USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 388 hydrogens (5 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 41 THR OG1 : rot -125:sc= 0.306 USER MOD Set 1.2: A 49 THR OG1 : rot -6:sc= 0.0722 USER MOD Single : A 1 PCA N :NH3+ 180:sc= -0.101 (180deg=-0.101) USER MOD Single : A 2 ASN : amide:sc= -0.0782 K(o=-0.078,f=-1.4) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0569 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.688 K(o=0.69,f=-4.6!) USER MOD Single : A 21 HIS : no HD1:sc= -0.191 K(o=-0.19,f=-0.79) USER MOD Single : A 24 SER OG : rot 106:sc= 0.0283 USER MOD Single : A 26 HIS : no HE2:sc= 0.204 K(o=0.2,f=-3.7!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.406 K(o=0.41,f=-7.4!) USER MOD Single : A 39 GLN : amide:sc= -1.17 X(o=-1.2,f=-0.76) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -17.250 -1.887 -0.303 1.00 0.00 N HETATM 2 CA PCA A 1 -16.712 -1.549 -1.606 1.00 0.00 C HETATM 3 CB PCA A 1 -17.957 -1.222 -2.438 1.00 0.00 C HETATM 4 CG PCA A 1 -19.025 -2.113 -1.793 1.00 0.00 C HETATM 5 CD PCA A 1 -18.529 -2.244 -0.366 1.00 0.00 C HETATM 6 OE PCA A 1 -19.226 -2.626 0.574 1.00 0.00 O HETATM 7 C PCA A 1 -15.729 -0.381 -1.556 1.00 0.00 C HETATM 8 O PCA A 1 -15.162 -0.009 -2.581 1.00 0.00 O HETATM 0 H2 PCA A 1 -17.910 -2.685 -0.396 1.00 0.00 H new HETATM 0 HA PCA A 1 -16.123 -2.362 -2.030 1.00 0.00 H new HETATM 0 HB2 PCA A 1 -18.219 -0.166 -2.379 1.00 0.00 H new HETATM 0 HB3 PCA A 1 -17.814 -1.457 -3.493 1.00 0.00 H new HETATM 0 HG2 PCA A 1 -20.014 -1.657 -1.838 1.00 0.00 H new HETATM 0 HG3 PCA A 1 -19.097 -3.082 -2.288 1.00 0.00 H new ATOM 14 N ASN A 2 -15.526 0.195 -0.364 1.00 0.00 N ATOM 15 CA ASN A 2 -14.609 1.305 -0.164 1.00 0.00 C ATOM 16 C ASN A 2 -13.160 0.815 -0.048 1.00 0.00 C ATOM 17 O ASN A 2 -12.249 1.598 0.226 1.00 0.00 O ATOM 18 CB ASN A 2 -15.049 2.090 1.077 1.00 0.00 C ATOM 19 CG ASN A 2 -14.373 3.453 1.191 1.00 0.00 C ATOM 20 OD1 ASN A 2 -13.842 3.986 0.221 1.00 0.00 O ATOM 21 ND2 ASN A 2 -14.394 4.028 2.390 1.00 0.00 N ATOM 0 H ASN A 2 -16.000 -0.104 0.488 1.00 0.00 H new ATOM 0 HA ASN A 2 -14.640 1.966 -1.030 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -16.130 2.228 1.048 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -14.826 1.504 1.969 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -13.960 4.941 2.525 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -14.844 3.556 3.174 1.00 0.00 H new ATOM 28 N CYS A 3 -12.937 -0.487 -0.258 1.00 0.00 N ATOM 29 CA CYS A 3 -11.617 -1.093 -0.172 1.00 0.00 C ATOM 30 C CYS A 3 -11.526 -2.294 -1.119 1.00 0.00 C ATOM 31 O CYS A 3 -11.742 -3.432 -0.704 1.00 0.00 O ATOM 32 CB CYS A 3 -11.341 -1.504 1.276 1.00 0.00 C ATOM 33 SG CYS A 3 -12.652 -2.447 2.094 1.00 0.00 S ATOM 0 H CYS A 3 -13.677 -1.149 -0.494 1.00 0.00 H new ATOM 0 HA CYS A 3 -10.859 -0.371 -0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.427 -2.097 1.297 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -11.150 -0.603 1.859 1.00 0.00 H new ATOM 38 N PRO A 4 -11.205 -2.045 -2.397 1.00 0.00 N ATOM 39 CA PRO A 4 -11.055 -3.074 -3.408 1.00 0.00 C ATOM 40 C PRO A 4 -9.756 -3.851 -3.208 1.00 0.00 C ATOM 41 O PRO A 4 -8.940 -3.509 -2.350 1.00 0.00 O ATOM 42 CB PRO A 4 -11.053 -2.314 -4.737 1.00 0.00 C ATOM 43 CG PRO A 4 -10.425 -0.975 -4.363 1.00 0.00 C ATOM 44 CD PRO A 4 -10.959 -0.727 -2.953 1.00 0.00 C ATOM 0 HA PRO A 4 -11.852 -3.816 -3.365 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.472 -2.834 -5.499 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.061 -2.191 -5.133 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.336 -1.021 -4.380 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -10.721 -0.184 -5.052 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.237 -0.175 -2.351 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.873 -0.134 -2.978 1.00 0.00 H new ATOM 52 N THR A 5 -9.560 -4.907 -4.007 1.00 0.00 N ATOM 53 CA THR A 5 -8.366 -5.738 -3.931 1.00 0.00 C ATOM 54 C THR A 5 -7.578 -5.629 -5.230 1.00 0.00 C ATOM 55 O THR A 5 -8.102 -5.935 -6.296 1.00 0.00 O ATOM 56 CB THR A 5 -8.744 -7.195 -3.659 1.00 0.00 C ATOM 57 OG1 THR A 5 -9.635 -7.271 -2.568 1.00 0.00 O ATOM 58 CG2 THR A 5 -7.500 -8.014 -3.330 1.00 0.00 C ATOM 0 H THR A 5 -10.226 -5.204 -4.720 1.00 0.00 H new ATOM 0 HA THR A 5 -7.744 -5.386 -3.108 1.00 0.00 H new ATOM 0 HB THR A 5 -9.220 -7.594 -4.555 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.872 -8.208 -2.404 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.785 -9.048 -3.139 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.808 -7.978 -4.171 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.017 -7.602 -2.444 1.00 0.00 H new ATOM 66 N ARG A 6 -6.317 -5.195 -5.142 1.00 0.00 N ATOM 67 CA ARG A 6 -5.411 -5.102 -6.281 1.00 0.00 C ATOM 68 C ARG A 6 -4.005 -5.480 -5.835 1.00 0.00 C ATOM 69 O ARG A 6 -3.580 -5.084 -4.753 1.00 0.00 O ATOM 70 CB ARG A 6 -5.408 -3.671 -6.819 1.00 0.00 C ATOM 71 CG ARG A 6 -6.749 -3.212 -7.389 1.00 0.00 C ATOM 72 CD ARG A 6 -7.105 -3.990 -8.655 1.00 0.00 C ATOM 73 NE ARG A 6 -8.295 -3.432 -9.306 1.00 0.00 N ATOM 74 CZ ARG A 6 -9.554 -3.785 -9.034 1.00 0.00 C ATOM 75 NH1 ARG A 6 -9.829 -4.705 -8.116 1.00 0.00 N ATOM 76 NH2 ARG A 6 -10.557 -3.210 -9.692 1.00 