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 14 CYS SG : rot -21:sc= -26.4! USER MOD Set 1.2: A 31 CYS SG : rot -95:sc= -28.9! USER MOD Single : A 1 ASN : amide:sc=-0.00518 X(o=-0.0052,f=-0.0052) USER MOD Single : A 1 ASN N :NH3+ -122:sc= 0.0573 (180deg=-0.448) USER MOD Single : A 2 SER OG : rot 28:sc= 0.277 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -41:sc= 0.58 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 167:sc= 0.00576 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -3.77 K(o=-3.8,f=-4.9) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -13.3! C(o=-13!,f=-11!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 170:sc= -1.54! USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0991 USER MOD Single : A 32 ASN : amide:sc= -11.8! C(o=-12!,f=-32!) USER MOD Single : A 37 TYR OH : rot -150:sc= -1.03 USER MOD Single : A 38 SER OG : rot 140:sc= -3.84! USER MOD Single : A 43 GLN : amide:sc= -3.65! C(o=-3.6!,f=-9.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -2.944 15.680 2.090 1.00 0.00 N ATOM 2 CA ASN A 1 -4.190 15.127 2.590 1.00 0.00 C ATOM 3 C ASN A 1 -4.432 13.759 1.946 1.00 0.00 C ATOM 4 O ASN A 1 -3.978 13.506 0.831 1.00 0.00 O ATOM 5 CB ASN A 1 -5.374 16.030 2.238 1.00 0.00 C ATOM 6 CG ASN A 1 -5.292 17.359 2.991 1.00 0.00 C ATOM 7 OD1 ASN A 1 -5.605 17.458 4.167 1.00 0.00 O ATOM 8 ND2 ASN A 1 -4.852 18.373 2.251 1.00 0.00 N ATOM 0 H1 ASN A 1 -2.303 15.869 2.887 1.00 0.00 H new ATOM 0 H2 ASN A 1 -2.498 15.001 1.441 1.00 0.00 H new ATOM 0 H3 ASN A 1 -3.137 16.568 1.583 1.00 0.00 H new ATOM 0 HA ASN A 1 -4.110 15.042 3.674 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -5.387 16.216 1.164 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -6.308 15.525 2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -4.759 19.302 2.662 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -4.607 18.222 1.272 1.00 0.00 H new ATOM 9 N SER A 2 -5.144 12.913 2.676 1.00 0.00 N ATOM 10 CA SER A 2 -5.450 11.580 2.189 1.00 0.00 C ATOM 11 C SER A 2 -6.949 11.458 1.902 1.00 0.00 C ATOM 12 O SER A 2 -7.773 11.636 2.798 1.00 0.00 O ATOM 13 CB SER A 2 -5.017 10.513 3.197 1.00 0.00 C ATOM 14 OG SER A 2 -5.637 10.695 4.468 1.00 0.00 O ATOM 0 H SER A 2 -5.518 13.125 3.601 1.00 0.00 H new ATOM 0 HA SER A 2 -4.894 11.418 1.265 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.268 9.526 2.810 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.934 10.544 3.314 1.00 0.00 H new ATOM 0 HG SER A 2 -6.504 11.137 4.349 1.00 0.00 H new ATOM 15 N TYR A 3 -7.255 11.158 0.648 1.00 0.00 N ATOM 16 CA TYR A 3 -8.638 11.012 0.230 1.00 0.00 C ATOM 17 C TYR A 3 -8.894 9.614 -0.336 1.00 0.00 C ATOM 18 O TYR A 3 -8.054 9.064 -1.046 1.00 0.00 O ATOM 19 CB TYR A 3 -8.857 12.046 -0.876 1.00 0.00 C ATOM 20 CG TYR A 3 -10.180 11.885 -1.627 1.00 0.00 C ATOM 21 CD1 TYR A 3 -11.344 12.399 -1.094 1.00 0.00 C ATOM 22 CD2 TYR A 3 -10.210 11.222 -2.838 1.00 0.00 C ATOM 23 CE1 TYR A 3 -12.589 12.247 -1.800 1.00 0.00 C ATOM 24 CE2 TYR A 3 -11.454 11.069 -3.545 1.00 0.00 C ATOM 25 CZ TYR A 3 -12.582 11.588 -2.991 1.00 0.00 C ATOM 26 OH TYR A 3 -13.758 11.444 -3.659 1.00 0.00 O ATOM 0 H TYR A 3 -6.568 11.012 -0.092 1.00 0.00 H new ATOM 0 HA TYR A 3 -9.312 11.156 1.075 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -8.819 13.044 -0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -8.036 11.979 -1.590 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -11.321 12.916 -0.146 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -9.299 10.818 -3.255 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -13.507 12.646 -1.394 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -11.491 10.554 -4.494 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.602 10.955 -4.494 1.00 0.00 H new ATOM 27 N PRO A 4 -10.091 9.066 0.006 1.00 0.00 N ATOM 28 CA PRO A 4 -10.469 7.742 -0.460 1.00 0.00 C ATOM 29 C PRO A 4 -10.868 7.774 -1.937 1.00 0.00 C ATOM 30 O PRO A 4 -11.919 8.311 -2.288 1.00 0.00 O ATOM 31 CB PRO A 4 -11.606 7.312 0.453 1.00 0.00 C ATOM 32 CG PRO A 4 -12.131 8.588 1.093 1.00 0.00 C ATOM 33 CD PRO A 4 -11.111 9.687 0.844 1.00 0.00 C ATOM 0 HA PRO A 4 -9.646 7.029 -0.412 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.390 6.806 -0.111 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.255 6.611 1.210 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -13.097 8.860 0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.284 8.444 2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.566 10.543 0.345 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.686 10.052 1.779 1.00 0.00 H new ATOM 34 N GLY A 5 -10.009 7.197 -2.762 1.00 0.00 N ATOM 35 CA GLY A 5 -10.260 7.152 -4.194 1.00 0.00 C ATOM 36 C GLY A 5 -9.104 6.475 -4.932 1.00 0.00 C ATOM 37 O GLY A 5 -7.986 6.416 -4.422 1.00 0.00 O ATOM 0 H GLY A 5 -9.138 6.756 -2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.186 6.611 -4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.396 8.164 -4.575 1.00 0.00 H new ATOM 38 N CYS A 6 -9.413 5.978 -6.121 1.00 0.00 N ATOM 39 CA CYS A 6 -8.415 5.305 -6.934 1.00 0.00 C ATOM 40 C CYS A 6 -9.130 4.608 -8.094 1.00 0.00 C ATOM 41 O CYS A 6 -9.968 3.735 -7.875 1.00 0.00 O ATOM 42 CB CYS A 6 -7.577 4.326 -6.107 1.00 0.00 C ATOM 43 SG CYS A 6 -8.548 3.178 -5.065 1.00 0.00 S ATOM 0 H CYS A 6 -10.341 6.028 -6.541 1.00 0.00 H new ATOM 0 HA CYS A 6 -7.711 6.037 -7.330 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.953 3.742 -6.783 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.905 4.896 -5.466 1.00 0.00 H new ATOM 44 N PRO A 7 -8.763 5.031 -9.334 1.00 0.00 N ATOM 45 CA PRO A 7 -9.360 4.457 -10.526 1.00 0.00 C ATOM 46 C PRO A 7 -8.801 3.060 -10.802 1.00 0.00 C ATOM 47 O PRO A 7 -8.014 2.537 -10.014 1.00 0.00 O ATOM 48 CB PRO A 7 -9.050 5.449 -11.637 1.00 0.00 C ATOM 49 CG PRO A 7 -7.903 6.304 -11.125 1.00 0.00 C ATOM 50 CD PRO A 7 -7.775 6.065 -9.629 1.00 0.00 C ATOM 0 HA PRO A 7 -10.436 4.310 -10.428 