HA GLN A 38 -0.167 1.514 3.570 1.00 73.30 H new ATOM 0 HB2 GLN A 38 -1.408 3.220 5.765 1.00 53.20 H new ATOM 0 HB3 GLN A 38 -0.350 1.851 6.042 1.00 53.20 H new ATOM 0 HG2 GLN A 38 1.543 2.966 5.237 1.00 30.30 H new ATOM 0 HG3 GLN A 38 0.604 4.095 4.279 1.00 30.30 H new ATOM 0 HE21 GLN A 38 1.470 5.984 5.089 1.00 21.40 H new ATOM 0 HE22 GLN A 38 1.247 6.509 6.761 1.00 21.40 H new ATOM 447 N HIS A 39 -3.361 1.594 4.383 1.00 53.30 N ATOM 448 CA HIS A 39 -4.536 0.760 4.601 1.00 73.30 C ATOM 449 C HIS A 39 -4.776 -0.166 3.413 1.00 11.20 C ATOM 450 O HIS A 39 -5.155 -1.325 3.583 1.00 51.10 O ATOM 451 CB HIS A 39 -5.770 1.633 4.838 1.00 21.20 C ATOM 452 CG HIS A 39 -5.796 2.277 6.190 1.00 33.50 C ATOM 453 ND1 HIS A 39 -6.964 2.617 6.840 1.00 24.30 N ATOM 454 CD2 HIS A 39 -4.788 2.643 7.018 1.00 52.20 C ATOM 455 CE1 HIS A 39 -6.673 3.166 8.006 1.00 35.00 C ATOM 456 NE2 HIS A 39 -5.360 3.192 8.137 1.00 44.20 N ATOM 0 H HIS A 39 -3.553 2.596 4.361 1.00 53.30 H new ATOM 0 HA HIS A 39 -4.356 0.148 5.485 1.00 73.30 H new ATOM 0 HB2 HIS A 39 -5.808 2.409 4.074 1.00 21.20 H new ATOM 0 HB3 HIS A 39 -6.665 1.023 4.718 1.00 21.20 H new ATOM 0 HD2 HIS A 39 -3.731 2.524 6.832 1.00 52.20 H new ATOM 0 HE1 HIS A 39 -7.388 3.531 8.729 1.00 35.00 H new ATOM 0 HE2 HIS A 39 -4.852 3.561 8.941 1.00 44.20 H new ATOM 465 N ALA A 40 -4.553 0.352 2.210 1.00 75.30 N ATOM 466 CA ALA A 40 -4.744 -0.428 0.994 1.00 15.40 C ATOM 467 C ALA A 40 -3.642 -1.467 0.828 1.00 63.10 C ATOM 468 O ALA A 40 -3.913 -2.660 0.691 1.00 4.13 O ATOM 469 CB ALA A 40 -4.795 0.489 -0.218 1.00 23.10 C ATOM 0 H ALA A 40 -4.240 1.310 2.051 1.00 75.30 H new ATOM 0 HA ALA A 40 -5.694 -0.956 1.077 1.00 15.40 H new ATOM 0 HB1 ALA A 40 -4.938 -0.107 -1.119 1.00 23.10 H new ATOM 0 HB2 ALA A 40 -5.624 1.189 -0.110 1.00 23.10 H new ATOM 0 HB3 ALA A 40 -3.860 1.044 -0.294 1.00 23.10 H new ATOM 475 N VAL A 41 -2.395 -1.007 0.842 1.00 64.10 N ATOM 476 CA VAL A 41 -1.249 -1.896 0.694 1.00 32.00 C ATOM 477 C VAL A 41 -1.221 -2.945 1.801 1.00 13.50 C ATOM 478 O VAL A 41 -0.786 -4.077 1.586 1.00 63.30 O ATOM 479 CB VAL A 41 0.077 -1.110 0.704 1.00 43.40 C ATOM 480 CG1 VAL A 41 0.268 -0.394 2.033 1.00 44.40 C ATOM 481 CG2 VAL A 41 1.251 -2.034 0.413 1.00 41.30 C ATOM 0 H VAL A 41 -2.153 -0.023 0.954 1.00 64.10 H new ATOM 0 HA VAL A 41 -1.356 -2.395 -0.269 1.00 32.00 H new ATOM 0 HB VAL A 41 0.034 -0.357 -0.083 1.00 43.40 H new ATOM 0 HG11 VAL A 41 1.210 0.155 2.019 1.00 44.40 H new ATOM 0 HG12 VAL A 41 -0.555 0.302 2.193 1.00 44.40 H new ATOM 0 HG13 VAL A 41 0.286 -1.125 2.841 1.00 44.40 H new ATOM 0 HG21 VAL A 41 2.177 -1.460 0.425 1.00 41.30 H new ATOM 0 HG22 VAL A 41 1.298 -2.814 1.173 1.00 41.30 H new ATOM 0 HG23 VAL A 41 1.120 -2.491 -0.568 1.00 41.30 H new ATOM 491 N GLN A 42 -1.688 -2.562 2.984 1.00 33.50 N ATOM 492 CA GLN A 42 -1.717 -3.470 4.126 1.00 10.10 C ATOM 493 C GLN A 42 -2.705 -4.607 3.891 1.00 41.50 C ATOM 494 O GLN A 42 -2.443 -5.755 4.252 1.00 35.40 O ATOM 495 CB GLN A 42 -2.088 -2.710 5.400 1.00 11.20 C ATOM 496 CG GLN A 42 -0.918 -1.976 6.033 1.00 4.44 C ATOM 497 CD GLN A 42 -0.338 -2.719 7.221 1.00 33.20 C ATOM 498 OE1 GLN A 42 -0.013 -2.118 8.246 1.00 34.00 O ATOM 499 NE2 GLN A 42 -0.206 -4.033 7.090 1.00 15.30 N ATOM 0 H GLN A 42 -2.052 -1.629 3.178 1.00 33.50 H new ATOM 0 HA GLN A 42 -0.721 -3.897 4.244 1.00 10.10 H new ATOM 0 HB2 GLN A 42 -2.874 -1.992 5.169 1.00 11.20 H new ATOM 0 HB3 GLN A 42 -2.501 -3.412 6.125 1.00 11.20 H new ATOM 0 HG2 GLN A 42 -0.139 -1.829 5.285 1.00 4.44 H new ATOM 0 HG3 GLN A 42 -1.244 -0.986 6.352 1.00 4.44 H new ATOM 0 HE21 GLN A 42 -0.488 -4.490 6.223 1.00 15.30 H new ATOM 0 HE22 GLN A 42 0.178 -4.586 7.856 1.00 15.30 H new ATOM 508 N TYR A 43 -3.842 -4.282 3.286 1.00 55.00 N ATOM 509 CA TYR A 43 -4.871 -5.277 3.004 1.00 42.00 C ATOM 510 C TYR A 43 -4.429 -6.215 1.888 1.00 44.20 C ATOM 511 O TYR A 43 -4.763 -7.400 1.889 1.00 62.40 O ATOM 512 CB TYR A 43 -6.183 -4.591 2.622 1.00 70.20 C ATOM 513 CG TYR A 43 -6.985 -4.110 3.810 1.00 43.30 C ATOM 514 CD1 TYR A 43 -6.371 -3.444 4.863 1.00 55.50 C ATOM 515 CD2 TYR A 43 -8.357 -4.323 3.880 1.00 45.10 C ATOM 516 CE1 TYR A 43 -7.100 -3.003 5.951 1.00 14.30 C ATOM 517 CE2 TYR A 43 -9.092 -3.886 4.964 1.00 55.40 C ATOM 518 CZ TYR A 43 -8.460 -3.226 5.997 1.00 33.20 C ATOM 519 OH TYR A 43 -9.189 -2.789 7.079 1.00 12.10 O ATOM 0 H TYR A 43 -4.075 -3.337 2.981 1.00 55.00 H new ATOM 0 HA TYR A 43 -5.028 -5.866 3.907 1.00 42.00 H new ATOM 0 HB2 TYR A 43 -5.964 -3.742 1.975 1.00 70.20 H new ATOM 0 HB3 TYR A 43 -6.790 -5.286 2.042 1.00 70.20 H new ATOM 0 HD1 TYR A 43 -5.306 -3.268 4.831 1.00 55.50 H new ATOM 0 HD2 TYR A 43 -8.856 -4.839 3.073 1.00 45.10 H new ATOM 0 HE1 TYR A 43 -6.607 -2.486 6.761 1.00 14.30 H new ATOM 0 HE2 TYR A 43 -10.157 -4.060 5.003 1.00 55.40 H new ATOM 0 HH TYR A 43 -10.132 -3.025 6.955 1.00 12.10 H new ATOM 529 N PHE A 44 -3.676 -5.677 0.935 1.00 41.20 N ATOM 530 CA PHE A 44 -3.185 -6.464 -0.189 1.00 33.30 C ATOM 531 C PHE A 44 -2.320 -7.624 0.295 1.00 13.30 C ATOM 532 O PHE A 44 -2.555 -8.778 -0.062 1.00 54.00 O ATOM 533 CB PHE A 44 -2.387 -5.575 -1.143 1.00 30.30 C ATOM 534 CG PHE A 44 -3.149 -5.182 -2.377 1.00 10.30 C ATOM 535 CD1 PHE A 44 -3.849 -6.130 -3.105 1.00 71.00 C ATOM 536 CD2 PHE A 44 -3.163 -3.865 -2.807 1.00 15.10 C ATOM 537 CE1 PHE A 44 -4.551 -5.771 -4.240 1.00 13.00 C ATOM 538 CE2 PHE A 44 -3.863 -3.500 -3.942 1.00 11.50 C ATOM 539 CZ PHE A 44 -4.558 -4.454 -4.659 1.00 3.42 C ATOM 0 H PHE A 44 -3.392 -4.697 0.919 1.00 41.20 H new ATOM 0 HA PHE A 44 -4.043 -6.876 -0.719 1.00 33.30 H new ATOM 0 HB2 PHE A 44 -2.079 -4.673 -0.614 1.00 30.30 H new ATOM 0 HB3 PHE A 44 -1.478 -6.098 -1.439 1.00 30.30 H new ATOM 0 HD1 PHE A 44 -3.846 -7.161 -2.782 1.00 71.00 H new ATOM 0 HD2 PHE A 44 -2.621 -3.115 -2.249 1.00 15.10 H new ATOM 0 HE1 PHE A 44 -5.094 -6.519 -4.799 1.00 13.00 H new ATOM 0 HE2 PHE A 44 -3.866 -2.470 -4.267 1.00 11.50 H new ATOM 0 HZ PHE A 44 -5.106 -4.171 -5.546 1.00 3.42 H new ATOM 549 N LEU A 45 -1.317 -7.307 1.107 1.00 61.30 N ATOM 550 CA LEU A 45 -0.416 -8.323 1.640 1.00 11.40 C ATOM 551 C LEU A 45 -1.155 -9.266 2.584 1.00 42.30 C ATOM 552 O LEU A 45 -0.813 -10.434 2.696 1.00 1.11 O ATOM 553 CB LEU A 45 0.755 -7.663 2.372 1.00 51.50 C ATOM 554 CG LEU A 45 2.073 -8.435 2.313 1.00 72.10 C ATOM 555 CD1 LEU A 45 2.507 -8.640 0.870 1.00 61.00 C ATOM 556 CD2 LEU A 45 3.153 -7.705 3.098 1.00 51.20 C ATOM 