0.00 N ATOM 0 H ARG A 6 -5.895 -4.895 -4.263 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.742 -5.781 -7.067 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.117 -2.994 -6.016 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.649 -3.589 -7.597 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.531 -3.349 -6.642 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.706 -2.146 -7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.264 -3.966 -9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.282 -5.036 -8.404 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.150 -2.720 -10.021 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.071 -5.156 -7.603 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.798 -4.960 -7.924 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.363 -2.503 -10.401 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.520 -3.476 -9.488 1.00 0.00 H new ATOM 90 N ARG A 7 -3.285 -6.243 -6.663 1.00 0.00 N ATOM 91 CA ARG A 7 -1.920 -6.670 -6.357 1.00 0.00 C ATOM 92 C ARG A 7 -1.017 -6.601 -7.588 1.00 0.00 C ATOM 93 O ARG A 7 0.204 -6.634 -7.447 1.00 0.00 O ATOM 94 CB ARG A 7 -1.952 -8.106 -5.828 1.00 0.00 C ATOM 95 CG ARG A 7 -2.681 -8.218 -4.485 1.00 0.00 C ATOM 96 CD ARG A 7 -1.950 -7.428 -3.397 1.00 0.00 C ATOM 97 NE ARG A 7 -2.551 -7.677 -2.081 1.00 0.00 N ATOM 98 CZ ARG A 7 -3.443 -6.884 -1.479 1.00 0.00 C ATOM 99 NH1 ARG A 7 -3.875 -5.763 -2.055 1.00 0.00 N ATOM 100 NH2 ARG A 7 -3.914 -7.218 -0.280 1.00 0.00 N ATOM 0 H ARG A 7 -3.632 -6.580 -7.561 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.512 -5.995 -5.605 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.442 -8.749 -6.559 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.931 -8.472 -5.716 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.700 -7.845 -4.588 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.753 -9.266 -4.193 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.897 -7.711 -3.381 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.991 -6.363 -3.625 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.265 -8.522 -1.587 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.525 -5.494 -2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.556 -5.173 -1.577 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.594 -8.074 0.173 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.595 -6.618 0.186 1.00 0.00 H new ATOM 114 N GLY A 8 -1.602 -6.506 -8.787 1.00 0.00 N ATOM 115 CA GLY A 8 -0.863 -6.465 -10.045 1.00 0.00 C ATOM 116 C GLY A 8 -0.511 -5.040 -10.470 1.00 0.00 C ATOM 117 O GLY A 8 -0.083 -4.821 -11.600 1.00 0.00 O ATOM 0 H GLY A 8 -2.614 -6.455 -8.908 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.053 -7.047 -9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.457 -6.938 -10.827 1.00 0.00 H new ATOM 121 N LEU A 9 -0.692 -4.064 -9.572 1.00 0.00 N ATOM 122 CA LEU A 9 -0.511 -2.652 -9.885 1.00 0.00 C ATOM 123 C LEU A 9 0.895 -2.345 -10.397 1.00 0.00 C ATOM 124 O LEU A 9 1.080 -1.389 -11.145 1.00 0.00 O ATOM 125 CB LEU A 9 -0.791 -1.837 -8.619 1.00 0.00 C ATOM 126 CG LEU A 9 -2.241 -1.983 -8.154 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.393 -1.350 -6.775 1.00 0.00 C ATOM 128 CD2 LEU A 9 -3.198 -1.278 -9.110 1.00 0.00 C ATOM 0 H LEU A 9 -0.969 -4.238 -8.606 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.204 -2.386 -10.683 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.120 -2.161 -7.823 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.575 -0.786 -8.809 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.482 -3.046 -8.125 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.425 -1.452 -6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.731 -1.852 -6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.132 -0.293 -6.829 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.221 -1.398 -8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.952 -0.217 -9.155 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.106 -1.714 -10.105 1.00 0.00 H new ATOM 140 N CYS A 10 1.892 -3.145 -10.003 1.00 0.00 N ATOM 141 CA CYS A 10 3.274 -2.927 -10.395 1.00 0.00 C ATOM 142 C CYS A 10 3.515 -3.330 -11.851 1.00 0.00 C ATOM 143 O CYS A 10 4.603 -3.106 -12.378 1.00 0.00 O ATOM 144 CB CYS A 10 4.180 -3.693 -9.429 1.00 0.00 C ATOM 145 SG CYS A 10 5.964 -3.524 -9.730 1.00 0.00 S ATOM 0 H CYS A 10 1.756 -3.959 -9.404 1.00 0.00 H new ATOM 0 HA CYS A 10 3.508 -1.864 -10.336 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.967 -3.357 -8.414 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.920 -4.750 -9.475 1.00 0.00 H new ATOM 150 N VAL A 11 2.513 -3.923 -12.510 1.00 0.00 N ATOM 151 CA VAL A 11 2.644 -4.382 -13.890 1.00 0.00 C ATOM 152 C VAL A 11 1.617 -3.706 -14.801 1.00 0.00 C ATOM 153 O VAL A 11 1.827 -3.631 -16.010 1.00 0.00 O ATOM 154 CB VAL A 11 2.484 -5.908 -13.927 1.00 0.00 C ATOM 155 CG1 VAL A 11 2.719 -6.456 -15.334 1.00 0.00 C ATOM 156 CG2 VAL A 11 3.493 -6.574 -12.994 1.00 0.00 C ATOM 0 H VAL A 11 1.595 -4.096 -12.101 1.00 0.00 H new ATOM 0 HA VAL A 11 3.632 -4.110 -14.262 1.00 0.00 H new ATOM 0 HB VAL A 11 1.465 -6.129 -13.610 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.599 -7.539 -15.327 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.997 -6.015 -16.022 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.729 -6.205 -15.658 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.365 -7.656 -13.033 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.504 -6.316 -13.308 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.330 -6.226 -11.974 1.00 0.00 H new ATOM 166 N THR A 12 0.511 -3.212 -14.237 1.00 0.00 N ATOM 167 CA THR A 12 -0.552 -2.601 -15.032 1.00 0.00 C ATOM 168 C THR A 12 -0.468 -1.075 -15.045 1.00 0.00 C ATOM 169 O THR A 12 -1.021 -0.451 -15.952 1.00 0.00 O ATOM 170 CB THR A 12 -1.916 -3.046 -14.502 1.00 0.00 C ATOM 171 OG1 THR A 12 -2.034 -2.688 -13.142 1.00 0.00 O ATOM 172 CG2 THR A 12 -2.084 -4.559 -14.635 1.00 0.00 C ATOM 0 H THR A 12 0.331 -3.224 -13.233 1.00 0.00 H new ATOM 0 HA THR A 12 -0.424 -2.938 -16.061 1.00 0.00 H new ATOM 0 HB THR A 12 -2.690 -2.552 -15.090 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.909 -2.972 -12.804 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.061 -4.852 -14.252 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.006 -4.843 -15.684 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.304 -5.063 -14.064 1.00 0.00 H new ATOM 180 N SER A 13 0.209 -0.474 -14.061 1.00 0.00 N ATOM 181 CA SER A 13 0.328 0.972 -13.964 1.00 0.00 C ATOM 182 C SER A 13 1.683 1.423 -13.415 1.00 0.00 C ATOM 183 O SER A 13 2.094 2.557 -13.657 1.00 0.00 O ATOM 184 CB SER A 13 -0.766 1.465 -13.023 1.00 0.00 C ATOM 185 OG SER A 13 -2.029 1.427 -13.657 1.00 0.00 O ATOM 0 H SER A 13 0.686 -0.980 -13.315 1.00 0.00 H new ATOM 0 HA SER A 13 0.233 1.387 -14.967 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.786 0.846 -12.126 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.545 2.483 -12.703 1.00 0.00 H new ATOM 0 HG SER A 13 -2.717 1.746 -13.036 1.00 0.00 H new ATOM 191 N GLY A 14 2.375 0.548 -12.683 1.00 0.00 N ATOM 192 CA GLY A 14 3.683 0.840 -12.115 1.00 0.00 C ATOM 193 C GLY A 14 3.595 1.078 -10.611 1.00 0.00 C ATOM 194 O GLY A 14 2.519 1.017 -10.021 1.00 0.00 O ATOM 0 H GLY A 14 2.036 -0.390 -12.469 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.362 0.011 -12.315 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.104 1.720 -12.600 1.00 0.00 H new ATOM 198 N LEU A 15 4.743 1.349 -9.984 1.00 0.00 N ATOM 199 CA LEU A 15 4.843 1.521 -8.540 1.00 0.00 C ATOM 200 C LEU A 15 3.988 2.689 -8.047 1.00 0.00 C ATOM 201 O LEU A 15 3.537 2.680 -6.901 1.00 0.00 O ATOM 202 CB LEU A 15 6.321 1.743 -8.195 1.00 0.00 C ATOM 203 CG LEU A 15 6.547 2.061 -6.714 1.00 0.00 C ATOM 204 CD1 LEU A 15 6.061 0.931 -5.803 1.00 0.00 C ATOM 205 CD2 LEU A 15 8.036 2.276 -6.471 1.00 0.00 C ATOM 0 H LEU A 15 5.633 1.455 -10.471 1.00 0.00 H new ATOM 0 HA LEU A 15 4.464 0.630 -8.040 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.889 0.851 -8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.711 2.561 -8.801 1.00 0.00 H new ATOM 0 HG LEU A 15 5.976 2.959 -6.477 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.241 1.200 -4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.994 0.773 -5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.602 0.015 -6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.204 2.503 -5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.583 1.372 -6.739 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.388 3.107 -7.082 1.00 0.00 H new ATOM 217 N THR A 16 3.753 3.694 -8.890 1.00 0.00 N ATOM 218 CA THR A 16 2.968 4.862 -8.501 1.00 0.00 C ATOM 219 C THR A 16 1.534 4.465 -8.164 1.00 0.00 C ATOM 220 O THR A 16 0.924 5.063 -7.281 1.00 0.00 O ATOM 221 CB THR A 16 2.982 5.890 -9.634 1.00 0.00 C ATOM 222 OG1 THR A 16 4.314 6.140 -10.028 1.00 0.00 O ATOM 223 CG2 THR A 16 2.354 7.205 -9.183 1.00 0.00 C ATOM 0 H THR A 16 4.097 3.721 -9.850 1.00 0.00 H new ATOM 0 HA THR A 16 3.414 5.302 -7.609 1.00 0.00 H new ATOM 0 HB THR A 16 2.407 5.486 -10.467 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.322 6.797 -10.755 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.376 7.920 -10.006 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.321 7.030 -8.881 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.916 7.606 -8.339 1.00 0.00 H new ATOM 231 N ALA A 17 0.982 3.460 -8.845 1.00 0.00 N ATOM 232 CA ALA A 17 -0.371 3.014 -8.564 1.00 0.00 C ATOM 233 C ALA A 17 -0.396 2.127 -7.326 1.00 0.00 C ATOM 234 O ALA A 17 -1.387 2.102 -6.599 1.00 0.00 O ATOM 235 CB ALA A 17 -0.914 2.275 -9.785 1.00 0.00 C ATOM 0 H ALA A 17 1.453 2.946 -9.590 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.006 3.876 -8.359 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.930 1.936 -9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.919 2.946 -10.644 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.281 1.414 -10.001 1.00 0.00 H new ATOM 241 N CYS A 18 0.697 1.402 -7.073 1.00 0.00 N ATOM 242 CA CYS A 18 0.819 0.571 -5.887 1.00 0.00 C ATOM 243 C CYS A 18 0.964 1.459 -4.653 1.00 0.00 C ATOM 244 O CYS A 18 0.526 1.091 -3.565 1.00 0.00 O ATOM 245 CB CYS A 18 2.032 -0.346 -6.065 1.00 0.00 C ATOM 246 SG CYS A 18 2.477 -1.324 -4.606 1.00 0.00 S ATOM 0 H CYS A 18 1.513 1.379 -7.684 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.071 -0.043 -5.749 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.835 -1.027 -6.893 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.890 0.263 -6.350 1.00 0.00 H new ATOM 251 N ARG A 19 1.575 2.637 -4.820 1.00 0.00 N ATOM 252 CA ARG A 19 1.752 3.582 -3.731 1.00 0.00 C ATOM 253 C ARG A 19 0.464 4.347 -3.459 1.00 0.00 C ATOM 254 O ARG A 19 0.217 4.760 -2.328 1.00 0.00 O ATOM 255 CB ARG A 19 2.892 4.532 -4.103 1.00 0.00 C ATOM 256 CG ARG A 19 3.461 5.206 -2.854 1.00 0.00 C ATOM 257 CD ARG A 19 4.578 6.172 -3.246 1.00 0.00 C ATOM 258 NE ARG A 19 5.203 6.751 -2.051 1.00 0.00 N ATOM 259 CZ ARG A 19 5.683 7.994 -1.969 1.00 0.00 C ATOM 260 NH1 ARG A 19 5.626 8.823 -3.013 1.00 0.00 N ATOM 261 NH2 ARG A 19 6.230 8.418 -0.832 1.00 0.00 N ATOM 0 H ARG A 19 1.956 2.954 -5.712 1.00 0.00 H new ATOM 0 HA ARG A 19 2.003 3.049 -2.814 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.680 3.980 -4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.529 5.289 -4.798 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.671 5.744 -2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.845 4.452 -2.167 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.328 5.648 -3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.175 6.967 -3.874 1.00 0.00 H new ATOM 0 HE ARG A 19 5.276 6.160 -1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.211 8.510 -3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.997 9.770 -2.933 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.281 7.794 -0.027 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.598 9.367 -0.766 1.00 0.00 H new ATOM 275 N ASN A 20 -0.360 4.534 -4.490 1.00 0.00 N ATOM 276 CA ASN A 20 -1.652 5.186 -4.338 1.00 0.00 C ATOM 277 C ASN A 20 -2.704 4.204 -3.826 1.00 0.00 C ATOM 278 O ASN A 20 -3.758 4.626 -3.351 1.00 0.00 O ATOM 279 CB ASN A 20 -2.068 5.791 -5.683 1.00 0.00 C ATOM 280 CG ASN A 20 -1.135 6.911 -6.120 1.00 0.00 C ATOM 281 OD1 ASN A 20 -0.321 7.400 -5.342 1.00 0.00 O ATOM 282 ND2 ASN A 20 -1.247 7.328 -7.376 1.00 0.00 N ATOM 0 H ASN A 20 -0.150 4.239 -5.444 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.569 5.982 -3.598 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.078 5.010 -6.444 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.085 6.176 -5.608 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.646 8.077 -7.720 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.934 6.900 -7.996 1.00 0.00 H new ATOM 289 N HIS A 21 -2.437 2.896 -3.912 1.00 0.00 N ATOM 290 CA HIS A 21 -3.341 1.876 -3.402 1.00 0.00 C ATOM 291 C HIS A 21 -3.066 1.590 -1.927 1.00 0.00 C ATOM 292 O HIS A 21 -3.986 1.292 -1.168 1.00 0.00 O ATOM 293 CB HIS A 21 -3.156 0.618 -4.245 1.00 0.00 C ATOM 294 CG HIS A 21 -4.060 -0.517 -3.842 1.00 0.00 C ATOM 295 ND1 HIS A 21 -5.409 -0.621 -4.091 1.00 0.00 N ATOM 296 CD2 HIS A 21 -3.685 -1.648 -3.166 1.00 0.00 C ATOM 297 CE1 HIS A 21 -5.832 -1.792 -3.587 1.00 0.00 C ATOM 298 NE2 HIS A 21 -4.816 -2.458 -3.013 1.00 0.00 N ATOM 0 H HIS A 21 -1.589 2.522 -4.337 1.00 0.00 H new ATOM 0 HA HIS A 21 -4.372 2.223 -3.472 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.338 0.862 -5.292 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.119 0.290 -4.170 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.690 -1.875 -2.813 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -6.850 -2.149 -3.636 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.860 -3.370 -2.558 1.00 0.00 H new ATOM 306 N CYS A 22 -1.800 1.680 -1.510 1.00 0.00 N ATOM 307 CA CYS A 22 -1.421 1.469 -0.120 1.00 0.00 C ATOM 308 C CYS A 22 -1.722 2.694 0.743 1.00 0.00 C ATOM 309 O CYS A 22 -1.930 2.550 1.945 1.00 0.00 O ATOM 310 CB CYS A 22 0.064 1.132 -0.055 1.00 0.00 C ATOM 311 SG CYS A 22 0.509 -0.487 -0.741 1.00 0.00 S ATOM 0 H CYS A 22 -1.017 1.900 -2.126 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.011 0.642 0.276 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.620 1.902 -0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.385 1.170 0.986 1.00 0.00 H new ATOM 316 N ARG A 23 -1.748 3.895 0.148 1.00 0.00 N ATOM 317 CA ARG A 23 -2.062 5.125 0.868 1.00 0.00 C ATOM 318 C ARG A 23 -3.569 5.378 0.903 1.00 0.00 C ATOM 319 O ARG A 23 -4.015 6.450 1.311 1.00 0.00 O ATOM 320 CB ARG A 23 -1.293 6.306 0.271 1.00 0.00 C ATOM 321 CG ARG A 23 0.208 6.138 0.526 1.00 0.00 C ATOM 322 CD ARG A 23 0.987 7.362 0.044 1.00 0.00 C ATOM 323 NE ARG A 23 0.865 7.549 -1.407 1.00 0.00 N ATOM 324 CZ ARG A 23 1.372 8.598 -2.062 1.00 0.00 C ATOM 325 NH1 ARG A 23 2.047 9.537 -1.407 1.00 0.00 N ATOM 326 NH2 ARG A 23 1.206 8.712 -3.377 1.00 0.00 N ATOM 0 H ARG A 23 -1.552 4.035 -0.843 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.739 5.012 1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.483 6.370 -0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.643 7.239 0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.385 5.986 1.591 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.570 5.247 0.013 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.621 8.251 0.557 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.038 7.251 0.309 1.00 0.00 H new ATOM 0 HE ARG A 23 0.366 6.840 -1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.181 9.460 -0.399 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.431 10.335 -1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.690 7.997 -3.890 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.595 9.514 -3.872 1.00 0.00 H new ATOM 340 N SER A 24 -4.347 4.384 0.477 1.00 0.00 N ATOM 341 CA SER A 24 -5.802 4.402 0.515 1.00 0.00 C ATOM 342 C SER A 24 -6.280 3.071 1.091 1.00 0.00 C ATOM 343 O SER A 24 -5.496 2.128 1.198 1.00 0.00 O ATOM 344 CB SER A 24 -6.362 4.625 -0.890 1.00 0.00 C ATOM 345 OG SER A 24 -5.965 5.891 -1.368 1.00 0.00 O ATOM 0 H SER A 24 -3.968 3.521 0.086 1.00 0.00 H new ATOM 0 HA SER A 24 -6.156 5.219 1.144 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.005 3.844 -1.562 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.450 4.558 -0.873 1.00 0.00 H new ATOM 0 HG SER A 24 -5.263 5.780 -2.043 1.00 0.00 H new ATOM 351 N CYS A 25 -7.559 2.974 1.465 1.00 0.00 N ATOM 352 CA CYS A 25 -8.060 1.753 2.066 1.00 0.00 C ATOM 353 C CYS A 25 -8.180 0.649 1.017 1.00 0.00 C ATOM 354 O CYS A 25 -8.707 0.870 -0.071 1.00 0.00 O ATOM 355 CB CYS A 25 -9.380 2.026 2.778 1.00 0.00 C ATOM 356 SG CYS A 25 -9.265 3.378 3.978 1.00 0.00 S ATOM 0 H CYS A 25 -8.250 3.717 1.361 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.352 1.400 2.816 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -10.143 2.267 2.038 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.706 1.120 3.289 1.00 0.00 H new ATOM 361 N HIS A 26 -7.691 -0.545 1.359 1.00 0.00 N ATOM 362 CA HIS A 26 -7.687 -1.699 0.470 1.00 0.00 C ATOM 363 C HIS A 26 -7.895 -2.975 1.280 1.00 0.00 C ATOM 364 O HIS A 26 -7.849 -2.947 2.509 1.00 0.00 O ATOM 365 CB HIS A 26 -6.342 -1.736 -0.255 1.00 0.00 C ATOM 366 CG HIS A 26 -5.182 -1.641 0.701 1.00 0.00 C ATOM 367 ND1 HIS A 26 -4.466 -0.496 0.987 1.00 0.00 N ATOM 368 CD2 HIS A 26 -4.662 -2.659 1.452 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.532 -0.809 1.902 1.00 0.00 C ATOM 370 NE2 HIS A 26 -3.635 -2.118 2.199 1.00 0.00 N ATOM 0 H HIS A 26 -7.282 -0.736 2.274 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.495 -1.624 -0.257 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.265 -2.660 -0.828 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.292 -0.913 -0.968 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.619 0.425 0.576 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.991 -3.688 1.459 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.816 -0.122 2.329 1.00 0.00 H new ATOM 379 N ARG A 27 -8.129 -4.098 0.596 1.00 0.00 N ATOM 380 CA ARG A 27 -8.368 -5.371 1.255 1.00 0.00 C ATOM 381 C ARG A 27 -7.073 -5.947 1.823 1.00 0.00 C ATOM 382 O ARG A 27 -6.033 -5.916 1.161 1.00 0.00 O ATOM 383 CB ARG A 27 -9.012 -6.332 0.255 1.00 0.00 C ATOM 384 CG ARG A 27 -9.429 -7.658 0.903 1.00 0.00 C ATOM 385 CD ARG A 27 -10.483 -7.441 1.991 1.00 0.00 C ATOM 386 NE ARG A 27 -10.875 -8.718 2.603 1.00 0.00 N ATOM 387 CZ ARG A 27 -11.874 -8.852 3.480 1.00 0.00 C ATOM 388 NH1 ARG A 27 -12.596 -7.799 3.855 1.00 0.00 N ATOM 389 NH2 ARG A 27 -12.160 -10.049 3.987 1.00 0.00 N ATOM 0 H ARG A 27 -8.157 -4.144 -0.423 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.045 -5.223 2.096 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.887 -5.857 -0.189 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.311 -6.532 -0.556 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.824 -8.329 0.140 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.554 -8.145 1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.089 -6.772 2.756 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.359 -6.954 1.562 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.352 -9.554 2.342 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.389 -6.876 3.472 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.356 -7.914 4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.616 -10.865 3.706 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.923 -10.150 4.656 1.00 0.00 H new ATOM 403 N GLY A 28 -7.143 -6.470 3.049 1.00 0.00 N ATOM 404 CA GLY A 28 -6.026 -7.114 3.728 1.00 0.00 C ATOM 405 C GLY A 28 -6.240 -8.622 3.829 1.00 0.00 C ATOM 406 O GLY A 28 -7.023 -9.198 3.076 1.00 0.00 O ATOM 0 H GLY A 28 -7.998 -6.455 3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.102 -6.910 3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.911 -6.692 4.726 1.00 0.00 H new ATOM 410 N ASP A 29 -5.534 -9.262 4.766 1.00 0.00 N ATOM 411 CA ASP A 29 -5.592 -10.709 4.939 1.00 0.00 C ATOM 412 C ASP A 29 -6.751 -11.142 5.838 1.00 0.00 C ATOM 413 O ASP A 29 -7.144 -12.307 5.816 1.00 0.00 O ATOM 414 CB ASP A 29 -4.255 -11.170 5.522 1.00 0.00 C ATOM 415 CG ASP A 29 -4.146 -12.693 5.565 1.00 0.00 C ATOM 416 OD1 ASP A 29 -4.136 -13.308 4.474 1.00 0.00 O ATOM 417 OD2 ASP A 29 -4.076 -13.226 6.693 1.00 0.00 O ATOM 0 H ASP A 29 -4.910 -8.791 5.421 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.770 -11.174 3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.439 -10.765 4.924 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.141 -10.769 6.529 1.00 0.00 H new ATOM 422 N VAL A 30 -7.305 -10.216 6.631 1.00 0.00 N ATOM 423 CA VAL A 30 -8.400 -10.520 7.549 1.00 0.00 C ATOM 424 C VAL A 30 -9.480 -9.432 7.531 1.00 0.00 C ATOM 425 O VAL A 30 -10.566 -9.618 8.075 1.00 0.00 O ATOM 426 CB VAL A 30 -7.808 -10.730 8.948 