USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 421 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 23 TYR OH : rot 30:sc= -1.01 USER MOD Set 1.2: A 25 HIS : no HD1:sc= -1.82 K(o=-2.8,f=-6.6!) USER MOD Single : A 1 GLU N :NH3+ 146:sc= -0.125 (180deg=-1.02) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0035 X(o=-0.0035,f=-0.22) USER MOD Single : A 10 GLN : amide:sc= -2.18 K(o=-2.2,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 160:sc= -0.478 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -4.07! C(o=-4.1!,f=-6!) USER MOD Single : A 33 ASN : amide:sc= -0.0138 X(o=-0.014,f=-0.1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.933 K(o=-0.93,f=0) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 8.943 -13.513 17.274 1.00 0.00 N ATOM 2 CA GLU A 1 9.326 -12.250 16.667 1.00 0.00 C ATOM 3 C GLU A 1 10.337 -12.486 15.544 1.00 0.00 C ATOM 4 O GLU A 1 11.459 -12.924 15.795 1.00 0.00 O ATOM 5 CB GLU A 1 9.887 -11.286 17.715 1.00 0.00 C ATOM 6 CG GLU A 1 11.044 -11.925 18.485 1.00 0.00 C ATOM 7 CD GLU A 1 12.359 -11.195 18.204 1.00 0.00 C ATOM 8 OE1 GLU A 1 12.373 -9.960 18.393 1.00 0.00 O ATOM 9 OE2 GLU A 1 13.320 -11.889 17.807 1.00 0.00 O ATOM 0 H1 GLU A 1 8.769 -13.371 18.289 1.00 0.00 H new ATOM 0 H2 GLU A 1 8.077 -13.868 16.820 1.00 0.00 H new ATOM 0 H3 GLU A 1 9.709 -14.205 17.147 1.00 0.00 H new ATOM 0 HA GLU A 1 8.435 -11.791 16.238 1.00 0.00 H new ATOM 0 HB2 GLU A 1 10.230 -10.373 17.228 1.00 0.00 H new ATOM 0 HB3 GLU A 1 9.098 -10.999 18.410 1.00 0.00 H new ATOM 0 HG2 GLU A 1 10.832 -11.901 19.554 1.00 0.00 H new ATOM 0 HG3 GLU A 1 11.138 -12.974 18.203 1.00 0.00 H new ATOM 16 N GLU A 2 9.904 -12.185 14.328 1.00 0.00 N ATOM 17 CA GLU A 2 10.757 -12.360 13.165 1.00 0.00 C ATOM 18 C GLU A 2 10.011 -11.950 11.893 1.00 0.00 C ATOM 19 O GLU A 2 10.408 -11.005 11.214 1.00 0.00 O ATOM 20 CB GLU A 2 11.261 -13.801 13.065 1.00 0.00 C ATOM 21 CG GLU A 2 12.676 -13.848 12.486 1.00 0.00 C ATOM 22 CD GLU A 2 13.157 -15.292 12.331 1.00 0.00 C ATOM 23 OE1 GLU A 2 13.630 -15.845 13.348 1.00 0.00 O ATOM 24 OE2 GLU A 2 13.041 -15.811 11.200 1.00 0.00 O ATOM 0 H GLU A 2 8.973 -11.821 14.123 1.00 0.00 H new ATOM 0 HA GLU A 2 11.627 -11.713 13.277 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.253 -14.262 14.053 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.587 -14.383 12.436 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.693 -13.349 11.517 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.358 -13.302 13.138 1.00 0.00 H new ATOM 31 N TYR A 3 8.944 -12.683 11.610 1.00 0.00 N ATOM 32 CA TYR A 3 8.139 -12.408 10.432 1.00 0.00 C ATOM 33 C TYR A 3 6.746 -11.911 10.824 1.00 0.00 C ATOM 34 O TYR A 3 5.814 -12.703 10.953 1.00 0.00 O ATOM 35 CB TYR A 3 8.003 -13.741 9.694 1.00 0.00 C ATOM 36 CG TYR A 3 6.884 -13.763 8.651 1.00 0.00 C ATOM 37 CD1 TYR A 3 6.910 -12.879 7.592 1.00 0.00 C ATOM 38 CD2 TYR A 3 5.848 -14.668 8.769 1.00 0.00 C ATOM 39 CE1 TYR A 3 5.856 -12.900 6.610 1.00 0.00 C ATOM 40 CE2 TYR A 3 4.795 -14.689 7.788 1.00 0.00 C ATOM 41 CZ TYR A 3 4.851 -13.804 6.757 1.00 0.00 C ATOM 42 OH TYR A 3 3.856 -13.824 5.830 1.00 0.00 O ATOM 0 H TYR A 3 8.618 -13.467 12.176 1.00 0.00 H new ATOM 0 HA TYR A 3 8.606 -11.637 9.819 1.00 0.00 H new ATOM 0 HB2 TYR A 3 8.948 -13.971 9.203 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.822 -14.531 10.423 1.00 0.00 H new ATOM 0 HD1 TYR A 3 7.720 -12.171 7.499 1.00 0.00 H new ATOM 0 HD2 TYR A 3 5.828 -15.360 9.598 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.864 -12.214 5.776 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.979 -15.392 7.869 1.00 0.00 H new ATOM 0 HH TYR A 3 3.207 -14.521 6.062 1.00 0.00 H new ATOM 52 N VAL A 4 6.648 -10.602 11.002 1.00 0.00 N ATOM 53 CA VAL A 4 5.384 -9.990 11.377 1.00 0.00 C ATOM 54 C VAL A 4 5.150 -8.746 10.517 1.00 0.00 C ATOM 55 O VAL A 4 5.842 -7.741 10.672 1.00 0.00 O ATOM 56 CB VAL A 4 5.372 -9.690 12.877 1.00 0.00 C ATOM 57 CG1 VAL A 4 4.857 -10.892 13.672 1.00 0.00 C ATOM 58 CG2 VAL A 4 6.760 -9.266 13.363 1.00 0.00 C ATOM 0 H VAL A 4 7.423 -9.948 10.894 1.00 0.00 H new ATOM 0 HA VAL A 4 4.558 -10.676 11.190 1.00 0.00 H new ATOM 0 HB VAL A 4 4.689 -8.858 13.047 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.859 -10.653 14.735 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.842 -11.130 13.355 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.504 -11.751 13.493 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.723 -9.059 14.432 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.473 -10.068 13.173 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.074 -8.368 12.830 1.00 0.00 H new ATOM 68 N GLY A 5 4.174 -8.856 9.628 1.00 0.00 N ATOM 69 CA GLY A 5 3.840 -7.752 8.744 1.00 0.00 C ATOM 70 C GLY A 5 2.326 -7.539 8.679 1.00 0.00 C ATOM 71 O GLY A 5 1.614 -8.311 8.038 1.00 0.00 O ATOM 0 H GLY A 5 3.604 -9.692 9.501 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.324 -6.841 9.096 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.226 -7.953 7.744 1.00 0.00 H new ATOM 75 N LEU A 6 1.879 -6.489 9.352 1.00 0.00 N ATOM 76 CA LEU A 6 0.463 -6.166 9.380 1.00 0.00 C ATOM 77 C LEU A 6 0.256 -4.755 8.825 1.00 0.00 C ATOM 78 O LEU A 6 -0.490 -4.564 7.866 1.00 0.00 O ATOM 79 CB LEU A 6 -0.104 -6.362 10.787 1.00 0.00 C ATOM 80 CG LEU A 6 0.874 -6.138 11.942 1.00 0.00 C ATOM 81 CD1 LEU A 6 0.135 -5.711 13.212 1.00 0.00 C ATOM 82 CD2 LEU A 6 1.741 -7.378 12.174 1.00 0.00 C ATOM 0 H LEU A 6 2.473 -5.851 9.882 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.096 -6.847 8.739 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.948 -5.684 10.915 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.496 -7.376 10.861 1.00 0.00 H new ATOM 0 HG LEU A 6 1.543 -5.322 11.669 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.854 -5.559 14.017 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.403 -4.782 13.025 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.573 -6.488 13.500 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.427 -7.193 13.000 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.103 -8.228 12.416 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.311 -7.598 11.271 1.00 0.00 H new ATOM 94 N SER A 7 0.930 -3.802 9.452 1.00 0.00 N ATOM 95 CA SER A 7 0.830 -2.414 9.033 1.00 0.00 C ATOM 96 C SER A 7 2.144 -1.685 9.317 1.00 0.00 C ATOM 97 O SER A 7 2.803 -1.954 10.321 1.00 0.00 O ATOM 98 CB SER A 7 -0.331 -1.709 9.737 1.00 0.00 C ATOM 99 OG SER A 7 -0.075 -1.515 11.126 1.00 0.00 O ATOM 0 H SER A 7 1.548 -3.964 10.247 1.00 0.00 H new ATOM 0 HA SER A 7 0.636 -2.394 7.961 