USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=13 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 Single : A 10 ASN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 12 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.28) 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= -0.683 X(o=-0.68,f=-0.57) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.131 X(o=0.13,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.8 K(o=-0.8,f=-0.19) USER MOD Single : A 37 TYR OH : rot -15:sc= -0.454 USER MOD Single : A 38 GLN : amide:sc= -2.19 X(o=-2.2,f=-2.3!) USER MOD Single : A 39 HIS : no HD1:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 42 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.3) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.0088) USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= 0.31 (180deg=-1.16!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.025) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -144:sc= -0.56 (180deg=-2.39!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 60 SER OG : rot 75:sc= 0.0793 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 78:sc= -1.31 USER MOD Single : A 66 THR OG1 : rot 74:sc= -0.69 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -159:sc= -0.0288 (180deg=-0.279) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : B 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -12.134 -8.905 3.124 1.00 33.20 N ATOM 2 CA ASN A 10 -10.968 -8.037 3.204 1.00 51.10 C ATOM 3 C ASN A 10 -10.498 -7.617 1.816 1.00 60.30 C ATOM 4 O ASN A 10 -9.974 -6.520 1.633 1.00 43.20 O ATOM 5 CB ASN A 10 -9.833 -8.745 3.946 1.00 4.35 C ATOM 6 CG ASN A 10 -10.001 -8.684 5.452 1.00 34.40 C ATOM 7 OD1 ASN A 10 -11.083 -8.945 5.979 1.00 72.40 O ATOM 8 ND2 ASN A 10 -8.927 -8.339 6.153 1.00 31.10 N ATOM 0 HA ASN A 10 -11.253 -7.140 3.754 1.00 51.10 H new ATOM 0 HB2 ASN A 10 -9.790 -9.787 3.630 1.00 4.35 H new ATOM 0 HB3 ASN A 10 -8.882 -8.289 3.670 1.00 4.35 H new ATOM 0 HD21 ASN A 10 -8.979 -8.282 7.170 1.00 31.10 H new ATOM 0 HD22 ASN A 10 -8.051 -8.131 5.674 1.00 31.10 H new ATOM 15 N LEU A 11 -10.689 -8.495 0.841 1.00 31.50 N ATOM 16 CA LEU A 11 -10.288 -8.216 -0.534 1.00 15.30 C ATOM 17 C LEU A 11 -11.004 -6.981 -1.070 1.00 61.10 C ATOM 18 O LEU A 11 -10.420 -6.172 -1.790 1.00 34.20 O ATOM 19 CB LEU A 11 -10.568 -9.422 -1.432 1.00 4.05 C ATOM 20 CG LEU A 11 -12.046 -9.700 -1.701 1.00 70.20 C ATOM 21 CD1 LEU A 11 -12.531 -8.895 -2.896 1.00 51.30 C ATOM 22 CD2 LEU A 11 -12.275 -11.189 -1.929 1.00 61.40 C ATOM 0 H LEU A 11 -11.120 -9.409 0.976 1.00 31.50 H new ATOM 0 HA LEU A 11 -9.216 -8.020 -0.538 1.00 15.30 H new ATOM 0 HB2 LEU A 11 -10.063 -9.270 -2.386 1.00 4.05 H new ATOM 0 HB3 LEU A 11 -10.125 -10.307 -0.975 1.00 4.05 H new ATOM 0 HG LEU A 11 -12.620 -9.394 -0.826 1.00 70.20 H new ATOM 0 HD11 LEU A 11 -13.586 -9.106 -3.073 1.00 51.30 H new ATOM 0 HD12 LEU A 11 -12.402 -7.832 -2.695 1.00 51.30 H new ATOM 0 HD13 LEU A 11 -11.953 -9.170 -3.778 1.00 51.30 H new ATOM 0 HD21 LEU A 11 -13.333 -11.369 -2.119 1.00 61.40 H new ATOM 0 HD22 LEU A 11 -11.690 -11.520 -2.787 1.00 61.40 H new ATOM 0 HD23 LEU A 11 -11.966 -11.744 -1.044 1.00 61.40 H new ATOM 34 N GLN A 12 -12.278 -6.845 -0.713 1.00 31.30 N ATOM 35 CA GLN A 12 -13.080 -5.712 -1.160 1.00 4.14 C ATOM 36 C GLN A 12 -12.481 -4.398 -0.681 1.00 1.51 C ATOM 37 O GLN A 12 -12.522 -3.387 -1.384 1.00 24.20 O ATOM 38 CB GLN A 12 -14.520 -5.847 -0.654 1.00 73.00 C ATOM 39 CG GLN A 12 -15.447 -4.763 -1.172 1.00 14.20 C ATOM 40 CD GLN A 12 -16.623 -4.507 -0.247 1.00 13.40 C ATOM 41 OE1 GLN A 12 -17.766 -4.807 -0.573 1.00 42.30 O ATOM 42 NE2 GLN A 12 -16.337 -3.944 0.922 1.00 64.30 N ATOM 0 H GLN A 12 -12.776 -7.505 -0.116 1.00 31.30 H new ATOM 0 HA GLN A 12 -13.084 -5.710 -2.250 1.00 4.14 H new ATOM 0 HB2 GLN A 12 -14.911 -6.820 -0.950 1.00 73.00 H new ATOM 0 HB3 GLN A 12 -14.518 -5.822 0.436 1.00 73.00 H new ATOM 0 HG2 GLN A 12 -14.883 -3.839 -1.300 1.00 14.20 H new ATOM 0 HG3 GLN A 12 -15.819 -5.048 -2.156 1.00 14.20 H new ATOM 0 HE21 GLN A 12 -15.371 -3.711 1.153 1.00 64.30 H new ATOM 0 HE22 GLN A 12 -17.083 -3.745 1.588 1.00 64.30 H new ATOM 51 N LYS A 13 -11.916 -4.414 0.523 1.00 21.20 N ATOM 52 CA LYS A 13 -11.308 -3.224 1.097 1.00 64.20 C ATOM 53 C LYS A 13 -9.939 -2.963 0.478 1.00 74.10 C ATOM 54 O LYS A 13 -9.516 -1.815 0.344 1.00 53.40 O ATOM 55 CB LYS A 13 -11.175 -3.375 2.613 1.00 14.20 C ATOM 56 CG LYS A 13 -12.473 -3.130 3.364 1.00 72.30 C ATOM 57 CD LYS A 13 -13.202 -4.430 3.656 1.00 52.30 C ATOM 58 CE LYS A 13 -14.673 -4.188 3.932 1.00 30.40 C ATOM 59 NZ LYS A 13 -15.196 -5.095 4.993 1.00 63.10 N ATOM 0 H LYS A 13 -11.868 -5.241 1.119 1.00 21.20 H new ATOM 0 HA LYS A 13 -11.954 -2.374 0.880 1.00 64.20 H new ATOM 0 HB2 LYS A 13 -10.818 -4.379 2.840 1.00 14.20 H new ATOM 0 HB3 LYS A 13 -10.419 -2.678 2.974 1.00 14.20 H new ATOM 0 HG2 LYS A 13 -12.261 -2.613 4.300 1.00 72.30 H new ATOM 0 HG3 LYS A 13 -13.116 -2.475 2.776 1.00 72.30 H new ATOM 0 HD2 LYS A 13 -13.096 -5.107 2.808 1.00 52.30 H new ATOM 0 HD3 LYS A 13 -12.745 -4.921 4.515 1.00 52.30 H new ATOM 0 HE2 LYS A 13 -14.820 -3.152 4.236 1.00 30.40 H new ATOM 0 HE3 LYS A 13 -15.243 -4.335 3.015 1.00 30.40 H new ATOM 0 HZ1 LYS A 13 -16.205 -4.898 5.152 1.00 63.10 H new ATOM 0 HZ2 LYS A 13 -15.080 -6.084 4.693 1.00 63.10 H new ATOM 0 HZ3 LYS A 13 -14.669 -4.937 5.876 1.00 63.10 H new ATOM 73 N ALA A 14 -9.249 -4.036 0.104 1.00 71.30 N ATOM 74 CA ALA A 14 -7.928 -3.922 -0.500 1.00 3.41 C ATOM 75 C ALA A 14 -7.982 -3.114 -1.791 1.00 2.05 C ATOM 76 O ALA A 14 -7.193 -2.191 -1.991 1.00 74.20 O ATOM 77 CB ALA A 14 -7.348 -5.305 -0.765 1.00 63.10 C ATOM 0 H ALA A 14 -9.584 -4.994 0.209 1.00 71.30 H new ATOM 0 HA ALA A 14 -7.280 -3.395 0.200 1.00 3.41 H new ATOM 0 HB1 ALA A 14 -6.361 -5.205 -1.216 1.00 63.10 H new ATOM 0 HB2 ALA A 14 -7.264 -5.850 0.175 1.00 63.10 H new ATOM 0 HB3 ALA A 14 -8.004 -5.851 -1.444 1.00 63.10 H new ATOM 83 N ILE A 15 -8.918 -3.468 -2.666 1.00 52.00 N ATOM 84 CA ILE A 15 -9.075 -2.774 -3.939 1.00 25.40 C ATOM 85 C ILE A 15 -9.694 -1.395 -3.741 1.00 64.50 C ATOM 86 O ILE A 15 -9.285 -0.423 -4.376 1.00 23.20 O ATOM 87 CB ILE A 15 -9.949 -3.579 -4.911 1.00 51.20 C ATOM 88 CG1 ILE A 15 -9.474 -5.031 -4.977 1.00 61.30 C ATOM 89 CG2 ILE A 15 -9.931 -2.947 -6.297 1.00 21.10 C ATOM 90 CD1 ILE A 15 -8.027 -5.176 -5.395 1.00 52.10 C ATOM 0 H ILE A 15 -9.579 -4.231 -2.517 1.00 52.00 H new ATOM 0 HA ILE A 15 -8.077 -2.664 -4.364 1.00 25.40 H new ATOM 0 HB ILE A 15 -10.975 -3.567 -4.543 1.00 51.20 H new ATOM 0 HG12 ILE A 15 -9.609 -5.494 -3.999 1.00 61.30 H new ATOM 0 HG13 ILE A 15 -10.103 -5.579 -5.679 1.00 61.30 H new ATOM 0 HG21 ILE A 15 -10.556 -3.532 -6.972 1.00 21.10 H new ATOM 0 HG22 ILE A 15 -10.315 -1.929 -6.238 1.00 21.10 H new ATOM 0 HG23 ILE A 15 -8.909 -2.928 -6.675 1.00 21.10 H new ATOM 0 HD11 ILE A 15 -7.760 -6.232 -5.420 1.00 52.10 H new ATOM 0 HD12 ILE A 15 -7.889 -4.743 -6.386 1.00 52.10 H new ATOM 0 HD13 ILE A 15 -7.388 -4.657 -4.681 1.00 52.10 H new ATOM 102 N ASP A 16 -10.676 -1.313 -2.851 1.00 22.20 N ATOM 103 CA ASP A 16 -11.355 -0.055 -2.571 1.00 74.00 C ATOM 104 C ASP A 16 -10.392 0.950 -1.946 1.00 2.34 C ATOM 105 O ASP A 16 -10.435 2.141 -2.253 1.00 63.10 O ATOM 106 CB ASP A 16 -12.545 -0.286 -1.638 1.00 53.40 C ATOM 107 CG ASP A 16 -13.831 -0.546 -2.395 1.00 70.00 C ATOM 108 OD1 ASP A 16 -13.982 0.002 -3.505 1.00 33.20 O ATOM 109 OD2 ASP A 16 -14.682 -1.296 -1.876 1.00 45.50 O ATOM 0 H ASP A 16 -11.020 -2.106 -2.310 1.00 22.20 H new ATOM 0 HA ASP A 16 -11.719 0.351 -3.515 1.00 74.00 H new ATOM 0 HB2 ASP A 16 -12.333 -1.133 -0.986 1.00 53.40 H new ATOM 0 HB3 ASP A 16 -12.674 0.585 -0.996 1.00 53.40 H new ATOM 114 N LEU A 17 -9.523 0.460 -1.067 1.00 52.40 N ATOM 115 CA LEU A 17 -8.549 1.315 -0.398 1.00 72.50 C ATOM 116 C LEU A 17 -7.490 1.805 -1.381 1.00 23.00 C ATOM 117 O LEU A 17 -7.201 2.999 -1.453 1.00 32.40 O ATOM 118 CB LEU A 17 -7.882 0.560 0.753 1.00 5.53 C ATOM 119 CG LEU A 17 -8.745 0.397 2.005 1.00 11.20 C ATOM 120 CD1 LEU A 17 -8.100 -0.582 2.974 1.00 23.40 C ATOM 121 CD2 LEU A 17 -8.968 1.744 2.677 1.00 30.40 C ATOM 0 H LEU A 17 -9.474 -0.524 -0.802 1.00 52.40 H new ATOM 0 HA LEU A 17 -9.077 2.181 0.002 1.00 72.50 H new ATOM 0 HB2 LEU A 17 -7.592 -0.429 0.399 1.00 5.53 H new ATOM 0 HB3 LEU A 17 -6.965 1.082 1.027 1.00 5.53 H new ATOM 0 HG LEU A 17 -9.714 -0.004 1.706 1.00 11.20 H new ATOM 0 HD11 LEU A 17 -8.728 -0.685 3.859 1.00 23.40 H new ATOM 0 HD12 LEU A 17 -7.991 -1.553 2.491 1.00 23.40 H new ATOM 0 HD13 LEU A 17 -7.118 -0.210 3.267 1.00 23.40 H new ATOM 0 HD21 LEU A 17 -9.584 1.609 3.566 1.00 30.40 H new ATOM 0 HD22 LEU A 17 -8.007 2.172 2.963 1.00 30.40 H new ATOM 0 HD23 LEU A 17 -9.473 2.417 1.984 1.00 30.40 H new ATOM 133 N ALA A 18 -6.915 0.875 -2.137 1.00 54.10 N ATOM 134 CA ALA A 18 -5.888 1.211 -3.115 1.00 0.15 C ATOM 135 C ALA A 18 -6.422 2.187 -4.158 1.00 74.20 C ATOM 136 O ALA A 18 -5.678 3.012 -4.689 1.00 35.30 O ATOM 137 CB ALA A 18 -5.368 -0.049 -3.788 1.00 10.10 C ATOM 0 H ALA A 18 -7.144 -0.118 -2.090 1.00 54.10 H new ATOM 0 HA ALA A 18 -5.065 1.695 -2.589 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -4.602 0.217 -4.516 1.00 10.10 H new ATOM 0 HB2 ALA A 18 -4.940 -0.713 -3.037 1.00 10.10 H new ATOM 0 HB3 ALA A 18 -6.189 -0.556 -4.295 1.00 10.10 H new ATOM 143 N SER A 19 -7.716 2.089 -4.446 1.00 53.30 N ATOM 144 CA SER A 19 -8.350 2.963 -5.425 1.00 50.40 C ATOM 145 C SER A 19 -8.533 4.368 -4.862 1.00 2.44 C ATOM 146 O SER A 19 -8.335 5.360 -5.563 1.00 34.30 O ATOM 147 CB SER A 19 -9.703 2.391 -5.851 1.00 21.40 C ATOM 148 OG SER A 19 -10.179 3.025 -7.026 1.00 43.30 O ATOM 0 H SER A 19 -8.346 1.412 -4.015 1.00 53.30 H new ATOM 0 HA SER A 19 -7.699 3.023 -6.297 1.00 50.40 H new ATOM 0 HB2 SER A 19 -9.609 1.319 -6.025 1.00 21.40 H new ATOM 0 HB3 SER A 19 -10.426 2.521 -5.046 1.00 21.40 H new ATOM 0 HG SER A 19 -11.044 2.640 -7.278 1.00 43.30 H new ATOM 154 N LYS A 20 -8.914 4.445 -3.591 1.00 51.30 N ATOM 155 CA LYS A 20 -9.124 5.730 -2.933 1.00 32.30 C ATOM 156 C LYS A 20 -7.795 6.432 -2.671 1.00 23.00 C ATOM 157 O LYS A 20 -7.700 7.655 -2.762 1.00 55.10 O ATOM 158 CB LYS A 20 -9.878 5.534 -1.615 1.00 43.50 C ATOM 159 CG LYS A 20 -10.635 6.769 -1.160 1.00 12.30 C ATOM 160 CD LYS A 20 -12.092 6.722 -1.594 1.00 30.40 C ATOM 161 CE LYS A 20 -12.627 8.112 -1.899 1.00 22.30 C ATOM 162 NZ LYS A 20 -13.954 8.060 -2.572 1.00 33.10 N ATOM 0 H LYS A 20 -9.084 3.634 -2.996 1.00 51.30 H new ATOM 0 HA LYS A 20 -9.720 6.356 -3.597 1.00 32.30 H new ATOM 0 HB2 LYS A 20 -10.580 4.708 -1.727 1.00 43.50 H new ATOM 0 HB3 LYS A 20 -9.168 5.246 -0.839 1.00 43.50 H new ATOM 0 HG2 LYS A 20 -10.580 6.851 -0.074 1.00 12.30 H new ATOM 0 HG3 LYS A 20 -10.160 7.660 -1.571 1.00 12.30 H new ATOM 0 HD2 LYS A 20 -12.189 6.091 -2.478 1.00 30.40 H new ATOM 0 HD3 LYS A 20 -12.692 6.264 -0.808 1.00 30.40 H new ATOM 0 HE2 LYS A 20 -12.712 8.680 -0.972 1.00 22.30 H new ATOM 0 HE3 LYS A 20 -11.918 8.643 -2.534 1.00 22.30 H new ATOM 0 HZ1 LYS A 20 -14.285 9.027 -2.763 1.00 33.10 H new ATOM 0 HZ2 LYS A 20 -13.868 7.540 -3.469 1.00 33.10 H new ATOM 0 HZ3 LYS A 20 -14.637 7.576 -1.955 1.00 33.10 H new ATOM 176 N ALA A 21 -6.771 5.648 -2.348 1.00 21.50 N ATOM 177 CA ALA A 21 -5.448 6.194 -2.074 1.00 13.50 C ATOM 178 C ALA A 21 -4.904 6.949 -3.283 1.00 71.30 C ATOM 179 O ALA A 21 -4.518 8.112 -3.178 1.00 44.10 O ATOM 180 CB ALA A 21 -4.492 5.083 -1.669 1.00 40.20 C ATOM 0 H ALA A 21 -6.833 4.633 -2.270 1.00 21.50 H new ATOM 0 HA ALA A 21 -5.537 6.900 -1.248 1.00 13.50 H new ATOM 0 HB1 ALA A 21 -3.508 5.506 -1.467 1.00 40.20 H new ATOM 0 HB2 ALA A 21 -4.866 4.590 -0.772 1.00 40.20 H new ATOM 0 HB3 ALA A 21 -4.416 4.356 -2.477 1.00 40.20 H new ATOM 186 N ALA A 22 -4.877 6.278 -4.429 1.00 75.50 N ATOM 187 CA ALA A 22 -4.381 6.884 -5.659 1.00 61.00 C ATOM 188 C ALA A 22 -5.238 8.077 -6.067 1.00 70.10 C ATOM 189 O ALA A 22 -4.746 9.031 -6.667 1.00 10.40 O ATOM 190 CB ALA A 22 -4.341 5.854 -6.777 1.00 74.30 C ATOM 0 H ALA A 22 -5.193 5.314 -4.532 1.00 75.50 H new ATOM 0 HA ALA A 22 -3.368 7.243 -5.475 1.00 61.00 H new ATOM 0 HB1 ALA A 22 -3.969 6.321 -7.689 1.00 74.30 H new ATOM 0 HB2 ALA A 22 -3.681 5.035 -6.493 1.00 74.30 H new ATOM 0 HB3 ALA A 22 -5.345 5.467 -6.951 1.00 74.30 H new ATOM 196 N GLN A 23 -6.524 8.016 -5.737 1.00 32.00 N ATOM 197 CA GLN A 23 -7.451 9.091 -6.069 1.00 61.40 C ATOM 198 C GLN A 23 -7.090 10.371 -5.321 1.00 4.45 C ATOM 199 O GLN A 23 -7.311 11.476 -5.819 1.00 63.10 O ATOM 200 CB GLN A 23 -8.886 8.678 -5.735 1.00 33.10 C ATOM 201 CG GLN A 23 -9.940 9.521 -6.433 1.00 53.50 C ATOM 202 CD GLN A 23 -10.506 10.607 -5.538 1.00 41.50 C ATOM 203 OE1 GLN A 23 -11.478 10.388 -4.817 1.00 62.40 O ATOM 204 NE2 GLN A 23 -9.896 11.786 -5.582 1.00 62.30 N ATOM 0 H GLN A 23 -6.948 7.233 -5.240 1.00 32.00 H new ATOM 0 HA GLN A 23 -7.376 9.284 -7.139 1.00 61.40 H new ATOM 0 HB2 GLN A 23 -9.028 7.633 -6.010 1.00 33.10 H new ATOM 0 HB3 GLN A 23 -9.033 8.746 -4.657 1.00 33.10 H new ATOM 0 HG2 GLN A 23 -9.504 9.978 -7.321 1.00 53.50 H new ATOM 0 HG3 GLN A 23 -10.750 8.875 -6.772 1.00 53.50 H new ATOM 0 HE21 GLN A 23 -9.093 11.922 -6.196 1.00 62.30 H new ATOM 0 HE22 GLN A 23 -10.231 12.555 -5.002 1.00 62.30 H new ATOM 213 N GLU A 24 -6.536 10.215 -4.124 1.00 61.40 N ATOM 214 CA GLU A 24 -6.146 11.358 -3.307 1.00 70.50 C ATOM 215 C GLU A 24 -4.872 12.003 -3.846 1.00 74.10 C ATOM 216 O GLU A 24 -4.734 13.225 -3.844 1.00 4.22 O ATOM 217 CB GLU A 24 -5.938 10.927 -1.855 1.00 34.40 C ATOM 218 CG GLU A 24 -7.217 10.494 -1.158 1.00 30.30 C ATOM 219 CD GLU A 24 -8.311 11.540 -1.245 1.00 60.20 C ATOM 220 OE1 GLU A 24 -7.984 12.725 -1.464 1.00 32.20 O ATOM 221 OE2 GLU A 24 -9.496 11.175 -1.092 1.00 3.35 O ATOM 0 H GLU A 24 -6.347 9.308 -3.698 1.00 61.40 H new ATOM 0 HA GLU A 24 -6.950 12.093 -3.348 1.00 70.50 H new ATOM 0 HB2 GLU A 24 -5.223 10.104 -1.828 1.00 34.40 H new ATOM 0 HB3 GLU A 24 -5.494 11.753 -1.300 1.00 34.40 H new ATOM 0 HG2 GLU A 24 -7.572 9.564 -1.603 1.00 30.30 H new ATOM 0 HG3 GLU A 24 -7.002 10.284 -0.110 1.00 30.30 H new ATOM 228 N ASP A 25 -3.944 11.170 -4.307 1.00 63.20 N ATOM 229 CA ASP A 25 -2.681 11.659 -4.849 1.00 54.20 C ATOM 230 C ASP A 25 -2.922 12.586 -6.036 1.00 51.40 C ATOM 231 O ASP A 25 -2.247 13.604 -6.188 1.00 74.30 O ATOM 232 CB ASP A 25 -1.796 10.486 -5.276 1.00 52.00 C ATOM 233 CG ASP A 25 -0.378 10.916 -5.592 1.00 35.30 C ATOM 234 OD1 ASP A 25 -0.175 11.568 -6.638 1.00 13.30 O ATOM 235 OD2 ASP A 25 0.530 10.601 -4.796 1.00 71.40 O ATOM 0 H ASP A 25 -4.043 10.155 -4.316 1.00 63.20 H new ATOM 0 HA ASP A 25 -2.173 12.223 -4.067 1.00 54.20 H new ATOM 0 HB2 ASP A 25 -1.778 9.740 -4.481 1.00 52.00 H new ATOM 0 HB3 ASP A 25 -2.231 10.007 -6.153 1.00 52.00 H new ATOM 240 N LYS A 26 -3.889 12.228 -6.874 1.00 32.20 N ATOM 241 CA LYS A 26 -4.220 13.028 -8.047 1.00 1.42 C ATOM 242 C LYS A 26 -5.115 14.204 -7.667 1.00 14.10 C ATOM 243 O LYS A 26 -5.060 15.265 -8.289 1.00 22.40 O ATOM 244 CB LYS A 26 -4.913 12.164 -9.101 1.00 35.30 C ATOM 245 CG LYS A 26 -3.952 11.515 -10.084 1.00 71.10 C ATOM 246 CD LYS A 26 -3.616 12.450 -11.234 1.00 10.10 C ATOM 247 CE LYS A 26 -2.283 13.147 -11.015 1.00 31.40 C ATOM 248 NZ LYS A 26 -1.848 13.905 -12.221 1.00 4.31 N ATOM 0 H LYS A 26 -4.457 11.388 -6.762 1.00 32.20 H new ATOM 0 HA LYS A 26 -3.292 13.420 -8.463 1.00 1.42 H new ATOM 0 HB2 LYS A 26 -5.488 11.385 -8.600 1.00 35.30 H new ATOM 0 HB3 LYS A 26 -5.624 12.779 -9.653 1.00 35.30 H new ATOM 0 HG2 LYS A 26 -3.036 11.231 -9.565 1.00 71.10 H new ATOM 0 HG3 LYS A 26 -4.394 10.599 -10.476 1.00 71.10 H new ATOM 0 HD2 LYS A 26 -3.584 11.885 -12.166 1.00 10.10 H new ATOM 0 HD3 LYS A 26 -4.404 13.195 -11.340 1.00 10.10 H new ATOM 0 HE2 LYS A 26 -2.364 13.828 -10.168 1.00 31.40 H new ATOM 0 HE3 LYS A 26 -1.525 12.408 -10.758 1.00 31.40 H new ATOM 0 HZ1 LYS A 26 -0.935 14.366 -12.031 1.00 4.31 H new ATOM 0 HZ2 LYS A 26 -1.746 13.251 -13.024 1.00 4.31 H new ATOM 0 HZ3 LYS A 26 -2.559 14.628 -12.452 1.00 4.31 H new ATOM 262 N ALA A 27 -5.938 14.006 -6.642 1.00 3.42 N ATOM 263 CA ALA A 27 -6.845 15.050 -6.179 1.00 5.42 C ATOM 264 C ALA A 27 -6.074 16.218 -5.574 1.00 3.24 C ATOM 265 O ALA A 27 -6.145 17.344 -6.066 1.00 54.50 O ATOM 266 CB ALA A 27 -7.828 14.483 -5.166 1.00 52.30 C ATOM 0 H ALA A 27 -5.995 13.133 -6.117 1.00 3.42 H new ATOM 0 HA ALA A 27 -7.401 15.422 -7.040 1.00 5.42 H new ATOM 0 HB1 ALA A 27 -8.499 15.273 -4.829 1.00 52.30 H new ATOM 0 HB2 ALA A 27 -8.410 13.686 -5.630 1.00 52.30 H new ATOM 0 HB3 ALA A 27 -7.281 14.083 -4.313 1.00 52.30 H new ATOM 272 N GLY A 28 -5.336 15.943 -4.503 1.00 1.52 N ATOM 273 CA GLY A 28 -4.563 16.981 -3.849 1.00 3.12 C ATOM 274 C GLY A 28 -4.253 16.653 -2.401 1.00 30.20 C ATOM 275 O GLY A 28 -3.261 17.129 -1.849 1.00 71.10 O ATOM 0 H GLY A 28 -5.260 15.019 -4.077 1.00 1.52 H new ATOM 0 HA2 GLY A 28 -3.630 17.130 -4.392 1.00 3.12 H new ATOM 0 HA3 GLY A 28 -5.112 17.921 -3.895 1.00 3.12 H new ATOM 279 N ASN A 29 -5.106 15.840 -1.783 1.00 30.20 N ATOM 280 CA ASN A 29 -4.917 15.452 -0.390 1.00 20.20 C ATOM 281 C ASN A 29 -3.789 14.433 -0.257 1.00 23.10 C ATOM 282 O ASN A 29 -4.013 13.227 -0.356 1.00 11.40 O ATOM 283 CB ASN A 29 -6.213 14.872 0.179 1.00 72.00 C ATOM 284 CG ASN A 29 -7.367 15.852 0.102 1.00 0.03 C ATOM 285 OD1 ASN A 29 -7.489 16.752 0.934 1.00 4.20 O ATOM 286 ND2 ASN A 29 -8.222 15.682 -0.899 1.00 43.30 N ATOM 0 H ASN A 29 -5.933 15.438 -2.225 1.00 30.20 H new ATOM 0 HA ASN A 29 -4.646 16.343 0.176 1.00 20.20 H new ATOM 0 HB2 ASN A 29 -6.473 13.965 -0.367 1.00 72.00 H new ATOM 0 HB3 ASN A 29 -6.053 14.584 1.218 1.00 72.00 H new ATOM 0 HD21 ASN A 29 -9.019 16.311 -1.002 1.00 43.30 H new ATOM 0 HD22 ASN A 29 -8.082 14.923 -1.566 1.00 43.30 H new ATOM 293 N TYR A 30 -2.576 14.927 -0.031 1.00 52.00 N ATOM 294 CA TYR A 30 -1.414 14.060 0.117 1.00 61.40 C ATOM 295 C TYR A 30 -1.509 13.239 1.400 1.00 12.50 C ATOM 296 O TYR A 30 -1.361 12.018 1.379 1.00 74.40 O ATOM 297 CB TYR A 30 -0.129 14.889 0.122 1.00 62.10 C ATOM 298 CG TYR A 30 0.032 15.764 -1.100 1.00 74.10 C ATOM 299 CD1 TYR A 30 -0.312 15.298 -2.363 1.00 11.00 C ATOM 300 CD2 TYR A 30 0.527 17.058 -0.991 1.00 53.30 C ATOM 301 CE1 TYR A 30 -0.166 16.095 -3.483 1.00 74.30 C ATOM 302 CE2 TYR A 30 0.675 17.861 -2.105 1.00 34.20 C ATOM 303 CZ TYR A 30 0.328 17.376 -3.348 1.00 64.40 C ATOM 304 OH TYR A 30 0.474 18.172 -4.460 1.00 23.20 O ATOM 0 H TYR A 30 -2.373 15.923 0.054 1.00 52.00 H new ATOM 0 HA TYR A 30 -1.392 13.376 -0.731 1.00 61.40 H new ATOM 0 HB2 TYR A 30 -0.115 15.517 1.013 1.00 62.10 H new ATOM 0 HB3 TYR A 30 0.726 14.217 0.193 1.00 62.10 H new ATOM 0 HD1 TYR A 30 -0.700 14.296 -2.472 1.00 11.00 H new ATOM 0 HD2 TYR A 30 0.800 17.442 -0.019 1.00 53.30 H new ATOM 0 HE1 TYR A 30 -0.437 15.717 -4.458 1.00 74.30 H new ATOM 0 HE2 TYR A 30 1.061 18.865 -2.003 1.00 34.20 H new ATOM 0 HH TYR A 30 0.833 19.044 -4.193 1.00 23.20 H new ATOM 314 N GLU A 31 -1.757 13.920 2.515 1.00 14.20 N ATOM 315 CA GLU A 31 -1.874 13.254 3.806 1.00 72.40 C ATOM 316 C GLU A 31 -2.987 12.212 3.779 1.00 72.30 C ATOM 317 O GLU A 31 -2.911 11.188 4.457 1.00 30.20 O ATOM 318 CB GLU A 31 -2.143 14.279 4.909 1.00 60.10 C ATOM 319 CG GLU A 31 -1.461 13.949 6.226 1.00 3.24 C ATOM 320 CD GLU A 31 -2.387 13.253 7.204 1.00 72.10 