USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 0 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 58 THR OG1 : rot -102:sc= 1.02 USER MOD Set 1.2: A 61 SER OG : rot 85:sc= 0.717 USER MOD Single : A 8 SER OG : rot 45:sc= 0.106 USER MOD Single : A 10 SER OG : rot -54:sc= 0.433 USER MOD Single : A 11 ASN : amide:sc= 0.0221 K(o=0.022,f=-4.7!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.817 K(o=-0.82,f=-3) USER MOD Single : A 35 GLN : amide:sc= -0.46 K(o=-0.46,f=-2.5!) USER MOD Single : A 39 LYS NZ :NH3+ -152:sc= 1.27 (180deg=-0.16) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -4.54! C(o=-8.4!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 23 N CYS A 4 0.606 -9.409 -5.134 1.00 0.00 N ATOM 24 CA CYS A 4 1.113 -10.205 -6.240 1.00 0.00 C ATOM 25 C CYS A 4 0.118 -10.107 -7.398 1.00 0.00 C ATOM 26 O CYS A 4 -1.047 -10.475 -7.252 1.00 0.00 O ATOM 27 CB CYS A 4 1.365 -11.655 -5.825 1.00 0.00 C ATOM 28 SG CYS A 4 2.684 -11.877 -4.576 1.00 0.00 S ATOM 0 HA CYS A 4 2.080 -9.815 -6.559 1.00 0.00 H new ATOM 0 HB2 CYS A 4 0.438 -12.072 -5.432 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.623 -12.233 -6.713 1.00 0.00 H new ATOM 29 N ASP A 5 0.613 -9.610 -8.522 1.00 0.00 N ATOM 30 CA ASP A 5 -0.166 -9.614 -9.749 1.00 0.00 C ATOM 31 C ASP A 5 0.589 -10.396 -10.825 1.00 0.00 C ATOM 32 O ASP A 5 0.311 -10.250 -12.014 1.00 0.00 O ATOM 33 CB ASP A 5 -0.387 -8.192 -10.265 1.00 0.00 C ATOM 34 CG ASP A 5 -1.145 -7.266 -9.311 1.00 0.00 C ATOM 35 OD1 ASP A 5 -0.465 -6.861 -8.291 1.00 0.00 O ATOM 36 OD2 ASP A 5 -2.322 -6.949 -9.529 1.00 0.00 O ATOM 0 H ASP A 5 1.544 -9.202 -8.609 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.131 -10.074 -9.534 1.00 0.00 H new ATOM 0 HB2 ASP A 5 0.583 -7.747 -10.484 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.934 -8.245 -11.207 1.00 0.00 H new ATOM 37 N CYS A 6 1.531 -11.209 -10.369 1.00 0.00 N ATOM 38 CA CYS A 6 2.344 -11.997 -11.279 1.00 0.00 C ATOM 39 C CYS A 6 1.553 -13.246 -11.672 1.00 0.00 C ATOM 40 O CYS A 6 0.837 -13.815 -10.851 1.00 0.00 O ATOM 41 CB CYS A 6 3.700 -12.350 -10.665 1.00 0.00 C ATOM 42 SG CYS A 6 4.628 -10.928 -9.982 1.00 0.00 S ATOM 0 H CYS A 6 1.749 -11.339 -9.381 1.00 0.00 H new ATOM 0 HA CYS A 6 2.565 -11.412 -12.172 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.544 -13.079 -9.870 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.313 -12.834 -11.426 1.00 0.00 H new ATOM 43 N GLY A 7 1.708 -13.634 -12.930 1.00 0.00 N ATOM 44 CA GLY A 7 1.008 -14.798 -13.445 1.00 0.00 C ATOM 45 C GLY A 7 1.994 -15.845 -13.966 1.00 0.00 C ATOM 46 O GLY A 7 1.601 -16.786 -14.654 1.00 0.00 O ATOM 0 H GLY A 7 2.308 -13.163 -13.607 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.392 -15.233 -12.659 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.335 -14.496 -14.247 1.00 0.00 H new ATOM 47 N SER A 8 3.257 -15.647 -13.616 1.00 0.00 N ATOM 48 CA SER A 8 4.304 -16.559 -14.045 1.00 0.00 C ATOM 49 C SER A 8 5.557 -16.356 -13.190 1.00 0.00 C ATOM 50 O SER A 8 5.721 -15.313 -12.561 1.00 0.00 O ATOM 51 CB SER A 8 4.634 -16.362 -15.526 1.00 0.00 C ATOM 52 OG SER A 8 4.065 -17.383 -16.340 1.00 0.00 O ATOM 0 H SER A 8 3.579 -14.869 -13.040 1.00 0.00 H new ATOM 0 HA SER A 8 3.944 -17.579 -13.914 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.265 -15.390 -15.853 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.716 -16.354 -15.658 1.00 0.00 H new ATOM 0 HG SER A 8 3.135 -17.536 -16.070 1.00 0.00 H new ATOM 53 N PRO A 9 6.432 -17.397 -13.196 1.00 0.00 N ATOM 54 CA PRO A 9 7.693 -17.319 -12.479 1.00 0.00 C ATOM 55 C PRO A 9 8.692 -16.431 -13.221 1.00 0.00 C ATOM 56 O PRO A 9 9.409 -15.644 -12.602 1.00 0.00 O ATOM 57 CB PRO A 9 8.161 -18.760 -12.349 1.00 0.00 C ATOM 58 CG PRO A 9 7.389 -19.545 -13.397 1.00 0.00 C ATOM 59 CD PRO A 9 6.245 -18.671 -13.884 1.00 0.00 C ATOM 0 HA PRO A 9 7.591 -16.857 -11.497 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.235 -18.838 -12.515 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.964 -19.146 -11.349 1.00 0.00 H new ATOM 0 HG2 PRO A 9 8.041 -19.818 -14.227 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.007 -20.474 -12.973 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.276 -18.545 -14.966 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.278 -19.113 -13.642 1.00 0.00 H new ATOM 60 N SER A 10 8.708 -16.584 -14.537 1.00 0.00 N ATOM 61 CA SER A 10 9.610 -15.806 -15.370 1.00 0.00 C ATOM 62 C SER A 10 8.879 -14.585 -15.934 1.00 0.00 C ATOM 63 O SER A 10 9.056 -14.235 -17.100 1.00 0.00 O ATOM 64 CB SER A 10 10.180 -16.656 -16.508 1.00 0.00 C ATOM 65 OG SER A 10 11.195 -15.965 -17.231 1.00 0.00 O ATOM 0 H SER A 10 8.111 -17.235 -15.047 1.00 0.00 H new ATOM 0 HA SER A 10 10.442 -15.470 -14.752 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.590 -17.580 -16.101 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.376 -16.937 -17.189 1.00 0.00 H new ATOM 0 HG SER A 10 10.847 -15.103 -17.540 1.00 0.00 H new ATOM 66 N ASN A 11 8.071 -13.972 -15.080 1.00 0.00 N ATOM 67 CA ASN A 11 7.373 -12.754 -15.455 1.00 0.00 C ATOM 68 C ASN A 11 8.394 -11.689 -15.858 1.00 0.00 C ATOM 69 O ASN A 11 9.300 -11.370 -15.090 1.00 0.00 O ATOM 70 CB ASN A 11 6.556 -12.206 -14.283 1.00 0.00 C ATOM 71 CG ASN A 11 5.057 -12.278 -14.577 1.00 0.00 C ATOM 72 OD1 ASN A 11 4.366 -13.207 -14.194 1.00 0.00 O ATOM 73 ND2 ASN A 11 4.594 -11.248 -15.280 1.00 0.00 N ATOM 0 H ASN A 11 7.885 -14.296 -14.131 1.00 0.00 H new ATOM 0 HA ASN A 11 6.704 -12.989 -16.283 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.781 -12.775 -13.381 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.842 -11.173 -14.087 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.606 -11.204 -15.529 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.227 -10.502 -15.570 1.00 0.00 H new ATOM 74 N PRO A 12 8.209 -11.155 -17.096 1.00 0.00 N ATOM 75 CA PRO A 12 9.095 -10.123 -17.604 1.00 0.00 C ATOM 76 C PRO A 12 8.803 -8.775 -16.942 1.00 0.00 C ATOM 77 O PRO A 12 9.672 -7.907 -16.881 1.00 0.00 O ATOM 78 CB PRO A 12 8.861 -10.108 -19.106 1.00 0.00 C ATOM 79 CG PRO A 12 7.527 -10.803 -19.327 1.00 0.00 C ATOM 80 CD PRO A 12 7.158 -11.521 -18.039 1.00 0.00 C ATOM 0 HA PRO A 12 10.143 -10.321 -17.379 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.837 -9.087 -19.487 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.663 -10.626 -19.631 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.758 -10.078 -19.594 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.597 -11.511 -20.152 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.177 -11.210 -17.679 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.116 -12.600 -18.186 1.00 0.00 H new ATOM 81 N CYS A 13 7.576 -8.641 -16.461 1.00 0.00 N ATOM 82 CA CYS A 13 7.128 -7.383 -15.888 1.00 0.00 C ATOM 83 C CYS A 13 7.606 -7.319 -14.437 1.00 0.00 C ATOM 84 O CYS A 13 8.373 -6.430 -14.070 1.00 0.00 O ATOM 85 CB CYS A 13 5.611 -7.219 -15.998 1.00 0.00 C ATOM 86 SG CYS A 13 5.027 -5.486 -16.049 1.00 0.00 S ATOM 0 H CYS A 13 6.877 -9.384 -16.456 1.00 0.00 H new ATOM 0 HA CYS A 13 7.558 -6.552 -16.448 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.269 -7.729 -16.898 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.143 -7.720 -15.151 1.00 0.00 H new ATOM 87 N CYS A 14 7.132 -8.274 -13.649 1.00 0.00 N ATOM 88 CA CYS A 14 7.428 -8.286 -12.226 1.00 0.00 C ATOM 89 C CYS A 14 8.692 -9.121 -12.007 1.00 0.00 C ATOM 90 O CYS A 14 9.014 -9.990 -12.815 1.00 0.00 O ATOM 91 CB CYS A 14 6.248 -8.810 -11.407 1.00 0.00 C ATOM 92 SG CYS A 14 6.111 -10.634 -11.340 1.00 0.00 S ATOM 0 H CYS A 14 6.545 -9.045 -13.969 1.00 0.00 H new ATOM 0 HA CYS A 14 7.601 -7.268 -11.878 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.332 -8.428 -10.389 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.326 -8.405 -11.824 1.00 0.00 H new ATOM 93 N ASP A 15 9.372 -8.828 -10.909 1.00 0.00 N ATOM 94 CA ASP A 15 10.562 -9.579 -10.542 1.00 0.00 C ATOM 95 C ASP A 15 10.159 -10.761 -9.659 1.00 0.00 C ATOM 96 O ASP A 15 9.148 -10.704 -8.961 1.00 0.00 O ATOM 97 CB ASP A 15 11.541 -8.709 -9.752 1.00 0.00 C ATOM 98 CG ASP A 15 12.983 -9.218 -9.726 1.00 0.00 C ATOM 99 OD1 ASP A 15 13.233 -10.101 -8.819 1.00 0.00 O ATOM 100 OD2 ASP A 15 13.825 -8.795 -10.532 1.00 0.00 O ATOM 0 H ASP A 15 9.122 -8.081 -10.261 1.00 0.00 H new ATOM 0 HA ASP A 15 11.043 -9.919 -11.459 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.534 -7.705 -10.175 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.183 -8.625 -8.726 1.00 0.00 H new ATOM 101 N ALA A 16 10.973 -11.805 -9.717 1.00 0.00 N ATOM 102 CA ALA A 16 10.695 -13.014 -8.960 1.00 0.00 C ATOM 103 C ALA A 16 11.353 -12.910 -7.582 1.00 0.00 C ATOM 104 O ALA A 16 12.220 -13.714 -7.242 1.00 0.00 O ATOM 105 CB ALA A 16 11.179 -14.233 -9.747 1.00 0.00 C ATOM 0 H ALA A 16 11.825 -11.839 -10.277 1.00 0.00 H new ATOM 0 HA ALA A 16 9.622 -13.132 -8.805 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.970 -15.139 -9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.660 -14.277 -10.704 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.252 -14.152 -9.919 1.00 0.00 H new ATOM 106 N ALA A 17 10.917 -11.914 -6.826 1.00 0.00 N ATOM 107 CA ALA A 17 11.438 -11.706 -5.486 1.00 0.00 C ATOM 108 C ALA A 17 10.388 -10.983 -4.641 1.00 0.00 C ATOM 109 O ALA A 17 9.972 -11.484 -3.598 1.00 0.00 O ATOM 110 CB ALA A 17 12.756 -10.933 -5.565 1.00 0.00 C ATOM 0 H ALA A 17 10.208 -11.241 -7.116 1.00 0.00 H new ATOM 0 HA ALA A 17 11.648 -12.661 -5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.147 -10.777 -4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.477 -11.503 -6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 17 12.584 -9.968 -6.041 1.00 0.00 H new ATOM 111 N THR A 18 9.989 -9.815 -5.123 1.00 0.00 N ATOM 112 CA THR A 18 8.995 -9.017 -4.425 1.00 0.00 C ATOM 113 C THR A 18 7.584 -9.495 -4.776 1.00 0.00 C ATOM 114 O THR A 18 6.650 -9.303 -4.000 1.00 0.00 O ATOM 115 CB THR A 18 9.241 -7.547 -4.771 1.00 0.00 C ATOM 116 OG1 THR A 18 10.650 -7.387 -4.625 1.00 0.00 O ATOM 117 CG2 THR A 18 8.649 -6.594 -3.731 1.00 0.00 C ATOM 0 H THR A 18 10.336 -9.402 -5.989 1.00 0.00 H new ATOM 0 HA THR A 18 9.084 -9.132 -3.345 1.00 0.00 H new ATOM 0 HB THR A 18 8.813 -7.328 -5.749 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.897 -6.462 -4.832 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.852 -5.564 -4.024 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.572 -6.748 -3.668 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.101 -6.790 -2.759 1.00 0.00 H new ATOM 118 N CYS A 19 7.476 -10.110 -5.945 1.00 0.00 N ATOM 119 CA CYS A 19 6.218 -10.706 -6.362 1.00 0.00 C ATOM 120 C CYS A 19 5.278 -9.582 -6.803 1.00 0.00 C ATOM 121 O CYS A 19 4.147 -9.839 -7.212 1.00 0.00 O ATOM 122 CB CYS A 19 5.603 -11.563 -5.256 1.00 0.00 C ATOM 123 SG CYS A 19 4.208 -12.622 -5.790 1.00 0.00 S ATOM 0 H CYS A 19 8.238 -10.208 -6.616 1.00 0.00 H new ATOM 0 HA CYS A 19 6.393 -11.382 -7.199 1.00 0.00 H new ATOM 0 HB2 CYS A 19 6.381 -12.198 -4.833 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.257 -10.907 -4.457 1.00 0.00 H new ATOM 124 N LYS A 20 5.781 -8.360 -6.704 1.00 0.00 N ATOM 125 CA LYS A 20 4.958 -7.189 -6.960 1.00 0.00 C ATOM 126 C LYS A 20 5.540 -6.411 -8.140 1.00 0.00 C ATOM 127 O LYS A 20 6.643 -5.874 -8.050 1.00 0.00 O ATOM 128 CB LYS A 20 4.804 -6.354 -5.687 1.00 0.00 C ATOM 129 CG LYS A 20 3.941 -7.082 -4.654 1.00 0.00 C ATOM 130 CD LYS A 20 4.077 -6.435 -3.274 1.00 0.00 C ATOM 131 CE LYS A 20 3.389 -5.070 -3.237 1.00 0.00 C ATOM 132 NZ LYS A 20 3.368 -4.537 -1.857 1.00 0.00 N ATOM 0 H LYS A 20 6.747 -8.155 -6.450 1.00 0.00 H new ATOM 0 HA LYS A 20 3.948 -7.487 -7.242 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.787 -6.146 -5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.352 -5.393 -5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.897 -7.062 -4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.238 -8.129 -4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.639 -7.087 -2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.132 -6.321 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.912 -4.375 -3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.370 -5.159 -3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.897 -3.610 -1.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.849 -5.193 -1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.343 -4.433 -1.510 1.00 0.00 H new ATOM 133 N LEU A 21 4.773 -6.374 -9.220 1.00 0.00 N ATOM 134 CA LEU A 21 5.156 -5.591 -10.383 1.00 0.00 C ATOM 135 C LEU A 21 5.496 -4.166 -9.944 1.00 0.00 C ATOM 136 O LEU A 21 4.909 -3.648 -8.996 1.00 0.00 O ATOM 137 CB LEU A 21 4.068 -5.661 -11.456 1.00 0.00 C ATOM 138 CG LEU A 21 2.789 -4.872 -11.168 1.00 0.00 C ATOM 139 CD1 LEU A 21 2.254 -5.188 -9.770 1.00 0.00 C ATOM 140 CD2 LEU A 21 3.013 -3.373 -11.371 1.00 0.00 C ATOM 0 H LEU A 21 3.889 -6.873 -9.314 1.00 0.00 H new ATOM 0 HA LEU A 21 6.053 -6.005 -10.843 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.489 -5.302 -12.395 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.800 -6.707 -11.606 1.00 0.00 H new ATOM 0 HG LEU A 21 2.027 -5.183 -11.882 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.345 -4.614 -9.590 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.032 -6.253 -9.698 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.004 -4.922 -9.025 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.089 -2.835 -11.160 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.796 -3.027 -10.696 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.314 -3.186 -12.402 1.00 0.00 H new ATOM 141 N ARG A 22 6.443 -3.571 -10.656 1.00 0.00 N ATOM 142 CA ARG A 22 7.026 -2.313 -10.223 1.00 0.00 C ATOM 143 C ARG A 22 6.218 -1.137 -10.775 1.00 0.00 C ATOM 144 O ARG A 22 5.442 -1.299 -11.715 1.00 0.00 O ATOM 145 CB ARG A 22 8.478 -2.190 -10.689 1.00 0.00 C ATOM 146 CG ARG A 22 8.552 -1.640 -12.115 1.00 0.00 C ATOM 147 CD ARG A 22 9.978 -1.724 -12.661 1.00 0.00 C ATOM 148 NE ARG A 22 10.856 -0.782 -11.930 1.00 0.00 N ATOM 149 CZ ARG A 22 10.781 0.552 -12.036 1.00 0.00 C ATOM 150 NH1 ARG A 22 9.996 1.107 -12.970 1.00 0.00 N ATOM 151 NH2 ARG A 22 11.491 1.330 -11.209 1.00 0.00 N ATOM 0 H ARG A 22 6.821 -3.938 -11.530 1.00 0.00 H new ATOM 0 HA ARG A 22 7.004 -2.294 -9.133 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.026 -1.533 -10.013 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.961 -3.166 -10.646 