USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=17 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 43 GLN :FLIP amide:sc= -2.77! C(o=-8.6!,f=-2.2!) USER MOD Set 1.2: A 44 THR OG1 : rot 88:sc= 0.535 USER MOD Set 2.1: A 16 ASN : amide:sc= -5.91! C(o=-5.8!,f=-6.6!) USER MOD Set 2.2: A 37 TYR OH : rot -71:sc= 0.109 USER MOD Set 3.1: A 1 ASN N :NH3+ -123:sc= -1.82 (180deg=-0.989) USER MOD Set 3.2: A 25 SER OG : rot 180:sc= -0.813 USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.268 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -45:sc= 0.276 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 62:sc= -1.95! USER MOD Single : A 13 TYR OH : rot -173:sc= 1.23 USER MOD Single : A 21 MET CE :methyl -110:sc=-0.000294 (180deg=-0.978) USER MOD Single : A 22 HIS :FLIP no HE2:sc= -7.41! C(o=-12!,f=-7.4!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0971 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -3.173 15.963 1.222 1.00 0.00 N ATOM 2 CA ASN A 1 -4.206 15.353 2.042 1.00 0.00 C ATOM 3 C ASN A 1 -4.567 13.983 1.467 1.00 0.00 C ATOM 4 O ASN A 1 -4.486 13.773 0.257 1.00 0.00 O ATOM 5 CB ASN A 1 -5.472 16.210 2.058 1.00 0.00 C ATOM 6 CG ASN A 1 -6.012 16.366 3.481 1.00 0.00 C ATOM 7 OD1 ASN A 1 -6.709 15.513 4.006 1.00 0.00 O ATOM 8 ND2 ASN A 1 -5.654 17.501 4.075 1.00 0.00 N ATOM 0 H1 ASN A 1 -2.348 16.188 1.814 1.00 0.00 H new ATOM 0 H2 ASN A 1 -2.891 15.302 0.471 1.00 0.00 H new ATOM 0 H3 ASN A 1 -3.540 16.837 0.794 1.00 0.00 H new ATOM 0 HA ASN A 1 -3.820 15.261 3.057 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -5.256 17.192 1.638 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -6.233 15.753 1.425 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -5.965 17.699 5.026 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -5.069 18.173 3.579 1.00 0.00 H new ATOM 9 N SER A 2 -4.958 13.086 2.359 1.00 0.00 N ATOM 10 CA SER A 2 -5.333 11.741 1.955 1.00 0.00 C ATOM 11 C SER A 2 -6.810 11.705 1.560 1.00 0.00 C ATOM 12 O SER A 2 -7.679 12.039 2.365 1.00 0.00 O ATOM 13 CB SER A 2 -5.056 10.733 3.071 1.00 0.00 C ATOM 14 OG SER A 2 -5.728 11.078 4.280 1.00 0.00 O ATOM 0 H SER A 2 -5.024 13.264 3.361 1.00 0.00 H new ATOM 0 HA SER A 2 -4.727 11.462 1.093 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.373 9.741 2.750 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.983 10.681 3.255 1.00 0.00 H new ATOM 0 HG SER A 2 -6.598 11.477 4.068 1.00 0.00 H new ATOM 15 N TYR A 3 -7.051 11.300 0.323 1.00 0.00 N ATOM 16 CA TYR A 3 -8.408 11.217 -0.187 1.00 0.00 C ATOM 17 C TYR A 3 -8.697 9.825 -0.753 1.00 0.00 C ATOM 18 O TYR A 3 -7.876 9.260 -1.474 1.00 0.00 O ATOM 19 CB TYR A 3 -8.496 12.242 -1.320 1.00 0.00 C ATOM 20 CG TYR A 3 -9.791 12.164 -2.131 1.00 0.00 C ATOM 21 CD1 TYR A 3 -10.914 12.847 -1.709 1.00 0.00 C ATOM 22 CD2 TYR A 3 -9.838 11.407 -3.286 1.00 0.00 C ATOM 23 CE1 TYR A 3 -12.131 12.774 -2.472 1.00 0.00 C ATOM 24 CE2 TYR A 3 -11.058 11.333 -4.048 1.00 0.00 C ATOM 25 CZ TYR A 3 -12.145 12.019 -3.605 1.00 0.00 C ATOM 26 OH TYR A 3 -13.294 11.950 -4.326 1.00 0.00 O ATOM 0 H TYR A 3 -6.328 11.025 -0.342 1.00 0.00 H new ATOM 0 HA TYR A 3 -9.129 11.408 0.608 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -8.403 13.243 -0.899 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.650 12.099 -1.992 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -10.879 13.437 -0.805 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.961 10.871 -3.617 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -13.015 13.307 -2.153 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -11.108 10.745 -4.952 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.155 11.377 -5.108 1.00 0.00 H new ATOM 27 N PRO A 4 -9.899 9.297 -0.394 1.00 0.00 N ATOM 28 CA PRO A 4 -10.307 7.982 -0.857 1.00 0.00 C ATOM 29 C PRO A 4 -10.725 8.024 -2.328 1.00 0.00 C ATOM 30 O PRO A 4 -11.631 8.768 -2.698 1.00 0.00 O ATOM 31 CB PRO A 4 -11.438 7.571 0.072 1.00 0.00 C ATOM 32 CG PRO A 4 -11.931 8.854 0.719 1.00 0.00 C ATOM 33 CD PRO A 4 -10.897 9.937 0.458 1.00 0.00 C ATOM 0 HA PRO A 4 -9.497 7.253 -0.822 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.239 7.079 -0.481 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.089 6.863 0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.898 9.142 0.306 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.072 8.711 1.790 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.344 10.801 -0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.454 10.294 1.388 1.00 0.00 H new ATOM 34 N GLY A 5 -10.046 7.213 -3.127 1.00 0.00 N ATOM 35 CA GLY A 5 -10.337 7.149 -4.549 1.00 0.00 C ATOM 36 C GLY A 5 -9.215 6.432 -5.305 1.00 0.00 C ATOM 37 O GLY A 5 -8.086 6.358 -4.824 1.00 0.00 O ATOM 0 H GLY A 5 -9.296 6.595 -2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.280 6.626 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.461 8.157 -4.945 1.00 0.00 H new ATOM 38 N CYS A 6 -9.568 5.921 -6.476 1.00 0.00 N ATOM 39 CA CYS A 6 -8.607 5.211 -7.303 1.00 0.00 C ATOM 40 C CYS A 6 -9.374 4.288 -8.250 1.00 0.00 C ATOM 41 O CYS A 6 -9.634 3.133 -7.921 1.00 0.00 O ATOM 42 CB CYS A 6 -7.590 4.443 -6.456 1.00 0.00 C ATOM 43 SG CYS A 6 -8.293 3.594 -4.996 1.00 0.00 S ATOM 0 H CYS A 6 -10.506 5.985 -6.871 1.00 0.00 H new ATOM 0 HA CYS A 6 -8.029 5.927 -7.887 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -7.098 3.703 -7.087 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.820 5.137 -6.119 1.00 0.00 H new ATOM 44 N PRO A 7 -9.728 4.849 -9.438 1.00 0.00 N ATOM 45 CA PRO A 7 -10.461 4.088 -10.434 1.00 0.00 C ATOM 46 C PRO A 7 -9.548 3.083 -11.140 1.00 0.00 C ATOM 47 O PRO A 7 -8.336 3.092 -10.937 1.00 0.00 O ATOM 48 CB PRO A 7 -11.039 5.130 -11.378 1.00 0.00 C ATOM 49 CG PRO A 7 -10.228 6.395 -11.148 1.00 0.00 C ATOM 50 CD PRO A 7 -9.439 6.215 -9.863 1.00 0.00 C ATOM 0 HA PRO A 7 -11.254 3.480 -9.998 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.965 4.802 -12.415 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.096 5.300 -11.172 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.556 6.575 -11.987 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -10.885 7.262 -11.074 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.372 6.360 -10.030 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.744 6.938 -9.106 1.00 0.00 H new ATOM 51 N SER A 8 -10.167 2.241 -11.955 1.00 0.00 N ATOM 52 CA SER A 8 -9.425 1.232 -12.690 1.00 0.00 C ATOM 53 C SER A 8 -8.459 0.503 -11.754 1.00 0.00 C ATOM 54 O SER A 8 -7.546 -0.184 -12.209 1.00 0.00 O ATOM 55 CB SER A 8 -8.660 1.854 -13.861 1.00 0.00 C ATOM 56 OG SER A 8 -8.194 0.871 -14.780 1.00 0.00 O ATOM 0 H SER A 8 -11.173 2.237 -12.122 1.00 0.00 H new ATOM 0 HA SER A 8 -10.138 0.514 -13.096 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.307 2.559 -14.383 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.812 2.423 -13.478 1.00 0.00 H new ATOM 0 HG SER A 8 -7.790 0.127 -14.286 1.00 0.00 H new ATOM 57 N SER A 9 -8.694 0.680 -10.463 1.00 0.00 N ATOM 58 CA SER A 9 -7.856 0.049 -9.456 1.00 0.00 C ATOM 59 C SER A 9 -6.380 0.251 -9.804 1.00 0.00 C ATOM 60 O SER A 9 -5.524 -0.515 -9.360 1.00 0.00 O ATOM 61 CB SER A 9 -8.174 -1.443 -9.333 1.00 0.00 C ATOM 62 OG SER A 9 -7.997 -1.919 -8.002 1.00 0.00 O ATOM 0 H SER A 9 -9.452 1.251 -10.090 1.00 0.00 H new ATOM 0 HA SER A 9 -8.063 0.518 -8.494 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.202 -1.622 -9.648 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.531 -2.007 -10.008 1.00 0.00 H new ATOM 0 HG SER A 9 -8.211 -2.875 -7.965 1.00 0.00 H new ATOM 63 N TYR A 10 -6.127 1.284 -10.591 1.00 0.00 N ATOM 64 CA TYR A 10 -4.769 1.596 -11.003 1.00 0.00 C ATOM 65 C TYR A 10 -3.924 0.325 -11.118 1.00 0.00 C ATOM 66 O TYR A 10 -2.746 0.324 -10.765 1.00 0.00 O ATOM 67 CB TYR A 10 -4.187 2.480 -9.900 1.00 0.00 C ATOM 68 CG TYR A 10 -4.134 3.968 -10.255 1.00 0.00 C ATOM 69 CD1 TYR A 10 -5.277 4.737 -10.180 1.00 0.00 C ATOM 70 CD2 TYR A 10 -2.943 4.541 -10.653 1.00 0.00 C ATOM 71 CE1 TYR A 10 -5.227 6.136 -10.516 1.00 0.00 C ATOM 72 CE2 TYR A 10 -2.894 5.940 -10.989 1.00 0.00 C ATOM 73 CZ TYR A 10 -4.038 6.669 -10.903 1.00 0.00 C ATOM 74 OH TYR A 10 -3.991 7.990 -11.222 1.00 0.00 O ATOM 0 H TYR A 10 -6.839 1.917 -10.955 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.767 2.085 -11.977 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.783 2.354 -8.996 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.179 2.137 -9.668 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.209 4.289 -9.869 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.048 3.940 -10.712 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.115 6.749 -10.462 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.969 6.400 -11.303 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.228 8.525 -10.436 1.00 0.00 H new ATOM 75 N ASP A 11 -4.561 -0.725 -11.616 1.00 0.00 N ATOM 76 CA ASP A 11 -3.883 -2.001 -11.782 1.00 0.00 C ATOM 77 C ASP A 11 -3.433 -2.517 -10.415 1.00 0.00 C ATOM 78 O ASP A 11 -2.247 -2.473 -10.091 1.00 0.00 O ATOM 79 CB ASP A 11 -2.641 -1.853 -12.664 1.00 0.00 C ATOM 80 CG ASP A 11 -1.867 -3.150 -12.913 1.00 0.00 C ATOM 81 OD1 ASP A 11 -2.307 -3.869 -13.888 1.00 0.00 O ATOM 82 OD2 ASP A 11 -0.893 -3.455 -12.211 1.00 0.00 O ATOM 0 H ASP A 11 -5.538 -0.719 -11.910 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.580 -2.694 -12.253 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.944 -1.438 -13.625 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.969 -1.130 -12.202 1.00 0.00 H new ATOM 83 N GLY A 12 -4.403 -2.994 -9.649 1.00 0.00 N ATOM 84 CA GLY A 12 -4.124 -3.518 -8.324 1.00 0.00 C ATOM 85 C GLY A 12 -3.092 -2.651 -7.599 1.00 0.00 C ATOM 86 O GLY A 12 -2.210 -3.170 -6.915 1.00 0.00 O ATOM 0 H GLY A 12 -5.385 -3.028 -9.922 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.045 -3.556 -7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.754 -4.540 -8.403 1.00 0.00 H new ATOM 87 N TYR A 13 -3.235 -1.347 -7.774 1.00 0.00 N ATOM 88 CA TYR A 13 -2.326 -0.403 -7.145 1.00 0.00 C ATOM 89 C TYR A 13 -2.067 -0.780 -5.685 1.00 0.00 C ATOM 90 O TYR A 13 -1.035 -0.421 -5.122 1.00 0.00 O ATOM 91 CB TYR A 13 -3.031 0.954 -7.190 1.00 0.00 C ATOM 92 CG TYR A 13 -2.077 2.151 -7.157 1.00 0.00 C ATOM 93 CD1 TYR A 13 -1.273 2.423 -8.245 1.00 0.00 C ATOM 94 CD2 TYR A 13 -2.022 2.959 -6.040 1.00 0.00 C ATOM 95 CE1 TYR A 13 -0.375 3.549 -8.213 1.00 0.00 C ATOM 96 CE2 TYR A 13 -1.126 4.085 -6.008 1.00 0.00 C ATOM 97 CZ TYR A 13 -0.347 4.325 -7.098 1.00 0.00 C ATOM 98 OH TYR A 13 0.500 5.389 -7.067 1.00 0.00 O ATOM 0 H TYR A 13 -3.967 -0.920 -8.342 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.366 -0.394 -7.660 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.635 1.008 -8.096 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.716 1.025 -6.345 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.317 1.792 -9.120 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.652 2.746 -5.189 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.262 3.771 -9.056 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.073 4.725 -5.139 1.00 0.00 H new ATOM 0 HH TYR A 13 0.494 5.786 -6.171 1.00 0.00 H new ATOM 99 N CYS A 14 -3.022 -1.502 -5.116 1.00 0.00 N ATOM 100 CA CYS A 14 -2.910 -1.933 -3.733 1.00 0.00 C ATOM 101 C CYS A 14 -3.056 -3.456 -3.691 1.00 0.00 C ATOM 102 O CYS A 14 -3.839 -4.028 -4.446 1.00 0.00 O ATOM 103 CB CYS A 14 -3.937 -1.236 -2.838 1.00 0.00 C ATOM 104 SG CYS A 14 -4.661 0.289 -3.544 1.00 0.00 S ATOM 0 H CYS A 14 -3.876 -1.799 -5.588 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.933 -1.652 -3.340 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.743 -1.937 -2.620 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.463 -0.990 -1.888 1.00 0.00 H new ATOM 105 N LEU A 15 -2.289 -4.067 -2.800 1.00 0.00 N ATOM 106 CA LEU A 15 -2.324 -5.512 -2.649 1.00 0.00 C ATOM 107 C LEU A 15 -1.705 -5.895 -1.304 1.00 0.00 C ATOM 108 O LEU A 15 -1.164 -5.043 -0.600 1.00 0.00 O ATOM 109 CB LEU A 15 -1.657 -6.191 -3.848 1.00 0.00 C ATOM 110 CG LEU A 15 -0.655 -5.341 -4.629 1.00 0.00 C ATOM 111 CD1 LEU A 15 0.742 -5.429 -4.010 1.00 0.00 C ATOM 112 CD2 LEU A 15 -0.649 -5.720 -6.112 1.00 0.00 C ATOM 0 H LEU A 15 -1.640 -3.588 -2.176 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.354 -5.870 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.146 -7.087 -3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.437 -6.519 -4.535 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.971 -4.300 -4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.434 -4.815 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.707 -5.070 -2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.080 -6.465 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.073 -5.100 -6.643 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.373 -6.769 -6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.642 -5.562 -6.532 1.00 0.00 H new ATOM 113 N ASN A 16 -1.804 -7.178 -0.985 1.00 0.00 N ATOM 114 CA ASN A 16 -1.261 -7.685 0.263 1.00 0.00 C ATOM 115 C ASN A 16 -1.799 -6.846 1.425 1.00 0.00 C ATOM 116 O ASN A 16 -1.040 -6.138 2.087 1.00 0.00 O ATOM 117 CB ASN A 16 0.265 -7.588 0.278 1.00 0.00 C ATOM 118 CG ASN A 16 0.876 -8.396 -0.869 1.00 0.00 C ATOM 119 OD1 ASN A 16 0.572 -9.558 -1.077 1.00 0.00 O ATOM 120 ND2 ASN A 16 1.755 -7.715 -1.601 1.00 0.00 N ATOM 0 H ASN A 16 -2.253 -7.882 -1.571 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.557 -8.729 0.361 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.568 -6.544 0.194 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.647 -7.955 1.230 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.219 -8.165 -2.390 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.965 -6.743 -1.373 1.00 0.00 H new ATOM 121 N GLY A 17 -3.103 -6.952 1.636 1.00 0.00 N ATOM 122 CA GLY A 17 -3.750 -6.213 2.706 1.00 0.00 C ATOM 123 C GLY A 17 -3.473 -4.712 2.582 1.00 0.00 C ATOM 124 O GLY A 17 -3.350 -4.016 3.587 1.00 0.00 O ATOM 0 H GLY A 17 -3.729 -7.539 1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.825 -6.392 2.678 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.392 -6.574 3.670 1.00 0.00 H new ATOM 125 N GLY A 18 -3.384 -4.260 1.340 1.00 0.00 N ATOM 126 CA GLY A 18 -3.124 -2.856 1.071 1.00 0.00 C ATOM 127 C GLY A 18 -4.408 -2.128 0.666 1.00 0.00 C ATOM 128 O GLY A 18 -5.068 -2.516 -0.297 1.00 0.00 O ATOM 0 H GLY A 18 -3.487 -4.841 0.508 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.699 -2.385 1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.384 -2.765 0.276 1.00 0.00 H new ATOM 129 N VAL A 19 -4.723 -1.088 1.424 1.00 0.00 N ATOM 130 CA VAL A 19 -5.917 -0.303 1.155 1.00 0.00 C ATOM 131 C VAL A 19 -5.613 0.721 0.059 1.00 0.00 C ATOM 132 O VAL A 19 -4.452 1.025 -0.207 1.00 0.00 O ATOM 133 CB VAL A 19 -6.422 0.339 2.449 1.00 0.00 C ATOM 134 CG1 VAL A 19 -7.808 0.957 2.250 1.00 0.00 C ATOM 135 CG2 VAL A 19 -6.432 -0.672 3.596 1.00 0.00 C ATOM 0 H VAL A 19 -4.174 -0.771 2.223 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.720 -0.942 0.789 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.733 1.140 2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.144 1.406 3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.757 1.723 1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.512 0.182 1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.795 -0.189 4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.087 -1.505 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.421 -1.043 3.762 1.00 0.00 H new ATOM 136 N CYS A 20 -6.679 1.221 -0.548 1.00 0.00 N ATOM 137 CA CYS A 20 -6.542 2.204 -1.610 1.00 0.00 C ATOM 138 C CYS A 20 -6.771 3.593 -1.012 1.00 0.00 C ATOM 139 O CYS A 20 -7.719 3.798 -0.257 1.00 0.00 O ATOM 140 CB CYS A 20 -7.496 1.918 -2.772 1.00 0.00 C ATOM 141 SG CYS A 20 -6.879 2.436 -4.417 1.00 0.00 S ATOM 0 H CYS A 20 -7.641 0.964 -0.325 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.537 2.152 -2.030 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.704 0.848 -2.798 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.443 2.423 -2.579 1.00 0.00 H new ATOM 142 N MET A 21 -5.886 4.511 -1.373 1.00 0.00 N ATOM 143 CA MET A 21 -5.981 5.875 -0.882 1.00 0.00 C ATOM 144 C MET A 21 -5.318 6.854 -1.854 1.00 0.00 C ATOM 145 O MET A 21 -4.115 6.773 -2.099 1.00 0.00 O ATOM 146 CB MET A 21 -5.301 5.973 0.484 1.00 0.00 C ATOM 147 CG MET A 21 -6.180 5.361 1.577 1.00 0.00 C ATOM 148 SD MET A 21 -7.737 6.228 1.666 1.00 0.00 S ATOM 149 CE MET A 21 -7.286 7.567 2.755 1.00 0.00 C ATOM 0 H MET A 21 -5.100 4.337 -1.999 1.00 0.00 H new ATOM 0 HA MET A 21 -7.035 6.138 -0.793 1.00 0.00 H new ATOM 0 HB2 MET A 21 -4.340 5.459 0.454 1.00 0.00 H new ATOM 0 HB3 MET A 21 -5.096 7.018 0.719 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.354 4.306 1.367 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.669 5.415 2.538 1.00 0.00 H new ATOM 0 HE1 MET A 21 -7.775 7.432 3.720 1.00 0.00 H new ATOM 0 HE2 MET A 21 -6.205 7.574 2.894 1.00 0.00 H new ATOM 0 HE3 MET A 21 -7.602 8.514 2.317 1.00 0.00 H new ATOM 150 N HIS A 22 -6.132 7.758 -2.382 1.00 0.00 N ATOM 151 CA HIS A 22 -5.639 8.752 -3.320 1.00 0.00 C ATOM 152 C HIS A 22 -5.152 9.983 -2.555 1.00 0.00 C ATOM 153 O HIS A 22 -5.852 10.493 -1.682 1.00 0.00 O ATOM 154 CB HIS A 22 -6.706 9.088 -4.365 1.00 0.00 C ATOM 155 CG HIS A 22 -6.270 10.117 -5.378 1.00 0.00 C ATOM 156 ND1 HIS A 22 -5.166 10.167 -6.180 1.00 0.00 N flip ATOM 157 CD2 HIS A 22 -7.004 11.258 -5.653 1.00 0.00 C flip ATOM 158 CE1 HIS A 22 -5.226 11.277 -6.905 1.00 0.00 C flip ATOM 159 NE2 HIS A 22 -6.363 11.955 -6.580 1.00 0.00 N flip ATOM 0 H HIS A 22 -7.129 7.822 -2.178 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.788 8.348 -3.869 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.988 