USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 375 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 ASN :FLIP amide:sc=-0.00951 F(o=-0.55,f=-0.0095) USER MOD Single : A 1 ASN N :NH3+ -137:sc=0.000265 (180deg=-1.07) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -29:sc= 0.533 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -134:sc= 1.28 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN :FLIP amide:sc= -2.62 F(o=-3.4!,f=-2.6) USER MOD Single : A 22 HIS :FLIP no HE2:sc= -4.57! C(o=-7!,f=-4.6!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc=-0.00701 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.197 USER MOD Single : A 32 ASN : amide:sc= -3.1 K(o=-3.1,f=-15!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0134 USER MOD Single : A 43 GLN : amide:sc= -0.0479 X(o=-0.048,f=-0.0048) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -7.802 13.139 -1.451 1.00 0.00 N ATOM 2 CA ASN A 1 -8.790 12.074 -1.497 1.00 0.00 C ATOM 3 C ASN A 1 -8.187 10.855 -2.197 1.00 0.00 C ATOM 4 O ASN A 1 -7.639 10.971 -3.291 1.00 0.00 O ATOM 5 CB ASN A 1 -10.029 12.506 -2.284 1.00 0.00 C ATOM 6 CG ASN A 1 -10.700 13.715 -1.629 1.00 0.00 C ATOM 7 OD1 ASN A 1 -10.129 14.878 -1.927 1.00 0.00 O flip ATOM 8 ND2 ASN A 1 -11.673 13.600 -0.902 1.00 0.00 N flip ATOM 0 H1 ASN A 1 -7.816 13.586 -0.512 1.00 0.00 H new ATOM 0 H2 ASN A 1 -6.857 12.744 -1.632 1.00 0.00 H new ATOM 0 H3 ASN A 1 -8.025 13.851 -2.176 1.00 0.00 H new ATOM 0 HA ASN A 1 -9.078 11.836 -0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -9.747 12.752 -3.308 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -10.736 11.678 -2.339 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -12.063 12.676 -0.714 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -12.097 14.427 -0.482 1.00 0.00 H new ATOM 16 N SER A 2 -8.309 9.713 -1.535 1.00 0.00 N ATOM 17 CA SER A 2 -7.803 8.469 -2.091 1.00 0.00 C ATOM 18 C SER A 2 -8.791 7.913 -3.116 1.00 0.00 C ATOM 19 O SER A 2 -10.004 8.000 -2.926 1.00 0.00 O ATOM 20 CB SER A 2 -7.544 7.439 -0.989 1.00 0.00 C ATOM 21 OG SER A 2 -8.681 7.260 -0.149 1.00 0.00 O ATOM 0 H SER A 2 -8.750 9.623 -0.620 1.00 0.00 H new ATOM 0 HA SER A 2 -6.855 8.677 -2.587 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.273 6.485 -1.441 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.694 7.759 -0.386 1.00 0.00 H new ATOM 0 HG SER A 2 -8.477 6.594 0.540 1.00 0.00 H new ATOM 27 N TYR A 3 -8.238 7.354 -4.182 1.00 0.00 N ATOM 28 CA TYR A 3 -9.056 6.846 -5.270 1.00 0.00 C ATOM 29 C TYR A 3 -8.519 5.508 -5.782 1.00 0.00 C ATOM 30 O TYR A 3 -7.317 5.357 -5.993 1.00 0.00 O ATOM 31 CB TYR A 3 -8.957 7.882 -6.391 1.00 0.00 C ATOM 32 CG TYR A 3 -9.533 7.411 -7.728 1.00 0.00 C ATOM 33 CD1 TYR A 3 -10.896 7.451 -7.944 1.00 0.00 C ATOM 34 CD2 TYR A 3 -8.691 6.947 -8.717 1.00 0.00 C ATOM 35 CE1 TYR A 3 -11.438 7.008 -9.202 1.00 0.00 C ATOM 36 CE2 TYR A 3 -9.233 6.503 -9.975 1.00 0.00 C ATOM 37 CZ TYR A 3 -10.580 6.555 -10.155 1.00 0.00 C ATOM 38 OH TYR A 3 -11.092 6.137 -11.343 1.00 0.00 O ATOM 0 H TYR A 3 -7.233 7.242 -4.316 1.00 0.00 H new ATOM 0 HA TYR A 3 -10.081 6.686 -4.936 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -9.479 8.788 -6.082 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.910 8.150 -6.533 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -11.555 7.814 -7.170 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -7.625 6.917 -8.548 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.502 7.035 -9.385 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.585 6.137 -10.758 1.00 0.00 H new ATOM 0 HH TYR A 3 -10.363 5.842 -11.928 1.00 0.00 H new ATOM 48 N PRO A 4 -9.397 4.515 -5.989 1.00 0.00 N ATOM 49 CA PRO A 4 -8.961 3.223 -6.522 1.00 0.00 C ATOM 50 C PRO A 4 -8.514 3.318 -7.971 1.00 0.00 C ATOM 51 O PRO A 4 -9.343 3.362 -8.879 1.00 0.00 O ATOM 52 CB PRO A 4 -10.196 2.332 -6.366 1.00 0.00 C ATOM 53 CG PRO A 4 -11.343 3.301 -6.424 1.00 0.00 C ATOM 54 CD PRO A 4 -10.849 4.541 -5.737 1.00 0.00 C ATOM 0 HA PRO A 4 -8.089 2.832 -5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.258 1.590 -7.162 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.180 1.786 -5.422 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.630 3.510 -7.455 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.224 2.898 -5.924 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.312 5.439 -6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.072 4.525 -4.670 1.00 0.00 H new ATOM 62 N GLY A 5 -7.202 3.346 -8.151 1.00 0.00 N ATOM 63 CA GLY A 5 -6.631 3.474 -9.481 1.00 0.00 C ATOM 64 C GLY A 5 -5.103 3.431 -9.430 1.00 0.00 C ATOM 65 O GLY A 5 -4.498 3.873 -8.454 1.00 0.00 O ATOM 0 H GLY A 5 -6.517 3.282 -7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -7.000 2.670 -10.117 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.957 4.412 -9.931 1.00 0.00 H new ATOM 69 N CYS A 6 -4.521 2.892 -10.491 1.00 0.00 N ATOM 70 CA CYS A 6 -3.075 2.805 -10.589 1.00 0.00 C ATOM 71 C CYS A 6 -2.723 2.091 -11.895 1.00 0.00 C ATOM 72 O CYS A 6 -3.154 0.962 -12.124 1.00 0.00 O ATOM 73 CB CYS A 6 -2.467 2.103 -9.373 1.00 0.00 C ATOM 74 SG CYS A 6 -3.216 0.483 -8.968 1.00 0.00 S ATOM 0 H CYS A 6 -5.026 2.511 -11.291 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.648 3.808 -10.599 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.401 1.961 -9.549 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.563 2.758 -8.507 1.00 0.00 H new ATOM 79 N PRO A 7 -1.938 2.732 -12.772 1.00 0.00 N ATOM 80 CA PRO A 7 -1.588 2.123 -14.057 1.00 0.00 C ATOM 81 C PRO A 7 -0.667 0.925 -13.896 1.00 0.00 C ATOM 82 O PRO A 7 -0.327 0.545 -12.776 1.00 0.00 O ATOM 83 CB PRO A 7 -0.910 3.260 -14.825 1.00 0.00 C ATOM 84 CG PRO A 7 -0.337 4.129 -13.741 1.00 0.00 C ATOM 85 CD PRO A 7 -1.329 4.066 -12.616 1.00 0.00 C ATOM 0 HA PRO A 7 -2.460 1.724 -14.575 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.133 2.886 -15.491 