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.878 -2.202 -12.761 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.215 -0.604 -12.127 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.356 -2.741 -12.558 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.983 -1.488 -13.725 1.00 0.00 H new ATOM 0 HE ARG A 22 11.562 -1.173 -11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.456 0.514 -13.600 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.939 2.122 -13.051 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.089 0.907 -10.499 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.434 2.345 -11.289 1.00 0.00 H new ATOM 152 N PRO A 23 6.437 0.052 -10.152 1.00 0.00 N ATOM 153 CA PRO A 23 5.780 1.267 -10.607 1.00 0.00 C ATOM 154 C PRO A 23 6.421 1.785 -11.897 1.00 0.00 C ATOM 155 O PRO A 23 7.597 2.141 -11.910 1.00 0.00 O ATOM 156 CB PRO A 23 5.907 2.241 -9.448 1.00 0.00 C ATOM 157 CG PRO A 23 7.027 1.702 -8.572 1.00 0.00 C ATOM 158 CD PRO A 23 7.309 0.271 -9.003 1.00 0.00 C ATOM 0 HA PRO A 23 4.732 1.109 -10.863 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.139 3.245 -9.805 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.973 2.309 -8.890 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.922 2.315 -8.676 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.739 1.734 -7.521 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.357 0.137 -9.270 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.092 -0.434 -8.201 1.00 0.00 H new ATOM 159 N GLY A 24 5.616 1.812 -12.950 1.00 0.00 N ATOM 160 CA GLY A 24 6.143 2.007 -14.290 1.00 0.00 C ATOM 161 C GLY A 24 5.280 1.289 -15.329 1.00 0.00 C ATOM 162 O GLY A 24 5.014 1.832 -16.401 1.00 0.00 O ATOM 0 H GLY A 24 4.603 1.702 -12.902 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.182 3.072 -14.518 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.166 1.633 -14.340 1.00 0.00 H new ATOM 163 N ALA A 25 4.865 0.082 -14.976 1.00 0.00 N ATOM 164 CA ALA A 25 3.831 -0.605 -15.731 1.00 0.00 C ATOM 165 C ALA A 25 2.476 -0.377 -15.056 1.00 0.00 C ATOM 166 O ALA A 25 2.409 0.190 -13.967 1.00 0.00 O ATOM 167 CB ALA A 25 4.184 -2.090 -15.844 1.00 0.00 C ATOM 0 H ALA A 25 5.226 -0.438 -14.177 1.00 0.00 H new ATOM 0 HA ALA A 25 3.766 -0.207 -16.744 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.409 -2.606 -16.410 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.140 -2.199 -16.356 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.255 -2.524 -14.847 1.00 0.00 H new ATOM 168 N GLN A 26 1.432 -0.831 -15.733 1.00 0.00 N ATOM 169 CA GLN A 26 0.086 -0.707 -15.201 1.00 0.00 C ATOM 170 C GLN A 26 -0.256 -1.917 -14.331 1.00 0.00 C ATOM 171 O GLN A 26 -1.020 -1.803 -13.372 1.00 0.00 O ATOM 172 CB GLN A 26 -0.935 -0.536 -16.327 1.00 0.00 C ATOM 173 CG GLN A 26 -1.694 0.785 -16.186 1.00 0.00 C ATOM 174 CD GLN A 26 -2.513 0.812 -14.894 1.00 0.00 C ATOM 175 OE1 GLN A 26 -2.966 -0.205 -14.395 1.00 0.00 O ATOM 176 NE2 GLN A 26 -2.675 2.029 -14.381 1.00 0.00 N ATOM 0 H GLN A 26 1.491 -1.285 -16.645 1.00 0.00 H new ATOM 0 HA GLN A 26 0.045 0.186 -14.578 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.427 -0.566 -17.291 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.640 -1.367 -16.312 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.989 1.616 -16.191 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.354 0.922 -17.042 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.269 2.838 -14.850 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.205 2.152 -13.519 1.00 0.00 H new ATOM 177 N CYS A 27 0.326 -3.050 -14.694 1.00 0.00 N ATOM 178 CA CYS A 27 0.044 -4.294 -13.996 1.00 0.00 C ATOM 179 C CYS A 27 1.029 -5.355 -14.492 1.00 0.00 C ATOM 180 O CYS A 27 1.896 -5.067 -15.316 1.00 0.00 O ATOM 181 CB CYS A 27 -1.409 -4.731 -14.184 1.00 0.00 C ATOM 182 SG CYS A 27 -1.944 -4.888 -15.926 1.00 0.00 S ATOM 0 H CYS A 27 0.992 -3.133 -15.462 1.00 0.00 H new ATOM 0 HA CYS A 27 0.174 -4.151 -12.923 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.552 -5.690 -13.687 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.057 -4.012 -13.683 1.00 0.00 H new ATOM 183 N ALA A 28 0.863 -6.561 -13.967 1.00 0.00 N ATOM 184 CA ALA A 28 1.701 -7.676 -14.374 1.00 0.00 C ATOM 185 C ALA A 28 0.847 -8.708 -15.113 1.00 0.00 C ATOM 186 O ALA A 28 1.093 -8.999 -16.281 1.00 0.00 O ATOM 187 CB ALA A 28 2.396 -8.266 -13.146 1.00 0.00 C ATOM 0 H ALA A 28 0.161 -6.790 -13.264 1.00 0.00 H new ATOM 0 HA ALA A 28 2.479 -7.341 -15.060 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.025 -9.103 -13.451 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.013 -7.501 -12.675 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.646 -8.615 -12.436 1.00 0.00 H new ATOM 188 N ASP A 29 -0.138 -9.232 -14.399 1.00 0.00 N ATOM 189 CA ASP A 29 -1.064 -10.186 -14.988 1.00 0.00 C ATOM 190 C ASP A 29 -2.338 -10.243 -14.142 1.00 0.00 C ATOM 191 O ASP A 29 -2.296 -10.009 -12.936 1.00 0.00 O ATOM 192 CB ASP A 29 -0.458 -11.590 -15.027 1.00 0.00 C ATOM 193 CG ASP A 29 -1.185 -12.583 -15.936 1.00 0.00 C ATOM 194 OD1 ASP A 29 -2.279 -13.066 -15.608 1.00 0.00 O ATOM 195 OD2 ASP A 29 -0.574 -12.862 -17.036 1.00 0.00 O ATOM 0 H ASP A 29 -0.316 -9.015 -13.418 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.283 -9.860 -16.005 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.579 -11.513 -15.354 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.443 -11.991 -14.014 1.00 0.00 H new ATOM 196 N GLY A 30 -3.439 -10.557 -14.808 1.00 0.00 N ATOM 197 CA GLY A 30 -4.729 -10.606 -14.142 1.00 0.00 C ATOM 198 C GLY A 30 -5.709 -11.497 -14.907 1.00 0.00 C ATOM 199 O GLY A 30 -6.917 -11.426 -14.690 1.00 0.00 O ATOM 0 H GLY A 30 -3.464 -10.780 -15.803 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.604 -10.985 -13.128 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.137 -9.599 -14.058 1.00 0.00 H new ATOM 200 N LEU A 31 -5.151 -12.315 -15.787 1.00 0.00 N ATOM 201 CA LEU A 31 -5.946 -12.966 -16.814 1.00 0.00 C ATOM 202 C LEU A 31 -6.631 -11.901 -17.673 1.00 0.00 C ATOM 203 O LEU A 31 -7.450 -12.223 -18.533 1.00 0.00 O ATOM 204 CB LEU A 31 -6.918 -13.967 -16.185 1.00 0.00 C ATOM 205 CG LEU A 31 -6.323 -15.318 -15.785 1.00 0.00 C ATOM 206 CD1 LEU A 31 -7.088 -15.927 -14.609 1.00 0.00 C ATOM 207 CD2 LEU A 31 -6.264 -16.268 -16.984 1.00 0.00 C ATOM 0 H LEU A 31 -4.157 -12.542 -15.810 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.308 -13.550 -17.477 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.357 -13.509 -15.299 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.731 -14.145 -16.888 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.298 -15.155 -15.453 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.645 -16.887 -14.345 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.035 -15.255 -13.753 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.131 -16.074 -14.890 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.837 -17.221 -16.672 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.271 -16.430 -17.370 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.642 -15.830 -17.765 1.00 0.00 H new ATOM 208 N CYS A 32 -6.271 -10.653 -17.410 1.00 0.00 N ATOM 209 CA CYS A 32 -6.882 -9.535 -18.108 1.00 0.00 C ATOM 210 C CYS A 32 -5.866 -8.393 -18.170 1.00 0.00 C ATOM 211 O CYS A 32 -6.243 -7.226 -18.263 1.00 0.00 O ATOM 212 CB CYS A 32 -8.190 -9.100 -17.443 1.00 0.00 C ATOM 213 SG CYS A 32 -9.480 -10.395 -17.365 1.00 0.00 S ATOM 0 H CYS A 32 -5.564 -10.392 -16.723 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.148 -9.837 -19.121 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.971 -8.763 -16.430 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.589 -8.242 -17.985 1.00 0.00 H new ATOM 214 N CYS A 33 -4.597 -8.770 -18.117 1.00 0.00 N ATOM 215 CA CYS A 33 -3.527 -7.789 -18.057 1.00 0.00 C ATOM 216 C CYS A 33 -2.410 -8.237 -19.001 1.00 0.00 C ATOM 217 O CYS A 33 -2.011 -9.401 -18.988 1.00 0.00 O ATOM 218 CB CYS A 33 -3.020 -7.592 -16.627 1.00 0.00 C ATOM 219 SG CYS A 33 -1.389 -6.770 -16.496 1.00 0.00 S ATOM 0 H CYS A 33 -4.286 -9.741 -18.114 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.903 -6.817 -18.377 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.753 -7.004 -16.075 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.960 -8.566 -16.140 1.00 0.00 H new ATOM 220 N ASP A 34 -1.937 -7.291 -19.799 1.00 0.00 N ATOM 221 CA ASP A 34 -0.815 -7.549 -20.685 1.00 0.00 C ATOM 222 C ASP A 34 0.445 -7.784 -19.848 1.00 0.00 C ATOM 223 O ASP A 34 0.398 -7.729 -18.621 1.00 0.00 O ATOM 224 CB ASP A 34 -0.555 -6.358 -21.607 1.00 0.00 C ATOM 225 CG ASP A 34 0.105 -6.706 -22.943 1.00 0.00 C ATOM 226 OD1 ASP A 34 -0.560 -7.165 -23.883 1.00 0.00 O ATOM 227 OD2 ASP A 34 1.375 -6.484 -22.998 1.00 0.00 O ATOM 0 H ASP A 34 -2.311 -6.343 -19.850 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.056 -8.424 -21.288 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.503 -5.859 -21.807 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.078 -5.643 -21.082 1.00 0.00 H new ATOM 228 N GLN A 35 1.540 -8.042 -20.548 1.00 0.00 N ATOM 229 CA GLN A 35 2.797 -8.348 -19.884 1.00 0.00 C ATOM 230 C GLN A 35 3.471 -7.060 -19.406 1.00 0.00 C ATOM 231 O GLN A 35 4.665 -7.050 -19.116 1.00 0.00 O ATOM 232 CB GLN A 35 3.725 -9.142 -20.805 1.00 0.00 C ATOM 233 CG GLN A 35 4.032 -8.356 -22.083 1.00 0.00 C ATOM 234 CD GLN A 35 3.407 -9.032 -23.305 1.00 0.00 C ATOM 235 OE1 GLN A 35 2.253 -8.824 -23.638 1.00 0.00 O ATOM 236 NE2 GLN A 35 4.232 -9.851 -23.952 1.00 0.00 N ATOM 0 H GLN A 35 1.583 -8.046 -21.567 1.00 0.00 H new ATOM 0 HA GLN A 35 2.584 -8.969 -19.014 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.654 -9.371 -20.282 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.261 -10.094 -21.062 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.650 -7.339 -21.990 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.111 -8.280 -22.217 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.188 -9.980 -23.619 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.909 -10.350 -24.781 1.00 0.00 H new ATOM 237 N CYS A 36 2.673 -6.004 -19.336 1.00 0.00 N ATOM 238 CA CYS A 36 3.075 -4.809 -18.613 1.00 0.00 C ATOM 239 C CYS A 36 2.046 -3.711 -18.889 1.00 0.00 C ATOM 240 O CYS A 36 2.406 -2.549 -19.067 1.00 0.00 O ATOM 241 CB CYS A 36 4.492 -4.370 -18.988 1.00 0.00 C ATOM 242 SG CYS A 36 5.781 -4.815 -17.767 1.00 0.00 S ATOM 0 H CYS A 36 1.750 -5.951 -19.768 1.00 0.00 H new ATOM 0 HA CYS A 36 3.102 -5.020 -17.544 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.753 -4.814 -19.949 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.498 -3.289 -19.124 1.00 0.00 H new ATOM 243 N ARG A 37 0.785 -4.119 -18.915 1.00 0.00 N ATOM 244 CA ARG A 37 -0.295 -3.192 -19.207 1.00 0.00 C ATOM 245 C ARG A 37 -1.646 -3.900 -19.093 1.00 0.00 C ATOM 246 O ARG A 37 -1.711 -5.062 -18.697 1.00 0.00 O ATOM 247 CB ARG A 37 -0.151 -2.603 -20.612 1.00 0.00 C ATOM 248 CG ARG A 37 0.233 -1.123 -20.549 1.00 0.00 C ATOM 249 CD ARG A 37 -1.002 -0.245 -20.338 1.00 0.00 C ATOM 250 NE ARG A 37 -1.956 -0.434 -21.454 1.00 0.00 N ATOM 251 CZ ARG A 37 -3.250 -0.094 -21.401 1.00 0.00 C ATOM 252 NH1 ARG A 37 -3.689 0.725 -20.437 1.00 0.00 N ATOM 253 NH2 ARG A 37 -4.107 -0.572 -22.314 1.00 0.00 N ATOM 0 H ARG A 37 0.488 -5.079 -18.739 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.243 -2.382 -18.480 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.607 -3.156 -21.166 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.089 -2.716 -21.156 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.941 -0.962 -19.737 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.736 -0.834 -21.472 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.481 -0.499 -19.392 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.707 0.802 -20.275 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.606 -0.849 -22.317 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.038 1.090 -19.742 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.675 0.984 -20.397 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.774 -1.195 -23.050 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.093 -0.313 -22.273 1.00 0.00 H new ATOM 254 N PHE A 38 -2.693 -3.169 -19.449 1.00 0.00 N ATOM 255 CA PHE A 38 -4.035 -3.726 -19.432 1.00 0.00 C ATOM 256 C PHE A 38 -4.392 -4.338 -20.788 1.00 0.00 C ATOM 257 O PHE A 38 -3.903 -3.889 -21.824 1.00 0.00 O ATOM 258 CB PHE A 38 -4.995 -2.571 -19.140 1.00 0.00 C ATOM 259 CG PHE A 38 -5.313 -2.388 -17.654 1.00 0.00 C ATOM 260 CD1 PHE A 38 -5.750 -3.444 -16.917 1.00 0.00 C ATOM 261 CD2 PHE A 38 -5.159 -1.169 -17.071 1.00 0.00 C ATOM 262 CE1 PHE A 38 -6.046 -3.274 -15.539 1.00 0.00 C ATOM 263 CE2 PHE A 38 -5.455 -0.999 -15.692 1.00 0.00 C ATOM 264 CZ PHE A 38 -5.893 -2.056 -14.956 1.00 0.00 C ATOM 0 H PHE A 38 -2.639 -2.196 -19.751 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.102 -4.512 -18.679 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.564 -1.647 -19.525 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.925 -2.739 -19.682 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.872 -4.412 -17.380 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.812 -0.330 -17.656 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.393 -4.113 -14.954 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.332 -0.031 -15.228 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.119 -1.927 -13.908 1.00 0.00 H new ATOM 265 N LYS A 39 -5.241 -5.354 -20.737 1.00 0.00 N ATOM 266 CA LYS A 39 -5.684 -6.019 -21.951 1.00 0.00 C ATOM 267 C LYS A 39 -6.810 -5.206 -22.593 1.00 0.00 C ATOM 268 O LYS A 39 -7.153 -4.127 -22.110 1.00 0.00 O ATOM 269 CB LYS A 39 -6.066 -7.472 -21.656 1.00 0.00 C ATOM 270 CG LYS A 39 -4.848 -8.277 -21.202 1.00 0.00 C ATOM 271 CD LYS A 39 -4.257 -9.081 -22.362 1.00 0.00 C ATOM 272 CE LYS A 39 -3.478 -8.173 -23.317 1.00 0.00 C ATOM 273 NZ LYS A 39 -2.523 -8.967 -24.122 1.00 0.00 N ATOM 0 H LYS A 39 -5.634 -5.733 -19.875 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.872 -6.067 -22.677 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.834 -7.500 -20.883 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.495 -7.927 -22.548 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.092 -7.603 -20.800 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.134 -8.952 -20.396 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.598 -9.857 -21.973 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.057 -9.585 -22.905 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.170 -7.649 -23.976 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.941 -7.413 -22.