USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=15 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 21 MET CE :methyl -178:sc= -6.5! (180deg=-6.71!) USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 ASN N :NH3+ -111:sc= 0.154 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 174:sc= 1.26 USER MOD Single : A 13 TYR OH : rot -140:sc= 0.00521 USER MOD Single : A 16 ASN : amide:sc= -1.86! K(o=-1.9!,f=-1.1) USER MOD Single : A 22 HIS : no HD1:sc= -12.3! C(o=-12!,f=-6.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.604 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 75:sc= 0.53 USER MOD Single : A 32 ASN : amide:sc=-0.000671 K(o=-0.00067,f=-1.5) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.741 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -2.96! K(o=-3!,f=-0.21) USER MOD Single : A 44 THR OG1 : rot 102:sc= 0.669 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -1.394 15.027 1.726 1.00 0.00 N ATOM 2 CA ASN A 1 -2.540 14.521 2.462 1.00 0.00 C ATOM 3 C ASN A 1 -2.967 13.176 1.871 1.00 0.00 C ATOM 4 O ASN A 1 -2.588 12.838 0.751 1.00 0.00 O ATOM 5 CB ASN A 1 -3.728 15.480 2.360 1.00 0.00 C ATOM 6 CG ASN A 1 -3.544 16.680 3.295 1.00 0.00 C ATOM 7 OD1 ASN A 1 -3.757 16.604 4.492 1.00 0.00 O ATOM 8 ND2 ASN A 1 -3.139 17.786 2.678 1.00 0.00 N ATOM 0 H1 ASN A 1 -0.551 15.000 2.334 1.00 0.00 H new ATOM 0 H2 ASN A 1 -1.233 14.437 0.885 1.00 0.00 H new ATOM 0 H3 ASN A 1 -1.576 16.007 1.431 1.00 0.00 H new ATOM 0 HA ASN A 1 -2.249 14.417 3.507 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -3.833 15.827 1.332 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -4.648 14.954 2.614 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -2.988 18.642 3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -2.979 17.779 1.671 1.00 0.00 H new ATOM 9 N SER A 2 -3.751 12.444 2.650 1.00 0.00 N ATOM 10 CA SER A 2 -4.232 11.144 2.219 1.00 0.00 C ATOM 11 C SER A 2 -5.754 11.181 2.045 1.00 0.00 C ATOM 12 O SER A 2 -6.476 11.575 2.961 1.00 0.00 O ATOM 13 CB SER A 2 -3.838 10.051 3.212 1.00 0.00 C ATOM 14 OG SER A 2 -2.487 9.633 3.038 1.00 0.00 O ATOM 0 H SER A 2 -4.065 12.728 3.578 1.00 0.00 H new ATOM 0 HA SER A 2 -3.767 10.909 1.261 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.976 10.418 4.229 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.501 9.194 3.090 1.00 0.00 H new ATOM 0 HG SER A 2 -2.274 8.935 3.692 1.00 0.00 H new ATOM 15 N TYR A 3 -6.193 10.765 0.867 1.00 0.00 N ATOM 16 CA TYR A 3 -7.615 10.746 0.563 1.00 0.00 C ATOM 17 C TYR A 3 -8.020 9.416 -0.076 1.00 0.00 C ATOM 18 O TYR A 3 -7.289 8.871 -0.901 1.00 0.00 O ATOM 19 CB TYR A 3 -7.844 11.874 -0.443 1.00 0.00 C ATOM 20 CG TYR A 3 -9.235 11.861 -1.083 1.00 0.00 C ATOM 21 CD1 TYR A 3 -10.281 12.525 -0.473 1.00 0.00 C ATOM 22 CD2 TYR A 3 -9.445 11.188 -2.269 1.00 0.00 C ATOM 23 CE1 TYR A 3 -11.590 12.514 -1.075 1.00 0.00 C ATOM 24 CE2 TYR A 3 -10.752 11.176 -2.870 1.00 0.00 C ATOM 25 CZ TYR A 3 -11.761 11.840 -2.244 1.00 0.00 C ATOM 26 OH TYR A 3 -12.996 11.829 -2.811 1.00 0.00 O ATOM 0 H TYR A 3 -5.591 10.439 0.111 1.00 0.00 H new ATOM 0 HA TYR A 3 -8.205 10.870 1.471 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -7.694 12.830 0.058 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.092 11.805 -1.229 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -10.118 13.052 0.455 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.627 10.669 -2.747 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.417 13.029 -0.609 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -10.928 10.652 -3.798 1.00 0.00 H new ATOM 0 HH TYR A 3 -12.970 11.311 -3.642 1.00 0.00 H new ATOM 27 N PRO A 4 -9.216 8.920 0.341 1.00 0.00 N ATOM 28 CA PRO A 4 -9.728 7.665 -0.182 1.00 0.00 C ATOM 29 C PRO A 4 -10.256 7.839 -1.607 1.00 0.00 C ATOM 30 O PRO A 4 -11.199 8.597 -1.834 1.00 0.00 O ATOM 31 CB PRO A 4 -10.803 7.238 0.803 1.00 0.00 C ATOM 32 CG PRO A 4 -11.177 8.489 1.582 1.00 0.00 C ATOM 33 CD PRO A 4 -10.108 9.538 1.316 1.00 0.00 C ATOM 0 HA PRO A 4 -8.957 6.899 -0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -11.669 6.829 0.283 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.434 6.459 1.470 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.156 8.854 1.272 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.241 8.271 2.648 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.544 10.458 0.926 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -9.575 9.800 2.230 1.00 0.00 H new ATOM 34 N GLY A 5 -9.628 7.125 -2.529 1.00 0.00 N ATOM 35 CA GLY A 5 -10.023 7.193 -3.926 1.00 0.00 C ATOM 36 C GLY A 5 -9.220 6.202 -4.771 1.00 0.00 C ATOM 37 O GLY A 5 -8.079 5.883 -4.441 1.00 0.00 O ATOM 0 H GLY A 5 -8.848 6.496 -2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.087 