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.510 -0.744 9.263 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.240 -2.298 9.615 1.00 0.00 H new ATOM 0 HG SER A 7 -0.839 -1.061 11.539 1.00 0.00 H new ATOM 105 N ALA A 8 2.487 -0.777 8.416 1.00 0.00 N ATOM 106 CA ALA A 8 3.711 -0.007 8.557 1.00 0.00 C ATOM 107 C ALA A 8 4.883 -0.813 7.993 1.00 0.00 C ATOM 108 O ALA A 8 5.415 -0.484 6.934 1.00 0.00 O ATOM 109 CB ALA A 8 3.914 0.366 10.027 1.00 0.00 C ATOM 0 H ALA A 8 1.938 -0.557 7.585 1.00 0.00 H new ATOM 0 HA ALA A 8 3.647 0.922 7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.832 0.944 10.132 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.069 0.962 10.371 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.986 -0.542 10.626 1.00 0.00 H new ATOM 115 N ASN A 9 5.251 -1.854 8.726 1.00 0.00 N ATOM 116 CA ASN A 9 6.350 -2.709 8.312 1.00 0.00 C ATOM 117 C ASN A 9 6.152 -3.116 6.851 1.00 0.00 C ATOM 118 O ASN A 9 7.122 -3.284 6.113 1.00 0.00 O ATOM 119 CB ASN A 9 6.402 -3.985 9.155 1.00 0.00 C ATOM 120 CG ASN A 9 7.848 -4.393 9.444 1.00 0.00 C ATOM 121 OD1 ASN A 9 8.751 -4.180 8.652 1.00 0.00 O ATOM 122 ND2 ASN A 9 8.017 -4.988 10.621 1.00 0.00 N ATOM 0 H ASN A 9 4.807 -2.124 9.604 1.00 0.00 H new ATOM 0 HA ASN A 9 7.278 -2.152 8.442 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.871 -3.827 10.093 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.890 -4.792 8.631 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.946 -5.297 10.908 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.218 -5.136 11.237 1.00 0.00 H new ATOM 129 N GLN A 10 4.890 -3.262 6.476 1.00 0.00 N ATOM 130 CA GLN A 10 4.552 -3.645 5.116 1.00 0.00 C ATOM 131 C GLN A 10 4.598 -2.425 4.194 1.00 0.00 C ATOM 132 O GLN A 10 5.027 -2.526 3.045 1.00 0.00 O ATOM 133 CB GLN A 10 3.182 -4.324 5.061 1.00 0.00 C ATOM 134 CG GLN A 10 2.168 -3.583 5.936 1.00 0.00 C ATOM 135 CD GLN A 10 0.736 -3.878 5.485 1.00 0.00 C ATOM 136 OE1 GLN A 10 -0.079 -2.990 5.299 1.00 0.00 O ATOM 137 NE2 GLN A 10 0.477 -5.172 5.321 1.00 0.00 N ATOM 0 H GLN A 10 4.088 -3.122 7.091 1.00 0.00 H new ATOM 0 HA GLN A 10 5.291 -4.366 4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.827 -4.352 4.031 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.270 -5.357 5.396 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.294 -3.881 6.977 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.355 -2.510 5.887 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.206 -5.864 5.494 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.451 -5.473 5.022 1.00 0.00 H new ATOM 146 N CYS A 11 4.149 -1.301 4.731 1.00 0.00 N ATOM 147 CA CYS A 11 4.132 -0.062 3.970 1.00 0.00 C ATOM 148 C CYS A 11 5.210 0.864 4.537 1.00 0.00 C ATOM 149 O CYS A 11 4.973 2.056 4.724 1.00 0.00 O ATOM 150 CB CYS A 11 2.750 0.593 3.987 1.00 0.00 C ATOM 151 SG CYS A 11 1.361 -0.551 4.318 1.00 0.00 S ATOM 0 H CYS A 11 3.794 -1.221 5.684 1.00 0.00 H new ATOM 0 HA CYS A 11 4.349 -0.272 2.923 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.745 1.377 4.744 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.582 1.078 3.025 1.00 0.00 H new ATOM 156 N ALA A 12 6.371 0.280 4.795 1.00 0.00 N ATOM 157 CA ALA A 12 7.486 1.037 5.337 1.00 0.00 C ATOM 158 C ALA A 12 8.469 1.366 4.211 1.00 0.00 C ATOM 159 O ALA A 12 9.682 1.310 4.405 1.00 0.00 O ATOM 160 CB ALA A 12 8.141 0.244 6.469 1.00 0.00 C ATOM 0 H ALA A 12 6.563 -0.709 4.639 1.00 0.00 H new ATOM 0 HA ALA A 12 7.139 1.980 5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.978 0.813 6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.410 0.062 7.256 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.503 -0.709 6.083 1.00 0.00 H new ATOM 166 N VAL A 13 7.908 1.702 3.058 1.00 0.00 N ATOM 167 CA VAL A 13 8.720 2.040 1.902 1.00 0.00 C ATOM 168 C VAL A 13 8.959 3.551 1.876 1.00 0.00 C ATOM 169 O VAL A 13 8.157 4.319 2.403 1.00 0.00 O ATOM 170 CB VAL A 13 8.055 1.518 0.626 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.081 0.854 -0.294 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.912 0.557 0.957 1.00 0.00 C ATOM 0 H VAL A 13 6.901 1.747 2.900 1.00 0.00 H new ATOM 0 HA VAL A 13 9.695 1.558 1.966 1.00 0.00 H new ATOM 0 HB VAL A 13 7.632 2.371 0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.583 0.492 -1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.846 1.580 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.547 0.016 0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.457 0.201 0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.301 -0.291 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.162 1.076 1.554 1.00 0.00 H new ATOM 182 N PRO A 14 10.097 3.941 1.241 1.00 0.00 N ATOM 183 CA PRO A 14 10.453 5.347 1.139 1.00 0.00 C ATOM 184 C PRO A 14 9.586 6.058 0.098 1.00 0.00 C ATOM 185 O PRO A 14 8.881 7.013 0.420 1.00 0.00 O ATOM 186 CB PRO A 14 11.931 5.354 0.787 1.00 0.00 C ATOM 187 CG PRO A 14 12.238 3.966 0.249 1.00 0.00 C ATOM 188 CD PRO A 14 11.071 3.059 0.605 1.00 0.00 C ATOM 0 HA PRO A 14 10.276 5.894 2.065 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.152 6.119 0.043 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.540 5.577 1.663 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.381 3.998 -0.831 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.163 3.585 0.681 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.654 2.583 -0.283 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.381 2.260 1.279 1.00 0.00 H new ATOM 196 N ALA A 15 9.667 5.564 -1.129 1.00 0.00 N ATOM 197 CA ALA A 15 8.899 6.141 -2.219 1.00 0.00 C ATOM 198 C ALA A 15 9.514 5.712 -3.553 1.00 0.00 C ATOM 199 O ALA A 15 8.831 5.683 -4.575 1.00 0.00 O ATOM 200 CB ALA A 15 8.850 7.662 -2.062 1.00 0.00 C ATOM 0 H ALA A 15 10.252 4.771 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 15 7.871 5.779 -2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.274 8.094 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.378 7.915 -1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.864 8.063 -2.081 1.00 0.00 H new ATOM 206 N LYS A 16 10.798 5.390 -3.500 1.00 0.00 N ATOM 207 CA LYS A 16 11.514 4.964 -4.691 1.00 0.00 C ATOM 208 C LYS A 16 11.469 3.438 -4.789 1.00 0.00 C ATOM 209 O LYS A 16 12.025 2.856 -5.719 1.00 0.00 O ATOM 210 CB LYS A 16 12.931 5.540 -4.699 1.00 0.00 C ATOM 211 CG LYS A 16 13.774 4.937 -3.574 1.00 0.00 C ATOM 212 CD LYS A 16 14.431 3.630 -4.021 1.00 0.00 C ATOM 213 CE LYS A 16 15.519 3.198 -3.035 1.00 0.00 C ATOM 214 NZ LYS A 16 16.705 2.691 -3.761 1.00 0.00 N ATOM 0 H LYS A 16 11.362 5.416 -2.650 1.00 0.00 H new ATOM 0 HA LYS A 16 11.031 