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.623 3.807 -15.442 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.641 3.768 -13.423 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.201 5.153 -14.089 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.844 4.175 -11.646 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.073 4.859 -12.692 1.00 0.00 H new ATOM 93 N SER A 8 -0.283 0.356 -15.029 1.00 0.00 N ATOM 94 CA SER A 8 0.559 -0.828 -15.025 1.00 0.00 C ATOM 95 C SER A 8 2.031 -0.424 -14.940 1.00 0.00 C ATOM 96 O SER A 8 2.915 -1.279 -14.929 1.00 0.00 O ATOM 97 CB SER A 8 0.314 -1.681 -16.271 1.00 0.00 C ATOM 98 OG SER A 8 1.064 -2.893 -16.244 1.00 0.00 O ATOM 0 H SER A 8 -0.540 0.693 -15.957 1.00 0.00 H new ATOM 0 HA SER A 8 0.303 -1.427 -14.151 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.748 -1.913 -16.348 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.581 -1.109 -17.160 1.00 0.00 H new ATOM 0 HG SER A 8 1.886 -2.758 -15.728 1.00 0.00 H new ATOM 104 N SER A 9 2.251 0.882 -14.880 1.00 0.00 N ATOM 105 CA SER A 9 3.602 1.410 -14.794 1.00 0.00 C ATOM 106 C SER A 9 4.275 0.921 -13.510 1.00 0.00 C ATOM 107 O SER A 9 5.466 0.615 -13.508 1.00 0.00 O ATOM 108 CB SER A 9 3.599 2.940 -14.841 1.00 0.00 C ATOM 109 OG SER A 9 4.919 3.476 -14.864 1.00 0.00 O ATOM 0 H SER A 9 1.516 1.589 -14.889 1.00 0.00 H new ATOM 0 HA SER A 9 4.166 1.047 -15.653 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.056 3.274 -15.725 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.065 3.328 -13.974 1.00 0.00 H new ATOM 0 HG SER A 9 4.874 4.454 -14.895 1.00 0.00 H new ATOM 115 N TYR A 10 3.482 0.861 -12.450 1.00 0.00 N ATOM 116 CA TYR A 10 3.995 0.449 -11.154 1.00 0.00 C ATOM 117 C TYR A 10 3.821 -1.056 -10.949 1.00 0.00 C ATOM 118 O TYR A 10 4.174 -1.589 -9.898 1.00 0.00 O ATOM 119 CB TYR A 10 3.158 1.194 -10.113 1.00 0.00 C ATOM 120 CG TYR A 10 3.185 2.717 -10.266 1.00 0.00 C ATOM 121 CD1 TYR A 10 4.314 3.426 -9.911 1.00 0.00 C ATOM 122 CD2 TYR A 10 2.079 3.379 -10.759 1.00 0.00 C ATOM 123 CE1 TYR A 10 4.338 4.858 -10.056 1.00 0.00 C ATOM 124 CE2 TYR A 10 2.104 4.811 -10.903 1.00 0.00 C ATOM 125 CZ TYR A 10 3.233 5.481 -10.544 1.00 0.00 C ATOM 126 OH TYR A 10 3.256 6.833 -10.681 1.00 0.00 O ATOM 0 H TYR A 10 2.488 1.091 -12.462 1.00 0.00 H new ATOM 0 HA TYR A 10 5.059 0.673 -11.073 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.126 0.851 -10.179 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.518 0.933 -9.118 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.179 2.907 -9.525 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.196 2.823 -11.037 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.215 5.425 -9.783 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.246 5.342 -11.287 1.00 0.00 H new ATOM 0 HH TYR A 10 2.428 7.212 -10.320 1.00 0.00 H new ATOM 136 N ASP A 11 3.276 -1.701 -11.970 1.00 0.00 N ATOM 137 CA ASP A 11 3.019 -3.130 -11.902 1.00 0.00 C ATOM 138 C ASP A 11 2.145 -3.429 -10.681 1.00 0.00 C ATOM 139 O ASP A 11 2.381 -4.402 -9.968 1.00 0.00 O ATOM 140 CB ASP A 11 4.322 -3.918 -11.755 1.00 0.00 C ATOM 141 CG ASP A 11 4.187 -5.431 -11.946 1.00 0.00 C ATOM 142 OD1 ASP A 11 4.765 -6.224 -11.187 1.00 0.00 O ATOM 143 OD2 ASP A 11 3.441 -5.791 -12.935 1.00 0.00 O ATOM 0 H ASP A 11 3.005 -1.260 -12.849 1.00 0.00 H new ATOM 0 HA ASP A 11 2.520 -3.427 -12.825 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.043 -3.538 -12.479 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.735 -3.727 -10.764 1.00 0.00 H new ATOM 149 N GLY A 12 1.154 -2.572 -10.479 1.00 0.00 N ATOM 150 CA GLY A 12 0.237 -2.739 -9.365 1.00 0.00 C ATOM 151 C GLY A 12 0.731 -1.984 -8.130 1.00 0.00 C ATOM 152 O GLY A 12 -0.070 -1.481 -7.344 1.00 0.00 O ATOM 0 H GLY A 12 0.967 -1.761 -11.068 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.752 -2.376 -9.646 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.133 -3.798 -9.131 1.00 0.00 H new ATOM 156 N TYR A 13 2.048 -1.930 -7.997 1.00 0.00 N ATOM 157 CA TYR A 13 2.659 -1.266 -6.857 1.00 0.00 C ATOM 158 C TYR A 13 2.317 -1.989 -5.553 1.00 0.00 C ATOM 159 O TYR A 13 2.547 -1.460 -4.467 1.00 0.00 O ATOM 160 CB TYR A 13 2.058 0.142 -6.819 1.00 0.00 C ATOM 161 CG TYR A 13 3.064 1.237 -6.460 1.00 0.00 C ATOM 162 CD1 TYR A 13 4.134 0.948 -5.638 1.00 0.00 C ATOM 163 CD2 TYR A 13 2.901 2.513 -6.957 1.00 0.00 C ATOM 164 CE1 TYR A 13 5.081 1.980 -5.300 1.00 0.00 C ATOM 165 CE2 TYR A 13 3.848 3.545 -6.619 1.00 0.00 C ATOM 166 CZ TYR A 13 4.891 3.226 -5.808 1.00 0.00 C ATOM 167 OH TYR A 13 5.785 4.200 -5.488 1.00 0.00 O ATOM 0 H TYR A 13 2.709 -2.335 -8.659 1.00 0.00 H new ATOM 0 HA TYR A 13 3.745 -1.256 -6.955 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.623 0.367 -7.793 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.244 0.159 -6.095 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.262 -0.051 -5.248 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.063 2.739 -7.600 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.923 1.768 -4.657 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.732 4.548 -7.001 1.00 0.00 H new ATOM 0 HH TYR A 13 5.524 5.039 -5.923 1.00 0.00 H new ATOM 177 N CYS A 14 1.772 -3.187 -5.704 1.00 0.00 N ATOM 178 CA CYS A 14 1.416 -3.998 -4.552 1.00 0.00 C ATOM 179 C CYS A 14 1.909 -5.425 -4.797 1.00 0.00 C ATOM 180 O CYS A 14 1.435 -6.102 -5.709 1.00 0.00 O ATOM 181 CB CYS A 14 -0.088 -3.954 -4.273 1.00 0.00 C ATOM 182 SG CYS A 14 -0.917 -2.402 -4.774 1.00 0.00 S ATOM 0 H CYS A 14 1.568 -3.616 -6.607 1.00 0.00 H new ATOM 0 HA CYS A 14 1.897 -3.597 -3.660 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.564 -4.787 -4.791 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.250 -4.108 -3.206 1.00 0.00 H new ATOM 187 N LEU A 15 2.855 -5.841 -3.968 1.00 0.00 N ATOM 188 CA LEU A 15 3.439 -7.165 -4.102 1.00 0.00 C ATOM 189 C LEU A 15 3.023 -8.024 -2.906 1.00 0.00 C ATOM 190 O LEU A 15 2.506 -7.508 -1.916 1.00 0.00 O ATOM 