USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=16 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 33 CYS SG : rot 13:sc= -31.4! USER MOD Set 1.2: A 42 CYS SG : rot -17:sc= -22.2! USER MOD Single : A 1 ASN : amide:sc=-0.00819 X(o=-0.0082,f=-0.0082) USER MOD Single : A 1 ASN N :NH3+ -174:sc= 0 (180deg=-0.0134) USER MOD Single : A 2 SER OG : rot 180:sc= -0.167 USER MOD Single : A 3 TYR OH : rot 143:sc= 1 USER MOD Single : A 8 SER OG : rot -66:sc= 1 USER MOD Single : A 9 SER OG : rot -35:sc= 0.394 USER MOD Single : A 10 TYR OH : rot -162:sc= -0.535! USER MOD Single : A 13 TYR OH : rot -2:sc= 1.17 USER MOD Single : A 16 ASN : amide:sc= -6.59! C(o=-6.6!,f=-14!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -17! C(o=-17!,f=-13!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.337 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 32 ASN : amide:sc= -5.35! C(o=-5.3!,f=-17!) USER MOD Single : A 37 TYR OH : rot 165:sc= -0.404 USER MOD Single : A 38 SER OG : rot -32:sc= 0.355 USER MOD Single : A 43 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -1.202 12.869 4.186 1.00 0.00 N ATOM 2 CA ASN A 1 -2.504 13.133 3.598 1.00 0.00 C ATOM 3 C ASN A 1 -2.927 11.938 2.743 1.00 0.00 C ATOM 4 O ASN A 1 -2.101 11.345 2.048 1.00 0.00 O ATOM 5 CB ASN A 1 -2.460 14.368 2.694 1.00 0.00 C ATOM 6 CG ASN A 1 -2.196 15.636 3.511 1.00 0.00 C ATOM 7 OD1 ASN A 1 -3.093 16.245 4.066 1.00 0.00 O ATOM 8 ND2 ASN A 1 -0.916 15.996 3.549 1.00 0.00 N ATOM 0 H1 ASN A 1 -0.958 13.634 4.847 1.00 0.00 H new ATOM 0 H2 ASN A 1 -1.229 11.964 4.698 1.00 0.00 H new ATOM 0 H3 ASN A 1 -0.485 12.820 3.434 1.00 0.00 H new ATOM 0 HA ASN A 1 -3.211 13.304 4.410 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -1.680 14.246 1.943 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -3.405 14.466 2.159 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -0.636 16.829 4.067 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -0.215 15.439 3.061 1.00 0.00 H new ATOM 9 N SER A 2 -4.208 11.616 2.824 1.00 0.00 N ATOM 10 CA SER A 2 -4.750 10.500 2.067 1.00 0.00 C ATOM 11 C SER A 2 -6.248 10.704 1.834 1.00 0.00 C ATOM 12 O SER A 2 -6.898 11.447 2.565 1.00 0.00 O ATOM 13 CB SER A 2 -4.500 9.173 2.786 1.00 0.00 C ATOM 14 OG SER A 2 -3.124 8.995 3.114 1.00 0.00 O ATOM 0 H SER A 2 -4.888 12.109 3.403 1.00 0.00 H new ATOM 0 HA SER A 2 -4.241 10.461 1.104 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.098 9.136 3.697 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.831 8.350 2.153 1.00 0.00 H new ATOM 0 HG SER A 2 -3.005 8.137 3.573 1.00 0.00 H new ATOM 15 N TYR A 3 -6.753 10.029 0.812 1.00 0.00 N ATOM 16 CA TYR A 3 -8.164 10.126 0.474 1.00 0.00 C ATOM 17 C TYR A 3 -8.705 8.778 -0.007 1.00 0.00 C ATOM 18 O TYR A 3 -8.026 8.054 -0.733 1.00 0.00 O ATOM 19 CB TYR A 3 -8.253 11.136 -0.670 1.00 0.00 C ATOM 20 CG TYR A 3 -7.933 12.573 -0.258 1.00 0.00 C ATOM 21 CD1 TYR A 3 -6.635 12.929 0.050 1.00 0.00 C ATOM 22 CD2 TYR A 3 -8.939 13.515 -0.195 1.00 0.00 C ATOM 23 CE1 TYR A 3 -6.333 14.283 0.440 1.00 0.00 C ATOM 24 CE2 TYR A 3 -8.638 14.867 0.193 1.00 0.00 C ATOM 25 CZ TYR A 3 -7.350 15.186 0.491 1.00 0.00 C ATOM 26 OH TYR A 3 -7.063 16.463 0.857 1.00 0.00 O ATOM 0 H TYR A 3 -6.211 9.413 0.207 1.00 0.00 H new ATOM 0 HA TYR A 3 -8.749 10.426 1.343 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -7.567 10.834 -1.461 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -9.258 11.105 -1.091 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -5.846 12.193 -0.001 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -9.954 13.237 -0.437 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -5.323 14.575 0.686 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -9.418 15.612 0.246 1.00 0.00 H new ATOM 0 HH TYR A 3 -7.609 17.084 0.331 1.00 0.00 H new ATOM 27 N PRO A 4 -9.957 8.473 0.428 1.00 0.00 N ATOM 28 CA PRO A 4 -10.599 7.227 0.048 1.00 0.00 C ATOM 29 C PRO A 4 -11.077 7.274 -1.405 1.00 0.00 C ATOM 30 O PRO A 4 -12.243 7.568 -1.669 1.00 0.00 O ATOM 31 CB PRO A 4 -11.735 7.051 1.041 1.00 0.00 C ATOM 32 CG PRO A 4 -11.978 8.425 1.643 1.00 0.00 C ATOM 33 CD PRO A 4 -10.794 9.307 1.286 1.00 0.00 C ATOM 0 HA PRO A 4 -9.919 6.376 0.086 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.632 6.677 0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.471 6.328 1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.903 8.853 1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.088 8.353 2.725 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.115 10.211 0.768 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.254 9.625 2.178 1.00 0.00 H new ATOM 34 N GLY A 5 -10.153 6.982 -2.308 1.00 0.00 N ATOM 35 CA GLY A 5 -10.464 6.988 -3.728 1.00 0.00 C ATOM 36 C GLY A 5 -9.736 5.856 -4.453 1.00 0.00 C ATOM 37 O GLY A 5 -8.780 5.289 -3.926 1.00 0.00 O ATOM 0 H GLY A 5 -9.188 6.739 -2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.540 6.882 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.178 7.946 -4.162 1.00 0.00 H new ATOM 38 N CYS A 6 -10.213 5.562 -5.654 1.00 0.00 N ATOM 39 CA CYS A 6 -9.618 4.509 -6.459 1.00 0.00 C ATOM 40 C CYS A 6 -10.449 4.351 -7.733 1.00 0.00 C ATOM 41 O CYS A 6 -11.591 3.892 -7.682 1.00 0.00 O ATOM 42 CB CYS A 6 -9.510 3.195 -5.680 1.00 0.00 C ATOM 43 SG CYS A 6 -7.885 2.363 -5.802 1.00 0.00 S ATOM 0 H CYS A 6 -11.005 6.035 -6.089 1.00 0.00 H new ATOM 0 HA CYS A 6 -8.597 4.783 -6.725 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.723 3.393 -4.630 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -10.280 2.512 -6.038 1.00 0.00 H new ATOM 44 N PRO A 7 -9.830 4.747 -8.876 1.00 0.00 N ATOM 45 CA PRO A 7 -10.500 4.653 -10.162 1.00 0.00 C ATOM 46 C PRO A 7 -10.549 3.205 -10.652 1.00 0.00 C ATOM 47 O PRO A 7 -11.562 2.761 -11.191 1.00 0.00 O ATOM 48 CB PRO A 7 -9.711 5.565 -11.086 1.00 0.00 C ATOM 49 CG PRO A 7 -8.362 5.772 -10.415 1.00 0.00 C ATOM 50 CD PRO A 7 -8.480 5.294 -8.976 1.00 0.00 C ATOM 0 HA PRO A 7 -11.544 4.963 -10.114 