USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=9 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 Single : A 1 GLU N :NH3+ -119:sc= 0.127 (180deg=-0.193) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 50:sc= -0.572! USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -2.14 X(o=-2.1,f=-2!) USER MOD Single : A 16 LYS NZ :NH3+ 145:sc= 0.639 (180deg=-0.835!) USER MOD Single : A 23 TYR OH : rot -156:sc= -1.25 USER MOD Single : A 25 HIS : no HD1:sc= -4.02! C(o=-4!,f=-2!) USER MOD Single : A 27 THR OG1 : rot 130:sc= -1.09 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -4.05! C(o=-4!,f=-6.3!) USER MOD Single : A 33 ASN : amide:sc= -0.9 K(o=-0.9,f=-2.1!) 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= -0.823 K(o=-0.82,f=0) USER MOD Single : A 57 CYS SG : rot 180:sc=-0.00803 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 10.762 -12.266 17.995 1.00 0.00 N ATOM 2 CA GLU A 1 10.317 -12.441 16.623 1.00 0.00 C ATOM 3 C GLU A 1 9.542 -11.208 16.155 1.00 0.00 C ATOM 4 O GLU A 1 9.319 -10.279 16.930 1.00 0.00 O ATOM 5 CB GLU A 1 9.471 -13.708 16.478 1.00 0.00 C ATOM 6 CG GLU A 1 10.347 -14.961 16.521 1.00 0.00 C ATOM 7 CD GLU A 1 9.520 -16.197 16.881 1.00 0.00 C ATOM 8 OE1 GLU A 1 8.558 -16.473 16.132 1.00 0.00 O ATOM 9 OE2 GLU A 1 9.868 -16.838 17.896 1.00 0.00 O ATOM 0 H1 GLU A 1 11.801 -12.302 18.030 1.00 0.00 H new ATOM 0 H2 GLU A 1 10.435 -11.345 18.351 1.00 0.00 H new ATOM 0 H3 GLU A 1 10.369 -13.025 18.587 1.00 0.00 H new ATOM 0 HA GLU A 1 11.196 -12.556 15.989 1.00 0.00 H new ATOM 0 HB2 GLU A 1 8.732 -13.749 17.278 1.00 0.00 H new ATOM 0 HB3 GLU A 1 8.921 -13.677 15.537 1.00 0.00 H new ATOM 0 HG2 GLU A 1 10.825 -15.108 15.552 1.00 0.00 H new ATOM 0 HG3 GLU A 1 11.144 -14.827 17.252 1.00 0.00 H new ATOM 16 N GLU A 2 9.154 -11.238 14.888 1.00 0.00 N ATOM 17 CA GLU A 2 8.409 -10.134 14.308 1.00 0.00 C ATOM 18 C GLU A 2 6.906 -10.415 14.373 1.00 0.00 C ATOM 19 O GLU A 2 6.487 -11.452 14.883 1.00 0.00 O ATOM 20 CB GLU A 2 8.855 -9.868 12.869 1.00 0.00 C ATOM 21 CG GLU A 2 9.998 -8.852 12.828 1.00 0.00 C ATOM 22 CD GLU A 2 10.912 -9.103 11.626 1.00 0.00 C ATOM 23 OE1 GLU A 2 11.282 -10.281 11.431 1.00 0.00 O ATOM 24 OE2 GLU A 2 11.219 -8.111 10.930 1.00 0.00 O ATOM 0 H GLU A 2 9.342 -12.009 14.248 1.00 0.00 H new ATOM 0 HA GLU A 2 8.616 -9.236 14.890 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.176 -10.801 12.406 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.012 -9.496 12.286 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.590 -7.843 12.775 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.577 -8.914 13.749 1.00 0.00 H new ATOM 31 N TYR A 3 6.137 -9.471 13.849 1.00 0.00 N ATOM 32 CA TYR A 3 4.690 -9.604 13.842 1.00 0.00 C ATOM 33 C TYR A 3 4.174 -9.903 12.433 1.00 0.00 C ATOM 34 O TYR A 3 3.352 -10.799 12.245 1.00 0.00 O ATOM 35 CB TYR A 3 4.140 -8.252 14.298 1.00 0.00 C ATOM 36 CG TYR A 3 2.679 -8.295 14.752 1.00 0.00 C ATOM 37 CD1 TYR A 3 1.664 -8.175 13.824 1.00 0.00 C ATOM 38 CD2 TYR A 3 2.377 -8.454 16.089 1.00 0.00 C ATOM 39 CE1 TYR A 3 0.290 -8.216 14.252 1.00 0.00 C ATOM 40 CE2 TYR A 3 1.003 -8.494 16.516 1.00 0.00 C ATOM 41 CZ TYR A 3 0.027 -8.373 15.577 1.00 0.00 C ATOM 42 OH TYR A 3 -1.271 -8.412 15.981 1.00 0.00 O ATOM 0 H TYR A 3 6.489 -8.612 13.427 1.00 0.00 H new ATOM 0 HA TYR A 3 4.377 -10.422 14.490 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.754 -7.880 15.118 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.235 -7.538 13.480 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.901 -8.050 12.778 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.171 -8.548 16.815 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.514 -8.124 13.537 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.753 -8.617 17.559 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.308 -8.530 16.953 1.00 0.00 H new ATOM 52 N VAL A 4 4.678 -9.135 11.478 1.00 0.00 N ATOM 53 CA VAL A 4 4.278 -9.306 10.091 1.00 0.00 C ATOM 54 C VAL A 4 2.862 -8.760 9.902 1.00 0.00 C ATOM 55 O VAL A 4 1.956 -9.495 9.514 1.00 0.00 O ATOM 56 CB VAL A 4 4.412 -10.775 9.685 1.00 0.00 C ATOM 57 CG1 VAL A 4 4.287 -10.938 8.169 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.728 -11.367 10.194 1.00 0.00 C ATOM 0 H VAL A 4 5.360 -8.393 11.637 1.00 0.00 H new ATOM 0 HA VAL A 4 4.935 -8.739 9.431 1.00 0.00 H new ATOM 0 HB VAL A 4 3.595 -11.327 10.150 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.386 -11.991 7.907 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.313 -10.573 7.843 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.073 -10.366 7.676 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.798 -12.412 9.892 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.565 -10.810 9.772 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.760 -11.301 11.282 1.00 0.00 H new ATOM 68 N GLY A 5 2.715 -7.474 10.186 1.00 0.00 N ATOM 69 CA GLY A 5 1.424 -6.821 10.052 1.00 0.00 C ATOM 70 C GLY A 5 1.350 -5.568 10.928 1.00 0.00 C ATOM 71 O GLY A 5 0.560 -4.664 10.659 1.00 0.00 O ATOM 0 H GLY A 5 3.469 -6.867 10.508 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.256 -6.551 9.010 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.631 -7.514 10.334 1.00 0.00 H new ATOM 75 N LEU A 6 2.183 -5.555 11.958 1.00 0.00 N ATOM 76 CA LEU A 6 2.222 -4.428 12.874 1.00 0.00 C ATOM 77 C LEU A 6 2.942 -3.256 12.204 1.00 0.00 C ATOM 78 O LEU A 6 3.843 -3.459 11.392 1.00 0.00 O ATOM 79 CB LEU A 6 2.838 -4.845 14.211 1.00 0.00 C ATOM 80 CG LEU A 6 4.274 -4.379 14.462 1.00 0.00 C ATOM 81 CD1 LEU A 6 4.295 -2.986 15.094 1.00 0.00 C ATOM 82 CD2 LEU A 6 5.043 -5.401 15.302 1.00 0.00 C ATOM 0 H LEU A 6 2.836 -6.307 12.178 1.00 0.00 H new ATOM 0 HA LEU A 6 1.212 -4.091 13.106 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.207 -4.463 15.014 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.813 -5.933 14.276 1.00 0.00 H new ATOM 0 HG LEU A 6 4.782 -4.305 13.501 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.327 -2.678 15.262 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.809 -2.276 14.425 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.764 -3.010 16.046 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.060 -5.046 15.466 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.545 -5.531 16.263 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.072 -6.356 14.777 1.00 0.00 H new ATOM 94 N SER A 7 2.518 -2.055 12.571 1.00 0.00 N ATOM 95 CA SER A 7 3.112 -0.851 12.016 1.00 0.00 C ATOM 96 C SER A 7 3.060 -0.898 10.487 1.00 0.00 C ATOM 97 O SER A 7 2.480 -1.817 9.911 1.00 0.00 O ATOM 98 CB SER A 7 4.555 -0.677 12.492 1.00 0.00 C ATOM 