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.714 -8.370 -24.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.186 -9.776 -23.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.997 -9.313 -24.981 1.00 0.00 H new ATOM 274 N LYS A 40 -7.353 -5.753 -23.670 1.00 0.00 N ATOM 275 CA LYS A 40 -8.544 -5.186 -24.278 1.00 0.00 C ATOM 276 C LYS A 40 -9.716 -6.152 -24.095 1.00 0.00 C ATOM 277 O LYS A 40 -9.526 -7.288 -23.660 1.00 0.00 O ATOM 278 CB LYS A 40 -8.275 -4.816 -25.738 1.00 0.00 C ATOM 279 CG LYS A 40 -7.224 -3.707 -25.839 1.00 0.00 C ATOM 280 CD LYS A 40 -7.839 -2.341 -25.529 1.00 0.00 C ATOM 281 CE LYS A 40 -6.815 -1.222 -25.732 1.00 0.00 C ATOM 282 NZ LYS A 40 -7.426 0.097 -25.447 1.00 0.00 N ATOM 0 H LYS A 40 -6.990 -6.584 -24.138 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.818 -4.255 -23.782 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.933 -5.696 -26.283 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.201 -4.488 -26.210 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.409 -3.909 -25.144 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.794 -3.698 -26.841 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.701 -2.171 -26.174 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.201 -2.326 -24.501 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.958 -1.382 -25.077 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.442 -1.243 -26.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.718 0.846 -25.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.229 0.253 -26.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.760 0.119 -24.462 1.00 0.00 H new ATOM 283 N LYS A 41 -10.900 -5.667 -24.437 1.00 0.00 N ATOM 284 CA LYS A 41 -12.098 -6.486 -24.348 1.00 0.00 C ATOM 285 C LYS A 41 -11.957 -7.692 -25.280 1.00 0.00 C ATOM 286 O LYS A 41 -11.050 -7.737 -26.110 1.00 0.00 O ATOM 287 CB LYS A 41 -13.345 -5.642 -24.620 1.00 0.00 C ATOM 288 CG LYS A 41 -14.597 -6.317 -24.057 1.00 0.00 C ATOM 289 CD LYS A 41 -15.641 -5.279 -23.644 1.00 0.00 C ATOM 290 CE LYS A 41 -16.235 -4.579 -24.867 1.00 0.00 C ATOM 291 NZ LYS A 41 -17.336 -3.676 -24.466 1.00 0.00 N ATOM 0 H LYS A 41 -11.056 -4.718 -24.776 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.219 -6.876 -23.337 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.226 -4.656 -24.171 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.460 -5.492 -25.693 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.021 -6.987 -24.805 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.328 -6.930 -23.197 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.436 -5.764 -23.077 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.184 -4.541 -22.985 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.459 -4.010 -25.380 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.605 -5.322 -25.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.727 -3.210 -25.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.083 -4.227 -23.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.973 -2.956 -23.809 1.00 0.00 H new ATOM 292 N ARG A 42 -12.867 -8.640 -25.109 1.00 0.00 N ATOM 293 CA ARG A 42 -12.905 -9.804 -25.978 1.00 0.00 C ATOM 294 C ARG A 42 -11.725 -10.730 -25.677 1.00 0.00 C ATOM 295 O ARG A 42 -11.320 -11.522 -26.526 1.00 0.00 O ATOM 296 CB ARG A 42 -12.859 -9.394 -27.451 1.00 0.00 C ATOM 297 CG ARG A 42 -13.932 -8.349 -27.764 1.00 0.00 C ATOM 298 CD ARG A 42 -13.814 -7.856 -29.207 1.00 0.00 C ATOM 299 NE ARG A 42 -14.913 -6.913 -29.511 1.00 0.00 N ATOM 300 CZ ARG A 42 -16.094 -7.277 -30.027 1.00 0.00 C ATOM 301 NH1 ARG A 42 -16.435 -8.572 -30.073 1.00 0.00 N ATOM 302 NH2 ARG A 42 -16.936 -6.347 -30.499 1.00 0.00 N ATOM 0 H ARG A 42 -13.583 -8.626 -24.382 1.00 0.00 H new ATOM 0 HA ARG A 42 -13.841 -10.329 -25.788 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.874 -8.992 -27.689 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.006 -10.271 -28.081 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.921 -8.778 -27.603 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.835 -7.507 -27.079 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.852 -7.366 -29.355 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.850 -8.702 -29.893 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.762 -5.923 -29.315 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.795 -9.281 -29.715 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.335 -8.849 -30.466 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.677 -5.361 -30.465 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.835 -6.625 -30.892 1.00 0.00 H new ATOM 303 N THR A 43 -11.207 -10.601 -24.464 1.00 0.00 N ATOM 304 CA THR A 43 -10.140 -11.475 -24.009 1.00 0.00 C ATOM 305 C THR A 43 -10.692 -12.544 -23.064 1.00 0.00 C ATOM 306 O THR A 43 -11.495 -12.244 -22.182 1.00 0.00 O ATOM 307 CB THR A 43 -9.054 -10.605 -23.372 1.00 0.00 C ATOM 308 OG1 THR A 43 -7.880 -10.916 -24.118 1.00 0.00 O ATOM 309 CG2 THR A 43 -8.716 -11.041 -21.946 1.00 0.00 C ATOM 0 H THR A 43 -11.507 -9.904 -23.782 1.00 0.00 H new ATOM 0 HA THR A 43 -9.694 -12.020 -24.841 1.00 0.00 H new ATOM 0 HB THR A 43 -9.379 -9.565 -23.365 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.125 -10.394 -23.773 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.940 -10.391 -21.541 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.608 -10.973 -21.324 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.358 -12.071 -21.955 1.00 0.00 H new ATOM 310 N ILE A 44 -10.241 -13.772 -23.282 1.00 0.00 N ATOM 311 CA ILE A 44 -10.749 -14.901 -22.522 1.00 0.00 C ATOM 312 C ILE A 44 -10.033 -14.964 -21.171 1.00 0.00 C ATOM 313 O ILE A 44 -8.829 -15.207 -21.114 1.00 0.00 O ATOM 314 CB ILE A 44 -10.636 -16.190 -23.338 1.00 0.00 C ATOM 315 CG1 ILE A 44 -11.419 -16.080 -24.648 1.00 0.00 C ATOM 316 CG2 ILE A 44 -11.069 -17.403 -22.511 1.00 0.00 C ATOM 317 CD1 ILE A 44 -12.907 -16.355 -24.422 1.00 0.00 C ATOM 0 H ILE A 44 -9.530 -14.009 -23.974 1.00 0.00 H new ATOM 0 HA ILE A 44 -11.812 -14.774 -22.315 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.588 -16.337 -23.600 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.290 -15.084 -25.071 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -11.021 -16.788 -25.374 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -10.979 -18.306 -23.115 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.431 -17.490 -21.631 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -12.105 -17.278 -22.197 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.441 -16.270 -25.369 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.034 -17.361 -24.022 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.308 -15.630 -23.714 1.00 0.00 H new ATOM 318 N CYS A 45 -10.805 -14.741 -20.118 1.00 0.00 N ATOM 319 CA CYS A 45 -10.253 -14.742 -18.773 1.00 0.00 C ATOM 320 C CYS A 45 -10.604 -16.076 -18.111 1.00 0.00 C ATOM 321 O CYS A 45 -9.879 -16.549 -17.238 1.00 0.00 O ATOM 322 CB CYS A 45 -10.755 -13.550 -17.955 1.00 0.00 C ATOM 323 SG CYS A 45 -12.087 -13.943 -16.763 1.00 0.00 S ATOM 0 H CYS A 45 -11.807 -14.559 -20.168 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.169 -14.635 -18.822 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -9.914 -13.121 -17.410 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.115 -12.783 -18.640 1.00 0.00 H new ATOM 324 N ARG A 46 -11.716 -16.645 -18.553 1.00 0.00 N ATOM 325 CA ARG A 46 -12.217 -17.871 -17.956 1.00 0.00 C ATOM 326 C ARG A 46 -12.861 -18.756 -19.024 1.00 0.00 C ATOM 327 O ARG A 46 -13.586 -18.266 -19.889 1.00 0.00 O ATOM 328 CB ARG A 46 -13.247 -17.572 -16.864 1.00 0.00 C ATOM 329 CG ARG A 46 -12.783 -18.113 -15.511 1.00 0.00 C ATOM 330 CD ARG A 46 -12.643 -19.637 -15.547 1.00 0.00 C ATOM 331 NE ARG A 46 -13.252 -20.229 -14.336 1.00 0.00 N ATOM 332 CZ ARG A 46 -14.478 -20.767 -14.297 1.00 0.00 C ATOM 333 NH1 ARG A 46 -15.363 -20.489 -15.263 1.00 0.00 N ATOM 334 NH2 ARG A 46 -14.820 -21.586 -13.292 1.00 0.00 N ATOM 0 H ARG A 46 -12.284 -16.280 -19.317 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.370 -18.392 -17.509 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.407 -16.496 -16.794 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.205 -18.020 -17.130 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.827 -17.663 -15.244 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.496 -17.828 -14.738 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.127 -20.034 -16.439 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.590 -19.913 -15.607 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.704 -20.227 -13.476 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.104 -19.867 -16.029 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.296 -20.899 -15.233 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.146 -21.800 -12.557 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.754 -21.995 -13.263 1.00 0.00 H new ATOM 335 N ILE A 47 -12.573 -20.046 -18.931 1.00 0.00 N ATOM 336 CA ILE A 47 -13.207 -21.020 -19.804 1.00 0.00 C ATOM 337 C ILE A 47 -14.516 -21.493 -19.169 1.00 0.00 C ATOM 338 O ILE A 47 -14.700 -21.378 -17.958 1.00 0.00 O ATOM 339 CB ILE A 47 -12.236 -22.157 -20.133 1.00 0.00 C ATOM 340 CG1 ILE A 47 -10.829 -21.617 -20.397 1.00 0.00 C ATOM 341 CG2 ILE A 47 -12.755 -23.002 -21.297 1.00 0.00 C ATOM 342 CD1 ILE A 47 -10.833 -20.623 -21.559 1.00 0.00 C ATOM 0 H ILE A 47 -11.909 -20.440 -18.264 1.00 0.00 H new ATOM 0 HA ILE A 47 -13.463 -20.564 -20.760 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.171 -22.813 -19.265 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.448 -21.131 -19.499 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.155 -22.443 -20.623 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.046 -23.802 -21.510 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.720 -23.433 -21.032 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.869 -22.374 -22.180 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.821 -20.254 -21.726 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.192 -21.119 -22.461 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.489 -19.786 -21.320 1.00 0.00 H new ATOM 343 N ALA A 48 -15.391 -22.016 -20.014 1.00 0.00 N ATOM 344 CA ALA A 48 -16.672 -22.521 -19.548 1.00 0.00 C ATOM 345 C ALA A 48 -16.466 -23.887 -18.890 1.00 0.00 C ATOM 346 O ALA A 48 -15.560 -24.630 -19.262 1.00 0.00 O ATOM 347 CB ALA A 48 -17.654 -22.580 -20.720 1.00 0.00 C ATOM 0 H ALA A 48 -15.239 -22.101 -21.019 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.099 -21.855 -18.799 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -18.615 -22.959 -20.371 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -17.787 -21.581 -21.134 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.261 -23.243 -21.491 1.00 0.00 H new ATOM 348 N ARG A 49 -17.325 -24.177 -17.924 1.00 0.00 N ATOM 349 CA ARG A 49 -17.240 -25.434 -17.200 1.00 0.00 C ATOM 350 C ARG A 49 -18.411 -26.344 -17.577 1.00 0.00 C ATOM 351 O ARG A 49 -18.697 -27.315 -16.878 1.00 0.00 O ATOM 352 CB ARG A 49 -17.252 -25.200 -15.687 1.00 0.00 C ATOM 353 CG ARG A 49 -18.548 -24.513 -15.249 1.00 0.00 C ATOM 354 CD ARG A 49 -18.711 -24.570 -13.729 1.00 0.00 C ATOM 355 NE ARG A 49 -20.040 -24.045 -13.343 1.00 0.00 N ATOM 356 CZ ARG A 49 -21.176 -24.754 -13.406 1.00 0.00 C ATOM 357 NH1 ARG A 49 -21.158 -26.006 -13.884 1.00 0.00 N ATOM 358 NH2 ARG A 49 -22.328 -24.211 -12.990 1.00 0.00 N ATOM 0 H ARG A 49 -18.083 -23.563 -17.626 1.00 0.00 H new ATOM 0 HA ARG A 49 -16.300 -25.912 -17.475 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -17.147 -26.152 -15.167 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -16.397 -24.586 -15.403 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -18.543 -23.474 -15.579 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -19.400 -24.996 -15.728 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -18.602 -25.597 -13.381 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -17.926 -23.986 -13.249 1.00 0.00 H new ATOM 0 HE ARG A 49 -20.095 -23.083 -13.008 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -20.280 -26.419 -14.200 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -22.022 -26.546 -13.932 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -22.341 -23.258 -12.626 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -23.193 -24.750 -13.038 1.00 0.00 H new ATOM 359 N GLY A 50 -19.054 -25.999 -18.682 1.00 0.00 N ATOM 360 CA GLY A 50 -20.179 -26.780 -19.168 1.00 0.00 C ATOM 361 C GLY A 50 -20.469 -26.468 -20.638 1.00 0.00 C ATOM 362 O GLY A 50 -19.547 -26.287 -21.432 1.00 0.00 O ATOM 0 H GLY A 50 -18.818 -25.189 -19.255 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -19.965 -27.843 -19.053 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -21.062 -26.566 -18.566 1.00 0.00 H new ATOM 363 N ASP A 51 -21.754 -26.415 -20.955 1.00 0.00 N ATOM 364 CA ASP A 51 -22.178 -26.123 -22.314 1.00 0.00 C ATOM 365 C ASP A 51 -22.491 -24.630 -22.438 1.00 0.00 C ATOM 366 O ASP A 51 -23.471 -24.249 -23.075 1.00 0.00 O ATOM 367 CB ASP A 51 -23.443 -26.903 -22.676 1.00 0.00 C ATOM 368 CG ASP A 51 -23.828 -26.861 -24.156 1.00 0.00 C ATOM 369 OD1 ASP A 51 -22.983 -27.063 -25.041 1.00 0.00 O ATOM 370 OD2 ASP A 51 -25.070 -26.604 -24.390 1.00 0.00 O ATOM 0 H ASP A 51 -22.516 -26.569 -20.294 1.00 0.00 H new ATOM 0 HA ASP A 51 -21.371 -26.412 -22.988 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -23.307 -27.943 -22.381 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -24.274 -26.511 -22.089 1.00 0.00 H new ATOM 371 N PHE A 52 -21.640 -23.827 -21.816 1.00 0.00 N ATOM 372 CA PHE A 52 -21.810 -22.384 -21.853 1.00 0.00 C ATOM 373 C PHE A 52 -20.672 -21.717 -22.627 1.00 0.00 C ATOM 374 O PHE A 52 -19.619 -22.319 -22.830 1.00 0.00 O ATOM 375 CB PHE A 52 -21.782 -21.894 -20.404 1.00 0.00 C ATOM 376 CG PHE A 52 -22.390 -22.877 -19.402 1.00 0.00 C ATOM 377 CD1 PHE A 52 -23.700 -23.229 -19.503 1.00 0.00 C ATOM 378 CD2 PHE A 52 -21.620 -23.399 -18.409 1.00 0.00 C ATOM 379 CE1 PHE A 52 -24.264 -24.142 -18.573 1.00 0.00 C ATOM 380 CE2 PHE A 52 -22.185 -24.312 -17.479 1.00 0.00 C ATOM 381 CZ PHE A 52 -23.495 -24.664 -17.580 1.00 0.00 C ATOM 0 H PHE A 52 -20.831 -24.148 -21.284 1.00 0.00 H new ATOM 0 HA PHE A 52 -22.747 -22.132 -22.350 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -20.749 -21.693 -20.119 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -22.320 -20.948 -20.341 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -24.311 -22.814 -20.291 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -20.580 -23.119 -18.328 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -25.304 -24.422 -18.654 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -21.574 -24.727 -16.691 1.00 0.00 H new ATOM 0 HZ PHE A 52 -23.924 -25.358 -16.872 1.00 0.00 H new ATOM 382 N PRO A 53 -20.931 -20.451 -23.050 1.00 0.00 N ATOM 383 CA PRO A 53 -19.898 -19.650 -23.687 1.00 0.00 C ATOM 384 C PRO A 53 -18.889 -19.138 -22.659 1.00 0.00 C ATOM 385 O PRO A 53 -19.264 -18.764 -21.548 1.00 0.00 O ATOM 386 CB PRO A 53 -20.649 -18.530 -24.392 1.00 0.00 C ATOM 387 CG PRO A 53 -22.023 -18.477 -23.743 1.00 0.00 C ATOM 388 CD PRO A 53 -22.206 -19.750 -22.933 1.00 0.00 C ATOM 0 HA PRO A 53 -19.301 -20.221 -24.398 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -20.127 -17.579 -24.281 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -20.729 -18.726 -25.461 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -22.108 -17.600 -23.101 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -22.801 -18.393 -24.502 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -22.441 -19.527 -21.892 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -23.026 -20.353 -23.323 1.00 0.00 H new ATOM 389 N ASP A 54 -17.627 -19.135 -23.065 1.00 0.00 N ATOM 390 CA ASP A 54 -16.559 -18.689 -22.188 1.00 0.00 C ATOM 391 C ASP A 54 -16.755 -17.206 -21.868 1.00 0.00 C ATOM 392 O ASP A 54 -17.426 -16.491 -22.610 1.00 0.00 O ATOM 393 CB ASP A 54 -15.193 -18.852 -22.856 1.00 0.00 C ATOM 394 CG ASP A 54 -14.840 -20.284 -23.266 1.00 0.00 C ATOM 395 OD1 ASP A 54 -15.409 -21.255 -22.747 1.00 0.00 O ATOM 396 OD2 ASP A 54 -13.928 -20.381 -24.173 1.00 0.00 O ATOM 0 H ASP A 54 -17.321 -19.435 -23.991 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.591 -19.294 -21.282 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.161 -18.218 -23.742 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.426 -18.486 -22.174 1.00 0.00 H new ATOM 397 N ASP A 55 -16.156 -16.789 -20.761 1.00 0.00 N ATOM 398 CA ASP A 55 -16.318 -15.422 -20.293 1.00 0.00 C ATOM 399 C ASP A 55 -15.212 -14.549 -20.890 1.00 0.00 C ATOM 400 O ASP A 55 -14.052 -14.955 -20.933 1.00 0.00 O ATOM 401 CB ASP A 55 -16.211 -15.345 -18.769 1.00 0.00 C ATOM 402 CG ASP A 55 -16.099 -13.930 -18.198 1.00 0.00 C ATOM 403 OD1 ASP A 55 -14.906 -13.438 -18.191 1.00 0.00 O ATOM 404 OD2 ASP A 55 -17.100 -13.329 -17.783 1.00 0.00 O ATOM 0 H ASP A 55 -15.559 -17.373 -20.176 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.303 -15.074 -20.603 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.086 -15.828 -18.334 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.340 -15.918 -18.452 1.00 0.00 H new ATOM 405 N ARG A 56 -15.611 -13.366 -21.334 1.00 0.00 N ATOM 406 CA ARG A 56 -14.653 -12.387 -21.819 1.00 0.00 C ATOM 407 C ARG A 56 -14.543 -11.220 -20.837 1.00 0.00 C ATOM 408 O ARG A 56 -15.500 -10.905 -20.131 1.00 0.00 O ATOM 409 CB ARG A 56 -15.062 -11.851 -23.193 1.00 0.00 C ATOM 410 CG ARG A 56 -14.627 -12.808 -24.305 1.00 0.00 C ATOM 411 CD ARG A 56 -15.762 -13.037 -25.306 1.00 0.00 C ATOM 412 NE ARG A 56 -16.823 -13.862 -24.687 1.00 0.00 N ATOM 413 CZ ARG A 56 -17.873 -14.360 -25.354 1.00 0.00 C ATOM 414 NH1 ARG A 56 -18.068 -14.031 -26.638 1.00 0.00 N ATOM 415 NH2 ARG A 56 -18.728 -15.186 -24.737 1.00 0.00 N ATOM 0 H ARG A 56 -16.585 -13.063 -21.368 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.687 -12.884 -21.907 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -16.143 -11.715 -23.227 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.612 -10.871 -23.354 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.758 -12.400 -24.822 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.322 -13.760 -23.871 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.174 -12.080 -25.626 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -15.378 -13.533 -26.197 1.00 0.00 H new ATOM 0 HE ARG A 56 -16.751 -14.064 -23.690 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -17.417 -13.402 -27.108 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -18.867 -14.410 -27.146 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -18.580 -15.436 -23.759 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -19.527 -15.565 -25.245 1.00 0.00 H new ATOM 416 N CYS A 57 -13.367 -10.609 -20.821 1.00 0.00 N ATOM 417 CA CYS A 57 -13.053 -9.615 -19.810 1.00 0.00 C ATOM 418 C CYS A 57 -13.488 -8.244 -20.331 1.00 0.00 C ATOM 419 O CYS A 57 -14.184 -8.153 -21.342 1.00 0.00 O ATOM 420 CB CYS A 57 -11.570 -9.638 -19.435 1.00 0.00 C ATOM 421 SG CYS A 57 -11.228 -9.498 -17.642 1.00 0.00 S ATOM 0 H CYS A 57 -12.620 -10.784 -21.493 1.00 0.00 H new ATOM 0 HA CYS A 57 -13.596 -9.843 -18.893 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -11.131 -10.566 -19.803 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.067 -8.821 -19.951 1.00 0.00 H new ATOM 422 N THR A 58 -13.062 -7.212 -19.618 1.00 0.00 N ATOM 423 CA THR A 58 -13.329 -5.848 -20.042 1.00 0.00 C ATOM 424 C THR A 58 -12.103 -5.257 -20.739 1.00 0.00 C ATOM 425 O THR A 58 -12.236 -4.519 -21.715 1.00 0.00 O ATOM 426 CB THR A 58 -13.775 -5.050 -18.815 1.00 0.00 C ATOM 427 OG1 THR A 58 -12.662 -5.129 -17.927 1.00 0.00 O ATOM 428 CG2 THR A 58 -14.909 -5.736 -18.050 1.00 0.00 C ATOM 0 H THR A 58 -12.534 -7.293 -18.749 1.00 0.00 H new ATOM 0 HA THR A 58 -14.131 -5.813 -20.779 1.00 0.00 H new ATOM 0 HB THR A 58 -14.096 -4.056 -19.126 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.847 -5.792 -17.229 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.187 -5.128 -17.189 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.772 -5.853 -18.706 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.577 -6.717 -17.709 1.00 0.00 H new ATOM 429 N GLY A 59 -10.938 -5.601 -20.211 1.00 0.00 N ATOM 430 CA GLY A 59 -9.688 -5.153 -20.800 1.00 0.00 C ATOM 431 C GLY A 59 -8.929 -4.232 -19.842 1.00 0.00 C ATOM 432 O GLY A 59 -7.762 -4.472 -19.538 1.00 0.00 O ATOM 0 H GLY A 59 -10.833 -6.185 -19.381 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.069 -6.015 -21.048 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.890 -4.627 -21.733 1.00 0.00 H new ATOM 433 N LEU A 60 -9.624 -3.197 -19.393 1.00 0.00 N ATOM 434 CA LEU A 60 -8.998 -2.176 -18.570 1.00 0.00 C ATOM 435 C LEU A 60 -8.915 -2.671 -17.125 1.00 0.00 C ATOM 436 O LEU A 60 -8.448 -1.950 -16.244 1.00 0.00 O ATOM 437 CB LEU A 60 -9.733 -0.842 -18.722 1.00 0.00 C ATOM 438 CG LEU A 60 -10.997 -0.672 -17.876 1.00 0.00 C ATOM 439 CD1 LEU A 60 -11.911 -1.893 -18.007 1.00 0.00 C ATOM 440 CD2 LEU A 60 -10.645 -0.372 -16.418 1.00 0.00 C ATOM 0 H LEU A 60 -10.614 -3.044 -19.584 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.977 -1.992 -18.903 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.041 -0.038 -18.471 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.002 -0.715 -19.771 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.550 0.187 -18.256 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.802 -1.748 -17.396 