C ATOM 321 OE1 GLU A 31 -3.193 13.950 7.857 1.00 65.40 O ATOM 322 OE2 GLU A 31 -2.308 12.011 7.318 1.00 11.40 O ATOM 0 H GLU A 31 -1.881 14.932 2.549 1.00 14.20 H new ATOM 0 HA GLU A 31 -0.932 12.747 4.014 1.00 72.40 H new ATOM 0 HB2 GLU A 31 -1.808 15.260 4.572 1.00 60.10 H new ATOM 0 HB3 GLU A 31 -3.218 14.349 5.074 1.00 60.10 H new ATOM 0 HG2 GLU A 31 -0.597 13.313 6.034 1.00 3.24 H new ATOM 0 HG3 GLU A 31 -1.086 14.868 6.677 1.00 3.24 H new ATOM 329 N GLU A 32 -4.021 12.482 2.987 1.00 44.40 N ATOM 330 CA GLU A 32 -5.151 11.569 2.868 1.00 44.20 C ATOM 331 C GLU A 32 -4.765 10.335 2.056 1.00 74.20 C ATOM 332 O GLU A 32 -5.208 9.225 2.348 1.00 21.20 O ATOM 333 CB GLU A 32 -6.337 12.277 2.210 1.00 10.40 C ATOM 334 CG GLU A 32 -7.569 11.399 2.067 1.00 12.30 C ATOM 335 CD GLU A 32 -8.431 11.396 3.313 1.00 1.53 C ATOM 336 OE1 GLU A 32 -9.077 12.428 3.591 1.00 44.40 O ATOM 337 OE2 GLU A 32 -8.460 10.361 4.013 1.00 21.10 O ATOM 0 H GLU A 32 -4.099 13.326 2.419 1.00 44.40 H new ATOM 0 HA GLU A 32 -5.439 11.249 3.870 1.00 44.20 H new ATOM 0 HB2 GLU A 32 -6.595 13.157 2.798 1.00 10.40 H new ATOM 0 HB3 GLU A 32 -6.037 12.630 1.223 1.00 10.40 H new ATOM 0 HG2 GLU A 32 -8.162 11.746 1.221 1.00 12.30 H new ATOM 0 HG3 GLU A 32 -7.259 10.379 1.842 1.00 12.30 H new ATOM 344 N ALA A 33 -3.938 10.541 1.037 1.00 53.50 N ATOM 345 CA ALA A 33 -3.490 9.447 0.183 1.00 55.40 C ATOM 346 C ALA A 33 -2.502 8.547 0.918 1.00 42.00 C ATOM 347 O ALA A 33 -2.513 7.328 0.747 1.00 4.32 O ATOM 348 CB ALA A 33 -2.861 9.995 -1.089 1.00 23.30 C ATOM 0 H ALA A 33 -3.564 11.455 0.782 1.00 53.50 H new ATOM 0 HA ALA A 33 -4.360 8.847 -0.084 1.00 55.40 H new ATOM 0 HB1 ALA A 33 -2.531 9.168 -1.717 1.00 23.30 H new ATOM 0 HB2 ALA A 33 -3.595 10.591 -1.630 1.00 23.30 H new ATOM 0 HB3 ALA A 33 -2.005 10.619 -0.832 1.00 23.30 H new ATOM 354 N LEU A 34 -1.651 9.157 1.737 1.00 23.20 N ATOM 355 CA LEU A 34 -0.657 8.411 2.499 1.00 62.40 C ATOM 356 C LEU A 34 -1.326 7.404 3.429 1.00 54.10 C ATOM 357 O LEU A 34 -0.992 6.220 3.422 1.00 54.30 O ATOM 358 CB LEU A 34 0.218 9.369 3.311 1.00 44.40 C ATOM 359 CG LEU A 34 1.677 8.940 3.465 1.00 72.30 C ATOM 360 CD1 LEU A 34 2.434 9.925 4.342 1.00 0.21 C ATOM 361 CD2 LEU A 34 1.761 7.535 4.045 1.00 10.50 C ATOM 0 H LEU A 34 -1.630 10.165 1.890 1.00 23.20 H new ATOM 0 HA LEU A 34 -0.030 7.866 1.794 1.00 62.40 H new ATOM 0 HB2 LEU A 34 0.192 10.350 2.837 1.00 44.40 H new ATOM 0 HB3 LEU A 34 -0.218 9.482 4.303 1.00 44.40 H new ATOM 0 HG LEU A 34 2.139 8.934 2.478 1.00 72.30 H new ATOM 0 HD11 LEU A 34 3.471 9.603 4.440 1.00 0.21 H new ATOM 0 HD12 LEU A 34 2.403 10.915 3.887 1.00 0.21 H new ATOM 0 HD13 LEU A 34 1.971 9.964 5.328 1.00 0.21 H new ATOM 0 HD21 LEU A 34 2.807 7.246 4.148 1.00 10.50 H new ATOM 0 HD22 LEU A 34 1.281 7.516 5.024 1.00 10.50 H new ATOM 0 HD23 LEU A 34 1.255 6.836 3.379 1.00 10.50 H new ATOM 373 N GLN A 35 -2.275 7.884 4.228 1.00 73.30 N ATOM 374 CA GLN A 35 -2.991 7.026 5.163 1.00 75.20 C ATOM 375 C GLN A 35 -3.728 5.912 4.425 1.00 2.43 C ATOM 376 O GLN A 35 -3.692 4.753 4.836 1.00 64.10 O ATOM 377 CB GLN A 35 -3.984 7.850 5.986 1.00 62.30 C ATOM 378 CG GLN A 35 -4.967 8.641 5.140 1.00 2.33 C ATOM 379 CD GLN A 35 -5.941 9.447 5.978 1.00 14.40 C ATOM 380 OE1 GLN A 35 -5.562 10.423 6.623 1.00 73.50 O ATOM 381 NE2 GLN A 35 -7.205 9.038 5.972 1.00 22.30 N ATOM 0 H GLN A 35 -2.565 8.862 4.246 1.00 73.30 H new ATOM 0 HA GLN A 35 -2.261 6.573 5.833 1.00 75.20 H new ATOM 0 HB2 GLN A 35 -4.540 7.182 6.644 1.00 62.30 H new ATOM 0 HB3 GLN A 35 -3.430 8.539 6.624 1.00 62.30 H new ATOM 0 HG2 GLN A 35 -4.416 9.314 4.483 1.00 2.33 H new ATOM 0 HG3 GLN A 35 -5.524 7.956 4.501 1.00 2.33 H new ATOM 0 HE21 GLN A 35 -7.475 8.223 5.422 1.00 22.30 H new ATOM 0 HE22 GLN A 35 -7.906 9.539 6.518 1.00 22.30 H new ATOM 390 N LEU A 36 -4.394 6.273 3.334 1.00 32.00 N ATOM 391 CA LEU A 36 -5.139 5.305 2.537 1.00 3.11 C ATOM 392 C LEU A 36 -4.193 4.338 1.833 1.00 35.50 C ATOM 393 O LEU A 36 -4.522 3.170 1.627 1.00 63.00 O ATOM 394 CB LEU A 36 -6.013 6.024 1.508 1.00 61.40 C ATOM 395 CG LEU A 36 -7.119 6.902 2.096 1.00 53.30 C ATOM 396 CD1 LEU A 36 -7.600 7.914 1.068 1.00 22.30 C ATOM 397 CD2 LEU A 36 -8.275 6.043 2.584 1.00 55.40 C ATOM 0 H LEU A 36 -4.433 7.229 2.981 1.00 32.00 H new ATOM 0 HA LEU A 36 -5.779 4.734 3.209 1.00 3.11 H new ATOM 0 HB2 LEU A 36 -5.373 6.644 0.881 1.00 61.40 H new ATOM 0 HB3 LEU A 36 -6.470 5.278 0.858 1.00 61.40 H new ATOM 0 HG LEU A 36 -6.712 7.447 2.948 1.00 53.30 H new ATOM 0 HD11 LEU A 36 -8.387 8.530 1.504 1.00 22.30 H new ATOM 0 HD12 LEU A 36 -6.767 8.549 0.766 1.00 22.30 H new ATOM 0 HD13 LEU A 36 -7.991 7.389 0.196 1.00 22.30 H new ATOM 0 HD21 LEU A 36 -9.054 6.683 3.000 1.00 55.40 H new ATOM 0 HD22 LEU A 36 -8.682 5.472 1.749 1.00 55.40 H new ATOM 0 HD23 LEU A 36 -7.920 5.358 3.353 1.00 55.40 H new ATOM 409 N TYR A 37 -3.015 4.833 1.466 1.00 23.40 N ATOM 410 CA TYR A 37 -2.020 4.013 0.784 1.00 4.25 C ATOM 411 C TYR A 37 -1.607 2.827 1.651 1.00 54.00 C ATOM 412 O TYR A 37 -1.633 1.681 1.203 1.00 53.50 O ATOM 413 CB TYR A 37 -0.792 4.853 0.430 1.00 4.41 C ATOM 414 CG TYR A 37 -0.883 5.519 -0.924 1.00 3.22 C ATOM 415 CD1 TYR A 37 -1.326 4.817 -2.037 1.00 55.00 C ATOM 416 CD2 TYR A 37 -0.526 6.853 -1.088 1.00 61.20 C ATOM 417 CE1 TYR A 37 -1.410 5.422 -3.277 1.00 14.10 C ATOM 418 CE2 TYR A 37 -0.608 7.465 -2.324 1.00 64.40 C ATOM 419 CZ TYR A 37 -1.051 6.746 -3.415 1.00 74.30 C ATOM 420 OH TYR A 37 -1.133 7.353 -4.647 1.00 34.10 O ATOM 0 H TYR A 37 -2.726 5.798 1.629 1.00 23.40 H new ATOM 0 HA TYR A 37 -2.467 3.631 -0.134 1.00 4.25 H new ATOM 0 HB2 TYR A 37 -0.654 5.619 1.193 1.00 4.41 H new ATOM 0 HB3 TYR A 37 0.092 4.216 0.453 1.00 4.41 H new ATOM 0 HD1 TYR A 37 -1.610 3.780 -1.932 1.00 55.00 H new ATOM 0 HD2 TYR A 37 -0.179 7.419 -0.236 1.00 61.20 H new ATOM 0 HE1 TYR A 37 -1.755 4.861 -4.133 1.00 14.10 H new ATOM 0 HE2 TYR A 37 -0.327 8.502 -2.436 1.00 64.40 H new ATOM 0 HH TYR A 37 -1.225 6.669 -5.343 1.00 34.10 H new ATOM 430 N GLN A 38 -1.229 3.111 2.893 1.00 22.30 N ATOM 431 CA GLN A 38 -0.812 2.069 3.821 1.00 50.10 C ATOM 432 C GLN A 38 -1.938 1.066 4.056 1.00 15.50 C ATOM 433 O GLN A 38 -1.697 -0.135 4.178 1.00 43.20 O ATOM 434 CB GLN A 38 -0.378 2.685 5.153 1.00 25.30 C ATOM 435 CG GLN A 38 0.712 3.736 5.011 1.00 74.50 C ATOM 436 CD GLN A 38 0.788 4.661 6.208 1.00 54.30 C ATOM 437 OE1 GLN A 38 -0.028 4.579 7.125 1.00 11.30 O ATOM 438 NE2 GLN A 38 1.774 5.552 6.206 1.00 5.41 N ATOM 0 H GLN A 38 -1.203 4.055 3.279 1.00 22.30 H new ATOM 0 HA GLN A 38 0.034 1.543 3.379 1.00 50.10 H new ATOM 0 HB2 GLN A 38 -1.245 3.136 5.635 1.00 25.30 H new ATOM 0 HB3 GLN A 38 -0.023 1.892 5.812 1.00 25.30 H new ATOM 0 HG2 GLN A 38 1.674 3.241 4.877 1.00 74.50 H new ATOM 0 HG3 GLN A 38 0.529 4.325 4.112 1.00 74.50 H new ATOM 0 HE21 GLN A 38 2.429 5.586 5.425 1.00 5.41 H new ATOM 0 HE22 GLN A 38 1.876 6.202 6.985 1.00 5.41 H new ATOM 447 N HIS A 39 -3.166 1.568 4.116 1.00 42.00 N ATOM 448 CA HIS A 39 -4.330 0.716 4.335 1.00 24.20 C ATOM 449 C HIS A 39 -4.572 -0.193 3.134 1.00 25.30 C ATOM 450 O HIS A 39 -5.051 -1.317 3.282 1.00 74.20 O ATOM 451 CB HIS A 39 -5.570 1.571 4.600 1.00 40.10 C ATOM 452 CG HIS A 39 -5.541 2.273 5.922 1.00 54.00 C ATOM 453 ND1 HIS A 39 -6.670 2.780 6.531 1.00 52.30 N ATOM 454 CD2 HIS A 39 -4.511 2.551 6.755 1.00 12.10 C ATOM 455 CE1 HIS A 39 -6.335 3.340 7.679 1.00 43.00 C ATOM 456 NE2 HIS A 39 -5.031 3.214 7.839 1.00 23.30 N ATOM 0 H HIS A 39 -3.382 2.560 4.016 1.00 42.00 H new ATOM 0 HA HIS A 39 -4.134 0.092 5.207 1.00 24.20 H new ATOM 0 HB2 HIS A 39 -5.667 2.312 3.806 1.00 40.10 H new ATOM 0 HB3 HIS A 39 -6.455 0.937 4.554 1.00 40.10 H new ATOM 0 HD2 HIS A 39 -3.473 2.298 6.596 1.00 12.10 H new ATOM 0 HE1 HIS A 39 -7.013 3.820 8.370 1.00 43.00 H new ATOM 0 HE2 HIS A 39 -4.496 3.554 8.638 1.00 23.30 H new ATOM 465 N ALA A 40 -4.238 0.302 1.947 1.00 14.20 N ATOM 466 CA ALA A 40 -4.420 -0.467 0.721 1.00 43.40 C ATOM 467 C ALA A 40 -3.291 -1.474 0.531 1.00 75.10 C ATOM 468 O ALA A 40 -3.499 -2.560 -0.010 1.00 12.30 O ATOM 469 CB ALA A 40 -4.504 0.467 -0.478 1.00 73.20 C ATOM 0 H ALA A 40 -3.840 1.231 1.808 1.00 14.20 H new ATOM 0 HA ALA A 40 -5.355 -1.021 0.804 1.00 43.40 H new ATOM 0 HB1 ALA A 40 -4.640 -0.119 -1.387 1.00 73.20 H new ATOM 0 HB2 ALA A 40 -5.349 1.144 -0.353 1.00 73.20 H new ATOM 0 HB3 ALA A 40 -3.583 1.046 -0.554 1.00 73.20 H new ATOM 475 N VAL A 41 -2.095 -1.106 0.980 1.00 34.50 N ATOM 476 CA VAL A 41 -0.933 -1.978 0.859 1.00 64.50 C ATOM 477 C VAL A 41 -0.976 -3.098 1.894 1.00 12.40 C ATOM 478 O VAL A 41 -0.561 -4.224 1.623 1.00 11.20 O ATOM 479 CB VAL A 41 0.382 -1.191 1.023 1.00 11.20 C ATOM 480 CG1 VAL A 41 1.580 -2.083 0.739 1.00 23.20 C ATOM 481 CG2 VAL A 41 0.390 0.031 0.117 1.00 34.00 C ATOM 0 H VAL A 41 -1.906 -0.211 1.430 1.00 34.50 H new ATOM 0 HA VAL A 41 -0.965 -2.410 -0.141 1.00 64.50 H new ATOM 0 HB VAL A 41 0.452 -0.849 2.056 1.00 11.20 H new ATOM 0 HG11 VAL A 41 2.498 -1.508 0.860 1.00 23.20 H new ATOM 0 HG12 VAL A 41 1.582 -2.922 1.435 1.00 23.20 H new ATOM 0 HG13 VAL A 41 1.520 -2.459 -0.282 1.00 23.20 H new ATOM 0 HG21 VAL A 41 1.326 0.574 0.247 1.00 34.00 H new ATOM 0 HG22 VAL A 41 0.295 -0.286 -0.922 1.00 34.00 H new ATOM 0 HG23 VAL A 41 -0.445 0.681 0.376 1.00 34.00 H new ATOM 491 N GLN A 42 -1.480 -2.780 3.082 1.00 20.20 N ATOM 492 CA GLN A 42 -1.575 -3.759 4.158 1.00 43.50 C ATOM 493 C GLN A 42 -2.636 -4.810 3.845 1.00 53.30 C ATOM 494 O GLN A 42 -2.431 -6.001 4.081 1.00 52.30 O ATOM 495 CB GLN A 42 -1.904 -3.064 5.481 1.00 4.33 C ATOM 496 CG GLN A 42 -3.265 -2.389 5.493 1.00 34.00 C ATOM 497 CD GLN A 42 -3.572 -1.718 6.817 1.00 13.50 