191 CB LEU A 15 4.954 -7.066 -4.291 1.00 0.00 C ATOM 192 CG LEU A 15 5.430 -6.132 -5.406 1.00 0.00 C ATOM 193 CD1 LEU A 15 4.731 -6.454 -6.727 1.00 0.00 C ATOM 194 CD2 LEU A 15 5.255 -4.667 -5.006 1.00 0.00 C ATOM 0 H LEU A 15 3.232 -5.284 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 15 3.061 -7.659 -4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.397 -6.734 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.342 -8.065 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 15 6.496 -6.298 -5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.088 -5.776 -7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.952 -7.482 -7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.654 -6.334 -6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.601 -4.025 -5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.202 -4.467 -4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.837 -4.463 -4.107 1.00 0.00 H new ATOM 206 N ASN A 16 3.264 -9.320 -3.037 1.00 0.00 N ATOM 207 CA ASN A 16 2.943 -10.253 -1.970 1.00 0.00 C ATOM 208 C ASN A 16 1.441 -10.541 -1.987 1.00 0.00 C ATOM 209 O ASN A 16 1.028 -11.693 -2.116 1.00 0.00 O ATOM 210 CB ASN A 16 3.297 -9.667 -0.601 1.00 0.00 C ATOM 211 CG ASN A 16 4.683 -9.018 -0.625 1.00 0.00 C ATOM 212 OD1 ASN A 16 4.812 -7.991 0.209 1.00 0.00 O flip ATOM 213 ND2 ASN A 16 5.574 -9.424 -1.353 1.00 0.00 N flip ATOM 0 H ASN A 16 3.678 -9.746 -3.866 1.00 0.00 H new ATOM 0 HA ASN A 16 3.520 -11.164 -2.132 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.550 -8.927 -0.314 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.273 -10.454 0.153 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.406 -10.219 -1.970 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.487 -8.969 -1.345 1.00 0.00 H new ATOM 220 N GLY A 17 0.665 -9.477 -1.853 1.00 0.00 N ATOM 221 CA GLY A 17 -0.783 -9.603 -1.837 1.00 0.00 C ATOM 222 C GLY A 17 -1.435 -8.369 -1.210 1.00 0.00 C ATOM 223 O GLY A 17 -2.300 -8.491 -0.345 1.00 0.00 O ATOM 0 H GLY A 17 1.011 -8.523 -1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.151 -9.736 -2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.068 -10.493 -1.276 1.00 0.00 H new ATOM 227 N GLY A 18 -0.992 -7.207 -1.670 1.00 0.00 N ATOM 228 CA GLY A 18 -1.573 -5.955 -1.219 1.00 0.00 C ATOM 229 C GLY A 18 -2.589 -5.425 -2.233 1.00 0.00 C ATOM 230 O GLY A 18 -2.656 -5.910 -3.361 1.00 0.00 O ATOM 0 H GLY A 18 -0.238 -7.107 -2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.059 -6.102 -0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.785 -5.217 -1.069 1.00 0.00 H new ATOM 234 N VAL A 19 -3.354 -4.436 -1.796 1.00 0.00 N ATOM 235 CA VAL A 19 -4.350 -3.822 -2.657 1.00 0.00 C ATOM 236 C VAL A 19 -3.892 -2.413 -3.036 1.00 0.00 C ATOM 237 O VAL A 19 -3.171 -1.766 -2.277 1.00 0.00 O ATOM 238 CB VAL A 19 -5.718 -3.842 -1.972 1.00 0.00 C ATOM 239 CG1 VAL A 19 -6.843 -3.629 -2.987 1.00 0.00 C ATOM 240 CG2 VAL A 19 -5.922 -5.141 -1.192 1.00 0.00 C ATOM 0 H VAL A 19 -3.304 -4.044 -0.856 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.456 -4.389 -3.582 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.748 -3.017 -1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.804 -3.648 -2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.712 -2.665 -3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.815 -4.423 -3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.902 -5.129 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.861 -5.989 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.149 -5.233 -0.429 1.00 0.00 H new ATOM 250 N CYS A 20 -4.327 -1.978 -4.209 1.00 0.00 N ATOM 251 CA CYS A 20 -3.835 -0.734 -4.776 1.00 0.00 C ATOM 252 C CYS A 20 -4.772 0.395 -4.343 1.00 0.00 C ATOM 253 O CYS A 20 -5.973 0.183 -4.183 1.00 0.00 O ATOM 254 CB CYS A 20 -3.708 -0.818 -6.298 1.00 0.00 C ATOM 255 SG CYS A 20 -2.477 0.321 -7.029 1.00 0.00 S ATOM 0 H CYS A 20 -5.015 -2.465 -4.783 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.830 -0.534 -4.404 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.444 -1.840 -6.571 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.682 -0.611 -6.742 1.00 0.00 H new ATOM 260 N MET A 21 -4.188 1.571 -4.165 1.00 0.00 N ATOM 261 CA MET A 21 -4.969 2.754 -3.847 1.00 0.00 C ATOM 262 C MET A 21 -4.205 4.029 -4.210 1.00 0.00 C ATOM 263 O MET A 21 -2.988 4.095 -4.047 1.00 0.00 O ATOM 264 CB MET A 21 -5.295 2.762 -2.351 1.00 0.00 C ATOM 265 CG MET A 21 -6.531 3.617 -2.065 1.00 0.00 C ATOM 266 SD MET A 21 -7.998 2.785 -2.650 1.00 0.00 S ATOM 267 CE MET A 21 -9.241 3.968 -2.163 1.00 0.00 C ATOM 0 H MET A 21 -3.183 1.730 -4.235 1.00 0.00 H new ATOM 0 HA MET A 21 -5.890 2.727 -4.429 1.00 0.00 H new ATOM 0 HB2 MET A 21 -5.466 1.742 -2.007 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.443 3.149 -1.791 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.613 3.806 -0.995 1.00 0.00 H new ATOM 0 HG3 MET A 21 -6.434 4.587 -2.554 1.00 0.00 H new ATOM 0 HE1 MET A 21 -10.225 3.603 -2.455 1.00 0.00 H new ATOM 0 HE2 MET A 21 -9.210 4.104 -1.082 1.00 0.00 H new ATOM 0 HE3 MET A 21 -9.048 4.922 -2.654 1.00 0.00 H new ATOM 277 N HIS A 22 -4.953 5.010 -4.696 1.00 0.00 N ATOM 278 CA HIS A 22 -4.348 6.225 -5.214 1.00 0.00 C ATOM 279 C HIS A 22 -4.371 7.309 -4.136 1.00 0.00 C ATOM 280 O HIS A 22 -5.182 7.256 -3.213 1.00 0.00 O ATOM 281 CB HIS A 22 -5.033 6.663 -6.510 1.00 0.00 C ATOM 282 CG HIS A 22 -4.235 7.654 -7.322 1.00 0.00 C ATOM 283 ND1 HIS A 22 -2.899 7.715 -7.592 1.00 0.00 N flip ATOM 284 CD2 HIS A 22 -4.812 8.737 -7.960 1.00 0.00 C flip ATOM 285 CE1 HIS A 22 -2.673 8.777 -8.355 1.00 0.00 C flip ATOM 286 NE2 HIS A 22 -3.857 9.413 -8.584 1.00 0.00 N flip ATOM 0 H HIS A 22 -5.972 4.988 -4.742 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.305 6.036 -5.468 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.228 5.782 -7.121 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.000 7.103 -6.267 