99 OG SER A 7 5.239 -1.924 12.588 1.00 0.00 O ATOM 0 H SER A 7 1.771 -1.890 13.245 1.00 0.00 H new ATOM 0 HA SER A 7 2.537 0.006 12.367 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.088 -0.023 11.802 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.559 -0.185 13.465 1.00 0.00 H new ATOM 0 HG SER A 7 5.123 -2.426 11.754 1.00 0.00 H new ATOM 105 N ALA A 8 3.673 0.104 9.874 1.00 0.00 N ATOM 106 CA ALA A 8 3.704 0.187 8.424 1.00 0.00 C ATOM 107 C ALA A 8 4.963 -0.511 7.904 1.00 0.00 C ATOM 108 O ALA A 8 5.460 -0.181 6.829 1.00 0.00 O ATOM 109 CB ALA A 8 3.632 1.654 7.996 1.00 0.00 C ATOM 0 H ALA A 8 4.152 0.865 10.355 1.00 0.00 H new ATOM 0 HA ALA A 8 2.843 -0.322 7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.655 1.717 6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.707 2.096 8.365 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.483 2.196 8.409 1.00 0.00 H new ATOM 115 N ASN A 9 5.441 -1.463 8.692 1.00 0.00 N ATOM 116 CA ASN A 9 6.631 -2.211 8.324 1.00 0.00 C ATOM 117 C ASN A 9 6.526 -2.642 6.860 1.00 0.00 C ATOM 118 O ASN A 9 7.494 -2.541 6.108 1.00 0.00 O ATOM 119 CB ASN A 9 6.776 -3.471 9.179 1.00 0.00 C ATOM 120 CG ASN A 9 8.249 -3.823 9.392 1.00 0.00 C ATOM 121 OD1 ASN A 9 8.791 -4.733 8.786 1.00 0.00 O ATOM 122 ND2 ASN A 9 8.865 -3.054 10.285 1.00 0.00 N ATOM 0 H ASN A 9 5.026 -1.733 9.584 1.00 0.00 H new ATOM 0 HA ASN A 9 7.496 -1.567 8.482 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.292 -3.318 10.144 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.266 -4.304 8.695 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.850 -3.209 10.498 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.352 -2.309 10.757 1.00 0.00 H new ATOM 129 N GLN A 10 5.341 -3.113 6.499 1.00 0.00 N ATOM 130 CA GLN A 10 5.097 -3.560 5.138 1.00 0.00 C ATOM 131 C GLN A 10 4.942 -2.358 4.204 1.00 0.00 C ATOM 132 O GLN A 10 5.269 -2.440 3.021 1.00 0.00 O ATOM 133 CB GLN A 10 3.867 -4.467 5.072 1.00 0.00 C ATOM 134 CG GLN A 10 3.623 -5.160 6.414 1.00 0.00 C ATOM 135 CD GLN A 10 2.566 -4.416 7.232 1.00 0.00 C ATOM 136 OE1 GLN A 10 1.620 -3.852 6.706 1.00 0.00 O ATOM 137 NE2 GLN A 10 2.779 -4.444 8.544 1.00 0.00 N ATOM 0 H GLN A 10 4.540 -3.195 7.125 1.00 0.00 H new ATOM 0 HA GLN A 10 5.957 -4.143 4.808 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.991 -3.879 4.798 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.004 -5.216 4.292 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.299 -6.187 6.243 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.555 -5.209 6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.591 -4.935 8.918 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.130 -3.975 9.176 1.00 0.00 H new ATOM 146 N CYS A 11 4.444 -1.269 4.771 1.00 0.00 N ATOM 147 CA CYS A 11 4.242 -0.051 4.004 1.00 0.00 C ATOM 148 C CYS A 11 5.243 0.997 4.494 1.00 0.00 C ATOM 149 O CYS A 11 4.888 2.159 4.685 1.00 0.00 O ATOM 150 CB CYS A 11 2.799 0.448 4.105 1.00 0.00 C ATOM 151 SG CYS A 11 1.561 -0.851 4.465 1.00 0.00 S ATOM 0 H CYS A 11 4.174 -1.204 5.753 1.00 0.00 H new ATOM 0 HA CYS A 11 4.415 -0.251 2.947 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.746 1.207 4.885 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.531 0.935 3.167 1.00 0.00 H new ATOM 156 N ALA A 12 6.476 0.548 4.683 1.00 0.00 N ATOM 157 CA ALA A 12 7.531 1.432 5.147 1.00 0.00 C ATOM 158 C ALA A 12 8.583 1.585 4.046 1.00 0.00 C ATOM 159 O ALA A 12 9.768 1.354 4.279 1.00 0.00 O ATOM 160 CB ALA A 12 8.123 0.884 6.447 1.00 0.00 C ATOM 0 H ALA A 12 6.767 -0.416 4.523 1.00 0.00 H new ATOM 0 HA ALA A 12 7.133 2.423 5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.915 1.548 6.795 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.342 0.823 7.205 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.535 -0.109 6.269 1.00 0.00 H new ATOM 166 N VAL A 13 8.111 1.973 2.870 1.00 0.00 N ATOM 167 CA VAL A 13 8.996 2.159 1.733 1.00 0.00 C ATOM 168 C VAL A 13 9.386 3.635 1.632 1.00 0.00 C ATOM 169 O VAL A 13 8.614 4.513 2.017 1.00 0.00 O ATOM 170 CB VAL A 13 8.332 1.628 0.461 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.347 0.904 -0.426 1.00 0.00 C ATOM 172 CG2 VAL A 13 7.150 0.717 0.799 1.00 0.00 C ATOM 0 H VAL A 13 7.127 2.164 2.680 1.00 0.00 H new ATOM 0 HA VAL A 13 9.915 1.588 1.867 1.00 0.00 H new ATOM 0 HB VAL A 13 7.948 2.481 -0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.849 0.536 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.141 1.595 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.775 0.064 0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.696 0.353 -0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.500 -0.129 1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.411 1.277 1.371 1.00 0.00 H new ATOM 182 N PRO A 14 10.615 3.870 1.099 1.00 0.00 N ATOM 183 CA PRO A 14 11.117 5.224 0.943 1.00 0.00 C ATOM 184 C PRO A 14 10.435 5.930 -0.231 1.00 0.00 C ATOM 185 O PRO A 14 10.768 7.069 -0.554 1.00 0.00 O ATOM 186 CB PRO A 14 12.617 5.069 0.753 1.00 0.00 C ATOM 187 CG PRO A 14 12.837 3.621 0.345 1.00 0.00 C ATOM 188 CD PRO A 14 11.556 2.856 0.633 1.00 0.00 C ATOM 0 HA PRO A 14 10.902 5.854 1.806 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.986 5.751 -0.013 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.154 5.302 1.673 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.090 3.557 -0.713 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.671 3.191 0.899 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.186 2.353 -0.260 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.716 2.087 1.389 1.00 0.00 H new ATOM 196 N ALA A 15 9.492 5.223 -0.838 1.00 0.00 N ATOM 197 CA ALA A 15 8.761 5.768 -1.969 1.00 0.00 C ATOM 198 C ALA A 15 9.543 5.495 -3.255 1.00 0.00 C ATOM 199 O ALA A 15 8.974 5.509 -4.346 1.00 0.00 O ATOM 200 CB ALA A 15 8.510 7.260 -1.745 1.00 0.00 C ATOM 0 H ALA A 15 9.218 4.278 -0.568 1.00 0.00 H new ATOM 0 HA ALA A 15 7.788 5.285 -2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.962 7.668 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.926 7.398 -0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.464 7.779 -1.646 1.00 0.00 H new ATOM 206 N LYS A 16 10.834 5.253 -3.085 1.00 0.00 N ATOM 207 CA LYS A 16 11.700 4.978 -4.219 1.00 0.00 C ATOM 208 C LYS A 16 11.748 3.468 -4.463 1.00 0.00 C ATOM 209 O LYS A 16 12.498 2.997 -5.317 1.00 0.00 O ATOM 210 CB LYS A 16 13.077 5.611 -4.008 1.00 0.00 C ATOM 211 CG LYS A 16 13.767 5.024 -2.775 1.00 0.00 C ATOM 212 CD LYS A 16 14.091 3.543 -2.980 1.00 0.00 C ATOM 213 CE LYS A 16 15.344 3.143 -2.200 1.00 0.00 C ATOM 214 NZ LYS A 16 15.202 1.773 -1.658 1.00 0.00 N ATOM 0 H LYS A 16 11.302 5.242 -2.179 1.00 0.00 H new ATOM 0 HA LYS A 16 11.300 5.436 -5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.696 5.445 -4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.971 6.690 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.685 5.576 -2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.123 5.142 -1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.247 2.934 -2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.240 3.343 -4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.217 3.194 -2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.513 3.847 -1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.126 1.296 -1.