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -9.592 5.114 -12.071 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.226 6.515 -11.230 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.585 5.216 -10.940 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.077 6.824 -10.446 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.729 4.538 -8.747 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.332 6.114 -8.273 1.00 0.00 H new ATOM 51 N SER A 8 -9.443 2.506 -10.445 1.00 0.00 N ATOM 52 CA SER A 8 -9.346 1.117 -10.856 1.00 0.00 C ATOM 53 C SER A 8 -8.692 1.025 -12.238 1.00 0.00 C ATOM 54 O SER A 8 -8.414 -0.071 -12.725 1.00 0.00 O ATOM 55 CB SER A 8 -10.724 0.451 -10.876 1.00 0.00 C ATOM 56 OG SER A 8 -11.362 0.581 -12.143 1.00 0.00 O ATOM 0 H SER A 8 -8.605 2.877 -9.997 1.00 0.00 H new ATOM 0 HA SER A 8 -8.727 0.588 -10.131 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.619 -0.606 -10.630 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.353 0.897 -10.106 1.00 0.00 H new ATOM 0 HG SER A 8 -11.560 1.525 -12.314 1.00 0.00 H new ATOM 57 N SER A 9 -8.469 2.189 -12.830 1.00 0.00 N ATOM 58 CA SER A 9 -7.855 2.253 -14.145 1.00 0.00 C ATOM 59 C SER A 9 -6.349 2.004 -14.030 1.00 0.00 C ATOM 60 O SER A 9 -5.639 2.001 -15.035 1.00 0.00 O ATOM 61 CB SER A 9 -8.120 3.605 -14.811 1.00 0.00 C ATOM 62 OG SER A 9 -7.690 3.623 -16.169 1.00 0.00 O ATOM 0 H SER A 9 -8.702 3.095 -12.423 1.00 0.00 H new ATOM 0 HA SER A 9 -8.299 1.478 -14.769 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.186 3.829 -14.765 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.605 4.390 -14.257 1.00 0.00 H new ATOM 0 HG SER A 9 -6.877 3.084 -16.262 1.00 0.00 H new ATOM 63 N TYR A 10 -5.907 1.801 -12.799 1.00 0.00 N ATOM 64 CA TYR A 10 -4.499 1.551 -12.542 1.00 0.00 C ATOM 65 C TYR A 10 -4.166 0.067 -12.709 1.00 0.00 C ATOM 66 O TYR A 10 -3.797 -0.371 -13.798 1.00 0.00 O ATOM 67 CB TYR A 10 -4.258 1.953 -11.084 1.00 0.00 C ATOM 68 CG TYR A 10 -4.298 3.463 -10.842 1.00 0.00 C ATOM 69 CD1 TYR A 10 -3.388 4.286 -11.474 1.00 0.00 C ATOM 70 CD2 TYR A 10 -5.242 4.001 -9.992 1.00 0.00 C ATOM 71 CE1 TYR A 10 -3.424 5.708 -11.245 1.00 0.00 C ATOM 72 CE2 TYR A 10 -5.278 5.423 -9.764 1.00 0.00 C ATOM 73 CZ TYR A 10 -4.367 6.206 -10.401 1.00 0.00 C ATOM 74 OH TYR A 10 -4.402 7.548 -10.186 1.00 0.00 O ATOM 0 H TYR A 10 -6.498 1.804 -11.968 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.877 2.112 -13.240 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.010 1.474 -10.457 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.288 1.570 -10.767 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.649 3.864 -12.140 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.954 3.356 -9.498 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.718 6.364 -11.733 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.012 5.857 -9.102 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.912 7.735 -9.371 1.00 0.00 H new ATOM 75 N ASP A 11 -4.307 -0.667 -11.614 1.00 0.00 N ATOM 76 CA ASP A 11 -4.026 -2.092 -11.627 1.00 0.00 C ATOM 77 C ASP A 11 -3.719 -2.560 -10.203 1.00 0.00 C ATOM 78 O ASP A 11 -2.566 -2.552 -9.776 1.00 0.00 O ATOM 79 CB ASP A 11 -2.806 -2.406 -12.499 1.00 0.00 C ATOM 80 CG ASP A 11 -3.125 -3.076 -13.838 1.00 0.00 C ATOM 81 OD1 ASP A 11 -3.758 -4.141 -13.883 1.00 0.00 O ATOM 82 OD2 ASP A 11 -2.689 -2.451 -14.877 1.00 0.00 O ATOM 0 H ASP A 11 -4.612 -0.301 -10.712 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.900 -2.604 -12.030 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.268 -1.478 -12.693 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.133 -3.053 -11.937 1.00 0.00 H new ATOM 83 N GLY A 12 -4.774 -2.957 -9.505 1.00 0.00 N ATOM 84 CA GLY A 12 -4.632 -3.427 -8.137 1.00 0.00 C ATOM 85 C GLY A 12 -3.609 -2.588 -7.372 1.00 0.00 C ATOM 86 O GLY A 12 -2.678 -3.127 -6.777 1.00 0.00 O ATOM 0 H GLY A 12 -5.730 -2.963 -9.861 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.596 -3.381 -7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.322 -4.472 -8.138 1.00 0.00 H new ATOM 87 N TYR A 13 -3.815 -1.279 -7.412 1.00 0.00 N ATOM 88 CA TYR A 13 -2.921 -0.359 -6.729 1.00 0.00 C ATOM 89 C TYR A 13 -2.574 -0.869 -5.329 1.00 0.00 C ATOM 90 O TYR A 13 -1.559 -0.478 -4.757 1.00 0.00 O ATOM 91 CB TYR A 13 -3.687 0.959 -6.603 1.00 0.00 C ATOM 92 CG TYR A 13 -2.824 2.204 -6.818 1.00 0.00 C ATOM 93 CD1 TYR A 13 -1.956 2.620 -5.829 1.00 0.00 C ATOM 94 CD2 TYR A 13 -2.913 2.909 -8.000 1.00 0.00 C ATOM 95 CE1 TYR A 13 -1.144 3.791 -6.031 1.00 0.00 C ATOM 96 CE2 TYR A 13 -2.101 4.081 -8.201 1.00 0.00 C ATOM 97 CZ TYR A 13 -1.256 4.465 -7.207 1.00 0.00 C ATOM 98 OH TYR A 13 -0.488 5.571 -7.396 1.00 0.00 O ATOM 0 H TYR A 13 -4.588 -0.834 -7.907 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.988 -0.249 -7.282 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.501 0.965 -7.327 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.141 1.010 -5.613 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.886 2.067 -4.904 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.591 2.582 -8.774 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.461 4.127 -5.265 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.162 4.643 -9.121 1.00 0.00 H new ATOM 0 HH TYR A 13 0.042 5.743 -6.590 1.00 0.00 H new ATOM 99 N CYS A 14 -3.439 -1.735 -4.819 1.00 0.00 N ATOM 100 CA CYS A 14 -3.237 -2.302 -3.496 1.00 0.00 C ATOM 101 C CYS A 14 -3.382 -3.821 -3.597 1.00 0.00 C ATOM 102 O CYS A 14 -4.482 -4.331 -3.811 1.00 0.00 O ATOM 103 CB CYS A 14 -4.201 -1.703 -2.471 1.00 0.00 C ATOM 104 SG CYS A 14 -4.919 -0.089 -2.944 1.00 0.00 S ATOM 0 H CYS A 14 -4.280 -2.057 -5.298 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.236 -2.057 -3.141 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.013 -2.410 -2.301 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.675 -1.587 -1.523 1.00 0.00 H new ATOM 105 N LEU A 15 -2.257 -4.504 -3.443 1.00 0.00 N ATOM 106 CA