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -8.772 4.932 -12.556 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -9.921 6.062 -11.867 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.975 6.043 -11.634 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.092 7.358 -11.328 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.769 5.739 -9.365 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.974 6.976 -9.064 1.00 0.00 H new ATOM 51 N SER A 8 -9.229 2.496 -11.921 1.00 0.00 N ATOM 52 CA SER A 8 -8.782 1.168 -12.309 1.00 0.00 C ATOM 53 C SER A 8 -7.468 1.267 -13.086 1.00 0.00 C ATOM 54 O SER A 8 -7.046 0.301 -13.722 1.00 0.00 O ATOM 55 CB SER A 8 -9.843 0.453 -13.146 1.00 0.00 C ATOM 56 OG SER A 8 -9.506 -0.912 -13.383 1.00 0.00 O ATOM 0 H SER A 8 -9.881 2.934 -12.572 1.00 0.00 H new ATOM 0 HA SER A 8 -8.619 0.582 -11.404 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.804 0.506 -12.635 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.961 0.968 -14.099 1.00 0.00 H new ATOM 0 HG SER A 8 -8.549 -0.983 -13.584 1.00 0.00 H new ATOM 57 N SER A 9 -6.860 2.442 -13.013 1.00 0.00 N ATOM 58 CA SER A 9 -5.603 2.676 -13.703 1.00 0.00 C ATOM 59 C SER A 9 -4.472 1.918 -13.006 1.00 0.00 C ATOM 60 O SER A 9 -3.563 1.413 -13.662 1.00 0.00 O ATOM 61 CB SER A 9 -5.279 4.172 -13.764 1.00 0.00 C ATOM 62 OG SER A 9 -4.113 4.434 -14.537 1.00 0.00 O ATOM 0 H SER A 9 -7.214 3.241 -12.487 1.00 0.00 H new ATOM 0 HA SER A 9 -5.701 2.309 -14.725 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.126 4.709 -14.192 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.137 4.554 -12.753 1.00 0.00 H new ATOM 0 HG SER A 9 -3.941 5.399 -14.553 1.00 0.00 H new ATOM 63 N TYR A 10 -4.566 1.861 -11.686 1.00 0.00 N ATOM 64 CA TYR A 10 -3.563 1.172 -10.892 1.00 0.00 C ATOM 65 C TYR A 10 -4.037 -0.230 -10.508 1.00 0.00 C ATOM 66 O TYR A 10 -3.263 -1.027 -9.976 1.00 0.00 O ATOM 67 CB TYR A 10 -3.385 2.003 -9.621 1.00 0.00 C ATOM 68 CG TYR A 10 -3.043 3.473 -9.880 1.00 0.00 C ATOM 69 CD1 TYR A 10 -1.782 3.821 -10.315 1.00 0.00 C ATOM 70 CD2 TYR A 10 -3.998 4.449 -9.681 1.00 0.00 C ATOM 71 CE1 TYR A 10 -1.459 5.203 -10.560 1.00 0.00 C ATOM 72 CE2 TYR A 10 -3.678 5.830 -9.925 1.00 0.00 C ATOM 73 CZ TYR A 10 -2.423 6.140 -10.353 1.00 0.00 C ATOM 74 OH TYR A 10 -2.119 7.445 -10.584 1.00 0.00 O ATOM 0 H TYR A 10 -5.322 2.281 -11.146 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.635 1.066 -11.455 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.302 1.952 -9.035 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.595 1.558 -9.016 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.036 3.056 -10.472 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.986 4.176 -9.342 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.475 5.489 -10.900 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.416 6.603 -9.772 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.943 7.975 -10.599 1.00 0.00 H new ATOM 75 N ASP A 11 -5.304 -0.491 -10.791 1.00 0.00 N ATOM 76 CA ASP A 11 -5.891 -1.785 -10.481 1.00 0.00 C ATOM 77 C ASP A 11 -5.861 -2.003 -8.966 1.00 0.00 C ATOM 78 O ASP A 11 -5.320 -2.998 -8.489 1.00 0.00 O ATOM 79 CB ASP A 11 -5.101 -2.919 -11.137 1.00 0.00 C ATOM 80 CG ASP A 11 -5.788 -4.285 -11.110 1.00 0.00 C ATOM 81 OD1 ASP A 11 -6.634 -4.489 -12.064 1.00 0.00 O ATOM 82 OD2 ASP A 11 -5.530 -5.112 -10.224 1.00 0.00 O ATOM 0 H ASP A 11 -5.942 0.172 -11.232 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.913 -1.792 -10.859 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.901 -2.650 -12.174 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.135 -3.005 -10.638 1.00 0.00 H new ATOM 83 N GLY A 12 -6.451 -1.055 -8.253 1.00 0.00 N ATOM 84 CA GLY A 12 -6.500 -1.131 -6.803 1.00 0.00 C ATOM 85 C GLY A 12 -5.262 -0.483 -6.178 1.00 0.00 C ATOM 86 O GLY A 12 -5.336 0.075 -5.085 1.00 0.00 O ATOM 0 H GLY A 12 -6.899 -0.230 -8.652 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.399 -0.633 -6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.566 -2.174 -6.492 1.00 0.00 H new ATOM 87 N TYR A 13 -4.154 -0.582 -6.899 1.00 0.00 N ATOM 88 CA TYR A 13 -2.903 -0.014 -6.427 1.00 0.00 C ATOM 89 C TYR A 13 -2.501 -0.613 -5.080 1.00 0.00 C ATOM 90 O TYR A 13 -1.616 -0.092 -4.404 1.00 0.00 O ATOM 91 CB TYR A 13 -3.160 1.484 -6.250 1.00 0.00 C ATOM 92 CG TYR A 13 -1.995 2.373 -6.689 1.00 0.00 C ATOM 93 CD1 TYR A 13 -0.695 1.966 -6.464 1.00 0.00 C ATOM 94 CD2 TYR A 13 -2.243 3.580 -7.310 1.00 0.00 C ATOM 95 CE1 TYR A 13 0.402 2.801 -6.877 1.00 0.00 C ATOM 96 CE2 TYR A 13 -1.146 4.415 -7.723 1.00 0.00 C ATOM 97 CZ TYR A 13 0.122 3.985 -7.486 1.00 0.00 C ATOM 98 OH TYR A 13 1.159 4.776 -7.875 1.00 0.00 O ATOM 0 H TYR A 13 -4.097 -1.047 -7.805 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.099 -0.220 -7.133 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.048 1.759 -6.819 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.380 1.683 -5.201 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.501 1.021 -5.978 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.260 3.898 -7.486 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.424 2.495 -6.707 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.326 5.362 -8.210 1.00 0.00 H new ATOM 0 HH TYR A 13 0.810 5.589 -8.297 1.00 0.00 H new ATOM 99 N CYS A 14 -3.172 -1.700 -4.728 1.00 0.00 N ATOM 100 CA CYS A 14 -2.895 -2.376 -3.472 1.00 0.00 C ATOM 101 C CYS A 14 -2.866 -3.884 -3.733 1.00 0.00 C ATOM 102 O CYS A 14 -3.856 -4.458 -4.188 1.00 0.00 O ATOM 103 CB CYS A 14 -3.914 -2.003 -2.393 1.00 0.00 C ATOM 104 SG CYS A 14 -4.503 -0.272 -2.458 1.00 0.00 S ATOM 0 H CYS A 14 -3.907 -2.129 -5.291 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.925 -2.056 -3.090 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.773 -2.668 -2.480 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.469 -2.184 -1.415 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.643 0.455 -3.108 1.00 0.00 H