6.976 -4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.870 8.205 -4.302 1.00 0.00 H new ATOM 38 N CYS A 6 -9.849 5.743 -5.845 1.00 0.00 N ATOM 39 CA CYS A 6 -9.205 4.796 -6.739 1.00 0.00 C ATOM 40 C CYS A 6 -10.101 4.611 -7.966 1.00 0.00 C ATOM 41 O CYS A 6 -11.084 3.874 -7.915 1.00 0.00 O ATOM 42 CB CYS A 6 -8.913 3.466 -6.040 1.00 0.00 C ATOM 43 SG CYS A 6 -10.069 3.038 -4.690 1.00 0.00 S ATOM 0 H CYS A 6 -10.796 6.009 -6.115 1.00 0.00 H new ATOM 0 HA CYS A 6 -8.237 5.187 -7.051 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.934 2.669 -6.783 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.901 3.499 -5.636 1.00 0.00 H new ATOM 44 N PRO A 7 -9.719 5.311 -9.069 1.00 0.00 N ATOM 45 CA PRO A 7 -10.476 5.230 -10.306 1.00 0.00 C ATOM 46 C PRO A 7 -10.222 3.901 -11.019 1.00 0.00 C ATOM 47 O PRO A 7 -9.470 3.062 -10.525 1.00 0.00 O ATOM 48 CB PRO A 7 -10.031 6.434 -11.119 1.00 0.00 C ATOM 49 CG PRO A 7 -8.712 6.882 -10.510 1.00 0.00 C ATOM 50 CD PRO A 7 -8.559 6.193 -9.165 1.00 0.00 C ATOM 0 HA PRO A 7 -11.553 5.253 -10.142 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -9.907 6.172 -12.170 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.773 7.231 -11.075 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.882 6.624 -11.167 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.697 7.965 -10.387 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.627 5.630 -9.112 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.542 6.916 -8.349 1.00 0.00 H new ATOM 51 N SER A 8 -10.864 3.750 -12.167 1.00 0.00 N ATOM 52 CA SER A 8 -10.718 2.537 -12.954 1.00 0.00 C ATOM 53 C SER A 8 -9.496 2.651 -13.869 1.00 0.00 C ATOM 54 O SER A 8 -9.326 1.848 -14.784 1.00 0.00 O ATOM 55 CB SER A 8 -11.975 2.260 -13.780 1.00 0.00 C ATOM 56 OG SER A 8 -12.215 3.280 -14.746 1.00 0.00 O ATOM 0 H SER A 8 -11.488 4.448 -12.572 1.00 0.00 H new ATOM 0 HA SER A 8 -10.575 1.701 -12.269 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.873 1.299 -14.285 1.00 0.00 H new ATOM 0 HB3 SER A 8 -12.835 2.181 -13.115 1.00 0.00 H new ATOM 0 HG SER A 8 -13.025 3.065 -15.254 1.00 0.00 H new ATOM 57 N SER A 9 -8.679 3.655 -13.589 1.00 0.00 N ATOM 58 CA SER A 9 -7.478 3.886 -14.376 1.00 0.00 C ATOM 59 C SER A 9 -6.477 2.754 -14.142 1.00 0.00 C ATOM 60 O SER A 9 -5.932 2.196 -15.094 1.00 0.00 O ATOM 61 CB SER A 9 -6.845 5.236 -14.032 1.00 0.00 C ATOM 62 OG SER A 9 -7.744 6.318 -14.253 1.00 0.00 O ATOM 0 H SER A 9 -8.824 4.319 -12.828 1.00 0.00 H new ATOM 0 HA SER A 9 -7.756 3.905 -15.430 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.530 5.233 -12.988 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.949 5.380 -14.635 1.00 0.00 H new ATOM 0 HG SER A 9 -7.304 7.162 -14.020 1.00 0.00 H new ATOM 63 N TYR A 10 -6.262 2.448 -12.872 1.00 0.00 N ATOM 64 CA TYR A 10 -5.335 1.392 -12.501 1.00 0.00 C ATOM 65 C TYR A 10 -6.076 0.086 -12.209 1.00 0.00 C ATOM 66 O TYR A 10 -5.822 -0.933 -12.847 1.00 0.00 O ATOM 67 CB TYR A 10 -4.642 1.868 -11.223 1.00 0.00 C ATOM 68 CG TYR A 10 -4.227 3.340 -11.252 1.00 0.00 C ATOM 69 CD1 TYR A 10 -3.103 3.728 -11.954 1.00 0.00 C ATOM 70 CD2 TYR A 10 -4.976 4.282 -10.576 1.00 0.00 C ATOM 71 CE1 TYR A 10 -2.713 5.114 -11.981 1.00 0.00 C ATOM 72 CE2 TYR A 10 -4.584 5.667 -10.603 1.00 0.00 C ATOM 73 CZ TYR A 10 -3.473 6.014 -11.304 1.00 0.00 C ATOM 74 OH TYR A 10 -3.104 7.323 -11.330 1.00 0.00 O ATOM 0 H TYR A 10 -6.714 2.913 -12.085 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.632 1.199 -13.311 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.311 1.706 -10.377 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.757 1.255 -11.052 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.516 2.992 -12.483 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.856 3.980 -10.027 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.837 5.431 -12.527 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.160 6.414 -10.077 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.792 7.865 -10.890 1.00 0.00 H new ATOM 75 N ASP A 11 -6.981 0.160 -11.243 1.00 0.00 N ATOM 76 CA ASP A 11 -7.762 -1.001 -10.858 1.00 0.00 C ATOM 77 C ASP A 11 -6.820 -2.116 -10.399 1.00 0.00 C ATOM 78 O ASP A 11 -6.551 -3.054 -11.148 1.00 0.00 O ATOM 79 CB ASP A 11 -8.581 -1.530 -12.038 1.00 0.00 C ATOM 80 CG ASP A 11 -9.862 -0.751 -12.337 1.00 0.00 C ATOM 81 OD1 ASP A 11 -10.803 -0.891 -11.465 1.00 0.00 O ATOM 82 OD2 ASP A 11 -9.959 -0.045 -13.351 1.00 0.00 O ATOM 0 H ASP A 11 -7.190 1.008 -10.716 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.436 -0.702 -10.056 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.953 -1.523 -12.929 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -8.843 -2.570 -11.842 1.00 0.00 H new ATOM 83 N GLY