USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 447 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 4 HIS : no HE2:sc= -2.1 K(o=-4.7,f=-10!) USER MOD Set 1.2: A 6 GLN : amide:sc= -2.62 K(o=-4.7,f=-13!) USER MOD Single : A 1 LEU N :NH3+ 176:sc=-0.00268 (180deg=-0.0385) USER MOD Single : A 5 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.055) USER MOD Single : A 7 GLN : amide:sc= -1.77 K(o=-1.8,f=-5.2!) USER MOD Single : A 8 SER OG : rot 170:sc= -1.18 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.0042) USER MOD Single : A 13 THR OG1 : rot 59:sc= -0.291 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.082 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0765 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 22 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.57) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.701 USER MOD Single : A 25 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.281) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 24:sc= 0.457 USER MOD Single : A 31 HIS : no HD1:sc= -3.31! C(o=-3.3!,f=-3!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.43) USER MOD Single : A 52 ASN : amide:sc= -2.51 K(o=-2.5,f=-0.91) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.54 K(o=-1.5,f=-13!) USER MOD Single : A 61 ASN : amide:sc= -0.939 K(o=-0.94,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.881 14.451 -1.424 1.00 0.00 N ATOM 2 CA LEU A 1 3.802 14.035 -2.359 1.00 0.00 C ATOM 3 C LEU A 1 2.607 13.464 -1.603 1.00 0.00 C ATOM 4 O LEU A 1 2.532 13.556 -0.378 1.00 0.00 O ATOM 5 CB LEU A 1 4.366 12.991 -3.319 1.00 0.00 C ATOM 6 CG LEU A 1 4.755 11.673 -2.659 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.236 10.491 -3.464 1.00 0.00 C ATOM 8 CD2 LEU A 1 6.263 11.588 -2.488 1.00 0.00 C ATOM 0 H1 LEU A 1 5.707 14.772 -1.968 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.539 15.228 -0.823 1.00 0.00 H new ATOM 0 H3 LEU A 1 5.153 13.644 -0.826 1.00 0.00 H new ATOM 0 HA LEU A 1 3.453 14.906 -2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.626 12.791 -4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 1 5.243 13.407 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 1 4.295 11.636 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.526 9.562 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.149 10.544 -3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.661 10.520 -4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.523 10.641 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 1 6.744 11.650 -3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 1 6.605 12.412 -1.862 1.00 0.00 H new ATOM 22 N GLU A 2 1.673 12.874 -2.342 1.00 0.00 N ATOM 23 CA GLU A 2 0.482 12.287 -1.742 1.00 0.00 C ATOM 24 C GLU A 2 0.213 10.898 -2.313 1.00 0.00 C ATOM 25 O GLU A 2 -0.080 10.750 -3.499 1.00 0.00 O ATOM 26 CB GLU A 2 -0.730 13.192 -1.976 1.00 0.00 C ATOM 27 CG GLU A 2 -1.646 13.308 -0.768 1.00 0.00 C ATOM 28 CD GLU A 2 -2.548 14.524 -0.835 1.00 0.00 C ATOM 29 OE1 GLU A 2 -3.337 14.627 -1.797 1.00 0.00 O ATOM 30 OE2 GLU A 2 -2.463 15.377 0.074 1.00 0.00 O ATOM 0 H GLU A 2 1.719 12.790 -3.358 1.00 0.00 H new ATOM 0 HA GLU A 2 0.654 12.191 -0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.382 14.187 -2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.303 12.807 -2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.259 12.410 -0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.042 13.358 0.138 1.00 0.00 H new ATOM 37 N CYS A 3 0.312 9.883 -1.459 1.00 0.00 N ATOM 38 CA CYS A 3 0.077 8.506 -1.880 1.00 0.00 C ATOM 39 C CYS A 3 -1.143 7.926 -1.172 1.00 0.00 C ATOM 40 O CYS A 3 -1.833 8.627 -0.430 1.00 0.00 O ATOM 41 CB CYS A 3 1.307 7.630 -1.607 1.00 0.00 C ATOM 42 SG CYS A 3 2.420 8.251 -0.300 1.00 0.00 S ATOM 0 H CYS A 3 0.553 9.988 -0.473 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.111 8.514 -2.954 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.969 6.631 -1.332 1.00 0.00 H new ATOM 0 HB3 CYS A 3 1.876 7.530 -2.531 1.00 0.00 H new ATOM 47 N HIS A 4 -1.407 6.646 -1.410 1.00 0.00 N ATOM 48 CA HIS A 4 -2.548 5.976 -0.799 1.00 0.00 C ATOM 49 C HIS A 4 -2.111 5.112 0.381 1.00 0.00 C ATOM 50 O HIS A 4 -0.960 4.683 0.459 1.00 0.00 O ATOM 51 CB HIS A 4 -3.274 5.117 -1.835 1.00 0.00 C ATOM 52 CG HIS A 4 -3.685 5.879 -3.057 1.00 0.00 C ATOM 53 ND1 HIS A 4 -4.736 6.771 -3.069 1.00 0.00 N ATOM 54 CD2 HIS A 4 -3.178 5.881 -4.314 1.00 0.00 C ATOM 55 CE1 HIS A 4 -4.859 7.289 -4.278 1.00 0.00 C ATOM 56 NE2 HIS A 4 -3.926 6.765 -5.052 1.00 0.00 N ATOM 0 H HIS A 4 -0.847 6.052 -2.021 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.229 6.742 -0.428 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.625 4.292 -2.131 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.159 4.677 -1.375 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -5.327 6.996 -2.269 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.342 5.297 -4.669 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.597 8.017 -4.582 1.00 0.00 H new ATOM 65 N ASN A 5 -3.043 4.860 1.295 1.00 0.00 N ATOM 66 CA ASN A 5 -2.763 4.047 2.473 1.00 0.00 C ATOM 67 C ASN A 5 -4.023 3.323 2.938 1.00 0.00 C ATOM 68 O ASN A 5 -4.325 3.284 4.132 1.00 0.00 O ATOM 69 CB ASN A 5 -2.213 4.921 3.602 1.00 0.00 C ATOM 70 CG ASN A 5 -3.125 6.087 3.928 1.00 0.00 C ATOM 71 OD1 ASN A 5 -3.033 7.152 3.316 1.00 0.00 O ATOM 72 ND2 ASN A 5 -4.012 5.892 4.897 1.00 0.00 N ATOM 0 H ASN A 5 -4.000 5.208 1.242 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.013 3.302 2.206 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.074 4.311 4.495 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.231 5.300 3.319 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.652 6.641 5.161 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.053 4.993 5.377 1.00 0.00 H new ATOM 79 N GLN A 6 -4.756 2.755 1.987 1.00 0.00 N ATOM 80 CA GLN A 6 -5.989 2.037 2.294 1.00 0.00 C ATOM 81 C GLN A 6 -5.893 0.574 1.872 1.00 0.00 C ATOM 82 O GLN A 6 -4.832 0.100 1.467 1.00 0.00 O ATOM 83 CB GLN A 6 -7.173 2.703 1.590 1.00 0.00 C ATOM 84 CG GLN A 6 -7.116 2.600 0.074 1.00 0.00 C ATOM 85 CD GLN A 6 -6.651 3.885 -0.583 1.00 0.00 C ATOM 86 OE1 GLN A 6 -6.631 4.943 0.044 1.00 0.00 O ATOM 87 NE2 GLN A 6 -6.275 3.797 -1.854 1.00 0.00 N ATOM 0 H GLN A 6 -4.518 2.778 0.995 1.00 0.00 H new ATOM 0 HA GLN A 6 -6.142 2.073 3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.098 2.247 1.942 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -7.209 3.755 1.873 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.443 1.790 -0.206 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.104 2.339 -0.306 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -6.308 2.898 -2.335 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -5.953 4.629 -2.349 1.00 0.00 H new ATOM 96 N GLN A 7 -7.015 -0.133 1.965 1.00 0.00 N ATOM 97 CA GLN A 7 -7.071 -1.540 1.591 1.00 0.00 C ATOM 98 C GLN A 7 -8.005 -1.741 0.401 1.00 0.00 C ATOM 99 O GLN A 7 -8.523 -0.776 -0.162 1.00 0.00 O ATOM 100 CB GLN A 7 -7.544 -2.391 2.774 1.00 0.00 C ATOM 101 CG GLN A 7 -8.396 -1.635 3.782 1.00 0.00 C ATOM 102 CD GLN A 7 -7.565 -0.814 4.749 1.00 0.00 C ATOM 103 OE1 GLN A 7 -6.389 -0.545 4.503 1.00 0.00 O ATOM 104 NE2 GLN A 7 -8.174 -0.413 5.859 1.00 0.00 N ATOM 0 H GLN A 7 -7.901 0.248 2.298 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.067 -1.857 1.308 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.116 -3.237 2.393 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -6.672 -2.800 3.285 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.083 -0.977 3.250 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.004 -2.345 4.343 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.150 -0.659 6.022 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -7.665 0.141 6.548 1.00 0.00 H new ATOM 113 N SER A 8 -8.217 -2.997 0.023 1.00 0.00 N ATOM 114 CA SER A 8 -9.090 -3.319 -1.101 1.00 0.00 C ATOM 115 C SER A 8 -10.546 -3.398 -0.655 1.00 0.00 C ATOM 116 O SER A 8 -10.833 -3.620 0.523 1.00 0.00 O ATOM 117 CB SER A 8 -8.668 -4.643 -1.739 1.00 0.00 C ATOM 118 OG SER A 8 -9.012 -5.741 -0.911 1.00 0.00 O ATOM 0 H SER A 8 -7.797 -3.808 0.477 1.00 0.00 H new ATOM 0 HA SER A 8 -8.998 -2.522 -1.839 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.149 -4.752 -2.711 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.592 -4.639 -1.915 1.00 0.00 H new ATOM 0 HG SER A 8 -8.881 -6.577 -1.405 1.00 0.00 H new ATOM 124 N SER A 9 -11.463 -3.216 -1.604 1.00 0.00 N ATOM 125 CA SER A 9 -12.898 -3.266 -1.323 1.00 0.00 C ATOM 126 C SER A 9 -13.383 -1.967 -0.683 1.00 0.00 C ATOM 127 O SER A 9 -14.317 -1.333 -1.175 1.00 0.00 O ATOM 128 CB SER A 9 -13.234 -4.453 -0.416 1.00 0.00 C ATOM 129 OG SER A 9 -14.572 -4.880 -0.606 1.00 0.00 O ATOM 0 H SER A 9 -11.236 -3.031 -2.581 1.00 0.00 H new ATOM 0 HA SER A 9 -13.414 -3.393 -2.275 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.553 -5.278 -0.625 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.084 -4.172 0.626 1.00 0.00 H new ATOM 0 HG SER A 9 -14.760 -5.640 -0.016 1.00 0.00 H new ATOM 135 N GLN A 10 -12.747 -1.577 0.417 1.00 0.00 N ATOM 136 CA GLN A 10 -13.118 -0.354 1.126 1.00 0.00 C ATOM 137 C GLN A 10 -13.105 0.851 0.188 1.00 0.00 C ATOM 138 O GLN A 10 -12.912 0.709 -1.019 1.00 0.00 O ATOM 139 CB GLN A 10 -12.168 -0.115 2.299 1.00 0.00 C ATOM 140 CG GLN A 10 -12.683 -0.670 3.615 1.00 0.00 C ATOM 141 CD GLN A 10 -13.250 0.405 4.520 1.00 0.00 C ATOM 142 OE1 GLN A 10 -14.414 0.348 4.917 1.00 0.00 O ATOM 143 NE2 GLN A 10 -12.428 1.393 4.853 1.00 0.00 N ATOM 0 H GLN A 10 -11.972 -2.089 0.838 1.00 0.00 H new ATOM 0 HA GLN A 10 -14.132 -0.479 1.507 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.203 -0.570 2.074 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.998 0.956 2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.454 -1.414 3.414 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.871 -1.183 4.131 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.471 1.400 4.501 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.754 2.145 5.461 1.00 0.00 H new ATOM 152 N ALA A 11 -13.315 2.036 0.753 1.00 0.00 N ATOM 153 CA ALA A 11 -13.330 3.266 -0.029 1.00 0.00 C ATOM 154 C ALA A 11 -11.975 3.969 0.023 1.00 0.00 C ATOM 155 O ALA A 11 -11.603 4.540 1.049 1.00 0.00 O ATOM 156 CB ALA A 11 -14.425 4.195 0.474 1.00 0.00 C ATOM 0 H ALA A 11 -13.477 2.170 1.751 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.535 3.004 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.426 5.110 -0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.392 3.701 0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.242 4.440 1.520 1.00 0.00 H new ATOM 162 N PRO A 12 -11.211 3.937 -1.086 1.00 0.00 N ATOM 163 CA PRO A 12 -9.889 4.572 -1.160 1.00 0.00 C ATOM 164 C PRO A 12 -9.869 5.979 -0.571 1.00 0.00 C ATOM 165 O PRO A 12 -10.914 6.545 -0.251 1.00 0.00 O ATOM 166 CB PRO A 12 -9.624 4.614 -2.660 1.00 0.00 C ATOM 167 CG PRO A 12 -10.298 3.392 -3.163 1.00 0.00 C ATOM 168 CD PRO A 12 -11.564 3.277 -2.358 1.00 0.00 C ATOM 0 HA PRO A 12 -9.140 4.028 -0.584 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.034 5.515 -3.115 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.556 4.603 -2.880 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.515 3.473 -4.228 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.667 2.513 -3.032 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.401 3.772 -2.850 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.853 2.237 -2.206 1.00 0.00 H new ATOM 176 N THR A 13 -8.671 6.537 -0.434 1.00 0.00 N ATOM 177 CA THR A 13 -8.506 7.879 0.113 1.00 0.00 C ATOM 178 C THR A 13 -7.157 8.464 -0.296 1.00 0.00 C ATOM 179 O THR A 13 -6.380 7.821 -1.000 1.00 0.00 O ATOM 180 CB THR A 13 -8.621 7.849 1.638 1.00 0.00 C ATOM 181 OG1 THR A 13 -8.413 9.140 2.181 1.00 0.00 O ATOM 182 CG2 THR A 13 -7.633 6.911 2.295 1.00 0.00 C ATOM 0 H THR A 13 -7.798 6.079 -0.695 1.00 0.00 H new ATOM 0 HA THR A 13 -9.297 8.512 -0.290 1.00 0.00 H new ATOM 0 HB THR A 13 -9.629 7.490 1.844 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.075 9.761 1.811 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.769 6.938 3.376 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.799 5.896 1.934 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.618 7.222 2.049 1.00 0.00 H new ATOM 190 N THR A 14 -6.886 9.687 0.148 1.00 0.00 N ATOM 191 CA THR A 14 -5.630 10.354 -0.176 1.00 0.00 C ATOM 192 C THR A 14 -5.246 11.353 0.910 1.00 0.00 C ATOM 193 O THR A 14 -6.022 12.246 1.251 1.00 0.00 O ATOM 194 CB THR A 14 -5.743 11.067 -1.525 1.00 0.00 C ATOM 195 OG1 THR A 14 -7.074 11.490 -1.760 1.00 0.00 O ATOM 196 CG2 THR A 14 -5.322 10.203 -2.695 1.00 0.00 C ATOM 0 H THR A 14 -7.518 10.235 0.732 1.00 0.00 H new ATOM 0 HA THR A 14 -4.850 9.595 -0.236 1.00 0.00 H new ATOM 0 HB THR A 14 -5.065 11.918 -1.459 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.124 11.945 -2.627 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.426 10.769 -3.621 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.282 9.901 -2.569 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.954 9.316 -2.738 1.00 0.00 H new ATOM 204 N LYS A 15 -4.039 11.198 1.448 1.00 0.00 N ATOM 205 CA LYS A 15 -3.548 12.087 2.496 1.00 0.00 C ATOM 206 C LYS A 15 -2.027 12.023 2.591 1.00 0.00 C ATOM 207 O LYS A 15 -1.424 10.974 2.365 1.00 0.00 O ATOM 208 CB LYS A 15 -4.175 11.717 3.842 1.00 0.00 C ATOM 209 CG LYS A 15 -4.817 12.896 4.559 1.00 0.00 C ATOM 210 CD LYS A 15 -4.307 13.034 5.987 1.00 0.00 C ATOM 211 CE LYS A 15 -5.445 12.976 6.995 1.00 0.00 C ATOM 212 NZ LYS A 15 -5.536 11.643 7.652 1.00 0.00 N ATOM 0 H LYS A 15 -3.384 10.465 1.175 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.835 13.107 2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.928 10.945 3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.408 11.286 4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.609 13.813 4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.900 12.769 4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.593 12.238 6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.773 13.978 6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.298 13.745 7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.387 13.199 6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.323 11.644 8.