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -2.193 7.056 -7.263 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.862 8.989 -7.951 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.710 9.087 -8.732 1.00 0.00 H new ATOM 294 N ILE A 23 -3.469 8.269 -4.287 1.00 0.00 N ATOM 295 CA ILE A 23 -3.484 9.450 -3.441 1.00 0.00 C ATOM 296 C ILE A 23 -3.541 10.701 -4.319 1.00 0.00 C ATOM 297 O ILE A 23 -3.113 10.675 -5.472 1.00 0.00 O ATOM 298 CB ILE A 23 -2.298 9.431 -2.473 1.00 0.00 C ATOM 299 CG1 ILE A 23 -1.439 8.182 -2.685 1.00 0.00 C ATOM 300 CG2 ILE A 23 -2.770 9.563 -1.024 1.00 0.00 C ATOM 301 CD1 ILE A 23 -0.202 8.210 -1.786 1.00 0.00 C ATOM 0 H ILE A 23 -2.723 8.252 -4.983 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.377 9.459 -2.815 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.669 10.295 -2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.028 7.290 -2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.133 8.119 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.908 9.547 -0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.306 10.504 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.433 8.733 -0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.392 7.312 -1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.397 9.090 -2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.512 8.248 -0.742 1.00 0.00 H new ATOM 313 N GLU A 24 -4.074 11.768 -3.740 1.00 0.00 N ATOM 314 CA GLU A 24 -4.214 13.020 -4.464 1.00 0.00 C ATOM 315 C GLU A 24 -3.376 14.113 -3.800 1.00 0.00 C ATOM 316 O GLU A 24 -2.795 13.896 -2.738 1.00 0.00 O ATOM 317 CB GLU A 24 -5.683 13.437 -4.559 1.00 0.00 C ATOM 318 CG GLU A 24 -6.415 12.625 -5.629 1.00 0.00 C ATOM 319 CD GLU A 24 -7.910 12.947 -5.634 1.00 0.00 C ATOM 320 OE1 GLU A 24 -8.739 12.047 -5.841 1.00 0.00 O ATOM 321 OE2 GLU A 24 -8.203 14.183 -5.410 1.00 0.00 O ATOM 0 H GLU A 24 -4.414 11.791 -2.778 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.846 12.873 -5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.168 13.294 -3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.749 14.499 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.990 12.841 -6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.269 11.560 -5.446 1.00 0.00 H new ATOM 329 N SER A 25 -3.338 15.265 -4.453 1.00 0.00 N ATOM 330 CA SER A 25 -2.559 16.385 -3.953 1.00 0.00 C ATOM 331 C SER A 25 -1.125 16.302 -4.480 1.00 0.00 C ATOM 332 O SER A 25 -0.495 17.326 -4.737 1.00 0.00 O ATOM 333 CB SER A 25 -2.562 16.418 -2.423 1.00 0.00 C ATOM 334 OG SER A 25 -2.333 17.729 -1.917 1.00 0.00 O ATOM 0 H SER A 25 -3.835 15.447 -5.325 1.00 0.00 H new ATOM 0 HA SER A 25 -3.017 17.307 -4.310 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.519 16.049 -2.054 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.794 15.744 -2.044 1.00 0.00 H new ATOM 0 HG SER A 25 -2.344 17.708 -0.937 1.00 0.00 H new ATOM 340 N LEU A 26 -0.653 15.072 -4.625 1.00 0.00 N ATOM 341 CA LEU A 26 0.660 14.839 -5.204 1.00 0.00 C ATOM 342 C LEU A 26 0.533 13.847 -6.361 1.00 0.00 C ATOM 343 O LEU A 26 1.537 13.394 -6.909 1.00 0.00 O ATOM 344 CB LEU A 26 1.652 14.401 -4.124 1.00 0.00 C ATOM 345 CG LEU A 26 2.574 15.492 -3.579 1.00 0.00 C ATOM 346 CD1 LEU A 26 3.130 15.106 -2.207 1.00 0.00 C ATOM 347 CD2 LEU A 26 3.687 15.818 -4.576 1.00 0.00 C ATOM 0 H LEU A 26 -1.155 14.227 -4.352 1.00 0.00 H new ATOM 0 HA LEU A 26 1.063 15.763 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.089 13.979 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.270 13.600 -4.530 1.00 0.00 H new ATOM 0 HG LEU A 26 1.986 16.400 -3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.783 15.899 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.306 14.964 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.698 14.180 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.328 16.597 -4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.279 14.923 -4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.248 16.167 -5.511 1.00 0.00 H new ATOM 359 N ASP A 27 -0.710 13.538 -6.700 1.00 0.00 N ATOM 360 CA ASP A 27 -0.982 12.553 -7.733 1.00 0.00 C ATOM 361 C ASP A 27 -0.070 11.342 -7.529 1.00 0.00 C ATOM 362 O ASP A 27 0.545 10.857 -8.477 1.00 0.00 O ATOM 363 CB ASP A 27 -0.704 13.124 -9.124 1.00 0.00 C ATOM 364 CG ASP A 27 -1.536 14.352 -9.498 1.00 0.00 C ATOM 365 OD1 ASP A 27 -2.489 14.716 -8.793 1.00 0.00 O ATOM 366 OD2 ASP A 27 -1.167 14.953 -10.577 1.00 0.00 O ATOM 0 H ASP A 27 -1.540 13.953 -6.277 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.032 12.270 -7.662 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.352 13.386 -9.188 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.884 12.343 -9.863 1.00 0.00 H new ATOM 372 N SER A 28 -0.013 10.887 -6.285 1.00 0.00 N ATOM 373 CA SER A 28 0.843 9.767 -5.937 1.00 0.00 C ATOM 374 C SER A 28 0.031 8.469 -5.932 1.00 0.00 C ATOM 375 O SER A 28 -1.198 8.503 -5.897 1.00 0.00 O ATOM 376 CB SER A 28 1.507 9.982 -4.575 1.00 0.00 C ATOM 377 OG SER A 28 2.508 9.004 -4.308 1.00 0.00 O ATOM 0 H SER A 28 -0.546 11.274 -5.506 1.00 0.00 H new ATOM 0 HA SER A 28 1.630 9.693 -6.687 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.954 10.976 -4.542 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.749 9.947 -3.793 1.00 0.00 H new ATOM 0 HG SER A 28 2.909 9.177 -3.431 1.00 0.00 H new ATOM 383 N TYR A 29 0.751 7.358 -5.967 1.00 0.00 N ATOM 384 CA TYR A 29 0.116 6.053 -5.908 1.00 0.00 C ATOM 385 C TYR A 29 0.691 5.215 -4.765 1.00 0.00 C ATOM 386 O TYR A 29 1.902 5.200 -4.549 1.00 0.00 O ATOM 387 CB TYR A 29 0.438 5.367 -7.237 1.00 0.00 C ATOM 388 CG TYR A 29 -0.048 6.137 -8.468 1.00 0.00 C ATOM 389 CD1 TYR A 29 0.670 7.220 -8.931 1.00 0.00 C ATOM 390 CD2 TYR A 29 -1.203 5.747 -9.114 1.00 0.00 C ATOM 391 CE1 TYR A 29 0.213 7.945 -10.089 1.00 0.00 C ATOM 392 CE2 TYR A 29 -1.659 6.471 -10.272 1.00 0.00 C ATOM 393 CZ TYR A 29 -0.929 7.535 -10.702 1.00 0.00 C ATOM 394 OH TYR A 29 -1.360 8.218 -11.796 1.00 0.00 O ATOM 0 H TYR A 29 1.768 7.335 -6.036 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.956 6.155 -5.738 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.517 5.228 -7.310 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.013 4.374 -7.241 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.575 7.524 -8.425 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.765 4.899 -8.751 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.765 8.795 -10.462 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.561 6.176 -10.788 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.187 7.812 -12.130 1.00 0.00 H new ATOM 404 N THR A 30 -0.205 4.539 -4.061 1.00 0.00 N ATOM 405 CA THR A 30 0.179 3.808 -2.865 1.00 0.00 C ATOM 406 C THR A 30 -0.498 2.436 -2.837 1.00 0.00 C ATOM 407 O THR A 30 -1.194 2.065 -3.781 1.00 0.00 O ATOM 408 CB THR A 30 -0.159 4.677 -1.652 1.00 0.00 C ATOM 409 OG1 THR A 30 0.424 3.981 -0.553 1.00 0.00 O ATOM 410 CG2 THR A 30 -1.655 4.685 -1.336 1.00 0.00 C ATOM 0 H THR A 30 -1.196 4.482 -4.296 1.00 0.00 H new ATOM 0 HA THR A 30 1.250 3.607 -2.851 1.00 0.00 H new ATOM 0 HB THR A 30 0.179 5.697 -1.831 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.254 4.476 0.275 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.840 5.316 -0.467 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.206 5.075 -2.192 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.987 3.669 -1.124 1.00 0.00 H new ATOM 418 N CYS A 31 -0.273 1.722 -1.745 1.00 0.00 N ATOM 419 CA CYS A 31 -0.774 0.365 -1.621 1.00 0.00 C ATOM 420 C CYS A 31 -0.881 0.026 -0.134 1.00 0.00 C ATOM 421 O CYS A 31 0.014 0.345 0.646 1.00 0.00 O ATOM 422 CB CYS A 31 0.107 -0.635 -2.372 1.00 0.00 C ATOM 423 SG CYS A 31 -0.253 -0.786 -4.160 1.00 0.00 S ATOM 0 H CYS A 31 0.250 2.058 -0.937 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.760 0.296 -2.080 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.150 -0.342 -2.249 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.005 -1.615 -1.909 1.00 0.00 H new ATOM 428 N ASN A 32 -1.987 -0.618 0.216 1.00 0.00 N ATOM 429 CA ASN A 32 -2.176 -1.094 1.576 1.00 0.00 C ATOM 430 C ASN A 32 -1.692 -2.541 1.678 1.00 0.00 C ATOM 431 O ASN A 32 -1.999 -3.364 0.818 1.00 0.00 O ATOM 432 CB ASN A 32 -3.654 -1.061 1.969 1.00 0.00 C ATOM 433 CG ASN A 32 -4.529 -1.652 0.862 1.00 0.00 C ATOM 434 OD1 ASN A 32 -4.077 -2.401 0.011 1.00 0.00 O ATOM 435 ND2 ASN A 32 -5.803 -1.276 0.921 1.00 0.00 N ATOM 0 H ASN A 32 -2.760 -0.820 -0.418 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.610 -0.444 2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.801 -1.622 2.892 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.958 -0.033 2.168 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -6.468 -1.617 0.227 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.115 -0.646 1.660 1.00 0.00 H new ATOM 442 N CYS A 33 -0.943 -2.808 2.737 1.00 0.00 N ATOM 443 CA CYS A 33 -0.223 -4.064 2.848 1.00 0.00 C ATOM 444 C CYS A 33 -0.917 -4.925 3.905 1.00 0.00 C ATOM 445 O CYS A 33 -2.031 -4.619 4.326 1.00 0.00 O ATOM 446 CB CYS A 33 1.256 -3.843 3.173 1.00 0.00 C ATOM 447 SG CYS A 33 2.129 -2.704 2.038 1.00 0.00 S ATOM 0 H CYS A 33 -0.819 -2.175 3.527 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.243 -4.582 1.889 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.336 -3.454 4.188 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.764 -4.807 3.160 1.00 0.00 H new ATOM 452 N VAL A 34 -0.229 -5.985 4.305 1.00 0.00 N ATOM 453 CA VAL A 34 -0.865 -7.047 5.064 1.00 0.00 C ATOM 454 C VAL A 34 0.047 -7.459 6.221 1.00 0.00 C ATOM 455 O VAL A 34 1.020 -6.770 6.524 1.00 0.00 O ATOM 456 CB VAL A 34 -1.219 -8.213 4.137 1.00 0.00 C ATOM 457 CG1 VAL A 34 -1.944 -7.716 2.885 1.00 0.00 C ATOM 458 CG2 VAL A 34 0.029 -9.016 3.766 1.00 0.00 C ATOM 0 H VAL A 34 0.763 -6.130 4.117 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.802 -6.698 5.498 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.896 -8.876 4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.184 -8.564 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.864 -7.208 3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.301 -7.022 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.250 -9.838 3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.741 -8.367 3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.487 -9.416 4.671 1.00 0.00 H new ATOM 468 N ILE A 35 -0.299 -8.581 6.835 1.00 0.00 N ATOM 469 CA ILE A 35 0.468 -9.084 7.963 1.00 0.00 C ATOM 470 C ILE A 35 1.959 -9.036 7.623 1.00 0.00 C ATOM 471 O ILE A 35 2.359 -9.403 6.519 1.00 0.00 O ATOM 472 CB ILE A 35 -0.026 -10.474 8.369 1.00 0.00 C ATOM 473 CG1 ILE A 35 -1.025 -10.385 9.524 1.00 0.00 C ATOM 474 CG2 ILE A 35 1.148 -11.399 8.696 1.00 0.00 C ATOM 475 CD1 ILE A 35 -0.324 -10.574 10.871 1.00 0.00 C ATOM 0 H ILE A 35 -1.100 -9.156 6.573 1.00 0.00 H new ATOM 0 HA ILE A 35 0.320 -8.450 8.837 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.553 -10.911 7.521 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.525 -9.417 9.503 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.797 -11.145 9.402 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.769 -12.380 8.982 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.788 -11.498 7.819 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.724 -10.978 9.520 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.057 -10.506 11.675 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.155 -11.553 10.898 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.430 -9.798 11.001 1.00 0.00 H new ATOM 487 N GLY A 36 2.739 -8.579 8.591 1.00 0.00 N ATOM 488 CA GLY A 36 4.185 -8.569 8.445 1.00 0.00 C ATOM 489 C GLY A 36 4.589 -8.120 7.039 1.00 0.00 C ATOM 490 O GLY A 36 5.527 -8.663 6.456 1.00 0.00 O ATOM 0 H GLY A 36 2.397 -8.213 9.480 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.625 -7.900 9.185 