8.174 -4.889 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.598 9.451 -3.855 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -4.422 9.470 -6.216 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.940 11.533 -5.190 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.494 11.592 -7.634 1.00 0.00 H new ATOM 160 N ILE A 23 -3.953 10.424 -2.908 1.00 0.00 N ATOM 161 CA ILE A 23 -3.364 11.587 -2.266 1.00 0.00 C ATOM 162 C ILE A 23 -3.949 12.858 -2.884 1.00 0.00 C ATOM 163 O ILE A 23 -4.469 12.827 -3.998 1.00 0.00 O ATOM 164 CB ILE A 23 -1.836 11.516 -2.332 1.00 0.00 C ATOM 165 CG1 ILE A 23 -1.364 10.085 -2.591 1.00 0.00 C ATOM 166 CG2 ILE A 23 -1.206 12.109 -1.069 1.00 0.00 C ATOM 167 CD1 ILE A 23 0.098 9.906 -2.175 1.00 0.00 C ATOM 0 H ILE A 23 -3.374 9.997 -3.630 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.615 11.606 -1.205 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.501 12.121 -3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.991 9.386 -2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.477 9.847 -3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.120 12.047 -1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.504 13.153 -0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.545 11.550 -0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.409 8.879 -2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.725 10.590 -2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.203 10.121 -1.112 1.00 0.00 H new ATOM 168 N GLU A 24 -3.842 13.944 -2.135 1.00 0.00 N ATOM 169 CA GLU A 24 -4.355 15.224 -2.595 1.00 0.00 C ATOM 170 C GLU A 24 -3.220 16.245 -2.693 1.00 0.00 C ATOM 171 O GLU A 24 -3.213 17.084 -3.591 1.00 0.00 O ATOM 172 CB GLU A 24 -5.471 15.729 -1.678 1.00 0.00 C ATOM 173 CG GLU A 24 -6.753 14.917 -1.876 1.00 0.00 C ATOM 174 CD GLU A 24 -7.933 15.572 -1.155 1.00 0.00 C ATOM 175 OE1 GLU A 24 -7.994 15.344 0.112 1.00 0.00 O ATOM 176 OE2 GLU A 24 -8.743 16.262 -1.795 1.00 0.00 O ATOM 0 H GLU A 24 -3.408 13.965 -1.212 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.781 15.088 -3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.151 15.662 -0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.667 16.781 -1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.974 14.833 -2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.608 13.904 -1.499 1.00 0.00 H new ATOM 177 N SER A 25 -2.288 16.139 -1.755 1.00 0.00 N ATOM 178 CA SER A 25 -1.152 17.045 -1.723 1.00 0.00 C ATOM 179 C SER A 25 -0.412 16.999 -3.062 1.00 0.00 C ATOM 180 O SER A 25 0.076 18.023 -3.539 1.00 0.00 O ATOM 181 CB SER A 25 -0.200 16.692 -0.578 1.00 0.00 C ATOM 182 OG SER A 25 -0.828 16.820 0.695 1.00 0.00 O ATOM 0 H SER A 25 -2.297 15.440 -1.012 1.00 0.00 H new ATOM 0 HA SER A 25 -1.522 18.056 -1.553 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.157 15.670 -0.705 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.674 17.343 -0.619 1.00 0.00 H new ATOM 0 HG SER A 25 -0.189 16.585 1.400 1.00 0.00 H new ATOM 183 N LEU A 26 -0.352 15.804 -3.631 1.00 0.00 N ATOM 184 CA LEU A 26 0.319 15.613 -4.904 1.00 0.00 C ATOM 185 C LEU A 26 -0.677 15.058 -5.924 1.00 0.00 C ATOM 186 O LEU A 26 -0.282 14.556 -6.974 1.00 0.00 O ATOM 187 CB LEU A 26 1.565 14.745 -4.728 1.00 0.00 C ATOM 188 CG LEU A 26 2.854 15.487 -4.359 1.00 0.00 C ATOM 189 CD1 LEU A 26 3.706 15.754 -5.601 1.00 0.00 C ATOM 190 CD2 LEU A 26 2.544 16.772 -3.589 1.00 0.00 C ATOM 0 H LEU A 26 -0.758 14.957 -3.232 1.00 0.00 H new ATOM 0 HA LEU A 26 0.675 16.567 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.361 14.005 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.737 14.198 -5.655 1.00 0.00 H new ATOM 0 HG LEU A 26 3.440 14.849 -3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.615 16.282 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.970 14.807 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.141 16.364 -6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.475 17.280 -3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.928 17.426 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.007 16.527 -2.673 1.00 0.00 H new ATOM 191 N ASP A 27 -1.952 15.167 -5.578 1.00 0.00 N ATOM 192 CA ASP A 27 -3.007 14.682 -6.450 1.00 0.00 C ATOM 193 C ASP A 27 -2.621 13.305 -6.996 1.00 0.00 C ATOM 194 O ASP A 27 -3.094 12.899 -8.056 1.00 0.00 O ATOM 195 CB ASP A 27 -3.215 15.621 -7.639 1.00 0.00 C ATOM 196 CG ASP A 27 -4.643 16.145 -7.807 1.00 0.00 C ATOM 197 OD1 ASP A 27 -5.058 17.096 -7.127 1.00 0.00 O ATOM 198 OD2 ASP A 27 -5.349 15.527 -8.693 1.00 0.00 O ATOM 0 H ASP A 27 -2.277 15.584 -4.706 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.927 14.629 -5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.542 16.472 -7.533 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.926 15.098 -8.551 1.00 0.00 H new ATOM 199 N SER A 28 -1.763 12.627 -6.247 1.00 0.00 N ATOM 200 CA SER A 28 -1.307 11.306 -6.643 1.00 0.00 C ATOM 201 C SER A 28 -2.123 10.232 -5.921 1.00 0.00 C ATOM 202 O SER A 28 -2.943 10.546 -5.060 1.00 0.00 O ATOM 203 CB SER A 28 0.184 11.126 -6.349 1.00 0.00 C ATOM 204 OG SER A 28 0.617 11.953 -5.272 1.00 0.00 O ATOM 0 H SER A 28 -1.372 12.968 -5.369 1.00 0.00 H new ATOM 0 HA SER A 28 -1.453 11.203 -7.718 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.383 10.082 -6.108 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.761 11.362 -7.243 1.00 0.00 H new ATOM 0 HG SER A 28 1.573 11.809 -5.113 1.00 0.00 H new ATOM 205 N TYR A 29 -1.873 8.989 -6.302 1.00 0.00 N ATOM 206 CA TYR A 29 -2.576 7.865 -5.701 1.00 0.00 C ATOM 207 C TYR A 29 -1.626 7.015 -4.855 1.00 0.00 C ATOM 208 O TYR A 29 -0.468 6.818 -5.222 1.00 0.00 O ATOM 209 CB TYR A 29 -3.095 7.022 -6.867 1.00 0.00 C ATOM 210 CG TYR A 29 -4.368 7.573 -7.513 1.00 0.00 C ATOM 211 CD1 TYR A 29 -5.591 7.382 -6.904 1.00 0.00 C ATOM 212 CD2 TYR A 29 -4.292 8.262 -8.707 1.00 0.00 C ATOM 213 CE1 TYR A 29 -6.788 7.900 -7.513 1.00 0.00 C ATOM 