0 H LEU A 45 -1.108 -6.356 1.410 1.00 61.30 H new ATOM 0 HA LEU A 45 -0.031 -8.906 0.803 1.00 11.40 H new ATOM 0 HB2 LEU A 45 0.914 -6.670 1.951 1.00 51.50 H new ATOM 0 HB3 LEU A 45 0.479 -7.525 3.417 1.00 51.50 H new ATOM 0 HG LEU A 45 1.920 -9.414 2.767 1.00 72.10 H new ATOM 0 HD11 LEU A 45 3.447 -9.191 0.848 1.00 61.00 H new ATOM 0 HD12 LEU A 45 1.742 -9.205 0.337 1.00 61.00 H new ATOM 0 HD13 LEU A 45 2.643 -7.671 0.390 1.00 61.00 H new ATOM 0 HD21 LEU A 45 4.085 -8.268 3.045 1.00 51.20 H new ATOM 0 HD22 LEU A 45 3.304 -6.713 2.672 1.00 51.20 H new ATOM 0 HD23 LEU A 45 2.845 -7.610 4.139 1.00 51.20 H new ATOM 568 N HIS A 46 -2.170 -8.742 3.262 1.00 43.00 N ATOM 569 CA HIS A 46 -2.958 -9.538 4.198 1.00 72.10 C ATOM 570 C HIS A 46 -3.592 -10.734 3.496 1.00 32.30 C ATOM 571 O HIS A 46 -3.409 -11.875 3.912 1.00 35.10 O ATOM 572 CB HIS A 46 -4.045 -8.675 4.842 1.00 63.40 C ATOM 573 CG HIS A 46 -4.685 -9.314 6.035 1.00 63.30 C ATOM 574 ND1 HIS A 46 -4.428 -8.917 7.331 1.00 53.40 N ATOM 575 CD2 HIS A 46 -5.579 -10.329 6.126 1.00 43.30 C ATOM 576 CE1 HIS A 46 -5.134 -9.660 8.166 1.00 60.30 C ATOM 577 NE2 HIS A 46 -5.841 -10.522 7.459 1.00 52.20 N ATOM 0 H HIS A 46 -2.467 -7.770 3.182 1.00 43.00 H new ATOM 0 HA HIS A 46 -2.289 -9.909 4.975 1.00 72.10 H new ATOM 0 HB2 HIS A 46 -3.611 -7.720 5.140 1.00 63.40 H new ATOM 0 HB3 HIS A 46 -4.813 -8.458 4.100 1.00 63.40 H new ATOM 0 HD2 HIS A 46 -6.006 -10.883 5.303 1.00 43.30 H new ATOM 0 HE1 HIS A 46 -5.133 -9.576 9.243 1.00 60.30 H new ATOM 0 HE2 HIS A 46 -6.479 -11.219 7.842 1.00 52.20 H new ATOM 586 N VAL A 47 -4.338 -10.464 2.430 1.00 61.30 N ATOM 587 CA VAL A 47 -4.999 -11.515 1.671 1.00 55.10 C ATOM 588 C VAL A 47 -3.984 -12.499 1.105 1.00 71.10 C ATOM 589 O VAL A 47 -4.240 -13.704 1.041 1.00 51.10 O ATOM 590 CB VAL A 47 -5.835 -10.942 0.515 1.00 43.20 C ATOM 591 CG1 VAL A 47 -7.062 -10.221 1.050 1.00 52.30 C ATOM 592 CG2 VAL A 47 -4.991 -10.011 -0.343 1.00 23.10 C ATOM 0 H VAL A 47 -4.499 -9.522 2.073 1.00 61.30 H new ATOM 0 HA VAL A 47 -5.663 -12.032 2.364 1.00 55.10 H new ATOM 0 HB VAL A 47 -6.173 -11.768 -0.110 1.00 43.20 H new ATOM 0 HG11 VAL A 47 -7.641 -9.822 0.217 1.00 52.30 H new ATOM 0 HG12 VAL A 47 -7.676 -10.920 1.618 1.00 52.30 H new ATOM 0 HG13 VAL A 47 -6.749 -9.403 1.699 1.00 52.30 H new ATOM 0 HG21 VAL A 47 -5.599 -9.615 -1.156 1.00 23.10 H new ATOM 0 HG22 VAL A 47 -4.622 -9.188 0.268 1.00 23.10 H new ATOM 0 HG23 VAL A 47 -4.147 -10.563 -0.757 1.00 23.10 H new ATOM 602 N VAL A 48 -2.829 -11.984 0.698 1.00 54.30 N ATOM 603 CA VAL A 48 -1.772 -12.827 0.139 1.00 55.30 C ATOM 604 C VAL A 48 -1.281 -13.841 1.161 1.00 52.50 C ATOM 605 O VAL A 48 -0.949 -14.971 0.812 1.00 21.40 O ATOM 606 CB VAL A 48 -0.580 -11.973 -0.343 1.00 75.30 C ATOM 607 CG1 VAL A 48 0.444 -12.848 -1.055 1.00 74.30 C ATOM 608 CG2 VAL A 48 -1.053 -10.853 -1.249 1.00 33.10 C ATOM 0 H VAL A 48 -2.599 -10.991 0.743 1.00 54.30 H new ATOM 0 HA VAL A 48 -2.199 -13.358 -0.712 1.00 55.30 H new ATOM 0 HB VAL A 48 -0.103 -11.523 0.528 1.00 75.30 H new ATOM 0 HG11 VAL A 48 1.279 -12.232 -1.389 1.00 74.30 H new ATOM 0 HG12 VAL A 48 0.809 -13.613 -0.369 1.00 74.30 H new ATOM 0 HG13 VAL A 48 -0.022 -13.326 -1.917 1.00 74.30 H new ATOM 0 HG21 VAL A 48 -0.196 -10.264 -1.577 1.00 33.10 H new ATOM 0 HG22 VAL A 48 -1.556 -11.276 -2.118 1.00 33.10 H new ATOM 0 HG23 VAL A 48 -1.747 -10.213 -0.704 1.00 33.10 H new ATOM 618 N LYS A 49 -1.240 -13.429 2.425 1.00 61.10 N ATOM 619 CA LYS A 49 -0.787 -14.310 3.498 1.00 33.40 C ATOM 620 C LYS A 49 -1.752 -15.474 3.689 1.00 1.31 C ATOM 621 O LYS A 49 -1.331 -16.621 3.849 1.00 52.20 O ATOM 622 CB LYS A 49 -0.652 -13.526 4.805 1.00 1.11 C ATOM 623 CG LYS A 49 0.282 -12.327 4.703 1.00 33.50 C ATOM 624 CD LYS A 49 1.202 -12.236 5.910 1.00 34.10 C ATOM 625 CE LYS A 49 1.409 -10.793 6.344 1.00 23.10 C ATOM 626 NZ LYS A 49 2.684 -10.237 5.815 1.00 53.30 N ATOM 0 H LYS A 49 -1.514 -12.495 2.731 1.00 61.10 H new ATOM 0 HA LYS A 49 0.187 -14.711 3.219 1.00 33.40 H new ATOM 0 HB2 LYS A 49 -1.638 -13.182 5.116 1.00 1.11 H new ATOM 0 HB3 LYS A 49 -0.287 -14.195 5.584 1.00 1.11 H new ATOM 0 HG2 LYS A 49 0.879 -12.405 3.794 1.00 33.50 H new ATOM 0 HG3 LYS A 49 -0.305 -11.412 4.621 1.00 33.50 H new ATOM 0 HD2 LYS A 49 0.779 -12.808 6.736 1.00 34.10 H new ATOM 0 HD3 LYS A 49 2.165 -12.687 5.670 1.00 34.10 H new ATOM 0 HE2 LYS A 49 0.574 -10.185 5.995 1.00 23.10 H new ATOM 0 HE3 LYS A 49 1.411 -10.737 7.433 1.00 23.10 H new ATOM 0 HZ1 LYS A 49 2.791 -9.252 6.131 1.00 53.30 H new ATOM 0 HZ2 LYS A 49 3.482 -10.803 6.168 1.00 53.30 H new ATOM 0 HZ3 LYS A 49 2.671 -10.267 4.776 1.00 53.30 H new ATOM 640 N TYR A 50 -3.046 -15.174 3.671 1.00 11.30 N ATOM 641 CA TYR A 50 -4.070 -16.200 3.842 1.00 53.30 C ATOM 642 C TYR A 50 -4.797 -16.470 2.528 1.00 45.50 C ATOM 643 O TYR A 50 -5.974 -16.829 2.522 1.00 34.10 O ATOM 644 CB TYR A 50 -5.073 -15.774 4.915 1.00 5.11 C ATOM 645 CG TYR A 50 -4.426 -15.221 6.166 1.00 52.40 C ATOM 646 CD1 TYR A 50 -4.042 -16.065 7.202 1.00 61.00 C ATOM 647 CD2 TYR A 50 -4.199 -13.856 6.308 1.00 71.40 C ATOM 648 CE1 TYR A 50 -3.449 -15.565 8.346 1.00 51.30 C ATOM 649 CE2 TYR A 50 -3.608 -13.346 7.448 1.00 20.30 C ATOM 650 CZ TYR A 50 -3.235 -14.207 8.465 1.00 10.30 C ATOM 651 OH TYR A 50 -2.647 -13.699 9.602 1.00 25.30 O ATOM 0 H TYR A 50 -3.411 -14.231 3.540 1.00 11.30 H new ATOM 0 HA TYR A 50 -3.578 -17.120 4.158 1.00 53.30 H new ATOM 0 HB2 TYR A 50 -5.740 -15.020 4.498 1.00 5.11 H new ATOM 0 HB3 TYR A 50 -5.690 -16.631 5.184 1.00 5.11 H new ATOM 0 HD1 TYR A 50 -4.210 -17.128 7.111 1.00 61.00 H new ATOM 0 HD2 TYR A 50 -4.489 -13.184 5.514 1.00 71.40 H new ATOM 0 HE1 TYR A 50 -3.155 -16.233 9.142 1.00 51.30 H new ATOM 0 HE2 TYR A 50 -3.439 -12.284 7.545 1.00 20.30 H new ATOM 0 HH TYR A 50 -2.569 -12.725 9.523 1.00 25.30 H new ATOM 661 N GLU A 51 -4.087 -16.294 1.417 1.00 31.40 N ATOM 662 CA GLU A 51 -4.665 -16.519 0.098 1.00 41.20 C ATOM 663 C GLU A 51 -3.621 -16.314 -0.996 1.00 10.10 C ATOM 664 O GLU A 51 -3.390 -15.187 -1.435 1.00 54.30 O ATOM 665 CB GLU A 51 -5.854 -15.594 -0.127 1.00 65.10 C ATOM 666 CG GLU A 51 -6.982 -16.220 -0.927 1.00 3.22 C ATOM 667 CD GLU A 51 -7.898 -15.194 -1.552 1.00 55.50 C ATOM 668 OE1 GLU A 51 -8.422 -14.341 -0.805 1.00 25.40 O ATOM 669 OE2 GLU A 51 -8.093 -15.238 -2.786 1.00 74.10 O ATOM 0 H GLU A 51 -3.111 -15.996 1.405 1.00 31.40 H new ATOM 0 HA GLU A 51 -5.011 -17.552 0.052 1.00 