A 12 -6.342 -1.975 -9.171 1.00 0.00 N ATOM 84 CA GLY A 12 -5.435 -2.958 -8.604 1.00 0.00 C ATOM 85 C GLY A 12 -4.137 -2.299 -8.135 1.00 0.00 C ATOM 86 O GLY A 12 -3.051 -2.846 -8.328 1.00 0.00 O ATOM 0 H GLY A 12 -6.566 -1.195 -8.553 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.916 -3.460 -7.765 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.211 -3.723 -9.348 1.00 0.00 H new ATOM 87 N TYR A 13 -4.289 -1.131 -7.527 1.00 0.00 N ATOM 88 CA TYR A 13 -3.142 -0.390 -7.028 1.00 0.00 C ATOM 89 C TYR A 13 -2.788 -0.822 -5.603 1.00 0.00 C ATOM 90 O TYR A 13 -2.116 -0.090 -4.879 1.00 0.00 O ATOM 91 CB TYR A 13 -3.563 1.080 -7.015 1.00 0.00 C ATOM 92 CG TYR A 13 -2.432 2.054 -7.355 1.00 0.00 C ATOM 93 CD1 TYR A 13 -2.190 2.397 -8.669 1.00 0.00 C ATOM 94 CD2 TYR A 13 -1.656 2.588 -6.347 1.00 0.00 C ATOM 95 CE1 TYR A 13 -1.126 3.314 -8.990 1.00 0.00 C ATOM 96 CE2 TYR A 13 -0.592 3.505 -6.667 1.00 0.00 C ATOM 97 CZ TYR A 13 -0.380 3.823 -7.973 1.00 0.00 C ATOM 98 OH TYR A 13 0.624 4.688 -8.276 1.00 0.00 O ATOM 0 H TYR A 13 -5.190 -0.679 -7.369 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.268 -0.568 -7.654 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.376 1.221 -7.727 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.956 1.326 -6.029 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.798 1.978 -9.457 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.846 2.319 -5.319 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.925 3.591 -10.014 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.023 3.930 -5.888 1.00 0.00 H new ATOM 0 HH TYR A 13 1.403 4.494 -7.714 1.00 0.00 H new ATOM 99 N CYS A 14 -3.257 -2.008 -5.244 1.00 0.00 N ATOM 100 CA CYS A 14 -3.000 -2.544 -3.919 1.00 0.00 C ATOM 101 C CYS A 14 -2.720 -4.044 -4.054 1.00 0.00 C ATOM 102 O CYS A 14 -3.442 -4.752 -4.756 1.00 0.00 O ATOM 103 CB CYS A 14 -4.158 -2.264 -2.961 1.00 0.00 C ATOM 104 SG CYS A 14 -5.261 -0.896 -3.468 1.00 0.00 S ATOM 0 H CYS A 14 -3.814 -2.613 -5.848 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.130 -2.050 -3.486 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.753 -3.172 -2.857 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.749 -2.036 -1.976 1.00 0.00 H new ATOM 105 N LEU A 15 -1.673 -4.483 -3.370 1.00 0.00 N ATOM 106 CA LEU A 15 -1.291 -5.883 -3.405 1.00 0.00 C ATOM 107 C LEU A 15 -0.794 -6.306 -2.022 1.00 0.00 C ATOM 108 O LEU A 15 -0.665 -5.475 -1.124 1.00 0.00 O ATOM 109 CB LEU A 15 -0.280 -6.136 -4.525 1.00 0.00 C ATOM 110 CG LEU A 15 -0.524 -5.377 -5.832 1.00 0.00 C ATOM 111 CD1 LEU A 15 0.781 -5.195 -6.611 1.00 0.00 C ATOM 112 CD2 LEU A 15 -1.602 -6.062 -6.671 1.00 0.00 C ATOM 0 H LEU A 15 -1.078 -3.893 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.154 -6.507 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.713 -5.877 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.270 -7.204 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.894 -4.382 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.580 -4.653 -7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.490 -4.630 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.203 -6.172 -6.847 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.755 -5.502 -7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.286 -7.077 -6.911 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.535 -6.096 -6.108 1.00 0.00 H new ATOM 113 N ASN A 16 -0.529 -7.598 -1.892 1.00 0.00 N ATOM 114 CA ASN A 16 -0.049 -8.142 -0.632 1.00 0.00 C ATOM 115 C ASN A 16 -0.822 -7.499 0.523 1.00 0.00 C ATOM 116 O ASN A 16 -0.223 -6.949 1.445 1.00 0.00 O ATOM 117 CB ASN A 16 1.437 -7.839 -0.432 1.00 0.00 C ATOM 118 CG ASN A 16 2.197 -7.926 -1.757 1.00 0.00 C ATOM 119 OD1 ASN A 16 1.948 -8.782 -2.591 1.00 0.00 O ATOM 120 ND2 ASN A 16 3.137 -6.996 -1.903 1.00 0.00 N ATOM 0 H ASN A 16 -0.638 -8.284 -2.639 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.198 -9.222 -0.652 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.555 -6.843 -0.006 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.863 -8.544 0.283 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.701 -6.970 -2.752 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.294 -6.309 -1.166 1.00 0.00 H new ATOM 121 N GLY A 17 -2.141 -7.591 0.433 1.00 0.00 N ATOM 122 CA GLY A 17 -3.001 -7.028 1.459 1.00 0.00 C ATOM 123 C GLY A 17 -2.833 -5.509 1.540 1.00 0.00 C ATOM 124 O GLY A 17 -2.168 -5.002 2.441 1.00 0.00 O ATOM 0 H GLY A 17 -2.634 -8.047 -0.335 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.041 -7.272 1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.764 -7.476 2.424 1.00 0.00 H new ATOM 125 N GLY A 18 -3.450 -4.826 0.587 1.00 0.00 N ATOM 126 CA GLY A 18 -3.378 -3.376 0.539 1.00 0.00 C ATOM 127 C GLY