LEU A 15 -2.246 -5.956 -3.516 1.00 0.00 C ATOM 107 C LEU A 15 -1.611 -6.520 -2.243 1.00 0.00 C ATOM 108 O LEU A 15 -0.972 -5.789 -1.487 1.00 0.00 O ATOM 109 CB LEU A 15 -1.563 -6.422 -4.804 1.00 0.00 C ATOM 110 CG LEU A 15 -0.841 -5.341 -5.610 1.00 0.00 C ATOM 111 CD1 LEU A 15 0.531 -5.031 -5.007 1.00 0.00 C ATOM 112 CD2 LEU A 15 -0.743 -5.733 -7.086 1.00 0.00 C ATOM 0 H LEU A 15 -1.346 -4.079 -3.268 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.263 -6.344 -3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.842 -7.199 -4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.315 -6.883 -5.444 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.429 -4.425 -5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.023 -4.259 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.407 -4.679 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.142 -5.934 -5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.226 -4.948 -7.637 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.189 -6.667 -7.178 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.745 -5.864 -7.495 1.00 0.00 H new ATOM 113 N ASN A 16 -1.812 -7.815 -2.045 1.00 0.00 N ATOM 114 CA ASN A 16 -1.266 -8.486 -0.878 1.00 0.00 C ATOM 115 C ASN A 16 -2.192 -8.251 0.319 1.00 0.00 C ATOM 116 O ASN A 16 -2.632 -9.202 0.964 1.00 0.00 O ATOM 117 CB ASN A 16 0.115 -7.935 -0.520 1.00 0.00 C ATOM 118 CG ASN A 16 0.984 -7.780 -1.769 1.00 0.00 C ATOM 119 OD1 ASN A 16 0.515 -7.846 -2.895 1.00 0.00 O ATOM 120 ND2 ASN A 16 2.270 -7.570 -1.511 1.00 0.00 N ATOM 0 H ASN A 16 -2.345 -8.417 -2.673 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.182 -9.548 -1.109 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.008 -6.970 -0.025 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.605 -8.604 0.188 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.932 -7.453 -2.278 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.596 -7.526 -0.545 1.00 0.00 H new ATOM 121 N GLY A 17 -2.460 -6.980 0.579 1.00 0.00 N ATOM 122 CA GLY A 17 -3.326 -6.607 1.685 1.00 0.00 C ATOM 123 C GLY A 17 -3.128 -5.140 2.067 1.00 0.00 C ATOM 124 O GLY A 17 -2.448 -4.835 3.047 1.00 0.00 O ATOM 0 H GLY A 17 -2.092 -6.194 0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.367 -6.777 1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.116 -7.242 2.546 1.00 0.00 H new ATOM 125 N GLY A 18 -3.732 -4.268 1.272 1.00 0.00 N ATOM 126 CA GLY A 18 -3.631 -2.840 1.515 1.00 0.00 C ATOM 127 C GLY A 18 -4.871 -2.107 1.001 1.00 0.00 C ATOM 128 O GLY A 18 -5.488 -2.534 0.026 1.00 0.00 O ATOM 0 H GLY A 18 -4.293 -4.524 0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.513 -2.657 2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.741 -2.446 1.023 1.00 0.00 H new ATOM 129 N VAL A 19 -5.197 -1.015 1.678 1.00 0.00 N ATOM 130 CA VAL A 19 -6.353 -0.219 1.301 1.00 0.00 C ATOM 131 C VAL A 19 -5.947 0.777 0.212 1.00 0.00 C ATOM 132 O VAL A 19 -4.760 0.964 -0.052 1.00 0.00 O ATOM 133 CB VAL A 19 -6.949 0.457 2.537 1.00 0.00 C ATOM 134 CG1 VAL A 19 -6.382 1.865 2.719 1.00 0.00 C ATOM 135 CG2 VAL A 19 -8.476 0.485 2.463 1.00 0.00 C ATOM 0 H VAL A 19 -4.681 -0.663 2.485 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.135 -0.854 0.886 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.667 -0.132 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.822 2.323 3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.300 1.809 2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.619 2.469 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.875 0.971 3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.787 1.039 1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.856 -0.535 2.405 1.00 0.00 H new ATOM 136 N CYS A 20 -6.956 1.391 -0.389 1.00 0.00 N ATOM 137 CA CYS A 20 -6.718 2.364 -1.443 1.00 0.00 C ATOM 138 C CYS A 20 -6.844 3.764 -0.841 1.00 0.00 C ATOM 139 O CYS A 20 -7.848 4.083 -0.205 1.00 0.00 O ATOM 140 CB CYS A 20 -7.671 2.161 -2.623 1.00 0.00 C ATOM 141 SG CYS A 20 -7.176 3.017 -4.164 1.00 0.00 S ATOM 0 H CYS A 20 -7.939 1.234 -0.167 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.713 2.232 -1.845 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.752 1.093 -2.827 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.664 2.507 -2.334 1.00 0.00 H new ATOM 142 N MET A 21 -5.811 4.564 -1.063 1.00 0.00 N ATOM 143 CA MET A 21 -5.793 5.923 -0.549 1.00 0.00 C ATOM 144 C MET A 21 -5.235 6.895 -1.591 1.00 0.00 C ATOM 145 O MET A 21 -4.077 6.786 -1.989 1.00 0.00 O ATOM 146 CB MET A 21 -4.934 5.980 0.715 1.00 0.00 C ATOM 147 CG MET A 21 -5.781 5.728 1.965 1.00 0.00 C ATOM 148 SD MET A 21 -7.034 6.987 2.119 1.00 0.00 S ATOM 149 CE MET A 21 -7.469 6.784 3.838 1.00 0.00 C ATOM 0 H MET A 21 -4.981 4.297 -1.592 1.00 0.00 H new ATOM 0 HA MET A 21 -6.816 6.217 -0.316 1.00 0.00 H new ATOM 0 HB2 MET A 21 -4.140 5.236 0.653 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.452 6.955 0.788 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.248 4.745 1.906 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.145 5.726 2.850 1.00 0.00 H new ATOM 0 HE1 MET A 21 -8.247 7.500 4.104 1.00 0.00 H new ATOM 0 HE2 MET A 21 -7.837 5.771 4.003 1.00 0.00 H new ATOM 0 HE3 MET A 21 -6.590 6.957 4.459 1.00 0.00 H new ATOM 150 N HIS A 22 -6.086 7.825 -2.003 1.00 0.00 N ATOM 151 CA HIS A 22 -5.692 8.815 -2.990 1.00 0.00 C ATOM 152 C HIS A 22 -5.013 9.993 -2.292 1.00 0.00 C ATOM 153 O HIS A 22 -5.470 10.447 -1.243 1.00 0.00 O ATOM 154 CB HIS A 22 -6.891 9.240 -3.841 1.00 0.00 C ATOM 155 CG HIS A 22 -6.528 10.105 -5.024 1.00 0.00 C ATOM 156 ND1 HIS A 22 -7.313 11.163 -5.447 1.00 0.00 N ATOM 157 CD2 HIS A 22 -5.457 10.058 -5.868 1.00 0.00 C ATOM 158 CE1 HIS A 22 -6.732 11.722 -6.498 1.00 0.00 C ATOM 159 NE2 HIS A 22 -5.583 11.034 -6.758 1.00 0.00 N ATOM 0 H HIS A 22 -7.046 7.913 -1.671 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.968 8.380 -3.678 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.403 8.347 -4.200 