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.854 1.821 -0.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.526 1.238 -2.240 1.00 0.00 H new ATOM 228 N ASP A 17 10.937 2.751 -3.699 1.00 0.00 N ATOM 229 CA ASP A 17 10.878 1.304 -3.822 1.00 0.00 C ATOM 230 C ASP A 17 9.416 0.865 -3.929 1.00 0.00 C ATOM 231 O ASP A 17 9.088 -0.287 -3.649 1.00 0.00 O ATOM 232 CB ASP A 17 11.488 0.622 -2.596 1.00 0.00 C ATOM 233 CG ASP A 17 12.717 -0.243 -2.881 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.687 -0.948 -3.913 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.658 -0.180 -2.061 1.00 0.00 O ATOM 0 H ASP A 17 10.315 3.145 -2.993 1.00 0.00 H new ATOM 0 HA ASP A 17 11.440 1.018 -4.711 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.762 1.389 -1.872 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.725 -0.000 -2.128 1.00 0.00 H new ATOM 240 N ARG A 18 8.577 1.807 -4.336 1.00 0.00 N ATOM 241 CA ARG A 18 7.158 1.532 -4.484 1.00 0.00 C ATOM 242 C ARG A 18 6.907 0.708 -5.748 1.00 0.00 C ATOM 243 O ARG A 18 7.487 0.982 -6.798 1.00 0.00 O ATOM 244 CB ARG A 18 6.351 2.829 -4.559 1.00 0.00 C ATOM 245 CG ARG A 18 6.839 3.840 -3.519 1.00 0.00 C ATOM 246 CD ARG A 18 6.197 3.577 -2.155 1.00 0.00 C ATOM 247 NE ARG A 18 5.793 4.857 -1.531 1.00 0.00 N ATOM 248 CZ ARG A 18 5.703 5.052 -0.209 1.00 0.00 C ATOM 249 NH1 ARG A 18 5.989 4.053 0.637 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.328 6.247 0.268 1.00 0.00 N ATOM 0 H ARG A 18 8.853 2.761 -4.568 1.00 0.00 H new ATOM 0 HA ARG A 18 6.836 0.968 -3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.438 3.258 -5.557 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.295 2.614 -4.395 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.924 3.782 -3.431 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.599 4.851 -3.849 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.328 2.929 -2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.900 3.053 -1.508 1.00 0.00 H new ATOM 0 HE ARG A 18 5.569 5.639 -2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.275 3.144 0.274 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.920 4.202 1.644 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.111 7.008 -0.376 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.259 6.396 1.275 1.00 0.00 H new ATOM 264 N VAL A 19 6.040 -0.284 -5.607 1.00 0.00 N ATOM 265 CA VAL A 19 5.704 -1.149 -6.725 1.00 0.00 C ATOM 266 C VAL A 19 4.409 -0.657 -7.374 1.00 0.00 C ATOM 267 O VAL A 19 3.975 -1.198 -8.390 1.00 0.00 O ATOM 268 CB VAL A 19 5.623 -2.603 -6.256 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.482 -3.556 -7.444 1.00 0.00 C ATOM 270 CG2 VAL A 19 6.835 -2.971 -5.398 1.00 0.00 C ATOM 0 H VAL A 19 5.560 -0.508 -4.735 1.00 0.00 H new ATOM 0 HA VAL A 19 6.484 -1.110 -7.486 1.00 0.00 H new ATOM 0 HB VAL A 19 4.731 -2.706 -5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.427 -4.583 -7.082 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.574 -3.317 -7.997 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.345 -3.449 -8.101 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.752 -4.010 -5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.747 -2.843 -5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.871 -2.323 -4.522 1.00 0.00 H new ATOM 280 N ASP A 20 3.829 0.364 -6.761 1.00 0.00 N ATOM 281 CA ASP A 20 2.592 0.936 -7.267 1.00 0.00 C ATOM 282 C ASP A 20 1.586 -0.187 -7.528 1.00 0.00 C ATOM 283 O ASP A 20 1.648 -0.853 -8.560 1.00 0.00 O ATOM 284 CB ASP A 20 2.826 1.677 -8.585 1.00 0.00 C ATOM 285 CG ASP A 20 1.560 1.986 -9.386 1.00 0.00 C ATOM 286 OD1 ASP A 20 1.042 1.039 -10.017 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.139 3.162 -9.351 1.00 0.00 O ATOM 0 H ASP A 20 4.192 0.810 -5.919 1.00 0.00 H new ATOM 0 HA ASP A 20 2.215 1.637 -6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.340 2.614 -8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.494 1.081 -9.206 1.00 0.00 H new ATOM 292 N CYS A 21 0.683 -0.362 -6.575 1.00 0.00 N ATOM 293 CA CYS A 21 -0.335 -1.393 -6.689 1.00 0.00 C ATOM 294 C CYS A 21 -1.336 -0.963 -7.764 1.00 0.00 C ATOM 295 O CYS A 21 -2.014 -1.801 -8.356 1.00 0.00 O ATOM 296 CB CYS A 21 -1.020 -1.662 -5.347 1.00 0.00 C ATOM 297 SG CYS A 21 -1.380 -3.425 -5.010 1.00 0.00 S ATOM 0 H CYS A 21 0.635 0.193 -5.720 1.00 0.00 H new ATOM 0 HA CYS A 21 0.129 -2.335 -6.981 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.387 -1.276 -4.548 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.954 -1.102 -5.313 1.00 0.00 H new ATOM 302 N GLY A 22 -1.396 0.343 -7.983 1.00 0.00 N ATOM 303 CA GLY A 22 -2.302 0.894 -8.976 1.00 0.00 C ATOM 304 C GLY A 22 -3.760 0.717 -8.546 1.00 0.00 C ATOM 305 O GLY A 22 -4.366 -0.321 -8.807 1.00 0.00 O ATOM 0 H GLY A 22 -0.832 1.035 -7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.088 1.953 -9.121 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.140 0.402 -9.935 1.00 0.00 H new ATOM 309 N TYR A 23 -4.281 1.746 -7.894 1.00 0.00 N ATOM 310 CA TYR A 23 -5.656 1.717 -7.426 1.00 0.00 C ATOM 311 C TYR A 23 -6.342 3.065 -7.657 1.00 0.00 C ATOM 312 O TYR A 23 -5.694 4.110 -7.618 1.00 0.00 O ATOM 313 CB TYR A 23 -5.583 1.447 -5.921 1.00 0.00 C ATOM 314 CG TYR A 23 -5.630 -0.037 -5.553 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.790 -0.760 -5.748 1.00 0.00 C ATOM 316 CD2 TYR A 23 -4.514 -0.653 -5.026 1.00 0.00 C ATOM 317 CE1 TYR A 23 -6.835 -2.157 -5.401 1.00 0.00 C ATOM 318 CE2 TYR A 23 -4.559 -2.050 -4.679 1.00 0.00 C ATOM 319 CZ TYR A 23 -5.717 -2.733 -4.884 1.00 0.00 C ATOM 320 OH TYR A 23 -5.759 -4.053 -4.557 1.00 0.00 O ATOM 0 H TYR A 23 -3.775 2.605 -7.679 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.228 0.958 -7.960 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.662 1.879 -5.529 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.410 1.959 -5.430 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.664 -0.278 -6.161 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.606 -0.088 -4.874 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.736 -2.734 -5.548 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.692 -2.544 -4.265 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.075 -4.245 -3.882 1.00 0.00 H new ATOM 330 N PRO A 24 -7.678 2.995 -7.899 1.00 0.00 N ATOM 331 CA PRO A 24 -8.460 4.197 -8.136 1.00 0.00 C ATOM 332 C PRO A 24 -8.700 4.962 -6.833 1.00 0.00 C ATOM 333 O PRO A 24 -8.046 5.969 -6.570 1.00 0.00 O ATOM 334 CB PRO A 24 -9.745 3.709 -8.784 1.00 0.00 C ATOM 335 CG PRO A 24 -9.837 2.226 -8.464 1.00 0.00 C ATOM 336 CD PRO A 24 -8.478 1.775 -7.952 1.00 0.00 C ATOM 0 HA PRO A 24 -7.949 4.910 -8.783 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.608 4.247 -8.393 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.727 3.876 -9.861 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.607 2.044 -7.714 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.117 1.660 -9.353 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.559 1.312 -6.969 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.030 1.036 -8.616 1.00 0.00 H new ATOM 344 N HIS A 25 -9.641 4.453 -6.051 1.00 0.00 N ATOM 345 CA HIS A 25 -9.976 5.075 -4.781 1.00 0.00 C ATOM 346 C HIS A 25 -9.043 4.548 -3.689 1.00 0.00 C ATOM 347 O HIS A 25 -9.403 3.636 -2.946 1.00 0.00 O ATOM 348 CB HIS A 25 -11.455 4.867 -4.448 1.00 0.00 C ATOM 349 CG HIS A 25 -11.817 3.437 -4.126 1.00 0.00 C ATOM 350 ND1 HIS A 25 -13.061 3.069 -3.643 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.087 2.289 -4.224 1.00 0.00 C ATOM 352 CE1 HIS A 25 -13.068 1.757 -3.461 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.843 1.275 -3.821 1.00 0.00 N ATOM 0 H HIS A 25 -10.182 3.617 -6.272 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.826 6.153 -4.849 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.718 5.498 -3.599 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -12.058 5.202 -5.292 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.067 2.217 -4.571 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.897 1.172 -3.092 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.556 0.297 -3.786 1.00 0.00 H new ATOM 362 N VAL A 26 -7.861 5.144 -3.627 1.00 0.00 N ATOM 363 CA VAL A 26 -6.874 4.746 -2.638 1.00 0.00 C ATOM 364 C VAL A 26 -7.028 5.618 -1.390 1.00 0.00 C ATOM 365 O VAL A 26 -7.191 6.832 -1.493 1.00 0.00 O ATOM 366 CB VAL A 26 -5.470 4.813 -3.244 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.291 3.751 -4.331 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.175 6.212 -3.790 1.00 0.00 C ATOM 0 H VAL A 26 -7.565 5.899 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.034 3.712 -2.334 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.752 4.605 -2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.285 3.820 -4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.439 2.761 -3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.022 3.914 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.171 6.233 -4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.902 6.461 -4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.242 6.940 -2.981 1.00 0.00 H new ATOM 378 N THR A 27 -6.971 4.963 -0.240 1.00 0.00 N ATOM 379 CA THR A 27 -7.102 5.663 1.027 1.00 0.00 C ATOM 380 C THR A 27 -6.332 4.927 2.125 1.00 0.00 C ATOM 381 O THR A 27 -5.868 3.807 1.919 1.00 0.00 O ATOM 382 CB THR A 27 -8.594 5.816 1.330 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.957 4.574 1.926 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.446 5.883 0.060 1.00 0.00 C ATOM 0 H THR A 27 -6.836 3.955 -0.159 1.00 0.00 H new ATOM 0 HA THR A 27 -6.662 6.659 0.976 1.00 0.00 H new ATOM 0 HB THR A 27 -8.753 6.717 1.922 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.441 4.741 2.761 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.496 5.991 0.332 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.136 6.738 -0.541 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.313 4.967 -0.516 1.00 0.00 H new ATOM 392 N PRO A 28 -6.216 5.605 3.298 1.00 0.00 N ATOM 393 CA PRO A 28 -5.510 5.028 4.429 1.00 0.00 C ATOM 394 C PRO A 28 -6.348 3.938 5.101 1.00 0.00 C ATOM 395 O PRO A 28 -6.367 3.831 6.327 1.00 0.00 O ATOM 396 CB PRO A 28 -5.214 6.201 5.349 1.00 0.00 C ATOM 397 CG PRO A 28 -6.165 7.310 4.929 1.00 0.00 C ATOM 398 CD PRO A 28 -6.753 6.933 3.579 1.00 0.00 C ATOM 0 HA PRO A 28 -4.588 4.526 4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.369 5.928 6.393 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.176 6.520 5.254 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.956 7.435 5.668 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.637 8.261 4.863 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.842 6.921 3.611 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.465 7.648 2.808 1.00 0.00 H new ATOM 406 N LYS A 29 -7.021 3.156 4.270 1.00 0.00 N ATOM 407 CA LYS A 29 -7.859 2.079 4.768 1.00 0.00 C ATOM 408 C LYS A 29 -8.462 1.319 3.585 1.00 0.00 C ATOM 409 O LYS A 29 -8.525 0.091 3.599 1.00 0.00 O ATOM 410 CB LYS A 29 -8.902 2.621 5.747 1.00 0.00 C ATOM 411 CG LYS A 29 -9.294 1.556 6.774 1.00 0.00 C ATOM 412 CD LYS A 29 -10.537 0.787 6.320 1.00 0.00 C ATOM 413 CE LYS A 29 -10.534 -0.637 6.878 1.00 0.00 C ATOM 414 NZ LYS A 29 -11.466 -0.746 8.023 1.00 0.00 N ATOM 0 H LYS A 29 -7.003 3.247 3.254 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.263 1.364 5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.505 3.497 6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.786 2.946 5.199 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.466 0.862 6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.486 2.028 7.738 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.434 1.310 6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.572 0.755 5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.823 -1.341 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.527 -0.908 7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.452 -1.719 8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.173 -0.088 8.