new ATOM 105 N LEU A 15 -1.722 -4.482 -3.434 1.00 0.00 N ATOM 106 CA LEU A 15 -1.550 -5.911 -3.633 1.00 0.00 C ATOM 107 C LEU A 15 -1.240 -6.572 -2.288 1.00 0.00 C ATOM 108 O LEU A 15 -1.103 -5.892 -1.275 1.00 0.00 O ATOM 109 CB LEU A 15 -0.500 -6.182 -4.710 1.00 0.00 C ATOM 110 CG LEU A 15 -1.003 -6.171 -6.155 1.00 0.00 C ATOM 111 CD1 LEU A 15 -1.294 -7.592 -6.643 1.00 0.00 C ATOM 112 CD2 LEU A 15 -2.216 -5.251 -6.307 1.00 0.00 C ATOM 0 H LEU A 15 -0.905 -4.003 -3.055 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.472 -6.358 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.290 -5.436 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.047 -7.153 -4.511 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.214 -5.768 -6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.650 -7.557 -7.673 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.382 -8.187 -6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.057 -8.045 -6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.553 -5.262 -7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.021 -5.600 -5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.939 -4.235 -6.026 1.00 0.00 H new ATOM 113 N ASN A 16 -1.134 -7.893 -2.327 1.00 0.00 N ATOM 114 CA ASN A 16 -0.841 -8.655 -1.125 1.00 0.00 C ATOM 115 C ASN A 16 -2.006 -8.521 -0.142 1.00 0.00 C ATOM 116 O ASN A 16 -2.626 -9.516 0.231 1.00 0.00 O ATOM 117 CB ASN A 16 0.421 -8.132 -0.436 1.00 0.00 C ATOM 118 CG ASN A 16 1.671 -8.475 -1.245 1.00 0.00 C ATOM 119 OD1 ASN A 16 2.077 -9.621 -1.354 1.00 0.00 O ATOM 120 ND2 ASN A 16 2.258 -7.422 -1.809 1.00 0.00 N ATOM 0 H ASN A 16 -1.246 -8.454 -3.171 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.690 -9.695 -1.414 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.350 -7.052 -0.311 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.500 -8.564 0.562 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.099 -7.548 -2.372 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.867 -6.489 -1.678 1.00 0.00 H new ATOM 121 N GLY A 17 -2.271 -7.283 0.246 1.00 0.00 N ATOM 122 CA GLY A 17 -3.351 -7.005 1.177 1.00 0.00 C ATOM 123 C GLY A 17 -3.250 -5.581 1.726 1.00 0.00 C ATOM 124 O GLY A 17 -2.822 -5.377 2.861 1.00 0.00 O ATOM 0 H GLY A 17 -1.756 -6.460 -0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.310 -7.138 0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.319 -7.719 2.000 1.00 0.00 H new ATOM 125 N GLY A 18 -3.651 -4.629 0.895 1.00 0.00 N ATOM 126 CA GLY A 18 -3.610 -3.229 1.283 1.00 0.00 C ATOM 127 C GLY A 18 -4.871 -2.495 0.820 1.00 0.00 C ATOM 128 O GLY A 18 -5.529 -2.922 -0.127 1.00 0.00 O ATOM 0 H GLY A 18 -4.006 -4.800 -0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.516 -3.151 2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.729 -2.754 0.851 1.00 0.00 H new ATOM 129 N VAL A 19 -5.168 -1.405 1.511 1.00 0.00 N ATOM 130 CA VAL A 19 -6.337 -0.606 1.183 1.00 0.00 C ATOM 131 C VAL A 19 -5.940 0.487 0.189 1.00 0.00 C ATOM 132 O VAL A 19 -4.767 0.842 0.087 1.00 0.00 O ATOM 133 CB VAL A 19 -6.968 -0.053 2.462 1.00 0.00 C ATOM 134 CG1 VAL A 19 -8.445 0.280 2.245 1.00 0.00 C ATOM 135 CG2 VAL A 19 -6.791 -1.029 3.628 1.00 0.00 C ATOM 0 H VAL A 19 -4.620 -1.056 2.297 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.098 -1.221 0.702 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.450 0.871 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.869 0.671 3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.537 1.029 1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.982 -0.622 1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.249 -0.611 4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.270 -1.977 3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.728 -1.194 3.806 1.00 0.00 H new ATOM 136 N CYS A 20 -6.941 0.992 -0.518 1.00 0.00 N ATOM 137 CA CYS A 20 -6.713 2.038 -1.499 1.00 0.00 C ATOM 138 C CYS A 20 -6.867 3.392 -0.803 1.00 0.00 C ATOM 139 O CYS A 20 -7.735 3.557 0.054 1.00 0.00 O ATOM 140 CB CYS A 20 -7.650 1.903 -2.699 1.00 0.00 C ATOM 141 SG CYS A 20 -6.893 2.308 -4.315 1.00 0.00 S ATOM 0 H CYS A 20 -7.913 0.695 -0.430 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.703 1.950 -1.900 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.025 0.880 -2.736 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.511 2.553 -2.544 1.00 0.00 H new ATOM 142 N MET A 21 -6.013 4.325 -1.195 1.00 0.00 N ATOM 143 CA MET A 21 -6.044 5.660 -0.621 1.00 0.00 C ATOM 144 C MET A 21 -5.429 6.683 -1.575 1.00 0.00 C ATOM 145 O MET A 21 -4.313 6.492 -2.062 1.00 0.00 O ATOM 146 CB MET A 21 -5.273 5.663 0.701 1.00 0.00 C ATOM 147 CG MET A 21 -5.962 6.553 1.736 1.00 0.00 C ATOM 148 SD MET A 21 -7.339 5.685 2.468 1.00 0.00 S ATOM 149 CE MET A 21 -7.977 6.960 3.541 1.00 0.00 C ATOM 0 H MET A 21 -5.294 4.183 -1.904 1.00 0.00 H new ATOM 0 HA MET A 21 -7.084 5.937 -0.447 1.00 0.00 H new ATOM 0 HB2 MET A 21 -5.197 4.645 1.084 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.256 6.016 0.532 1.00 0.00 H new ATOM 0 HG2 MET A 21 -5.251 6.842 2.510 1.00 0.00 H new ATOM 0 HG3 MET A 21 -6.310 7.472 1.264 1.00 0.00 H new ATOM 0 HE1 MET A 21 -8.847 6.582 4.078 1.00 0.00 H new ATOM 0 HE2 MET A 21 -7.208 7.252 4.256 1.00 0.00 H new ATOM 0 HE3 MET A 21 -8.266 7.826 2.945 1.00 0.00 H new ATOM 150 N HIS A 22 -6.180 7.747 -1.816 1.00 0.00 N ATOM 151 CA HIS A 22 -5.721 8.801 -2.705 1.00 0.00 C ATOM 152 C HIS A 22 -5.055 9.909 -1.888 1.00 0.00 C ATOM 153 O HIS A 22 -5.429 10.149 -0.740 1.00 0.00 O ATOM 154 CB HIS A 22 -6.869 9.317 -3.576 1.00 0.00 C ATOM 155 CG HIS A 22 -6.432 10.247 -4.681 1.00 0.00 C ATOM 156 ND1 HIS A 22 -7.125 11.401 -5.008 1.00 0.00 N ATOM 157 CD2 HIS A 22 -5.367 10.184 -5.530 1.00 0.00 C ATOM 158 CE1 HIS A 22 -6.495 11.996 -6.011 1.00 0.00 C ATOM 159 NE2 HIS A 22 -5.407 11.240 -6.335 1.00 0.00 N ATOM 0 H HIS A 22 -7.103 7.902 -1.411 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.973 8.402 -3.390 