41.20 H new ATOM 0 HB2 GLU A 51 -6.242 -15.276 0.841 1.00 65.10 H new ATOM 0 HB3 GLU A 51 -5.511 -14.697 -0.643 1.00 65.10 H new ATOM 0 HG2 GLU A 51 -6.560 -16.848 -1.711 1.00 3.22 H new ATOM 0 HG3 GLU A 51 -7.565 -16.871 -0.276 1.00 3.22 H new ATOM 676 N ALA A 52 -2.998 -17.398 -1.430 1.00 62.00 N ATOM 677 CA ALA A 52 -1.980 -17.330 -2.473 1.00 12.30 C ATOM 678 C ALA A 52 -2.266 -18.334 -3.584 1.00 25.00 C ATOM 679 O ALA A 52 -1.640 -19.398 -3.653 1.00 50.40 O ATOM 680 CB ALA A 52 -0.600 -17.576 -1.879 1.00 71.50 C ATOM 0 H ALA A 52 -3.178 -18.338 -1.077 1.00 62.00 H new ATOM 0 HA ALA A 52 -2.004 -16.330 -2.907 1.00 12.30 H new ATOM 0 HB1 ALA A 52 0.150 -17.523 -2.668 1.00 71.50 H new ATOM 0 HB2 ALA A 52 -0.388 -16.818 -1.125 1.00 71.50 H new ATOM 0 HB3 ALA A 52 -0.573 -18.564 -1.419 1.00 71.50 H new ATOM 686 N GLN A 53 -3.205 -17.993 -4.446 1.00 23.30 N ATOM 687 CA GLN A 53 -3.581 -18.866 -5.561 1.00 2.12 C ATOM 688 C GLN A 53 -3.070 -18.306 -6.884 1.00 60.20 C ATOM 689 O GLN A 53 -3.728 -17.477 -7.513 1.00 42.10 O ATOM 690 CB GLN A 53 -5.098 -19.040 -5.616 1.00 72.10 C ATOM 691 CG GLN A 53 -5.539 -20.273 -6.382 1.00 22.40 C ATOM 692 CD GLN A 53 -5.894 -19.974 -7.827 1.00 53.20 C ATOM 693 OE1 GLN A 53 -6.859 -19.252 -8.104 1.00 72.30 O ATOM 694 NE2 GLN A 53 -5.111 -20.509 -8.752 1.00 54.10 N ATOM 0 H GLN A 53 -3.727 -17.118 -4.402 1.00 23.30 H new ATOM 0 HA GLN A 53 -3.121 -19.840 -5.397 1.00 2.12 H new ATOM 0 HB2 GLN A 53 -5.486 -19.096 -4.599 1.00 72.10 H new ATOM 0 HB3 GLN A 53 -5.540 -18.157 -6.078 1.00 72.10 H new ATOM 0 HG2 GLN A 53 -4.742 -21.016 -6.355 1.00 22.40 H new ATOM 0 HG3 GLN A 53 -6.403 -20.714 -5.885 1.00 22.40 H new ATOM 0 HE21 GLN A 53 -4.326 -21.099 -8.477 1.00 54.10 H new ATOM 0 HE22 GLN A 53 -5.293 -20.331 -9.740 1.00 54.10 H new ATOM 703 N GLY A 54 -1.888 -18.764 -7.296 1.00 41.20 N ATOM 704 CA GLY A 54 -1.315 -18.291 -8.546 1.00 14.50 C ATOM 705 C GLY A 54 -0.184 -17.315 -8.332 1.00 34.10 C ATOM 706 O GLY A 54 -0.101 -16.678 -7.284 1.00 73.10 O ATOM 0 H GLY A 54 -1.322 -19.447 -6.792 1.00 41.20 H new ATOM 0 HA2 GLY A 54 -0.951 -19.143 -9.120 1.00 14.50 H new ATOM 0 HA3 GLY A 54 -2.094 -17.814 -9.141 1.00 14.50 H new ATOM 710 N ASP A 55 0.693 -17.199 -9.323 1.00 3.45 N ATOM 711 CA ASP A 55 1.830 -16.292 -9.235 1.00 12.40 C ATOM 712 C ASP A 55 1.457 -14.905 -9.744 1.00 31.10 C ATOM 713 O ASP A 55 1.981 -13.899 -9.270 1.00 23.40 O ATOM 714 CB ASP A 55 3.011 -16.836 -10.037 1.00 54.40 C ATOM 715 CG ASP A 55 2.638 -17.163 -11.469 1.00 3.35 C ATOM 716 OD1 ASP A 55 2.300 -16.233 -12.221 1.00 73.20 O ATOM 717 OD2 ASP A 55 2.687 -18.360 -11.839 1.00 43.10 O ATOM 0 H ASP A 55 0.638 -17.722 -10.197 1.00 3.45 H new ATOM 0 HA ASP A 55 2.117 -16.214 -8.186 1.00 12.40 H new ATOM 0 HB2 ASP A 55 3.817 -16.103 -10.033 1.00 54.40 H new ATOM 0 HB3 ASP A 55 3.394 -17.733 -9.551 1.00 54.40 H new ATOM 722 N LYS A 56 0.547 -14.855 -10.714 1.00 11.20 N ATOM 723 CA LYS A 56 0.105 -13.594 -11.286 1.00 41.40 C ATOM 724 C LYS A 56 -0.527 -12.708 -10.221 1.00 0.21 C ATOM 725 O LYS A 56 -0.253 -11.508 -10.156 1.00 23.10 O ATOM 726 CB LYS A 56 -0.891 -13.845 -12.412 1.00 43.10 C ATOM 727 CG LYS A 56 -0.241 -14.009 -13.777 1.00 33.20 C ATOM 728 CD LYS A 56 0.374 -12.708 -14.258 1.00 12.40 C ATOM 729 CE LYS A 56 0.170 -12.517 -15.751 1.00 54.30 C ATOM 730 NZ LYS A 56 -1.227 -12.140 -16.086 1.00 23.40 N ATOM 0 H LYS A 56 0.102 -15.679 -11.119 1.00 11.20 H new ATOM 0 HA LYS A 56 0.977 -13.080 -11.690 1.00 41.40 H new ATOM 0 HB2 LYS A 56 -1.466 -14.742 -12.183 1.00 43.10 H new ATOM 0 HB3 LYS A 56 -1.597 -13.015 -12.453 1.00 43.10 H new ATOM 0 HG2 LYS A 56 0.528 -14.779 -13.725 1.00 33.20 H new ATOM 0 HG3 LYS A 56 -0.985 -14.350 -14.497 1.00 33.20 H new ATOM 0 HD2 LYS A 56 -0.071 -11.872 -13.719 1.00 12.40 H new ATOM 0 HD3 LYS A 56 1.440 -12.702 -14.031 1.00 12.40 H new ATOM 0 HE2 LYS A 56 0.849 -11.744 -16.112 1.00 54.30 H new ATOM 0 HE3 LYS A 56 0.430 -13.439 -16.272 1.00 54.30 H new ATOM 0 HZ1 LYS A 56 -1.438 -12.424 -17.064 1.00 23.40 H new ATOM 0 HZ2 LYS A 56 -1.882 -12.621 -15.436 1.00 23.40 H new ATOM 0 HZ3 LYS A 56 -1.341 -11.110 -15.993 1.00 23.40 H new ATOM 744 N ALA A 57 -1.373 -13.301 -9.386 1.00 52.00 N ATOM 745 CA ALA A 57 -2.043 -12.564 -8.324 1.00 30.40 C ATOM 746 C ALA A 57 -1.034 -11.942 -7.364 1.00 14.20 C ATOM 747 O ALA A 57 -1.116 -10.762 -7.038 1.00 62.10 O ATOM 748 CB ALA A 57 -2.993 -13.474 -7.566 1.00 74.30 C ATOM 0 H ALA A 57 -1.611 -14.292 -9.425 1.00 52.00 H new ATOM 0 HA ALA A 57 -2.615 -11.759 -8.785 1.00 30.40 H new ATOM 0 HB1 ALA A 57 -3.486 -12.908 -6.776 1.00 74.30 H new ATOM 0 HB2 ALA A 57 -3.743 -13.869 -8.251 1.00 74.30 H new ATOM 0 HB3 ALA A 57 -2.433 -14.299 -7.126 1.00 74.30 H new ATOM 754 N LYS A 58 -0.080 -12.749 -6.916 1.00 53.10 N ATOM 755 CA LYS A 58 0.948 -12.284 -5.993 1.00 24.10 C ATOM 756 C LYS A 58 1.856 -11.259 -6.665 1.00 45.20 C ATOM 757 O LYS A 58 2.348 -10.332 -6.019 1.00 12.00 O ATOM 758 CB LYS A 58 1.780 -13.457 -5.483 1.00 32.40 C ATOM 759 CG LYS A 58 0.999 -14.426 -4.608 1.00 72.00 C ATOM 760 CD LYS A 58 1.766 -15.721 -4.378 1.00 1.12 C ATOM 761 CE LYS A 58 2.967 -15.492 -3.477 1.00 32.10 C ATOM 762 NZ LYS A 58 4.202 -15.205 -4.258 1.00 43.20 N ATOM 0 H LYS A 58 0.003 -13.731 -7.178 1.00 53.10 H new ATOM 0 HA LYS A 58 0.450 -11.809 -5.148 1.00 24.10 H new ATOM 0 HB2 LYS A 58 2.188 -13.999 -6.336 1.00 32.40 H new ATOM 0 HB3 LYS A 58 2.627 -13.071 -4.916 1.00 32.40 H new ATOM 0 HG2 LYS A 58 0.782 -13.956 -3.649 1.00 72.00 H new ATOM 0 HG3 LYS A 58 0.041 -14.649 -5.077 1.00 72.00 H new ATOM 0 HD2 LYS A 58 1.106 -16.463 -3.928 1.00 1.12 H new ATOM 0 HD3 LYS A 58 2.097 -16.126 -5.334 1.00 1.12 H new ATOM 0 HE2 LYS A 58 2.762 -14.660 -2.804 1.00 32.10 H new ATOM 0 HE3 LYS A 58 3.127 -16.373 -2.855 1.00 32.10 H new ATOM 0 HZ1 LYS A 58 4.896 -15.963 -4.100 1.00 43.20 H new ATOM 0 HZ2 LYS A 58 3.969 -15.154 -5.270 1.00 43.20 H new ATOM 0 HZ3 LYS A 58 4.605 -14.297 -3.950 1.00 43.20 H new ATOM 776 N GLN A 59 2.073 -11.429 -7.965 1.00 31.00 N ATOM 777 CA GLN A 59 2.921 -10.518 -8.724 1.00 22.00 C ATOM 778 C GLN A 59 2.258 -9.154 -8.871 1.00 12.10 C ATOM 779 O GLN A 59 2.935 -8.127 -8.923 1.00 21.20 O ATOM 780 CB GLN A 59 3.222 -11.096 -10.106 1.00 43.10 C ATOM 781 CG GLN A 59 4.575 -10.679 -10.661 1.00 73.50 C ATOM 782 CD GLN A 59 4.667 -9.192 -10.910 1.00 44.20 C ATOM 783 OE1 GLN A 59 3.995 -8.658 -11.793 1.00 14.30 O ATOM 