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.701 10.911 6.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.647 11.441 8.153 1.00 0.00 H new ATOM 226 N THR A 16 -1.412 13.152 2.927 1.00 0.00 N ATOM 227 CA THR A 16 0.040 13.224 3.052 1.00 0.00 C ATOM 228 C THR A 16 0.488 12.795 4.445 1.00 0.00 C ATOM 229 O THR A 16 -0.288 12.843 5.401 1.00 0.00 O ATOM 230 CB THR A 16 0.529 14.643 2.760 1.00 0.00 C ATOM 231 OG1 THR A 16 -0.017 15.120 1.543 1.00 0.00 O ATOM 232 CG2 THR A 16 2.035 14.748 2.660 1.00 0.00 C ATOM 0 H THR A 16 -1.896 14.030 3.118 1.00 0.00 H new ATOM 0 HA THR A 16 0.476 12.541 2.323 1.00 0.00 H new ATOM 0 HB THR A 16 0.195 15.244 3.606 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.306 16.030 1.374 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.315 15.781 2.452 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.485 14.433 3.602 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.392 14.106 1.855 1.00 0.00 H new ATOM 240 N CYS A 17 1.744 12.375 4.554 1.00 0.00 N ATOM 241 CA CYS A 17 2.297 11.937 5.831 1.00 0.00 C ATOM 242 C CYS A 17 3.252 12.983 6.398 1.00 0.00 C ATOM 243 O CYS A 17 4.152 13.456 5.705 1.00 0.00 O ATOM 244 CB CYS A 17 3.025 10.603 5.665 1.00 0.00 C ATOM 245 SG CYS A 17 1.919 9.181 5.387 1.00 0.00 S ATOM 0 H CYS A 17 2.399 12.329 3.773 1.00 0.00 H new ATOM 0 HA CYS A 17 1.471 11.808 6.530 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.717 10.681 4.826 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.624 10.415 6.556 1.00 0.00 H new ATOM 250 N SER A 18 3.051 13.336 7.664 1.00 0.00 N ATOM 251 CA SER A 18 3.896 14.324 8.323 1.00 0.00 C ATOM 252 C SER A 18 5.212 13.699 8.774 1.00 0.00 C ATOM 253 O SER A 18 5.262 12.988 9.778 1.00 0.00 O ATOM 254 CB SER A 18 3.168 14.927 9.526 1.00 0.00 C ATOM 255 OG SER A 18 2.234 14.011 10.069 1.00 0.00 O ATOM 0 H SER A 18 2.311 12.953 8.253 1.00 0.00 H new ATOM 0 HA SER A 18 4.116 15.114 7.605 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.893 15.208 10.290 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.654 15.839 9.224 1.00 0.00 H new ATOM 0 HG SER A 18 1.784 14.420 10.837 1.00 0.00 H new ATOM 261 N GLY A 19 6.276 13.966 8.024 1.00 0.00 N ATOM 262 CA GLY A 19 7.578 13.421 8.361 1.00 0.00 C ATOM 263 C GLY A 19 8.066 12.414 7.338 1.00 0.00 C ATOM 264 O GLY A 19 9.212 12.478 6.890 1.00 0.00 O ATOM 0 H GLY A 19 6.260 14.551 7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.300 14.234 8.439 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.527 12.945 9.340 1.00 0.00 H new ATOM 268 N GLU A 20 7.195 11.481 6.967 1.00 0.00 N ATOM 269 CA GLU A 20 7.541 10.458 5.990 1.00 0.00 C ATOM 270 C GLU A 20 7.844 11.082 4.632 1.00 0.00 C ATOM 271 O GLU A 20 7.835 12.305 4.487 1.00 0.00 O ATOM 272 CB GLU A 20 6.399 9.448 5.859 1.00 0.00 C ATOM 273 CG GLU A 20 6.447 8.339 6.897 1.00 0.00 C ATOM 274 CD GLU A 20 7.351 7.194 6.483 1.00 0.00 C ATOM 275 OE1 GLU A 20 7.200 6.701 5.346 1.00 0.00 O ATOM 276 OE2 GLU A 20 8.210 6.793 7.296 1.00 0.00 O ATOM 0 H GLU A 20 6.244 11.413 7.329 1.00 0.00 H new ATOM 0 HA GLU A 20 8.436 9.943 6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.448 9.974 5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.429 9.005 4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.796 8.748 7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.439 7.959 7.065 1.00 0.00 H new ATOM 283 N THR A 21 8.114 10.240 3.640 1.00 0.00 N ATOM 284 CA THR A 21 8.420 10.720 2.298 1.00 0.00 C ATOM 285 C THR A 21 8.102 9.662 1.246 1.00 0.00 C ATOM 286 O THR A 21 7.522 9.966 0.203 1.00 0.00 O ATOM 287 CB THR A 21 9.892 11.124 2.202 1.00 0.00 C ATOM 288 OG1 THR A 21 10.218 12.071 3.204 1.00 0.00 O ATOM 289 CG2 THR A 21 10.261 11.726 0.864 1.00 0.00 C ATOM 0 H THR A 21 8.127 9.225 3.740 1.00 0.00 H new ATOM 0 HA THR A 21 7.795 11.592 2.105 1.00 0.00 H new ATOM 0 HB THR A 21 10.455 10.200 2.334 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.164 12.316 3.127 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.318 11.990 0.863 1.00 0.00 H new ATOM 0 HG22 THR A 21 10.067 11.001 0.073 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.663 12.621 0.690 1.00 0.00 H new ATOM 297 N ASN A 22 8.490 8.424 1.523 1.00 0.00 N ATOM 298 CA ASN A 22 8.249 7.323 0.594 1.00 0.00 C ATOM 299 C ASN A 22 7.024 6.515 1.003 1.00 0.00 C ATOM 300 O ASN A 22 6.662 6.465 2.179 1.00 0.00 O ATOM 301 CB ASN A 22 9.466 6.394 0.517 1.00 0.00 C ATOM 302 CG ASN A 22 10.761 7.077 0.907 1.00 0.00 C ATOM 303 OD1 ASN A 22 11.039 8.198 0.482 1.00 0.00 O ATOM 304 ND2 ASN A 22 11.559 6.399 1.721 1.00 0.00 N ATOM 0 H ASN A 22 8.972 8.155 2.381 1.00 0.00 H new ATOM 0 HA ASN A 22 8.071 7.763 -0.387 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.303 5.537 1.170 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.557 6.008 -0.498 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.446 6.805 2.020 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.286 5.472 2.048 1.00 0.00 H new ATOM 311 N CYS A 23 6.401 5.870 0.024 1.00 0.00 N ATOM 312 CA CYS A 23 5.228 5.044 0.269 1.00 0.00 C ATOM 313 C CYS A 23 5.468 3.632 -0.254 1.00 0.00 C ATOM 314 O CYS A 23 6.588 3.290 -0.633 1.00 0.00 O ATOM 315 CB CYS A 23 3.994 5.656 -0.399 1.00 0.00 C ATOM 316 SG CYS A 23 2.917 6.582 0.744 1.00 0.00 S ATOM 0 H CYS A 23 6.692 5.905 -0.953 1.00 0.00 H new ATOM 0 HA CYS A 23 5.050 4.997 1.343 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.319 6.323 -1.197 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.413 4.860 -0.865 1.00 0.00 H new ATOM 321 N TYR A 24 4.423 2.812 -0.278 1.00 0.00 N ATOM 322 CA TYR A 24 4.556 1.445 -0.762 1.00 0.00 C ATOM 323 C TYR A 24 3.212 0.851 -1.157 1.00 0.00 C ATOM 324 O TYR A 24 2.165 1.477 -0.997 1.00 0.00 O ATOM 325 CB TYR A 24 5.212 0.561 0.299 1.00 0.00 C ATOM 326 CG TYR A 24 4.454 0.519 1.608 1.00 0.00 C ATOM 327 CD1 TYR A 24 3.228 -0.128 1.703 1.00 0.00 C ATOM 328 CD2 TYR A 24 4.966 1.126 2.748 1.00 0.00 C ATOM 329 CE1 TYR A 24 2.534 -0.168 2.897 1.00 0.00 C ATOM 330 CE2 TYR A 24 4.278 1.089 3.945 1.00 0.00 C ATOM 331 CZ TYR A 24 3.062 0.441 4.015 1.00 0.00 C ATOM 332 OH TYR A 24 2.374 0.402 5.206 1.00 0.00 O ATOM 0 H TYR A 24 3.484 3.067 0.029 1.00 0.00 H new ATOM 0 HA TYR A 24 5.188 1.480 -1.650 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.303 -0.453 -0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.223 0.922 0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.811 -0.607 0.830 