C ATOM 498 OE1 GLN A 42 -4.625 -1.946 7.412 1.00 3.22 O ATOM 499 NE2 GLN A 42 -2.650 -0.886 7.287 1.00 51.40 N ATOM 0 H GLN A 42 -1.829 -1.852 3.324 1.00 20.20 H new ATOM 0 HA GLN A 42 -0.610 -4.258 4.248 1.00 43.50 H new ATOM 0 HB2 GLN A 42 -1.865 -3.797 6.286 1.00 4.33 H new ATOM 0 HB3 GLN A 42 -1.137 -2.319 5.691 1.00 4.33 H new ATOM 0 HG2 GLN A 42 -3.305 -1.647 4.696 1.00 34.00 H new ATOM 0 HG3 GLN A 42 -4.035 -3.129 5.278 1.00 34.00 H new ATOM 0 HE21 GLN A 42 -1.791 -0.726 6.760 1.00 51.40 H new ATOM 0 HE22 GLN A 42 -2.801 -0.407 8.175 1.00 51.40 H new ATOM 508 N TYR A 43 -3.768 -4.362 3.312 1.00 41.40 N ATOM 509 CA TYR A 43 -4.859 -5.265 2.966 1.00 61.40 C ATOM 510 C TYR A 43 -4.475 -6.158 1.792 1.00 4.22 C ATOM 511 O TYR A 43 -4.888 -7.315 1.717 1.00 22.50 O ATOM 512 CB TYR A 43 -6.122 -4.469 2.627 1.00 3.23 C ATOM 513 CG TYR A 43 -7.067 -4.305 3.796 1.00 31.20 C ATOM 514 CD1 TYR A 43 -6.804 -3.385 4.804 1.00 11.30 C ATOM 515 CD2 TYR A 43 -8.224 -5.068 3.891 1.00 63.00 C ATOM 516 CE1 TYR A 43 -7.666 -3.231 5.872 1.00 61.10 C ATOM 517 CE2 TYR A 43 -9.091 -4.921 4.957 1.00 2.24 C ATOM 518 CZ TYR A 43 -8.808 -4.001 5.945 1.00 32.00 C ATOM 519 OH TYR A 43 -9.668 -3.852 7.008 1.00 44.00 O ATOM 0 H TYR A 43 -3.953 -3.379 3.110 1.00 41.40 H new ATOM 0 HA TYR A 43 -5.060 -5.899 3.830 1.00 61.40 H new ATOM 0 HB2 TYR A 43 -5.833 -3.483 2.263 1.00 3.23 H new ATOM 0 HB3 TYR A 43 -6.648 -4.968 1.813 1.00 3.23 H new ATOM 0 HD1 TYR A 43 -5.911 -2.780 4.751 1.00 11.30 H new ATOM 0 HD2 TYR A 43 -8.450 -5.788 3.119 1.00 63.00 H new ATOM 0 HE1 TYR A 43 -7.447 -2.511 6.647 1.00 61.10 H new ATOM 0 HE2 TYR A 43 -9.985 -5.523 5.016 1.00 2.24 H new ATOM 0 HH TYR A 43 -10.423 -4.468 6.907 1.00 44.00 H new ATOM 529 N PHE A 44 -3.682 -5.611 0.878 1.00 14.10 N ATOM 530 CA PHE A 44 -3.240 -6.355 -0.295 1.00 64.10 C ATOM 531 C PHE A 44 -2.457 -7.599 0.114 1.00 52.50 C ATOM 532 O PHE A 44 -2.768 -8.709 -0.317 1.00 54.20 O ATOM 533 CB PHE A 44 -2.377 -5.462 -1.187 1.00 2.25 C ATOM 534 CG PHE A 44 -3.116 -4.903 -2.370 1.00 62.40 C ATOM 535 CD1 PHE A 44 -3.877 -5.729 -3.182 1.00 63.30 C ATOM 536 CD2 PHE A 44 -3.049 -3.551 -2.669 1.00 11.30 C ATOM 537 CE1 PHE A 44 -4.558 -5.217 -4.270 1.00 4.25 C ATOM 538 CE2 PHE A 44 -3.728 -3.034 -3.758 1.00 23.30 C ATOM 539 CZ PHE A 44 -4.483 -3.869 -4.559 1.00 1.40 C ATOM 0 H PHE A 44 -3.332 -4.654 0.927 1.00 14.10 H new ATOM 0 HA PHE A 44 -4.121 -6.673 -0.852 1.00 64.10 H new ATOM 0 HB2 PHE A 44 -1.984 -4.638 -0.591 1.00 2.25 H new ATOM 0 HB3 PHE A 44 -1.520 -6.035 -1.542 1.00 2.25 H new ATOM 0 HD1 PHE A 44 -3.938 -6.785 -2.962 1.00 63.30 H new ATOM 0 HD2 PHE A 44 -2.461 -2.894 -2.045 1.00 11.30 H new ATOM 0 HE1 PHE A 44 -5.149 -5.871 -4.894 1.00 4.25 H new ATOM 0 HE2 PHE A 44 -3.668 -1.979 -3.982 1.00 23.30 H new ATOM 0 HZ PHE A 44 -5.014 -3.468 -5.410 1.00 1.40 H new ATOM 549 N LEU A 45 -1.440 -7.405 0.947 1.00 72.40 N ATOM 550 CA LEU A 45 -0.612 -8.511 1.413 1.00 22.50 C ATOM 551 C LEU A 45 -1.410 -9.447 2.316 1.00 60.10 C ATOM 552 O LEU A 45 -1.136 -10.646 2.380 1.00 13.40 O ATOM 553 CB LEU A 45 0.610 -7.979 2.164 1.00 0.31 C ATOM 554 CG LEU A 45 1.700 -7.374 1.278 1.00 75.30 C ATOM 555 CD1 LEU A 45 2.733 -6.646 2.125 1.00 70.20 C ATOM 556 CD2 LEU A 45 2.363 -8.453 0.436 1.00 53.10 C ATOM 0 H LEU A 45 -1.169 -6.492 1.313 1.00 72.40 H new ATOM 0 HA LEU A 45 -0.278 -9.074 0.541 1.00 22.50 H new ATOM 0 HB2 LEU A 45 0.279 -7.222 2.875 1.00 0.31 H new ATOM 0 HB3 LEU A 45 1.044 -8.793 2.744 1.00 0.31 H new ATOM 0 HG LEU A 45 1.236 -6.652 0.606 1.00 75.30 H new ATOM 0 HD11 LEU A 45 3.501 -6.222 1.478 1.00 70.20 H new ATOM 0 HD12 LEU A 45 2.247 -5.846 2.684 1.00 70.20 H new ATOM 0 HD13 LEU A 45 3.192 -7.348 2.821 1.00 70.20 H new ATOM 0 HD21 LEU A 45 3.136 -8.004 -0.188 1.00 53.10 H new ATOM 0 HD22 LEU A 45 2.813 -9.200 1.090 1.00 53.10 H new ATOM 0 HD23 LEU A 45 1.616 -8.930 -0.199 1.00 53.10 H new ATOM 568 N HIS A 46 -2.397 -8.893 3.013 1.00 62.40 N ATOM 569 CA HIS A 46 -3.234 -9.680 3.912 1.00 72.20 C ATOM 570 C HIS A 46 -3.917 -10.821 3.165 1.00 33.20 C ATOM 571 O HIS A 46 -3.862 -11.975 3.590 1.00 11.10 O ATOM 572 CB HIS A 46 -4.285 -8.788 4.575 1.00 23.20 C ATOM 573 CG HIS A 46 -4.972 -9.435 5.737 1.00 31.40 C ATOM 574 ND1 HIS A 46 -4.880 -8.957 7.028 1.00 63.50 N ATOM 575 CD2 HIS A 46 -5.767 -10.529 5.799 1.00 3.51 C ATOM 576 CE1 HIS A 46 -5.587 -9.730 7.833 1.00 24.00 C ATOM 577 NE2 HIS A 46 -6.136 -10.690 7.113 1.00 61.30 N ATOM 0 H HIS A 46 -2.637 -7.902 2.973 1.00 62.40 H new ATOM 0 HA HIS A 46 -2.592 -10.109 4.682 1.00 72.20 H new ATOM 0 HB2 HIS A 46 -3.808 -7.868 4.912 1.00 23.20 H new ATOM 0 HB3 HIS A 46 -5.032 -8.507 3.832 1.00 23.20 H new ATOM 0 HD2 HIS A 46 -6.057 -11.158 4.970 1.00 3.51 H new ATOM 0 HE1 HIS A 46 -5.697 -9.599 8.899 1.00 24.00 H new ATOM 0 HE2 HIS A 46 -6.737 -11.431 7.473 1.00 61.30 H new ATOM 586 N VAL A 47 -4.558 -10.490 2.049 1.00 13.10 N ATOM 587 CA VAL A 47 -5.251 -11.487 1.242 1.00 23.50 C ATOM 588 C VAL A 47 -4.263 -12.460 0.606 1.00 51.20 C ATOM 589 O VAL A 47 -4.559 -13.642 0.451 1.00 22.40 O ATOM 590 CB VAL A 47 -6.090 -10.828 0.132 1.00 51.50 C ATOM 591 CG1 VAL A 47 -7.320 -10.155 0.721 1.00 64.50 C ATOM 592 CG2 VAL A 47 -5.252 -9.830 -0.652 1.00 44.10 C ATOM 0 H VAL A 47 -4.612 -9.539 1.683 1.00 13.10 H new ATOM 0 HA VAL A 47 -5.915 -12.032 1.913 1.00 23.50 H new ATOM 0 HB VAL A 47 -6.423 -11.606 -0.555 1.00 51.50 H new ATOM 0 HG11 VAL A 47 -7.901 -9.695 -0.078 1.00 64.50 H new ATOM 0 HG12 VAL A 47 -7.932 -10.898 1.232 1.00 64.50 H new ATOM 0 HG13 VAL A 47 -7.010 -9.389 1.432 1.00 64.50 H new ATOM 0 HG21 VAL A 47 -5.863 -9.375 -1.432 1.00 44.10 H new ATOM 0 HG22 VAL A 47 -4.886 -9.055 0.021 1.00 44.10 H new ATOM 0 HG23 VAL A 47 -4.406 -10.344 -1.108 1.00 44.10 H new ATOM 602 N VAL A 48 -3.092 -11.952 0.238 1.00 60.30 N ATOM 603 CA VAL A 48 -2.063 -12.772 -0.380 1.00 10.40 C ATOM 604 C VAL A 48 -1.598 -13.874 0.567 1.00 31.30 C ATOM 605 O VAL A 48 -1.299 -14.984 0.138 1.00 42.20 O ATOM 606 CB VAL A 48 -0.845 -11.929 -0.804 1.00 51.40 C ATOM 607 CG1 VAL A 48 0.158 -12.777 -1.572 1.00 31.40 C ATOM 608 CG2 VAL A 48 -1.288 -10.736 -1.636 1.00 63.00 C ATOM 0 H VAL A 48 -2.834 -10.973 0.359 1.00 60.30 H new ATOM 0 HA VAL A 48 -2.509 -13.220 -1.268 1.00 10.40 H new ATOM 0 HB VAL A 48 -0.355 -11.558 0.096 1.00 51.40 H new ATOM 0 HG11 VAL A 48 1.009 -12.161 -1.861 1.00 31.40 H new ATOM 0 HG12 VAL A 48 0.501 -13.596 -0.940 1.00 31.40 H new ATOM 0 HG13 VAL A 48 -0.317 -13.182 -2.466 1.00 31.40 H new ATOM 0 HG21 VAL A 48 -0.415 -10.151 -1.927 1.00 63.00 H new ATOM 0 HG22 VAL A 48 -1.804 -11.087 -2.530 1.00 63.00 H new ATOM 0 HG23 VAL A 48 -1.963 -10.113 -1.049 1.00 63.00 H new ATOM 618 N LYS A 49 -1.546 -13.551 1.855 1.00 33.20 N ATOM 619 CA LYS A 49 -1.117 -14.517 2.863 1.00 10.40 C ATOM 620 C LYS A 49 -2.208 -15.551 3.128 1.00 65.00 C ATOM 621 O LYS A 49 -1.923 -16.699 3.452 1.00 14.10 O ATOM 622 CB LYS A 49 -0.747 -13.803 4.164 1.00 63.30 C ATOM 623 CG LYS A 49 0.741 -13.552 4.323 1.00 13.50 C ATOM 624 CD LYS A 49 1.196 -12.345 3.520 1.00 14.20 C ATOM 625 CE LYS A 49 1.317 -11.111 4.394 1.00 63.50 C ATOM 626 NZ LYS A 49 -0.009 -10.663 4.911 1.00 21.20 N ATOM 0 H LYS A 49 -1.794 -12.633 2.225 1.00 33.20 H new ATOM 0 HA LYS A 49 -0.237 -15.034 2.480 1.00 10.40 H new ATOM 0 HB2 LYS A 49 -1.273 -12.849 4.207 1.00 63.30 H new ATOM 0 HB3 LYS A 49 -1.098 -14.399 5.007 1.00 63.30 H new ATOM 0 HG2 LYS A 49 0.973 -13.397 5.377 1.00 13.50 H new ATOM 0 HG3 LYS A 49 1.295 -14.434 4.001 1.00 13.50 H new ATOM 0 HD2 LYS A 49 2.158 -12.558 3.054 1.00 14.20 H new ATOM 0 HD3 LYS A 49 0.487 -12.154 2.715 1.00 14.20 H new ATOM 0 HE2 LYS A 49 1.980 -11.324 5.232 1.00 63.50 H new ATOM 0 HE3 LYS A 49 1.775 -10.304 3.822 1.00 63.50 H new ATOM 0 HZ1 LYS A 49 0.037 -9.654 5.158 1.00 21.20 H new ATOM 0 HZ2 LYS A 49 -0.734 -10.808 4.179 1.00 21.20 H new ATOM 0 HZ3 LYS A 49 -0.256 -11.215 5.757 1.00 21.20 H new ATOM 640 N TYR A 50 -3.462 -15.126 2.987 1.00 65.50 N ATOM 641 CA TYR A 50 -4.595 -16.018 3.212 1.00 54.10 C ATOM 642 C TYR A 50 -5.384 -16.232 1.923 1.00 43.30 C ATOM 643 O TYR A 50 -6.597 -16.421 1.952 1.00 3.53 O ATOM 644 CB TYR A 50 -5.516 -15.439 4.292 1.00 52.30 C ATOM 645 CG TYR A 50 -4.831 -15.250 5.627 1.00 33.20 C ATOM 646 CD1 TYR A 50 -3.799 -14.330 5.774 1.00 25.50 C ATOM 647 CD2 TYR A 50 -5.217 -15.987 6.741 1.00 24.40 C ATOM 648 CE1 TYR A 50 -3.173 -14.151 6.993 1.00 65.20 C ATOM 649 CE2 TYR A 50 -4.597 -15.811 7.963 1.00 55.00 C ATOM 650 CZ TYR A 50 -3.577 -14.889 8.083 1.00 51.40 C ATOM 651 OH TYR A 50 -2.955 -14.713 9.298 1.00 44.30 O ATOM 0 H TYR A 50 -3.717 -14.175 2.720 1.00 65.50 H new ATOM 0 HA TYR A 50 -4.208 -16.981 3.546 1.00 54.10 H new ATOM 0 HB2 TYR A 50 -5.904 -14.479 3.952 1.00 52.30 H new ATOM 0 HB3 TYR A 50 -6.372 -16.101 4.422 1.00 52.30 H new ATOM 0 HD1 TYR A 50 -3.482 -13.746 4.923 1.00 25.50 H new ATOM 0 HD2 TYR A 50 -6.015 -16.709 6.650 1.00 24.40 H new ATOM 0 HE1 TYR A 50 -2.370 -13.435 7.090 1.00 65.20 H new ATOM 0 HE2 TYR A 50 -4.909 -16.391 8.819 1.00 55.00 H new ATOM 0 HH TYR A 50 -3.360 -15.309 9.962 1.00 44.30 H new ATOM 661 N GLU A 51 -4.682 -16.206 0.794 1.00 21.30 N ATOM 662 CA GLU A 51 -5.311 -16.408 -0.504 1.00 23.10 C ATOM 663 C GLU A 51 -4.272 -16.388 -1.621 1.00 3.22 C ATOM 664 O GLU A 51 -4.525 -15.849 -2.704 1.00 75.20 O ATOM 665 CB GLU A 51 -6.365 -15.317 -0.750 1.00 15.30 C ATOM 666 CG GLU A 51 -7.577 -15.817 -1.505 1.00 2.34 C ATOM 667 CD GLU A 51 -8.616 -14.734 -1.726 1.00 31.20 C ATOM 668 OE1 GLU A 51 -8.299 -13.743 -2.418 1.00 14.40 O ATOM 669 OE2 GLU A 51 -9.741 -14.871 -1.200 1.00 13.00 O ATOM 0 H GLU A 51 -3.675 -16.047 