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.388 8.466 -4.016 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.588 9.836 -2.942 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.617 9.407 -5.545 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.791 12.918 -6.488 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.735 11.451 -7.073 1.00 0.00 H new ATOM 160 N ILE A 23 -4.077 10.554 -2.508 1.00 0.00 N ATOM 161 CA ILE A 23 -3.355 11.630 -1.851 1.00 0.00 C ATOM 162 C ILE A 23 -3.687 12.956 -2.541 1.00 0.00 C ATOM 163 O ILE A 23 -4.247 12.967 -3.635 1.00 0.00 O ATOM 164 CB ILE A 23 -1.859 11.320 -1.803 1.00 0.00 C ATOM 165 CG1 ILE A 23 -1.597 9.836 -2.078 1.00 0.00 C ATOM 166 CG2 ILE A 23 -1.246 11.773 -0.477 1.00 0.00 C ATOM 167 CD1 ILE A 23 -0.097 9.558 -2.199 1.00 0.00 C ATOM 0 H ILE A 23 -3.768 10.352 -3.459 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.671 11.722 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.368 11.887 -2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.019 9.233 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.101 9.538 -2.997 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.181 11.540 -0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.383 12.848 -0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.736 11.254 0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.062 8.497 -2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.317 10.144 -3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.400 9.834 -1.269 1.00 0.00 H new ATOM 168 N GLU A 24 -3.327 14.040 -1.870 1.00 0.00 N ATOM 169 CA GLU A 24 -3.580 15.369 -2.405 1.00 0.00 C ATOM 170 C GLU A 24 -2.260 16.100 -2.650 1.00 0.00 C ATOM 171 O GLU A 24 -1.185 15.542 -2.431 1.00 0.00 O ATOM 172 CB GLU A 24 -4.485 16.171 -1.469 1.00 0.00 C ATOM 173 CG GLU A 24 -5.957 15.824 -1.700 1.00 0.00 C ATOM 174 CD GLU A 24 -6.875 16.820 -0.986 1.00 0.00 C ATOM 175 OE1 GLU A 24 -7.136 17.893 -1.652 1.00 0.00 O ATOM 176 OE2 GLU A 24 -7.304 16.563 0.148 1.00 0.00 O ATOM 0 H GLU A 24 -2.863 14.026 -0.962 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.098 15.265 -3.358 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.217 15.964 -0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.329 17.237 -1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.172 15.828 -2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.158 14.816 -1.338 1.00 0.00 H new ATOM 177 N SER A 25 -2.383 17.338 -3.105 1.00 0.00 N ATOM 178 CA SER A 25 -1.212 18.154 -3.384 1.00 0.00 C ATOM 179 C SER A 25 -0.746 17.923 -4.824 1.00 0.00 C ATOM 180 O SER A 25 -0.183 18.820 -5.448 1.00 0.00 O ATOM 181 CB SER A 25 -0.078 17.845 -2.404 1.00 0.00 C ATOM 182 OG SER A 25 0.831 18.933 -2.280 1.00 0.00 O ATOM 0 H SER A 25 -3.276 17.797 -3.288 1.00 0.00 H new ATOM 0 HA SER A 25 -1.487 19.201 -3.260 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.498 17.610 -1.426 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.461 16.959 -2.741 1.00 0.00 H new ATOM 0 HG SER A 25 1.539 18.697 -1.645 1.00 0.00 H new ATOM 183 N LEU A 26 -0.999 16.717 -5.307 1.00 0.00 N ATOM 184 CA LEU A 26 -0.612 16.356 -6.661 1.00 0.00 C ATOM 185 C LEU A 26 -1.567 15.287 -7.194 1.00 0.00 C ATOM 186 O LEU A 26 -1.255 14.597 -8.162 1.00 0.00 O ATOM 187 CB LEU A 26 0.861 15.943 -6.706 1.00 0.00 C ATOM 188 CG LEU A 26 1.779 16.828 -7.551 1.00 0.00 C ATOM 189 CD1 LEU A 26 3.236 16.690 -7.102 1.00 0.00 C ATOM 190 CD2 LEU A 26 1.609 16.529 -9.042 1.00 0.00 C ATOM 0 H LEU A 26 -1.467 15.976 -4.786 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.698 17.218 -7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.244 15.925 -5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.921 14.923 -7.087 1.00 0.00 H new ATOM 0 HG LEU A 26 1.490 17.867 -7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.869 17.329 -7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.325 16.990 -6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.553 15.653 -7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.273 17.172 -9.620 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.857 15.485 -9.234 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.576 16.717 -9.335 1.00 0.00 H new ATOM 191 N ASP A 27 -2.713 15.182 -6.536 1.00 0.00 N ATOM 192 CA ASP A 27 -3.716 14.209 -6.930 1.00 0.00 C ATOM 193 C ASP A 27 -3.052 12.841 -7.107 1.00 0.00 C ATOM 194 O ASP A 27 -3.400 12.090 -8.016 1.00 0.00 O ATOM 195 CB ASP A 27 -4.365 14.594 -8.261 1.00 0.00 C ATOM 196 CG ASP A 27 -5.413 15.704 -8.172 1.00 0.00 C ATOM 197 OD1 ASP A 27 -6.599 15.311 -7.852 1.00 0.00 O ATOM 198 OD2 ASP A 27 -5.111 16.888 -8.397 1.00 0.00 O ATOM 0 H ASP A 27 -2.968 15.756 -5.732 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.479 14.178 -6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.583 14.908 -8.952 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.832 13.708 -8.690 1.00 0.00 H new ATOM 199 N SER A 28 -2.106 12.559 -6.222 1.00 0.00 N ATOM 200 CA SER A 28 -1.390 11.296 -6.267 1.00 0.00 C ATOM 201 C SER A 28 -2.192 10.214 -5.542 1.00 0.00 C ATOM 202 O SER A 28 -2.999 10.517 -4.665 1.00 0.00 O ATOM 203 CB SER A 28 0.003 11.430 -5.650 1.00 0.00 C ATOM 204 OG SER A 28 0.494 10.182 -5.166 1.00 0.00 O ATOM 0 H SER A 28 -1.819 13.185 -5.469 1.00 0.00 H new ATOM 0 HA SER A 28 -1.268 11.009 -7.311 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.693 11.827 -6.395 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.031 12.149 -4.831 1.00 0.00 H new ATOM 0 HG SER A 28 1.440 10.273 -4.928 1.00 0.00 H new ATOM 205 N TYR A 29 -1.942 8.974 -5.936 1.00 0.00 N ATOM 206 CA TYR A 29 -2.630 7.845 -5.334 1.00 0.00 C ATOM 207 C TYR A 29 -1.651 6.947 -4.574 1.00 0.00 C ATOM 208 O TYR A 29 -0.510 6.769 -4.998 1.00 0.00 O ATOM 209 CB TYR A 29 -3.235 7.052 -6.495 1.00 0.00 C ATOM 210 CG TYR A 29 -4.444 7.726 -7.147 1.00 0.00 C ATOM 211 CD1 TYR A 29 -5.696 7.594 -6.582 1.00 0.00 C ATOM 212 CD2 TYR A 29 -4.281 8.468 -8.299 1.00 0.00 C ATOM 