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.917 1.635 2.697 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.582 -0.674 2.954 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.690 1.565 4.822 1.00 0.00 H new ATOM 0 HH TYR A 24 2.884 0.878 5.894 1.00 0.00 H new ATOM 342 N LYS A 25 3.262 -0.372 -1.668 1.00 0.00 N ATOM 343 CA LYS A 25 2.065 -1.087 -2.088 1.00 0.00 C ATOM 344 C LYS A 25 2.274 -2.589 -1.947 1.00 0.00 C ATOM 345 O LYS A 25 3.221 -3.148 -2.502 1.00 0.00 O ATOM 346 CB LYS A 25 1.708 -0.739 -3.534 1.00 0.00 C ATOM 347 CG LYS A 25 0.215 -0.787 -3.818 1.00 0.00 C ATOM 348 CD LYS A 25 -0.159 -1.995 -4.663 1.00 0.00 C ATOM 349 CE LYS A 25 -0.627 -1.583 -6.050 1.00 0.00 C ATOM 350 NZ LYS A 25 0.446 -0.891 -6.816 1.00 0.00 N ATOM 0 H LYS A 25 4.128 -0.894 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 25 1.239 -0.782 -1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.081 0.259 -3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.220 -1.431 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.334 -0.818 -2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.087 0.125 -4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.701 -2.659 -4.751 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.948 -2.559 -4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.954 -2.466 -6.600 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.491 -0.925 -5.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.152 0.085 -7.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.321 -0.878 -6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.616 -1.396 -7.709 1.00 0.00 H new ATOM 364 N LYS A 26 1.398 -3.235 -1.191 1.00 0.00 N ATOM 365 CA LYS A 26 1.498 -4.671 -0.965 1.00 0.00 C ATOM 366 C LYS A 26 0.237 -5.391 -1.417 1.00 0.00 C ATOM 367 O LYS A 26 -0.854 -4.827 -1.388 1.00 0.00 O ATOM 368 CB LYS A 26 1.753 -4.960 0.518 1.00 0.00 C ATOM 369 CG LYS A 26 1.373 -3.818 1.450 1.00 0.00 C ATOM 370 CD LYS A 26 1.559 -4.204 2.909 1.00 0.00 C ATOM 371 CE LYS A 26 2.249 -3.102 3.696 1.00 0.00 C ATOM 372 NZ LYS A 26 2.925 -3.628 4.914 1.00 0.00 N ATOM 0 H LYS A 26 0.609 -2.788 -0.723 1.00 0.00 H new ATOM 0 HA LYS A 26 2.336 -5.042 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.193 -5.850 0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.810 -5.190 0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.983 -2.944 1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.335 -3.536 1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.588 -4.418 3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.147 -5.120 2.972 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.982 -2.606 3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.516 -2.349 3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.383 -2.845 5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.222 -4.079 5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.643 -4.328 4.638 1.00 0.00 H new ATOM 386 N TRP A 27 0.395 -6.644 -1.825 1.00 0.00 N ATOM 387 CA TRP A 27 -0.739 -7.446 -2.265 1.00 0.00 C ATOM 388 C TRP A 27 -0.438 -8.931 -2.168 1.00 0.00 C ATOM 389 O TRP A 27 0.713 -9.341 -2.024 1.00 0.00 O ATOM 390 CB TRP A 27 -1.138 -7.116 -3.700 1.00 0.00 C ATOM 391 CG TRP A 27 -0.033 -7.247 -4.681 1.00 0.00 C ATOM 392 CD1 TRP A 27 0.168 -8.296 -5.501 1.00 0.00 C ATOM 393 CD2 TRP A 27 1.003 -6.300 -4.963 1.00 0.00 C ATOM 394 NE1 TRP A 27 1.270 -8.082 -6.280 1.00 0.00 N ATOM 395 CE2 TRP A 27 1.806 -6.861 -5.970 1.00 0.00 C ATOM 396 CE3 TRP A 27 1.335 -5.037 -4.464 1.00 0.00 C ATOM 397 CZ2 TRP A 27 2.919 -6.208 -6.491 1.00 0.00 C ATOM 398 CZ3 TRP A 27 2.440 -4.387 -4.983 1.00 0.00 C ATOM 399 CH2 TRP A 27 3.220 -4.973 -5.987 1.00 0.00 C ATOM 0 H TRP A 27 1.294 -7.125 -1.860 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.567 -7.201 -1.600 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -1.955 -7.773 -3.999 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -1.521 -6.096 -3.734 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -0.452 -9.179 -5.538 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.635 -8.728 -6.980 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.740 -4.578 -3.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.522 -6.660 -7.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.706 -3.410 -4.607 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.077 -4.439 -6.371 1.00 0.00 H new ATOM 410 N TRP A 28 -1.491 -9.729 -2.254 1.00 0.00 N ATOM 411 CA TRP A 28 -1.363 -11.177 -2.184 1.00 0.00 C ATOM 412 C TRP A 28 -2.588 -11.859 -2.781 1.00 0.00 C ATOM 413 O TRP A 28 -3.531 -11.196 -3.218 1.00 0.00 O ATOM 414 CB TRP A 28 -1.191 -11.611 -0.734 1.00 0.00 C ATOM 415 CG TRP A 28 -2.257 -11.073 0.143 1.00 0.00 C ATOM 416 CD1 TRP A 28 -3.439 -11.666 0.430 1.00 0.00 C ATOM 417 CD2 TRP A 28 -2.243 -9.823 0.842 1.00 0.00 C ATOM 418 NE1 TRP A 28 -4.166 -10.869 1.264 1.00 0.00 N ATOM 419 CE2 TRP A 28 -3.458 -9.733 1.538 1.00 0.00 C ATOM 420 CE3 TRP A 28 -1.325 -8.772 0.952 1.00 0.00 C ATOM 421 CZ2 TRP A 28 -3.785 -8.641 2.333 1.00 0.00 C ATOM 422 CZ3 TRP A 28 -1.651 -7.686 1.743 1.00 0.00 C ATOM 423 CH2 TRP A 28 -2.872 -7.629 2.424 1.00 0.00 C ATOM 0 H TRP A 28 -2.448 -9.397 -2.373 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.486 -11.472 -2.760 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.194 -12.700 -0.680 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.220 -11.276 -0.369 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.759 -12.627 0.055 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.094 -11.087 1.627 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.381 -8.809 0.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.727 -8.594 2.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.952 -6.868 1.837 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.097 -6.767 3.034 1.00 0.00 H new ATOM 434 N SER A 29 -2.569 -13.187 -2.788 1.00 0.00 N ATOM 435 CA SER A 29 -3.680 -13.966 -3.323 1.00 0.00 C ATOM 436 C SER A 29 -4.121 -15.033 -2.326 1.00 0.00 C ATOM 437 O SER A 29 -3.347 -15.922 -1.969 1.00 0.00 O ATOM 438 CB SER A 29 -3.280 -14.622 -4.645 1.00 0.00 C ATOM 439 OG SER A 29 -4.414 -15.136 -5.324 1.00 0.00 O ATOM 0 H SER A 29 -1.796 -13.747 -2.429 1.00 0.00 H new ATOM 0 HA SER A 29 -4.516 -13.289 -3.500 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.773 -13.893 -5.277 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.570 -15.427 -4.455 1.00 0.00 H new ATOM 0 HG SER A 29 -5.217 -14.661 -5.025 1.00 0.00 H new ATOM 445 N ASP A 30 -5.369 -14.940 -1.878 1.00 0.00 N ATOM 446 CA ASP A 30 -5.912 -15.897 -0.921 1.00 0.00 C ATOM 447 C ASP A 30 -7.249 -16.452 -1.401 1.00 0.00 C ATOM 448 O ASP A 30 -7.588 -16.347 -2.580 1.00 0.00 O ATOM 449 CB ASP A 30 -6.079 -15.239 0.450 1.00 0.00 C ATOM 450 CG ASP A 30 -5.685 -16.160 1.587 1.00 0.00 C ATOM 451 OD1 ASP A 30 -4.862 -17.071 1.356 1.00 0.00 O ATOM 452 OD2 ASP A 30 -6.199 -15.972 2.710 1.00 0.00 O ATOM 0 H ASP