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.597 9.781 -3.211 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.645 9.347 -5.820 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.102 12.572 -7.051 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.928 11.237 -7.513 1.00 0.00 H new ATOM 160 N ILE A 23 -3.931 10.457 -2.901 1.00 0.00 N ATOM 161 CA ILE A 23 -3.186 11.576 -2.351 1.00 0.00 C ATOM 162 C ILE A 23 -3.623 12.866 -3.045 1.00 0.00 C ATOM 163 O ILE A 23 -4.141 12.832 -4.160 1.00 0.00 O ATOM 164 CB ILE A 23 -1.681 11.310 -2.438 1.00 0.00 C ATOM 165 CG1 ILE A 23 -1.400 9.835 -2.732 1.00 0.00 C ATOM 166 CG2 ILE A 23 -0.966 11.788 -1.173 1.00 0.00 C ATOM 167 CD1 ILE A 23 0.084 9.512 -2.553 1.00 0.00 C ATOM 0 H ILE A 23 -3.553 10.078 -3.769 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.406 11.696 -1.290 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.281 11.886 -3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.995 9.209 -2.067 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.707 9.599 -3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.102 11.587 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.125 12.859 -1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.365 11.259 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.255 8.457 -2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.674 10.122 -3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.382 9.726 -1.526 1.00 0.00 H new ATOM 168 N GLU A 24 -3.397 13.977 -2.358 1.00 0.00 N ATOM 169 CA GLU A 24 -3.762 15.277 -2.894 1.00 0.00 C ATOM 170 C GLU A 24 -2.519 16.156 -3.046 1.00 0.00 C ATOM 171 O GLU A 24 -2.595 17.261 -3.582 1.00 0.00 O ATOM 172 CB GLU A 24 -4.811 15.959 -2.013 1.00 0.00 C ATOM 173 CG GLU A 24 -6.153 16.064 -2.741 1.00 0.00 C ATOM 174 CD GLU A 24 -7.028 17.158 -2.125 1.00 0.00 C ATOM 175 OE1 GLU A 24 -6.733 18.360 -2.488 1.00 0.00 O ATOM 176 OE2 GLU A 24 -7.937 16.856 -1.339 1.00 0.00 O ATOM 0 H GLU A 24 -2.965 14.003 -1.434 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.203 15.131 -3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.938 15.395 -1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.465 16.954 -1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.983 16.281 -3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.673 15.107 -2.692 1.00 0.00 H new ATOM 177 N SER A 25 -1.401 15.632 -2.565 1.00 0.00 N ATOM 178 CA SER A 25 -0.143 16.356 -2.641 1.00 0.00 C ATOM 179 C SER A 25 0.178 16.695 -4.098 1.00 0.00 C ATOM 180 O SER A 25 0.867 17.676 -4.372 1.00 0.00 O ATOM 181 CB SER A 25 0.997 15.544 -2.021 1.00 0.00 C ATOM 182 OG SER A 25 2.220 16.274 -1.998 1.00 0.00 O ATOM 0 H SER A 25 -1.340 14.715 -2.122 1.00 0.00 H new ATOM 0 HA SER A 25 -0.245 17.281 -2.074 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.727 15.257 -1.005 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.135 14.622 -2.587 1.00 0.00 H new ATOM 0 HG SER A 25 2.922 15.723 -1.594 1.00 0.00 H new ATOM 183 N LEU A 26 -0.336 15.865 -4.993 1.00 0.00 N ATOM 184 CA LEU A 26 -0.113 16.065 -6.415 1.00 0.00 C ATOM 185 C LEU A 26 -1.153 15.272 -7.207 1.00 0.00 C ATOM 186 O LEU A 26 -0.908 14.888 -8.349 1.00 0.00 O ATOM 187 CB LEU A 26 1.332 15.723 -6.783 1.00 0.00 C ATOM 188 CG LEU A 26 2.208 16.898 -7.220 1.00 0.00 C ATOM 189 CD1 LEU A 26 3.683 16.490 -7.282 1.00 0.00 C ATOM 190 CD2 LEU A 26 1.721 17.485 -8.545 1.00 0.00 C ATOM 0 H LEU A 26 -0.907 15.052 -4.761 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.245 17.115 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.802 15.245 -5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.317 14.988 -7.587 1.00 0.00 H new ATOM 0 HG LEU A 26 2.121 17.684 -6.470 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.284 17.344 -7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.010 16.158 -6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.806 15.678 -7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.362 18.319 -8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.757 16.717 -9.318 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.696 17.838 -8.432 1.00 0.00 H new ATOM 191 N ASP A 27 -2.292 15.046 -6.568 1.00 0.00 N ATOM 192 CA ASP A 27 -3.371 14.305 -7.199 1.00 0.00 C ATOM 193 C ASP A 27 -2.907 12.874 -7.475 1.00 0.00 C ATOM 194 O ASP A 27 -3.422 12.214 -8.376 1.00 0.00 O ATOM 195 CB ASP A 27 -3.770 14.939 -8.532 1.00 0.00 C ATOM 196 CG ASP A 27 -5.273 14.971 -8.810 1.00 0.00 C ATOM 197 OD1 ASP A 27 -6.011 15.793 -8.245 1.00 0.00 O ATOM 198 OD2 ASP A 27 -5.689 14.092 -9.659 1.00 0.00 O ATOM 0 H ASP A 27 -2.491 15.363 -5.619 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.227 14.317 -6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.389 15.960 -8.560 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.279 14.394 -9.338 1.00 0.00 H new ATOM 199 N SER A 28 -1.939 12.437 -6.684 1.00 0.00 N ATOM 200 CA SER A 28 -1.398 11.097 -6.833 1.00 0.00 C ATOM 201 C SER A 28 -2.229 10.103 -6.019 1.00 0.00 C ATOM 202 O SER A 28 -3.025 10.504 -5.170 1.00 0.00 O ATOM 203 CB SER A 28 0.069 11.042 -6.400 1.00 0.00 C ATOM 204 OG SER A 28 0.478 9.717 -6.070 1.00 0.00 O ATOM 0 H SER A 28 -1.515 12.987 -5.937 1.00 0.00 H new ATOM 0 HA SER A 28 -1.447 10.825 -7.887 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.699 11.427 -7.202 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.218 11.693 -5.538 1.00 0.00 H new ATOM 0 HG SER A 28 1.420 9.723 -5.800 1.00 0.00 H new ATOM 205 N TYR A 29 -2.018 8.827 -6.307 1.00 0.00 N ATOM 206 CA TYR A 29 -2.739 7.775 -5.611 1.00 0.00 C ATOM 207 C TYR A 29 -1.777 6.865 -4.845 1.00 0.00 C ATOM 208 O TYR A 29 -0.643 6.653 -5.274 1.00 0.00 O ATOM 209 CB TYR A 29 -3.441 6.956 -6.696 1.00 0.00 C ATOM 210 CG TYR A 29 -4.887 7.380 -6.958 1.00 0.00 C ATOM 211 CD1 TYR A 29 -5.162 8.356 -7.894 1.00 0.00 C ATOM 212 CD2 TYR A 29 -5.917 6.785 -6.259 1.00 0.00 C ATOM 213 CE1 TYR A 29 -6.523 8.755 -8.139 1.00 0.00 C ATOM 214 CE2 TYR A 29 -7.279 7.185 -6.506 1.00 0.00 C ATOM 215 CZ TYR A 29 -7.515 8.149 -7.433 1.00 0.00 C ATOM 216 OH TYR A 29 -8.802 8.527 -7.666 1.00 0.00 O ATOM 0 H TYR A 29 -1.359 8.498 -7.012 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.437 8.201 -4.890 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.875 7.040 -7.624 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.428 5.905 -6.409 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.356 8.820 -8.443 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.703 6.020 -5.527 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.752 9.519 -8.867 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.095 6.728 -5.966 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.404 8.010 -7.091 1.00 0.00 H new ATOM 217 N THR A 30 -2.264 6.350 -3.726 1.00 0.00 N ATOM 218 CA THR A 30 -1.460 5.467 -2.897 1.00 0.00 C ATOM 219 C THR A 30 -2.304 4.294 -2.394 1.00 0.00 C ATOM 220 O THR A 30 -3.464 4.151 -2.777 1.00 0.00 O ATOM 221 CB THR A 30 -0.850 6.304 -1.769 1.00 0.00 C ATOM 222 OG1 THR A 30 0.054 5.411 -1.125 1.00 0.00 O ATOM 223 CG2 THR A 30 -1.868 6.652 -0.681 1.00 0.00 C ATOM 0 H THR A 30 -3.205 6.527 -3.374 1.00 0.00 H new ATOM 0 HA THR A 30 -0.646 5.020 -3.468 1.00 0.00 H new ATOM 0 HB THR A 30 -0.433 7.222 -2.183 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.495 5.872 -0.381 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.383 7.246 0.094 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.686 7.224 -1.118 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.260 5.734 -0.243 1.00 0.00 H new ATOM 224 N CYS A 31 -1.689 3.486 -1.544 1.00 0.00 N ATOM 225 CA CYS A 31 -2.368 2.329 -0.986 1.00 0.00 C ATOM 226 C CYS A 31 -1.724 1.999 0.362 1.00 0.00 C ATOM 227 O CYS A 31 -0.506 1.856 0.455 1.00 0.00 O ATOM 228 CB CYS A 31 -2.334 1.137 -1.943 1.00 0.00 C ATOM 229 SG CYS A 31 -3.778 1.007 -3.059 1.00 0.00 S ATOM 0 H CYS A 31 -0.727 3.609 -1.228 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.423 2.560 -0.837 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.430 1.201 -2.548 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.262 0.221 -1.357 1.00 0.00 H new ATOM 230 N ASN A 32 -2.571 1.885 1.376 1.00 0.00 N ATOM 231 CA ASN A 32 -2.100 1.573 2.714 1.00 0.00 C ATOM 232 C ASN A 32 -1.774 0.081 2.801 1.00 0.00 C ATOM 233 O ASN A 32 -2.657 -0.736 3.060 1.00 0.00 O ATOM 234 CB ASN A 32 -3.170 1.886 3.762 1.00 0.00 C ATOM 235 CG ASN A 32 -3.763 3.280 3.542 1.00 0.00 C ATOM 236 OD1 ASN A 32 -3.662 3.864 2.476 1.00 0.00 O ATOM 237 ND2 ASN A 32 -4.385 3.778 4.606 1.00 0.00 N ATOM 0 H ASN A 32 -3.581 2.003 1.297 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.216 2.180 2.910 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.962 1.138 3.713 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.735 1.825 4.760 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.814 4.702 4.560 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.433 3.236 5.469 1.00 0.00 H new ATOM 238 N CYS A 33 -0.506 -0.229 2.579 1.00 0.00 N ATOM 239 CA CYS A 33 -0.053 -1.609 2.630 1.00 0.00 C ATOM 240 C CYS A 33 -0.307 -2.146 4.040 1.00 0.00 C ATOM 241 O CYS A 33 -1.274 -1.756 4.692 1.00 0.00 O ATOM 242 CB CYS A 33 1.417 -1.737 2.226 1.00 0.00 C ATOM 243 SG CYS A 33 1.873 -3.348 1.487 1.00 0.00 S ATOM 0 H CYS A 33 0.223 0.451 2.363 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.613 -2.205 1.909 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.653 -0.947 1.514 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.037 -1.569 3.106 1.00 0.00 H new ATOM 0 HG CYS A 33 0.794 -4.013 1.196 1.00 0.00 H new ATOM 244 N VAL A 34 0.578 -3.035 4.468 1.00 0.00 N ATOM 245 CA VAL A 34 0.461 -3.631 5.788 1.00 0.00 C ATOM 246 C VAL A 34 1.855 -3.998 6.300 1.00 0.00 C ATOM 247 O VAL A 34 2.859 -3.508 5.788 1.00 0.00 O ATOM 248 CB VAL A 34 -0.493 -4.826 5.740 1.00 0.00 C ATOM 249 CG1 VAL A 34 0.260 -6.117 5.410 1.00 0.00 C ATOM 250 CG2 VAL A 34 -1.266 -4.963 7.053 1.00 0.00 C ATOM 0 H VAL A 34 1.379 -3.357 3.924 1.00 0.00 H new ATOM 0 HA VAL A 34 0.032 -2.919 6.493 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.215 -4.646 4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.442 -6.951 5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.744 -6.018 4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.015 -6.303 6.174 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.937 -5.820 6.992 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.565 -5.109 7.875 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.848 -4.058 7.229 1.00 0.00 H new ATOM 251 N ILE A 35 1.871 -4.859 7.309 1.00 0.00 N ATOM 252 CA ILE A 35 3.126 -5.297 7.898 1.00 0.00 C ATOM 253 C ILE A 35 3.779 -6.333 6.980 1.00 0.00 C ATOM 254 O ILE A 35 3.144 -7.311 6.591 1.00 0.00 O ATOM 255 CB ILE A 35 2.900 -5.796 9.327 1.00 0.00 C ATOM 256 CG1 ILE A 35 1.938 -4.877 10.083 1.00 0.00 C ATOM 257 CG2 ILE A 35 4.230 -5.965 10.065 1.00 0.00 C ATOM 258 CD1 ILE A 35 2.703 -3.902 10.980 1.00 0.00 C ATOM 0 H ILE A 35 1.036 -5.264 7.733 1.00 0.00 H new ATOM 0 HA ILE A 35 3.821 -4.462 7.983 1.00 0.00 H new ATOM 0 HB ILE A 35 2.432 -6.779 9.276 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.327 -4.320 9.372 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.257 -5.476 10.688 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.041 -6.320 11.078 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.850 -6.689 9.536 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.747 -5.006 10.107 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.996 -3.260 11.506 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.294 -4.462 11.705 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.365 -3.288 10.369 1.00 0.00 H new ATOM 259 N GLY A 36 5.040 -6.082 6.664 1.00 0.00 N ATOM 260 CA GLY A 36 5.788 -6.980 5.800 1.00 0.00 C ATOM 261 C GLY A 36 5.651 -6.571 4.333 1.00 0.00 C ATOM 262 O GLY A 36 6.158 -7.253 3.444 1.00 0.00 O ATOM 0 H GLY A 36 5.563 -5.270 6.990 