214 CE2 TYR A 29 -5.489 8.778 -9.317 1.00 0.00 C ATOM 215 CZ TYR A 29 -6.678 8.572 -8.689 1.00 0.00 C ATOM 216 OH TYR A 29 -7.809 9.063 -9.265 1.00 0.00 O ATOM 0 H TYR A 29 -1.194 8.733 -7.019 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.377 8.215 -5.049 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.316 6.951 -7.626 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.288 6.009 -6.513 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.650 6.843 -5.970 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.335 8.414 -9.183 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.751 7.758 -7.046 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.444 9.317 -10.252 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.578 9.521 -10.100 1.00 0.00 H new ATOM 217 N THR A 30 -2.150 6.535 -3.737 1.00 0.00 N ATOM 218 CA THR A 30 -1.365 5.708 -2.835 1.00 0.00 C ATOM 219 C THR A 30 -2.142 4.447 -2.454 1.00 0.00 C ATOM 220 O THR A 30 -3.203 4.173 -3.014 1.00 0.00 O ATOM 221 CB THR A 30 -0.970 6.568 -1.633 1.00 0.00 C ATOM 222 OG1 THR A 30 0.327 6.096 -1.282 1.00 0.00 O ATOM 223 CG2 THR A 30 -1.821 6.270 -0.396 1.00 0.00 C ATOM 0 H THR A 30 -3.110 6.703 -3.435 1.00 0.00 H new ATOM 0 HA THR A 30 -0.452 5.354 -3.314 1.00 0.00 H new ATOM 0 HB THR A 30 -1.064 7.622 -1.893 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.661 6.601 -0.511 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.500 6.907 0.428 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.870 6.467 -0.620 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.700 5.224 -0.115 1.00 0.00 H new ATOM 224 N CYS A 31 -1.585 3.713 -1.501 1.00 0.00 N ATOM 225 CA CYS A 31 -2.213 2.487 -1.037 1.00 0.00 C ATOM 226 C CYS A 31 -1.599 2.116 0.314 1.00 0.00 C ATOM 227 O CYS A 31 -0.396 1.878 0.408 1.00 0.00 O ATOM 228 CB CYS A 31 -2.072 1.357 -2.060 1.00 0.00 C ATOM 229 SG CYS A 31 -3.457 1.218 -3.247 1.00 0.00 S ATOM 0 H CYS A 31 -0.706 3.944 -1.038 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.285 2.646 -0.916 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.147 1.505 -2.618 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.974 0.412 -1.525 1.00 0.00 H new ATOM 230 N ASN A 32 -2.455 2.076 1.324 1.00 0.00 N ATOM 231 CA ASN A 32 -2.013 1.735 2.666 1.00 0.00 C ATOM 232 C ASN A 32 -1.743 0.231 2.744 1.00 0.00 C ATOM 233 O ASN A 32 -2.655 -0.554 3.005 1.00 0.00 O ATOM 234 CB ASN A 32 -3.083 2.078 3.704 1.00 0.00 C ATOM 235 CG ASN A 32 -2.561 1.862 5.123 1.00 0.00 C ATOM 236 OD1 ASN A 32 -1.367 1.807 5.373 1.00 0.00 O ATOM 237 ND2 ASN A 32 -3.518 1.742 6.039 1.00 0.00 N ATOM 0 H ASN A 32 -3.452 2.274 1.241 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.110 2.307 2.878 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.394 3.116 3.581 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.965 1.459 3.540 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.272 1.594 7.018 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.498 1.798 5.763 1.00 0.00 H new ATOM 238 N CYS A 33 -0.488 -0.125 2.515 1.00 0.00 N ATOM 239 CA CYS A 33 -0.088 -1.523 2.557 1.00 0.00 C ATOM 240 C CYS A 33 -0.218 -2.016 3.998 1.00 0.00 C ATOM 241 O CYS A 33 -1.092 -1.566 4.737 1.00 0.00 O ATOM 242 CB CYS A 33 1.327 -1.721 2.008 1.00 0.00 C ATOM 243 SG CYS A 33 1.693 -0.796 0.474 1.00 0.00 S ATOM 0 H CYS A 33 0.265 0.528 2.300 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.742 -2.113 1.914 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.043 -1.424 2.774 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.483 -2.783 1.821 1.00 0.00 H new ATOM 244 N VAL A 34 0.667 -2.936 4.356 1.00 0.00 N ATOM 245 CA VAL A 34 0.665 -3.496 5.697 1.00 0.00 C ATOM 246 C VAL A 34 2.085 -3.924 6.070 1.00 0.00 C ATOM 247 O VAL A 34 3.052 -3.494 5.444 1.00 0.00 O ATOM 248 CB VAL A 34 -0.349 -4.639 5.784 1.00 0.00 C ATOM 249 CG1 VAL A 34 0.334 -5.992 5.583 1.00 0.00 C ATOM 250 CG2 VAL A 34 -1.109 -4.600 7.112 1.00 0.00 C ATOM 0 H VAL A 34 1.390 -3.307 3.740 1.00 0.00 H new ATOM 0 HA VAL A 34 0.353 -2.746 6.424 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.074 -4.506 4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.408 -6.788 5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.807 -6.018 4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.090 -6.136 6.355 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.823 -5.423 7.147 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.404 -4.696 7.938 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.642 -3.653 7.198 1.00 0.00 H new ATOM 251 N ILE A 35 2.166 -4.770 7.088 1.00 0.00 N ATOM 252 CA ILE A 35 3.451 -5.263 7.550 1.00 0.00 C ATOM 253 C ILE A 35 4.172 -5.959 6.395 1.00 0.00 C ATOM 254 O ILE A 35 3.532 -6.451 5.466 1.00 0.00 O ATOM 255 CB ILE A 35 3.272 -6.148 8.786 1.00 0.00 C ATOM 256 CG1 ILE A 35 2.423 -5.444 9.846 1.00 0.00 C ATOM 257 CG2 ILE A 35 4.627 -6.595 9.341 1.00 0.00 C ATOM 258 CD1 ILE A 35 3.303 -4.851 10.950 1.00 0.00 C ATOM 0 H ILE A 35 1.362 -5.126 7.605 1.00 0.00 H new ATOM 0 HA ILE A 35 4.084 -4.435 7.868 1.00 0.00 H new ATOM 0 HB ILE A 35 2.733 -7.047 8.487 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.836 -4.653 9.380 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.717 -6.152 10.280 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.472 -7.222 10.219 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.163 -7.162 8.580 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.213 -5.719 9.620 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.674 -4.356 11.690 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.871 -5.648 11.430 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.992 -4.126 10.516 1.00 0.00 H new ATOM 259 N GLY A 36 5.492 -5.979 6.489 1.00 0.00 N ATOM 260 CA GLY A 36 6.307 -6.605 5.463 1.00 0.00 C ATOM 261 C GLY A 36 5.723 -6.357 4.071 1.00 0.00 C ATOM 262 O GLY A 36 5.883 -7.180 3.170 1.00 0.00 O ATOM 0 H GLY A 36 6.019 -5.571 7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.323 -6.212 5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.371 -7.677 5.649 1.00 0.00 H new ATOM 263 N TYR A 37 5.056 -5.221 3.939 1.00 0.00 N ATOM 264 CA TYR A 37 4.447 -4.854 2.671 1.00 0.00 C ATOM 265 C TYR A 37 4.371 -3.333 2.519 1.00 0.00 C ATOM 266 O TYR A 37 3.690 -2.662 3.292 1.00 0.00 O ATOM 267 CB TYR A 37 3.027 -5.422 2.707 1.00 0.00 C ATOM 268 CG TYR A 37 2.921 -6.862 2.200 1.00 0.00 C ATOM 269 CD1 TYR A 37 3.446 -7.202 0.968 1.00 0.00 C ATOM 270 CD2 TYR A 37 2.300 -7.822 2.972 1.00 0.00 C ATOM 271 CE1 TYR A 37 3.346 -8.557 0.492 1.00 0.00 C ATOM 272 CE2 TYR A 37 2.199 -9.176 2.496 1.00 0.00 C ATOM 273 CZ TYR A 37 2.728 -9.478 1.280 1.00 0.00 C ATOM 274 OH TYR A 37 2.635 -10.757 0.828 1.00 0.00 O ATOM 0 H TYR A 37 4.923 -4.542 4.688 1.00 0.00 H new ATOM 0 HA TYR A 37 5.032 -5.241 1.837 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.655 -5.380 3.731 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.377 -4.787 2.105 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.931 -6.451 0.362 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.889 -7.557 3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.752 -8.836 -0.469 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.714 -9.936 3.091 1.00 0.00 H new ATOM 0 HH TYR A 37 1.988 -10.798 0.093 1.00 0.00 H new ATOM 275 N SER A 38 5.080 -2.834 1.519 1.00 0.00 N ATOM 276 CA SER A 38 5.103 -1.405 1.257 1.00 0.00 C ATOM 277 C SER A 38 5.586 -1.143 -0.171 1.00 0.00 C ATOM 278 O SER A 38 5.690 -2.068 -0.977 1.00 0.00 O ATOM 279 CB SER A 38 5.995 -0.674 2.261 1.00 0.00 C ATOM 280 OG SER A 38 7.368 -1.016 2.105 1.00 0.00 O ATOM 0 H SER A 38 5.644 -3.394 0.879 1.00 0.00 H new ATOM 0 HA SER A 38 4.089 -1.021 1.368 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.873 0.402 2.137 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.674 -0.916 3.274 1.00 0.00 H new ATOM 0 HG SER A 38 7.904 -0.527 2.764 1.00 0.00 H new ATOM 281 N GLY A 39 5.868 0.123 -0.444 1.00 0.00 N ATOM 282 CA GLY A 39 6.340 0.518 -1.760 1.00 0.00 C ATOM 283 C GLY A 39 5.224 1.196 -2.560 1.00 0.00 C ATOM 284 O GLY A 39 5.033 0.900 -3.739 1.00 0.00 O ATOM 0 H GLY A 39 5.778 0.888 0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.185 1.199 -1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.699 -0.358 -2.300 1.00 0.00 H new ATOM 285 N ASP A 40 4.516 2.091 -1.887 1.00 0.00 N ATOM 286 CA ASP A 40 3.426 2.813 -2.521 1.00 0.00 C ATOM 287 C ASP A 40 2.675 1.869 -3.462 1.00 0.00 C ATOM 288 O ASP A 40 2.419 2.211 -4.615 1.00 0.00 O ATOM 289 CB ASP A 40 3.950 3.988 -3.347 1.00 0.00 C ATOM 290 CG ASP A 40 4.430 5.189 -2.531 1.00 0.00 C ATOM 291 OD1 ASP A 40 4.633 5.095 -1.312 1.00 0.00 O ATOM 292 OD2 ASP A 40 4.598 6.276 -3.207 1.00 0.00 O ATOM 0 H ASP A 40 4.676 2.333 -0.909 1.00 0.00 H new ATOM 0 HA ASP A 40 2.769 3.190 -1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.774 3.637 -3.968 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.161 4.319 -4.022 1.00 0.00 H new ATOM 293 N ARG A 41 2.345 0.699 -2.936 1.00 0.00 N ATOM 294 CA ARG A 41 1.628 -0.296 -3.716 1.00 0.00 C ATOM 295 C ARG A 41 1.492 -1.596 -2.920 1.00 0.00 C ATOM 296 O ARG A 41 0.523 -2.334 -3.090 1.00 0.00 O ATOM 297 CB ARG A 41 2.348 -0.586 -5.034 1.00 0.00 C ATOM 298 CG ARG A 41 1.690 -1.751 -5.775 1.00 0.00 C ATOM 299 CD ARG A 41 2.454 -2.089 -7.057 1.00 0.00 C ATOM 300 NE ARG A 41 1.849 -1.382 -8.206 1.00 0.00 N ATOM 301 CZ ARG A 41 2.421 -0.334 -8.837 1.00 0.00 C ATOM 302 NH1 ARG A 41 3.231 -0.562 -9.854 1.00 0.00 N ATOM 303 NH2 ARG A 41 2.169 0.930 -8.434 1.00 0.00 N ATOM 0 H ARG A 41 2.561 0.417 -1.980 1.00 0.00 H new ATOM 0 HA ARG A 41 0.639 0.105 -3.937 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.334 0.304 -5.663 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.394 -0.821 -4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.656 -2.626 -5.126 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.659 -1.495 -6.019 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.501 -1.803 -6.953 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.434 -3.165 -7.230 1.00 0.00 H new ATOM 0 HE ARG A 41 0.943 -1.706 -8.543 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.417 -1.519 -10.153 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.671 0.219 -10.341 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.542 1.099 -7.647 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.605 1.716 -8.916 1.00 0.00 H new ATOM 304 N CYS A 42 2.478 -1.838 -2.069 1.00 0.00 N ATOM 305 CA CYS A 42 2.481 -3.035 -1.247 1.00 0.00 C ATOM 306 C CYS A 42 3.062 -4.184 -2.074 1.00 0.00 C ATOM 307 O CYS A 42 2.837 -5.352 -1.762 1.00 0.00 O ATOM 308 CB CYS A 42 1.083 -3.362 -0.719 1.00 0.00 C ATOM 309 SG CYS A 42 0.020 -1.906 -0.410 1.00 0.00 S ATOM 0 H CYS A 42 3.281 -1.224 -1.931 1.00 0.00 H new ATOM 0 HA CYS A 42 3.102 -2.873 -0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.583 -4.014 -1.435 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.183 -3.925 0.209 1.00 0.00 H new ATOM 310 N GLN A 43 3.795 -3.811 -3.111 1.00 0.00 N ATOM 311 CA GLN A 43 4.410 -4.797 -3.987 1.00 0.00 C ATOM 312 C GLN A 43 5.740 -5.272 -3.398 1.00 0.00 C ATOM 313 O GLN A 43 6.219 -6.354 -3.732 1.00 0.00 O ATOM 314 CB GLN A 43 4.604 -4.233 -5.396 1.00 0.00 C ATOM 315 CG GLN A 43 5.948 -4.673 -5.981 1.00 0.00 C ATOM 316 CD GLN A 43 7.089 -3.804 -5.446 1.00 0.00 C ATOM 317 OE1 GLN A 43 6.694 -2.842 -4.618 1.00 0.00 O flip ATOM 318 NE2 GLN A 43 8.250 -3.996 -5.765 1.00 0.00 N flip ATOM 0 H GLN A 43 3.978 -2.841 -3.366 1.00 0.00 H new ATOM 0 HA GLN A 43 3.742 -5.655 -4.064 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.794 -4.571 -6.042 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.555 -3.145 -5.366 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.133 -5.718 -5.731 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.915 -4.607 -7.068 