A 18 -4.735 -2.770 0.177 1.00 0.00 C ATOM 128 O GLY A 18 -5.384 -3.216 -0.769 1.00 0.00 O ATOM 0 H GLY A 18 -4.002 -5.250 -0.158 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.051 -2.993 1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.632 -3.070 -0.194 1.00 0.00 H new ATOM 129 N VAL A 19 -5.123 -1.763 0.944 1.00 0.00 N ATOM 130 CA VAL A 19 -6.391 -1.093 0.714 1.00 0.00 C ATOM 131 C VAL A 19 -6.181 0.067 -0.262 1.00 0.00 C ATOM 132 O VAL A 19 -5.046 0.421 -0.575 1.00 0.00 O ATOM 133 CB VAL A 19 -6.996 -0.648 2.048 1.00 0.00 C ATOM 134 CG1 VAL A 19 -6.743 0.840 2.298 1.00 0.00 C ATOM 135 CG2 VAL A 19 -8.492 -0.965 2.105 1.00 0.00 C ATOM 0 H VAL A 19 -4.581 -1.394 1.726 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.107 -1.777 0.258 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.503 -1.210 2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.184 1.129 3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.670 1.027 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.195 1.425 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.897 -0.639 3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.006 -0.443 1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.641 -2.039 1.995 1.00 0.00 H new ATOM 136 N CYS A 20 -7.293 0.626 -0.716 1.00 0.00 N ATOM 137 CA CYS A 20 -7.244 1.737 -1.651 1.00 0.00 C ATOM 138 C CYS A 20 -6.982 3.019 -0.858 1.00 0.00 C ATOM 139 O CYS A 20 -7.552 3.218 0.215 1.00 0.00 O ATOM 140 CB CYS A 20 -8.525 1.832 -2.483 1.00 0.00 C ATOM 141 SG CYS A 20 -8.839 3.474 -3.223 1.00 0.00 S ATOM 0 H CYS A 20 -8.233 0.330 -0.454 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.436 1.581 -2.365 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.478 1.092 -3.282 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.372 1.566 -1.851 1.00 0.00 H new ATOM 142 N MET A 21 -6.121 3.855 -1.417 1.00 0.00 N ATOM 143 CA MET A 21 -5.775 5.114 -0.777 1.00 0.00 C ATOM 144 C MET A 21 -5.163 6.091 -1.782 1.00 0.00 C ATOM 145 O MET A 21 -4.075 5.852 -2.301 1.00 0.00 O ATOM 146 CB MET A 21 -4.779 4.854 0.355 1.00 0.00 C ATOM 147 CG MET A 21 -5.407 5.150 1.718 1.00 0.00 C ATOM 148 SD MET A 21 -6.061 6.811 1.740 1.00 0.00 S ATOM 149 CE MET A 21 -4.626 7.716 1.183 1.00 0.00 C ATOM 0 H MET A 21 -5.652 3.686 -2.307 1.00 0.00 H new ATOM 0 HA MET A 21 -6.686 5.559 -0.377 1.00 0.00 H new ATOM 0 HB2 MET A 21 -4.448 3.816 0.321 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.895 5.476 0.216 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.203 4.434 1.924 1.00 0.00 H new ATOM 0 HG3 MET A 21 -4.661 5.033 2.504 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.850 8.783 1.173 1.00 0.00 H new ATOM 0 HE2 MET A 21 -3.792 7.527 1.858 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.359 7.392 0.177 1.00 0.00 H new ATOM 150 N HIS A 22 -5.890 7.172 -2.024 1.00 0.00 N ATOM 151 CA HIS A 22 -5.432 8.187 -2.958 1.00 0.00 C ATOM 152 C HIS A 22 -4.653 9.266 -2.203 1.00 0.00 C ATOM 153 O HIS A 22 -5.103 9.750 -1.166 1.00 0.00 O ATOM 154 CB HIS A 22 -6.604 8.755 -3.762 1.00 0.00 C ATOM 155 CG HIS A 22 -6.208 9.820 -4.756 1.00 0.00 C ATOM 156 ND1 HIS A 22 -6.778 11.081 -4.770 1.00 0.00 N ATOM 157 CD2 HIS A 22 -5.294 9.798 -5.768 1.00 0.00 C ATOM 158 CE1 HIS A 22 -6.224 11.778 -5.753 1.00 0.00 C ATOM 159 NE2 HIS A 22 -5.306 10.980 -6.370 1.00 0.00 N ATOM 0 H HIS A 22 -6.792 7.367 -1.590 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.753 7.738 -3.683 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.095 7.940 -4.294 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.337 9.172 -3.071 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.667 8.960 -6.034 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.459 12.798 -6.018 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.724 11.248 -7.164 1.00 0.00 H new ATOM 160 N ILE A 23 -3.497 9.608 -2.752 1.00 0.00 N ATOM 161 CA ILE A 23 -2.651 10.622 -2.143 1.00 0.00 C ATOM 162 C ILE A 23 -3.138 12.008 -2.565 1.00 0.00 C ATOM 163 O ILE A 23 -3.754 12.160 -3.619 1.00 0.00 O ATOM 164 CB ILE A 23 -1.180 10.358 -2.472 1.00 0.00 C ATOM 165 CG1 ILE A 23 -0.978 8.931 -2.983 1.00 0.00 C ATOM 166 CG2 ILE A 23 -0.285 10.668 -1.270 1.00 0.00 C ATOM 167 CD1 ILE A 23 0.478 8.494 -2.831 1.00 0.00 C ATOM 0 H ILE A 23 -3.126 9.202 -3.611 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.724 10.578 -1.056 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.885 11.032 -3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.625 8.249 -2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.271 8.872 -4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.755 10.472 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.398 11.716 -0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.573 