0.754 1.00 21.30 H new ATOM 0 HA GLU A 51 -5.795 -17.385 -0.503 1.00 23.10 H new ATOM 0 HB2 GLU A 51 -6.685 -14.908 0.208 1.00 15.30 H new ATOM 0 HB3 GLU A 51 -5.909 -14.500 -1.309 1.00 15.30 H new ATOM 0 HG2 GLU A 51 -7.261 -16.214 -2.470 1.00 2.34 H new ATOM 0 HG3 GLU A 51 -8.029 -16.642 -0.954 1.00 2.34 H new ATOM 676 N ALA A 52 -3.114 -16.982 -1.358 1.00 53.10 N ATOM 677 CA ALA A 52 -2.039 -17.029 -2.341 1.00 24.20 C ATOM 678 C ALA A 52 -2.315 -18.104 -3.394 1.00 72.40 C ATOM 679 O ALA A 52 -1.980 -19.266 -3.208 1.00 54.30 O ATOM 680 CB ALA A 52 -0.711 -17.292 -1.659 1.00 73.30 C ATOM 0 H ALA A 52 -2.896 -17.438 -0.472 1.00 53.10 H new ATOM 0 HA ALA A 52 -1.991 -16.062 -2.841 1.00 24.20 H new ATOM 0 HB1 ALA A 52 0.082 -17.324 -2.406 1.00 73.30 H new ATOM 0 HB2 ALA A 52 -0.504 -16.495 -0.945 1.00 73.30 H new ATOM 0 HB3 ALA A 52 -0.754 -18.246 -1.134 1.00 73.30 H new ATOM 686 N GLN A 53 -2.924 -17.695 -4.498 1.00 24.20 N ATOM 687 CA GLN A 53 -3.247 -18.617 -5.581 1.00 50.10 C ATOM 688 C GLN A 53 -2.672 -18.126 -6.907 1.00 3.21 C ATOM 689 O GLN A 53 -3.274 -17.311 -7.594 1.00 24.20 O ATOM 690 CB GLN A 53 -4.758 -18.785 -5.705 1.00 62.20 C ATOM 691 CG GLN A 53 -5.504 -17.471 -5.879 1.00 63.40 C ATOM 692 CD GLN A 53 -6.987 -17.591 -5.556 1.00 72.50 C ATOM 693 OE1 GLN A 53 -7.845 -17.368 -6.411 1.00 10.00 O ATOM 694 NE2 GLN A 53 -7.284 -17.938 -4.308 1.00 24.40 N ATOM 0 H GLN A 53 -3.205 -16.730 -4.669 1.00 24.20 H new ATOM 0 HA GLN A 53 -2.798 -19.582 -5.344 1.00 50.10 H new ATOM 0 HB2 GLN A 53 -4.975 -19.432 -6.555 1.00 62.20 H new ATOM 0 HB3 GLN A 53 -5.133 -19.291 -4.816 1.00 62.20 H new ATOM 0 HG2 GLN A 53 -5.056 -16.715 -5.234 1.00 63.40 H new ATOM 0 HG3 GLN A 53 -5.387 -17.124 -6.906 1.00 63.40 H new ATOM 0 HE21 GLN A 53 -6.537 -18.112 -3.636 1.00 24.40 H new ATOM 0 HE22 GLN A 53 -8.259 -18.030 -4.023 1.00 24.40 H new ATOM 703 N GLY A 54 -1.487 -18.636 -7.251 1.00 55.50 N ATOM 704 CA GLY A 54 -0.846 -18.236 -8.491 1.00 53.40 C ATOM 705 C GLY A 54 0.235 -17.203 -8.277 1.00 64.30 C ATOM 706 O GLY A 54 0.279 -16.542 -7.236 1.00 13.30 O ATOM 0 H GLY A 54 -0.965 -19.314 -6.695 1.00 55.50 H new ATOM 0 HA2 GLY A 54 -0.415 -19.114 -8.973 1.00 53.40 H new ATOM 0 HA3 GLY A 54 -1.597 -17.835 -9.172 1.00 53.40 H new ATOM 710 N ASP A 55 1.118 -17.054 -9.261 1.00 2.54 N ATOM 711 CA ASP A 55 2.209 -16.100 -9.176 1.00 72.30 C ATOM 712 C ASP A 55 1.779 -14.738 -9.721 1.00 61.30 C ATOM 713 O ASP A 55 2.256 -13.702 -9.264 1.00 73.40 O ATOM 714 CB ASP A 55 3.428 -16.612 -9.946 1.00 42.30 C ATOM 715 CG ASP A 55 3.082 -17.022 -11.364 1.00 15.40 C ATOM 716 OD1 ASP A 55 2.591 -18.156 -11.548 1.00 33.40 O ATOM 717 OD2 ASP A 55 3.304 -16.210 -12.288 1.00 4.24 O ATOM 0 H ASP A 55 1.095 -17.588 -10.130 1.00 2.54 H new ATOM 0 HA ASP A 55 2.479 -15.985 -8.126 1.00 72.30 H new ATOM 0 HB2 ASP A 55 4.192 -15.835 -9.971 1.00 42.30 H new ATOM 0 HB3 ASP A 55 3.857 -17.464 -9.418 1.00 42.30 H new ATOM 722 N LYS A 56 0.881 -14.755 -10.700 1.00 21.30 N ATOM 723 CA LYS A 56 0.390 -13.522 -11.306 1.00 2.44 C ATOM 724 C LYS A 56 -0.288 -12.632 -10.265 1.00 73.10 C ATOM 725 O LYS A 56 -0.034 -11.437 -10.202 1.00 43.20 O ATOM 726 CB LYS A 56 -0.588 -13.836 -12.435 1.00 53.10 C ATOM 727 CG LYS A 56 0.087 -14.119 -13.760 1.00 44.10 C ATOM 728 CD LYS A 56 -0.868 -14.776 -14.745 1.00 1.03 C ATOM 729 CE LYS A 56 -1.461 -13.754 -15.714 1.00 54.30 C ATOM 730 NZ LYS A 56 -1.620 -14.311 -17.078 1.00 15.40 N ATOM 0 H LYS A 56 0.479 -15.607 -11.091 1.00 21.30 H new ATOM 0 HA LYS A 56 1.246 -12.986 -11.715 1.00 2.44 H new ATOM 0 HB2 LYS A 56 -1.191 -14.699 -12.152 1.00 53.10 H new ATOM 0 HB3 LYS A 56 -1.271 -12.995 -12.557 1.00 53.10 H new ATOM 0 HG2 LYS A 56 0.464 -13.188 -14.183 1.00 44.10 H new ATOM 0 HG3 LYS A 56 0.948 -14.768 -13.599 1.00 44.10 H new ATOM 0 HD2 LYS A 56 -0.340 -15.548 -15.306 1.00 1.03 H new ATOM 0 HD3 LYS A 56 -1.671 -15.271 -14.200 1.00 1.03 H new ATOM 0 HE2 LYS A 56 -2.430 -13.422 -15.343 1.00 54.30 H new ATOM 0 HE3 LYS A 56 -0.817 -12.876 -15.754 1.00 54.30 H new ATOM 0 HZ1 LYS A 56 -2.025 -13.586 -17.704 1.00 15.40 H new ATOM 0 HZ2 LYS A 56 -0.692 -14.605 -17.443 1.00 15.40 H new ATOM 0 HZ3 LYS A 56 -2.255 -15.134 -17.045 1.00 15.40 H new ATOM 744 N ALA A 57 -1.141 -13.238 -9.449 1.00 50.40 N ATOM 745 CA ALA A 57 -1.856 -12.503 -8.413 1.00 50.10 C ATOM 746 C ALA A 57 -0.890 -11.865 -7.432 1.00 33.10 C ATOM 747 O ALA A 57 -0.978 -10.671 -7.147 1.00 53.30 O ATOM 748 CB ALA A 57 -2.823 -13.428 -7.683 1.00 63.00 C ATOM 0 H ALA A 57 -1.355 -14.235 -9.484 1.00 50.40 H new ATOM 0 HA ALA A 57 -2.425 -11.706 -8.892 1.00 50.10 H new ATOM 0 HB1 ALA A 57 -3.351 -12.867 -6.912 1.00 63.00 H new ATOM 0 HB2 ALA A 57 -3.543 -13.835 -8.393 1.00 63.00 H new ATOM 0 HB3 ALA A 57 -2.267 -14.244 -7.222 1.00 63.00 H new ATOM 754 N LYS A 58 0.032 -12.660 -6.915 1.00 22.20 N ATOM 755 CA LYS A 58 1.021 -12.170 -5.962 1.00 3.43 C ATOM 756 C LYS A 58 1.936 -11.138 -6.609 1.00 1.24 C ATOM 757 O LYS A 58 2.409 -10.214 -5.947 1.00 53.40 O ATOM 758 CB LYS A 58 1.857 -13.336 -5.417 1.00 71.20 C ATOM 759 CG LYS A 58 1.020 -14.461 -4.835 1.00 32.10 C ATOM 760 CD LYS A 58 1.801 -15.761 -4.780 1.00 31.30 C ATOM 761 CE LYS A 58 2.677 -15.836 -3.538 1.00 41.30 C ATOM 762 NZ LYS A 58 3.815 -14.876 -3.604 1.00 1.30 N ATOM 0 H LYS A 58 0.118 -13.651 -7.139 1.00 22.20 H new ATOM 0 HA LYS A 58 0.489 -11.694 -5.138 1.00 3.43 H new ATOM 0 HB2 LYS A 58 2.478 -13.734 -6.220 1.00 71.20 H new ATOM 0 HB3 LYS A 58 2.532 -12.960 -4.648 1.00 71.20 H new ATOM 0 HG2 LYS A 58 0.691 -14.190 -3.832 1.00 32.10 H new ATOM 0 HG3 LYS A 58 0.123 -14.599 -5.439 1.00 32.10 H new ATOM 0 HD2 LYS A 58 1.109 -16.603 -4.789 1.00 31.30 H new ATOM 0 HD3 LYS A 58 2.423 -15.850 -5.671 1.00 31.30 H new ATOM 0 HE2 LYS A 58 2.074 -15.625 -2.655 1.00 41.30 H new ATOM 0 HE3 LYS A 58 3.062 -16.849 -3.426 1.00 41.30 H new ATOM 0 HZ1 LYS A 58 4.654 -15.302 -3.162 1.00 1.30 H new ATOM 0 HZ2 LYS A 58 4.023 -14.652 -4.598 1.00 1.30 H new ATOM 0 HZ3 LYS A 58 3.562 -14.003 -3.098 1.00 1.30 H new ATOM 776 N GLN A 59 2.180 -11.298 -7.904 1.00 43.40 N ATOM 777 CA GLN A 59 3.037 -10.375 -8.641 1.00 15.40 C ATOM 778 C GLN A 59 2.365 -9.020 -8.803 1.00 63.00 C ATOM 779 O GLN A 59 3.004 -7.978 -8.661 1.00 14.50 O ATOM 780 CB GLN A 59 3.383 -10.957 -10.014 1.00 54.20 C ATOM 781 CG GLN A 59 4.488 -10.197 -10.731 1.00 42.20 C ATOM 782 CD GLN A 59 4.258 -10.105 -12.224 1.00 23.00 C ATOM 783 OE1 GLN A 59 3.732 -11.029 -12.842 1.00 71.30 O ATOM 784 NE2 GLN A 59 4.647 -8.985 -12.806 1.00 65.20 N ATOM 0 H GLN A 59 1.797 -12.058 -8.466 1.00 43.40 H new ATOM 0 HA GLN A 59 3.956 -10.236 -8.071 1.00 15.40 H new ATOM 0 HB2 GLN A 59 3.687 -11.997 -9.894 1.00 54.20 H new ATOM 0 HB3 GLN A 59 2.488 -10.956 -10.637 1.00 54.20 H new ATOM 0 HG2 GLN A 59 4.561 -9.192 -10.316 1.00 42.20 H new ATOM 0 HG3 GLN A 59 5.443 -10.689 -10.544 1.00 42.20 H new ATOM 0 HE21 GLN A 59 5.079 -8.246 -12.252 1.00 65.20 H new ATOM 0 HE22 GLN A 59 4.515 -8.859 -13.810 1.00 65.20 H new ATOM 793 N SER A 60 1.070 -9.039 -9.103 1.00 72.20 N ATOM 794 CA SER A 60 0.310 -7.809 -9.286 1.00 51.20 C ATOM 795 C SER A 60 0.222 -7.023 -7.981 1.00 35.40 C ATOM 796 O SER A 60 0.589 -5.850 -7.926 1.00 22.00 O ATOM 797 CB SER A 60 -1.096 -8.125 -9.799 1.00 34.50 C ATOM 798 OG SER A 60 -1.058 -8.596 -11.136 1.00 15.10 O ATOM 0 H SER A 60 0.526 -9.893 -9.224 1.00 72.20 H new ATOM 0 HA SER A 60 0.830 -7.197 -10.023 1.00 51.20 H new ATOM 0 HB2 SER A 60 -1.560 -8.875 -9.159 1.00 34.50 H new ATOM 0 HB3 SER A 60 -1.716 -7.231 -9.743 1.00 34.50 H new ATOM 0 HG SER A 60 -0.734 -9.521 -11.148 1.00 15.10 H new ATOM 804 N ILE A 61 -0.267 -7.679 -6.933 1.00 75.20 N ATOM 805 CA ILE A 61 -0.404 -7.042 -5.629 1.00 33.50 C ATOM 806 C ILE A 61 0.941 -6.535 -5.119 1.00 71.40 C ATOM 807 O ILE A 61 1.023 -5.470 -4.506 1.00 72.20 O ATOM 808 CB ILE A 61 -1.001 -8.010 -4.590 1.00 64.20 C ATOM 809 CG1 ILE A 61 -0.202 -9.315 -4.557 1.00 53.30 C ATOM 810 CG2 ILE A 61 -2.464 -8.284 -4.902 1.00 75.10 C ATOM 811 CD1 ILE A 61 0.754 -9.408 -3.387 1.00 61.00 C ATOM 0 H ILE A 61 -0.575 -8.651 -6.962 1.00 75.20 H new ATOM 0 HA ILE A 61 -1.081 -6.198 -5.761 1.00 33.50 H new ATOM 0 HB ILE A 61 -0.941 -7.546 -3.606 1.00 64.20 H new ATOM 0 HG12 ILE A 61 -0.895 -10.155 -4.517 1.00 53.30 H new ATOM 0 HG13 ILE A 61 0.362 -9.410 -5.485 1.00 53.30 H new ATOM 0 HG21 ILE A 61 -2.872 -8.970 -4.159 1.00 75.10 H new ATOM 0 HG22 ILE A 61 -3.023 -7.348 -4.878 1.00 75.10 H new ATOM 0 HG23 ILE A 61 -2.547 -8.731 -5.893 1.00 75.10 H new ATOM 0 HD11 ILE A 61 1.287 -10.358 -3.427 1.00 61.00 H new ATOM 0 HD12 ILE A 61 1.471 -8.588 -3.437 1.00 61.00 H new ATOM 0 HD13 ILE A 61 0.194 -9.345 -2.454 1.00 61.00 H new ATOM 823 N ARG A 62 1.994 -7.305 -5.376 1.00 52.00 N ATOM 824 CA ARG A 62 3.336 -6.932 -4.943 1.00 33.20 C ATOM 825 C ARG A 62 3.798 -5.657 -5.640 1.00 50.10 C ATOM 826 O ARG A 62 4.208 -4.695 -4.991 1.00 11.20 O ATOM 827 CB ARG A 62 4.320 -8.069 -5.225 1.00 14.10 C ATOM 828 CG ARG A 62 4.464 -9.039 -4.071 1.00 53.00 C ATOM 829 CD ARG A 62 5.913 -9.448 -3.868 1.00 31.30 C ATOM 830 NE ARG A 62 6.345 -10.445 -4.848 1.00 42.30 N ATOM 831 CZ ARG A 62 7.617 -10.690 -5.145 1.00 45.20 C ATOM 832 NH1 ARG A 62 8.591 -10.024 -4.537 1.00 51.40 N ATOM 833 NH2 ARG A 62 7.923 -11.618 -6.049 1.00 21.30 N ATOM 0 H ARG A 62 1.944 -8.190 -5.881 1.00 52.00 H new ATOM 0 HA ARG A 62 3.306 -6.746 -3.869 1.00 33.20 H new ATOM 0 HB2 ARG A 62 3.990 -8.614 -6.109 1.00 14.10 H new ATOM 0 HB3 ARG A 62 5.297 -7.645 -5.458 1.00 14.10 H new ATOM 0 HG2 ARG A 62 4.083 -8.581 -3.159 1.00 53.00 H new ATOM 0 HG3 ARG A 62 3.857 -9.925 -4.260 1.00 53.00 H new ATOM 