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.484 -4.754 -6.406 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.987 -3.399 -5.391 1.00 0.00 H new ATOM 319 N THR A 44 6.299 -4.439 -2.531 1.00 0.00 N ATOM 320 CA THR A 44 7.564 -4.761 -1.894 1.00 0.00 C ATOM 321 C THR A 44 7.323 -5.461 -0.554 1.00 0.00 C ATOM 322 O THR A 44 6.599 -4.948 0.296 1.00 0.00 O ATOM 323 CB THR A 44 8.373 -3.468 -1.766 1.00 0.00 C ATOM 324 OG1 THR A 44 8.896 -3.256 -3.074 1.00 0.00 O ATOM 325 CG2 THR A 44 9.614 -3.637 -0.889 1.00 0.00 C ATOM 0 H THR A 44 5.899 -3.542 -2.255 1.00 0.00 H new ATOM 0 HA THR A 44 8.141 -5.464 -2.495 1.00 0.00 H new ATOM 0 HB THR A 44 7.741 -2.684 -1.350 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.253 -2.739 -3.604 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.151 -2.690 -0.832 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.313 -3.944 0.113 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.264 -4.397 -1.321 1.00 0.00 H new ATOM 326 N ARG A 45 7.944 -6.622 -0.409 1.00 0.00 N ATOM 327 CA ARG A 45 7.809 -7.397 0.811 1.00 0.00 C ATOM 328 C ARG A 45 8.969 -7.099 1.763 1.00 0.00 C ATOM 329 O ARG A 45 10.072 -7.610 1.580 1.00 0.00 O ATOM 330 CB ARG A 45 7.775 -8.896 0.512 1.00 0.00 C ATOM 331 CG ARG A 45 6.355 -9.358 0.180 1.00 0.00 C ATOM 332 CD ARG A 45 6.328 -10.848 -0.166 1.00 0.00 C ATOM 333 NE ARG A 45 6.680 -11.042 -1.591 1.00 0.00 N ATOM 334 CZ ARG A 45 6.320 -12.120 -2.318 1.00 0.00 C ATOM 335 NH1 ARG A 45 7.092 -13.227 -2.331 1.00 0.00 N ATOM 336 NH2 ARG A 45 5.200 -12.076 -3.017 1.00 0.00 N ATOM 0 H ARG A 45 8.543 -7.045 -1.118 1.00 0.00 H new ATOM 0 HA ARG A 45 6.868 -7.111 1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.438 -9.119 -0.324 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.150 -9.450 1.372 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.699 -9.167 1.029 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.968 -8.780 -0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.030 -11.390 0.468 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.338 -11.258 0.032 1.00 0.00 H new ATOM 0 HE ARG A 45 7.229 -10.316 -2.052 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.955 -13.253 -1.788 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.812 -14.037 -2.883 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.622 -11.236 -3.002 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.913 -12.882 -3.572 1.00 0.00 H new ATOM 337 N ASP A 46 8.680 -6.275 2.758 1.00 0.00 N ATOM 338 CA ASP A 46 9.687 -5.903 3.739 1.00 0.00 C ATOM 339 C ASP A 46 10.112 -7.146 4.523 1.00 0.00 C ATOM 340 O ASP A 46 11.287 -7.306 4.850 1.00 0.00 O ATOM 341 CB ASP A 46 9.135 -4.881 4.736 1.00 0.00 C ATOM 342 CG ASP A 46 9.891 -3.552 4.784 1.00 0.00 C ATOM 343 OD1 ASP A 46 11.030 -3.594 5.388 1.00 0.00 O ATOM 344 OD2 ASP A 46 9.415 -2.528 4.271 1.00 0.00 O ATOM 0 H ASP A 46 7.763 -5.854 2.907 1.00 0.00 H new ATOM 0 HA ASP A 46 10.532 -5.466 3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.093 -4.680 4.488 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.146 -5.324 5.732 1.00 0.00 H new ATOM 345 N LEU A 47 9.132 -7.993 4.804 1.00 0.00 N ATOM 346 CA LEU A 47 9.390 -9.217 5.543 1.00 0.00 C ATOM 347 C LEU A 47 10.426 -8.939 6.635 1.00 0.00 C ATOM 348 O LEU A 47 11.610 -9.224 6.458 1.00 0.00 O ATOM 349 CB LEU A 47 9.789 -10.346 4.590 1.00 0.00 C ATOM 350 CG LEU A 47 9.134 -11.704 4.847 1.00 0.00 C ATOM 351 CD1 LEU A 47 9.284 -12.116 6.313 1.00 0.00 C ATOM 352 CD2 LEU A 47 7.670 -11.701 4.400 1.00 0.00 C ATOM 0 H LEU A 47 8.158 -7.855 4.533 1.00 0.00 H new ATOM 0 HA LEU A 47 8.483 -9.559 6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.551 -10.037 3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.871 -10.471 4.640 1.00 0.00 H new ATOM 0 HG LEU A 47 9.652 -12.452 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.810 -13.085 6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 47 10.342 -12.185 6.565 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.807 -11.372 6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.228 -12.678 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.122 -10.939 4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.616 -11.484 3.333 1.00 0.00 H new ATOM 353 N ARG A 48 9.943 -8.386 7.737 1.00 0.00 N ATOM 354 CA ARG A 48 10.812 -8.067 8.856 1.00 0.00 C ATOM 355 C ARG A 48 9.982 -7.808 10.115 1.00 0.00 C ATOM 356 O ARG A 48 10.371 -7.007 10.965 1.00 0.00 O ATOM 357 CB ARG A 48 11.669 -6.836 8.555 1.00 0.00 C ATOM 358 CG ARG A 48 12.991 -6.887 9.322 1.00 0.00 C ATOM 359 CD ARG A 48 13.800 -5.607 9.106 1.00 0.00 C ATOM 360 NE ARG A 48 14.395 -5.607 7.750 1.00 0.00 N ATOM 361 CZ ARG A 48 15.115 -4.586 7.239 1.00 0.00 C ATOM 362 NH1 ARG A 48 14.500 -3.568 6.597 1.00 0.00 N ATOM 363 NH2 ARG A 48 16.428 -4.595 7.377 1.00 0.00 N ATOM 0 H ARG A 48 8.961 -8.151 7.879 1.00 0.00 H new ATOM 0 HA ARG A 48 11.469 -8.921 9.020 1.00 0.00 H new ATOM 0 HB2 ARG A 48 11.867 -6.780 7.485 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.122 -5.933 8.826 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.794 -7.021 10.385 1.00 0.00 H new ATOM 0 HG3 ARG A 48 13.573 -7.749 8.994 1.00 0.00 H new ATOM 0 HD2 ARG A 48 13.157 -4.735 9.230 1.00 0.00 H new ATOM 0 HD3 ARG A 48 14.586 -5.533 9.857 1.00 0.00 H new ATOM 0 HE ARG A 48 14.252 -6.430 7.165 1.00 0.00 H new ATOM 0 HH11 ARG A 48 13.485 -3.568 6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 48 15.051 -2.800 6.214 1.00 0.00 H new ATOM 0 HH21 ARG A 48 16.884 -5.366 7.864 1.00 0.00 H new ATOM 0 HH22 ARG A 48 16.986 -3.831 6.996 1.00 0.00 H new ATOM 364 N TRP A 49 8.855 -8.497 10.195 1.00 0.00 N ATOM 365 CA TRP A 49 7.967 -8.353 11.336 1.00 0.00 C ATOM 366 C TRP A 49 7.636 -9.751 11.860 1.00 0.00 C ATOM 367 O TRP A 49 6.772 -9.907 12.722 1.00 0.00 O ATOM 368 CB TRP A 49 6.724 -7.543 10.962 1.00 0.00 C ATOM 369 CG TRP A 49 6.042 -6.866 12.152 1.00 0.00 C ATOM 370 CD1 TRP A 49 6.245 -5.630 12.625 1.00 0.00 C ATOM 371 CD2 TRP A 49 5.030 -7.442 13.006 1.00 0.00 C ATOM 372 NE1 TRP A 49 5.442 -5.366 13.717 1.00 0.00 N ATOM 373 CE2 TRP A 49 4.679 -6.503 13.957 1.00 0.00 C ATOM 374 CE3 TRP A 49 4.430 -8.713 12.977 1.00 0.00 C ATOM 375 CZ2 TRP A 49 3.719 -6.738 14.947 1.00 0.00 C ATOM 376 CZ3 TRP A 49 3.472 -8.930 13.975 1.00 0.00 C ATOM 377 CH2 TRP A 49 3.108 -7.997 14.938 1.00 0.00 C ATOM 0 H TRP A 49 8.535 -9.158 9.487 1.00 0.00 H new ATOM 0 HA TRP A 49 8.452 -7.791 12.134 1.00 0.00 H new ATOM 0 HB2 TRP A 49 7.005 -6.781 10.235 1.00 0.00 H new ATOM 0 HB3 TRP A 49 6.007 -8.202 10.472 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.949 -4.927 12.205 1.00 0.00 H new ATOM 0 HE1 TRP A 49 5.414 -4.497 14.250 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.687 -9.463 12.