10.037 -0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.593 7.476 -3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.120 9.163 -3.403 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.761 8.531 -1.779 1.00 0.00 H new ATOM 168 N GLU A 24 -2.841 12.986 -1.723 1.00 0.00 N ATOM 169 CA GLU A 24 -3.240 14.356 -1.996 1.00 0.00 C ATOM 170 C GLU A 24 -2.012 15.269 -2.047 1.00 0.00 C ATOM 171 O GLU A 24 -2.119 16.440 -2.404 1.00 0.00 O ATOM 172 CB GLU A 24 -4.249 14.853 -0.956 1.00 0.00 C ATOM 173 CG GLU A 24 -5.684 14.573 -1.407 1.00 0.00 C ATOM 174 CD GLU A 24 -6.682 15.409 -0.606 1.00 0.00 C ATOM 175 OE1 GLU A 24 -6.981 15.080 0.552 1.00 0.00 O ATOM 176 OE2 GLU A 24 -7.155 16.437 -1.226 1.00 0.00 O ATOM 0 H GLU A 24 -2.328 12.857 -0.851 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.729 14.382 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.062 14.364 -0.000 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.116 15.923 -0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.786 14.797 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.908 13.514 -1.282 1.00 0.00 H new ATOM 177 N SER A 25 -0.875 14.693 -1.685 1.00 0.00 N ATOM 178 CA SER A 25 0.373 15.441 -1.684 1.00 0.00 C ATOM 179 C SER A 25 0.788 15.765 -3.121 1.00 0.00 C ATOM 180 O SER A 25 1.291 16.854 -3.394 1.00 0.00 O ATOM 181 CB SER A 25 1.480 14.660 -0.976 1.00 0.00 C ATOM 182 OG SER A 25 2.689 15.409 -0.886 1.00 0.00 O ATOM 0 H SER A 25 -0.791 13.720 -1.391 1.00 0.00 H new ATOM 0 HA SER A 25 0.216 16.372 -1.139 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.147 14.387 0.025 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.669 13.731 -1.514 1.00 0.00 H new ATOM 0 HG SER A 25 3.371 14.876 -0.426 1.00 0.00 H new ATOM 183 N LEU A 26 0.562 14.802 -4.001 1.00 0.00 N ATOM 184 CA LEU A 26 0.908 14.971 -5.402 1.00 0.00 C ATOM 185 C LEU A 26 -0.293 14.586 -6.269 1.00 0.00 C ATOM 186 O LEU A 26 -0.163 14.425 -7.480 1.00 0.00 O ATOM 187 CB LEU A 26 2.182 14.196 -5.740 1.00 0.00 C ATOM 188 CG LEU A 26 3.479 15.008 -5.752 1.00 0.00 C ATOM 189 CD1 LEU A 26 3.775 15.545 -7.154 1.00 0.00 C ATOM 190 CD2 LEU A 26 3.435 16.126 -4.708 1.00 0.00 C ATOM 0 H LEU A 26 0.143 13.901 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 26 1.135 16.016 -5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.291 13.385 -5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.055 13.737 -6.721 1.00 0.00 H new ATOM 0 HG LEU A 26 4.301 14.345 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.702 16.119 -7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.878 14.711 -7.849 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.957 16.188 -7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.369 16.688 -4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.602 16.795 -4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.303 15.693 -3.716 1.00 0.00 H new ATOM 191 N ASP A 27 -1.436 14.448 -5.612 1.00 0.00 N ATOM 192 CA ASP A 27 -2.660 14.086 -6.308 1.00 0.00 C ATOM 193 C ASP A 27 -2.485 12.709 -6.954 1.00 0.00 C ATOM 194 O ASP A 27 -3.120 12.408 -7.963 1.00 0.00 O ATOM 195 CB ASP A 27 -2.983 15.089 -7.416 1.00 0.00 C ATOM 196 CG ASP A 27 -4.378 15.709 -7.339 1.00 0.00 C ATOM 197 OD1 ASP A 27 -4.496 16.691 -6.509 1.00 0.00 O ATOM 198 OD2 ASP A 27 -5.309 15.277 -8.037 1.00 0.00 O ATOM 0 H ASP A 27 -1.540 14.580 -4.606 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.472 14.080 -5.580 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.244 15.890 -7.388 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.876 14.590 -8.379 1.00 0.00 H new ATOM 199 N SER A 28 -1.620 11.910 -6.345 1.00 0.00 N ATOM 200 CA SER A 28 -1.354 10.575 -6.847 1.00 0.00 C ATOM 201 C SER A 28 -2.218 9.553 -6.105 1.00 0.00 C ATOM 202 O SER A 28 -2.863 9.886 -5.112 1.00 0.00 O ATOM 203 CB SER A 28 0.127 10.217 -6.705 1.00 0.00 C ATOM 204 OG SER A 28 0.352 8.813 -6.811 1.00 0.00 O ATOM 0 H SER A 28 -1.095 12.163 -5.508 1.00 0.00 H new ATOM 0 HA SER A 28 -1.606 10.554 -7.907 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.700 10.735 -7.474 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.494 10.571 -5.742 1.00 0.00 H new ATOM 0 HG SER A 28 1.310 8.627 -6.716 1.00 0.00 H new ATOM 205 N TYR A 29 -2.205 8.330 -6.616 1.00 0.00 N ATOM 206 CA TYR A 29 -2.980 7.260 -6.013 1.00 0.00 C ATOM 207 C TYR A 29 -2.065 6.213 -5.375 1.00 0.00 C ATOM 208 O TYR A 29 -1.006 5.898 -5.913 1.00 0.00 O ATOM 209 CB TYR A 29 -3.761 6.609 -7.158 1.00 0.00 C ATOM 210 CG TYR A 29 -4.709 7.562 -7.886 1.00 0.00 C ATOM 211 CD1 TYR A 29 -4.259 8.290 -8.969 1.00 0.00 C ATOM 212 CD2 TYR A 29 -6.014 7.697 -7.460 1.00 0.00 C ATOM 213 CE1 TYR A 29 -5.151 9.186 -9.656 1.00 0.00 C ATOM 214 CE2 TYR A 29 -6.907 8.594 -8.146 1.00 0.00 C