5.355 -5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.404 5.339 -5.660 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.888 6.623 -4.585 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.542 5.648 -3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.146 4.753 -2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.676 2.848 -4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.864 3.757 -5.013 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.804 4.041 -2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.132 2.423 -2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.433 2.402 -3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.433 1.873 -4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.084 3.441 -4.374 1.00 0.00 H new ATOM 228 N ASP A 17 10.803 2.834 -3.816 1.00 0.00 N ATOM 229 CA ASP A 17 10.678 1.386 -3.781 1.00 0.00 C ATOM 230 C ASP A 17 9.200 1.003 -3.878 1.00 0.00 C ATOM 231 O ASP A 17 8.836 -0.146 -3.632 1.00 0.00 O ATOM 232 CB ASP A 17 11.230 0.818 -2.473 1.00 0.00 C ATOM 233 CG ASP A 17 12.533 0.027 -2.609 1.00 0.00 C ATOM 234 OD1 ASP A 17 13.070 0.010 -3.738 1.00 0.00 O ATOM 235 OD2 ASP A 17 12.962 -0.542 -1.582 1.00 0.00 O ATOM 0 H ASP A 17 10.344 3.320 -3.046 1.00 0.00 H new ATOM 0 HA ASP A 17 11.244 0.978 -4.618 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.393 1.641 -1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.474 0.170 -2.028 1.00 0.00 H new ATOM 240 N ARG A 18 8.389 1.988 -4.235 1.00 0.00 N ATOM 241 CA ARG A 18 6.959 1.768 -4.367 1.00 0.00 C ATOM 242 C ARG A 18 6.654 1.019 -5.666 1.00 0.00 C ATOM 243 O ARG A 18 6.833 1.561 -6.756 1.00 0.00 O ATOM 244 CB ARG A 18 6.195 3.094 -4.360 1.00 0.00 C ATOM 245 CG ARG A 18 6.719 4.023 -3.263 1.00 0.00 C ATOM 246 CD ARG A 18 6.531 3.398 -1.879 1.00 0.00 C ATOM 247 NE ARG A 18 6.774 4.412 -0.828 1.00 0.00 N ATOM 248 CZ ARG A 18 6.018 5.503 -0.648 1.00 0.00 C ATOM 249 NH1 ARG A 18 4.966 5.729 -1.447 1.00 0.00 N ATOM 250 NH2 ARG A 18 6.314 6.369 0.331 1.00 0.00 N ATOM 0 H ARG A 18 8.695 2.940 -4.437 1.00 0.00 H new ATOM 0 HA ARG A 18 6.636 1.170 -3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.294 3.580 -5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.133 2.905 -4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.776 4.231 -3.432 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.195 4.978 -3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.521 3.000 -1.785 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.217 2.560 -1.753 1.00 0.00 H new ATOM 0 HE ARG A 18 7.567 4.271 -0.202 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.741 5.070 -2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.390 6.560 -1.310 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.115 6.197 0.939 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.738 7.200 0.468 1.00 0.00 H new ATOM 264 N VAL A 19 6.199 -0.215 -5.507 1.00 0.00 N ATOM 265 CA VAL A 19 5.868 -1.044 -6.653 1.00 0.00 C ATOM 266 C VAL A 19 4.564 -0.545 -7.279 1.00 0.00 C ATOM 267 O VAL A 19 4.215 -0.937 -8.391 1.00 0.00 O ATOM 268 CB VAL A 19 5.805 -2.515 -6.235 1.00 0.00 C ATOM 269 CG1 VAL A 19 6.013 -3.436 -7.439 1.00 0.00 C ATOM 270 CG2 VAL A 19 6.823 -2.815 -5.133 1.00 0.00 C ATOM 0 H VAL A 19 6.052 -0.661 -4.601 1.00 0.00 H new ATOM 0 HA VAL A 19 6.644 -0.969 -7.415 1.00 0.00 H new ATOM 0 HB VAL A 19 4.810 -2.708 -5.834 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.964 -4.475 -7.115 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.235 -3.249 -8.179 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.989 -3.240 -7.882 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.758 -3.867 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.827 -2.598 -5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.610 -2.195 -4.262 1.00 0.00 H new ATOM 280 N ASP A 20 3.879 0.313 -6.536 1.00 0.00 N ATOM 281 CA ASP A 20 2.621 0.870 -7.004 1.00 0.00 C ATOM 282 C ASP A 20 1.625 -0.265 -7.249 1.00 0.00 C ATOM 283 O ASP A 20 1.860 -1.131 -8.090 1.00 0.00 O ATOM 284 CB ASP A 20 2.810 1.626 -8.321 1.00 0.00 C ATOM 285 CG ASP A 20 1.519 1.920 -9.088 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.881 0.938 -9.524 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.199 3.122 -9.221 1.00 0.00 O ATOM 0 H ASP A 20 4.172 0.636 -5.614 1.00 0.00 H new ATOM 0 HA ASP A 20 2.253 1.558 -6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.314 2.570 -8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.473 1.046 -8.964 1.00 0.00 H new ATOM 292 N CYS A 21 0.534 -0.224 -6.498 1.00 0.00 N ATOM 293 CA CYS A 21 -0.499 -1.238 -6.622 1.00 0.00 C ATOM 294 C CYS A 21 -1.407 -0.857 -7.793 1.00 0.00 C ATOM 295 O CYS A 21 -2.202 -1.673 -8.258 1.00 0.00 O ATOM 296 CB CYS A 21 -1.285 -1.408 -5.321 1.00 0.00 C ATOM 297 SG CYS A 21 -1.646 -3.143 -4.863 1.00 0.00 S ATOM 0 H CYS A 21 0.343 0.496 -5.801 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.040 -2.207 -6.820 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.724 -0.942 -4.511 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.227 -0.867 -5.409 1.00 0.00 H new ATOM 302 N GLY A 22 -1.261 0.383 -8.235 1.00 0.00 N ATOM 303 CA GLY A 22 -2.058 0.882 -9.342 1.00 0.00 C ATOM 304 C GLY A 22 -3.553 0.742 -9.048 1.00 0.00 C ATOM 305 O GLY A 22 -4.202 -0.182 -9.537 1.00 0.00 O ATOM 0 H GLY A 22 -0.602 1.057 -7.846 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.816 1.929 -9.526 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.809 0.333 -10.250 1.00 0.00 H new ATOM 309 N TYR A 23 -4.056 1.672 -8.249 1.00 0.00 N ATOM 310 CA TYR A 23 -5.463 1.663 -7.884 1.00 0.00 C ATOM 311 C TYR A 23 -6.004 3.088 -7.755 1.00 0.00 C ATOM 312 O TYR A 23 -5.276 4.001 -7.368 1.00 0.00 O ATOM 313 CB TYR A 23 -5.540 0.976 -6.519 1.00 0.00 C ATOM 314 CG TYR A 23 -6.753 0.059 -6.352 1.00 0.00 C ATOM 315 CD1 TYR A 23 -7.156 -0.750 -7.395 1.00 0.00 C ATOM 316 CD2 TYR A 23 -7.444 0.040 -5.157 1.00 0.00 C ATOM 317 CE1 TYR A 23 -8.298 -1.613 -7.238 1.00 0.00 C ATOM 318 CE2 TYR A 23 -8.586 -0.824 -5.000 1.00 0.00 C ATOM 319 CZ TYR A 23 -8.956 -1.607 -6.048 1.00 0.00 C ATOM 320 OH TYR A 23 -10.034 -2.423 -5.899 1.00 0.00 O ATOM 0 H TYR A 23 -3.515 2.436 -7.844 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.054 1.151 -8.644 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.632 0.392 -6.366 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.564 1.739 -5.741 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.615 -0.736 -8.329 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.129 0.672 -4.340 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.624 -2.250 -8.047 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.136 -0.849 -4.071 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.921 -3.220 -6.458 1.00 0.00 H new ATOM 330 N PRO A 24 -7.312 3.239 -8.097 1.00 0.00 N ATOM 331 CA PRO A 24 -7.960 4.538 -8.023 1.00 0.00 C ATOM 332 C PRO A 24 -8.259 4.920 -6.572 1.00 0.00 C ATOM 333 O PRO A 24 -7.454 5.588 -5.924 1.00 0.00 O ATOM 334 CB PRO A 24 -9.214 4.401 -8.872 1.00 0.00 C ATOM 335 CG PRO A 24 -9.464 2.907 -9.007 1.00 0.00 C ATOM 336 CD PRO A 24 -8.206 2.181 -8.560 1.00 0.00 C ATOM 0 HA PRO A 24 -7.329 5.345 -8.396 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.062 4.898 -8.400 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.077 4.864 -9.849 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.316 2.606 -8.397 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.705 2.652 -10.039 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.422 1.468 -7.764 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.761 1.618 -9.380 1.00 0.00 H new ATOM 344 N HIS A 25 -9.418 4.480 -6.105 1.00 0.00 N ATOM 345 CA HIS A 25 -9.832 4.768 -4.742 1.00 0.00 C ATOM 346 C HIS A 25 -8.788 4.230 -3.763 1.00 0.00 C ATOM 347 O HIS A 25 -8.925 3.119 -3.252 1.00 0.00 O ATOM 348 CB HIS A 25 -11.235 4.219 -4.474 1.00 0.00 C ATOM 349 CG HIS A 25 -11.413 2.771 -4.864 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.649 2.216 -5.142 1.00 0.00 N ATOM 351 CD2 HIS A 25 -10.498 1.771 -5.019 1.00 0.00 C ATOM 352 CE1 HIS A 25 -12.475 0.939 -5.449 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.141 0.665 -5.372 1.00 0.00 N ATOM 0 H HIS A 25 -10.083 3.927 -6.645 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.892 5.847 -4.597 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.461 4.329 -3.413 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.961 4.823 -5.019 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.431 1.864 -4.878 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.253 0.238 -5.714 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.709 -0.241 -5.555 1.00 0.00 H new ATOM 362 N VAL A 26 -7.767 5.042 -3.530 1.00 0.00 N ATOM 363 CA VAL A 26 -6.699 4.661 -2.621 1.00 0.00 C ATOM 364 C VAL A 26 -6.729 5.576 -1.395 1.00 0.00 C ATOM 365 O VAL A 26 -6.580 6.791 -1.519 1.00 0.00 O ATOM 366 CB VAL A 26 -5.356 4.685 -3.353 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.327 3.651 -4.480 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.046 6.085 -3.886 1.00 0.00 C ATOM 0 H VAL A 26 -7.657 5.963 -3.955 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.843 3.640 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.579 4.421 -2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.361 3.689 -4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.480 2.655 -4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.119 3.871 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.086 6.074 -4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.828 6.391 -4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.003 6.789 -3.055 1.00 0.00 H new ATOM 378 N THR A 27 -6.921 4.958 -0.240 1.00 0.00 N ATOM 379 CA THR A 27 -6.972 5.701 1.008 1.00 0.00 C ATOM 380 C THR A 27 -6.197 4.963 2.101 1.00 0.00 C ATOM 381 O THR A 27 -5.767 3.827 1.903 1.00 0.00 O ATOM 382 CB THR A 27 -8.442 5.936 1.359 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.819 4.765 2.078 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.348 5.924 0.125 1.00 0.00 C ATOM 0 H THR A 27 -7.043 3.950 -0.141 1.00 0.00 H new ATOM 0 HA THR A 27 -6.487 6.672 0.909 1.00 0.00 H new ATOM 0 HB THR A 27 -8.544 6.891 1.875 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.620 4.952 2.610 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.380 6.095 0.430 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.037 6.711 -0.562 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.272 4.957 -0.373 1.00 0.00 H new ATOM 392 N PRO A 28 -6.037 5.655 3.260 1.00 0.00 N ATOM 393 CA PRO A 28 -5.322 5.077 4.385 1.00 0.00 C ATOM 394 C PRO A 28 -6.173 4.021 5.092 1.00 0.00 C ATOM 395 O PRO A 28 -6.145 3.915 6.318 1.00 0.00 O ATOM 396 CB PRO A 28 -4.975 6.257 5.278 1.00 0.00 C ATOM 397 CG PRO A 28 -5.905 7.384 4.861 1.00 0.00 C ATOM 398 CD PRO A 28 -6.532 7.002 3.530 1.00 0.00 C ATOM 0 HA PRO A 28 -4.420 4.545 4.082 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.114 6.005 6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.931 6.546 5.155 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.676 7.541 5.615 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.354 8.320 4.769 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.620 7.020 3.585 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.241 7.696 2.742 1.00 0.00 H new ATOM 406 N LYS A 29 -6.910 3.267 4.290 1.00 0.00 N ATOM 407 CA LYS A 29 -7.768 2.223 4.824 1.00 0.00 C ATOM 408 C LYS A 29 -8.390 1.439 3.668 1.00 0.00 C ATOM 409 O LYS A 29 -8.504 0.216 3.733 1.00 0.00 O ATOM 410 CB LYS A 29 -8.797 2.816 5.789 1.00 0.00 C ATOM 411 CG LYS A 29 -9.234 1.783 6.829 1.00 0.00 C ATOM 412 CD LYS A 29 -10.605 1.201 6.482 1.00 0.00 C ATOM 413 CE LYS A 29 -10.800 -0.170 7.132 1.00 0.00 C ATOM 414 NZ LYS A 29 -12.240 -0.494 7.237 1.00 0.00 N ATOM 0 H LYS A 29 -6.931 3.358 3.274 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.185 1.515 5.412 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.371 3.685 6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.666 3.165 5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.498 0.981 6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.271 2.247 7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.388 1.881 6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.703 1.112 5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.291 -0.934 6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.346 -0.177 8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.354 -1.428 7.