213 CE1 TYR A 29 -6.833 8.229 -7.197 1.00 0.00 C ATOM 214 CE2 TYR A 29 -5.419 9.103 -8.914 1.00 0.00 C ATOM 215 CZ TYR A 29 -6.639 8.952 -8.331 1.00 0.00 C ATOM 216 OH TYR A 29 -7.712 9.553 -8.910 1.00 0.00 O ATOM 0 H TYR A 29 -1.273 8.726 -6.665 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.383 8.189 -4.625 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.467 6.895 -7.253 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.532 6.068 -6.133 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.823 7.015 -5.679 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.301 8.573 -8.740 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.819 8.133 -6.766 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.306 9.685 -9.817 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.423 10.036 -9.712 1.00 0.00 H new ATOM 217 N THR A 30 -2.133 6.406 -3.465 1.00 0.00 N ATOM 218 CA THR A 30 -1.314 5.532 -2.642 1.00 0.00 C ATOM 219 C THR A 30 -2.119 4.307 -2.202 1.00 0.00 C ATOM 220 O THR A 30 -3.271 4.140 -2.600 1.00 0.00 O ATOM 221 CB THR A 30 -0.771 6.356 -1.473 1.00 0.00 C ATOM 222 OG1 THR A 30 0.000 5.423 -0.721 1.00 0.00 O ATOM 223 CG2 THR A 30 -1.872 6.795 -0.506 1.00 0.00 C ATOM 0 H THR A 30 -3.080 6.556 -3.117 1.00 0.00 H new ATOM 0 HA THR A 30 -0.465 5.140 -3.203 1.00 0.00 H new ATOM 0 HB THR A 30 -0.253 7.235 -1.857 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.391 5.873 0.056 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.433 7.376 0.305 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.601 7.407 -1.038 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.367 5.915 -0.095 1.00 0.00 H new ATOM 224 N CYS A 31 -1.481 3.483 -1.385 1.00 0.00 N ATOM 225 CA CYS A 31 -2.121 2.278 -0.885 1.00 0.00 C ATOM 226 C CYS A 31 -1.446 1.883 0.428 1.00 0.00 C ATOM 227 O CYS A 31 -0.232 1.690 0.473 1.00 0.00 O ATOM 228 CB CYS A 31 -2.078 1.146 -1.914 1.00 0.00 C ATOM 229 SG CYS A 31 -3.664 0.818 -2.764 1.00 0.00 S ATOM 0 H CYS A 31 -0.526 3.626 -1.056 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.178 2.474 -0.702 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.323 1.384 -2.663 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.754 0.233 -1.415 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.289 -0.148 -2.159 1.00 0.00 H new ATOM 230 N ASN A 32 -2.262 1.774 1.467 1.00 0.00 N ATOM 231 CA ASN A 32 -1.757 1.407 2.780 1.00 0.00 C ATOM 232 C ASN A 32 -1.505 -0.103 2.819 1.00 0.00 C ATOM 233 O ASN A 32 -2.449 -0.893 2.825 1.00 0.00 O ATOM 234 CB ASN A 32 -2.770 1.746 3.875 1.00 0.00 C ATOM 235 CG ASN A 32 -4.167 1.239 3.506 1.00 0.00 C ATOM 236 OD1 ASN A 32 -4.409 0.750 2.415 1.00 0.00 O ATOM 237 ND2 ASN A 32 -5.067 1.384 4.474 1.00 0.00 N ATOM 0 H ASN A 32 -3.269 1.933 1.426 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.837 1.964 2.956 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.455 1.300 4.818 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.799 2.825 4.027 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -6.029 1.077 4.327 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.796 1.802 5.364 1.00 0.00 H new ATOM 238 N CYS A 33 -0.231 -0.457 2.844 1.00 0.00 N ATOM 239 CA CYS A 33 0.157 -1.858 2.883 1.00 0.00 C ATOM 240 C CYS A 33 -0.015 -2.363 4.318 1.00 0.00 C ATOM 241 O CYS A 33 -0.929 -1.942 5.023 1.00 0.00 O ATOM 242 CB CYS A 33 1.584 -2.064 2.373 1.00 0.00 C ATOM 243 SG CYS A 33 1.990 -1.148 0.842 1.00 0.00 S ATOM 0 H CYS A 33 0.548 0.201 2.838 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.484 -2.435 2.216 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.281 -1.764 3.155 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.742 -3.128 2.196 1.00 0.00 H new ATOM 244 N VAL A 34 0.880 -3.261 4.705 1.00 0.00 N ATOM 245 CA VAL A 34 0.840 -3.829 6.042 1.00 0.00 C ATOM 246 C VAL A 34 2.268 -4.068 6.534 1.00 0.00 C ATOM 247 O VAL A 34 3.230 -3.764 5.828 1.00 0.00 O ATOM 248 CB VAL A 34 -0.014 -5.098 6.045 1.00 0.00 C ATOM 249 CG1 VAL A 34 -0.792 -5.238 4.736 1.00 0.00 C ATOM 250 CG2 VAL A 34 0.845 -6.336 6.307 1.00 0.00 C ATOM 0 H VAL A 34 1.637 -3.609 4.116 1.00 0.00 H new ATOM 0 HA VAL A 34 0.370 -3.134 6.738 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.737 -5.014 6.857 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.391 -6.148 4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.447 -4.376 4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.093 -5.289 3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.213 -7.224 6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.601 -6.426 5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.333 -6.241 7.277 1.00 0.00 H new ATOM 251 N ILE A 35 2.362 -4.609 7.740 1.00 0.00 N ATOM 252 CA ILE A 35 3.658 -4.892 8.333 1.00 0.00 C ATOM 253 C ILE A 35 4.319 -6.045 7.577 1.00 0.00 C ATOM 254 O ILE A 35 3.969 -7.208 7.777 1.00 0.00 O ATOM 255 CB ILE A 35 3.515 -5.146 9.835 1.00 0.00 C ATOM 256 CG1 ILE A 35 2.677 -4.050 10.498 1.00 0.00 C ATOM 257 CG2 ILE A 35 4.884 -5.298 10.499 1.00 0.00 C ATOM 258 CD1 ILE A 35 3.568 -2.947 11.069 1.00 0.00 C ATOM 0 H ILE A 35 1.562 -4.859 8.322 1.00 0.00 H new ATOM 0 HA ILE A 35 4.316 -4.028 8.239 1.00 0.00 H new ATOM 0 HB ILE A 35 2.984 -6.088 9.973 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.987 -3.624 9.769 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.072 -4.482 11.295 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.753 -5.478 11.566 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.414 -6.139 10.052 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.462 -4.386 10.353 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.947 -2.182 11.534 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.240 -3.372 11.815 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.154 -2.500 10.266 1.00 0.00 H new ATOM 259 N GLY A 36 5.266 -5.684 6.721 1.00 0.00 N ATOM 260 CA GLY A 36 5.980 -6.674 5.934 1.00 0.00 C ATOM 261 C GLY A 36 5.722 -6.475 