1.00 0.00 C ATOM 427 CG1 VAL A 30 -7.220 -9.430 9.502 1.00 0.00 C ATOM 428 CG2 VAL A 30 -8.856 -11.261 9.924 1.00 0.00 C ATOM 0 H VAL A 30 -7.006 -9.241 6.651 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.904 -11.433 7.231 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.013 -11.468 8.845 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.808 -9.611 10.495 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.429 -9.077 8.840 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.003 -8.675 9.566 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.403 -11.398 10.906 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.677 -10.548 10.000 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.238 -12.216 9.564 1.00 0.00 H new ATOM 438 N GLY A 31 -9.190 -8.291 6.902 1.00 0.00 N ATOM 439 CA GLY A 31 -10.116 -7.171 6.807 1.00 0.00 C ATOM 440 C GLY A 31 -9.473 -6.029 6.025 1.00 0.00 C ATOM 441 O GLY A 31 -8.319 -6.141 5.611 1.00 0.00 O ATOM 0 H GLY A 31 -8.296 -8.121 6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.035 -7.489 6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.391 -6.830 7.805 1.00 0.00 H new ATOM 445 N CYS A 32 -10.203 -4.930 5.821 1.00 0.00 N ATOM 446 CA CYS A 32 -9.675 -3.798 5.076 1.00 0.00 C ATOM 447 C CYS A 32 -8.793 -2.916 5.957 1.00 0.00 C ATOM 448 O CYS A 32 -9.074 -2.713 7.138 1.00 0.00 O ATOM 449 CB CYS A 32 -10.809 -3.006 4.431 1.00 0.00 C ATOM 450 SG CYS A 32 -11.611 -3.896 3.074 1.00 0.00 S ATOM 0 H CYS A 32 -11.156 -4.805 6.162 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.041 -4.180 4.276 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.553 -2.764 5.190 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -10.417 -2.060 4.056 1.00 0.00 H new ATOM 455 N VAL A 33 -7.721 -2.392 5.359 1.00 0.00 N ATOM 456 CA VAL A 33 -6.718 -1.594 6.052 1.00 0.00 C ATOM 457 C VAL A 33 -6.158 -0.520 5.124 1.00 0.00 C ATOM 458 O VAL A 33 -6.409 -0.534 3.920 1.00 0.00 O ATOM 459 CB VAL A 33 -5.572 -2.493 6.547 1.00 0.00 C ATOM 460 CG1 VAL A 33 -6.073 -3.570 7.510 1.00 0.00 C ATOM 461 CG2 VAL A 33 -4.859 -3.184 5.384 1.00 0.00 C ATOM 0 H VAL A 33 -7.526 -2.514 4.365 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.193 -1.113 6.907 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.875 -1.836 7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.234 -4.184 7.837 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.536 -3.097 8.376 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.807 -4.198 7.004 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.055 -3.811 5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.570 -3.803 4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.442 -2.432 4.714 1.00 0.00 H new ATOM 471 N ARG A 34 -5.392 0.417 5.689 1.00 0.00 N ATOM 472 CA ARG A 34 -4.716 1.475 4.949 1.00 0.00 C ATOM 473 C ARG A 34 -3.310 1.628 5.515 1.00 0.00 C ATOM 474 O ARG A 34 -3.108 1.367 6.697 1.00 0.00 O ATOM 475 CB ARG A 34 -5.517 2.776 5.041 1.00 0.00 C ATOM 476 CG ARG A 34 -5.716 3.220 6.490 1.00 0.00 C ATOM 477 CD ARG A 34 -6.550 4.500 6.534 1.00 0.00 C ATOM 478 NE ARG A 34 -6.796 4.917 7.919 1.00 0.00 N ATOM 479 CZ ARG A 34 -7.485 6.006 8.263 1.00 0.00 C ATOM 480 NH1 ARG A 34 -8.004 6.804 7.333 1.00 0.00 N ATOM 481 NH2 ARG A 34 -7.658 6.304 9.550 1.00 0.00 N ATOM 0 H ARG A 34 -5.224 0.458 6.694 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.644 1.222 3.891 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.000 3.561 4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.489 2.639 4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.214 2.432 7.055 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.749 3.390 6.963 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.032 5.295 5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.500 4.338 6.025 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.416 4.337 8.667 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.877 6.586 6.345 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.529 7.634 7.608 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.264 5.700 10.271 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.185 7.137 9.814 1.00 0.00 H new ATOM 495 N CYS A 35 -2.344 2.045 4.693 1.00 0.00 N ATOM 496 CA CYS A 35 -0.946 2.108 5.096 1.00 0.00 C ATOM 497 C CYS A 35 -0.327 3.472 4.764 1.00 0.00 C ATOM 498 O CYS A 35 -1.023 4.380 4.316 1.00 0.00 O ATOM 499 CB CYS A 35 -0.176 0.993 4.391 1.00 0.00 C ATOM 500 SG CYS A 35 -0.835 -0.688 4.562 1.00 0.00 S ATOM 0 H CYS A 35 -2.513 2.347 3.733 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.887 1.977 6.176 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.127 1.233 3.329 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.847 0.997 4.766 1.00 0.00 H new ATOM 505 N SER A 36 0.987 3.606 4.989 1.00 0.00 N ATOM 506 CA SER A 36 1.693 4.869 4.828 1.00 0.00 C ATOM 507 C SER A 36 2.541 4.947 3.557 1.00 0.00 C ATOM 508 O SER A 36 2.759 6.044 3.047 1.00 0.00 O ATOM 509 CB SER A 36 2.585 5.060 6.051 1.00 0.00 C ATOM 510 OG SER A 36 1.786 5.243 7.201 1.00 0.00 O ATOM 0 H SER A 36 1.585 2.836 5.288 1.00 0.00 H new ATOM 0 HA SER A 36 0.947 5.658 4.735 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.231 4.192 6.180 