A 30 -6.023 -14.211 -2.163 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.209 -16.725 -0.835 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.472 -14.335 0.492 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.117 -14.932 0.578 1.00 0.00 H new ATOM 457 N HIS A 31 -8.006 -17.044 -0.481 1.00 0.00 N ATOM 458 CA HIS A 31 -9.306 -17.615 -0.813 1.00 0.00 C ATOM 459 C HIS A 31 -10.250 -16.543 -1.348 1.00 0.00 C ATOM 460 O HIS A 31 -10.998 -16.779 -2.297 1.00 0.00 O ATOM 461 CB HIS A 31 -9.921 -18.292 0.414 1.00 0.00 C ATOM 462 CG HIS A 31 -10.222 -17.347 1.537 1.00 0.00 C ATOM 463 ND1 HIS A 31 -11.502 -17.096 1.986 1.00 0.00 N ATOM 464 CD2 HIS A 31 -9.400 -16.595 2.307 1.00 0.00 C ATOM 465 CE1 HIS A 31 -11.454 -16.230 2.983 1.00 0.00 C ATOM 466 NE2 HIS A 31 -10.191 -15.911 3.198 1.00 0.00 N ATOM 0 H HIS A 31 -7.741 -17.140 0.499 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.158 -18.363 -1.592 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.842 -18.794 0.117 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.239 -19.063 0.773 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -8.324 -16.543 2.234 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.304 -15.848 3.529 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -9.857 -15.262 3.910 1.00 0.00 H new ATOM 475 N ARG A 32 -10.206 -15.364 -0.737 1.00 0.00 N ATOM 476 CA ARG A 32 -11.051 -14.256 -1.152 1.00 0.00 C ATOM 477 C ARG A 32 -10.710 -13.817 -2.572 1.00 0.00 C ATOM 478 O ARG A 32 -11.566 -13.318 -3.302 1.00 0.00 O ATOM 479 CB ARG A 32 -10.881 -13.084 -0.188 1.00 0.00 C ATOM 480 CG ARG A 32 -11.106 -13.455 1.268 1.00 0.00 C ATOM 481 CD ARG A 32 -10.452 -12.456 2.207 1.00 0.00 C ATOM 482 NE ARG A 32 -11.168 -11.182 2.237 1.00 0.00 N ATOM 483 CZ ARG A 32 -11.027 -10.276 3.201 1.00 0.00 C ATOM 484 NH1 ARG A 32 -10.199 -10.497 4.214 1.00 0.00 N ATOM 485 NH2 ARG A 32 -11.717 -9.144 3.152 1.00 0.00 N ATOM 0 H ARG A 32 -9.591 -15.153 0.049 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.089 -14.588 -1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.876 -12.676 -0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.578 -12.293 -0.464 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.176 -13.500 1.471 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.704 -14.450 1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.415 -12.875 3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.422 -12.286 1.894 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.813 -10.976 1.474 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.666 -11.366 4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.095 -9.798 4.950 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.355 -8.969 2.376 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.610 -8.449 3.891 1.00 0.00 H new ATOM 499 N GLY A 33 -9.452 -14.007 -2.957 1.00 0.00 N ATOM 500 CA GLY A 33 -9.016 -13.626 -4.287 1.00 0.00 C ATOM 501 C GLY A 33 -7.701 -12.872 -4.267 1.00 0.00 C ATOM 502 O GLY A 33 -6.632 -13.477 -4.182 1.00 0.00 O ATOM 0 H GLY A 33 -8.726 -14.419 -2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.911 -14.520 -4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.781 -13.006 -4.754 1.00 0.00 H new ATOM 506 N THR A 34 -7.780 -11.549 -4.345 1.00 0.00 N ATOM 507 CA THR A 34 -6.586 -10.710 -4.334 1.00 0.00 C ATOM 508 C THR A 34 -6.813 -9.455 -3.499 1.00 0.00 C ATOM 509 O THR A 34 -7.798 -8.740 -3.688 1.00 0.00 O ATOM 510 CB THR A 34 -6.198 -10.323 -5.763 1.00 0.00 C ATOM 511 OG1 THR A 34 -6.367 -11.420 -6.642 1.00 0.00 O ATOM 512 CG2 THR A 34 -4.765 -9.852 -5.885 1.00 0.00 C ATOM 0 H THR A 34 -8.657 -11.034 -4.417 1.00 0.00 H new ATOM 0 HA THR A 34 -5.773 -11.281 -3.886 1.00 0.00 H new ATOM 0 HB THR A 34 -6.859 -9.498 -6.030 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.115 -11.153 -7.551 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.554 -9.593 -6.923 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.615 -8.975 -5.255 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.092 -10.648 -5.566 1.00 0.00 H new ATOM 520 N ILE A 35 -5.894 -9.189 -2.576 1.00 0.00 N ATOM 521 CA ILE A 35 -5.995 -8.015 -1.714 1.00 0.00 C ATOM 522 C ILE A 35 -4.759 -7.134 -1.847 1.00 0.00 C ATOM 523 O ILE A 35 -3.659 -7.631 -2.088 1.00 0.00 O ATOM 524 CB ILE A 35 -6.171 -8.413 -0.236 1.00 0.00 C ATOM 525 CG1 ILE A 35 -7.262 -9.476 -0.096 1.00 0.00 C ATOM 526 CG2 ILE A 35 -6.504 -7.189 0.604 1.00 0.00 C ATOM 527 CD1 ILE A 35 -7.490 -9.925 1.332 1.00 0.00 C ATOM 0 H ILE A 35 -5.072 -9.769 -2.405 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.875 -7.459 -2.037 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.233 -8.835 0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.195 -9.082 -0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.994 -10.342 -0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.626 -7.485 1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.695 -6.463 0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.430 -6.741 0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.277 -10.679 1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.569 -10.349 1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.789 -9.070 1.939 1.00 0.00 H new ATOM 539 N ILE A 36 -4.945 -5.826 -1.693 1.00 0.00 N ATOM 540 CA ILE A 36 -3.837 -4.883 -1.803 1.00 0.00 C ATOM 541 C ILE A 36 -3.955 -3.754 -0.778 1.00 0.00 C ATOM 542 O ILE A 36 -5.001 -3.115 -0.664 1.00 0.00 O ATOM 543 CB ILE A 36 -3.763 -4.273 -3.223 1.00 0.00 C ATOM 544 CG1 ILE A 36 -4.924 -3.299 -3.457 1.00 0.00 C ATOM 545 CG2 ILE A 36 -3.775 -5.373 -4.274 1.00 0.00 C ATOM 546 CD1 ILE A 36 -4.957 -2.721 -4.857 1.00 0.00 C ATOM 0 H ILE A 36 -5.848 -5.397 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.925 -5.445 -1.604 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.828 -3.719 -3.309 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.865 -3.815 -3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.854 -2.483 -2.738 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.722 -4.928 -5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.917 -6.029 -4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.694 -5.952 -4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.804 -2.041 -4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.032 -2.177 -5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.059 -3.529 -5.582 1.00 0.00 H new ATOM 558 N GLU A 37 -2.874 -3.503 -0.039 1.00 0.00 N ATOM 559 CA GLU A 37 -2.864 -2.442 0.961 1.00 0.00 C ATOM 560 C GLU A 37 -1.734 -1.457 0.681 1.00 0.00 C ATOM 561 O GLU A 37 -0.831 -1.742 -0.106 1.00 0.00 O ATOM 562 CB GLU A 37 -2.719 -3.019 2.374 1.00 0.00 C ATOM 563 CG GLU A 37 -2.157 -4.430 2.416 1.00 0.00 C ATOM 564 CD GLU A 37 -1.784 -4.866 3.819 1.00 0.00 C ATOM 565 OE1 GLU A 37 -2.261 -4.233 4.786 1.00 0.00 O ATOM 566 OE2 GLU A 37 -1.014 -5.841 3.953 1.00 0.00 O ATOM 0 H GLU A 37 -1.998 -4.020 -0.116 