4.440 1.00 0.00 C ATOM 262 O GLY A 36 6.113 -7.308 3.621 1.00 0.00 O ATOM 0 H GLY A 36 5.554 -4.720 6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.049 -6.602 6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.667 -7.675 6.231 1.00 0.00 H new ATOM 263 N TYR A 37 5.063 -5.368 4.127 1.00 0.00 N ATOM 264 CA TYR A 37 4.749 -5.050 2.745 1.00 0.00 C ATOM 265 C TYR A 37 4.719 -3.537 2.524 1.00 0.00 C ATOM 266 O TYR A 37 4.074 -2.808 3.276 1.00 0.00 O ATOM 267 CB TYR A 37 3.351 -5.618 2.490 1.00 0.00 C ATOM 268 CG TYR A 37 3.274 -7.144 2.571 1.00 0.00 C ATOM 269 CD1 TYR A 37 3.363 -7.775 3.795 1.00 0.00 C ATOM 270 CD2 TYR A 37 3.116 -7.889 1.421 1.00 0.00 C ATOM 271 CE1 TYR A 37 3.291 -9.211 3.872 1.00 0.00 C ATOM 272 CE2 TYR A 37 3.045 -9.326 1.498 1.00 0.00 C ATOM 273 CZ TYR A 37 3.136 -9.915 2.719 1.00 0.00 C ATOM 274 OH TYR A 37 3.069 -11.272 2.793 1.00 0.00 O ATOM 0 H TYR A 37 4.738 -4.681 4.807 1.00 0.00 H new ATOM 0 HA TYR A 37 5.500 -5.468 2.074 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.659 -5.191 3.215 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.015 -5.300 1.503 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.487 -7.192 4.695 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.046 -7.395 0.463 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.359 -9.717 4.824 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.922 -9.921 0.605 1.00 0.00 H new ATOM 0 HH TYR A 37 3.428 -11.663 1.969 1.00 0.00 H new ATOM 275 N SER A 38 5.425 -3.108 1.487 1.00 0.00 N ATOM 276 CA SER A 38 5.488 -1.694 1.158 1.00 0.00 C ATOM 277 C SER A 38 5.958 -1.514 -0.288 1.00 0.00 C ATOM 278 O SER A 38 6.489 -2.445 -0.892 1.00 0.00 O ATOM 279 CB SER A 38 6.418 -0.946 2.116 1.00 0.00 C ATOM 280 OG SER A 38 7.779 -1.010 1.698 1.00 0.00 O ATOM 0 H SER A 38 5.958 -3.715 0.864 1.00 0.00 H new ATOM 0 HA SER A 38 4.488 -1.273 1.264 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.108 0.097 2.182 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.326 -1.370 3.116 1.00 0.00 H new ATOM 0 HG SER A 38 8.208 -0.141 1.846 1.00 0.00 H new ATOM 281 N GLY A 39 5.745 -0.311 -0.800 1.00 0.00 N ATOM 282 CA GLY A 39 6.139 0.002 -2.162 1.00 0.00 C ATOM 283 C GLY A 39 5.039 0.779 -2.887 1.00 0.00 C ATOM 284 O GLY A 39 4.669 0.438 -4.010 1.00 0.00 O ATOM 0 H GLY A 39 5.305 0.458 -0.296 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.058 0.589 -2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.355 -0.920 -2.703 1.00 0.00 H new ATOM 285 N ASP A 40 4.545 1.808 -2.216 1.00 0.00 N ATOM 286 CA ASP A 40 3.493 2.637 -2.782 1.00 0.00 C ATOM 287 C ASP A 40 2.514 1.751 -3.557 1.00 0.00 C ATOM 288 O ASP A 40 2.032 2.139 -4.621 1.00 0.00 O ATOM 289 CB ASP A 40 4.068 3.670 -3.753 1.00 0.00 C ATOM 290 CG ASP A 40 4.745 3.085 -4.995 1.00 0.00 C ATOM 291 OD1 ASP A 40 5.948 2.782 -4.984 1.00 0.00 O ATOM 292 OD2 ASP A 40 3.973 2.938 -6.018 1.00 0.00 O ATOM 0 H ASP A 40 4.853 2.088 -1.285 1.00 0.00 H new ATOM 0 HA ASP A 40 2.992 3.153 -1.963 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.263 4.332 -4.074 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.792 4.285 -3.219 1.00 0.00 H new ATOM 293 N ARG A 41 2.252 0.581 -2.994 1.00 0.00 N ATOM 294 CA ARG A 41 1.340 -0.361 -3.619 1.00 0.00 C ATOM 295 C ARG A 41 1.272 -1.653 -2.804 1.00 0.00 C ATOM 296 O ARG A 41 0.257 -2.349 -2.822 1.00 0.00 O ATOM 297 CB ARG A 41 1.782 -0.691 -5.047 1.00 0.00 C ATOM 298 CG ARG A 41 0.761 -1.594 -5.741 1.00 0.00 C ATOM 299 CD ARG A 41 0.551 -1.168 -7.196 1.00 0.00 C ATOM 300 NE ARG A 41 1.630 -1.720 -8.046 1.00 0.00 N ATOM 301 CZ ARG A 41 2.409 -0.976 -8.858 1.00 0.00 C ATOM 302 NH1 ARG A 41 3.492 -0.335 -8.370 1.00 0.00 N ATOM 303 NH2 ARG A 41 2.097 -0.884 -10.137 1.00 0.00 N ATOM 0 H ARG A 41 2.655 0.264 -2.112 1.00 0.00 H new ATOM 0 HA ARG A 41 0.355 0.104 -3.653 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.904 0.231 -5.616 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.754 -1.184 -5.026 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.103 -2.628 -5.707 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.188 -1.554 -5.206 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.418 -1.520 -7.550 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.541 -0.080 -7.267 1.00 0.00 H new ATOM 0 HE ARG A 41 1.795 -2.726 -8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.727 -0.411 -7.380 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.076 0.225 -8.991 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.277 -1.371 -10.498 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.676 -0.325 -10.764 1.00 0.00 H new ATOM 304 N CYS A 42 2.363 -1.935 -2.106 1.00 0.00 N ATOM 305 CA CYS A 42 2.438 -3.130 -1.285 1.00 0.00 C ATOM 306 C CYS A 42 2.795 -4.313 -2.189 1.00 0.00 C ATOM 307 O CYS A 42 1.923 -5.091 -2.573 1.00 0.00 O ATOM 308 CB CYS A 42 1.138 -3.373 -0.516 1.00 0.00 C ATOM 309 SG CYS A 42 0.205 -1.856 -0.090 1.00 0.00 S ATOM 0 H CYS A 42 3.202 -1.355 -2.093 1.00 0.00 H new ATOM 0 HA CYS A 42 3.212 -3.004 -0.528 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.496 -4.023 -1.111 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.371 -3.910 0.403 1.00 0.00 H new ATOM 310 N GLN A 43 4.079 -4.410 -2.504 1.00 0.00 N ATOM 311 CA GLN A 43 4.561 -5.483 -3.355 1.00 0.00 C ATOM 312 C GLN A 43 5.831 -6.099 -2.766 1.00 0.00 C ATOM 313 O GLN A 43 6.027 -7.312 -2.833 1.00 0.00 O ATOM 314 CB GLN A 43 4.805 -4.984 -4.782 1.00 0.00 C ATOM 315 CG GLN A 43 3.524 -4.418 -5.391 1.00 0.00 C ATOM 316 CD GLN A 43 3.836 -3.293 -6.380 1.00 0.00 C ATOM 317 OE1 GLN A 43 3.456 -3.325 -7.539 1.00 0.00 O ATOM 318 NE2 GLN A 43 4.550 -2.296 -5.859 1.00 0.00 N ATOM 0 H GLN A 43 4.799 -3.763 -2.185 1.00 0.00 H new ATOM 0 HA GLN A 43 3.794 -6.256 -3.401 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.579 -4.216 -4.775 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.174 -5.803 -5.399 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.977 -5.212 -5.899 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.876 -4.041 -4.599 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.837 -2.331 -4.881 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.810 -1.498 -6.438 1.00 0.00 H new ATOM 319 N THR A 44 6.659 -5.236 -2.197 1.00 0.00 N ATOM 320 CA THR A 44 7.906 -5.680 -1.594 1.00 0.00 C ATOM 321 C THR A 44 7.646 -6.271 -0.208 1.00 0.00 C ATOM 322 O THR A 44 7.168 -5.577 0.688 1.00 0.00 O ATOM 323 CB THR A 44 8.873 -4.495 -1.579 1.00 0.00 C ATOM 324 OG1 THR A 44 8.799 -3.968 -2.900 1.00 0.00 O ATOM 325 CG2 THR A 44 10.331 -4.931 -1.434 1.00 0.00 C ATOM 0 H THR A 44 6.492 -4.231 -2.140 1.00 0.00 H new ATOM 0 HA THR A 44 8.363 -6.482 -2.174 1.00 0.00 H new ATOM 0 HB THR A 44 8.611 -3.825 -0.760 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.395 -3.194 -2.977 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.975 -4.052 -1.429 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.456 -5.478 -0.499 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.603 -5.575 -2.270 1.00 0.00 H new ATOM 326 N ARG A 45 7.973 -7.548 -0.073 1.00 0.00 N ATOM 327 CA ARG A 45 7.782 -8.241 1.190 1.00 0.00 C ATOM 328 C ARG A 45 9.088 -8.267 1.985 1.00 0.00 C ATOM 329 O ARG A 45 9.682 -9.325 2.177 1.00 0.00 O ATOM 330 CB ARG A 45 7.303 -9.676 0.965 1.00 0.00 C ATOM 331 CG ARG A 45 6.043 -9.967 1.781 1.00 0.00 C ATOM 332 CD ARG A 45 6.124 -11.344 2.443 1.00 0.00 C ATOM 333 NE ARG A 45 6.247 -12.397 1.409 1.00 0.00 N ATOM 334 CZ ARG A 45 7.122 -13.424 1.474 1.00 0.00 C ATOM 335 NH1 ARG A 45 6.784 -14.510 2.142 1.00 0.00 N ATOM 336 NH2 ARG A 45 8.323 -13.340 0.864 1.00 0.00 N ATOM 0 H ARG A 45 8.369 -8.121 -0.818 1.00 0.00 H new ATOM 0 HA ARG A 45 7.021 -7.699 1.752 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.099 -9.833 -0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.091 -10.375 1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.915 -9.200 2.544 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.168 -9.922 1.133 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.980 -11.383 3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.234 -11.519 3.048 1.00 0.00 H new ATOM 0 HE ARG A 45 5.632 -12.343 0.597 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.874 -14.565 2.599 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.433 -15.295 2.201 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.576 -12.496 0.349 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.978 -14.120 0.918 1.00 0.00 H new ATOM 337 N ASP A 46 9.499 -7.085 2.426 1.00 0.00 N ATOM 338 CA ASP A 46 10.724 -6.959 3.198 1.00 0.00 C ATOM 339 C ASP A 46 10.445 -6.140 4.460 1.00 0.00 C ATOM 340 O ASP A 46 10.481 -6.671 5.568 1.00 0.00 O ATOM 341 CB ASP A 46 11.807 -6.236 2.394 1.00 0.00 C ATOM 342 CG ASP A 46 13.211 -6.826 2.527 1.00 0.00 C ATOM 343 OD1 ASP A 46 13.549 -7.825 1.876 1.00 0.00 O ATOM 344 OD2 ASP A 46 13.987 -6.205 3.351 1.00 0.00 O ATOM 0 H ASP A 46 9.005 -6.207 2.263 1.00 0.00 H new ATOM 0 HA ASP A 46 11.070 -7.962 3.450 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.524 -6.244 1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.836 -5.193 2.708 1.00 0.00 H new ATOM 345 N LEU A 47 10.174 -4.861 4.248 1.00 0.00 N ATOM 346 CA LEU A 47 9.888 -3.964 5.355 1.00 0.00 C ATOM 347 C LEU A 47 9.695 -4.783 6.633 1.00 0.00 C ATOM 348 O LEU A 47 8.763 -5.580 6.728 1.00 0.00 O ATOM 349 CB LEU A 47 8.703 -3.057 5.020 1.00 0.00 C ATOM 350 CG LEU A 47 9.023 -1.808 4.198 1.00 0.00 C ATOM 351 CD1 LEU A 47 9.817 -0.796 5.027 1.00 0.00 C ATOM 352 CD2 LEU A 47 9.744 -2.176 2.899 1.00 0.00 C ATOM 0 H LEU A 47 10.146 -4.424 3.327 1.00 0.00 H new ATOM 0 HA LEU A 47 10.730 -3.295 5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.964 -3.645 4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.237 -2.743 5.954 1.00 0.00 H new ATOM 0 HG LEU A 47 8.083 -1.331 3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 47 10.032 0.083 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.232 -0.501 5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.753 -1.248 5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.960 -1.270 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 47 10.677 -2.688 3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.109 -2.832 2.304 1.00 0.00 H new ATOM 353 N ARG A 48 10.590 -4.557 7.584 1.00 0.00 N ATOM 354 CA ARG A 48 10.528 -5.266 8.851 1.00 0.00 C ATOM 355 C ARG A 48 11.329 -4.513 9.917 1.00 0.00 C ATOM 356 O ARG A 48 12.304 -5.038 10.451 1.00 0.00 O ATOM 357 CB ARG A 48 11.082 -6.685 8.718 1.00 0.00 C ATOM 358 CG ARG A 48 10.489 -7.607 9.785 1.00 0.00 C ATOM 359 CD ARG A 48 10.700 -9.077 9.418 1.00 0.00 C ATOM 360 NE ARG A 48 12.145 -9.353 9.248 1.00 0.00 N ATOM 361 CZ ARG A 48 12.639 -10.315 8.438 1.00 0.00 C ATOM 362 NH1 ARG A 48 12.504 -11.618 8.758 1.00 0.00 N ATOM 363 NH2 ARG A 48 13.258 -9.958 7.328 1.00 0.00 N ATOM 0 H ARG A 48 11.361 -3.894 7.503 1.00 0.00 H new ATOM 0 HA ARG A 48 9.481 -5.324 9.147 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.854 -7.077 7.727 1.00 0.00 H new ATOM 0 HB3 ARG A 48 12.168 -6.666 8.812 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.953 -7.399 10.749 1.00 0.00 H new ATOM 0 HG3 ARG A 48 9.423 -7.405 9.894 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.288 -9.718 10.197 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.166 -9.311 8.497 1.00 0.00 H new ATOM 0 HE ARG A 48 12.807 -8.783 9.774 1.00 0.00 H new ATOM 0 HH11 ARG A 48 12.025 -11.885 9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.880 -12.337 8.140 1.00 0.00 H new ATOM 0 HH21 ARG A 48 13.357 -8.970 7.094 1.00 0.00 H new ATOM 0 HH22 ARG A 48 13.638 -10.670 6.704 1.00 0.00 H new ATOM 364 N TRP A 49 10.882 -3.296 10.197 1.00 0.00 N ATOM 365 CA TRP A 49 11.544 -2.467 11.189 1.00 0.00 C ATOM 366 C TRP A 49 11.188 -3.013 12.573 1.00 0.00 C ATOM 367 O TRP A 49 11.668 -2.505 13.587 1.00 0.00 O ATOM 368 CB TRP A 49 11.168 -0.994 11.012 1.00 0.00 C ATOM 369 CG TRP A 49 9.660 -0.732 11.011 1.00 0.00 C ATOM 370 CD1 TRP A 49 8.797 -0.882 12.025 1.00 0.00 C ATOM 371 CD2 TRP A 49 8.869 -0.266 9.900 1.00 0.00 C ATOM 372 NE1 TRP A 49 7.513 -0.548 11.649 1.00 0.00 N ATOM 373 CE2 TRP A 49 7.558 -0.161 10.315 1.00 0.00 C ATOM 374 CE3 TRP A 49 9.250 0.056 8.584 1.00 0.00 C ATOM 375 CZ2 TRP A 49 6.519 0.266 9.477 1.00 0.00 C ATOM 376 CZ3 TRP A 49 8.201 0.481 7.760 1.00 0.00 C ATOM 377 CH2 TRP A 49 6.875 0.592 8.163 1.00 0.00 C ATOM 0 H TRP A 49 10.070 -2.866 9.754 1.00 0.00 H new ATOM 0 HA TRP A 49 12.626 -2.507 11.066 1.00 0.00 H new ATOM 0 HB2 TRP A 49 11.627 -0.414 11.813 1.00 0.00 H new ATOM 0 HB3 TRP A 49 11.590 -0.632 10.074 1.00 0.00 H new ATOM 0 HD1 TRP A 49 9.072 -1.222 13.012 1.00 0.00 H new ATOM 0 HE1 TRP A 49 6.683 -0.579 12.241 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.270 -0.019 8.