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.840 -6.973 6.086 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.428 -8.000 5.932 1.00 0.00 H new ATOM 263 N TYR A 37 4.961 -5.459 4.124 1.00 0.00 N ATOM 264 CA TYR A 37 4.749 -4.950 2.780 1.00 0.00 C ATOM 265 C TYR A 37 4.448 -3.450 2.802 1.00 0.00 C ATOM 266 O TYR A 37 3.784 -2.960 3.713 1.00 0.00 O ATOM 267 CB TYR A 37 3.529 -5.696 2.234 1.00 0.00 C ATOM 268 CG TYR A 37 3.698 -7.215 2.187 1.00 0.00 C ATOM 269 CD1 TYR A 37 3.524 -7.965 3.333 1.00 0.00 C ATOM 270 CD2 TYR A 37 4.024 -7.837 0.999 1.00 0.00 C ATOM 271 CE1 TYR A 37 3.681 -9.395 3.289 1.00 0.00 C ATOM 272 CE2 TYR A 37 4.183 -9.267 0.955 1.00 0.00 C ATOM 273 CZ TYR A 37 4.004 -9.975 2.102 1.00 0.00 C ATOM 274 OH TYR A 37 4.152 -11.327 2.060 1.00 0.00 O ATOM 0 H TYR A 37 4.541 -4.896 4.864 1.00 0.00 H new ATOM 0 HA TYR A 37 5.639 -5.100 2.168 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.663 -5.456 2.851 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.314 -5.333 1.229 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.270 -7.478 4.263 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.160 -7.251 0.102 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.545 -9.993 4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.439 -9.766 0.032 1.00 0.00 H new ATOM 0 HH TYR A 37 4.143 -11.628 1.128 1.00 0.00 H new ATOM 275 N SER A 38 4.951 -2.763 1.787 1.00 0.00 N ATOM 276 CA SER A 38 4.744 -1.329 1.678 1.00 0.00 C ATOM 277 C SER A 38 4.977 -0.876 0.235 1.00 0.00 C ATOM 278 O SER A 38 5.256 -1.693 -0.638 1.00 0.00 O ATOM 279 CB SER A 38 5.670 -0.566 2.631 1.00 0.00 C ATOM 280 OG SER A 38 5.695 -1.148 3.929 1.00 0.00 O ATOM 0 H SER A 38 5.502 -3.173 1.033 1.00 0.00 H new ATOM 0 HA SER A 38 3.714 -1.108 1.960 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.680 -0.551 2.221 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.340 0.470 2.705 1.00 0.00 H new ATOM 0 HG SER A 38 4.823 -1.550 4.124 1.00 0.00 H new ATOM 281 N GLY A 39 4.853 0.429 0.032 1.00 0.00 N ATOM 282 CA GLY A 39 5.044 1.001 -1.290 1.00 0.00 C ATOM 283 C GLY A 39 3.713 1.463 -1.885 1.00 0.00 C ATOM 284 O GLY A 39 2.660 1.284 -1.276 1.00 0.00 O ATOM 0 H GLY A 39 4.623 1.105 0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.732 1.845 -1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.503 0.262 -1.947 1.00 0.00 H new ATOM 285 N ASP A 40 3.803 2.050 -3.070 1.00 0.00 N ATOM 286 CA ASP A 40 2.619 2.539 -3.756 1.00 0.00 C ATOM 287 C ASP A 40 1.517 1.480 -3.680 1.00 0.00 C ATOM 288 O ASP A 40 0.334 1.806 -3.746 1.00 0.00 O ATOM 289 CB ASP A 40 2.911 2.811 -5.232 1.00 0.00 C ATOM 290 CG ASP A 40 1.743 3.399 -6.025 1.00 0.00 C ATOM 291 OD1 ASP A 40 1.576 4.671 -5.887 1.00 0.00 O ATOM 292 OD2 ASP A 40 1.027 2.680 -6.737 1.00 0.00 O ATOM 0 H ASP A 40 4.678 2.198 -3.572 1.00 0.00 H new ATOM 0 HA ASP A 40 2.308 3.465 -3.273 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.757 3.495 -5.299 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.218 1.878 -5.704 1.00 0.00 H new ATOM 293 N ARG A 41 1.947 0.234 -3.541 1.00 0.00 N ATOM 294 CA ARG A 41 1.012 -0.874 -3.454 1.00 0.00 C ATOM 295 C ARG A 41 1.320 -1.735 -2.227 1.00 0.00 C ATOM 296 O ARG A 41 0.694 -1.578 -1.182 1.00 0.00 O ATOM 297 CB ARG A 41 1.073 -1.746 -4.710 1.00 0.00 C ATOM 298 CG ARG A 41 0.652 -0.953 -5.949 1.00 0.00 C ATOM 299 CD ARG A 41 1.741 -0.995 -7.023 1.00 0.00 C ATOM 300 NE ARG A 41 1.302 -0.243 -8.220 1.00 0.00 N ATOM 301 CZ ARG A 41 2.123 0.125 -9.226 1.00 0.00 C ATOM 302 NH1 ARG A 41 2.346 -0.707 -10.268 1.00 0.00 N ATOM 303 NH2 ARG A 41 2.707 1.308 -9.177 1.00 0.00 N ATOM 0 H ARG A 41 2.930 -0.032 -3.487 1.00 0.00 H new ATOM 0 HA ARG A 41 0.010 -0.455 -3.365 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.086 -2.126 -4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.421 -2.611 -4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.275 -1.363 -6.350 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.449 0.081 -5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.664 -0.567 -6.633 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.958 -2.029 -7.292 1.00 0.00 H new ATOM 0 HE ARG A 41 0.317 0.013 -8.289 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.892 -1.620 -10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.968 -0.422 -11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.535 1.929 -8.387 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.330 1.601 -9.930 1.00 0.00 H new ATOM 304 N CYS A 42 2.286 -2.626 -2.398 1.00 0.00 N ATOM 305 CA CYS A 42 2.685 -3.512 -1.319 1.00 0.00 C ATOM 306 C CYS A 42 3.670 -4.541 -1.881 1.00 0.00 C ATOM 307 O CYS A 42 3.777 -5.651 -1.362 1.00 0.00 O ATOM 308 CB CYS A 42 1.478 -4.179 -0.659 1.00 0.00 C ATOM 309 SG CYS A 42 1.265 -3.797 1.118 1.00 0.00 S ATOM 0 H CYS A 42 2.804 -2.753 -3.268 1.00 0.00 H new ATOM 0 HA CYS A 42 3.173 -2.935 -0.533 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.577 -3.876 -1.192 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.569 -5.259 -0.776 1.00 0.00 H new ATOM 0 HG CYS A 42 2.374 -3.313 1.594 1.00 0.00 H new ATOM 310 N GLN A 43 4.363 -4.134 -2.935 1.00 0.00 N ATOM 311 CA GLN A 43 5.335 -5.007 -3.571 1.00 0.00 C ATOM 312 C GLN A 43 6.612 -5.083 -2.730 1.00 0.00 C ATOM 313 O GLN A 43 7.328 -6.082 -2.773 1.00 0.00 O ATOM 314 CB GLN A 43 5.644 -4.536 -4.994 1.00 0.00 C ATOM 315 CG GLN A 43 6.893 -3.653 -5.021 1.00 0.00 C ATOM 316 CD GLN A 43 6.815 -2.626 -6.152 1.00 0.00 C ATOM 317 OE1 GLN A 43 5.749 -2.207 -6.572 1.00 0.00 O ATOM 318 NE2 GLN A 43 8.000 -2.244 -6.619 1.00 0.00 N ATOM 0 H GLN A 43 4.271 -3.213 -3.364 1.00 0.00 H new ATOM 0 HA GLN A 43 4.907 -6.007 -3.638 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.791 -5.400 -5.643 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.793 -3.981 -5.390 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.000 -3.139 -4.066 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.779 -4.274 -5.150 