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.429 -0.507 7.711 1.00 0.00 H new ATOM 428 N GLU A 30 -8.890 2.081 2.589 1.00 0.00 N ATOM 429 CA GLU A 30 -9.486 1.495 1.401 1.00 0.00 C ATOM 430 C GLU A 30 -8.401 0.892 0.505 1.00 0.00 C ATOM 431 O GLU A 30 -8.589 -0.180 -0.067 1.00 0.00 O ATOM 432 CB GLU A 30 -10.315 2.529 0.637 1.00 0.00 C ATOM 433 CG GLU A 30 -11.028 1.887 -0.555 1.00 0.00 C ATOM 434 CD GLU A 30 -12.516 1.682 -0.259 1.00 0.00 C ATOM 435 OE1 GLU A 30 -13.169 2.689 0.089 1.00 0.00 O ATOM 436 OE2 GLU A 30 -12.966 0.523 -0.388 1.00 0.00 O ATOM 0 H GLU A 30 -8.836 3.100 2.581 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.159 0.696 1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.049 2.978 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.668 3.334 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.912 2.519 -1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.564 0.928 -0.787 1.00 0.00 H new ATOM 443 N CYS A 31 -7.290 1.608 0.412 1.00 0.00 N ATOM 444 CA CYS A 31 -6.175 1.157 -0.404 1.00 0.00 C ATOM 445 C CYS A 31 -5.513 -0.028 0.301 1.00 0.00 C ATOM 446 O CYS A 31 -4.942 -0.902 -0.350 1.00 0.00 O ATOM 447 CB CYS A 31 -5.181 2.287 -0.677 1.00 0.00 C ATOM 448 SG CYS A 31 -3.468 1.738 -1.014 1.00 0.00 S ATOM 0 H CYS A 31 -7.138 2.497 0.888 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.540 0.839 -1.381 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.536 2.866 -1.529 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.170 2.958 0.182 1.00 0.00 H new ATOM 453 N ASN A 32 -5.610 -0.019 1.622 1.00 0.00 N ATOM 454 CA ASN A 32 -5.027 -1.083 2.423 1.00 0.00 C ATOM 455 C ASN A 32 -6.091 -2.145 2.705 1.00 0.00 C ATOM 456 O ASN A 32 -5.829 -3.121 3.406 1.00 0.00 O ATOM 457 CB ASN A 32 -4.523 -0.549 3.765 1.00 0.00 C ATOM 458 CG ASN A 32 -5.478 -0.929 4.899 1.00 0.00 C ATOM 459 OD1 ASN A 32 -6.679 -0.727 4.828 1.00 0.00 O ATOM 460 ND2 ASN A 32 -4.878 -1.488 5.946 1.00 0.00 N ATOM 0 H ASN A 32 -6.083 0.708 2.158 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.190 -1.505 1.866 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.531 -0.950 3.971 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.425 0.535 3.715 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.428 -1.777 6.755 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.868 -1.628 5.940 1.00 0.00 H new ATOM 467 N ASN A 33 -7.271 -1.918 2.146 1.00 0.00 N ATOM 468 CA ASN A 33 -8.376 -2.843 2.329 1.00 0.00 C ATOM 469 C ASN A 33 -8.546 -3.685 1.063 1.00 0.00 C ATOM 470 O ASN A 33 -8.765 -4.893 1.142 1.00 0.00 O ATOM 471 CB ASN A 33 -9.686 -2.093 2.578 1.00 0.00 C ATOM 472 CG ASN A 33 -10.892 -3.014 2.379 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.810 -4.224 2.512 1.00 0.00 O ATOM 474 ND2 ASN A 33 -12.012 -2.376 2.053 1.00 0.00 N ATOM 0 H ASN A 33 -7.485 -1.107 1.566 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.151 -3.471 3.191 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.693 -1.693 3.592 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.757 -1.243 1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.872 -2.902 1.898 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.011 -1.360 1.958 1.00 0.00 H new ATOM 481 N ARG A 34 -8.439 -3.014 -0.074 1.00 0.00 N ATOM 482 CA ARG A 34 -8.578 -3.685 -1.355 1.00 0.00 C ATOM 483 C ARG A 34 -7.571 -4.831 -1.466 1.00 0.00 C ATOM 484 O ARG A 34 -7.817 -5.814 -2.163 1.00 0.00 O ATOM 485 CB ARG A 34 -8.361 -2.711 -2.514 1.00 0.00 C ATOM 486 CG ARG A 34 -9.310 -3.019 -3.675 1.00 0.00 C ATOM 487 CD ARG A 34 -8.962 -4.360 -4.325 1.00 0.00 C ATOM 488 NE ARG A 34 -9.442 -4.383 -5.725 1.00 0.00 N ATOM 489 CZ ARG A 34 -9.558 -5.496 -6.461 1.00 0.00 C ATOM 490 NH1 ARG A 34 -9.231 -6.684 -5.935 1.00 0.00 N ATOM 491 NH2 ARG A 34 -10.003 -5.422 -7.723 1.00 0.00 N ATOM 0 H ARG A 34 -8.258 -2.012 -0.135 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.592 -4.081 -1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.521 -1.689 -2.170 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.328 -2.773 -2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.338 -3.042 -3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.251 -2.224 -4.418 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.884 -4.517 -4.299 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.417 -5.175 -3.762 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.701 -3.496 -6.156 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.894 -6.741 -4.974 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.319 -7.532 -6.495 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.253 -4.518 -8.123 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.091 -6.270 -8.283 1.00 0.00 H new ATOM 505 N GLY A 35 -6.456 -4.667 -0.768 1.00 0.00 N ATOM 506 CA GLY A 35 -5.410 -5.675 -0.780 1.00 0.00 C ATOM 507 C GLY A 35 -4.074 -5.074 -1.221 1.00 0.00 C ATOM 508 O GLY A 35 -3.634 -5.291 -2.349 1.00 0.00 O ATOM 0 H GLY A 35 -6.255 -3.851 -0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.307 -6.109 0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.688 -6.485 -1.454 1.00 0.00 H new ATOM 512 N CYS A 36 -3.466 -4.331 -0.308 1.00 0.00 N ATOM 513 CA CYS A 36 -2.189 -3.697 -0.589 1.00 0.00 C ATOM 514 C CYS A 36 -1.879 -2.718 0.545 1.00 0.00 C ATOM 515 O CYS A 36 -2.427 -2.837 1.639 1.00 0.00 O ATOM 516 CB CYS A 36 -2.188 -3.008 -1.955 1.00 0.00 C ATOM 517 SG CYS A 36 -0.889 -3.587 -3.107 1.00 0.00 S ATOM 0 H CYS A 36 -3.834 -4.154 0.627 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.407 -4.454 -0.637 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.161 -3.158 -2.422 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.068 -1.935 -1.805 1.00 0.00 H new ATOM 522 N CYS A 37 -1.000 -1.773 0.244 1.00 0.00 N ATOM 523 CA CYS A 37 -0.611 -0.774 1.224 1.00 0.00 C ATOM 524 C CYS A 37 -0.948 0.609 0.662 1.00 0.00 C ATOM 525 O CYS A 37 -0.968 0.800 -0.553 1.00 0.00 O ATOM 526 CB CYS A 37 0.869 -0.893 1.596 1.00 0.00 C ATOM 527 SG CYS A 37 1.226 -2.062 2.958 1.00 0.00 S ATOM 0 H CYS A 37 -0.546 -1.678 -0.665 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.165 -0.934 2.149 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.427 -1.204 0.713 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.239 0.093 1.876 1.00 0.00 H new ATOM 532 N PHE A 38 -1.205 1.536 1.572 1.00 0.00 N ATOM 533 CA PHE A 38 -1.541 2.895 1.182 1.00 0.00 C ATOM 534 C PHE A 38 -0.496 3.887 1.697 1.00 0.00 C ATOM 535 O PHE A 38 0.402 3.513 2.450 1.00 0.00 O ATOM 536 CB PHE A 38 -2.894 3.222 1.818 1.00 0.00 C ATOM 537 CG PHE A 38 -3.316 4.684 1.665 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.887 5.109 0.506 1.00 0.00 C ATOM 539 CD2 PHE A 38 -3.122 5.559 2.687 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.279 6.466 0.363 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.514 6.916 2.545 1.00 0.00 C ATOM 542 CZ PHE A 38 -4.084 7.341 1.386 1.00 0.00 C ATOM 0 H PHE A 38 -1.187 1.373 2.579 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.573 2.973 0.095 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.657 2.585 1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.854 2.975 2.879 