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 5.500 0.340 9.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 8.439 0.741 6.739 1.00 0.00 H new ATOM 0 HH2 TRP A 49 6.123 0.928 7.465 1.00 0.00 H new ATOM 378 N TRP A 50 10.350 -4.039 12.574 1.00 0.00 N ATOM 379 CA TRP A 50 9.924 -4.658 13.817 1.00 0.00 C ATOM 380 C TRP A 50 10.838 -5.856 14.085 1.00 0.00 C ATOM 381 O TRP A 50 10.590 -6.954 13.592 1.00 0.00 O ATOM 382 CB TRP A 50 8.443 -5.037 13.762 1.00 0.00 C ATOM 383 CG TRP A 50 8.034 -5.758 12.475 1.00 0.00 C ATOM 384 CD1 TRP A 50 7.783 -7.063 12.306 1.00 0.00 C ATOM 385 CD2 TRP A 50 7.836 -5.156 11.179 1.00 0.00 C ATOM 386 NE1 TRP A 50 7.438 -7.346 11.000 1.00 0.00 N ATOM 387 CE2 TRP A 50 7.472 -6.150 10.293 1.00 0.00 C ATOM 388 CE3 TRP A 50 7.960 -3.818 10.768 1.00 0.00 C ATOM 389 CZ2 TRP A 50 7.203 -5.909 8.939 1.00 0.00 C ATOM 390 CZ3 TRP A 50 7.688 -3.594 9.413 1.00 0.00 C ATOM 391 CH2 TRP A 50 7.321 -4.582 8.508 1.00 0.00 C ATOM 0 H TRP A 50 9.954 -4.458 11.732 1.00 0.00 H new ATOM 0 HA TRP A 50 10.014 -3.958 14.647 1.00 0.00 H new ATOM 0 HB2 TRP A 50 8.210 -5.675 14.614 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.843 -4.133 13.867 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.843 -7.801 13.093 1.00 0.00 H new ATOM 0 HE1 TRP A 50 7.202 -8.264 10.623 1.00 0.00 H new ATOM 0 HE3 TRP A 50 8.243 -3.025 11.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 6.920 -6.704 8.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.769 -2.582 9.045 1.00 0.00 H new ATOM 0 HH2 TRP A 50 7.128 -4.328 7.476 1.00 0.00 H new ATOM 392 N GLU A 51 11.879 -5.603 14.867 1.00 0.00 N ATOM 393 CA GLU A 51 12.831 -6.645 15.208 1.00 0.00 C ATOM 394 C GLU A 51 13.745 -6.179 16.341 1.00 0.00 C ATOM 395 O GLU A 51 13.910 -6.880 17.339 1.00 0.00 O ATOM 396 CB GLU A 51 13.646 -7.064 13.982 1.00 0.00 C ATOM 397 CG GLU A 51 13.286 -8.486 13.546 1.00 0.00 C ATOM 398 CD GLU A 51 12.492 -8.472 12.237 1.00 0.00 C ATOM 399 OE1 GLU A 51 13.030 -8.084 11.189 1.00 0.00 O ATOM 400 OE2 GLU A 51 11.274 -8.885 12.335 1.00 0.00 O ATOM 0 H GLU A 51 12.083 -4.690 15.274 1.00 0.00 H new ATOM 0 HA GLU A 51 12.277 -7.519 15.552 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.460 -6.370 13.162 1.00 0.00 H new ATOM 0 HB3 GLU A 51 14.710 -7.008 14.211 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.196 -9.073 13.418 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.700 -8.972 14.326 1.00 0.00 H new ATOM 401 N LEU A 52 14.317 -4.999 16.151 1.00 0.00 N ATOM 402 CA LEU A 52 15.211 -4.432 17.146 1.00 0.00 C ATOM 403 C LEU A 52 14.587 -3.157 17.718 1.00 0.00 C ATOM 404 O LEU A 52 14.421 -3.034 18.931 1.00 0.00 O ATOM 405 CB LEU A 52 16.605 -4.220 16.554 1.00 0.00 C ATOM 406 CG LEU A 52 17.405 -5.490 16.249 1.00 0.00 C ATOM 407 CD1 LEU A 52 18.215 -5.331 14.960 1.00 0.00 C ATOM 408 CD2 LEU A 52 18.288 -5.880 17.436 1.00 0.00 C ATOM 0 H LEU A 52 14.179 -4.420 15.323 1.00 0.00 H new ATOM 0 HA LEU A 52 15.344 -5.124 17.977 1.00 0.00 H new ATOM 0 HB2 LEU A 52 16.503 -3.648 15.632 1.00 0.00 H new ATOM 0 HB3 LEU A 52 17.183 -3.608 17.246 1.00 0.00 H new ATOM 0 HG LEU A 52 16.701 -6.307 16.089 1.00 0.00 H new ATOM 0 HD11 LEU A 52 18.774 -6.247 14.766 1.00 0.00 H new ATOM 0 HD12 LEU A 52 17.539 -5.135 14.127 1.00 0.00 H new ATOM 0 HD13 LEU A 52 18.910 -4.498 15.067 1.00 0.00 H new ATOM 0 HD21 LEU A 52 18.845 -6.785 17.193 1.00 0.00 H new ATOM 0 HD22 LEU A 52 18.986 -5.071 17.652 1.00 0.00 H new ATOM 0 HD23 LEU A 52 17.663 -6.063 18.310 1.00 0.00 H new ATOM 409 N ARG A 53 14.259 -2.242 16.818 1.00 0.00 N ATOM 410 CA ARG A 53 13.656 -0.981 17.219 1.00 0.00 C ATOM 411 C ARG A 53 14.458 -0.348 18.357 1.00 0.00 C ATOM 412 O ARG A 53 15.615 0.028 18.173 1.00 0.00 O ATOM 413 CB ARG A 53 12.209 -1.183 17.674 1.00 0.00 C ATOM 414 CG ARG A 53 11.379 -1.855 16.580 1.00 0.00 C ATOM 415 CD ARG A 53 9.891 -1.546 16.753 1.00 0.00 C ATOM 416 NE ARG A 53 9.420 -2.045 18.065 1.00 0.00 N ATOM 417 CZ ARG A 53 8.870 -3.262 18.261 1.00 0.00 C ATOM 418 NH1 ARG A 53 7.552 -3.458 18.058 1.00 0.00 N ATOM 419 NH2 ARG A 53 9.646 -4.256 18.652 1.00 0.00 N ATOM 420 OXT ARG A 53 13.830 -0.253 19.480 1.00 0.00 O ATOM 0 H ARG A 53 14.399 -2.348 15.813 1.00 0.00 H new ATOM 0 HA ARG A 53 13.663 -0.319 16.353 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.190 -1.794 18.577 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.767 -0.220 17.931 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.714 -1.511 15.601 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.536 -2.933 16.610 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.724 -0.471 16.682 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.319 -2.012 15.951 1.00 0.00 H new ATOM 0 HE ARG A 53 9.517 -1.430 18.873 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.962 -2.683 17.754 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.145 -4.381 18.208 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.642 -4.097 18.801 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.249 -5.183 18.805 1.00 0.00 H new TER 421 ARG A 53