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.855 -2.635 -6.222 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.054 -1.560 -7.374 1.00 0.00 H new ATOM 319 N THR A 44 6.856 -4.014 -1.986 1.00 0.00 N ATOM 320 CA THR A 44 8.033 -3.949 -1.136 1.00 0.00 C ATOM 321 C THR A 44 7.843 -4.820 0.106 1.00 0.00 C ATOM 322 O THR A 44 7.318 -4.356 1.118 1.00 0.00 O ATOM 323 CB THR A 44 8.303 -2.478 -0.813 1.00 0.00 C ATOM 324 OG1 THR A 44 8.846 -1.952 -2.021 1.00 0.00 O ATOM 325 CG2 THR A 44 9.423 -2.299 0.210 1.00 0.00 C ATOM 0 H THR A 44 6.260 -3.187 -1.954 1.00 0.00 H new ATOM 0 HA THR A 44 8.910 -4.351 -1.644 1.00 0.00 H new ATOM 0 HB THR A 44 7.391 -2.016 -0.435 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.049 -1.001 -1.901 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.573 -1.237 0.403 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.152 -2.801 1.138 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.345 -2.731 -0.180 1.00 0.00 H new ATOM 326 N ARG A 45 8.280 -6.065 -0.009 1.00 0.00 N ATOM 327 CA ARG A 45 8.163 -7.005 1.094 1.00 0.00 C ATOM 328 C ARG A 45 9.250 -6.735 2.138 1.00 0.00 C ATOM 329 O ARG A 45 10.439 -6.770 1.825 1.00 0.00 O ATOM 330 CB ARG A 45 8.286 -8.449 0.603 1.00 0.00 C ATOM 331 CG ARG A 45 7.011 -9.239 0.898 1.00 0.00 C ATOM 332 CD ARG A 45 7.328 -10.712 1.165 1.00 0.00 C ATOM 333 NE ARG A 45 7.960 -11.318 -0.028 1.00 0.00 N ATOM 334 CZ ARG A 45 7.282 -11.991 -0.981 1.00 0.00 C ATOM 335 NH1 ARG A 45 7.036 -13.313 -0.844 1.00 0.00 N ATOM 336 NH2 ARG A 45 6.864 -11.340 -2.051 1.00 0.00 N ATOM 0 H ARG A 45 8.716 -6.445 -0.849 1.00 0.00 H new ATOM 0 HA ARG A 45 7.179 -6.868 1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.483 -8.457 -0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.136 -8.930 1.087 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.505 -8.810 1.763 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.325 -9.158 0.055 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.994 -10.799 2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.413 -11.250 1.415 1.00 0.00 H new ATOM 0 HE ARG A 45 8.970 -11.221 -0.137 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.364 -13.810 -0.015 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.523 -13.814 -1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.055 -10.343 -2.148 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.350 -11.834 -2.780 1.00 0.00 H new ATOM 337 N ASP A 46 8.802 -6.470 3.356 1.00 0.00 N ATOM 338 CA ASP A 46 9.718 -6.193 4.448 1.00 0.00 C ATOM 339 C ASP A 46 10.562 -7.439 4.727 1.00 0.00 C ATOM 340 O ASP A 46 10.901 -8.181 3.807 1.00 0.00 O ATOM 341 CB ASP A 46 8.962 -5.839 5.729 1.00 0.00 C ATOM 342 CG ASP A 46 9.672 -4.844 6.646 1.00 0.00 C ATOM 343 OD1 ASP A 46 10.575 -5.356 7.413 1.00 0.00 O ATOM 344 OD2 ASP A 46 9.380 -3.639 6.631 1.00 0.00 O ATOM 0 H ASP A 46 7.815 -6.441 3.611 1.00 0.00 H new ATOM 0 HA ASP A 46 10.344 -5.350 4.156 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.989 -5.429 5.457 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.776 -6.756 6.288 1.00 0.00 H new ATOM 345 N LEU A 47 10.877 -7.629 6.000 1.00 0.00 N ATOM 346 CA LEU A 47 11.674 -8.771 6.411 1.00 0.00 C ATOM 347 C LEU A 47 10.889 -9.594 7.432 1.00 0.00 C ATOM 348 O LEU A 47 10.749 -10.806 7.283 1.00 0.00 O ATOM 349 CB LEU A 47 13.046 -8.315 6.914 1.00 0.00 C ATOM 350 CG LEU A 47 14.067 -7.949 5.835 1.00 0.00 C ATOM 351 CD1 LEU A 47 14.343 -9.140 4.914 1.00 0.00 C ATOM 352 CD2 LEU A 47 13.622 -6.712 5.055 1.00 0.00 C ATOM 0 H LEU A 47 10.594 -7.011 6.760 1.00 0.00 H new ATOM 0 HA LEU A 47 11.872 -9.422 5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.905 -7.449 7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 47 13.467 -9.109 7.531 1.00 0.00 H new ATOM 0 HG LEU A 47 15.007 -7.698 6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.072 -8.853 4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.737 -9.970 5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.417 -9.447 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.366 -6.474 4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.663 -6.910 4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.519 -5.869 5.738 1.00 0.00 H new ATOM 353 N ARG A 48 10.395 -8.902 8.450 1.00 0.00 N ATOM 354 CA ARG A 48 9.627 -9.554 9.497 1.00 0.00 C ATOM 355 C ARG A 48 9.303 -8.561 10.614 1.00 0.00 C ATOM 356 O ARG A 48 9.894 -8.618 11.691 1.00 0.00 O ATOM 357 CB ARG A 48 10.394 -10.742 10.084 1.00 0.00 C ATOM 358 CG ARG A 48 9.718 -12.065 9.721 1.00 0.00 C ATOM 359 CD ARG A 48 10.469 -13.249 10.332 1.00 0.00 C ATOM 360 NE ARG A 48 9.795 -14.517 9.973 1.00 0.00 N ATOM 361 CZ ARG A 48 8.922 -15.164 10.774 1.00 0.00 C ATOM 362 NH1 ARG A 48 9.364 -16.046 11.694 1.00 0.00 N ATOM 363 NH2 ARG A 48 7.632 -14.920 10.645 1.00 0.00 N ATOM 0 H ARG A 48 10.512 -7.896 8.571 1.00 0.00 H new ATOM 0 HA ARG A 48 8.701 -9.919 9.052 1.00 0.00 H new ATOM 0 HB2 ARG A 48 11.418 -10.738 9.711 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.450 -10.644 11.168 1.00 0.00 H new ATOM 0 HG2 ARG A 48 8.688 -12.061 10.076 1.00 0.00 H new ATOM 0 HG3 ARG A 48 9.681 -12.173 8.637 1.00 0.00 H new ATOM 0 HD2 ARG A 48 11.498 -13.261 9.974 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.510 -13.144 11.416 1.00 0.00 H new ATOM 0 HE ARG A 48 10.003 -14.928 9.063 1.00 0.00 H new ATOM 0 HH11 ARG A 48 10.363 -16.227 11.788 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.699 -16.531 12.296 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.307 -14.251 9.947 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.960 -15.401 11.243 1.00 0.00 H new ATOM 364 N TRP A 49 8.363 -7.674 10.319 1.00 0.00 N ATOM 365 CA TRP A 49 7.952 -6.671 11.284 1.00 0.00 C ATOM 366 C TRP A 49 6.827 -7.265 12.136 1.00 0.00 C ATOM 367 O TRP A 49 5.800 -6.622 12.349 1.00 0.00 O ATOM 368 CB TRP A 49 7.551 -5.369 10.587 1.00 0.00 C ATOM 369 CG TRP A 49 7.201 -4.231 11.546 1.00 0.00 C ATOM 370 CD1 TRP A 49 6.022 -3.975 12.129 1.00 0.00 C ATOM 371 CD2 TRP A 49 8.092 -3.197 12.014 1.00 0.00 C ATOM 372 NE1 TRP A 49 6.087 -2.857 12.934 1.00 0.00 N ATOM 373 CE2 TRP A 49 7.387 -2.367 12.863 1.00 0.00 C ATOM 374 CE3 TRP A 49 9.450 -2.969 11.732 1.00 0.00 C ATOM 375 CZ2 TRP A 49 7.954 -1.257 13.497 1.00 0.00 C ATOM 376 CZ3 TRP A 49 10.004 -1.854 12.373 1.00 0.00 C ATOM 377 CH2 TRP A 49 9.306 -1.010 13.229 1.00 0.00 C ATOM 0 H TRP A 49 7.875 -7.630 9.424 1.00 0.00 H new ATOM 0 HA TRP A 49 8.781 -6.406 11.940 1.00 0.00 H new ATOM 0 HB2 TRP A 49 8.369 -5.048 9.942 1.00 0.00 H new ATOM 0 HB3 TRP A 49 6.694 -5.563 9.942 1.00 0.00 H new ATOM 0 HD1 TRP A 49 5.132 -4.570 11.986 1.00 0.00 H new ATOM 0 HE1 TRP A 49 5.322 -2.462 13.481 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.022 -3.605 11.