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.235 5.923 5.907 1.00 0.00 H new ATOM 0 HG SER A 36 2.363 5.364 7.984 1.00 0.00 H new ATOM 516 N ASN A 37 3.025 3.813 3.037 1.00 0.00 N ATOM 517 CA ASN A 37 3.865 3.801 1.846 1.00 0.00 C ATOM 518 C ASN A 37 3.792 2.427 1.173 1.00 0.00 C ATOM 519 O ASN A 37 3.051 1.558 1.634 1.00 0.00 O ATOM 520 CB ASN A 37 5.302 4.159 2.258 1.00 0.00 C ATOM 521 CG ASN A 37 6.175 4.562 1.080 1.00 0.00 C ATOM 522 OD1 ASN A 37 5.688 4.798 -0.023 1.00 0.00 O ATOM 523 ND2 ASN A 37 7.481 4.640 1.301 1.00 0.00 N ATOM 0 H ASN A 37 2.845 2.889 3.429 1.00 0.00 H new ATOM 0 HA ASN A 37 3.516 4.537 1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.274 4.976 2.979 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.753 3.304 2.762 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.112 4.902 0.543 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.854 4.438 2.228 1.00 0.00 H new ATOM 530 N ALA A 38 4.548 2.218 0.090 1.00 0.00 N ATOM 531 CA ALA A 38 4.516 0.969 -0.653 1.00 0.00 C ATOM 532 C ALA A 38 5.833 0.667 -1.364 1.00 0.00 C ATOM 533 O ALA A 38 6.723 1.512 -1.449 1.00 0.00 O ATOM 534 CB ALA A 38 3.411 1.065 -1.699 1.00 0.00 C ATOM 0 H ALA A 38 5.194 2.911 -0.289 1.00 0.00 H new ATOM 0 HA ALA A 38 4.338 0.163 0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.369 0.137 -2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.454 1.230 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.619 1.896 -2.373 1.00 0.00 H new ATOM 540 N GLN A 39 5.936 -0.559 -1.876 1.00 0.00 N ATOM 541 CA GLN A 39 7.042 -1.021 -2.703 1.00 0.00 C ATOM 542 C GLN A 39 6.549 -2.152 -3.610 1.00 0.00 C ATOM 543 O GLN A 39 5.447 -2.665 -3.424 1.00 0.00 O ATOM 544 CB GLN A 39 8.205 -1.499 -1.830 1.00 0.00 C ATOM 545 CG GLN A 39 7.799 -2.671 -0.933 1.00 0.00 C ATOM 546 CD GLN A 39 9.013 -3.280 -0.243 1.00 0.00 C ATOM 547 OE1 GLN A 39 9.381 -4.420 -0.507 1.00 0.00 O ATOM 548 NE2 GLN A 39 9.651 -2.527 0.647 1.00 0.00 N ATOM 0 H GLN A 39 5.229 -1.277 -1.720 1.00 0.00 H new ATOM 0 HA GLN A 39 7.404 -0.196 -3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.037 -1.800 -2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.558 -0.674 -1.212 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.085 -2.329 -0.184 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.296 -3.432 -1.529 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.321 -1.582 0.846 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.470 -2.894 1.131 1.00 0.00 H new ATOM 557 N CYS A 40 7.363 -2.545 -4.594 1.00 0.00 N ATOM 558 CA CYS A 40 7.031 -3.650 -5.480 1.00 0.00 C ATOM 559 C CYS A 40 7.960 -4.831 -5.204 1.00 0.00 C ATOM 560 O CYS A 40 9.145 -4.648 -4.927 1.00 0.00 O ATOM 561 CB CYS A 40 7.066 -3.182 -6.934 1.00 0.00 C ATOM 562 SG CYS A 40 6.800 -4.494 -8.152 1.00 0.00 S ATOM 0 H CYS A 40 8.262 -2.106 -4.793 1.00 0.00 H new ATOM 0 HA CYS A 40 6.015 -3.996 -5.289 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.305 -2.414 -7.074 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.031 -2.713 -7.128 1.00 0.00 H new ATOM 567 N THR A 41 7.409 -6.042 -5.281 1.00 0.00 N ATOM 568 CA THR A 41 8.123 -7.273 -4.951 1.00 0.00 C ATOM 569 C THR A 41 7.925 -8.328 -6.035 1.00 0.00 C ATOM 570 O THR A 41 7.138 -8.138 -6.960 1.00 0.00 O ATOM 571 CB THR A 41 7.644 -7.800 -3.596 1.00 0.00 C ATOM 572 OG1 THR A 41 6.259 -8.057 -3.645 1.00 0.00 O ATOM 573 CG2 THR A 41 7.927 -6.784 -2.491 1.00 0.00 C ATOM 0 H THR A 41 6.445 -6.197 -5.577 1.00 0.00 H new ATOM 0 HA THR A 41 9.189 -7.052 -4.892 1.00 0.00 H new ATOM 0 HB THR A 41 8.184 -8.721 -3.377 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.810 -7.570 -2.923 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.579 -7.178 -1.536 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.999 -6.595 -2.436 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.405 -5.853 -2.711 1.00 0.00 H new ATOM 581 N GLY A 42 8.646 -9.446 -5.911 1.00 0.00 N ATOM 582 CA GLY A 42 8.589 -10.554 -6.857 1.00 0.00 C ATOM 583 C GLY A 42 9.973 -10.849 -7.423 1.00 0.00 C ATOM 584 O GLY A 42 10.941 -10.159 -7.097 1.00 0.00 O ATOM 0 H GLY A 42 9.293 -9.605 -5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.196 -11.442 -6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.903 -10.311 -7.668 1.00 0.00 H new ATOM 588 N PHE A 43 10.072 -11.875 -8.271 1.00 0.00 N ATOM 589 CA PHE A 43 11.341 -12.274 -8.861 1.00 0.00 C ATOM 590 C PHE A 43 11.808 -11.267 -9.913 1.00 0.00 C ATOM 591 O PHE A 43 12.993 -11.217 -10.238 1.00 0.00 O ATOM 592 CB PHE A 43 11.169 -13.666 -9.472 1.00 0.00 C ATOM 593 CG PHE A 43 12.408 -14.192 -10.162 1.00 0.00 C ATOM 594 CD1 PHE A 43 13.578 -14.430 -9.425 1.00 0.00 C ATOM 595 CD2 PHE A 43 12.391 -14.442 -11.543 1.00 0.00 C ATOM 596 CE1 PHE A 43 14.725 -14.917 -10.065 1.00 0.00 C ATOM 597 CE2 PHE A 43 13.542 -14.925 -12.186 1.00 0.00 C ATOM 598 CZ PHE A 43 14.708 -15.161 -11.447 1.00 0.00 C ATOM 0 H PHE A 43 9.279 -12.446 -8.563 1.00 0.00 H new ATOM 0 HA PHE A 43 12.110 -12.300 -8.089 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.880 -14.363 -8.686 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.350 -13.638 -10.190 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.594 -14.237 -8.362 1.00 0.00 H new ATOM 0 