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.716 0.226 7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.663 -0.508 6.287 1.00 0.00 H new ATOM 428 N GLU A 30 -8.776 2.175 2.635 1.00 0.00 N ATOM 429 CA GLU A 30 -9.384 1.563 1.466 1.00 0.00 C ATOM 430 C GLU A 30 -8.310 0.919 0.586 1.00 0.00 C ATOM 431 O GLU A 30 -8.528 -0.150 0.018 1.00 0.00 O ATOM 432 CB GLU A 30 -10.200 2.586 0.674 1.00 0.00 C ATOM 433 CG GLU A 30 -11.541 1.995 0.233 1.00 0.00 C ATOM 434 CD GLU A 30 -11.751 2.174 -1.272 1.00 0.00 C ATOM 435 OE1 GLU A 30 -10.973 1.556 -2.031 1.00 0.00 O ATOM 436 OE2 GLU A 30 -12.684 2.925 -1.629 1.00 0.00 O ATOM 0 H GLU A 30 -8.679 3.189 2.584 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.068 0.783 1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.372 3.471 1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.635 2.908 -0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.576 0.935 0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.352 2.479 0.777 1.00 0.00 H new ATOM 443 N CYS A 31 -7.175 1.596 0.501 1.00 0.00 N ATOM 444 CA CYS A 31 -6.068 1.103 -0.300 1.00 0.00 C ATOM 445 C CYS A 31 -5.419 -0.066 0.444 1.00 0.00 C ATOM 446 O CYS A 31 -4.824 -0.947 -0.174 1.00 0.00 O ATOM 447 CB CYS A 31 -5.059 2.210 -0.614 1.00 0.00 C ATOM 448 SG CYS A 31 -3.364 1.624 -0.978 1.00 0.00 S ATOM 0 H CYS A 31 -6.998 2.482 0.974 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.440 0.757 -1.264 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.422 2.781 -1.468 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.017 2.895 0.233 1.00 0.00 H new ATOM 453 N ASN A 32 -5.556 -0.035 1.762 1.00 0.00 N ATOM 454 CA ASN A 32 -4.991 -1.082 2.597 1.00 0.00 C ATOM 455 C ASN A 32 -6.072 -2.118 2.910 1.00 0.00 C ATOM 456 O ASN A 32 -5.827 -3.073 3.646 1.00 0.00 O ATOM 457 CB ASN A 32 -4.483 -0.513 3.923 1.00 0.00 C ATOM 458 CG ASN A 32 -5.458 -0.818 5.061 1.00 0.00 C ATOM 459 OD1 ASN A 32 -6.657 -0.619 4.956 1.00 0.00 O ATOM 460 ND2 ASN A 32 -4.880 -1.312 6.152 1.00 0.00 N ATOM 0 H ASN A 32 -6.049 0.698 2.272 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.160 -1.534 2.056 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.506 -0.937 4.154 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.350 0.565 3.833 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.446 -1.549 6.967 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.870 -1.454 6.174 1.00 0.00 H new ATOM 467 N ASN A 33 -7.245 -1.894 2.337 1.00 0.00 N ATOM 468 CA ASN A 33 -8.365 -2.796 2.546 1.00 0.00 C ATOM 469 C ASN A 33 -8.496 -3.728 1.339 1.00 0.00 C ATOM 470 O ASN A 33 -8.701 -4.930 1.498 1.00 0.00 O ATOM 471 CB ASN A 33 -9.677 -2.022 2.690 1.00 0.00 C ATOM 472 CG ASN A 33 -10.882 -2.948 2.510 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.967 -4.018 3.088 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.806 -2.476 1.677 1.00 0.00 N ATOM 0 H ASN A 33 -7.444 -1.101 1.728 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.177 -3.360 3.460 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.719 -1.551 3.672 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.715 -1.222 1.950 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.649 -3.019 1.490 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.671 -1.571 1.226 1.00 0.00 H new ATOM 481 N ARG A 34 -8.371 -3.137 0.160 1.00 0.00 N ATOM 482 CA ARG A 34 -8.473 -3.900 -1.073 1.00 0.00 C ATOM 483 C ARG A 34 -7.460 -5.047 -1.073 1.00 0.00 C ATOM 484 O ARG A 34 -7.730 -6.118 -1.614 1.00 0.00 O ATOM 485 CB ARG A 34 -8.225 -3.010 -2.293 1.00 0.00 C ATOM 486 CG ARG A 34 -9.039 -3.489 -3.496 1.00 0.00 C ATOM 487 CD ARG A 34 -9.123 -5.017 -3.528 1.00 0.00 C ATOM 488 NE ARG A 34 -10.012 -5.452 -4.628 1.00 0.00 N ATOM 489 CZ ARG A 34 -10.288 -6.733 -4.908 1.00 0.00 C ATOM 490 NH1 ARG A 34 -9.746 -7.712 -4.171 1.00 0.00 N ATOM 491 NH2 ARG A 34 -11.106 -7.035 -5.926 1.00 0.00 N ATOM 0 H ARG A 34 -8.200 -2.140 0.032 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.484 -4.304 -1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.491 -1.980 -2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.164 -3.016 -2.542 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.043 -3.067 -3.452 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.581 -3.127 -4.417 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.128 -5.441 -3.664 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.501 -5.389 -2.575 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.441 -4.732 -5.209 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.123 -7.482 -3.397 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.956 -8.687 -4.384 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.518 -6.290 -6.487 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.316 -8.010 -6.139 1.00 0.00 H new ATOM 505 N GLY A 35 -6.315 -4.783 -0.460 1.00 0.00 N ATOM 506 CA GLY A 35 -5.261 -5.780 -0.383 1.00 0.00 C ATOM 507 C GLY A 35 -3.938 -5.221 -0.911 1.00 0.00 C ATOM 508 O GLY A 35 -3.484 -5.605 -1.988 1.00 0.00 O ATOM 0 H GLY A 35 -6.094 -3.893 -0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.137 -6.104 0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.545 -6.660 -0.961 1.00 0.00 H new ATOM 512 N CYS A 36 -3.357 -4.324 -0.128 1.00 0.00 N ATOM 513 CA CYS A 36 -2.096 -3.709 -0.503 1.00 0.00 C ATOM 514 C CYS A 36 -1.696 -2.723 0.597 1.00 0.00 C ATOM 515 O CYS A 36 -2.144 -2.844 1.736 1.00 0.00 O ATOM 516 CB CYS A 36 -2.181 -3.032 -1.872 1.00 0.00 C ATOM 517 SG CYS A 36 -0.939 -3.601 -3.089 1.00 0.00 S ATOM 0 H CYS A 36 -3.737 -4.009 0.765 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.329 -4.477 -0.598 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.176 -3.201 -2.284 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.070 -1.956 -1.737 1.00 0.00 H new ATOM 522 N CYS A 37 -0.857 -1.770 0.218 1.00 0.00 N ATOM 523 CA CYS A 37 -0.392 -0.765 1.158 1.00 0.00 C ATOM 524 C CYS A 37 -0.757 0.615 0.605 1.00 0.00 C ATOM 525 O CYS A 37 -0.806 0.808 -0.609 1.00 0.00 O ATOM 526 CB CYS A 37 1.108 -0.893 1.427 1.00 0.00 C ATOM 527 SG CYS A 37 1.548 -2.029 2.793 1.00 0.00 S ATOM 0 H CYS A 37 -0.487 -1.673 -0.728 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.881 -0.911 2.121 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.598 -1.236 0.516 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.508 0.096 1.652 1.00 0.00 H new ATOM 532 N PHE A 38 -1.002 1.539 1.522 1.00 0.00 N ATOM 533 CA PHE A 38 -1.360 2.894 1.141 1.00 0.00 C ATOM 534 C PHE A 38 -0.307 3.895 1.621 1.00 0.00 C ATOM 535 O PHE A 38 0.622 3.527 2.338 1.00 0.00 O ATOM 536 CB PHE A 38 -2.695 3.212 1.819 1.00 0.00 C ATOM 537 CG PHE A 38 -3.133 4.671 1.678 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.758 5.085 0.543 1.00 0.00 C ATOM 539 CD2 PHE A 38 -2.899 5.552 2.686 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.165 6.440 0.411 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.306 6.906 2.554 1.00 0.00 C ATOM 542 CZ PHE A 38 -3.930 7.321 1.420 1.00 0.00 C ATOM 0 H PHE A 38 -0.960 1.376 2.528 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.427 2.970 0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.467 2.569 1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.620 2.967 2.878 