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.202 -2.019 -19.050 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.380 -2.783 -17.668 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.561 -0.256 -15.839 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.059 -1.195 -16.009 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.064 0.549 -16.366 1.00 0.00 H new ATOM 441 N SER A 61 -9.375 -3.897 -16.926 1.00 0.00 N ATOM 442 CA SER A 61 -9.383 -4.487 -15.598 1.00 0.00 C ATOM 443 C SER A 61 -8.391 -5.650 -15.536 1.00 0.00 C ATOM 444 O SER A 61 -8.080 -6.260 -16.557 1.00 0.00 O ATOM 445 CB SER A 61 -10.785 -4.964 -15.216 1.00 0.00 C ATOM 446 OG SER A 61 -11.798 -4.086 -15.699 1.00 0.00 O ATOM 0 H SER A 61 -9.745 -4.498 -17.662 1.00 0.00 H new ATOM 0 HA SER A 61 -9.081 -3.722 -14.882 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.950 -5.964 -15.618 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.859 -5.041 -14.131 1.00 0.00 H new ATOM 0 HG SER A 61 -12.022 -4.322 -16.623 1.00 0.00 H new ATOM 447 N ASN A 62 -7.922 -5.922 -14.327 1.00 0.00 N ATOM 448 CA ASN A 62 -7.014 -7.035 -14.109 1.00 0.00 C ATOM 449 C ASN A 62 -7.770 -8.182 -13.437 1.00 0.00 C ATOM 450 O ASN A 62 -7.210 -9.255 -13.217 1.00 0.00 O ATOM 451 CB ASN A 62 -5.857 -6.630 -13.192 1.00 0.00 C ATOM 452 CG ASN A 62 -4.581 -6.377 -13.998 1.00 0.00 C ATOM 453 OD1 ASN A 62 -3.664 -7.332 -13.874 1.00 0.00 O flip ATOM 454 ND2 ASN A 62 -4.439 -5.379 -14.687 1.00 0.00 N flip ATOM 0 H ASN A 62 -8.154 -5.390 -13.488 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.618 -7.341 -15.077 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.125 -5.731 -12.638 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.678 -7.416 -12.458 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.184 -4.684 -14.738 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.575 -5.240 -15.212 1.00 0.00 H new ATOM 455 N ASP A 63 -9.032 -7.917 -13.131 1.00 0.00 N ATOM 456 CA ASP A 63 -9.875 -8.919 -12.498 1.00 0.00 C ATOM 457 C ASP A 63 -10.469 -9.830 -13.572 1.00 0.00 C ATOM 458 O ASP A 63 -10.459 -9.493 -14.755 1.00 0.00 O ATOM 459 CB ASP A 63 -11.031 -8.265 -11.740 1.00 0.00 C ATOM 460 CG ASP A 63 -10.752 -6.848 -11.230 1.00 0.00 C ATOM 461 OD1 ASP A 63 -9.929 -6.778 -10.240 1.00 0.00 O ATOM 462 OD2 ASP A 63 -11.295 -5.863 -11.754 1.00 0.00 O ATOM 0 H ASP A 63 -9.491 -7.024 -13.309 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.260 -9.486 -11.799 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.903 -8.235 -12.393 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.291 -8.896 -10.890 1.00 0.00 H new ATOM 463 N CYS A 64 -10.974 -10.970 -13.122 1.00 0.00 N ATOM 464 CA CYS A 64 -11.482 -11.977 -14.038 1.00 0.00 C ATOM 465 C CYS A 64 -12.769 -12.558 -13.448 1.00 0.00 C ATOM 466 O CYS A 64 -12.725 -13.510 -12.670 1.00 0.00 O ATOM 467 CB CYS A 64 -10.442 -13.064 -14.317 1.00 0.00 C ATOM 468 SG CYS A 64 -11.103 -14.574 -15.112 1.00 0.00 S ATOM 0 H CYS A 64 -11.042 -11.218 -12.135 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.700 -11.518 -15.002 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -9.663 -12.646 -14.955 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.968 -13.344 -13.376 1.00 0.00 H new ATOM 469 N PRO A 65 -13.914 -11.945 -13.852 1.00 0.00 N ATOM 470 CA PRO A 65 -15.215 -12.453 -13.451 1.00 0.00 C ATOM 471 C PRO A 65 -15.576 -13.716 -14.234 1.00 0.00 C ATOM 472 O PRO A 65 -15.425 -13.759 -15.454 1.00 0.00 O ATOM 473 CB PRO A 65 -16.179 -11.303 -13.702 1.00 0.00 C ATOM 474 CG PRO A 65 -15.467 -10.364 -14.661 1.00 0.00 C ATOM 475 CD PRO A 65 -13.999 -10.758 -14.696 1.00 0.00 C ATOM 0 HA PRO A 65 -15.243 -12.760 -12.405 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.114 -11.664 -14.131 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.430 -10.794 -12.772 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.904 -10.432 -15.657 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.577 -9.330 -14.335 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.670 -10.971 -15.713 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.365 -9.957 -14.317 1.00 0.00 H new ATOM 476 N ARG A 66 -16.043 -14.716 -13.500 1.00 0.00 N ATOM 477 CA ARG A 66 -16.432 -15.975 -14.111 1.00 0.00 C ATOM 478 C ARG A 66 -17.806 -15.844 -14.769 1.00 0.00 C ATOM 479 O ARG A 66 -18.574 -14.942 -14.437 1.00 0.00 O ATOM 480 CB ARG A 66 -16.476 -17.099 -13.074 1.00 0.00 C ATOM 481 CG ARG A 66 -15.284 -17.011 -12.118 1.00 0.00 C ATOM 482 CD ARG A 66 -15.018 -18.359 -11.447 1.00 0.00 C ATOM 483 NE ARG A 66 -14.250 -18.160 -10.198 1.00 0.00 N ATOM 484 CZ ARG A 66 -14.792 -17.759 -9.039 1.00 0.00 C ATOM 485 NH1 ARG A 66 -16.097 -17.462 -8.977 1.00 0.00 N ATOM 486 NH2 ARG A 66 -14.028 -17.656 -7.943 1.00 0.00 N ATOM 0 H ARG A 66 -16.161 -14.679 -12.487 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.686 -16.221 -14.867 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.406 -17.040 -12.508 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.471 -18.065 -13.579 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.397 -16.692 -12.666 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -15.478 -16.254 -11.358 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.962 -18.858 -11.228 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.464 -19.009 -12.125 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.246 -18.339 -10.220 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.678 -17.541 -9.811 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.509 -17.157 -8.095 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.035 -17.883 -7.991 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.440 -17.351 -7.061 1.00 0.00 H new ATOM 487 N TRP A 67 -18.075 -16.757 -15.692 1.00 0.00 N ATOM 488 CA TRP A 67 -19.363 -16.786 -16.363 1.00 0.00 C ATOM 489 C TRP A 67 -20.396 -17.346 -15.382 1.00 0.00 C ATOM 490 O TRP A 67 -20.529 -18.560 -15.241 1.00 0.00 O ATOM 491 CB TRP A 67 -19.285 -17.582 -17.666 1.00 0.00 C ATOM 492 CG TRP A 67 -20.273 -17.120 -18.739 1.00 0.00 C ATOM 493 CD1 TRP A 67 -20.119 -16.134 -19.633 1.00 0.00 C ATOM 494 CD2 TRP A 67 -21.582 -17.670 -18.996 1.00 0.00 C ATOM 495 NE1 TRP A 67 -21.229 -16.008 -20.444 1.00 0.00 N ATOM 496 CE2 TRP A 67 -22.148 -16.973 -20.043 1.00 0.00 C ATOM 497 CE3 TRP A 67 -22.267 -18.722 -18.363 1.00 0.00 C ATOM 498 CZ2 TRP A 67 -23.423 -17.251 -20.550 1.00 0.00 C ATOM 499 CZ3 TRP A 67 -23.540 -18.988 -18.881 1.00 0.00 C ATOM 500 CH2 TRP A 67 -24.123 -18.295 -19.935 1.00 0.00 C ATOM 0 H TRP A 67 -17.422 -17.482 -15.990 1.00 0.00 H new ATOM 0 HA TRP A 67 -19.668 -15.781 -16.654 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -18.273 -17.510 -18.064 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -19.467 -18.634 -17.448 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -19.237 -15.515 -19.710 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -21.353 -15.332 -21.198 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -21.844 -19.281 -17.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -23.844 -16.690 -21.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -24.109 -19.788 -18.430 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -25.112 -18.561 -20.278 1.00 0.00 H new