784 NE2 GLN A 59 5.499 -8.511 -10.130 1.00 22.00 N ATOM 0 H GLN A 59 1.673 -12.189 -8.515 1.00 31.00 H new ATOM 0 HA GLN A 59 3.855 -10.395 -8.177 1.00 22.00 H new ATOM 0 HB2 GLN A 59 3.181 -12.184 -10.052 1.00 43.10 H new ATOM 0 HB3 GLN A 59 2.442 -10.782 -10.799 1.00 43.10 H new ATOM 0 HG2 GLN A 59 5.357 -10.976 -9.962 1.00 73.50 H new ATOM 0 HG3 GLN A 59 4.761 -11.212 -11.593 1.00 73.50 H new ATOM 0 HE21 GLN A 59 6.036 -8.996 -9.411 1.00 22.00 H new ATOM 0 HE22 GLN A 59 5.601 -7.503 -10.250 1.00 22.00 H new ATOM 793 N SER A 60 0.932 -9.150 -8.937 1.00 35.10 N ATOM 794 CA SER A 60 0.177 -7.910 -9.077 1.00 41.20 C ATOM 795 C SER A 60 0.122 -7.154 -7.753 1.00 40.10 C ATOM 796 O SER A 60 0.470 -5.975 -7.686 1.00 4.31 O ATOM 797 CB SER A 60 -1.242 -8.205 -9.569 1.00 11.30 C ATOM 798 OG SER A 60 -1.691 -7.201 -10.462 1.00 72.30 O ATOM 0 H SER A 60 0.357 -9.991 -8.896 1.00 35.10 H new ATOM 0 HA SER A 60 0.686 -7.285 -9.811 1.00 41.20 H new ATOM 0 HB2 SER A 60 -1.264 -9.175 -10.066 1.00 11.30 H new ATOM 0 HB3 SER A 60 -1.920 -8.268 -8.718 1.00 11.30 H new ATOM 0 HG SER A 60 -2.599 -7.413 -10.763 1.00 72.30 H new ATOM 804 N ILE A 61 -0.320 -7.839 -6.704 1.00 53.10 N ATOM 805 CA ILE A 61 -0.420 -7.232 -5.382 1.00 42.50 C ATOM 806 C ILE A 61 0.939 -6.741 -4.897 1.00 73.50 C ATOM 807 O ILE A 61 1.041 -5.694 -4.259 1.00 34.50 O ATOM 808 CB ILE A 61 -0.994 -8.222 -4.350 1.00 23.40 C ATOM 809 CG1 ILE A 61 -0.164 -9.507 -4.329 1.00 53.30 C ATOM 810 CG2 ILE A 61 -2.450 -8.528 -4.665 1.00 61.30 C ATOM 811 CD1 ILE A 61 0.856 -9.548 -3.212 1.00 34.50 C ATOM 0 H ILE A 61 -0.615 -8.815 -6.744 1.00 53.10 H new ATOM 0 HA ILE A 61 -1.097 -6.383 -5.476 1.00 42.50 H new ATOM 0 HB ILE A 61 -0.945 -7.765 -3.361 1.00 23.40 H new ATOM 0 HG12 ILE A 61 -0.834 -10.361 -4.230 1.00 53.30 H new ATOM 0 HG13 ILE A 61 0.350 -9.614 -5.284 1.00 53.30 H new ATOM 0 HG21 ILE A 61 -2.842 -9.229 -3.928 1.00 61.30 H new ATOM 0 HG22 ILE A 61 -3.030 -7.606 -4.634 1.00 61.30 H new ATOM 0 HG23 ILE A 61 -2.522 -8.969 -5.659 1.00 61.30 H new ATOM 0 HD11 ILE A 61 1.408 -10.487 -3.258 1.00 34.50 H new ATOM 0 HD12 ILE A 61 1.549 -8.714 -3.321 1.00 34.50 H new ATOM 0 HD13 ILE A 61 0.347 -9.473 -2.251 1.00 34.50 H new ATOM 823 N ARG A 62 1.983 -7.505 -5.204 1.00 40.10 N ATOM 824 CA ARG A 62 3.337 -7.148 -4.799 1.00 44.20 C ATOM 825 C ARG A 62 3.817 -5.905 -5.541 1.00 71.40 C ATOM 826 O ARG A 62 4.241 -4.928 -4.924 1.00 55.30 O ATOM 827 CB ARG A 62 4.293 -8.314 -5.059 1.00 40.10 C ATOM 828 CG ARG A 62 4.312 -9.336 -3.942 1.00 5.43 C ATOM 829 CD ARG A 62 5.690 -9.970 -3.788 1.00 14.20 C ATOM 830 NE ARG A 62 5.739 -11.312 -4.353 1.00 63.40 N ATOM 831 CZ ARG A 62 6.870 -11.941 -4.677 1.00 64.50 C ATOM 832 NH1 ARG A 62 8.042 -11.348 -4.496 1.00 53.20 N ATOM 833 NH2 ARG A 62 6.825 -13.166 -5.184 1.00 31.10 N ATOM 0 H ARG A 62 1.916 -8.375 -5.732 1.00 40.10 H new ATOM 0 HA ARG A 62 3.325 -6.929 -3.731 1.00 44.20 H new ATOM 0 HB2 ARG A 62 4.008 -8.807 -5.988 1.00 40.10 H new ATOM 0 HB3 ARG A 62 5.301 -7.923 -5.201 1.00 40.10 H new ATOM 0 HG2 ARG A 62 4.023 -8.859 -3.006 1.00 5.43 H new ATOM 0 HG3 ARG A 62 3.574 -10.112 -4.145 1.00 5.43 H new ATOM 0 HD2 ARG A 62 6.435 -9.343 -4.278 1.00 14.20 H new ATOM 0 HD3 ARG A 62 5.954 -10.012 -2.731 1.00 14.20 H new ATOM 0 HE ARG A 62 4.857 -11.799 -4.510 1.00 63.40 H new ATOM 0 HH11 ARG A 62 8.082 -10.406 -4.107 1.00 53.20 H new ATOM 0 HH12 ARG A 62 8.903 -11.834 -4.746 1.00 53.20 H new ATOM 0 HH21 ARG A 62 5.926 -13.626 -5.326 1.00 31.10 H new ATOM 0 HH22 ARG A 62 7.689 -13.647 -5.432 1.00 31.10 H new ATOM 847 N ALA A 63 3.746 -5.949 -6.867 1.00 43.40 N ATOM 848 CA ALA A 63 4.173 -4.825 -7.692 1.00 44.30 C ATOM 849 C ALA A 63 3.382 -3.566 -7.353 1.00 63.20 C ATOM 850 O ALA A 63 3.916 -2.457 -7.389 1.00 50.10 O ATOM 851 CB ALA A 63 4.020 -5.166 -9.167 1.00 45.40 C ATOM 0 H ALA A 63 3.397 -6.750 -7.393 1.00 43.40 H new ATOM 0 HA ALA A 63 5.225 -4.630 -7.483 1.00 44.30 H new ATOM 0 HB1 ALA A 63 4.342 -4.318 -9.772 1.00 45.40 H new ATOM 0 HB2 ALA A 63 4.633 -6.035 -9.405 1.00 45.40 H new ATOM 0 HB3 ALA A 63 2.975 -5.389 -9.382 1.00 45.40 H new ATOM 857 N LYS A 64 2.107 -3.746 -7.023 1.00 55.40 N ATOM 858 CA LYS A 64 1.243 -2.625 -6.675 1.00 71.00 C ATOM 859 C LYS A 64 1.525 -2.140 -5.257 1.00 70.20 C ATOM 860 O LYS A 64 1.402 -0.951 -4.960 1.00 4.33 O ATOM 861 CB LYS A 64 -0.227 -3.027 -6.806 1.00 54.20 C ATOM 862 CG LYS A 64 -0.806 -2.775 -8.189 1.00 22.20 C ATOM 863 CD LYS A 64 -1.812 -3.847 -8.576 1.00 72.50 C ATOM 864 CE LYS A 64 -2.597 -3.452 -9.815 1.00 13.10 C ATOM 865 NZ LYS A 64 -1.828 -3.704 -11.065 1.00 61.10 N ATOM 0 H LYS A 64 1.650 -4.657 -6.989 1.00 55.40 H new ATOM 0 HA LYS A 64 1.452 -1.809 -7.367 1.00 71.00 H new ATOM 0 HB2 LYS A 64 -0.328 -4.085 -6.566 1.00 54.20 H new ATOM 0 HB3 LYS A 64 -0.813 -2.476 -6.070 1.00 54.20 H new ATOM 0 HG2 LYS A 64 -1.288 -1.798 -8.210 1.00 22.20 H new ATOM 0 HG3 LYS A 64 -0.000 -2.749 -8.923 1.00 22.20 H new ATOM 0 HD2 LYS A 64 -1.292 -4.787 -8.758 1.00 72.50 H new ATOM 0 HD3 LYS A 64 -2.499 -4.018 -7.748 1.00 72.50 H new ATOM 0 HE2 LYS A 64 -3.532 -4.011 -9.845 1.00 13.10 H new ATOM 0 HE3 LYS A 64 -2.859 -2.396 -9.757 1.00 13.10 H new ATOM 0 HZ1 LYS A 64 -2.399 -3.421 -11.887 1.00 61.10 H new ATOM 0 HZ2 LYS A 64 -0.947 -3.151 -11.048 1.00 61.10 H new ATOM 0 HZ3 LYS A 64 -1.600 -4.716 -11.134 1.00 61.10 H new ATOM 879 N CYS A 65 1.905 -3.068 -4.384 1.00 3.51 N ATOM 880 CA CYS A 65 2.204 -2.735 -2.997 1.00 30.30 C ATOM 881 C CYS A 65 3.467 -1.884 -2.904 1.00 43.40 C ATOM 882 O CYS A 65 3.556 -0.977 -2.076 1.00 54.20 O ATOM 883 CB CYS A 65 2.373 -4.009 -2.168 1.00 61.30 C ATOM 884 SG CYS A 65 0.823 -4.679 -1.522 1.00 4.13 S ATOM 0 H CYS A 65 2.013 -4.056 -4.613 1.00 3.51 H new ATOM 0 HA CYS A 65 1.368 -2.160 -2.599 1.00 30.30 H new ATOM 0 HB2 CYS A 65 2.857 -4.768 -2.783 1.00 61.30 H new ATOM 0 HB3 CYS A 65 3.042 -3.801 -1.333 1.00 61.30 H new ATOM 0 HG CYS A 65 0.261 -5.424 -2.428 1.00 4.13 H new ATOM 890 N THR A 66 4.439 -2.181 -3.759 1.00 25.10 N ATOM 891 CA THR A 66 5.697 -1.443 -3.775 1.00 3.52 C ATOM 892 C THR A 66 5.490 -0.031 -4.315 1.00 15.40 C ATOM 893 O THR A 66 6.028 0.936 -3.775 1.00 12.10 O ATOM 894 CB THR A 66 6.735 -2.179 -4.623 1.00 63.40 C ATOM 895 OG1 THR A 66 6.900 -3.511 -4.168 1.00 34.10 O ATOM 896 CG2 THR A 66 8.095 -1.517 -4.611 1.00 21.40 C ATOM 0 H THR A 66 4.380 -2.928 -4.451 1.00 25.10 H new ATOM 0 HA THR A 66 