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.816 -1.915 0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.071 -2.364 2.957 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.696 -3.014 2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.893 -5.123 2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.277 -4.486 1.776 1.00 0.00 H new ATOM 573 N ARG A 38 -1.787 -0.296 1.325 1.00 0.00 N ATOM 574 CA ARG A 38 -0.765 0.726 1.136 1.00 0.00 C ATOM 575 C ARG A 38 -0.428 1.416 2.452 1.00 0.00 C ATOM 576 O ARG A 38 -1.114 1.232 3.457 1.00 0.00 O ATOM 577 CB ARG A 38 -1.232 1.761 0.110 1.00 0.00 C ATOM 578 CG ARG A 38 -1.682 1.152 -1.208 1.00 0.00 C ATOM 579 CD ARG A 38 -3.143 0.734 -1.159 1.00 0.00 C ATOM 580 NE ARG A 38 -3.846 1.055 -2.399 1.00 0.00 N ATOM 581 CZ ARG A 38 -5.073 0.628 -2.687 1.00 0.00 C ATOM 582 NH1 ARG A 38 -5.735 -0.135 -1.826 1.00 0.00 N ATOM 583 NH2 ARG A 38 -5.640 0.964 -3.838 1.00 0.00 N ATOM 0 H ARG A 38 -2.525 -0.040 1.981 1.00 0.00 H new ATOM 0 HA ARG A 38 0.135 0.235 0.766 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.055 2.335 0.535 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.420 2.462 -0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.536 1.873 -2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.062 0.286 -1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.207 -0.338 -0.973 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.635 1.233 -0.324 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.368 1.641 -3.084 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.303 -0.396 -0.939 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.675 -0.460 -2.051 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.135 1.550 -4.503 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.581 0.636 -4.058 1.00 0.00 H new ATOM 597 N GLY A 39 0.637 2.212 2.437 1.00 0.00 N ATOM 598 CA GLY A 39 1.053 2.921 3.632 1.00 0.00 C ATOM 599 C GLY A 39 2.246 3.821 3.384 1.00 0.00 C ATOM 600 O GLY A 39 2.732 3.920 2.257 1.00 0.00 O ATOM 0 H GLY A 39 1.220 2.378 1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.221 3.519 4.004 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.301 2.200 4.411 1.00 0.00 H new ATOM 604 N CYS A 40 2.720 4.480 4.436 1.00 0.00 N ATOM 605 CA CYS A 40 3.866 5.375 4.324 1.00 0.00 C ATOM 606 C CYS A 40 5.134 4.706 4.844 1.00 0.00 C ATOM 607 O CYS A 40 5.162 4.186 5.960 1.00 0.00 O ATOM 608 CB CYS A 40 3.603 6.672 5.095 1.00 0.00 C ATOM 609 SG CYS A 40 2.941 8.023 4.068 1.00 0.00 S ATOM 0 H CYS A 40 2.329 4.411 5.375 1.00 0.00 H new ATOM 0 HA CYS A 40 4.010 5.610 3.270 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.901 6.466 5.903 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.533 7.003 5.557 1.00 0.00 H new ATOM 614 N GLY A 41 6.183 4.725 4.027 1.00 0.00 N ATOM 615 CA GLY A 41 7.442 4.117 4.420 1.00 0.00 C ATOM 616 C GLY A 41 7.913 3.074 3.426 1.00 0.00 C ATOM 617 O GLY A 41 7.528 3.101 2.258 1.00 0.00 O ATOM 0 H GLY A 41 6.184 5.150 3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.202 4.892 4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.329 3.656 5.401 1.00 0.00 H new ATOM 621 N CYS A 42 8.750 2.152 3.891 1.00 0.00 N ATOM 622 CA CYS A 42 9.274 1.094 3.035 1.00 0.00 C ATOM 623 C CYS A 42 9.788 -0.079 3.870 1.00 0.00 C ATOM 624 O CYS A 42 10.965 -0.434 3.800 1.00 0.00 O ATOM 625 CB CYS A 42 10.393 1.637 2.141 1.00 0.00 C ATOM 626 SG CYS A 42 11.094 0.399 1.002 1.00 0.00 S ATOM 0 H CYS A 42 9.080 2.116 4.856 1.00 0.00 H new ATOM 0 HA CYS A 42 8.461 0.735 2.404 1.00 0.00 H new ATOM 0 HB2 CYS A 42 10.006 2.474 1.559 1.00 0.00 H new ATOM 0 HB3 CYS A 42 11.191 2.029 2.772 1.00 0.00 H new ATOM 631 N PRO A 43 8.906 -0.696 4.676 1.00 0.00 N ATOM 632 CA PRO A 43 9.272 -1.829 5.526 1.00 0.00 C ATOM 633 C PRO A 43 9.324 -3.143 4.752 1.00 0.00 C ATOM 634 O PRO A 43 9.289 -3.152 3.522 1.00 0.00 O ATOM 635 CB PRO A 43 8.146 -1.858 6.555 1.00 0.00 C ATOM 636 CG PRO A 43 6.959 -1.337 5.820 1.00 0.00 C ATOM 637 CD PRO A 43 7.483 -0.333 4.825 1.00 0.00 C ATOM 0 HA PRO A 43 10.267 -1.719 5.957 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.972 -2.868 6.925 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.382 -1.238 7.420 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.429 -2.145 5.315 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.251 -0.871 6.506 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.952 -0.396 3.875 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.366 0.688 5.188 1.00 0.00 H new ATOM 645 N LYS A 44 9.406 -4.251 5.483 1.00 0.00 N ATOM 646 CA LYS A 44 9.460 -5.572 4.866 1.00 0.00 C ATOM 647 C LYS A 44 8.133 -6.304 5.032 1.00 0.00 C ATOM 648 O LYS A 44 7.215 -5.805 5.684 1.00 0.00 O ATOM 649 CB LYS A 44 10.593 -6.398 5.479 1.00 0.00 C ATOM 650 CG LYS A 44 11.965 -6.058 4.922 1.00 0.00 C ATOM 651 CD LYS A 44 12.696 -5.062 5.809 1.00 0.00 C ATOM 652 CE LYS A 44 13.371 -3.975 4.986 1.00 0.00 C ATOM 653 NZ LYS A 44 14.450 -3.290 5.752 1.00 0.00 N ATOM 0 H LYS A 44 9.436 -4.260 6.503 1.00 0.00 H new ATOM 0 HA LYS A 44 9.651 -5.441 3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.600 -6.245 6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.393 -7.456 5.309 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.557 -6.968 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.859 -5.644 3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.991 -4.608 6.506 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.443 -5.585 6.406 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.790 -4.413 4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.627 -3.243 4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.886 -2.556 5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.046 -2.851 6.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.173 -3.984 6.030 1.00 0.00 H new ATOM 667 N VAL A 45 8.037 -7.490 4.440 1.00 0.00 N ATOM 668 CA VAL A 45 6.820 -8.289 4.524 1.00 0.00 C ATOM 669 C VAL A 45 7.141 -9.762 4.753 1.00 0.00 C ATOM 670 O VAL A 45 8.241 -10.223 4.446 1.00 0.00 O ATOM 671 CB VAL A 45 5.968 -8.156 3.246 1.00 0.00 C ATOM 672 CG1 VAL A 45 5.215 -6.834 3.238 1.00 0.00 C ATOM 673 CG2 VAL A 45 6.840 -8.293 2.007 1.00 0.00 C ATOM 0 H VAL A 45 8.787 -7.919 3.897 1.00 0.00 H new ATOM 0 HA VAL A 45 6.253 -7.907 5.373 1.00 0.00 H new ATOM 0 HB VAL A 45 5.234 -8.962 3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.620 -6.760 2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.558 -6.784 4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.927 -6.009 3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.222 -8.197 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.600 -7.511 2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.324 -9.270 2.009 1.00 0.00 H new ATOM 683 N LYS A 46 6.175 -10.494 5.296 1.00 0.00 N ATOM 684 CA LYS A 46 6.350 -11.910 5.569 1.00 0.00 C ATOM 685 C LYS A 46 6.164 -12.738 4.299 1.00 0.00 C ATOM 686 O LYS A 46 5.243 -12.492 