0 HD2 ARG A 62 6.552 -8.568 -3.941 1.00 31.30 H new ATOM 0 HD3 ARG A 62 6.039 -9.850 -2.863 1.00 31.30 H new ATOM 0 HE ARG A 62 5.627 -10.984 -5.332 1.00 42.30 H new ATOM 0 HH11 ARG A 62 8.366 -9.318 -3.836 1.00 51.40 H new ATOM 0 HH12 ARG A 62 9.565 -10.218 -4.771 1.00 51.40 H new ATOM 0 HH21 ARG A 62 7.181 -12.141 -6.514 1.00 21.30 H new ATOM 0 HH22 ARG A 62 8.899 -11.806 -6.277 1.00 21.30 H new ATOM 847 N ALA A 63 3.729 -5.657 -6.968 1.00 65.40 N ATOM 848 CA ALA A 63 4.139 -4.500 -7.754 1.00 52.10 C ATOM 849 C ALA A 63 3.333 -3.263 -7.372 1.00 61.20 C ATOM 850 O ALA A 63 3.826 -2.138 -7.456 1.00 10.30 O ATOM 851 CB ALA A 63 3.988 -4.792 -9.240 1.00 52.20 C ATOM 0 H ALA A 63 3.393 -6.445 -7.521 1.00 65.40 H new ATOM 0 HA ALA A 63 5.188 -4.299 -7.539 1.00 52.10 H new ATOM 0 HB1 ALA A 63 4.298 -3.920 -9.816 1.00 52.20 H new ATOM 0 HB2 ALA A 63 4.612 -5.644 -9.509 1.00 52.20 H new ATOM 0 HB3 ALA A 63 2.946 -5.022 -9.462 1.00 52.20 H new ATOM 857 N LYS A 64 2.091 -3.480 -6.949 1.00 43.00 N ATOM 858 CA LYS A 64 1.217 -2.383 -6.554 1.00 25.20 C ATOM 859 C LYS A 64 1.504 -1.949 -5.120 1.00 24.00 C ATOM 860 O LYS A 64 1.352 -0.777 -4.772 1.00 51.00 O ATOM 861 CB LYS A 64 -0.250 -2.797 -6.689 1.00 12.10 C ATOM 862 CG LYS A 64 -0.843 -2.495 -8.055 1.00 21.50 C ATOM 863 CD LYS A 64 -1.837 -3.563 -8.480 1.00 23.00 C ATOM 864 CE LYS A 64 -2.578 -3.164 -9.746 1.00 3.53 C ATOM 865 NZ LYS A 64 -3.172 -4.342 -10.437 1.00 64.50 N ATOM 0 H LYS A 64 1.669 -4.405 -6.871 1.00 43.00 H new ATOM 0 HA LYS A 64 1.412 -1.540 -7.217 1.00 25.20 H new ATOM 0 HB2 LYS A 64 -0.337 -3.866 -6.492 1.00 12.10 H new ATOM 0 HB3 LYS A 64 -0.836 -2.284 -5.926 1.00 12.10 H new ATOM 0 HG2 LYS A 64 -1.338 -1.524 -8.031 1.00 21.50 H new ATOM 0 HG3 LYS A 64 -0.043 -2.427 -8.793 1.00 21.50 H new ATOM 0 HD2 LYS A 64 -1.313 -4.504 -8.646 1.00 23.00 H new ATOM 0 HD3 LYS A 64 -2.554 -3.735 -7.677 1.00 23.00 H new ATOM 0 HE2 LYS A 64 -3.366 -2.454 -9.497 1.00 3.53 H new ATOM 0 HE3 LYS A 64 -1.892 -2.654 -10.423 1.00 3.53 H new ATOM 0 HZ1 LYS A 64 -3.668 -4.027 -11.295 1.00 64.50 H new ATOM 0 HZ2 LYS A 64 -2.417 -5.008 -10.698 1.00 64.50 H new ATOM 0 HZ3 LYS A 64 -3.846 -4.814 -9.801 1.00 64.50 H new ATOM 879 N CYS A 65 1.920 -2.901 -4.290 1.00 4.50 N ATOM 880 CA CYS A 65 2.229 -2.617 -2.894 1.00 33.30 C ATOM 881 C CYS A 65 3.515 -1.803 -2.776 1.00 43.40 C ATOM 882 O CYS A 65 3.636 -0.938 -1.909 1.00 51.00 O ATOM 883 CB CYS A 65 2.361 -3.920 -2.103 1.00 75.10 C ATOM 884 SG CYS A 65 0.781 -4.697 -1.693 1.00 4.10 S ATOM 0 H CYS A 65 2.051 -3.876 -4.561 1.00 4.50 H new ATOM 0 HA CYS A 65 1.410 -2.030 -2.479 1.00 33.30 H new ATOM 0 HB2 CYS A 65 2.961 -4.624 -2.680 1.00 75.10 H new ATOM 0 HB3 CYS A 65 2.905 -3.719 -1.180 1.00 75.10 H new ATOM 0 HG CYS A 65 0.311 -5.305 -2.742 1.00 4.10 H new ATOM 890 N THR A 66 4.471 -2.089 -3.653 1.00 32.00 N ATOM 891 CA THR A 66 5.747 -1.384 -3.649 1.00 41.20 C ATOM 892 C THR A 66 5.589 0.031 -4.195 1.00 62.20 C ATOM 893 O THR A 66 6.135 0.986 -3.640 1.00 51.10 O ATOM 894 CB THR A 66 6.780 -2.150 -4.477 1.00 50.30 C ATOM 895 OG1 THR A 66 6.914 -3.480 -4.005 1.00 24.50 O ATOM 896 CG2 THR A 66 8.154 -1.516 -4.456 1.00 74.10 C ATOM 0 H THR A 66 4.386 -2.804 -4.375 1.00 32.00 H new ATOM 0 HA THR A 66 6.094 -1.319 -2.618 1.00 41.20 H new ATOM 0 HB THR A 66 6.403 -2.129 -5.500 1.00 50.30 H new ATOM 0 HG1 THR A 66 6.130 -4.003 -4.274 1.00 24.50 H new ATOM 0 HG21 THR A 66 8.838 -2.109 -5.063 1.00 74.10 H new ATOM 0 HG22 THR A 66 8.095 -0.505 -4.860 1.00 74.10 H new ATOM 0 HG23 THR A 66 8.521 -1.476 -3.430 1.00 74.10 H new ATOM 904 N GLU A 67 4.841 0.159 -5.286 1.00 1.43 N ATOM 905 CA GLU A 67 4.611 1.458 -5.907 1.00 44.10 C ATOM 906 C GLU A 67 3.919 2.410 -4.937 1.00 52.40 C ATOM 907 O GLU A 67 4.388 3.524 -4.704 1.00 73.40 O ATOM 908 CB GLU A 67 3.766 1.299 -7.173 1.00 73.20 C ATOM 909 CG GLU A 67 3.513 2.607 -7.904 1.00 52.20 C ATOM 910 CD GLU A 67 2.427 2.487 -8.955 1.00 52.10 C ATOM 911 OE1 GLU A 67 1.293 2.108 -8.596 1.00 42.50 O ATOM 912 OE2 GLU A 67 2.711 2.770 -10.133 1.00 22.30 O ATOM 0 H GLU A 67 4.384 -0.621 -5.758 1.00 1.43 H new ATOM 0 HA GLU A 67 5.579 1.881 -6.175 1.00 44.10 H new ATOM 0 HB2 GLU A 67 4.266 0.606 -7.849 1.00 73.20 H new ATOM 0 HB3 GLU A 67 2.809 0.850 -6.907 1.00 73.20 H new ATOM 0 HG2 GLU A 67 3.232 3.374 -7.182 1.00 52.20 H new ATOM 0 HG3 GLU A 67 4.437 2.939 -8.378 1.00 52.20 H new ATOM 919 N TYR A 68 2.801 1.964 -4.373 1.00 61.00 N ATOM 920 CA TYR A 68 2.046 2.777 -3.428 1.00 3.35 C ATOM 921 C TYR A 68 2.868 3.062 -2.176 1.00 30.30 C ATOM 922 O TYR A 68 2.769 4.139 -1.588 1.00 1.51 O ATOM 923 CB TYR A 68 0.742 2.073 -3.047 1.00 33.40 C ATOM 924 CG TYR A 68 -0.223 1.917 -4.201 1.00 24.40 C ATOM 925 CD1 TYR A 68 -0.444 2.959 -5.093 1.00 63.30 C ATOM 926 CD2 TYR A 68 -0.914 0.728 -4.398 1.00 53.40 C ATOM 927 CE1 TYR A 68 -1.325 2.820 -6.148 1.00 3.03 C ATOM 928 CE2 TYR A 68 -1.796 0.581 -5.451 1.00 1.32 C ATOM 929 CZ TYR A 68 -1.999 1.630 -6.323 1.00 71.50 C ATOM 930 OH TYR A 68 -2.876 1.488 -7.373 1.00 15.00 O ATOM 0 H TYR A 68 2.399 1.044 -4.554 1.00 61.00 H new ATOM 0 HA TYR A 68 1.812 3.726 -3.910 1.00 3.35 H new ATOM 0 HB2 TYR A 68 0.976 1.087 -2.644 1.00 33.40 H new ATOM 0 HB3 TYR A 68 0.255 2.636 -2.251 1.00 33.40 H new ATOM 0 HD1 TYR A 68 0.082 3.893 -4.959 1.00 63.30 H new ATOM 0 HD2 TYR A 68 -0.759 -0.095 -3.716 1.00 53.40 H new ATOM 0 HE1 TYR A 68 -1.485 3.640 -6.833 1.00 3.03 H new ATOM 0 HE2 TYR A 68 -2.324 -0.351 -5.591 1.00 1.32 H new ATOM 0 HH TYR A 68 -3.266 0.589 -7.354 1.00 15.00 H new ATOM 940 N LEU A 69 3.679 2.089 -1.773 1.00 34.30 N ATOM 941 CA LEU A 69 4.519 2.235 -0.591 1.00 53.20 C ATOM 942 C LEU A 69 5.555 3.338 -0.792 1.00 32.00 C ATOM 943 O LEU A 69 5.761 4.176 0.086 1.00 41.30 O ATOM 944 CB LEU A 69 5.221 0.914 -0.271 1.00 45.40 C ATOM 945 CG LEU A 69 4.411 -0.057 0.590 1.00 41.50 C ATOM 946 CD1 LEU A 69 5.046 -1.439 0.576 1.00 53.30 C ATOM 947 CD2 LEU A 69 4.295 0.465 2.014 1.00 23.40 C ATOM 0 H LEU A 69 3.772 1.191 -2.248 1.00 34.30 H new ATOM 0 HA LEU A 69 3.878 2.510 0.247 1.00 53.20 H new ATOM 0 HB2 LEU A 69 5.476 0.419 -1.208 1.00 45.40 H new ATOM 0 HB3 LEU A 69 6.159 1.133 0.239 1.00 45.40 H new ATOM 0 HG LEU A 69 3.408 -0.137 0.171 1.00 41.50 H new ATOM 0 HD11 LEU A 69 4.456 -2.117 1.194 1.00 53.30 H new ATOM 0 HD12 LEU A 69 5.077 -1.815 -0.447 1.00 53.30 H new ATOM 0 HD13 LEU A 69 6.060 -1.378 0.971 1.00 53.30 H new ATOM 0 HD21 LEU A 69 3.716 -0.238 2.613 1.00 23.40 H new ATOM 0 HD22 LEU A 69 5.291 0.574 2.444 1.00 23.40 H new ATOM 0 HD23 LEU A 69 3.795 1.434 2.007 1.00 23.40 H new ATOM 959 N ASP A 70 6.201 3.331 -1.953 1.00 32.20 N ATOM 960 CA ASP A 70 7.214 4.331 -2.269 1.00 74.10 C ATOM 961 C ASP A 70 6.617 5.734 -2.251 1.00 43.10 C ATOM 962 O ASP A 70 7.293 6.703 -1.904 1.00 24.00 O ATOM 963 CB ASP A 70 7.834 4.044 -3.638 1.00 73.30 C ATOM 964 CG ASP A 70 9.152 4.765 -3.839 1.00 21.30 C ATOM 965 OD1 ASP A 70 9.338 5.843 -3.235 1.00 22.30 O ATOM 966 OD2 ASP A 70 10.000 4.252 -4.600 1.00 43.40 O ATOM 0 H ASP A 70 6.041 2.644 -2.690 1.00 32.20 H new ATOM 0 HA ASP A 70 7.992 4.278 -1.508 1.00 74.10 H new ATOM 0 HB2 ASP A 70 7.990 2.971 -3.745 1.00 73.30 H new ATOM 0 HB3 ASP A 70 7.136 4.344 -4.420 1.00 73.30 H new ATOM 971 N ARG A 71 5.347 5.836 -2.628 1.00 22.30 N ATOM 972 CA ARG A 71 4.659 7.121 -2.655 1.00 54.00 C ATOM 973 C ARG A 71 4.329 7.591 -1.242 1.00 44.20 C ATOM 974 O ARG A 71 4.605 8.733 -0.877 1.00 53.50 O ATOM 975 CB ARG A 71 3.378 7.019 -3.484 1.00 75.40 C ATOM 976 CG ARG A 71 2.922 8.348 -4.065 1.00 55.30 C ATOM 977 CD ARG A 71 2.246 8.162 -5.414 1.00 44.40 C ATOM 978 NE ARG A 71 2.480 9.297 -6.304 1.00 10.10 N ATOM 979 CZ ARG A 71 3.676 9.629 -6.784 1.00 43.50 C ATOM 980 NH1 ARG A 71 4.749 8.916 -6.461 1.00 52.50 N ATOM 981 NH2 ARG A 71 3.801 10.676 -7.588 1.00 64.30 N ATOM 0 H ARG A 71 4.774 5.044 -2.919 1.00 22.30 H new ATOM 0 HA ARG A 71 5.324 7.852 -3.115 1.00 54.00 H new ATOM 0 HB2 ARG A 71 3.537 6.312 -4.298 1.00 75.40 H new ATOM 0 HB3 ARG A 71 2.582 6.613 -2.860 1.00 75.40 H new ATOM 0 HG2 ARG A 71 2.231 8.831 -3.374 1.00 55.30 H new ATOM 0 HG3 ARG A 71 3.779 9.012 -4.175 1.00 55.30 H new ATOM 0 HD2 ARG A 71 2.617 7.251 -5.883 1.00 44.40 H new ATOM 0 HD3 ARG A 71 1.174 8.031 -5.267 1.00 44.40 H new ATOM 0 HE ARG A 71 1.679 9.869 -6.573 1.00 10.10 H new ATOM 0 HH11 ARG A 71 4.658 8.110 -5.843 1.00 52.50 H new ATOM 0 HH12 ARG A 71 5.664 9.174 -6.831 1.00 52.50 H new ATOM 0 HH21 ARG A 71 2.980 11.227 -7.839 1.00 64.30 H new ATOM 0 HH22 ARG A 71 4.718 10.930 -7.956 1.00 64.30 H new ATOM 995 N ALA A 72 3.736 6.702 -0.451 1.00 63.30 N ATOM 996 CA ALA A 72 3.368 7.026 0.922 1.00 74.30 C ATOM 997 C ALA A 72 4.590 7.441 1.735 1.00 74.10 C ATOM 998 O ALA A 72 4.582 8.477 2.400 1.00 35.40 O ATOM 999 CB ALA A 72 2.675 5.840 1.576 1.00 20.20 C ATOM 0 H ALA A 72 3.500 5.752 -0.738 1.00 63.30 H new ATOM 0 HA ALA A 72 2.677 7.869 0.898 1.00 74.30 H new ATOM 0 HB1 ALA A 72 2.406 6.096 2.601 1.00 20.20 H new ATOM 0 HB2 ALA A 72 1.774 5.591 1.016 1.00 20.20 H new ATOM 0 HB3 ALA A 72 3.348 4.983 1.581 1.00 20.20 H new ATOM 1005 N GLU A 73 5.638 6.627 1.678 1.00 61.30 N ATOM 1006 CA GLU A 73 6.867 6.910 2.408 1.00 14.40 C ATOM 1007 C GLU A 73 7.467 8.242 1.968 1.00 22.20 C ATOM 1008 O GLU A 73 8.058 8.964 2.770 1.00 50.30 O ATOM 1009 CB GLU A 73 7.883 5.786 2.198 1.00 24.50 C ATOM 1010 CG GLU A 73 8.178 5.499 0.735 1.00 60.50 C ATOM 1011 CD GLU A 73 9.394 6.249 0.227 1.00 22.10 C ATOM 1012 OE1 GLU A 73 9.777 7.255 0.860 1.00 54.10 O ATOM 1013 OE2 GLU A 73 9.964 5.829 -0.801 1.00 14.00 O ATOM 0 H GLU A 73 5.661 5.765 1.133 1.00 61.30 H new ATOM 0 HA GLU A 73 