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.945 4.384 -0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.404 5.222 3.587 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.661 6.770 -0.490 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.120 7.606 3.355 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.239 8.351 1.320 1.00 0.00 H new ATOM 552 N ASP A 39 -0.488 5.140 1.206 1.00 0.00 N ATOM 553 CA ASP A 39 0.435 6.197 1.585 1.00 0.00 C ATOM 554 C ASP A 39 -0.023 7.516 0.961 1.00 0.00 C ATOM 555 O ASP A 39 -0.531 7.534 -0.159 1.00 0.00 O ATOM 556 CB ASP A 39 1.849 5.900 1.080 1.00 0.00 C ATOM 557 CG ASP A 39 2.868 7.016 1.320 1.00 0.00 C ATOM 558 OD1 ASP A 39 2.953 7.904 0.444 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.539 6.955 2.373 1.00 0.00 O ATOM 0 H ASP A 39 -1.260 5.441 0.611 1.00 0.00 H new ATOM 0 HA ASP A 39 0.447 6.261 2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.208 4.991 1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.801 5.696 0.010 1.00 0.00 H new ATOM 564 N SER A 40 0.174 8.589 1.712 1.00 0.00 N ATOM 565 CA SER A 40 -0.213 9.910 1.247 1.00 0.00 C ATOM 566 C SER A 40 0.893 10.920 1.560 1.00 0.00 C ATOM 567 O SER A 40 0.672 12.128 1.496 1.00 0.00 O ATOM 568 CB SER A 40 -1.532 10.354 1.882 1.00 0.00 C ATOM 569 OG SER A 40 -1.422 10.501 3.295 1.00 0.00 O ATOM 0 H SER A 40 0.597 8.571 2.640 1.00 0.00 H new ATOM 0 HA SER A 40 -0.359 9.863 0.168 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.845 11.301 1.442 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.308 9.624 1.653 1.00 0.00 H new ATOM 0 HG SER A 40 -2.284 10.787 3.662 1.00 0.00 H new ATOM 575 N ARG A 41 2.060 10.387 1.892 1.00 0.00 N ATOM 576 CA ARG A 41 3.201 11.227 2.215 1.00 0.00 C ATOM 577 C ARG A 41 3.542 12.138 1.034 1.00 0.00 C ATOM 578 O ARG A 41 3.807 13.325 1.217 1.00 0.00 O ATOM 579 CB ARG A 41 4.426 10.380 2.567 1.00 0.00 C ATOM 580 CG ARG A 41 5.261 11.051 3.660 1.00 0.00 C ATOM 581 CD ARG A 41 6.693 10.513 3.664 1.00 0.00 C ATOM 582 NE ARG A 41 7.570 11.402 2.870 1.00 0.00 N ATOM 583 CZ ARG A 41 8.903 11.283 2.809 1.00 0.00 C ATOM 584 NH1 ARG A 41 9.521 10.312 3.495 1.00 0.00 N ATOM 585 NH2 ARG A 41 9.619 12.135 2.063 1.00 0.00 N ATOM 0 H ARG A 41 2.240 9.384 1.944 1.00 0.00 H new ATOM 0 HA ARG A 41 2.931 11.834 3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.106 9.394 2.903 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.038 10.231 1.677 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.274 12.129 3.502 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.801 10.877 4.633 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.062 10.445 4.687 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.713 9.505 3.250 1.00 0.00 H new ATOM 0 HE ARG A 41 7.132 12.152 2.336 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.977 9.663 4.064 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.536 10.221 3.449 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.149 12.875 1.541 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.634 12.044 2.017 1.00 0.00 H new ATOM 599 N ILE A 42 3.523 11.547 -0.152 1.00 0.00 N ATOM 600 CA ILE A 42 3.826 12.291 -1.363 1.00 0.00 C ATOM 601 C ILE A 42 3.047 11.690 -2.534 1.00 0.00 C ATOM 602 O ILE A 42 3.016 10.472 -2.704 1.00 0.00 O ATOM 603 CB ILE A 42 5.338 12.346 -1.593 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.040 11.172 -0.908 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.911 13.694 -1.152 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.545 9.836 -1.466 1.00 0.00 C ATOM 0 H ILE A 42 3.303 10.562 -0.300 1.00 0.00 H new ATOM 0 HA ILE A 42 3.504 13.328 -1.264 1.00 0.00 H new ATOM 0 HB ILE A 42 5.524 12.252 -2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.117 11.254 -1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.858 11.211 0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.987 13.707 -1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.441 14.494 -1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.714 13.844 -0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.060 9.018 -0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.472 9.747 -1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.750 9.790 -2.535 1.00 0.00 H new ATOM 618 N PRO A 43 2.421 12.595 -3.333 1.00 0.00 N ATOM 619 CA PRO A 43 1.644 12.166 -4.484 1.00 0.00 C ATOM 620 C PRO A 43 2.557 11.733 -5.632 1.00 0.00 C ATOM 621 O PRO A 43 2.217 10.830 -6.394 1.00 0.00 O ATOM 622 CB PRO A 43 0.772 13.360 -4.836 1.00 0.00 C ATOM 623 CG PRO A 43 1.421 14.562 -4.169 1.00 0.00 C ATOM 624 CD PRO A 43 2.436 14.045 -3.163 1.00 0.00 C ATOM 0 HA PRO A 43 1.031 11.289 -4.275 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.714 13.497 -5.916 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.248 13.218 -4.478 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.908 15.194 -4.912 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.669 15.175 -3.672 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.427 14.456 -3.354 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.164 14.327 -2.146 1.00 0.00 H new ATOM 632 N GLY A 44 3.700 12.398 -5.720 1.00 0.00 N ATOM 633 CA GLY A 44 4.665 12.094 -6.762 1.00 0.00 C ATOM 634 C GLY A 44 4.848 10.582 -6.916 1.00 0.00 C ATOM 635 O GLY A 44 5.119 10.094 -8.012 1.00 0.00 O ATOM 0 H GLY A 44 3.979 13.147 -5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.331 12.522 -7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.622 12.557 -6.523 1.00 0.00 H new ATOM 639 N VAL A 45 4.692 9.883 -5.801 1.00 0.00 N ATOM 640 CA VAL A 45 4.836 8.438 -5.798 1.00 0.00 C ATOM 641 C VAL A 45 3.449 7.791 -5.788 1.00 0.00 C ATOM 642 O VAL A 45 2.442 8.476 -5.615 1.00 0.00 O ATOM 643 CB VAL A 45 5.707 8.001 -4.618 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.723 9.086 -4.256 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.847 7.630 -3.409 1.00 0.00 C ATOM 0 H VAL A 45 4.467 10.291 -4.894 1.00 0.00 H new ATOM 0 HA VAL A 45 5.345 8.104 -6.702 1.00 0.00 H new ATOM 0 HB VAL A 45 6.260 7.112 -4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.329 8.751 -3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.368 9.281 -5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.197 10.000 -3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.491 7.323 -2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.255 8.493 -3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.181 6.809 -3.674 1.00 0.00 H new ATOM 655 N PRO A 46 3.441 6.445 -5.982 1.00 0.00 N ATOM 656 CA PRO A 46 2.195 5.698 -5.998 1.00 0.00 C ATOM 657 C PRO A 46 1.638 5.533 -4.582 1.00 