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.581 -9.565 8.641 1.00 0.00 H new ATOM 494 N TYR A 37 3.862 -7.135 6.534 1.00 0.00 N ATOM 495 CA TYR A 37 4.187 -6.549 5.245 1.00 0.00 C ATOM 496 C TYR A 37 3.781 -5.075 5.194 1.00 0.00 C ATOM 497 O TYR A 37 2.617 -4.740 5.409 1.00 0.00 O ATOM 498 CB TYR A 37 3.370 -7.326 4.211 1.00 0.00 C ATOM 499 CG TYR A 37 4.079 -8.566 3.661 1.00 0.00 C ATOM 500 CD1 TYR A 37 5.285 -8.435 3.004 1.00 0.00 C ATOM 501 CD2 TYR A 37 3.513 -9.813 3.824 1.00 0.00 C ATOM 502 CE1 TYR A 37 5.953 -9.602 2.487 1.00 0.00 C ATOM 503 CE2 TYR A 37 4.180 -10.980 3.307 1.00 0.00 C ATOM 504 CZ TYR A 37 5.367 -10.817 2.664 1.00 0.00 C ATOM 505 OH TYR A 37 5.998 -11.919 2.176 1.00 0.00 O ATOM 0 H TYR A 37 3.048 -6.727 6.995 1.00 0.00 H new ATOM 0 HA TYR A 37 5.260 -6.604 5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.426 -7.631 4.663 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.126 -6.662 3.382 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.728 -7.458 2.877 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.569 -9.914 4.339 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.898 -9.514 1.971 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.747 -11.962 3.427 1.00 0.00 H new ATOM 0 HH TYR A 37 5.465 -12.717 2.376 1.00 0.00 H new ATOM 515 N SER A 38 4.764 -4.233 4.909 1.00 0.00 N ATOM 516 CA SER A 38 4.515 -2.807 4.786 1.00 0.00 C ATOM 517 C SER A 38 5.672 -2.135 4.043 1.00 0.00 C ATOM 518 O SER A 38 6.747 -2.718 3.907 1.00 0.00 O ATOM 519 CB SER A 38 4.321 -2.161 6.159 1.00 0.00 C ATOM 520 OG SER A 38 5.211 -2.700 7.133 1.00 0.00 O ATOM 0 H SER A 38 5.734 -4.511 4.760 1.00 0.00 H new ATOM 0 HA SER A 38 3.596 -2.669 4.216 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.479 -1.085 6.079 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.292 -2.309 6.487 1.00 0.00 H new ATOM 0 HG SER A 38 5.057 -2.261 7.995 1.00 0.00 H new ATOM 526 N GLY A 39 5.412 -0.922 3.581 1.00 0.00 N ATOM 527 CA GLY A 39 6.432 -0.149 2.894 1.00 0.00 C ATOM 528 C GLY A 39 5.844 0.583 1.685 1.00 0.00 C ATOM 529 O GLY A 39 6.419 0.552 0.598 1.00 0.00 O ATOM 0 H GLY A 39 4.510 -0.455 3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.871 0.573 3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.236 -0.809 2.568 1.00 0.00 H new ATOM 533 N ASP A 40 4.707 1.221 1.916 1.00 0.00 N ATOM 534 CA ASP A 40 4.030 1.949 0.856 1.00 0.00 C ATOM 535 C ASP A 40 4.184 1.184 -0.460 1.00 0.00 C ATOM 536 O ASP A 40 4.503 1.775 -1.492 1.00 0.00 O ATOM 537 CB ASP A 40 4.636 3.341 0.668 1.00 0.00 C ATOM 538 CG ASP A 40 6.146 3.362 0.424 1.00 0.00 C ATOM 539 OD1 ASP A 40 6.946 3.307 1.370 1.00 0.00 O ATOM 540 OD2 ASP A 40 6.497 3.438 -0.814 1.00 0.00 O ATOM 0 H ASP A 40 4.237 1.249 2.821 1.00 0.00 H new ATOM 0 HA ASP A 40 2.980 2.048 1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.141 3.826 -0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.418 3.938 1.553 1.00 0.00 H new ATOM 546 N ARG A 41 3.951 -0.117 -0.383 1.00 0.00 N ATOM 547 CA ARG A 41 4.150 -0.983 -1.533 1.00 0.00 C ATOM 548 C ARG A 41 4.224 -2.445 -1.090 1.00 0.00 C ATOM 549 O ARG A 41 3.905 -3.348 -1.861 1.00 0.00 O ATOM 550 CB ARG A 41 5.433 -0.617 -2.282 1.00 0.00 C ATOM 551 CG ARG A 41 5.835 -1.728 -3.255 1.00 0.00 C ATOM 552 CD ARG A 41 6.957 -1.264 -4.185 1.00 0.00 C ATOM 553 NE ARG A 41 7.697 -2.433 -4.709 1.00 0.00 N ATOM 554 CZ ARG A 41 8.418 -2.423 -5.850 1.00 0.00 C ATOM 555 NH1 ARG A 41 8.506 -1.301 -6.542 1.00 0.00 N ATOM 556 NH2 ARG A 41 9.039 -3.542 -6.279 1.00 0.00 N ATOM 0 H ARG A 41 3.626 -0.593 0.458 1.00 0.00 H new ATOM 0 HA ARG A 41 3.301 -0.846 -2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.286 0.315 -2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.239 -0.444 -1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.161 -2.605 -2.696 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.970 -2.029 -3.846 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.541 -0.687 -5.011 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.637 -0.604 -3.646 1.00 0.00 H new ATOM 0 HE ARG A 41 7.660 -3.301 -4.175 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.033 -0.460 -6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.047 -1.276 -7.406 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.966 -4.405 -5.740 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.582 -3.525 -7.142 1.00 0.00 H new ATOM 569 N CYS A 42 4.648 -2.633 0.151 1.00 0.00 N ATOM 570 CA CYS A 42 4.681 -3.961 0.738 1.00 0.00 C ATOM 571 C CYS A 42 5.987 -4.640 0.318 1.00 0.00 C ATOM 572 O CYS A 42 5.967 -5.672 -0.351 1.00 0.00 O ATOM 573 CB CYS A 42 3.456 -4.786 0.339 1.00 0.00 C ATOM 574 SG CYS A 42 1.889 -3.844 0.263 1.00 0.00 S ATOM 0 H CYS A 42 4.972 -1.887 0.766 1.00 0.00 H new ATOM 0 HA CYS A 42 4.647 -3.882 1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.641 -5.236 -0.636 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.338 -5.603 1.050 1.00 0.00 H new ATOM 579 N GLN A 43 7.091 -4.034 0.730 1.00 0.00 N ATOM 580 CA GLN A 43 8.401 -4.597 0.453 1.00 0.00 C ATOM 581 C GLN A 43 8.987 -5.224 1.719 1.00 0.00 C ATOM 582 O GLN A 43 9.605 -6.285 1.662 1.00 0.00 O ATOM 583 CB GLN A 43 9.343 -3.536 -0.120 1.00 0.00 C ATOM 584 CG GLN A 43 8.690 -2.796 -1.289 1.00 0.00 C ATOM 585 CD GLN A 43 9.287 -1.398 -1.456 1.00 0.00 C ATOM 586 OE1 GLN A 43 9.987 -1.104 -2.411 1.00 0.00 O ATOM 587 NE2 GLN A 43 8.974 -0.555 -0.476 1.00 0.00 N ATOM 0 H GLN A 43 7.105 -3.159 1.254 1.00 0.00 H new ATOM 0 HA GLN A 43 8.288 -5.379 -0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 43 9.612 -2.824 0.660 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.267 -4.008 -0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.828 -3.366 -2.208 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.616 -2.719 -1.120 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.383 -0.866 0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.325 0.402 -0.495 1.00 0.00 