6.622 6.974 3.468 1.00 14.40 H new ATOM 0 HB2 GLU A 73 8.813 6.049 2.703 1.00 24.50 H new ATOM 0 HB3 GLU A 73 7.510 4.877 2.670 1.00 24.50 H new ATOM 0 HG2 GLU A 73 8.335 4.428 0.603 1.00 60.50 H new ATOM 0 HG3 GLU A 73 7.311 5.771 0.133 1.00 60.50 H new ATOM 1020 N LYS A 74 7.308 8.562 0.688 1.00 12.10 N ATOM 1021 CA LYS A 74 7.832 9.808 0.141 1.00 12.40 C ATOM 1022 C LYS A 74 7.025 11.001 0.640 1.00 40.40 C ATOM 1023 O LYS A 74 7.557 12.099 0.807 1.00 34.10 O ATOM 1024 CB LYS A 74 7.812 9.767 -1.389 1.00 53.30 C ATOM 1025 CG LYS A 74 9.093 9.223 -1.999 1.00 64.10 C ATOM 1026 CD LYS A 74 9.404 9.892 -3.328 1.00 52.40 C ATOM 1027 CE LYS A 74 10.300 9.022 -4.194 1.00 53.40 C ATOM 1028 NZ LYS A 74 11.742 9.327 -3.986 1.00 64.20 N ATOM 0 H LYS A 74 6.821 7.976 0.010 1.00 12.10 H new ATOM 0 HA LYS A 74 8.862 9.921 0.480 1.00 12.40 H new ATOM 0 HB2 LYS A 74 6.974 9.152 -1.717 1.00 53.30 H new ATOM 0 HB3 LYS A 74 7.637 10.774 -1.769 1.00 53.30 H new ATOM 0 HG2 LYS A 74 9.922 9.380 -1.308 1.00 64.10 H new ATOM 0 HG3 LYS A 74 9.000 8.147 -2.145 1.00 64.10 H new ATOM 0 HD2 LYS A 74 8.475 10.100 -3.858 1.00 52.40 H new ATOM 0 HD3 LYS A 74 9.890 10.851 -3.149 1.00 52.40 H new ATOM 0 HE2 LYS A 74 10.115 7.972 -3.967 1.00 53.40 H new ATOM 0 HE3 LYS A 74 10.046 9.171 -5.243 1.00 53.40 H new ATOM 0 HZ1 LYS A 74 12.318 8.712 -4.595 1.00 64.20 H new ATOM 0 HZ2 LYS A 74 11.925 10.322 -4.227 1.00 64.20 H new ATOM 0 HZ3 LYS A 74 11.992 9.160 -2.990 1.00 64.20 H new ATOM 1042 N LEU A 75 5.736 10.779 0.878 1.00 72.40 N ATOM 1043 CA LEU A 75 4.855 11.835 1.360 1.00 71.30 C ATOM 1044 C LEU A 75 5.161 12.178 2.814 1.00 71.10 C ATOM 1045 O LEU A 75 5.244 13.350 3.183 1.00 3.12 O ATOM 1046 CB LEU A 75 3.391 11.408 1.219 1.00 70.20 C ATOM 1047 CG LEU A 75 2.710 11.842 -0.079 1.00 44.20 C ATOM 1048 CD1 LEU A 75 3.494 11.349 -1.286 1.00 34.50 C ATOM 1049 CD2 LEU A 75 1.279 11.327 -0.125 1.00 70.00 C ATOM 0 H LEU A 75 5.279 9.877 0.745 1.00 72.40 H new ATOM 0 HA LEU A 75 5.027 12.724 0.754 1.00 71.30 H new ATOM 0 HB2 LEU A 75 3.337 10.322 1.294 1.00 70.20 H new ATOM 0 HB3 LEU A 75 2.828 11.814 2.060 1.00 70.20 H new ATOM 0 HG LEU A 75 2.687 12.931 -0.108 1.00 44.20 H new ATOM 0 HD11 LEU A 75 2.993 11.668 -2.200 1.00 34.50 H new ATOM 0 HD12 LEU A 75 4.501 11.765 -1.260 1.00 34.50 H new ATOM 0 HD13 LEU A 75 3.550 10.261 -1.264 1.00 34.50 H new ATOM 0 HD21 LEU A 75 0.808 11.644 -1.055 1.00 70.00 H new ATOM 0 HD22 LEU A 75 1.282 10.238 -0.073 1.00 70.00 H new ATOM 0 HD23 LEU A 75 0.720 11.729 0.720 1.00 70.00 H new ATOM 1061 N LYS A 76 5.331 11.148 3.636 1.00 31.30 N ATOM 1062 CA LYS A 76 5.630 11.339 5.051 1.00 42.30 C ATOM 1063 C LYS A 76 6.935 12.107 5.229 1.00 13.10 C ATOM 1064 O LYS A 76 7.064 12.928 6.138 1.00 75.00 O ATOM 1065 CB LYS A 76 5.717 9.988 5.762 1.00 65.50 C ATOM 1066 CG LYS A 76 5.170 10.012 7.181 1.00 3.42 C ATOM 1067 CD LYS A 76 6.279 10.213 8.202 1.00 35.20 C ATOM 1068 CE LYS A 76 6.733 8.891 8.798 1.00 13.50 C ATOM 1069 NZ LYS A 76 5.687 8.283 9.666 1.00 3.34 N ATOM 0 H LYS A 76 5.267 10.172 3.347 1.00 31.30 H new ATOM 0 HA LYS A 76 4.822 11.922 5.494 1.00 42.30 H new ATOM 0 HB2 LYS A 76 5.169 9.246 5.182 1.00 65.50 H new ATOM 0 HB3 LYS A 76 6.758 9.667 5.788 1.00 65.50 H new ATOM 0 HG2 LYS A 76 4.437 10.813 7.276 1.00 3.42 H new ATOM 0 HG3 LYS A 76 4.649 9.077 7.387 1.00 3.42 H new ATOM 0 HD2 LYS A 76 7.126 10.710 7.728 1.00 35.20 H new ATOM 0 HD3 LYS A 76 5.928 10.871 8.997 1.00 35.20 H new ATOM 0 HE2 LYS A 76 6.985 8.199 7.995 1.00 13.50 H new ATOM 0 HE3 LYS A 76 7.641 9.048 9.380 1.00 13.50 H new ATOM 0 HZ1 LYS A 76 6.129 7.604 10.318 1.00 3.34 H new ATOM 0 HZ2 LYS A 76 5.213 9.030 10.213 1.00 3.34 H new ATOM 0 HZ3 LYS A 76 4.988 7.790 9.074 1.00 3.34 H new ATOM 1083 N GLU A 77 7.900 11.836 4.357 1.00 52.20 N ATOM 1084 CA GLU A 77 9.195 12.504 4.417 1.00 34.10 C ATOM 1085 C GLU A 77 9.086 13.934 3.899 1.00 24.20 C ATOM 1086 O GLU A 77 9.474 14.883 4.579 1.00 35.30 O ATOM 1087 CB GLU A 77 10.231 11.730 3.600 1.00 12.20 C ATOM 1088 CG GLU A 77 10.900 10.607 4.374 1.00 14.40 C ATOM 1089 CD GLU A 77 11.381 9.484 3.476 1.00 41.20 C ATOM 1090 OE1 GLU A 77 11.882 9.781 2.371 1.00 52.40 O ATOM 1091 OE2 GLU A 77 11.255 8.308 3.877 1.00 4.42 O ATOM 0 H GLU A 77 7.810 11.158 3.600 1.00 52.20 H new ATOM 0 HA GLU A 77 9.516 12.534 5.458 1.00 34.10 H new ATOM 0 HB2 GLU A 77 9.747 11.313 2.717 1.00 12.20 H new ATOM 0 HB3 GLU A 77 10.995 12.423 3.248 1.00 12.20 H new ATOM 0 HG2 GLU A 77 11.746 11.009 4.931 1.00 14.40 H new ATOM 0 HG3 GLU A 77 10.198 10.207 5.105 1.00 14.40 H new ATOM 1098 N TYR A 78 8.553 14.077 2.692 1.00 22.40 N ATOM 1099 CA TYR A 78 8.387 15.389 2.077 1.00 10.10 C ATOM 1100 C TYR A 78 7.477 16.270 2.933 1.00 12.40 C ATOM 1101 O TYR A 78 7.640 17.489 2.977 1.00 75.40 O ATOM 1102 CB TYR A 78 7.819 15.233 0.659 1.00 2.33 C ATOM 1103 CG TYR A 78 6.912 16.362 0.218 1.00 51.30 C ATOM 1104 CD1 TYR A 78 5.581 16.401 0.616 1.00 52.00 C ATOM 1105 CD2 TYR A 78 7.385 17.386 -0.592 1.00 4.24 C ATOM 1106 CE1 TYR A 78 4.747 17.428 0.217 1.00 23.40 C ATOM 1107 CE2 TYR A 78 6.558 18.417 -0.995 1.00 23.10 C ATOM 1108 CZ TYR A 78 5.241 18.434 -0.587 1.00 40.40 C ATOM 1109 OH TYR A 78 4.414 19.459 -0.986 1.00 53.30 O ATOM 0 H TYR A 78 8.228 13.299 2.118 1.00 22.40 H new ATOM 0 HA TYR A 78 9.360 15.875 2.011 1.00 10.10 H new ATOM 0 HB2 TYR A 78 8.648 15.154 -0.044 1.00 2.33 H new ATOM 0 HB3 TYR A 78 7.265 14.296 0.604 1.00 2.33 H new ATOM 0 HD1 TYR A 78 5.192 15.616 1.247 1.00 52.00 H new ATOM 0 HD2 TYR A 78 8.416 17.376 -0.912 1.00 4.24 H new ATOM 0 HE1 TYR A 78 3.714 17.443 0.533 1.00 23.40 H new ATOM 0 HE2 TYR A 78 6.941 19.205 -1.626 1.00 23.10 H new ATOM 0 HH TYR A 78 4.917 20.086 -1.547 1.00 53.30 H new ATOM 1119 N LEU A 79 6.520 15.643 3.610 1.00 5.33 N ATOM 1120 CA LEU A 79 5.587 16.369 4.463 1.00 24.50 C ATOM 1121 C LEU A 79 6.311 17.004 5.646 1.00 10.30 C ATOM 1122 O LEU A 79 6.113 18.181 5.949 1.00 2.14 O ATOM 1123 CB LEU A 79 4.488 15.430 4.966 1.00 14.00 C ATOM 1124 CG LEU A 79 3.283 15.287 4.036 1.00 34.20 C ATOM 1125 CD1 LEU A 79 2.604 13.942 4.247 1.00 11.10 C ATOM 1126 CD2 LEU A 79 2.298 16.424 4.261 1.00 12.10 C ATOM 0 H LEU A 79 6.371 14.634 3.584 1.00 5.33 H new ATOM 0 HA LEU A 79 5.134 17.163 3.870 1.00 24.50 H new ATOM 0 HB2 LEU A 79 4.921 14.443 5.129 1.00 14.00 H new ATOM 0 HB3 LEU A 79 4.140 15.789 5.934 1.00 14.00 H new ATOM 0 HG LEU A 79 3.635 15.337 3.006 1.00 34.20 H new ATOM 0 HD11 LEU A 79 1.748 13.857 3.577 1.00 11.10 H new ATOM 0 HD12 LEU A 79 3.311 13.140 4.035 1.00 11.10 H new ATOM 0 HD13 LEU A 79 2.265 13.864 5.280 1.00 11.10 H new ATOM 0 HD21 LEU A 79 1.447 16.306 3.591 1.00 12.10 H new ATOM 0 HD22 LEU A 79 1.951 16.406 5.294 1.00 12.10 H new ATOM 0 HD23 LEU A 79 2.789 17.376 4.060 1.00 12.10 H new ATOM 1138 N LYS A 80 7.151 16.217 6.310 1.00 13.10 N ATOM 1139 CA LYS A 80 7.905 16.703 7.461 1.00 71.40 C ATOM 1140 C LYS A 80 8.963 17.714 7.030 1.00 41.30 C ATOM 1141 O LYS A 80 9.098 18.779 7.631 1.00 72.10 O ATOM 1142 CB LYS A 80 8.567 15.534 8.192 1.00 21.20 C ATOM 1143 CG LYS A 80 7.579 14.612 8.887 1.00 0.11 C ATOM 1144 CD LYS A 80 8.200 13.946 10.104 1.00 63.10 C ATOM 1145 CE LYS A 80 7.739 12.505 10.246 1.00 41.40 C ATOM 1146 NZ LYS A 80 8.738 11.669 10.968 1.00 31.10 N ATOM 0 H LYS A 80 7.327 15.241 6.072 1.00 13.10 H new ATOM 0 HA LYS A 80 7.209 17.199 8.138 1.00 71.40 H new ATOM 0 HB2 LYS A 80 9.151 14.954 7.478 1.00 21.20 H new ATOM 0 HB3 LYS A 80 9.265 15.927 8.931 1.00 21.20 H new ATOM 0 HG2 LYS A 80 6.700 15.181 9.191 1.00 0.11 H new ATOM 0 HG3 LYS A 80 7.238 13.849 8.188 1.00 0.11 H new ATOM 0 HD2 LYS A 80 9.286 13.975 10.021 1.00 63.10 H new ATOM 0 HD3 LYS A 80 7.934 14.504 11.001 1.00 63.10 H new ATOM 0 HE2 LYS A 80 6.790 12.479 10.781 1.00 41.40 H new ATOM 0 HE3 LYS A 80 7.559 12.083 9.257 1.00 41.40 H new ATOM 0 HZ1 LYS A 80 8.385 10.694 11.043 1.00 31.10 H new ATOM 0 HZ2 LYS A 80 9.637 11.672 10.445 1.00 31.10 H new ATOM 0 HZ3 LYS A 80 8.891 12.056 11.921 1.00 31.10 H new ATOM 1160 N ASN A 81 9.710 17.372 5.984 1.00 55.20 N ATOM 1161 CA ASN A 81 10.755 18.250 5.473 1.00 60.50 C ATOM 1162 C ASN A 81 10.159 19.371 4.628 1.00 11.00 C ATOM 1163 O ASN A 81 8.939 19.495 4.514 1.00 73.50 O ATOM 1164 CB ASN A 81 11.762 17.451 4.644 1.00 5.43 C ATOM 1165 CG ASN A 81 13.183 17.943 4.827 1.00 63.30 C ATOM 1166 OD1 ASN A 81 13.430 19.147 4.907 1.00 52.40 O ATOM 1167 ND2 ASN A 81 14.128 17.012 4.894 1.00 32.20 N ATOM 0 H ASN A 81 9.610 16.494 5.475 1.00 55.20 H new ATOM 0 HA ASN A 81 11.269 18.695 6.325 1.00 60.50 H new ATOM 0 HB2 ASN A 81 11.706 16.399 4.925 1.00 5.43 H new ATOM 0 HB3 ASN A 81 11.492 17.514 3.590 1.00 5.43 H new ATOM 0 HD21 ASN A 81 15.104 17.283 5.016 1.00 32.20 H new ATOM 0 HD22 ASN A 81 13.878 16.026 4.823 1.00 32.20 H new ATOM 1175 N ASP B 116 8.787 -10.904 -1.338 1.00 12.10 N ATOM 1176 CA ASP B 116 7.625 -10.434 -0.594 1.00 63.30 C ATOM 1177 C ASP B 116 8.050 -9.771 0.712 1.00 64.20 C ATOM 1178 O ASP B 116 7.390 -8.851 1.193 1.00 32.10 O ATOM 1179 CB ASP B 116 6.675 -11.597 -0.302 1.00 55.10 C ATOM 1180 CG ASP B 116 5.403 -11.145 0.389 1.00 53.00 C ATOM 1181 OD1 ASP B 116 5.484 -10.731 1.564 1.00 15.40 O ATOM 1182 OD2 ASP B 116 4.329 -11.209 -0.244 1.00 42.50 O ATOM 0 HA ASP B 116 7.107 -9.696 -1.206 1.00 63.30 H new ATOM 0 HB2 ASP B 116 6.420 -12.097 -1.236 1.00 55.10 H new ATOM 0 HB3 ASP B 116 7.184 -12.330 0.323 1.00 55.10 H new ATOM 1187 N GLU B 117 9.156 -10.241 1.280 1.00 1.33 N ATOM 1188 CA GLU B 117 9.666 -9.689 2.530 1.00 23.20 C ATOM 1189 C GLU B 117 9.992 -8.206 2.378 1.00 41.40 C ATOM 1190 O GLU B 117 9.787 -7.416 3.300 1.00 42.30 O ATOM 1191 CB GLU B 