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.042 4.414 -0.306 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.669 5.222 3.608 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.732 6.803 -0.558 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.360 7.611 3.357 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.382 8.373 1.278 1.00 0.00 H new ATOM 552 N ASP A 39 -0.648 5.132 1.270 1.00 0.00 N ATOM 553 CA ASP A 39 0.272 6.181 1.678 1.00 0.00 C ATOM 554 C ASP A 39 -0.144 7.500 1.024 1.00 0.00 C ATOM 555 O ASP A 39 -0.632 7.511 -0.105 1.00 0.00 O ATOM 556 CB ASP A 39 1.701 5.863 1.235 1.00 0.00 C ATOM 557 CG ASP A 39 2.739 6.930 1.586 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.071 7.026 2.787 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.178 7.627 0.645 1.00 0.00 O ATOM 0 H ASP A 39 -1.394 5.438 0.646 1.00 0.00 H new ATOM 0 HA ASP A 39 0.240 6.254 2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.004 4.919 1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.706 5.714 0.155 1.00 0.00 H new ATOM 564 N SER A 40 0.066 8.581 1.761 1.00 0.00 N ATOM 565 CA SER A 40 -0.281 9.902 1.267 1.00 0.00 C ATOM 566 C SER A 40 0.841 10.892 1.589 1.00 0.00 C ATOM 567 O SER A 40 0.639 12.104 1.535 1.00 0.00 O ATOM 568 CB SER A 40 -1.603 10.385 1.866 1.00 0.00 C ATOM 569 OG SER A 40 -1.487 10.666 3.258 1.00 0.00 O ATOM 0 H SER A 40 0.472 8.569 2.697 1.00 0.00 H new ATOM 0 HA SER A 40 -0.405 9.841 0.186 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.933 11.282 1.341 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.370 9.626 1.712 1.00 0.00 H new ATOM 0 HG SER A 40 -2.351 10.973 3.603 1.00 0.00 H new ATOM 575 N ARG A 41 1.999 10.339 1.917 1.00 0.00 N ATOM 576 CA ARG A 41 3.153 11.157 2.248 1.00 0.00 C ATOM 577 C ARG A 41 3.515 12.064 1.070 1.00 0.00 C ATOM 578 O ARG A 41 3.747 13.259 1.250 1.00 0.00 O ATOM 579 CB ARG A 41 4.361 10.289 2.604 1.00 0.00 C ATOM 580 CG ARG A 41 5.184 10.927 3.724 1.00 0.00 C ATOM 581 CD ARG A 41 6.451 11.582 3.169 1.00 0.00 C ATOM 582 NE ARG A 41 7.641 11.065 3.880 1.00 0.00 N ATOM 583 CZ ARG A 41 8.180 9.858 3.662 1.00 0.00 C ATOM 584 NH1 ARG A 41 7.638 9.036 2.752 1.00 0.00 N ATOM 585 NH2 ARG A 41 9.261 9.472 4.353 1.00 0.00 N ATOM 0 H ARG A 41 2.163 9.333 1.961 1.00 0.00 H new ATOM 0 HA ARG A 41 2.891 11.765 3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.024 9.300 2.914 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.986 10.151 1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.582 11.673 4.243 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.454 10.169 4.459 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.538 11.378 2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.391 12.664 3.283 1.00 0.00 H new ATOM 0 HE ARG A 41 8.078 11.665 4.580 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.815 9.330 2.226 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.049 8.117 2.586 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.674 10.097 5.045 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.671 8.553 4.187 1.00 0.00 H new ATOM 599 N ILE A 42 3.553 11.462 -0.110 1.00 0.00 N ATOM 600 CA ILE A 42 3.883 12.201 -1.317 1.00 0.00 C ATOM 601 C ILE A 42 3.094 11.624 -2.494 1.00 0.00 C ATOM 602 O ILE A 42 3.040 10.408 -2.673 1.00 0.00 O ATOM 603 CB ILE A 42 5.397 12.216 -1.539 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.067 11.039 -0.827 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.999 13.558 -1.118 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.552 9.704 -1.371 1.00 0.00 C ATOM 0 H ILE A 42 3.361 10.471 -0.256 1.00 0.00 H new ATOM 0 HA ILE A 42 3.589 13.246 -1.217 1.00 0.00 H new ATOM 0 HB ILE A 42 5.587 12.098 -2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.147 11.097 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.873 11.099 0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.076 13.542 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.551 14.358 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.799 13.731 -0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.044 8.884 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.475 9.639 -1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.770 9.637 -2.437 1.00 0.00 H new ATOM 618 N PRO A 43 2.487 12.547 -3.287 1.00 0.00 N ATOM 619 CA PRO A 43 1.704 12.143 -4.442 1.00 0.00 C ATOM 620 C PRO A 43 2.612 11.701 -5.592 1.00 0.00 C ATOM 621 O PRO A 43 2.294 10.754 -6.310 1.00 0.00 O ATOM 622 CB PRO A 43 0.856 13.356 -4.787 1.00 0.00 C ATOM 623 CG PRO A 43 1.527 14.540 -4.109 1.00 0.00 C ATOM 624 CD PRO A 43 2.530 13.995 -3.105 1.00 0.00 C ATOM 0 HA PRO A 43 1.073 11.277 -4.240 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.804 13.502 -5.866 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.167 13.231 -4.432 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.027 15.169 -4.846 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.786 15.164 -3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.530 14.388 -3.291 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.262 14.274 -2.086 1.00 0.00 H new ATOM 632 N GLY A 44 3.724 12.408 -5.731 1.00 0.00 N ATOM 633 CA GLY A 44 4.679 12.101 -6.782 1.00 0.00 C ATOM 634 C GLY A 44 4.872 10.590 -6.923 1.00 0.00 C ATOM 635 O GLY A 44 5.174 10.098 -8.009 1.00 0.00 O ATOM 0 H GLY A 44 3.985 13.192 -5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.331 12.517 -7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.635 12.574 -6.559 1.00 0.00 H new ATOM 639 N VAL A 45 4.690 9.896 -5.809 1.00 0.00 N ATOM 640 CA VAL A 45 4.841 8.451 -5.794 1.00 0.00 C ATOM 641 C VAL A 45 3.457 7.799 -5.754 1.00 0.00 C ATOM 642 O VAL A 45 2.450 8.481 -5.572 1.00 0.00 O ATOM 643 CB VAL A 45 5.735 8.029 -4.626 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.693 9.156 -4.235 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.896 7.581 -3.428 1.00 0.00 C ATOM 0 H VAL A 45 4.439 10.308 -4.910 1.00 0.00 H new ATOM 0 HA VAL A 45 5.336 8.109 -6.703 1.00 0.00 H new ATOM 0 HB VAL A 45 6.334 7.178 -4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.317 8.831 -3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.326 9.408 -5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.120 10.034 -3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.556 7.286 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.260 8.404 -3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.274 6.733 -3.716 1.00 0.00 H new ATOM 655 N PRO A 46 3.452 6.450 -5.930 1.00 0.00 N ATOM 656 CA PRO A 46 2.209 5.698 -5.916 1.00 0.00 C ATOM 657 C PRO A 46 1.675 5.548 -4.490 1.00 0.00 C ATOM 658 O PRO A 46 2.027 4.602 -3.788 