H new ATOM 596 N THR A 44 8.772 -4.540 2.834 1.00 0.00 N ATOM 597 CA THR A 44 9.427 -4.910 4.077 1.00 0.00 C ATOM 598 C THR A 44 8.621 -5.990 4.802 1.00 0.00 C ATOM 599 O THR A 44 7.467 -5.769 5.166 1.00 0.00 O ATOM 600 CB THR A 44 9.621 -3.639 4.906 1.00 0.00 C ATOM 601 OG1 THR A 44 10.409 -2.797 4.069 1.00 0.00 O ATOM 602 CG2 THR A 44 10.502 -3.871 6.136 1.00 0.00 C ATOM 0 H THR A 44 8.153 -3.732 2.902 1.00 0.00 H new ATOM 0 HA THR A 44 10.408 -5.348 3.892 1.00 0.00 H new ATOM 0 HB THR A 44 8.649 -3.259 5.222 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.581 -1.948 4.528 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.608 -2.938 6.689 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.041 -4.623 6.777 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.485 -4.218 5.819 1.00 0.00 H new ATOM 610 N ARG A 45 9.260 -7.135 4.990 1.00 0.00 N ATOM 611 CA ARG A 45 8.682 -8.191 5.803 1.00 0.00 C ATOM 612 C ARG A 45 8.973 -7.941 7.284 1.00 0.00 C ATOM 613 O ARG A 45 9.977 -8.416 7.812 1.00 0.00 O ATOM 614 CB ARG A 45 9.239 -9.560 5.405 1.00 0.00 C ATOM 615 CG ARG A 45 8.758 -9.962 4.009 1.00 0.00 C ATOM 616 CD ARG A 45 9.585 -11.125 3.460 1.00 0.00 C ATOM 617 NE ARG A 45 9.064 -11.536 2.136 1.00 0.00 N ATOM 618 CZ ARG A 45 8.963 -12.819 1.728 1.00 0.00 C ATOM 619 NH1 ARG A 45 9.383 -13.780 2.528 1.00 0.00 N ATOM 620 NH2 ARG A 45 8.440 -13.113 0.518 1.00 0.00 N ATOM 0 H ARG A 45 10.173 -7.355 4.593 1.00 0.00 H new ATOM 0 HA ARG A 45 7.605 -8.186 5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.328 -9.533 5.425 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.925 -10.310 6.132 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.706 -10.246 4.050 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.831 -9.108 3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.631 -10.829 3.373 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.548 -11.967 4.152 1.00 0.00 H new ATOM 0 HE ARG A 45 8.763 -10.804 1.492 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.777 -13.549 3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.314 -14.754 2.235 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.118 -12.363 -0.094 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.367 -14.085 0.216 1.00 0.00 H new ATOM 633 N ASP A 46 8.077 -7.194 7.913 1.00 0.00 N ATOM 634 CA ASP A 46 8.285 -6.774 9.287 1.00 0.00 C ATOM 635 C ASP A 46 8.395 -8.009 10.183 1.00 0.00 C ATOM 636 O ASP A 46 9.476 -8.328 10.678 1.00 0.00 O ATOM 637 CB ASP A 46 7.113 -5.929 9.788 1.00 0.00 C ATOM 638 CG ASP A 46 7.113 -4.474 9.312 1.00 0.00 C ATOM 639 OD1 ASP A 46 7.318 -4.193 8.122 1.00 0.00 O ATOM 640 OD2 ASP A 46 6.887 -3.600 10.232 1.00 0.00 O ATOM 0 H ASP A 46 7.205 -6.869 7.495 1.00 0.00 H new ATOM 0 HA ASP A 46 9.199 -6.181 9.323 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.183 -6.400 9.469 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.118 -5.939 10.878 1.00 0.00 H new ATOM 646 N LEU A 47 7.262 -8.672 10.365 1.00 0.00 N ATOM 647 CA LEU A 47 7.212 -9.850 11.212 1.00 0.00 C ATOM 648 C LEU A 47 7.077 -11.097 10.335 1.00 0.00 C ATOM 649 O LEU A 47 6.899 -10.991 9.123 1.00 0.00 O ATOM 650 CB LEU A 47 6.106 -9.711 12.260 1.00 0.00 C ATOM 651 CG LEU A 47 6.181 -8.473 13.154 1.00 0.00 C ATOM 652 CD1 LEU A 47 7.634 -8.091 13.440 1.00 0.00 C ATOM 653 CD2 LEU A 47 5.391 -7.311 12.549 1.00 0.00 C ATOM 0 H LEU A 47 6.371 -8.415 9.940 1.00 0.00 H new ATOM 0 HA LEU A 47 8.139 -9.954 11.775 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.145 -9.706 11.746 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.123 -10.596 12.896 1.00 0.00 H new ATOM 0 HG LEU A 47 5.717 -8.714 14.111 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.659 -7.207 14.078 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.135 -8.917 13.945 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.145 -7.876 12.502 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.461 -6.443 13.205 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.803 -7.061 11.571 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.346 -7.600 12.439 1.00 0.00 H new ATOM 665 N ARG A 48 7.165 -12.250 10.983 1.00 0.00 N ATOM 666 CA ARG A 48 7.012 -13.514 10.285 1.00 0.00 C ATOM 667 C ARG A 48 7.060 -14.677 11.277 1.00 0.00 C ATOM 668 O ARG A 48 7.970 -15.505 11.225 1.00 0.00 O ATOM 669 CB ARG A 48 8.112 -13.700 9.237 1.00 0.00 C ATOM 670 CG ARG A 48 7.531 -13.677 7.822 1.00 0.00 C ATOM 671 CD ARG A 48 8.591 -13.261 6.800 1.00 0.00 C ATOM 672 NE ARG A 48 9.588 -14.342 6.637 1.00 0.00 N ATOM 673 CZ ARG A 48 10.857 -14.145 6.223 1.00 0.00 C ATOM 674 NH1 ARG A 48 11.289 -12.910 6.048 1.00 0.00 N ATOM 675 NH2 ARG A 48 11.674 -15.195 5.992 1.00 0.00 N ATOM 0 H ARG A 48 7.340 -12.334 11.984 1.00 0.00 H new ATOM 0 HA ARG A 48 6.045 -13.501 9.782 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.856 -12.910 9.341 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.626 -14.646 9.408 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.144 -14.664 7.568 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.690 -12.984 7.782 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.119 -13.043 5.842 1.00 0.00 H new ATOM 0 HD3 ARG A 48 9.085 -12.346 7.128 1.00 0.00 H new ATOM 0 HE ARG A 48 9.298 -15.296 6.851 1.00 0.00 H new ATOM 0 HH11 ARG A 48 10.666 -12.122 6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.246 -12.744 5.735 1.00 0.00 H new ATOM 0 HH21 ARG A 48 11.333 -16.146 6.130 1.00 0.00 H new ATOM 0 HH22 ARG A 48 12.632 -15.037 5.679 1.00 0.00 H new ATOM 688 N TRP A 49 6.071 -14.704 12.158 1.00 0.00 N ATOM 689 CA TRP A 49 5.914 -15.821 13.073 1.00 0.00 C ATOM 690 C TRP A 49 4.977 -16.839 12.421 1.00 0.00 C ATOM 691 O TRP A 49 4.323 -17.619 13.113 1.00 0.00 O ATOM 692 CB TRP A 49 5.418 -15.343 14.440 1.00 0.00 C ATOM 693 CG TRP A 49 4.241 -14.369 14.369 1.00 0.00 C ATOM 694 CD1 TRP A 49 2.993 -14.612 13.949 1.00 0.00 C ATOM 695 CD2 TRP A 49 4.253 -12.977 14.751 1.00 0.00 C ATOM 696 NE1 TRP A 49 2.202 -13.484 14.030 1.00 0.00 N ATOM 697 CE2 TRP A 49 2.994 -12.458 14.533 1.00 0.00 C ATOM 698 CE3 TRP A 49 5.294 -12.183 15.262 1.00 0.00 C ATOM 699 CZ2 TRP A 49 2.657 -11.125 14.799 1.00 0.00 C ATOM 700 CZ3 TRP A 49 4.942 -10.853 15.523 1.00 0.00 C ATOM 701 CH2 TRP A 49 3.678 -10.315 15.309 1.00 0.00 C ATOM 0 H TRP A 49 5.370 -13.970 12.257 1.00 0.00 H new ATOM 0 HA TRP A 49 6.873 -16.302 13.262 1.00 0.00 H new ATOM 0 HB2 TRP A 49 5.124 -16.210 15.032 1.00 0.00 H new ATOM 0 HB3 TRP A 49 6.243 -14.863 14.967 1.00 0.00 H new ATOM 0 HD1 TRP A 49 2.648 -15.571 13.591 1.00 0.00 H new ATOM 0 HE1 TRP A 49 1.218 -13.416 13.769 1.00 0.00 H new ATOM 0 HE3 TRP A 49 6.287 -12.568 15.