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 3.463 -5.987 15.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.981 -9.892 13.998 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.358 -8.242 15.675 1.00 0.00 H new ATOM 378 N TRP A 50 8.340 -10.732 11.318 1.00 0.00 N ATOM 379 CA TRP A 50 8.133 -12.113 11.720 1.00 0.00 C ATOM 380 C TRP A 50 9.502 -12.793 11.806 1.00 0.00 C ATOM 381 O TRP A 50 9.823 -13.429 12.808 1.00 0.00 O ATOM 382 CB TRP A 50 7.173 -12.825 10.766 1.00 0.00 C ATOM 383 CG TRP A 50 6.589 -11.915 9.681 1.00 0.00 C ATOM 384 CD1 TRP A 50 7.245 -11.095 8.851 1.00 0.00 C ATOM 385 CD2 TRP A 50 5.192 -11.771 9.340 1.00 0.00 C ATOM 386 NE1 TRP A 50 6.380 -10.432 8.004 1.00 0.00 N ATOM 387 CE2 TRP A 50 5.092 -10.858 8.311 1.00 0.00 C ATOM 388 CE3 TRP A 50 4.056 -12.392 9.883 1.00 0.00 C ATOM 389 CZ2 TRP A 50 3.872 -10.483 7.737 1.00 0.00 C ATOM 390 CZ3 TRP A 50 2.842 -12.006 9.298 1.00 0.00 C ATOM 391 CH2 TRP A 50 2.724 -11.088 8.261 1.00 0.00 C ATOM 0 H TRP A 50 9.055 -10.599 10.603 1.00 0.00 H new ATOM 0 HA TRP A 50 7.658 -12.160 12.700 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.698 -13.653 10.289 1.00 0.00 H new ATOM 0 HB3 TRP A 50 6.355 -13.256 11.344 1.00 0.00 H new ATOM 0 HD1 TRP A 50 8.317 -10.968 8.845 1.00 0.00 H new ATOM 0 HE1 TRP A 50 6.638 -9.755 7.286 1.00 0.00 H new ATOM 0 HE3 TRP A 50 4.113 -13.110 10.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.819 -9.765 6.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.936 -12.453 9.679 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.751 -10.843 7.862 1.00 0.00 H new ATOM 392 N GLU A 51 10.274 -12.634 10.740 1.00 0.00 N ATOM 393 CA GLU A 51 11.599 -13.224 10.681 1.00 0.00 C ATOM 394 C GLU A 51 12.655 -12.200 11.102 1.00 0.00 C ATOM 395 O GLU A 51 12.544 -11.019 10.779 1.00 0.00 O ATOM 396 CB GLU A 51 11.896 -13.772 9.284 1.00 0.00 C ATOM 397 CG GLU A 51 10.756 -14.668 8.794 1.00 0.00 C ATOM 398 CD GLU A 51 11.201 -15.519 7.601 1.00 0.00 C ATOM 399 OE1 GLU A 51 11.107 -15.068 6.451 1.00 0.00 O ATOM 400 OE2 GLU A 51 11.658 -16.685 7.906 1.00 0.00 O ATOM 0 H GLU A 51 10.006 -12.104 9.910 1.00 0.00 H new ATOM 0 HA GLU A 51 11.632 -14.061 11.378 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.039 -12.946 8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.827 -14.339 9.302 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.425 -15.317 9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.902 -14.053 8.509 1.00 0.00 H new ATOM 401 N LEU A 52 13.656 -12.690 11.820 1.00 0.00 N ATOM 402 CA LEU A 52 14.729 -11.831 12.290 1.00 0.00 C ATOM 403 C LEU A 52 16.069 -12.390 11.808 1.00 0.00 C ATOM 404 O LEU A 52 16.902 -12.801 12.616 1.00 0.00 O ATOM 405 CB LEU A 52 14.648 -11.652 13.807 1.00 0.00 C ATOM 406 CG LEU A 52 14.744 -12.931 14.640 1.00 0.00 C ATOM 407 CD1 LEU A 52 15.735 -12.762 15.792 1.00 0.00 C ATOM 408 CD2 LEU A 52 13.363 -13.371 15.131 1.00 0.00 C ATOM 0 H LEU A 52 13.746 -13.670 12.087 1.00 0.00 H new ATOM 0 HA LEU A 52 14.629 -10.830 11.869 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.448 -10.980 14.117 1.00 0.00 H new ATOM 0 HB3 LEU A 52 13.706 -11.157 14.045 1.00 0.00 H new ATOM 0 HG LEU A 52 15.127 -13.727 14.001 1.00 0.00 H new ATOM 0 HD11 LEU A 52 15.784 -13.686 16.368 1.00 0.00 H new ATOM 0 HD12 LEU A 52 16.722 -12.531 15.392 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.406 -11.948 16.438 1.00 0.00 H new ATOM 0 HD21 LEU A 52 13.460 -14.283 15.721 1.00 0.00 H new ATOM 0 HD22 LEU A 52 12.929 -12.584 15.748 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.716 -13.560 14.275 1.00 0.00 H new ATOM 409 N ARG A 53 16.238 -12.389 10.494 1.00 0.00 N ATOM 410 CA ARG A 53 17.464 -12.889 9.895 1.00 0.00 C ATOM 411 C ARG A 53 18.652 -12.018 10.307 1.00 0.00 C ATOM 412 O ARG A 53 19.769 -12.511 10.449 1.00 0.00 O ATOM 413 CB ARG A 53 17.361 -12.913 8.369 1.00 0.00 C ATOM 414 CG ARG A 53 17.477 -11.502 7.791 1.00 0.00 C ATOM 415 CD ARG A 53 17.135 -11.490 6.299 1.00 0.00 C ATOM 416 NE ARG A 53 17.275 -10.120 5.758 1.00 0.00 N ATOM 417 CZ ARG A 53 16.245 -9.265 5.590 1.00 0.00 C ATOM 418 NH1 ARG A 53 15.517 -9.283 4.453 1.00 0.00 N ATOM 419 NH2 ARG A 53 15.958 -8.410 6.555 1.00 0.00 N ATOM 420 OXT ARG A 53 18.376 -10.770 10.484 1.00 0.00 O ATOM 0 H ARG A 53 15.545 -12.049 9.827 1.00 0.00 H new ATOM 0 HA ARG A 53 17.616 -13.907 10.253 1.00 0.00 H new ATOM 0 HB2 ARG A 53 18.148 -13.545 7.957 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.410 -13.355 8.072 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.807 -10.830 8.327 1.00 0.00 H new ATOM 0 HG3 ARG A 53 18.490 -11.127 7.939 1.00 0.00 H new ATOM 0 HD2 ARG A 53 17.794 -12.171 5.761 1.00 0.00 H new ATOM 0 HD3 ARG A 53 16.116 -11.847 6.148 1.00 0.00 H new ATOM 0 HE ARG A 53 18.208 -9.802 5.496 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.744 -9.947 3.712 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.740 -8.633 4.335 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.512 -8.403 7.411 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.182 -7.757 6.444 1.00 0.00 H new TER 421 ARG A 53