6.062 -1.372 -2.750 1.00 3.52 H new ATOM 0 HB THR A 66 6.347 -2.155 -5.641 1.00 63.40 H new ATOM 0 HG1 THR A 66 6.093 -4.028 -4.371 1.00 34.10 H new ATOM 0 HG21 THR A 66 8.784 -2.090 -5.232 1.00 21.40 H new ATOM 0 HG22 THR A 66 8.010 -0.504 -5.003 1.00 21.40 H new ATOM 0 HG23 THR A 66 8.473 -1.480 -3.589 1.00 21.40 H new ATOM 904 N GLU A 67 4.708 0.080 -5.383 1.00 62.40 N ATOM 905 CA GLU A 67 4.430 1.374 -5.996 1.00 1.25 C ATOM 906 C GLU A 67 3.735 2.305 -5.009 1.00 51.40 C ATOM 907 O GLU A 67 4.035 3.497 -4.946 1.00 52.20 O ATOM 908 CB GLU A 67 3.565 1.195 -7.245 1.00 44.10 C ATOM 909 CG GLU A 67 3.272 2.496 -7.973 1.00 71.40 C ATOM 910 CD GLU A 67 2.281 2.319 -9.106 1.00 64.20 C ATOM 911 OE1 GLU A 67 1.477 1.365 -9.049 1.00 11.40 O ATOM 912 OE2 GLU A 67 2.308 3.135 -10.052 1.00 33.50 O ATOM 0 H GLU A 67 4.255 -0.710 -5.842 1.00 62.40 H new ATOM 0 HA GLU A 67 5.380 1.824 -6.283 1.00 1.25 H new ATOM 0 HB2 GLU A 67 4.067 0.510 -7.929 1.00 44.10 H new ATOM 0 HB3 GLU A 67 2.622 0.727 -6.960 1.00 44.10 H new ATOM 0 HG2 GLU A 67 2.881 3.225 -7.263 1.00 71.40 H new ATOM 0 HG3 GLU A 67 4.202 2.904 -8.369 1.00 71.40 H new ATOM 919 N TYR A 68 2.802 1.753 -4.239 1.00 61.40 N ATOM 920 CA TYR A 68 2.063 2.534 -3.254 1.00 72.40 C ATOM 921 C TYR A 68 2.927 2.824 -2.032 1.00 41.40 C ATOM 922 O TYR A 68 2.879 3.920 -1.472 1.00 51.20 O ATOM 923 CB TYR A 68 0.794 1.791 -2.832 1.00 71.00 C ATOM 924 CG TYR A 68 -0.186 1.571 -3.962 1.00 24.30 C ATOM 925 CD1 TYR A 68 -0.445 2.574 -4.889 1.00 64.30 C ATOM 926 CD2 TYR A 68 -0.852 0.360 -4.104 1.00 35.20 C ATOM 927 CE1 TYR A 68 -1.339 2.377 -5.923 1.00 63.30 C ATOM 928 CE2 TYR A 68 -1.747 0.155 -5.137 1.00 61.10 C ATOM 929 CZ TYR A 68 -1.987 1.166 -6.042 1.00 44.10 C ATOM 930 OH TYR A 68 -2.879 0.965 -7.071 1.00 62.40 O ATOM 0 H TYR A 68 2.540 0.768 -4.279 1.00 61.40 H new ATOM 0 HA TYR A 68 1.784 3.483 -3.713 1.00 72.40 H new ATOM 0 HB2 TYR A 68 1.072 0.825 -2.411 1.00 71.00 H new ATOM 0 HB3 TYR A 68 0.301 2.354 -2.040 1.00 71.00 H new ATOM 0 HD1 TYR A 68 0.062 3.524 -4.799 1.00 64.30 H new ATOM 0 HD2 TYR A 68 -0.667 -0.434 -3.396 1.00 35.20 H new ATOM 0 HE1 TYR A 68 -1.529 3.167 -6.634 1.00 63.30 H new ATOM 0 HE2 TYR A 68 -2.256 -0.793 -5.234 1.00 61.10 H new ATOM 0 HH TYR A 68 -3.247 0.059 -7.012 1.00 62.40 H new ATOM 940 N LEU A 69 3.716 1.836 -1.621 1.00 44.40 N ATOM 941 CA LEU A 69 4.591 1.986 -0.465 1.00 2.21 C ATOM 942 C LEU A 69 5.590 3.118 -0.681 1.00 75.40 C ATOM 943 O LEU A 69 5.760 3.982 0.179 1.00 72.10 O ATOM 944 CB LEU A 69 5.337 0.678 -0.190 1.00 23.10 C ATOM 945 CG LEU A 69 4.599 -0.310 0.714 1.00 44.10 C ATOM 946 CD1 LEU A 69 5.189 -1.705 0.573 1.00 12.30 C ATOM 947 CD2 LEU A 69 4.653 0.151 2.162 1.00 71.10 C ATOM 0 H LEU A 69 3.767 0.923 -2.072 1.00 44.40 H new ATOM 0 HA LEU A 69 3.972 2.232 0.398 1.00 2.21 H new ATOM 0 HB2 LEU A 69 5.546 0.190 -1.142 1.00 23.10 H new ATOM 0 HB3 LEU A 69 6.299 0.915 0.265 1.00 23.10 H new ATOM 0 HG LEU A 69 3.554 -0.347 0.405 1.00 44.10 H new ATOM 0 HD11 LEU A 69 4.651 -2.395 1.224 1.00 12.30 H new ATOM 0 HD12 LEU A 69 5.097 -2.036 -0.462 1.00 12.30 H new ATOM 0 HD13 LEU A 69 6.241 -1.685 0.856 1.00 12.30 H new ATOM 0 HD21 LEU A 69 4.123 -0.564 2.791 1.00 71.10 H new ATOM 0 HD22 LEU A 69 5.692 0.217 2.484 1.00 71.10 H new ATOM 0 HD23 LEU A 69 4.183 1.130 2.250 1.00 71.10 H new ATOM 959 N ASP A 70 6.248 3.107 -1.836 1.00 73.40 N ATOM 960 CA ASP A 70 7.230 4.134 -2.166 1.00 53.30 C ATOM 961 C ASP A 70 6.586 5.517 -2.182 1.00 22.50 C ATOM 962 O ASP A 70 7.147 6.480 -1.658 1.00 1.25 O ATOM 963 CB ASP A 70 7.869 3.840 -3.524 1.00 24.10 C ATOM 964 CG ASP A 70 9.144 4.630 -3.745 1.00 41.10 C ATOM 965 OD1 ASP A 70 9.084 5.877 -3.709 1.00 30.40 O ATOM 966 OD2 ASP A 70 10.203 4.002 -3.956 1.00 73.10 O ATOM 0 H ASP A 70 6.119 2.399 -2.559 1.00 73.40 H new ATOM 0 HA ASP A 70 8.004 4.122 -1.398 1.00 53.30 H new ATOM 0 HB2 ASP A 70 8.088 2.775 -3.597 1.00 24.10 H new ATOM 0 HB3 ASP A 70 7.158 4.074 -4.316 1.00 24.10 H new ATOM 971 N ARG A 71 5.407 5.608 -2.788 1.00 45.40 N ATOM 972 CA ARG A 71 4.687 6.874 -2.872 1.00 63.00 C ATOM 973 C ARG A 71 4.372 7.414 -1.481 1.00 30.40 C ATOM 974 O ARG A 71 4.317 8.626 -1.273 1.00 14.00 O ATOM 975 CB ARG A 71 3.394 6.697 -3.670 1.00 71.20 C ATOM 976 CG ARG A 71 2.906 7.975 -4.331 1.00 44.10 C ATOM 977 CD ARG A 71 3.355 8.059 -5.780 1.00 14.40 C ATOM 978 NE ARG A 71 3.223 9.411 -6.317 1.00 10.20 N ATOM 979 CZ ARG A 71 3.814 9.825 -7.436 1.00 40.20 C ATOM 980 NH1 ARG A 71 4.575 8.997 -8.139 1.00 52.00 N ATOM 981 NH2 ARG A 71 3.641 11.073 -7.853 1.00 73.10 N ATOM 0 H ARG A 71 4.930 4.821 -3.228 1.00 45.40 H new ATOM 0 HA ARG A 71 5.325 7.594 -3.384 1.00 63.00 H new ATOM 0 HB2 ARG A 71 3.551 5.939 -4.437 1.00 71.20 H new ATOM 0 HB3 ARG A 71 2.616 6.322 -3.006 1.00 71.20 H new ATOM 0 HG2 ARG A 71 1.818 8.018 -4.283 1.00 44.10 H new ATOM 0 HG3 ARG A 71 3.284 8.837 -3.781 1.00 44.10 H new ATOM 0 HD2 ARG A 71 4.394 7.738 -5.857 1.00 14.40 H new ATOM 0 HD3 ARG A 71 2.764 7.370 -6.383 1.00 14.40 H new ATOM 0 HE ARG A 71 2.644 10.077 -5.805 1.00 10.20 H new ATOM 0 HH11 ARG A 71 4.710 8.037 -7.823 1.00 52.00 H new ATOM 0 HH12 ARG A 71 5.025 9.321 -8.995 1.00 52.00 H new ATOM 0 HH21 ARG A 71 3.056 11.714 -7.316 1.00 73.10 H new ATOM 0 HH22 ARG A 71 4.093 11.392 -8.710 1.00 73.10 H new ATOM 995 N ALA A 72 4.164 6.507 -0.532 1.00 42.10 N ATOM 996 CA ALA A 72 3.853 6.892 0.839 1.00 12.40 C ATOM 997 C ALA A 72 5.054 7.552 1.508 1.00 11.10 C ATOM 998 O ALA A 72 4.927 8.606 2.130 1.00 51.50 O ATOM 999 CB ALA A 72 3.401 5.680 1.637 1.00 51.10 C ATOM 0 H ALA A 72 4.205 5.500 -0.688 1.00 42.10 H new ATOM 0 HA ALA A 72 3.041 7.618 0.812 1.00 12.40 H new ATOM 0 HB1 ALA A 72 3.172 5.982 2.659 1.00 51.10 H new ATOM 0 HB2 ALA A 72 2.510 5.253 1.177 1.00 51.10 H new ATOM 0 HB3 ALA A 72 4.196 4.935 1.648 1.00 51.10 H new ATOM 1005 N GLU A 73 6.217 6.924 1.376 1.00 44.30 N ATOM 1006 CA GLU A 73 7.441 7.451 1.968 1.00 75.50 C ATOM 1007 C GLU A 73 7.780 8.821 1.390 1.00 53.10 C ATOM 1008 O GLU A 73 8.348 9.672 2.075 1.00 12.40 O ATOM 1009 CB GLU A 73 8.604 6.484 1.733 1.00 74.40 C ATOM 1010 CG GLU A 73 8.555 5.248 2.616 1.00 55.30 C ATOM 1011 CD GLU A 73 9.932 4.786 3.048 1.00 13.00 C ATOM 1012 OE1 GLU A 73 10.561 5.484 3.871 1.00 45.40 O ATOM 1013 OE2 GLU A 73 10.381 3.725 2.566 1.00 23.10 O ATOM 0 H GLU A 73 6.338 6.050 0.865 1.00 44.30 H new ATOM 0 HA GLU A 73 7.278 7.559 3.040 1.00 75.50 