3.521 1.00 0.00 O ATOM 687 CB LYS A 46 5.384 -12.397 6.656 1.00 0.00 C ATOM 688 CG LYS A 46 4.074 -11.631 6.714 1.00 0.00 C ATOM 689 CD LYS A 46 3.102 -12.261 7.698 1.00 0.00 C ATOM 690 CE LYS A 46 1.702 -11.688 7.540 1.00 0.00 C ATOM 691 NZ LYS A 46 0.935 -11.733 8.816 1.00 0.00 N ATOM 0 H LYS A 46 5.260 -10.126 5.556 1.00 0.00 H new ATOM 0 HA LYS A 46 7.369 -12.045 5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.168 -13.452 6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.878 -12.323 7.625 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.268 -10.598 7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.623 -11.604 5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.075 -13.340 7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.453 -12.093 8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.769 -10.657 7.193 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.165 -12.248 6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.013 -11.333 8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.849 -12.719 9.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.433 -11.178 9.540 1.00 0.00 H new ATOM 705 N PRO A 47 7.048 -13.729 4.070 1.00 0.00 N ATOM 706 CA PRO A 47 6.998 -14.594 2.898 1.00 0.00 C ATOM 707 C PRO A 47 5.572 -14.918 2.460 1.00 0.00 C ATOM 708 O PRO A 47 4.731 -15.293 3.278 1.00 0.00 O ATOM 709 CB PRO A 47 7.709 -15.860 3.371 1.00 0.00 C ATOM 710 CG PRO A 47 8.548 -15.477 4.539 1.00 0.00 C ATOM 711 CD PRO A 47 8.179 -14.075 4.936 1.00 0.00 C ATOM 0 HA PRO A 47 7.455 -14.123 2.028 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.986 -16.627 3.650 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.325 -16.277 2.574 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.382 -16.164 5.369 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.606 -15.535 4.284 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.903 -14.021 5.989 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.014 -13.389 4.790 1.00 0.00 H new ATOM 719 N GLY A 48 5.308 -14.769 1.166 1.00 0.00 N ATOM 720 CA GLY A 48 3.985 -15.048 0.642 1.00 0.00 C ATOM 721 C GLY A 48 3.245 -13.787 0.240 1.00 0.00 C ATOM 722 O GLY A 48 2.403 -13.811 -0.657 1.00 0.00 O ATOM 0 H GLY A 48 5.988 -14.460 0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.071 -15.707 -0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.405 -15.583 1.394 1.00 0.00 H new ATOM 726 N VAL A 49 3.563 -12.681 0.906 1.00 0.00 N ATOM 727 CA VAL A 49 2.925 -11.403 0.616 1.00 0.00 C ATOM 728 C VAL A 49 3.845 -10.507 -0.208 1.00 0.00 C ATOM 729 O VAL A 49 5.006 -10.302 0.144 1.00 0.00 O ATOM 730 CB VAL A 49 2.532 -10.667 1.910 1.00 0.00 C ATOM 731 CG1 VAL A 49 1.741 -9.404 1.591 1.00 0.00 C ATOM 732 CG2 VAL A 49 1.737 -11.587 2.825 1.00 0.00 C ATOM 0 H VAL A 49 4.259 -12.645 1.651 1.00 0.00 H new ATOM 0 HA VAL A 49 2.023 -11.619 0.043 1.00 0.00 H new ATOM 0 HB VAL A 49 3.444 -10.373 2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.473 -8.899 2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.349 -8.739 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.834 -9.670 1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.467 -11.051 3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.831 -11.914 2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.342 -12.456 3.082 1.00 0.00 H new ATOM 742 N ASN A 50 3.318 -9.977 -1.307 1.00 0.00 N ATOM 743 CA ASN A 50 4.094 -9.103 -2.181 1.00 0.00 C ATOM 744 C ASN A 50 4.036 -7.659 -1.693 1.00 0.00 C ATOM 745 O ASN A 50 3.049 -7.234 -1.092 1.00 0.00 O ATOM 746 CB ASN A 50 3.579 -9.180 -3.621 1.00 0.00 C ATOM 747 CG ASN A 50 3.031 -10.550 -3.978 1.00 0.00 C ATOM 748 OD1 ASN A 50 3.787 -11.494 -4.206 1.00 0.00 O ATOM 749 ND2 ASN A 50 1.709 -10.663 -4.029 1.00 0.00 N ATOM 0 H ASN A 50 2.358 -10.137 -1.614 1.00 0.00 H new ATOM 0 HA ASN A 50 5.129 -9.443 -2.156 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.798 -8.433 -3.763 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.389 -8.928 -4.306 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.282 -11.559 -4.265 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.120 -9.854 -3.833 1.00 0.00 H new ATOM 756 N LEU A 51 5.101 -6.911 -1.954 1.00 0.00 N ATOM 757 CA LEU A 51 5.179 -5.519 -1.544 1.00 0.00 C ATOM 758 C LEU A 51 6.233 -4.773 -2.357 1.00 0.00 C ATOM 759 O LEU A 51 7.245 -5.351 -2.752 1.00 0.00 O ATOM 760 CB LEU A 51 5.510 -5.433 -0.054 1.00 0.00 C ATOM 761 CG LEU A 51 5.780 -4.027 0.473 1.00 0.00 C ATOM 762 CD1 LEU A 51 4.471 -3.310 0.759 1.00 0.00 C ATOM 763 CD2 LEU A 51 6.645 -4.092 1.720 1.00 0.00 C ATOM 0 H LEU A 51 5.925 -7.250 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 51 4.211 -5.051 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.682 -5.862 0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.385 -6.052 0.143 1.00 0.00 H new ATOM 0 HG LEU A 51 6.318 -3.462 -0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.679 -2.308 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.887 -3.240 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.907 -3.867 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.831 -3.083 2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.132 -4.669 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.594 -4.571 1.480 1.00 0.00 H new ATOM 775 N ASN A 52 5.993 -3.488 -2.600 1.00 0.00 N ATOM 776 CA ASN A 52 6.935 -2.673 -3.364 1.00 0.00 C ATOM 777 C ASN A 52 6.836 -1.197 -2.978 1.00 0.00 C ATOM 778 O ASN A 52 5.760 -0.602 -3.029 1.00 0.00 O ATOM 779 CB ASN A 52 6.698 -2.858 -4.871 1.00 0.00 C ATOM 780 CG ASN A 52 5.681 -1.889 -5.448 1.00 0.00 C ATOM 781 OD1 ASN A 52 5.963 -1.181 -6.415 1.00 0.00 O ATOM 782 ND2 ASN A 52 4.491 -1.850 -4.859 1.00 0.00 N ATOM 0 H ASN A 52 5.161 -2.990 -2.282 1.00 0.00 H new ATOM 0 HA ASN A 52 7.944 -3.009 -3.124 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.645 -2.735 -5.397 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.361 -3.878 -5.055 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.771 -1.217 -5.206 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.298 -2.453 -4.060 1.00 0.00 H new ATOM 789 N CYS A 53 7.968 -0.611 -2.592 1.00 0.00 N ATOM 790 CA CYS A 53 8.010 0.787 -2.200 1.00 0.00 C ATOM 791 C CYS A 53 8.115 1.694 -3.422 1.00 0.00 C ATOM 792 O CYS A 53 8.572 1.273 -4.485 1.00 0.00 O ATOM 793 CB CYS A 53 9.196 1.039 -1.272 1.00 0.00 C ATOM 794 SG CYS A 53 9.481 -0.268 -0.034 1.00 0.00 S ATOM 0 H CYS A 53 8.868 -1.089 -2.544 1.00 0.00 H new ATOM 0 HA CYS A 53 7.083 1.017 -1.674 1.00 0.00 H new ATOM 0 HB2 CYS A 53 10.096 1.151 -1.876 1.00 0.00 H new ATOM 0 HB3 CYS A 53 9.040 1.985 -0.753 1.00 0.00 H new ATOM 799 N CYS A 54 7.692 2.944 -3.260 1.00 0.00 N ATOM 800 CA CYS A 54 7.741 3.916 -4.346 1.00 0.00 C ATOM 801 C CYS A 54 7.671 5.328 -3.817 1.00 0.00 C ATOM 802 O CYS A 54 7.170 5.584 -2.723 1.00 0.00 O ATOM 803 CB CYS A 54 6.617 3.677 -5.353 1.00 0.00 C ATOM 804 SG CYS A 54 5.034 3.176 -4.602 