ATOM 215 CZ TYR A 29 -6.432 9.295 -9.209 1.00 0.00 C ATOM 216 OH TYR A 29 -7.274 10.143 -9.857 1.00 0.00 O ATOM 0 H TYR A 29 -1.670 8.057 -7.440 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.632 7.651 -5.231 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.054 6.196 -7.878 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.337 5.773 -6.762 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.236 8.187 -9.301 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.366 7.129 -6.611 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.812 9.759 -10.507 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.931 8.707 -7.823 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.156 10.118 -9.430 1.00 0.00 H new ATOM 217 N THR A 30 -2.508 5.703 -4.236 1.00 0.00 N ATOM 218 CA THR A 30 -1.743 4.697 -3.517 1.00 0.00 C ATOM 219 C THR A 30 -2.675 3.630 -2.938 1.00 0.00 C ATOM 220 O THR A 30 -3.824 3.511 -3.356 1.00 0.00 O ATOM 221 CB THR A 30 -0.902 5.411 -2.457 1.00 0.00 C ATOM 222 OG1 THR A 30 0.012 4.414 -2.011 1.00 0.00 O ATOM 223 CG2 THR A 30 -1.711 5.762 -1.208 1.00 0.00 C ATOM 0 H THR A 30 -3.388 5.967 -3.792 1.00 0.00 H new ATOM 0 HA THR A 30 -1.066 4.163 -4.184 1.00 0.00 H new ATOM 0 HB THR A 30 -0.478 6.321 -2.881 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.705 4.278 -2.691 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.067 6.267 -0.488 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.536 6.420 -1.482 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.108 4.849 -0.763 1.00 0.00 H new ATOM 224 N CYS A 31 -2.143 2.882 -1.985 1.00 0.00 N ATOM 225 CA CYS A 31 -2.911 1.829 -1.342 1.00 0.00 C ATOM 226 C CYS A 31 -2.333 1.594 0.055 1.00 0.00 C ATOM 227 O CYS A 31 -1.118 1.490 0.218 1.00 0.00 O ATOM 228 CB CYS A 31 -2.922 0.547 -2.177 1.00 0.00 C ATOM 229 SG CYS A 31 -4.353 0.378 -3.307 1.00 0.00 S ATOM 0 H CYS A 31 -1.188 2.984 -1.641 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.953 2.138 -1.255 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.005 0.506 -2.766 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.907 -0.309 -1.503 1.00 0.00 H new ATOM 230 N ASN A 32 -3.230 1.518 1.027 1.00 0.00 N ATOM 231 CA ASN A 32 -2.825 1.297 2.403 1.00 0.00 C ATOM 232 C ASN A 32 -2.332 -0.143 2.561 1.00 0.00 C ATOM 233 O ASN A 32 -3.123 -1.083 2.510 1.00 0.00 O ATOM 234 CB ASN A 32 -3.999 1.502 3.364 1.00 0.00 C ATOM 235 CG ASN A 32 -3.504 1.863 4.765 1.00 0.00 C ATOM 236 OD1 ASN A 32 -2.431 1.472 5.193 1.00 0.00 O ATOM 237 ND2 ASN A 32 -4.345 2.627 5.456 1.00 0.00 N ATOM 0 H ASN A 32 -4.237 1.606 0.888 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.036 2.011 2.640 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -4.647 2.294 2.988 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.599 0.593 3.409 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.107 2.920 6.403 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.228 2.920 5.039 1.00 0.00 H new ATOM 238 N CYS A 33 -1.026 -0.270 2.751 1.00 0.00 N ATOM 239 CA CYS A 33 -0.419 -1.578 2.917 1.00 0.00 C ATOM 240 C CYS A 33 -0.441 -1.934 4.405 1.00 0.00 C ATOM 241 O CYS A 33 -1.293 -1.451 5.150 1.00 0.00 O ATOM 242 CB CYS A 33 0.999 -1.621 2.341 1.00 0.00 C ATOM 243 SG CYS A 33 1.185 -0.833 0.701 1.00 0.00 S ATOM 0 H CYS A 33 -0.373 0.512 2.793 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.991 -2.320 2.359 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.676 -1.132 3.042 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.314 -2.662 2.266 1.00 0.00 H new ATOM 244 N VAL A 34 0.507 -2.774 4.795 1.00 0.00 N ATOM 245 CA VAL A 34 0.607 -3.198 6.181 1.00 0.00 C ATOM 246 C VAL A 34 2.076 -3.433 6.533 1.00 0.00 C ATOM 247 O VAL A 34 2.960 -3.225 5.702 1.00 0.00 O ATOM 248 CB VAL A 34 -0.268 -4.432 6.414 1.00 0.00 C ATOM 249 CG1 VAL A 34 -1.650 -4.251 5.782 1.00 0.00 C ATOM 250 CG2 VAL A 34 0.413 -5.696 5.888 1.00 0.00 C ATOM 0 H VAL A 34 1.212 -3.172 4.175 1.00 0.00 H new ATOM 0 HA VAL A 34 0.234 -2.420 6.847 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.403 -4.548 7.489 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.252 -5.142 5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.142 -3.385 6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.542 -4.097 4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.231 -6.557 6.067 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.594 -5.594 4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.362 -5.839 6.404 1.00 0.00 H new ATOM 251 N ILE A 35 2.295 -3.866 7.767 1.00 0.00 N ATOM 252 CA ILE A 35 3.643 -4.132 8.239 1.00 0.00 C ATOM 253 C ILE A 35 4.402 -4.931 7.179 1.00 0.00 C ATOM 254 O ILE A 35 3.792 -5.579 6.329 1.00 0.00 O ATOM 255 CB ILE A 35 3.606 -4.810 9.611 1.00 0.00 C