H new ATOM 0 HB2 GLU A 73 8.602 6.174 0.688 1.00 74.40 H new ATOM 0 HB3 GLU A 73 9.543 7.009 1.908 1.00 74.40 H new ATOM 0 HG2 GLU A 73 7.953 5.461 3.500 1.00 55.30 H new ATOM 0 HG3 GLU A 73 8.057 4.441 2.078 1.00 55.30 H new ATOM 1020 N LYS A 74 7.427 9.028 0.126 1.00 45.10 N ATOM 1021 CA LYS A 74 7.693 10.296 -0.544 1.00 24.50 C ATOM 1022 C LYS A 74 6.864 11.419 0.068 1.00 73.30 C ATOM 1023 O LYS A 74 7.351 12.536 0.251 1.00 72.00 O ATOM 1024 CB LYS A 74 7.390 10.179 -2.039 1.00 70.20 C ATOM 1025 CG LYS A 74 8.030 11.275 -2.877 1.00 24.20 C ATOM 1026 CD LYS A 74 8.301 10.805 -4.296 1.00 42.30 C ATOM 1027 CE LYS A 74 8.888 11.918 -5.149 1.00 74.20 C ATOM 1028 NZ LYS A 74 7.877 12.963 -5.472 1.00 24.00 N ATOM 0 H LYS A 74 6.956 8.334 -0.455 1.00 45.10 H new ATOM 0 HA LYS A 74 8.748 10.535 -0.411 1.00 24.50 H new ATOM 0 HB2 LYS A 74 7.737 9.210 -2.397 1.00 70.20 H new ATOM 0 HB3 LYS A 74 6.310 10.205 -2.186 1.00 70.20 H new ATOM 0 HG2 LYS A 74 7.375 12.146 -2.900 1.00 24.20 H new ATOM 0 HG3 LYS A 74 8.964 11.591 -2.413 1.00 24.20 H new ATOM 0 HD2 LYS A 74 8.989 9.960 -4.275 1.00 42.30 H new ATOM 0 HD3 LYS A 74 7.374 10.450 -4.746 1.00 42.30 H new ATOM 0 HE2 LYS A 74 9.727 12.375 -4.623 1.00 74.20 H new ATOM 0 HE3 LYS A 74 9.283 11.497 -6.074 1.00 74.20 H new ATOM 0 HZ1 LYS A 74 8.287 13.649 -6.137 1.00 24.00 H new ATOM 0 HZ2 LYS A 74 7.043 12.517 -5.905 1.00 24.00 H new ATOM 0 HZ3 LYS A 74 7.593 13.453 -4.600 1.00 24.00 H new ATOM 1042 N LEU A 75 5.609 11.118 0.383 1.00 1.14 N ATOM 1043 CA LEU A 75 4.711 12.103 0.976 1.00 1.23 C ATOM 1044 C LEU A 75 5.071 12.360 2.434 1.00 24.40 C ATOM 1045 O LEU A 75 5.091 13.504 2.888 1.00 45.10 O ATOM 1046 CB LEU A 75 3.260 11.630 0.871 1.00 34.10 C ATOM 1047 CG LEU A 75 2.741 11.441 -0.555 1.00 62.20 C ATOM 1048 CD1 LEU A 75 1.409 10.706 -0.545 1.00 23.30 C ATOM 1049 CD2 LEU A 75 2.605 12.785 -1.254 1.00 5.43 C ATOM 0 H LEU A 75 5.190 10.199 0.238 1.00 1.14 H new ATOM 0 HA LEU A 75 4.822 13.037 0.425 1.00 1.23 H new ATOM 0 HB2 LEU A 75 3.163 10.685 1.405 1.00 34.10 H new ATOM 0 HB3 LEU A 75 2.621 12.351 1.381 1.00 34.10 H new ATOM 0 HG LEU A 75 3.461 10.837 -1.107 1.00 62.20 H new ATOM 0 HD11 LEU A 75 1.055 10.581 -1.568 1.00 23.30 H new ATOM 0 HD12 LEU A 75 1.537 9.727 -0.083 1.00 23.30 H new ATOM 0 HD13 LEU A 75 0.679 11.283 0.023 1.00 23.30 H new ATOM 0 HD21 LEU A 75 2.235 12.632 -2.268 1.00 5.43 H new ATOM 0 HD22 LEU A 75 1.905 13.413 -0.703 1.00 5.43 H new ATOM 0 HD23 LEU A 75 3.578 13.275 -1.293 1.00 5.43 H new ATOM 1061 N LYS A 76 5.356 11.287 3.166 1.00 35.20 N ATOM 1062 CA LYS A 76 5.717 11.396 4.575 1.00 41.30 C ATOM 1063 C LYS A 76 6.968 12.251 4.752 1.00 32.10 C ATOM 1064 O LYS A 76 7.080 13.015 5.710 1.00 33.00 O ATOM 1065 CB LYS A 76 5.946 10.007 5.173 1.00 11.10 C ATOM 1066 CG LYS A 76 5.646 9.929 6.661 1.00 54.20 C ATOM 1067 CD LYS A 76 6.908 10.095 7.493 1.00 64.00 C ATOM 1068 CE LYS A 76 7.733 8.817 7.515 1.00 12.30 C ATOM 1069 NZ LYS A 76 7.226 7.846 8.522 1.00 12.40 N ATOM 0 H LYS A 76 5.344 10.333 2.807 1.00 35.20 H new ATOM 0 HA LYS A 76 4.892 11.878 5.099 1.00 41.30 H new ATOM 0 HB2 LYS A 76 5.321 9.286 4.646 1.00 11.10 H new ATOM 0 HB3 LYS A 76 6.982 9.714 5.004 1.00 11.10 H new ATOM 0 HG2 LYS A 76 4.927 10.703 6.929 1.00 54.20 H new ATOM 0 HG3 LYS A 76 5.181 8.970 6.890 1.00 54.20 H new ATOM 0 HD2 LYS A 76 7.508 10.910 7.087 1.00 64.00 H new ATOM 0 HD3 LYS A 76 6.639 10.374 8.512 1.00 64.00 H new ATOM 0 HE2 LYS A 76 7.716 8.357 6.527 1.00 12.30 H new ATOM 0 HE3 LYS A 76 8.772 9.060 7.736 1.00 12.30 H new ATOM 0 HZ1 LYS A 76 7.815 6.989 8.505 1.00 12.40 H new ATOM 0 HZ2 LYS A 76 7.266 8.275 9.469 1.00 12.40 H new ATOM 0 HZ3 LYS A 76 6.242 7.594 8.297 1.00 12.40 H new ATOM 1083 N GLU A 77 7.905 12.119 3.819 1.00 2.22 N ATOM 1084 CA GLU A 77 9.146 12.881 3.870 1.00 1.34 C ATOM 1085 C GLU A 77 8.906 14.331 3.464 1.00 13.20 C ATOM 1086 O GLU A 77 9.231 15.258 4.206 1.00 51.40 O ATOM 1087 CB GLU A 77 10.197 12.250 2.954 1.00 52.10 C ATOM 1088 CG GLU A 77 11.627 12.495 3.408 1.00 21.30 C ATOM 1089 CD GLU A 77 12.583 11.423 2.923 1.00 71.20 C ATOM 1090 OE1 GLU A 77 12.273 10.227 3.101 1.00 3.54 O ATOM 1091 OE2 GLU A 77 13.641 11.781 2.365 1.00 3.02 O ATOM 0 H GLU A 77 7.828 11.491 3.019 1.00 2.22 H new ATOM 0 HA GLU A 77 9.513 12.863 4.896 1.00 1.34 H new ATOM 0 HB2 GLU A 77 10.021 11.176 2.899 1.00 52.10 H new ATOM 0 HB3 GLU A 77 10.072 12.645 1.946 1.00 52.10 H new ATOM 0 HG2 GLU A 77 11.960 13.466 3.042 1.00 21.30 H new ATOM 0 HG3 GLU A 77 11.657 12.538 4.497 1.00 21.30 H new ATOM 1098 N TYR A 78 8.328 14.516 2.282 1.00 12.40 N ATOM 1099 CA TYR A 78 8.036 15.849 1.773 1.00 72.40 C ATOM 1100 C TYR A 78 7.081 16.585 2.711 1.00 2.35 C ATOM 1101 O TYR A 78 7.140 17.809 2.838 1.00 41.00 O ATOM 1102 CB TYR A 78 7.444 15.750 0.359 1.00 50.10 C ATOM 1103 CG TYR A 78 6.435 16.828 0.024 1.00 62.30 C ATOM 1104 CD1 TYR A 78 5.118 16.727 0.452 1.00 2.15 C ATOM 1105 CD2 TYR A 78 6.800 17.944 -0.719 1.00 34.30 C ATOM 1106 CE1 TYR A 78 4.192 17.706 0.150 1.00 24.40 C ATOM 1107 CE2 TYR A 78 5.880 18.928 -1.025 1.00 44.20 C ATOM 1108 CZ TYR A 78 4.577 18.805 -0.589 1.00 51.50 C ATOM 1109 OH TYR A 78 3.658 19.783 -0.892 1.00 54.30 O ATOM 0 H TYR A 78 8.052 13.757 1.658 1.00 12.40 H new ATOM 0 HA TYR A 78 8.964 16.419 1.724 1.00 72.40 H new ATOM 0 HB2 TYR A 78 8.257 15.793 -0.366 1.00 50.10 H new ATOM 0 HB3 TYR A 78 6.968 14.776 0.246 1.00 50.10 H new ATOM 0 HD1 TYR A 78 4.813 15.868 1.031 1.00 2.15 H new ATOM 0 HD2 TYR A 78 7.819 18.044 -1.063 1.00 34.30 H new ATOM 0 HE1 TYR A 78 3.172 17.612 0.491 1.00 24.40 H new ATOM 0 HE2 TYR A 78 6.180 19.790 -1.603 1.00 44.20 H new ATOM 0 HH TYR A 78 4.091 20.488 -1.417 1.00 54.30 H new ATOM 1119 N LEU A 79 6.203 15.831 3.364 1.00 11.50 N ATOM 1120 CA LEU A 79 5.237 16.411 4.290 1.00 41.10 C ATOM 1121 C LEU A 79 5.943 17.098 5.455 1.00 44.40 C ATOM 1122 O LEU A 79 5.749 18.290 5.694 1.00 73.10 O ATOM 1123 CB LEU A 79 4.292 15.330 4.818 1.00 23.10 C ATOM 1124 CG LEU A 79 3.075 15.046 3.936 1.00 65.20 C ATOM 1125 CD1 LEU A 79 2.547 13.643 4.192 1.00 75.40 C ATOM 1126 CD2 LEU A 79 1.988 16.081 4.182 1.00 41.40 C ATOM 0 H LEU A 79 6.140 14.817 3.269 1.00 11.50 H new ATOM 0 HA LEU A 79 4.657 17.158 3.749 1.00 41.10 H new ATOM 0 HB2 LEU A 79 4.856 14.405 4.942 1.00 23.10 H new ATOM 0 HB3 LEU A 79 3.943 15.626 5.808 1.00 23.10 H new ATOM 0 HG LEU A 79 3.382 15.111 2.892 1.00 65.20 H new ATOM 