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.663 -10.743 14.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 5.706 -10.200 15.918 1.00 0.00 H new ATOM 0 HH2 TRP A 49 3.485 -9.277 15.535 1.00 0.00 H new ATOM 712 N TRP A 50 4.943 -16.800 11.098 1.00 0.00 N ATOM 713 CA TRP A 50 4.171 -17.771 10.340 1.00 0.00 C ATOM 714 C TRP A 50 5.088 -18.381 9.279 1.00 0.00 C ATOM 715 O TRP A 50 4.616 -18.893 8.266 1.00 0.00 O ATOM 716 CB TRP A 50 2.914 -17.130 9.747 1.00 0.00 C ATOM 717 CG TRP A 50 3.186 -15.852 8.951 1.00 0.00 C ATOM 718 CD1 TRP A 50 3.268 -15.710 7.621 1.00 0.00 C ATOM 719 CD2 TRP A 50 3.405 -14.532 9.492 1.00 0.00 C ATOM 720 NE1 TRP A 50 3.525 -14.402 7.267 1.00 0.00 N ATOM 721 CE2 TRP A 50 3.611 -13.663 8.441 1.00 0.00 C ATOM 722 CE3 TRP A 50 3.430 -14.088 10.826 1.00 0.00 C ATOM 723 CZ2 TRP A 50 3.856 -12.295 8.614 1.00 0.00 C ATOM 724 CZ3 TRP A 50 3.677 -12.720 10.982 1.00 0.00 C ATOM 725 CH2 TRP A 50 3.886 -11.831 9.935 1.00 0.00 C ATOM 0 H TRP A 50 5.437 -16.111 10.531 1.00 0.00 H new ATOM 0 HA TRP A 50 3.812 -18.569 10.990 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.421 -17.853 9.097 1.00 0.00 H new ATOM 0 HB3 TRP A 50 2.219 -16.902 10.555 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.148 -16.518 6.915 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.632 -14.043 6.318 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.271 -14.751 11.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 4.013 -11.634 7.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.707 -12.327 11.988 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.071 -10.787 10.139 1.00 0.00 H new ATOM 736 N GLU A 51 6.384 -18.307 9.550 1.00 0.00 N ATOM 737 CA GLU A 51 7.373 -18.821 8.619 1.00 0.00 C ATOM 738 C GLU A 51 8.685 -19.114 9.347 1.00 0.00 C ATOM 739 O GLU A 51 9.193 -20.233 9.294 1.00 0.00 O ATOM 740 CB GLU A 51 7.594 -17.848 7.460 1.00 0.00 C ATOM 741 CG GLU A 51 8.341 -18.525 6.308 1.00 0.00 C ATOM 742 CD GLU A 51 8.726 -17.510 5.231 1.00 0.00 C ATOM 743 OE1 GLU A 51 9.921 -17.257 5.015 1.00 0.00 O ATOM 744 OE2 GLU A 51 7.732 -16.976 4.606 1.00 0.00 O ATOM 0 H GLU A 51 6.771 -17.899 10.401 1.00 0.00 H new ATOM 0 HA GLU A 51 6.997 -19.754 8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.633 -17.475 7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.162 -16.985 7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.238 -19.014 6.689 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.715 -19.303 5.872 1.00 0.00 H new ATOM 752 N LEU A 52 9.198 -18.088 10.012 1.00 0.00 N ATOM 753 CA LEU A 52 10.442 -18.221 10.750 1.00 0.00 C ATOM 754 C LEU A 52 10.154 -18.846 12.116 1.00 0.00 C ATOM 755 O LEU A 52 10.816 -19.803 12.517 1.00 0.00 O ATOM 756 CB LEU A 52 11.164 -16.874 10.829 1.00 0.00 C ATOM 757 CG LEU A 52 11.578 -16.255 9.493 1.00 0.00 C ATOM 758 CD1 LEU A 52 12.048 -14.811 9.680 1.00 0.00 C ATOM 759 CD2 LEU A 52 12.632 -17.115 8.793 1.00 0.00 C ATOM 0 H LEU A 52 8.774 -17.161 10.055 1.00 0.00 H new ATOM 0 HA LEU A 52 11.125 -18.892 10.229 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.517 -16.168 11.349 1.00 0.00 H new ATOM 0 HB3 LEU A 52 12.057 -16.998 11.441 1.00 0.00 H new ATOM 0 HG LEU A 52 10.703 -16.227 8.844 1.00 0.00 H new ATOM 0 HD11 LEU A 52 12.337 -14.394 8.715 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.239 -14.217 10.104 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.904 -14.791 10.354 1.00 0.00 H new ATOM 0 HD21 LEU A 52 12.909 -16.652 7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.514 -17.198 9.428 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.225 -18.109 8.606 1.00 0.00 H new ATOM 771 N ARG A 53 9.167 -18.281 12.794 1.00 0.00 N ATOM 772 CA ARG A 53 8.783 -18.771 14.107 1.00 0.00 C ATOM 773 C ARG A 53 10.011 -18.874 15.014 1.00 0.00 C ATOM 774 O ARG A 53 10.568 -17.859 15.428 1.00 0.00 O ATOM 775 CB ARG A 53 8.114 -20.142 14.010 1.00 0.00 C ATOM 776 CG ARG A 53 6.763 -20.044 13.297 1.00 0.00 C ATOM 777 CD ARG A 53 6.159 -21.431 13.072 1.00 0.00 C ATOM 778 NE ARG A 53 6.897 -22.136 12.001 1.00 0.00 N ATOM 779 CZ ARG A 53 6.587 -22.054 10.689 1.00 0.00 C ATOM 780 NH1 ARG A 53 5.541 -21.337 10.322 1.00 0.00 N ATOM 781 NH2 ARG A 53 7.335 -22.697 9.767 1.00 0.00 N ATOM 782 OXT ARG A 53 10.387 -20.077 15.289 1.00 0.00 O ATOM 0 H ARG A 53 8.621 -17.488 12.459 1.00 0.00 H new ATOM 0 HA ARG A 53 8.072 -18.062 14.530 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.765 -20.831 13.471 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.973 -20.553 15.010 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.078 -19.437 13.890 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.889 -19.539 12.339 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.201 -22.009 13.995 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.107 -21.339 12.801 1.00 0.00 H new ATOM 0 HE ARG A 53 7.689 -22.720 12.270 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.981 -20.855 11.025 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.293 -21.265 9.335 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.141 -23.250 10.059 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.094 -22.630 8.778 1.00 0.00 H new TER 796 ARG A 53