1.00 0.00 S ATOM 0 H CYS A 54 7.311 3.307 -2.386 1.00 0.00 H new ATOM 0 HA CYS A 54 8.695 3.784 -4.856 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.460 4.589 -5.929 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.932 2.906 -6.056 1.00 0.00 H new ATOM 809 N ARG A 55 8.214 6.232 -4.605 1.00 0.00 N ATOM 810 CA ARG A 55 8.271 7.627 -4.250 1.00 0.00 C ATOM 811 C ARG A 55 7.509 8.484 -5.257 1.00 0.00 C ATOM 812 O ARG A 55 7.912 9.606 -5.562 1.00 0.00 O ATOM 813 CB ARG A 55 9.734 8.051 -4.183 1.00 0.00 C ATOM 814 CG ARG A 55 10.725 6.921 -4.424 1.00 0.00 C ATOM 815 CD ARG A 55 12.158 7.414 -4.345 1.00 0.00 C ATOM 816 NE ARG A 55 12.523 8.185 -5.525 1.00 0.00 N ATOM 817 CZ ARG A 55 13.717 8.748 -5.706 1.00 0.00 C ATOM 818 NH1 ARG A 55 14.662 8.628 -4.781 1.00 0.00 N ATOM 819 NH2 ARG A 55 13.966 9.431 -6.815 1.00 0.00 N ATOM 0 H ARG A 55 8.628 6.015 -5.512 1.00 0.00 H new ATOM 0 HA ARG A 55 7.797 7.772 -3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.907 8.834 -4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.929 8.487 -3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.568 6.134 -3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.544 6.479 -5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.284 8.029 -3.454 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.831 6.563 -4.242 1.00 0.00 H new ATOM 0 HE ARG A 55 11.822 8.301 -6.257 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.476 8.103 -3.927 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.574 9.061 -4.925 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.244 9.525 -7.529 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.880 9.862 -6.954 1.00 0.00 H new ATOM 833 N THR A 56 6.404 7.949 -5.768 1.00 0.00 N ATOM 834 CA THR A 56 5.587 8.666 -6.740 1.00 0.00 C ATOM 835 C THR A 56 4.171 8.872 -6.210 1.00 0.00 C ATOM 836 O THR A 56 3.660 8.057 -5.441 1.00 0.00 O ATOM 837 CB THR A 56 5.542 7.905 -8.066 1.00 0.00 C ATOM 838 OG1 THR A 56 6.602 6.967 -8.142 1.00 0.00 O ATOM 839 CG2 THR A 56 5.639 8.806 -9.278 1.00 0.00 C ATOM 0 H THR A 56 6.054 7.022 -5.525 1.00 0.00 H new ATOM 0 HA THR A 56 6.041 9.643 -6.908 1.00 0.00 H new ATOM 0 HB THR A 56 4.572 7.408 -8.080 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.555 6.489 -8.996 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.601 8.202 -10.184 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.807 9.510 -9.276 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.579 9.356 -9.248 1.00 0.00 H new ATOM 847 N ASP A 57 3.541 9.967 -6.625 1.00 0.00 N ATOM 848 CA ASP A 57 2.184 10.278 -6.191 1.00 0.00 C ATOM 849 C ASP A 57 1.211 9.188 -6.632 1.00 0.00 C ATOM 850 O ASP A 57 1.132 8.854 -7.813 1.00 0.00 O ATOM 851 CB ASP A 57 1.745 11.631 -6.753 1.00 0.00 C ATOM 852 CG ASP A 57 0.358 12.029 -6.286 1.00 0.00 C ATOM 853 OD1 ASP A 57 0.251 12.658 -5.213 1.00 0.00 O ATOM 854 OD2 ASP A 57 -0.620 11.712 -6.994 1.00 0.00 O ATOM 0 H ASP A 57 3.948 10.653 -7.261 1.00 0.00 H new ATOM 0 HA ASP A 57 2.177 10.327 -5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.460 12.396 -6.451 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.761 11.591 -7.842 1.00 0.00 H new ATOM 859 N ARG A 58 0.473 8.639 -5.673 1.00 0.00 N ATOM 860 CA ARG A 58 -0.495 7.585 -5.960 1.00 0.00 C ATOM 861 C ARG A 58 0.183 6.386 -6.617 1.00 0.00 C ATOM 862 O ARG A 58 -0.439 5.648 -7.380 1.00 0.00 O ATOM 863 CB ARG A 58 -1.606 8.116 -6.866 1.00 0.00 C ATOM 864 CG ARG A 58 -2.471 9.177 -6.204 1.00 0.00 C ATOM 865 CD ARG A 58 -3.698 9.500 -7.041 1.00 0.00 C ATOM 866 NE ARG A 58 -4.702 10.236 -6.277 1.00 0.00 N ATOM 867 CZ ARG A 58 -5.984 10.324 -6.626 1.00 0.00 C ATOM 868 NH1 ARG A 58 -6.421 9.724 -7.727 1.00 0.00 N ATOM 869 NH2 ARG A 58 -6.831 11.011 -5.873 1.00 0.00 N ATOM 0 H ARG A 58 0.526 8.906 -4.690 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.930 7.260 -5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.160 8.533 -7.769 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.239 7.285 -7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.783 8.830 -5.219 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.884 10.083 -6.052 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.400 10.088 -7.909 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.135 8.575 -7.417 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.403 10.711 -5.425 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.774 9.193 -8.309 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.404 9.794 -7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.501 11.473 -5.026 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.813 11.078 -6.141 1.00 0.00 H new ATOM 883 N CYS A 59 1.464 6.201 -6.314 1.00 0.00 N ATOM 884 CA CYS A 59 2.232 5.099 -6.868 1.00 0.00 C ATOM 885 C CYS A 59 1.642 3.755 -6.449 1.00 0.00 C ATOM 886 O CYS A 59 1.693 2.782 -7.201 1.00 0.00 O ATOM 887 CB CYS A 59 3.686 5.201 -6.409 1.00 0.00 C ATOM 888 SG CYS A 59 3.932 4.879 -4.632 1.00 0.00 S ATOM 0 H CYS A 59 1.992 6.805 -5.684 1.00 0.00 H new ATOM 0 HA CYS A 59 2.191 5.162 -7.955 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.287 4.494 -6.982 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.060 6.198 -6.641 1.00 0.00 H new ATOM 893 N ASN A 60 1.087 3.710 -5.243 1.00 0.00 N ATOM 894 CA ASN A 60 0.490 2.487 -4.720 1.00 0.00 C ATOM 895 C ASN A 60 -1.021 2.475 -4.940 1.00 0.00 C ATOM 896 O ASN A 60 -1.755 1.800 -4.219 1.00 0.00 O ATOM 897 CB ASN A 60 0.800 2.345 -3.229 1.00 0.00 C ATOM 898 CG ASN A 60 0.453 3.598 -2.446 1.00 0.00 C ATOM 899 OD1 ASN A 60 -0.473 4.327 -2.798 1.00 0.00 O ATOM 900 ND2 ASN A 60 1.199 3.852 -1.378 1.00 0.00 N ATOM 0 H ASN A 60 1.038 4.507 -4.609 1.00 0.00 H new ATOM 0 HA ASN A 60 0.921 1.644 -5.259 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.243 1.500 -2.823 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.859 2.120 -3.100 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.014 4.680 -0.812 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.957 3.219 -1.123 1.00 0.00 H new ATOM 907 N ASN A 61 -1.477 3.224 -5.938 1.00 0.00 N ATOM 908 CA ASN A 61 -2.895 3.299 -6.250 1.00 0.00 C ATOM 909 C ASN A 61 -3.435 1.935 -6.673 1.00 0.00 C ATOM 910 O ASN A 61 -4.659 1.829 -6.902 1.00 0.00 O ATOM 911 CB ASN A 61 -3.127 4.324 -7.359 1.00 0.00 C ATOM 912 CG ASN A 61 -2.478 3.921 -8.669 1.00 0.00 C ATOM 913 OD1 ASN A 61 -1.264 3.732 -8.742 1.00 0.00 O ATOM 914 ND2 ASN A 61 -3.287 3.788 -9.714 1.00 0.00 N ATOM 915 OXT ASN A 61 -2.630 0.986 -6.772 1.00 0.00 O ATOM 0 H ASN A 61 -0.882 3.788 -6.545 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.430 3.611 -5.353 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.199 4.452 -7.513 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.733 5.290 -7.044 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.907 3.519 -10.622 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.288 3.954 -9.609 1.00 0.00 H new TER 922 ASN A 61