0 HD11 LEU A 79 1.681 13.458 3.556 1.00 75.40 H new ATOM 0 HD12 LEU A 79 3.325 12.914 3.966 1.00 75.40 H new ATOM 0 HD13 LEU A 79 2.255 13.549 5.238 1.00 75.40 H new ATOM 0 HD21 LEU A 79 1.129 15.865 3.547 1.00 41.40 H new ATOM 0 HD22 LEU A 79 1.683 16.047 5.228 1.00 41.40 H new ATOM 0 HD23 LEU A 79 2.371 17.074 3.948 1.00 41.40 H new ATOM 1138 N LYS A 80 6.762 16.340 6.174 1.00 10.20 N ATOM 1139 CA LYS A 80 7.497 16.876 7.314 1.00 30.10 C ATOM 1140 C LYS A 80 8.686 17.711 6.851 1.00 11.20 C ATOM 1141 O LYS A 80 8.859 18.853 7.277 1.00 32.10 O ATOM 1142 CB LYS A 80 7.978 15.739 8.218 1.00 2.00 C ATOM 1143 CG LYS A 80 6.848 14.931 8.834 1.00 4.34 C ATOM 1144 CD LYS A 80 7.377 13.741 9.616 1.00 73.00 C ATOM 1145 CE LYS A 80 6.324 13.181 10.558 1.00 35.50 C ATOM 1146 NZ LYS A 80 5.903 14.180 11.579 1.00 73.30 N ATOM 0 H LYS A 80 6.934 15.352 5.988 1.00 10.20 H new ATOM 0 HA LYS A 80 6.823 17.519 7.879 1.00 30.10 H new ATOM 0 HB2 LYS A 80 8.617 15.072 7.639 1.00 2.00 H new ATOM 0 HB3 LYS A 80 8.592 16.156 9.016 1.00 2.00 H new ATOM 0 HG2 LYS A 80 6.261 15.569 9.494 1.00 4.34 H new ATOM 0 HG3 LYS A 80 6.178 14.583 8.048 1.00 4.34 H new ATOM 0 HD2 LYS A 80 7.698 12.963 8.924 1.00 73.00 H new ATOM 0 HD3 LYS A 80 8.255 14.041 10.187 1.00 73.00 H new ATOM 0 HE2 LYS A 80 5.455 12.862 9.982 1.00 35.50 H new ATOM 0 HE3 LYS A 80 6.718 12.296 11.057 1.00 35.50 H new ATOM 0 HZ1 LYS A 80 5.541 13.686 12.420 1.00 73.30 H new ATOM 0 HZ2 LYS A 80 6.718 14.767 11.847 1.00 73.30 H new ATOM 0 HZ3 LYS A 80 5.155 14.785 11.185 1.00 73.30 H new ATOM 1160 N ASN A 81 9.504 17.134 5.977 1.00 0.20 N ATOM 1161 CA ASN A 81 10.677 17.826 5.455 1.00 11.20 C ATOM 1162 C ASN A 81 10.277 19.101 4.722 1.00 13.20 C ATOM 1163 O ASN A 81 10.805 20.179 4.998 1.00 4.20 O ATOM 1164 CB ASN A 81 11.460 16.908 4.514 1.00 61.50 C ATOM 1165 CG ASN A 81 11.828 15.589 5.167 1.00 34.40 C ATOM 1166 OD1 ASN A 81 11.035 15.006 5.906 1.00 43.30 O ATOM 1167 ND2 ASN A 81 13.038 15.113 4.896 1.00 11.10 N ATOM 0 H ASN A 81 9.376 16.189 5.615 1.00 0.20 H new ATOM 0 HA ASN A 81 11.311 18.098 6.299 1.00 11.20 H new ATOM 0 HB2 ASN A 81 10.865 16.715 3.621 1.00 61.50 H new ATOM 0 HB3 ASN A 81 12.368 17.415 4.189 1.00 61.50 H new ATOM 0 HD21 ASN A 81 13.342 14.230 5.306 1.00 11.10 H new ATOM 0 HD22 ASN A 81 13.663 15.630 4.277 1.00 11.10 H new ATOM 1175 N ASP B 116 8.854 -10.470 -1.898 1.00 22.10 N ATOM 1176 CA ASP B 116 7.847 -10.241 -0.870 1.00 73.40 C ATOM 1177 C ASP B 116 8.486 -9.708 0.410 1.00 60.10 C ATOM 1178 O ASP B 116 7.870 -8.957 1.159 1.00 2.33 O ATOM 1179 CB ASP B 116 7.080 -11.531 -0.577 1.00 44.10 C ATOM 1180 CG ASP B 116 5.959 -11.319 0.424 1.00 23.10 C ATOM 1181 OD1 ASP B 116 5.263 -10.289 0.330 1.00 11.10 O ATOM 1182 OD2 ASP B 116 5.780 -12.189 1.303 1.00 24.40 O ATOM 0 HA ASP B 116 7.148 -9.492 -1.243 1.00 73.40 H new ATOM 0 HB2 ASP B 116 6.666 -11.924 -1.506 1.00 44.10 H new ATOM 0 HB3 ASP B 116 7.770 -12.282 -0.193 1.00 44.10 H new ATOM 1187 N GLU B 117 9.729 -10.118 0.656 1.00 40.30 N ATOM 1188 CA GLU B 117 10.454 -9.687 1.846 1.00 10.20 C ATOM 1189 C GLU B 117 10.588 -8.165 1.879 1.00 72.40 C ATOM 1190 O GLU B 117 10.506 -7.544 2.940 1.00 51.40 O ATOM 1191 CB GLU B 117 11.839 -10.335 1.890 1.00 35.10 C ATOM 1192 CG GLU B 117 12.410 -10.448 3.292 1.00 1.13 C ATOM 1193 CD GLU B 117 11.803 -11.599 4.075 1.00 23.50 C ATOM 1194 OE1 GLU B 117 11.858 -12.748 3.586 1.00 22.20 O ATOM 1195 OE2 GLU B 117 11.272 -11.352 5.178 1.00 21.50 O ATOM 0 H GLU B 117 10.253 -10.747 0.047 1.00 40.30 H new ATOM 0 HA GLU B 117 9.887 -10.004 2.721 1.00 10.20 H new ATOM 0 HB2 GLU B 117 11.780 -11.330 1.449 1.00 35.10 H new ATOM 0 HB3 GLU B 117 12.524 -9.753 1.273 1.00 35.10 H new ATOM 0 HG2 GLU B 117 13.490 -10.583 3.231 1.00 1.13 H new ATOM 0 HG3 GLU B 117 12.235 -9.515 3.829 1.00 1.13 H new ATOM 1202 N GLU B 118 10.795 -7.571 0.710 1.00 72.40 N ATOM 1203 CA GLU B 118 10.941 -6.127 0.604 1.00 73.20 C ATOM 1204 C GLU B 118 9.604 -5.429 0.830 1.00 64.20 C ATOM 1205 O GLU B 118 9.529 -4.425 1.539 1.00 22.10 O ATOM 1206 CB GLU B 118 11.502 -5.748 -0.767 1.00 60.40 C ATOM 1207 CG GLU B 118 13.021 -5.717 -0.815 1.00 3.45 C ATOM 1208 CD GLU B 118 13.623 -7.074 -1.123 1.00 34.30 C ATOM 1209 OE1 GLU B 118 13.022 -7.813 -1.925 1.00 50.40 O ATOM 1210 OE2 GLU B 118 14.693 -7.386 -0.563 1.00 43.20 O ATOM 0 H GLU B 118 10.865 -8.069 -0.178 1.00 72.40 H new ATOM 0 HA GLU B 118 11.638 -5.800 1.376 1.00 73.20 H new ATOM 0 HB2 GLU B 118 11.138 -6.459 -1.509 1.00 60.40 H new ATOM 0 HB3 GLU B 118 11.118 -4.768 -1.049 1.00 60.40 H new ATOM 0 HG2 GLU B 118 13.342 -5.001 -1.572 1.00 3.45 H new ATOM 0 HG3 GLU B 118 13.404 -5.363 0.142 1.00 3.45 H new ATOM 1217 N ILE B 119 8.552 -5.968 0.224 1.00 31.20 N ATOM 1218 CA ILE B 119 7.217 -5.396 0.359 1.00 25.40 C ATOM 1219 C ILE B 119 6.668 -5.614 1.765 1.00 60.30 C ATOM 1220 O ILE B 119 5.960 -4.763 2.305 1.00 42.30 O ATOM 1221 CB ILE B 119 6.239 -6.006 -0.664 1.00 52.50 C ATOM 1222 CG1 ILE B 119 6.837 -5.950 -2.071 1.00 14.30 C ATOM 1223 CG2 ILE B 119 4.903 -5.278 -0.620 1.00 23.40 C ATOM 1224 CD1 ILE B 119 5.928 -6.517 -3.139 1.00 1.42 C ATOM 0 H ILE B 119 8.597 -6.799 -0.365 1.00 31.20 H new ATOM 0 HA ILE B 119 7.308 -4.327 0.169 1.00 25.40 H new ATOM 0 HB ILE B 119 6.069 -7.051 -0.404 1.00 52.50 H new ATOM 0 HG12 ILE B 119 7.070 -4.914 -2.317 1.00 14.30 H new ATOM 0 HG13 ILE B 119 7.779 -6.499 -2.078 1.00 14.30 H new ATOM 0 HG21 ILE B 119 4.223 -5.721 -1.348 1.00 23.40 H new ATOM 0 HG22 ILE B 119 4.473 -5.366 0.378 1.00 23.40 H new ATOM 0 HG23 ILE B 119 5.054 -4.225 -0.858 1.00 23.40 H new ATOM 0 HD11 ILE B 119 6.418 -6.444 -4.110 1.00 1.42 H new ATOM 0 HD12 ILE B 119 5.715 -7.563 -2.918 1.00 1.42 H new ATOM 0 HD13 ILE B 119 4.995 -5.953 -3.160 1.00 1.42 H new ATOM 1236 N GLU B 120 6.998 -6.759 2.353 1.00 14.30 N ATOM 1237 CA GLU B 120 6.537 -7.089 3.697 1.00 43.00 C ATOM 1238 C GLU B 120 7.145 -6.142 4.727 1.00 3.23 C ATOM 1239 O GLU B 120 6.438 -5.587 5.568 1.00 52.30 O ATOM 1240 CB GLU B 120 6.895 -8.530 4.041 1.00 64.40 C ATOM 1241 CG GLU B 120 5.991 -9.153 5.095 1.00 31.40 C ATOM 1242 CD GLU B 120 6.100 -8.455 6.437 1.00 55.20 C ATOM 1243 OE1 GLU B 120 6.969 -8.847 7.242 1.00 5.44 O ATOM 1244 OE2 GLU B 120 5.314 -7.510 6.683 1.00 14.10 O ATOM 0 H GLU B 120 7.583 -7.474 1.920 1.00 14.30 H new ATOM 0 HA GLU B 120 5.453 -6.977 3.720 1.00 43.00 H new ATOM 0 HB2 GLU B 120 6.848 -9.133 3.134 1.00 64.40 