0.00 C ATOM 658 O PRO A 46 1.917 4.539 -3.913 1.00 0.00 O ATOM 659 CB PRO A 46 2.538 4.374 -6.660 1.00 0.00 C ATOM 660 CG PRO A 46 4.050 4.242 -6.569 1.00 0.00 C ATOM 661 CD PRO A 46 4.614 5.601 -6.191 1.00 0.00 C ATOM 0 HA PRO A 46 1.405 6.209 -6.548 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.042 3.545 -6.155 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.206 4.359 -7.698 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.324 3.494 -5.824 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.462 3.909 -7.522 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.223 5.540 -5.289 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.252 5.998 -6.980 1.00 0.00 H new ATOM 669 N TRP A 47 0.859 6.521 -4.168 1.00 0.00 N ATOM 670 CA TRP A 47 0.259 6.497 -2.845 1.00 0.00 C ATOM 671 C TRP A 47 0.048 5.035 -2.447 1.00 0.00 C ATOM 672 O TRP A 47 0.536 4.594 -1.408 1.00 0.00 O ATOM 673 CB TRP A 47 -1.031 7.318 -2.812 1.00 0.00 C ATOM 674 CG TRP A 47 -0.822 8.794 -2.467 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.254 9.555 -2.714 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.761 9.662 -1.798 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.077 10.844 -2.255 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.187 10.912 -1.680 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.053 9.401 -1.309 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.831 11.998 -1.076 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.684 10.496 -0.708 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.119 11.760 -0.581 1.00 0.00 C ATOM 0 H TRP A 47 0.629 7.344 -4.726 1.00 0.00 H new ATOM 0 HA TRP A 47 0.919 6.964 -2.114 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.518 7.249 -3.784 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.711 6.878 -2.082 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.147 9.203 -3.210 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.750 11.607 -2.325 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.522 8.431 -1.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.360 12.967 -0.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.679 10.349 -0.315 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.671 12.555 -0.102 1.00 0.00 H new ATOM 693 N CYS A 48 -0.679 4.324 -3.296 1.00 0.00 N ATOM 694 CA CYS A 48 -0.961 2.920 -3.047 1.00 0.00 C ATOM 695 C CYS A 48 0.117 2.084 -3.739 1.00 0.00 C ATOM 696 O CYS A 48 0.208 2.074 -4.966 1.00 0.00 O ATOM 697 CB CYS A 48 -2.368 2.535 -3.510 1.00 0.00 C ATOM 698 SG CYS A 48 -3.038 1.015 -2.743 1.00 0.00 S ATOM 0 H CYS A 48 -1.081 4.694 -4.157 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.937 2.726 -1.975 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.045 3.362 -3.296 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.356 2.405 -4.592 1.00 0.00 H new ATOM 703 N PHE A 49 0.906 1.401 -2.923 1.00 0.00 N ATOM 704 CA PHE A 49 1.974 0.563 -3.441 1.00 0.00 C ATOM 705 C PHE A 49 2.005 -0.790 -2.727 1.00 0.00 C ATOM 706 O PHE A 49 1.400 -0.951 -1.668 1.00 0.00 O ATOM 707 CB PHE A 49 3.289 1.298 -3.173 1.00 0.00 C ATOM 708 CG PHE A 49 3.410 1.861 -1.756 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.545 1.016 -0.698 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.382 3.205 -1.553 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.657 1.539 0.618 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.494 3.728 -0.238 1.00 0.00 C ATOM 713 CZ PHE A 49 3.630 2.884 0.820 1.00 0.00 C ATOM 0 H PHE A 49 0.827 1.411 -1.906 1.00 0.00 H new ATOM 0 HA PHE A 49 1.820 0.379 -4.504 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.119 0.614 -3.353 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.389 2.115 -3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.567 -0.052 -0.859 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.274 3.875 -2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.764 0.869 1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.471 4.796 -0.078 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.717 3.282 1.820 1.00 0.00 H new ATOM 723 N LYS A 50 2.715 -1.728 -3.336 1.00 0.00 N ATOM 724 CA LYS A 50 2.832 -3.062 -2.772 1.00 0.00 C ATOM 725 C LYS A 50 3.562 -2.981 -1.430 1.00 0.00 C ATOM 726 O LYS A 50 4.229 -1.989 -1.141 1.00 0.00 O ATOM 727 CB LYS A 50 3.492 -4.011 -3.774 1.00 0.00 C ATOM 728 CG LYS A 50 2.592 -4.237 -4.991 1.00 0.00 C ATOM 729 CD LYS A 50 2.803 -5.633 -5.578 1.00 0.00 C ATOM 730 CE LYS A 50 2.988 -5.568 -7.095 1.00 0.00 C ATOM 731 NZ LYS A 50 2.024 -6.462 -7.774 1.00 0.00 N ATOM 0 H LYS A 50 3.215 -1.591 -4.214 1.00 0.00 H new ATOM 0 HA LYS A 50 1.845 -3.480 -2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.448 -3.598 -4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.703 -4.965 -3.291 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.548 -4.114 -4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.805 -3.484 -5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.678 -6.095 -5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.948 -6.265 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.849 -4.544 -7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.006 -5.857 -7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.164 -6.406 -8.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.176 -7.441 -7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.054 -6.169 -7.540 1.00 0.00 H new ATOM 745 N PRO A 51 3.407 -4.066 -0.624 1.00 0.00 N ATOM 746 CA PRO A 51 4.043 -4.127 0.680 1.00 0.00 C ATOM 747 C PRO A 51 5.543 -4.397 0.547 1.00 0.00 C ATOM 748 O PRO A 51 5.948 -5.373 -0.084 1.00 0.00 O ATOM 749 CB PRO A 51 3.305 -5.226 1.427 1.00 0.00 C ATOM 750 CG PRO A 51 2.600 -6.052 0.363 1.00 0.00 C ATOM 751 CD PRO A 51 2.624 -5.259 -0.934 1.00 0.00 C ATOM 0 HA PRO A 51 3.980 -3.184 1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.998 -5.840 2.003 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.589 -4.805 2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.099 -7.012 0.233 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.573 -6.264 0.662 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.079 -5.833 -1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.616 -4.998 -1.258 1.00 0.00 H new ATOM 759 N LEU A 52 6.327 -3.516 1.151 1.00 0.00 N ATOM 760 CA LEU A 52 7.773 -3.648 1.108 1.00 0.00 C ATOM 761 C LEU A 52 8.148 -5.130 1.155 1.00 0.00 C ATOM 762 O LEU A 52 7.605 -5.886 1.960 1.00 0.00 O ATOM 763 CB LEU A 52 8.420 -2.814 2.215 1.00 0.00 C ATOM 764 CG LEU A 52 9.875 -3.153 2.547 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.518 -2.047 