1.00 0.00 O ATOM 659 CB PRO A 46 2.547 4.367 -6.567 1.00 0.00 C ATOM 660 CG PRO A 46 4.060 4.242 -6.500 1.00 0.00 C ATOM 661 CD PRO A 46 4.625 5.609 -6.148 1.00 0.00 C ATOM 0 HA PRO A 46 1.408 6.199 -6.459 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.064 3.542 -6.043 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.198 4.337 -7.599 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.349 3.505 -5.751 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.457 3.899 -7.455 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.250 5.562 -5.256 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.248 5.999 -6.953 1.00 0.00 H new ATOM 669 N TRP A 47 0.835 6.497 -4.104 1.00 0.00 N ATOM 670 CA TRP A 47 0.249 6.482 -2.774 1.00 0.00 C ATOM 671 C TRP A 47 0.039 5.023 -2.366 1.00 0.00 C ATOM 672 O TRP A 47 0.493 4.600 -1.304 1.00 0.00 O ATOM 673 CB TRP A 47 -1.039 7.306 -2.733 1.00 0.00 C ATOM 674 CG TRP A 47 -0.822 8.786 -2.413 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.263 9.533 -2.660 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.762 9.674 -1.772 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.092 10.833 -2.227 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.179 10.921 -1.670 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.062 9.432 -1.294 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.822 12.023 -1.094 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.691 10.544 -0.721 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.118 11.806 -0.611 1.00 0.00 C ATOM 0 H TRP A 47 0.546 7.281 -4.689 1.00 0.00 H new ATOM 0 HA TRP A 47 0.918 6.952 -2.053 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.542 7.223 -3.697 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.708 6.878 -1.987 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.159 9.164 -3.138 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.772 11.589 -2.302 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.538 8.465 -1.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.344 12.989 -1.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.692 10.412 -0.337 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.670 12.615 -0.155 1.00 0.00 H new ATOM 693 N CYS A 48 -0.649 4.293 -3.232 1.00 0.00 N ATOM 694 CA CYS A 48 -0.925 2.890 -2.974 1.00 0.00 C ATOM 695 C CYS A 48 0.178 2.056 -3.629 1.00 0.00 C ATOM 696 O CYS A 48 0.289 2.018 -4.853 1.00 0.00 O ATOM 697 CB CYS A 48 -2.315 2.487 -3.470 1.00 0.00 C ATOM 698 SG CYS A 48 -3.031 1.022 -2.639 1.00 0.00 S ATOM 0 H CYS A 48 -1.023 4.647 -4.112 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.928 2.708 -1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.992 3.331 -3.336 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.260 2.290 -4.541 1.00 0.00 H new ATOM 703 N PHE A 49 0.966 1.407 -2.783 1.00 0.00 N ATOM 704 CA PHE A 49 2.057 0.576 -3.264 1.00 0.00 C ATOM 705 C PHE A 49 2.078 -0.772 -2.541 1.00 0.00 C ATOM 706 O PHE A 49 1.473 -0.922 -1.481 1.00 0.00 O ATOM 707 CB PHE A 49 3.356 1.325 -2.961 1.00 0.00 C ATOM 708 CG PHE A 49 3.429 1.897 -1.544 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.564 1.062 -0.480 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.360 3.241 -1.350 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.632 1.593 0.836 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.427 3.773 -0.035 1.00 0.00 C ATOM 713 CZ PHE A 49 3.562 2.937 1.030 1.00 0.00 C ATOM 0 H PHE A 49 0.870 1.440 -1.768 1.00 0.00 H new ATOM 0 HA PHE A 49 1.938 0.384 -4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.197 0.648 -3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.469 2.139 -3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.620 -0.005 -0.635 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.254 3.904 -2.196 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.739 0.930 1.682 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.371 4.840 0.120 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.614 3.341 2.030 1.00 0.00 H new ATOM 723 N LYS A 50 2.782 -1.719 -3.144 1.00 0.00 N ATOM 724 CA LYS A 50 2.890 -3.050 -2.570 1.00 0.00 C ATOM 725 C LYS A 50 3.666 -2.972 -1.254 1.00 0.00 C ATOM 726 O LYS A 50 4.340 -1.979 -0.984 1.00 0.00 O ATOM 727 CB LYS A 50 3.497 -4.022 -3.584 1.00 0.00 C ATOM 728 CG LYS A 50 2.578 -4.194 -4.796 1.00 0.00 C ATOM 729 CD LYS A 50 2.641 -5.626 -5.333 1.00 0.00 C ATOM 730 CE LYS A 50 2.820 -5.634 -6.852 1.00 0.00 C ATOM 731 NZ LYS A 50 1.918 -6.629 -7.475 1.00 0.00 N ATOM 0 H LYS A 50 3.283 -1.591 -4.023 1.00 0.00 H new ATOM 0 HA LYS A 50 1.902 -3.445 -2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.470 -3.653 -3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.665 -4.989 -3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.553 -3.951 -4.517 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.869 -3.495 -5.580 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.468 -6.158 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.727 -6.158 -5.068 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.611 -4.643 -7.254 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.855 -5.867 -7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.052 -6.622 -8.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.137 -7.576 -7.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.931 -6.390 -7.253 1.00 0.00 H new ATOM 745 N PRO A 51 3.541 -4.061 -0.448 1.00 0.00 N ATOM 746 CA PRO A 51 4.222 -4.125 0.834 1.00 0.00 C ATOM 747 C PRO A 51 5.717 -4.391 0.648 1.00 0.00 C ATOM 748 O PRO A 51 6.104 -5.426 0.109 1.00 0.00 O ATOM 749 CB PRO A 51 3.513 -5.229 1.601 1.00 0.00 C ATOM 750 CG PRO A 51 2.773 -6.052 0.559 1.00 0.00 C ATOM 751 CD PRO A 51 2.751 -5.255 -0.735 1.00 0.00 C ATOM 0 HA PRO A 51 4.176 -3.184 1.382 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.227 -5.844 2.149 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.821 -4.813 2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.268 -7.011 0.408 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.758 -6.266 0.893 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.180 -5.825 -1.559 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.732 -4.996 -1.023 1.00 0.00 H new ATOM 759 N LEU A 52 6.516 -3.438 1.105 1.00 0.00 N ATOM 760 CA LEU A 52 7.960 -3.557 0.996 1.00 0.00 C ATOM 761 C LEU A 52 8.358 -5.029 1.120 1.00 0.00 C ATOM 762 O LEU A 52 7.834 -5.748 1.969 1.00 0.00 O ATOM 763 CB LEU A 52 8.651 -2.646 2.013 1.00 0.00 C ATOM 764 CG LEU A 52 10.162 -2.836 2.166 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.800 -1.625 2.850 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.478 -4.141 2.900 1.00 0.00 C ATOM 0 H LEU A 52 6.191 -2.580 1.551 1.00 0.00 H new ATOM 0 HA LEU A 52 8.297 -3.217 0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.462 -1.610 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.185 -2.801 2.986 1.00 0.00 H new ATOM 0 HG LEU A 52 10.600 -2.912 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.874 -1.786 2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.619 -0.732 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.362 -1.494 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.558 -4.252 2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.026 -4.119 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.075 -4.982 2.336 1.00 0.00 H new ATOM 778 N GLN A 53 9.280 -5.434 0.259 1.00 0.00 N ATOM 779 CA GLN A 53 9.754 -6.808 0.262 1.00 0.00 C ATOM 780 C GLN A 53 10.286 -7.184 1.646 1.00 0.00 C ATOM 781 O GLN A 53 11.480 -7.057 1.912 1.00 0.00 O ATOM 782 CB GLN A 53 10.822 -7.021 -0.813 1.00 0.00 C ATOM 783 CG GLN A 53 10.194 -7.496 -2.124 1.00 0.00 C ATOM 784 CD GLN A 53 10.116 -6.355 -3.140 1.00 0.00 C ATOM 785 OE1 GLN A 53 10.785 -6.351 -4.161 1.00 0.00 O ATOM 786 NE2 GLN A 53 9.265 -5.390 -2.805 1.00 0.00 N ATOM 0 H GLN A 53 9.711 -4.835 -0.445 1.00 0.00 H new ATOM 0 HA GLN A 53 8.914 -7.462 0.028 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.364 -6.090 -0.982 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.550 -7.755 -0.467 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.782 -8.316 -2.537 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.194 -7.886 -1.932 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.736 -5.456 -1.935 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.141 -4.584 -3.418 1.00 0.00 H new ATOM 795 N GLU A 54 9.373 -7.638 2.492 1.00 0.00 N ATOM 796 CA GLU A 54 9.735 -8.033 3.843 1.00 0.00 C ATOM 797 C GLU A 54 10.653 -9.257 3.810 1.00 0.00 C ATOM 798 O GLU A 54 10.183 -10.392 3.877 1.00 0.00 O ATOM 799 CB GLU A 54 8.489 -8.305 4.687 1.00 0.00 C ATOM 800 CG GLU A 54 7.628 -9.403 4.057 1.00 0.00 C ATOM 801 CD GLU A 54 6.244 -8.868 3.684 1.00 0.00 C ATOM 802 OE1 GLU A 54 5.722 -8.049 4.470 1.00 0.00 O ATOM 803 OE2 GLU A 54 5.741 -9.290 2.621 1.00 0.00 O ATOM 0 H GLU A 54 8.383 -7.741 2.268 1.00 0.00 H new ATOM 0 HA GLU A 54 10.276 -7.209 4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.785 -8.602 5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.904 -7.390 4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.123 -9.793 3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.525 -10.234 4.754 1.00 0.00 H new ATOM 810 N ALA A 55 11.946 -8.985 3.706 1.00 0.00 N ATOM 811 CA ALA A 55 12.934 -10.049 3.663 1.00 0.00 C ATOM 812 C ALA A 55 13.998 -9.795 4.732 1.00 0.00 C ATOM 813 O ALA A 55 14.479 -8.672 4.879 1.00 0.00 O ATOM 814 CB ALA A 55 13.529 -10.137 2.257 1.00 0.00 C ATOM 0 H ALA A 55 12.332 -8.042 3.650 1.00 0.00 H new ATOM 0 HA ALA A 55 12.471 -11.011 3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.270 -10.935 2.225 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.737 -10.349 1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.005 -9.190 2.003 1.00 0.00 H new ATOM 820 N GLU A 56 14.335 -10.855 5.451 1.00 0.00 N ATOM 821 CA GLU A 56 15.334 -10.760 6.502 1.00 0.00 C ATOM 822 C GLU A 56 16.038 -12.106 6.688 1.00 0.00 C ATOM 823 O GLU A 56 15.412 -13.089 7.080 1.00 0.00 O ATOM 824 CB GLU A 56 14.706 -10.284 7.814 1.00 0.00 C ATOM 825 CG GLU A 56 15.776 -10.066 8.886 1.00 0.00 C ATOM 826 CD GLU A 56 15.655 -11.107 10.001 1.00 0.00 C ATOM 827 OE1 GLU A 56 14.500 -11.411 10.371 1.00 0.00 O ATOM 828 OE2 GLU A 56 16.720 -11.574 10.459 1.00 0.00 O ATOM 0 H GLU A 56 13.934 -11.785 5.327 1.00 0.00 H new ATOM 0 HA GLU A 56 16.078 -10.021 6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.161 -9.355 7.645 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.981 -11.020 8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 56 16.766 -10.125 8.434 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.677 -9.065 9.306 1.00 0.00 H new ATOM 835 N CYS A 57 17.331 -12.106 6.397 1.00 0.00 N ATOM 836 CA CYS A 57 18.127 -13.314 6.527 1.00 0.00 C ATOM 837 C CYS A 57 17.481 -14.410 5.677 1.00 0.00 C ATOM 838 O CYS A 57 16.530 -15.059 6.112 1.00 0.00 O ATOM 839 CB CYS A 57 18.275 -13.740 7.990 1.00 0.00 C ATOM 840 SG CYS A 57 18.819 -15.470 8.234 1.00 0.00 S ATOM 0 H CYS A 57 17.847 -11.288 6.072 1.00 0.00 H new ATOM 0 HA CYS A 57 19.139 -13.125 6.167 1.00 0.00 H new ATOM 0 HB2 CYS A 57 18.991 -13.077 8.476 1.00 0.00 H new ATOM 0 HB3 CYS A 57 17.318 -13.600 8.493 1.00 0.00 H new ATOM 0 HG CYS A 57 18.912 -15.720 9.506 1.00 0.00 H new ATOM 845 N THR A 58 18.021 -14.581 4.480 1.00 0.00 N ATOM 846 CA THR A 58 17.509 -15.587 3.564 1.00 0.00 C ATOM 847 C THR A 58 18.656 -16.225 2.778 1.00 0.00 C ATOM 848 O THR A 58 18.734 -17.448 2.670 1.00 0.00 O ATOM 849 CB THR A 58 16.457 -14.923 2.674 1.00 0.00 C ATOM 850 OG1 THR A 58 16.147 -15.918 1.702 1.00 0.00 O ATOM 851 CG2 THR A 58 17.030 -13.766 1.853 1.00 0.00 C ATOM 0 H THR A 58 18.808 -14.040 4.122 1.00 0.00 H new ATOM 0 HA THR A 58 17.031 -16.406 4.102 1.00 0.00 H new ATOM 0 HB THR A 58 15.637 -14.558 3.292 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.470 -15.572 1.084 1.00 0.00 H new ATOM 0 HG21 THR A 58 16.242 -13.330 1.239 1.00 0.00 H new ATOM 0 HG22 THR A 58 17.429 -13.006 2.525 1.00 0.00 H new ATOM 0 HG23 THR A 58 17.828 -14.137 1.210 1.00 0.00 H new ATOM 859 N PHE A 59 19.516 -15.369 2.248 1.00 0.00 N ATOM 860 CA PHE A 59 20.655 -15.834 1.474 1.00 0.00 C ATOM 861 C PHE A 59 21.616 -16.644 2.347 1.00 0.00 C ATOM 862 O PHE A 59 21.217 -17.193 3.373 1.00 0.00 O ATOM 863 CB PHE A 59 21.381 -14.592 0.954 1.00 0.00 C ATOM 864 CG PHE A 59 22.612 -14.902 0.100 1.00 0.00 C ATOM 865 CD1 PHE A 59 22.490 -15.671 -1.014 1.00 0.00 C ATOM 866 CD2 PHE A 59 23.828 -14.408 0.456 1.00 0.00 C ATOM 867 CE1 PHE A 59 23.632 -15.959 -1.807 1.00 0.00 C ATOM 868 CE2 PHE A 59 24.970 -14.695 -0.337 1.00 0.00 C ATOM 869 CZ PHE A 59 24.849 -15.465 -1.451 1.00 0.00 C ATOM 0 H PHE A 59 19.448 -14.355 2.339 1.00 0.00 H new ATOM 0 HA PHE A 59 20.315 -16.476 0.661 1.00 0.00 H new ATOM 0 HB2 PHE A 59 20.684 -13.996 0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 59 21.685 -13.980 1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 59 21.524 -16.063 -1.296 1.00 0.00 H new ATOM 0 HD2 PHE A 59 23.925 -13.798 1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 59 23.535 -16.570 -2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 59 25.935 -14.301 -0.055 1.00 0.00 H new ATOM 0 HZ PHE A 59 25.718 -15.684 -2.053 1.00 0.00 H new TER 879 PHE A 59