ATOM 256 CG1 ILE A 35 2.585 -4.135 10.528 1.00 0.00 C ATOM 257 CG2 ILE A 35 5.000 -4.851 10.239 1.00 0.00 C ATOM 258 CD1 ILE A 35 3.054 -4.162 11.984 1.00 0.00 C ATOM 0 H ILE A 35 1.561 -4.039 8.454 1.00 0.00 H new ATOM 0 HA ILE A 35 4.187 -3.199 8.384 1.00 0.00 H new ATOM 0 HB ILE A 35 3.283 -5.842 9.474 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.432 -3.104 10.211 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.623 -4.641 10.442 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.946 -5.338 11.213 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.675 -5.410 9.591 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.374 -3.834 10.361 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.310 -3.676 12.615 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.183 -5.195 12.306 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.004 -3.634 12.070 1.00 0.00 H new ATOM 259 N GLY A 36 5.722 -4.859 7.261 1.00 0.00 N ATOM 260 CA GLY A 36 6.571 -5.568 6.318 1.00 0.00 C ATOM 261 C GLY A 36 5.971 -5.543 4.913 1.00 0.00 C ATOM 262 O GLY A 36 6.123 -6.495 4.150 1.00 0.00 O ATOM 0 H GLY A 36 6.225 -4.320 7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.561 -5.113 6.302 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.699 -6.600 6.644 1.00 0.00 H new ATOM 263 N TYR A 37 5.297 -4.441 4.611 1.00 0.00 N ATOM 264 CA TYR A 37 4.673 -4.278 3.309 1.00 0.00 C ATOM 265 C TYR A 37 4.360 -2.807 3.032 1.00 0.00 C ATOM 266 O TYR A 37 3.394 -2.263 3.567 1.00 0.00 O ATOM 267 CB TYR A 37 3.362 -5.065 3.371 1.00 0.00 C ATOM 268 CG TYR A 37 3.505 -6.544 3.005 1.00 0.00 C ATOM 269 CD1 TYR A 37 3.756 -6.911 1.698 1.00 0.00 C ATOM 270 CD2 TYR A 37 3.384 -7.511 3.983 1.00 0.00 C ATOM 271 CE1 TYR A 37 3.892 -8.303 1.355 1.00 0.00 C ATOM 272 CE2 TYR A 37 3.518 -8.903 3.638 1.00 0.00 C ATOM 273 CZ TYR A 37 3.765 -9.230 2.342 1.00 0.00 C ATOM 274 OH TYR A 37 3.895 -10.544 2.018 1.00 0.00 O ATOM 0 H TYR A 37 5.170 -3.653 5.246 1.00 0.00 H new ATOM 0 HA TYR A 37 5.335 -4.629 2.518 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.952 -4.989 4.378 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.641 -4.603 2.697 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.850 -6.154 0.933 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.189 -7.224 5.006 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.090 -8.604 0.337 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.424 -9.670 4.392 1.00 0.00 H new ATOM 0 HH TYR A 37 3.781 -11.092 2.822 1.00 0.00 H new ATOM 275 N SER A 38 5.191 -2.205 2.195 1.00 0.00 N ATOM 276 CA SER A 38 5.015 -0.808 1.840 1.00 0.00 C ATOM 277 C SER A 38 5.767 -0.497 0.544 1.00 0.00 C ATOM 278 O SER A 38 6.570 -1.306 0.080 1.00 0.00 O ATOM 279 CB SER A 38 5.494 0.113 2.965 1.00 0.00 C ATOM 280 OG SER A 38 6.909 0.059 3.131 1.00 0.00 O ATOM 0 H SER A 38 5.989 -2.660 1.752 1.00 0.00 H new ATOM 0 HA SER A 38 3.951 -0.627 1.688 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.193 1.138 2.748 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.008 -0.171 3.898 1.00 0.00 H new ATOM 0 HG SER A 38 7.176 0.661 3.856 1.00 0.00 H new ATOM 281 N GLY A 39 5.481 0.674 -0.004 1.00 0.00 N ATOM 282 CA GLY A 39 6.120 1.102 -1.236 1.00 0.00 C ATOM 283 C GLY A 39 5.089 1.290 -2.351 1.00 0.00 C ATOM 284 O GLY A 39 5.335 0.914 -3.497 1.00 0.00 O ATOM 0 H GLY A 39 4.814 1.341 0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.653 2.037 -1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.861 0.363 -1.541 1.00 0.00 H new ATOM 285 N ASP A 40 3.958 1.869 -1.977 1.00 0.00 N ATOM 286 CA ASP A 40 2.891 2.113 -2.932 1.00 0.00 C ATOM 287 C ASP A 40 2.416 0.777 -3.510 1.00 0.00 C ATOM 288 O ASP A 40 3.184 0.073 -4.165 1.00 0.00 O ATOM 289 CB ASP A 40 3.375 2.986 -4.091 1.00 0.00 C ATOM 290 CG ASP A 40 2.270 3.508 -5.012 1.00 0.00 C ATOM 291 OD1 ASP A 40 1.695 4.591 -4.611 1.00 0.00 O ATOM 292 OD2 ASP A 40 1.976 2.912 -6.058 1.00 0.00 O ATOM 0 H ASP A 40 3.757 2.176 -1.025 1.00 0.00 H new ATOM 0 HA ASP A 40 2.083 2.626 -2.411 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.919 3.837 -3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.084 2.412 -4.688 1.00 0.00 H new ATOM 293 N ARG A 41 1.155 0.470 -3.250 1.00 0.00 N ATOM 294 CA ARG A 41 0.570 -0.768 -3.737 1.00 0.00 C ATOM 295 C ARG A 41 1.107 -1.958 -2.939 1.00 0.00 C ATOM 296 O ARG A 41 0.760 -3.104 -3.220 1.00 0.00 O ATOM 297 CB ARG A 41 0.878 -0.975 -5.221 1.00 0.00 C ATOM 298 CG ARG A 41 0.123 -2.186 -5.774 1.00 0.00 C ATOM 299 CD ARG A 41 0.043 -2.131 -7.300 1.00 0.00 C ATOM 300 NE ARG A 41 1.400 -2.244 -7.882 1.00 0.00 N ATOM 301 CZ ARG A 41 2.011 -1.259 -8.573 1.00 0.00 C ATOM 302 NH1 ARG A 41 1.762 -1.132 -9.863 1.00 0.00 N ATOM 303 NH2 ARG A 41 2.864 -0.416 -7.954 1.00 