3.385 1.00 0.00 C ATOM 766 CD2 LEU A 52 9.977 -4.520 3.227 1.00 0.00 C ATOM 0 H LEU A 52 5.988 -2.708 1.673 1.00 0.00 H new ATOM 0 HA LEU A 52 8.164 -3.250 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.369 -1.764 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.826 -2.926 3.122 1.00 0.00 H new ATOM 0 HG LEU A 52 10.433 -3.215 1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.551 -2.313 3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.496 -1.110 2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.966 -1.929 4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.021 -4.737 3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.400 -4.510 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.582 -5.288 2.562 1.00 0.00 H new ATOM 778 N GLN A 53 9.073 -5.503 0.283 1.00 0.00 N ATOM 779 CA GLN A 53 9.526 -6.881 0.215 1.00 0.00 C ATOM 780 C GLN A 53 10.243 -7.269 1.510 1.00 0.00 C ATOM 781 O GLN A 53 11.467 -7.380 1.537 1.00 0.00 O ATOM 782 CB GLN A 53 10.430 -7.102 -0.999 1.00 0.00 C ATOM 783 CG GLN A 53 9.631 -7.642 -2.187 1.00 0.00 C ATOM 784 CD GLN A 53 9.459 -6.570 -3.265 1.00 0.00 C ATOM 785 OE1 GLN A 53 9.868 -6.727 -4.404 1.00 0.00 O ATOM 786 NE2 GLN A 53 8.834 -5.475 -2.844 1.00 0.00 N ATOM 0 H GLN A 53 9.521 -4.874 -0.383 1.00 0.00 H new ATOM 0 HA GLN A 53 8.654 -7.524 0.099 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.910 -6.163 -1.275 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.225 -7.802 -0.742 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.140 -8.508 -2.609 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.653 -7.982 -1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.517 -5.409 -1.877 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.671 -4.701 -3.488 1.00 0.00 H new ATOM 795 N GLU A 54 9.449 -7.463 2.553 1.00 0.00 N ATOM 796 CA GLU A 54 9.992 -7.835 3.848 1.00 0.00 C ATOM 797 C GLU A 54 11.057 -8.921 3.685 1.00 0.00 C ATOM 798 O GLU A 54 10.772 -10.003 3.173 1.00 0.00 O ATOM 799 CB GLU A 54 8.883 -8.293 4.797 1.00 0.00 C ATOM 800 CG GLU A 54 8.557 -9.773 4.586 1.00 0.00 C ATOM 801 CD GLU A 54 9.534 -10.665 5.355 1.00 0.00 C ATOM 802 OE1 GLU A 54 9.812 -10.324 6.526 1.00 0.00 O ATOM 803 OE2 GLU A 54 9.981 -11.666 4.756 1.00 0.00 O ATOM 0 H GLU A 54 8.434 -7.369 2.527 1.00 0.00 H new ATOM 0 HA GLU A 54 10.462 -6.956 4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.192 -8.129 5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.988 -7.693 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.538 -9.975 4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.601 -10.011 3.523 1.00 0.00 H new ATOM 810 N ALA A 55 12.262 -8.595 4.129 1.00 0.00 N ATOM 811 CA ALA A 55 13.371 -9.530 4.038 1.00 0.00 C ATOM 812 C ALA A 55 14.315 -9.311 5.222 1.00 0.00 C ATOM 813 O ALA A 55 14.267 -8.269 5.875 1.00 0.00 O ATOM 814 CB ALA A 55 14.076 -9.356 2.691 1.00 0.00 C ATOM 0 H ALA A 55 12.495 -7.697 4.553 1.00 0.00 H new ATOM 0 HA ALA A 55 13.012 -10.558 4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.908 -10.057 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.370 -9.550 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.453 -8.337 2.607 1.00 0.00 H new ATOM 820 N GLU A 56 15.151 -10.310 5.464 1.00 0.00 N ATOM 821 CA GLU A 56 16.104 -10.240 6.559 1.00 0.00 C ATOM 822 C GLU A 56 17.458 -10.802 6.120 1.00 0.00 C ATOM 823 O GLU A 56 17.521 -11.677 5.257 1.00 0.00 O ATOM 824 CB GLU A 56 15.578 -10.977 7.792 1.00 0.00 C ATOM 825 CG GLU A 56 15.272 -12.441 7.467 1.00 0.00 C ATOM 826 CD GLU A 56 15.992 -13.379 8.438 1.00 0.00 C ATOM 827 OE1 GLU A 56 15.696 -13.281 9.648 1.00 0.00 O ATOM 828 OE2 GLU A 56 16.823 -14.174 7.947 1.00 0.00 O ATOM 0 H GLU A 56 15.188 -11.172 4.921 1.00 0.00 H new ATOM 0 HA GLU A 56 16.238 -9.193 6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.315 -10.925 8.593 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.676 -10.485 8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.197 -12.612 7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.580 -12.663 6.445 1.00 0.00 H new ATOM 835 N CYS A 57 18.508 -10.276 6.734 1.00 0.00 N ATOM 836 CA CYS A 57 19.856 -10.715 6.418 1.00 0.00 C ATOM 837 C CYS A 57 20.261 -10.095 5.079 1.00 0.00 C ATOM 838 O CYS A 57 21.152 -9.248 5.027 1.00 0.00 O ATOM 839 CB CYS A 57 19.965 -12.241 6.397 1.00 0.00 C ATOM 840 SG CYS A 57 21.623 -12.898 6.808 1.00 0.00 S ATOM 0 H CYS A 57 18.452 -9.550 7.448 1.00 0.00 H new ATOM 0 HA CYS A 57 20.542 -10.379 7.196 1.00 0.00 H new ATOM 0 HB2 CYS A 57 19.242 -12.653 7.101 1.00 0.00 H new ATOM 0 HB3 CYS A 57 19.684 -12.598 5.406 1.00 0.00 H new ATOM 0 HG CYS A 57 21.599 -14.197 6.762 1.00 0.00 H new ATOM 845 N THR A 58 19.587 -10.541 4.029 1.00 0.00 N ATOM 846 CA THR A 58 19.866 -10.041 2.694 1.00 0.00 C ATOM 847 C THR A 58 20.131 -8.535 2.733 1.00 0.00 C ATOM 848 O THR A 58 20.922 -8.019 1.944 1.00 0.00 O ATOM 849 CB THR A 58 18.693 -10.428 1.790 1.00 0.00 C ATOM 850 OG1 THR A 58 17.570 -9.779 2.381 1.00 0.00 O ATOM 851 CG2 THR A 58 18.353 -11.917 1.878 1.00 0.00 C ATOM 0 H THR A 58 18.849 -11.243 4.076 1.00 0.00 H new ATOM 0 HA THR A 58 20.772 -10.488 2.285 1.00 0.00 H new ATOM 0 HB THR A 58 18.930 -10.170 0.758 1.00 0.00 H new ATOM 0 HG1 THR A 58 16.852 -9.699 1.718 1.00 0.00 H new ATOM 0 HG21 THR A 58 17.514 -12.138 1.218 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.219 -12.506 1.575 1.00 0.00 H new ATOM 0 HG23 THR A 58 18.083 -12.169 2.904 1.00 0.00 H new ATOM 859 N PHE A 59 19.455 -7.871 3.659 1.00 0.00 N ATOM 860 CA PHE A 59 19.608 -6.434 3.811 1.00 0.00 C ATOM 861 C PHE A 59 20.495 -6.101 5.012 1.00 0.00 C ATOM 862 O PHE A 59 21.532 -6.732 5.216 1.00 0.00 O ATOM 863 CB PHE A 59 18.210 -5.858 4.050 1.00 0.00 C ATOM 864 CG PHE A 59 17.502 -5.394 2.775 1.00 0.00 C ATOM 865 CD1 PHE A 59 17.485 -6.196 1.676 1.00 0.00 C ATOM 866 CD2 PHE A 59 16.891 -4.180 2.741 1.00 0.00 C ATOM 867 CE1 PHE A 59 16.828 -5.765 0.494 1.00 0.00 C ATOM 868 CE2 PHE A 59 16.234 -3.749 1.558 1.00 0.00 C ATOM 869 CZ PHE A 59 16.216 -4.551 0.459 1.00 0.00 C ATOM 0 H PHE A 59 18.800 -8.302 4.312 1.00 0.00 H new ATOM 0 HA PHE A 59 20.075 -6.014 2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.596 -6.613 4.540 1.00 0.00 H new ATOM 0 HB3 PHE A 59 18.288 -5.016 4.737 1.00 0.00 H new ATOM 0 HD1 PHE A 59 17.971 -7.160 1.703 1.00 0.00 H new ATOM 0 HD2 PHE A 59 16.905 -3.544 3.613 1.00 0.00 H new ATOM 0 HE1 PHE A 59 16.814 -6.402 -0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 59 15.749 -2.785 1.531 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.716 -4.224 -0.441 1.00 0.00 H new TER 879 PHE A 59