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 7.380 -0.624 14.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 11.045 -1.635 12.190 1.00 0.00 H new ATOM 0 HH2 TRP A 49 9.804 -0.167 13.685 1.00 0.00 H new ATOM 378 N TRP A 50 7.059 -8.484 12.597 1.00 0.00 N ATOM 379 CA TRP A 50 6.077 -9.172 13.420 1.00 0.00 C ATOM 380 C TRP A 50 6.770 -9.615 14.710 1.00 0.00 C ATOM 381 O TRP A 50 6.290 -10.513 15.398 1.00 0.00 O ATOM 382 CB TRP A 50 5.439 -10.333 12.655 1.00 0.00 C ATOM 383 CG TRP A 50 5.184 -10.038 11.174 1.00 0.00 C ATOM 384 CD1 TRP A 50 6.079 -9.709 10.234 1.00 0.00 C ATOM 385 CD2 TRP A 50 3.908 -10.059 10.501 1.00 0.00 C ATOM 386 NE1 TRP A 50 5.476 -9.516 9.007 1.00 0.00 N ATOM 387 CE2 TRP A 50 4.115 -9.738 9.175 1.00 0.00 C ATOM 388 CE3 TRP A 50 2.623 -10.342 10.996 1.00 0.00 C ATOM 389 CZ2 TRP A 50 3.080 -9.668 8.233 1.00 0.00 C ATOM 390 CZ3 TRP A 50 1.601 -10.267 10.042 1.00 0.00 C ATOM 391 CH2 TRP A 50 1.790 -9.944 8.705 1.00 0.00 C ATOM 0 H TRP A 50 7.912 -9.014 12.417 1.00 0.00 H new ATOM 0 HA TRP A 50 5.254 -8.506 13.678 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.086 -11.206 12.735 1.00 0.00 H new ATOM 0 HB3 TRP A 50 4.493 -10.592 13.131 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.139 -9.607 10.413 1.00 0.00 H new ATOM 0 HE1 TRP A 50 5.943 -9.258 8.138 1.00 0.00 H new ATOM 0 HE3 TRP A 50 2.439 -10.597 12.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.266 -9.415 7.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 0.593 -10.475 10.370 1.00 0.00 H new ATOM 0 HH2 TRP A 50 0.946 -9.906 8.032 1.00 0.00 H new ATOM 392 N GLU A 51 7.887 -8.964 14.998 1.00 0.00 N ATOM 393 CA GLU A 51 8.650 -9.281 16.194 1.00 0.00 C ATOM 394 C GLU A 51 9.558 -8.107 16.569 1.00 0.00 C ATOM 395 O GLU A 51 10.072 -7.412 15.695 1.00 0.00 O ATOM 396 CB GLU A 51 9.462 -10.563 16.002 1.00 0.00 C ATOM 397 CG GLU A 51 9.816 -10.774 14.530 1.00 0.00 C ATOM 398 CD GLU A 51 10.967 -11.771 14.379 1.00 0.00 C ATOM 399 OE1 GLU A 51 10.732 -12.987 14.347 1.00 0.00 O ATOM 400 OE2 GLU A 51 12.141 -11.243 14.295 1.00 0.00 O ATOM 0 H GLU A 51 8.282 -8.219 14.425 1.00 0.00 H new ATOM 0 HA GLU A 51 7.952 -9.452 17.013 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.375 -10.511 16.595 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.892 -11.417 16.368 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.942 -11.139 13.991 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.094 -9.821 14.079 1.00 0.00 H new ATOM 401 N LEU A 52 9.727 -7.925 17.870 1.00 0.00 N ATOM 402 CA LEU A 52 10.565 -6.848 18.371 1.00 0.00 C ATOM 403 C LEU A 52 11.400 -7.363 19.545 1.00 0.00 C ATOM 404 O LEU A 52 11.001 -8.302 20.234 1.00 0.00 O ATOM 405 CB LEU A 52 9.714 -5.623 18.715 1.00 0.00 C ATOM 406 CG LEU A 52 9.107 -5.599 20.118 1.00 0.00 C ATOM 407 CD1 LEU A 52 8.863 -4.163 20.586 1.00 0.00 C ATOM 408 CD2 LEU A 52 7.834 -6.445 20.179 1.00 0.00 C ATOM 0 H LEU A 52 9.299 -8.504 18.592 1.00 0.00 H new ATOM 0 HA LEU A 52 11.263 -6.518 17.601 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.330 -4.732 18.592 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.904 -5.553 17.989 1.00 0.00 H new ATOM 0 HG LEU A 52 9.824 -6.045 20.807 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.431 -4.175 21.587 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.809 -3.621 20.605 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.175 -3.669 19.900 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.422 -6.411 21.188 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.101 -6.051 19.475 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.070 -7.477 19.918 1.00 0.00 H new ATOM 409 N ARG A 53 12.547 -6.727 19.738 1.00 0.00 N ATOM 410 CA ARG A 53 13.443 -7.108 20.817 1.00 0.00 C ATOM 411 C ARG A 53 13.843 -5.879 21.634 1.00 0.00 C ATOM 412 O ARG A 53 13.042 -5.352 22.403 1.00 0.00 O ATOM 413 CB ARG A 53 14.703 -7.785 20.271 1.00 0.00 C ATOM 414 CG ARG A 53 14.391 -9.187 19.746 1.00 0.00 C ATOM 415 CD ARG A 53 15.648 -9.857 19.192 1.00 0.00 C ATOM 416 NE ARG A 53 16.020 -9.246 17.898 1.00 0.00 N ATOM 417 CZ ARG A 53 15.645 -9.733 16.695 1.00 0.00 C ATOM 418 NH1 ARG A 53 16.417 -10.621 16.096 1.00 0.00 N ATOM 419 NH2 ARG A 53 14.500 -9.319 16.115 1.00 0.00 N ATOM 420 OXT ARG A 53 15.054 -5.471 21.446 1.00 0.00 O ATOM 0 H ARG A 53 12.876 -5.950 19.165 1.00 0.00 H new ATOM 0 HA ARG A 53 12.913 -7.814 21.456 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.127 -7.179 19.470 1.00 0.00 H new ATOM 0 HB3 ARG A 53 15.456 -7.847 21.057 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.974 -9.795 20.549 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.633 -9.126 18.965 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.468 -9.752 19.902 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.473 -10.925 19.062 1.00 0.00 H new ATOM 0 HE ARG A 53 16.596 -8.404 17.915 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.281 -10.929 16.542 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.149 -10.999 15.187 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.909 -8.633 16.585 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.225 -9.692 15.206 1.00 0.00 H new TER 421 ARG A 53