0.00 N ATOM 0 H ARG A 41 0.521 1.057 -2.708 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.510 -0.699 -3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.601 -0.082 -5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.950 -1.117 -5.357 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.624 -3.104 -5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.883 -2.215 -5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.588 -2.939 -7.669 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.420 -1.196 -7.615 1.00 0.00 H new ATOM 0 HE ARG A 41 1.904 -3.121 -7.752 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.116 -1.773 -10.323 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.216 -0.393 -10.400 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.051 -0.521 -6.957 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.322 0.326 -8.483 1.00 0.00 H new ATOM 304 N CYS A 42 1.944 -1.645 -1.962 1.00 0.00 N ATOM 305 CA CYS A 42 2.531 -2.675 -1.122 1.00 0.00 C ATOM 306 C CYS A 42 3.438 -3.546 -1.993 1.00 0.00 C ATOM 307 O CYS A 42 2.999 -4.562 -2.529 1.00 0.00 O ATOM 308 CB CYS A 42 1.462 -3.502 -0.407 1.00 0.00 C ATOM 309 SG CYS A 42 -0.081 -2.594 -0.024 1.00 0.00 S ATOM 0 H CYS A 42 2.230 -0.693 -1.733 1.00 0.00 H new ATOM 0 HA CYS A 42 3.123 -2.210 -0.334 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.215 -4.365 -1.026 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.881 -3.886 0.523 1.00 0.00 H new ATOM 310 N GLN A 43 4.687 -3.116 -2.108 1.00 0.00 N ATOM 311 CA GLN A 43 5.658 -3.844 -2.905 1.00 0.00 C ATOM 312 C GLN A 43 6.820 -4.315 -2.027 1.00 0.00 C ATOM 313 O GLN A 43 7.230 -5.471 -2.101 1.00 0.00 O ATOM 314 CB GLN A 43 6.162 -2.989 -4.070 1.00 0.00 C ATOM 315 CG GLN A 43 5.662 -3.537 -5.407 1.00 0.00 C ATOM 316 CD GLN A 43 5.540 -2.420 -6.447 1.00 0.00 C ATOM 317 OE1 GLN A 43 5.003 -2.598 -7.528 1.00 0.00 O ATOM 318 NE2 GLN A 43 6.067 -1.263 -6.060 1.00 0.00 N ATOM 0 H GLN A 43 5.048 -2.273 -1.662 1.00 0.00 H new ATOM 0 HA GLN A 43 5.168 -4.722 -3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.823 -1.961 -3.945 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.252 -2.968 -4.066 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.348 -4.303 -5.769 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.693 -4.017 -5.268 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.502 -1.183 -5.141 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.037 -0.455 -6.682 1.00 0.00 H new ATOM 319 N THR A 44 7.317 -3.392 -1.216 1.00 0.00 N ATOM 320 CA THR A 44 8.424 -3.697 -0.326 1.00 0.00 C ATOM 321 C THR A 44 7.998 -4.727 0.721 1.00 0.00 C ATOM 322 O THR A 44 7.374 -4.378 1.724 1.00 0.00 O ATOM 323 CB THR A 44 8.919 -2.383 0.282 1.00 0.00 C ATOM 324 OG1 THR A 44 8.825 -1.448 -0.790 1.00 0.00 O ATOM 325 CG2 THR A 44 10.410 -2.418 0.617 1.00 0.00 C ATOM 0 H THR A 44 6.973 -2.433 -1.157 1.00 0.00 H new ATOM 0 HA THR A 44 9.252 -4.153 -0.868 1.00 0.00 H new ATOM 0 HB THR A 44 8.350 -2.164 1.185 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.025 -0.894 -0.672 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.709 -1.461 1.045 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.603 -3.214 1.336 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.983 -2.604 -0.292 1.00 0.00 H new ATOM 326 N ARG A 45 8.346 -5.977 0.453 1.00 0.00 N ATOM 327 CA ARG A 45 8.008 -7.060 1.359 1.00 0.00 C ATOM 328 C ARG A 45 8.963 -7.073 2.554 1.00 0.00 C ATOM 329 O ARG A 45 10.181 -7.087 2.379 1.00 0.00 O ATOM 330 CB ARG A 45 8.072 -8.413 0.650 1.00 0.00 C ATOM 331 CG ARG A 45 6.882 -9.294 1.035 1.00 0.00 C ATOM 332 CD ARG A 45 7.175 -10.769 0.751 1.00 0.00 C ATOM 333 NE ARG A 45 6.229 -11.626 1.498 1.00 0.00 N ATOM 334 CZ ARG A 45 6.504 -12.198 2.692 1.00 0.00 C ATOM 335 NH1 ARG A 45 6.276 -11.528 3.841 1.00 0.00 N ATOM 336 NH2 ARG A 45 7.000 -13.420 2.715 1.00 0.00 N ATOM 0 H ARG A 45 8.860 -6.264 -0.380 1.00 0.00 H new ATOM 0 HA ARG A 45 6.989 -6.893 1.707 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.082 -8.261 -0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.002 -8.919 0.909 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.655 -9.162 2.093 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.999 -8.981 0.478 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.091 -10.966 -0.318 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.199 -11.007 1.039 1.00 0.00 H new ATOM 0 HE ARG A 45 5.311 -11.796 1.087 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.893 -10.583 3.813 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.486 -11.967 4.738 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.170 -13.918 1.841 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.213 -13.867 3.607 1.00 0.00 H new