H new ATOM 0 HB3 GLU B 120 7.926 -8.564 4.394 1.00 64.40 H new ATOM 0 HG2 GLU B 120 4.957 -9.114 4.752 1.00 31.40 H new ATOM 0 HG3 GLU B 120 6.248 -10.205 5.214 1.00 31.40 H new ATOM 1251 N ARG B 121 8.459 -5.962 4.656 1.00 53.10 N ATOM 1252 CA ARG B 121 9.163 -5.082 5.582 1.00 70.00 C ATOM 1253 C ARG B 121 8.693 -3.640 5.425 1.00 71.20 C ATOM 1254 O ARG B 121 8.674 -2.874 6.388 1.00 14.20 O ATOM 1255 CB ARG B 121 10.672 -5.167 5.352 1.00 14.10 C ATOM 1256 CG ARG B 121 11.490 -5.037 6.627 1.00 21.00 C ATOM 1257 CD ARG B 121 11.977 -3.611 6.833 1.00 24.10 C ATOM 1258 NE ARG B 121 13.323 -3.569 7.400 1.00 2.43 N ATOM 1259 CZ ARG B 121 14.024 -2.449 7.561 1.00 22.50 C ATOM 1260 NH1 ARG B 121 13.512 -1.279 7.200 1.00 0.05 N ATOM 1261 NH2 ARG B 121 15.241 -2.499 8.085 1.00 14.40 N ATOM 0 H ARG B 121 9.059 -6.414 3.966 1.00 53.10 H new ATOM 0 HA ARG B 121 8.939 -5.410 6.597 1.00 70.00 H new ATOM 0 HB2 ARG B 121 10.905 -6.119 4.876 1.00 14.10 H new ATOM 0 HB3 ARG B 121 10.970 -4.382 4.657 1.00 14.10 H new ATOM 0 HG2 ARG B 121 10.886 -5.343 7.481 1.00 21.00 H new ATOM 0 HG3 ARG B 121 12.345 -5.712 6.583 1.00 21.00 H new ATOM 0 HD2 ARG B 121 11.969 -3.084 5.879 1.00 24.10 H new ATOM 0 HD3 ARG B 121 11.288 -3.085 7.494 1.00 24.10 H new ATOM 0 HE ARG B 121 13.750 -4.449 7.689 1.00 2.43 H new ATOM 0 HH11 ARG B 121 12.576 -1.234 6.797 1.00 0.05 H new ATOM 0 HH12 ARG B 121 14.054 -0.424 7.326 1.00 0.05 H new ATOM 0 HH21 ARG B 121 15.640 -3.395 8.364 1.00 14.40 H new ATOM 0 HH22 ARG B 121 15.779 -1.641 8.209 1.00 14.40 H new ATOM 1275 N GLN B 122 8.313 -3.276 4.204 1.00 65.20 N ATOM 1276 CA GLN B 122 7.843 -1.926 3.920 1.00 61.20 C ATOM 1277 C GLN B 122 6.595 -1.602 4.735 1.00 61.20 C ATOM 1278 O GLN B 122 6.497 -0.535 5.341 1.00 3.43 O ATOM 1279 CB GLN B 122 7.546 -1.770 2.428 1.00 64.30 C ATOM 1280 CG GLN B 122 8.792 -1.597 1.575 1.00 23.00 C ATOM 1281 CD GLN B 122 9.138 -0.140 1.338 1.00 40.40 C ATOM 1282 OE1 GLN B 122 9.812 0.491 2.153 1.00 52.50 O ATOM 1283 NE2 GLN B 122 8.679 0.404 0.217 1.00 1.30 N ATOM 0 H GLN B 122 8.322 -3.898 3.396 1.00 65.20 H new ATOM 0 HA GLN B 122 8.631 -1.227 4.201 1.00 61.20 H new ATOM 0 HB2 GLN B 122 6.997 -2.646 2.082 1.00 64.30 H new ATOM 0 HB3 GLN B 122 6.894 -0.908 2.284 1.00 64.30 H new ATOM 0 HG2 GLN B 122 9.633 -2.092 2.062 1.00 23.00 H new ATOM 0 HG3 GLN B 122 8.643 -2.092 0.615 1.00 23.00 H new ATOM 0 HE21 GLN B 122 8.124 -0.155 -0.431 1.00 1.30 H new ATOM 0 HE22 GLN B 122 8.881 1.381 0.004 1.00 1.30 H new ATOM 1292 N LEU B 123 5.645 -2.530 4.746 1.00 42.40 N ATOM 1293 CA LEU B 123 4.402 -2.344 5.488 1.00 72.20 C ATOM 1294 C LEU B 123 4.681 -2.152 6.975 1.00 41.10 C ATOM 1295 O LEU B 123 4.128 -1.254 7.610 1.00 10.10 O ATOM 1296 CB LEU B 123 3.474 -3.542 5.279 1.00 61.50 C ATOM 1297 CG LEU B 123 2.480 -3.398 4.126 1.00 2.31 C ATOM 1298 CD1 LEU B 123 3.209 -3.098 2.826 1.00 12.30 C ATOM 1299 CD2 LEU B 123 1.637 -4.658 3.990 1.00 24.50 C ATOM 0 H LEU B 123 5.711 -3.419 4.250 1.00 42.40 H new ATOM 0 HA LEU B 123 3.912 -1.446 5.110 1.00 72.20 H new ATOM 0 HB2 LEU B 123 4.084 -4.428 5.104 1.00 61.50 H new ATOM 0 HB3 LEU B 123 2.917 -3.715 6.200 1.00 61.50 H new ATOM 0 HG LEU B 123 1.816 -2.562 4.346 1.00 2.31 H new ATOM 0 HD11 LEU B 123 2.485 -2.999 2.017 1.00 12.30 H new ATOM 0 HD12 LEU B 123 3.768 -2.168 2.929 1.00 12.30 H new ATOM 0 HD13 LEU B 123 3.898 -3.912 2.599 1.00 12.30 H new ATOM 0 HD21 LEU B 123 0.935 -4.539 3.165 1.00 24.50 H new ATOM 0 HD22 LEU B 123 2.287 -5.511 3.793 1.00 24.50 H new ATOM 0 HD23 LEU B 123 1.085 -4.828 4.914 1.00 24.50 H new ATOM 1311 N LYS B 124 5.542 -3.003 7.525 1.00 54.20 N ATOM 1312 CA LYS B 124 5.894 -2.928 8.938 1.00 61.30 C ATOM 1313 C LYS B 124 6.651 -1.640 9.243 1.00 24.40 C ATOM 1314 O LYS B 124 6.553 -1.096 10.343 1.00 74.50 O ATOM 1315 CB LYS B 124 6.740 -4.138 9.339 1.00 13.50 C ATOM 1316 CG LYS B 124 6.768 -4.392 10.837 1.00 20.30 C ATOM 1317 CD LYS B 124 7.940 -3.686 11.501 1.00 55.50 C ATOM 1318 CE LYS B 124 7.866 -3.787 13.015 1.00 3.43 C ATOM 1319 NZ LYS B 124 7.168 -2.616 13.617 1.00 11.40 N ATOM 0 H LYS B 124 6.008 -3.752 7.013 1.00 54.20 H new ATOM 0 HA LYS B 124 4.971 -2.931 9.517 1.00 61.30 H new ATOM 0 HB2 LYS B 124 6.353 -5.024 8.836 1.00 13.50 H new ATOM 0 HB3 LYS B 124 7.760 -3.991 8.985 1.00 13.50 H new ATOM 0 HG2 LYS B 124 5.835 -4.048 11.283 1.00 20.30 H new ATOM 0 HG3 LYS B 124 6.834 -5.464 11.024 1.00 20.30 H new ATOM 0 HD2 LYS B 124 8.875 -4.124 11.151 1.00 55.50 H new ATOM 0 HD3 LYS B 124 7.949 -2.637 11.205 1.00 55.50 H new ATOM 0 HE2 LYS B 124 7.344 -4.703 13.293 1.00 3.43 H new ATOM 0 HE3 LYS B 124 8.874 -3.858 13.424 1.00 3.43 H new ATOM 0 HZ1 LYS B 124 7.139 -2.723 14.651 1.00 11.40 H new ATOM 0 HZ2 LYS B 124 7.680 -1.744 13.374 1.00 11.40 H new ATOM 0 HZ3 LYS B 124 6.198 -2.562 13.247 1.00 11.40 H new ATOM 1333 N ALA B 125 7.408 -1.158 8.262 1.00 41.30 N ATOM 1334 CA ALA B 125 8.182 0.067 8.425 1.00 31.50 C ATOM 1335 C ALA B 125 7.276 1.250 8.750 1.00 31.00 C ATOM 1336 O ALA B 125 7.513 1.979 9.714 1.00 22.50 O ATOM 1337 CB ALA B 125 8.992 0.350 7.169 1.00 41.40 C ATOM 0 H ALA B 125 7.502 -1.597 7.346 1.00 41.30 H new ATOM 0 HA ALA B 125 8.866 -0.074 9.262 1.00 31.50 H new ATOM 0 HB1 ALA B 125 9.565 1.267 7.305 1.00 41.40 H new ATOM 0 HB2 ALA B 125 9.674 -0.479 6.981 1.00 41.40 H new ATOM 0 HB3 ALA B 125 8.318 0.465 6.320 1.00 41.40 H new ATOM 1343 N LEU B 126 6.240 1.436 7.940 1.00 73.20 N ATOM 1344 CA LEU B 126 5.298 2.531 8.142 1.00 11.40 C ATOM 1345 C LEU B 126 4.493 2.327 9.421 1.00 43.50 C ATOM 1346 O LEU B 126 4.099 3.292 10.078 1.00 10.30 O ATOM 1347 CB LEU B 126 4.354 2.647 6.943 1.00 61.20 C ATOM 1348 CG LEU B 126 5.001 3.166 5.658 1.00 30.10 C ATOM 1349 CD1 LEU B 126 4.333 2.549 4.439 1.00 43.30 C ATOM 1350 CD2 LEU B 126 4.923 4.684 5.598 1.00 3.14 C ATOM 0 H LEU B 126 6.031 0.843 7.137 1.00 73.20 H new ATOM 0 HA LEU B 126 5.868 3.455 8.237 1.00 11.40 H new ATOM 0 HB2 LEU B 126 3.922 1.666 6.744 1.00 61.20 H new ATOM 0 HB3 LEU B 126 3.531 3.310 7.211 1.00 61.20 H new ATOM 0 HG LEU B 126 6.052 2.875 5.659 1.00 30.10 H new ATOM 0 HD11 LEU B 126 4.806 2.929 3.533 1.00 43.30 H new ATOM 0 HD12 LEU B 126 4.439 1.465 4.476 1.00 43.30 H new ATOM 0 HD13 LEU B 126 3.275 2.810 4.433 1.00 43.30 H new ATOM 0 HD21 LEU B 126 5.388 5.036 4.677 1.00 3.14 H new ATOM 0 HD22 LEU B 126 3.879 4.996 5.619 1.00 3.14 H new ATOM 0 HD23 LEU B 126 5.446 5.109 6.454 1.00 3.14 H new