117 10.911 -10.453 2.977 1.00 45.10 C ATOM 1192 CG GLU B 117 11.022 -10.615 4.485 1.00 14.50 C ATOM 1193 CD GLU B 117 10.185 -11.759 5.012 1.00 3.04 C ATOM 1194 OE1 GLU B 117 10.065 -12.779 4.303 1.00 11.30 O ATOM 1195 OE2 GLU B 117 9.653 -11.642 6.136 1.00 50.50 O ATOM 0 H GLU B 117 9.716 -11.002 0.895 1.00 1.33 H new ATOM 0 HA GLU B 117 8.890 -9.795 3.288 1.00 23.20 H new ATOM 0 HB2 GLU B 117 10.906 -11.440 2.514 1.00 45.10 H new ATOM 0 HB3 GLU B 117 11.796 -9.933 2.610 1.00 45.10 H new ATOM 0 HG2 GLU B 117 12.066 -10.780 4.753 1.00 14.50 H new ATOM 0 HG3 GLU B 117 10.711 -9.689 4.970 1.00 14.50 H new ATOM 1202 N GLU B 118 10.500 -7.832 1.207 1.00 23.20 N ATOM 1203 CA GLU B 118 10.858 -6.450 0.935 1.00 10.10 C ATOM 1204 C GLU B 118 9.635 -5.536 1.053 1.00 22.30 C ATOM 1205 O GLU B 118 9.687 -4.506 1.714 1.00 54.40 O ATOM 1206 CB GLU B 118 11.469 -6.323 -0.462 1.00 33.30 C ATOM 1207 CG GLU B 118 12.980 -6.489 -0.483 1.00 30.30 C ATOM 1208 CD GLU B 118 13.707 -5.160 -0.603 1.00 64.40 C ATOM 1209 OE1 GLU B 118 13.210 -4.272 -1.327 1.00 3.03 O ATOM 1210 OE2 GLU B 118 14.779 -5.018 0.027 1.00 3.32 O ATOM 0 H GLU B 118 10.672 -8.472 0.431 1.00 23.20 H new ATOM 0 HA GLU B 118 11.595 -6.140 1.676 1.00 10.10 H new ATOM 0 HB2 GLU B 118 11.021 -7.072 -1.115 1.00 33.30 H new ATOM 0 HB3 GLU B 118 11.213 -5.347 -0.874 1.00 33.30 H new ATOM 0 HG2 GLU B 118 13.300 -6.994 0.428 1.00 30.30 H new ATOM 0 HG3 GLU B 118 13.261 -7.130 -1.318 1.00 30.30 H new ATOM 1217 N ILE B 119 8.547 -5.943 0.410 1.00 64.30 N ATOM 1218 CA ILE B 119 7.314 -5.167 0.444 1.00 22.10 C ATOM 1219 C ILE B 119 6.690 -5.188 1.836 1.00 33.30 C ATOM 1220 O ILE B 119 6.222 -4.163 2.333 1.00 63.10 O ATOM 1221 CB ILE B 119 6.287 -5.698 -0.576 1.00 75.30 C ATOM 1222 CG1 ILE B 119 6.927 -5.826 -1.959 1.00 72.30 C ATOM 1223 CG2 ILE B 119 5.072 -4.783 -0.632 1.00 35.00 C ATOM 1224 CD1 ILE B 119 5.977 -6.333 -3.022 1.00 10.40 C ATOM 0 H ILE B 119 8.493 -6.801 -0.138 1.00 64.30 H new ATOM 0 HA ILE B 119 7.578 -4.142 0.182 1.00 22.10 H new ATOM 0 HB ILE B 119 5.959 -6.687 -0.255 1.00 75.30 H new ATOM 0 HG12 ILE B 119 7.313 -4.853 -2.263 1.00 72.30 H new ATOM 0 HG13 ILE B 119 7.780 -6.501 -1.894 1.00 72.30 H new ATOM 0 HG21 ILE B 119 4.357 -5.172 -1.357 1.00 35.00 H new ATOM 0 HG22 ILE B 119 4.604 -4.739 0.352 1.00 35.00 H new ATOM 0 HG23 ILE B 119 5.384 -3.782 -0.931 1.00 35.00 H new ATOM 0 HD11 ILE B 119 6.500 -6.398 -3.976 1.00 10.40 H new ATOM 0 HD12 ILE B 119 5.610 -7.320 -2.741 1.00 10.40 H new ATOM 0 HD13 ILE B 119 5.136 -5.646 -3.116 1.00 10.40 H new ATOM 1236 N GLU B 120 6.689 -6.360 2.460 1.00 70.50 N ATOM 1237 CA GLU B 120 6.124 -6.515 3.796 1.00 3.24 C ATOM 1238 C GLU B 120 6.906 -5.692 4.815 1.00 63.30 C ATOM 1239 O GLU B 120 6.345 -5.208 5.798 1.00 1.02 O ATOM 1240 CB GLU B 120 6.121 -7.984 4.205 1.00 34.40 C ATOM 1241 CG GLU B 120 4.996 -8.351 5.159 1.00 62.30 C ATOM 1242 CD GLU B 120 5.116 -7.647 6.498 1.00 73.30 C ATOM 1243 OE1 GLU B 120 5.887 -8.140 7.355 1.00 4.41 O ATOM 1244 OE2 GLU B 120 4.448 -6.620 6.692 1.00 52.30 O ATOM 0 H GLU B 120 7.073 -7.217 2.063 1.00 70.50 H new ATOM 0 HA GLU B 120 5.097 -6.152 3.773 1.00 3.24 H new ATOM 0 HB2 GLU B 120 6.042 -8.601 3.310 1.00 34.40 H new ATOM 0 HB3 GLU B 120 7.075 -8.223 4.674 1.00 34.40 H new ATOM 0 HG2 GLU B 120 4.039 -8.096 4.703 1.00 62.30 H new ATOM 0 HG3 GLU B 120 4.996 -9.429 5.318 1.00 62.30 H new ATOM 1251 N ARG B 121 8.203 -5.538 4.573 1.00 50.30 N ATOM 1252 CA ARG B 121 9.063 -4.774 5.471 1.00 21.00 C ATOM 1253 C ARG B 121 8.751 -3.283 5.382 1.00 40.20 C ATOM 1254 O ARG B 121 8.766 -2.575 6.390 1.00 61.20 O ATOM 1255 CB ARG B 121 10.534 -5.019 5.134 1.00 41.30 C ATOM 1256 CG ARG B 121 11.477 -4.709 6.283 1.00 13.40 C ATOM 1257 CD ARG B 121 12.785 -5.469 6.143 1.00 52.20 C ATOM 1258 NE ARG B 121 13.299 -5.926 7.436 1.00 31.40 N ATOM 1259 CZ ARG B 121 13.925 -5.135 8.304 1.00 3.24 C ATOM 1260 NH1 ARG B 121 14.116 -3.851 8.023 1.00 62.10 N ATOM 1261 NH2 ARG B 121 14.358 -5.629 9.457 1.00 63.40 N ATOM 0 H ARG B 121 8.682 -5.932 3.763 1.00 50.30 H new ATOM 0 HA ARG B 121 8.871 -5.109 6.490 1.00 21.00 H new ATOM 0 HB2 ARG B 121 10.663 -6.060 4.839 1.00 41.30 H new ATOM 0 HB3 ARG B 121 10.808 -4.408 4.274 1.00 41.30 H new ATOM 0 HG2 ARG B 121 11.677 -3.638 6.313 1.00 13.40 H new ATOM 0 HG3 ARG B 121 11.001 -4.971 7.228 1.00 13.40 H new ATOM 0 HD2 ARG B 121 12.636 -6.328 5.489 1.00 52.20 H new ATOM 0 HD3 ARG B 121 13.526 -4.829 5.665 1.00 52.20 H new ATOM 0 HE ARG B 121 13.170 -6.907 7.685 1.00 31.40 H new ATOM 0 HH11 ARG B 121 13.782 -3.467 7.139 1.00 62.10 H new ATOM 0 HH12 ARG B 121 14.596 -3.249 8.691 1.00 62.10 H new ATOM 0 HH21 ARG B 121 14.211 -6.614 9.677 1.00 63.40 H new ATOM 0 HH22 ARG B 121 14.838 -5.024 10.123 1.00 63.40 H new ATOM 1275 N GLN B 122 8.470 -2.813 4.172 1.00 11.40 N ATOM 1276 CA GLN B 122 8.155 -1.406 3.953 1.00 33.20 C ATOM 1277 C GLN B 122 6.921 -0.994 4.748 1.00 61.00 C ATOM 1278 O GLN B 122 6.901 0.061 5.381 1.00 43.10 O ATOM 1279 CB GLN B 122 7.929 -1.138 2.463 1.00 22.10 C ATOM 1280 CG GLN B 122 8.968 -1.786 1.563 1.00 31.30 C ATOM 1281 CD GLN B 122 9.436 -0.864 0.454 1.00 10.40 C ATOM 1282 OE1 GLN B 122 10.488 -0.234 0.557 1.00 3.13 O ATOM 1283 NE2 GLN B 122 8.653 -0.780 -0.615 1.00 53.10 N ATOM 0 H GLN B 122 8.454 -3.385 3.328 1.00 11.40 H new ATOM 0 HA GLN B 122 9.002 -0.812 4.298 1.00 33.20 H new ATOM 0 HB2 GLN B 122 6.940 -1.502 2.183 1.00 22.10 H new ATOM 0 HB3 GLN B 122 7.933 -0.062 2.291 1.00 22.10 H new ATOM 0 HG2 GLN B 122 9.825 -2.089 2.164 1.00 31.30 H new ATOM 0 HG3 GLN B 122 8.549 -2.692 1.125 1.00 31.30 H new ATOM 0 HE21 GLN B 122 7.789 -1.321 -0.658 1.00 53.10 H new ATOM 0 HE22 GLN B 122 8.915 -0.175 -1.393 1.00 53.10 H new ATOM 1292 N LEU B 123 5.892 -1.835 4.711 1.00 51.40 N ATOM 1293 CA LEU B 123 4.652 -1.559 5.429 1.00 65.40 C ATOM 1294 C LEU B 123 4.908 -1.435 6.928 1.00 73.50 C ATOM 1295 O LEU B 123 4.439 -0.497 7.571 1.00 22.20 O ATOM 1296 CB LEU B 123 3.630 -2.665 5.164 1.00 63.30 C ATOM 1297 CG LEU B 123 2.778 -2.471 3.908 1.00 1.11 C ATOM 1298 CD1 LEU B 123 2.455 -3.813 3.269 1.00 52.20 C ATOM 1299 CD2 LEU B 123 1.499 -1.718 4.244 1.00 44.20 C ATOM 0 H LEU B 123 5.892 -2.713 4.192 1.00 51.40 H new ATOM 0 HA LEU B 123 4.254 -0.611 5.067 1.00 65.40 H new ATOM 0 HB2 LEU B 123 4.158 -3.615 5.083 1.00 63.30 H new ATOM 0 HB3 LEU B 123 2.967 -2.741 6.026 1.00 63.30 H new ATOM 0 HG LEU B 123 3.349 -1.879 3.193 1.00 1.11 H new ATOM 0 HD11 LEU B 123 1.848 -3.655 2.377 1.00 52.20 H new ATOM 0 HD12 LEU B 123 3.381 -4.317 2.993 1.00 52.20 H new ATOM 0 HD13 LEU B 123 1.903 -4.430 3.978 1.00 52.20 H new ATOM 0 HD21 LEU B 123 0.905 -1.589 3.339 1.00 44.20 H new ATOM 0 HD22 LEU B 123 0.925 -2.285 4.977 1.00 44.20 H new ATOM 0 HD23 LEU B 123 1.750 -0.741 4.656 1.00 44.20 H new ATOM 1311 N LYS B 124 5.656 -2.387 7.476 1.00 34.30 N ATOM 1312 CA LYS B 124 5.974 -2.384 8.899 1.00 34.40 C ATOM 1313 C LYS B 124 6.889 -1.214 9.249 1.00 25.30 C ATOM 1314 O LYS B 124 6.829 -0.675 10.354 1.00 63.50 O ATOM 1315 CB LYS B 124 6.638 -3.703 9.298 1.00 22.20 C ATOM 1316 CG LYS B 124 6.246 -4.185 10.686 1.00 2.11 C ATOM 1317 CD LYS B 124 7.402 -4.892 11.376 1.00 30.50 C ATOM 1318 CE LYS B 124 7.348 -4.704 12.883 1.00 70.20 C ATOM 1319 NZ LYS B 124 7.779 -5.927 13.611 1.00 15.40 N ATOM 0 H LYS B 124 6.053 -3.170 6.957 1.00 34.30 H new ATOM 0 HA LYS B 124 5.042 -2.272 9.454 1.00 34.40 H new ATOM 0 HB2 LYS B 124 6.374 -4.469 8.568 1.00 22.20 H new ATOM 0 HB3 LYS B 124 7.721 -3.583 9.256 1.00 22.20 H new ATOM 0 HG2 LYS B 124 5.924 -3.336 11.290 1.00 2.11 H new ATOM 0 HG3 LYS B 124 5.396 -4.863 10.611 1.00 2.11 H new ATOM 0 HD2 LYS B 124 7.373 -5.956 11.139 1.00 30.50 H new ATOM 0 HD3 LYS B 124 8.347 -4.506 10.993 1.00 30.50 H new ATOM 0 HE2 LYS B 124 7.987 -3.868 13.168 1.00 70.20 H new ATOM 0 HE3 LYS B 124 6.332 -4.444 13.180 1.00 70.20 H new ATOM 0 HZ1 LYS B 124 7.728 -5.757 14.636 1.00 15.40 H new ATOM 0 HZ2 LYS B 124 7.154 -6.719 13.360 1.00 15.40 H new ATOM 0 HZ3 LYS B 124 8.757 -6.161 13.347 1.00 15.40 H new ATOM 1333 N ALA B 125 7.736 -0.828 8.301 1.00 35.50 N ATOM 1334 CA ALA B 125 8.664 0.277 8.509 1.00 73.20 C ATOM 1335 C ALA B 125 7.931 1.614 8.521 1.00 11.10 C ATOM 1336 O ALA B 125 8.345 2.553 9.201 1.00 33.00 O ATOM 1337 CB ALA B 125 9.739 0.272 7.432 1.00 33.30 C ATOM 0 H ALA B 125 7.799 -1.264 7.381 1.00 35.50 H new ATOM 0 HA ALA B 125 9.138 0.144 9.481 1.00 73.20 H new ATOM 0 HB1 ALA B 125 10.425 1.102 7.599 1.00 33.30 H new ATOM 0 HB2 ALA B 125 10.290 -0.668 7.472 1.00 33.30 H new ATOM 0 HB3 ALA B 125 9.273 0.378 6.452 1.00 33.30 H new ATOM 1343 N LEU B 126 6.841 1.693 7.764 1.00 11.40 N ATOM 1344 CA LEU B 126 6.051 2.917 7.688 1.00 61.40 C ATOM 1345 C LEU B 126 5.131 3.045 8.898 1.00 23.20 C ATOM 1346 O LEU B 126 4.844 4.150 9.358 1.00 3.40 O ATOM 1347 CB LEU B 126 5.225 2.936 6.400 1.00 71.00 C ATOM 1348 CG LEU B 126 5.941 3.519 5.181 1.00 3.34 C ATOM 1349 CD1 LEU B 126 5.394 2.911 3.899 1.00 45.00 C ATOM 1350 CD2 LEU B 126 5.803 5.033 5.157 1.00 1.51 C ATOM 0 H LEU B 126 6.485 0.925 7.195 1.00 11.40 H new ATOM 0 HA LEU B 126 6.737 3.764 7.684 1.00 61.40 H new ATOM 0 HB2 LEU B 126 4.917 1.916 6.168 1.00 71.00 H new ATOM 0 HB3 LEU B 126 4.316 3.511 6.578 1.00 71.00 H new ATOM 0 HG LEU B 126 7.000 3.271 5.252 1.00 3.34 H new ATOM 0 HD11 LEU B 126 5.916 3.338 3.042 1.00 45.00 H new ATOM 0 HD12 LEU B 126 5.545 1.832 3.915 1.00 45.00 H new ATOM 0 HD13 LEU B 126 4.329 3.127 3.820 1.00 45.00 H new ATOM 0 HD21 LEU B 126 6.318 5.432 4.283 1.00 1.51 H new ATOM 0 HD22 LEU B 126 4.748 5.301 5.110 1.00 1.51 H new ATOM 0 HD23 LEU B 126 6.244 5.453 6.061 1.00 1.51 H new