HD2 PHE A 43 11.491 -14.263 -12.112 1.00 0.00 H new ATOM 0 HE1 PHE A 43 15.623 -15.105 -9.495 1.00 0.00 H new ATOM 0 HE2 PHE A 43 13.528 -15.114 -13.249 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.594 -15.531 -11.941 1.00 0.00 H new ATOM 608 N LEU A 44 10.880 -10.461 -10.447 1.00 0.00 N ATOM 609 CA LEU A 44 11.162 -9.445 -11.456 1.00 0.00 C ATOM 610 C LEU A 44 10.414 -8.145 -11.140 1.00 0.00 C ATOM 611 O LEU A 44 10.378 -7.238 -11.971 1.00 0.00 O ATOM 612 CB LEU A 44 10.771 -9.973 -12.843 1.00 0.00 C ATOM 613 CG LEU A 44 11.620 -11.170 -13.287 1.00 0.00 C ATOM 614 CD1 LEU A 44 11.064 -11.730 -14.593 1.00 0.00 C ATOM 615 CD2 LEU A 44 13.074 -10.759 -13.522 1.00 0.00 C ATOM 0 H LEU A 44 9.896 -10.502 -10.181 1.00 0.00 H new ATOM 0 HA LEU A 44 12.230 -9.226 -11.449 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.720 -10.263 -12.833 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.873 -9.171 -13.574 1.00 0.00 H new ATOM 0 HG LEU A 44 11.584 -11.919 -12.496 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.667 -12.581 -14.910 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.034 -12.051 -14.442 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.094 -10.958 -15.362 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.652 -11.628 -13.836 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.115 -9.996 -14.299 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.493 -10.359 -12.599 1.00 0.00 H new ATOM 627 N GLY A 45 9.817 -8.054 -9.948 1.00 0.00 N ATOM 628 CA GLY A 45 8.996 -6.917 -9.560 1.00 0.00 C ATOM 629 C GLY A 45 7.673 -6.947 -10.317 1.00 0.00 C ATOM 630 O GLY A 45 7.532 -6.292 -11.347 1.00 0.00 O ATOM 0 H GLY A 45 9.893 -8.772 -9.227 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.811 -6.941 -8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.524 -5.987 -9.771 1.00 0.00 H new ATOM 634 N THR A 46 6.706 -7.712 -9.803 1.00 0.00 N ATOM 635 CA THR A 46 5.420 -7.909 -10.463 1.00 0.00 C ATOM 636 C THR A 46 4.257 -7.917 -9.473 1.00 0.00 C ATOM 637 O THR A 46 3.118 -8.158 -9.877 1.00 0.00 O ATOM 638 CB THR A 46 5.433 -9.217 -11.263 1.00 0.00 C ATOM 639 OG1 THR A 46 5.809 -10.284 -10.420 1.00 0.00 O ATOM 640 CG2 THR A 46 6.411 -9.140 -12.434 1.00 0.00 C ATOM 0 H THR A 46 6.796 -8.211 -8.918 1.00 0.00 H new ATOM 0 HA THR A 46 5.270 -7.066 -11.138 1.00 0.00 H new ATOM 0 HB THR A 46 4.430 -9.381 -11.657 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.815 -11.119 -10.932 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.398 -10.082 -12.982 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.118 -8.329 -13.100 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.417 -8.954 -12.057 1.00 0.00 H new ATOM 648 N THR A 47 4.516 -7.652 -8.188 1.00 0.00 N ATOM 649 CA THR A 47 3.482 -7.661 -7.161 1.00 0.00 C ATOM 650 C THR A 47 3.589 -6.412 -6.290 1.00 0.00 C ATOM 651 O THR A 47 4.682 -5.898 -6.066 1.00 0.00 O ATOM 652 CB THR A 47 3.610 -8.937 -6.318 1.00 0.00 C ATOM 653 OG1 THR A 47 3.543 -10.067 -7.159 1.00 0.00 O ATOM 654 CG2 THR A 47 2.495 -9.044 -5.279 1.00 0.00 C ATOM 0 H THR A 47 5.447 -7.427 -7.837 1.00 0.00 H new ATOM 0 HA THR A 47 2.500 -7.653 -7.634 1.00 0.00 H new ATOM 0 HB THR A 47 4.568 -8.893 -5.800 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.626 -10.881 -6.620 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.621 -9.961 -4.703 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.538 -8.185 -4.609 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.529 -9.062 -5.783 1.00 0.00 H new ATOM 662 N CYS A 48 2.448 -5.926 -5.799 1.00 0.00 N ATOM 663 CA CYS A 48 2.388 -4.750 -4.948 1.00 0.00 C ATOM 664 C CYS A 48 2.410 -5.147 -3.473 1.00 0.00 C ATOM 665 O CYS A 48 1.747 -6.106 -3.076 1.00 0.00 O ATOM 666 CB CYS A 48 1.127 -3.953 -5.291 1.00 0.00 C ATOM 667 SG CYS A 48 0.846 -2.490 -4.265 1.00 0.00 S ATOM 0 H CYS A 48 1.537 -6.344 -5.985 1.00 0.00 H new ATOM 0 HA CYS A 48 3.263 -4.125 -5.125 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.185 -3.641 -6.334 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.263 -4.612 -5.202 1.00 0.00 H new ATOM 672 N THR A 49 3.176 -4.403 -2.665 1.00 0.00 N ATOM 673 CA THR A 49 3.267 -4.615 -1.226 1.00 0.00 C ATOM 674 C THR A 49 3.254 -3.267 -0.509 1.00 0.00 C ATOM 675 O THR A 49 3.795 -2.288 -1.018 1.00 0.00 O ATOM 676 CB THR A 49 4.539 -5.404 -0.894 1.00 0.00 C ATOM 677 OG1 THR A 49 4.518 -6.650 -1.552 1.00 0.00 O ATOM 678 CG2 THR A 49 4.665 -5.661 0.609 1.00 0.00 C ATOM 0 H THR A 49 3.753 -3.632 -3.001 1.00 0.00 H new ATOM 0 HA THR A 49 2.410 -5.196 -0.886 1.00 0.00 H new ATOM 0 HB THR A 49 5.387 -4.806 -1.227 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.651 -6.774 -1.991 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.578 -6.222 0.807 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.702 -4.709 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.805 -6.235 0.953 1.00 0.00 H new ATOM 686 N CYS A 50 2.638 -3.214 0.677 1.00 0.00 N ATOM 687 CA CYS A 50 2.529 -1.979 1.441 1.00 0.00 C ATOM 688 C CYS A 50 3.535 -1.937 2.593 1.00 0.00 C ATOM 689 O CYS A 50 4.078 -2.966 2.993 1.00 0.00 O ATOM 690 CB CYS A 50 1.095 -1.798 1.940 1.00 0.00 C ATOM 691 SG CYS A 50 -0.172 -1.821 0.643 1.00 0.00 S ATOM 0 H CYS A 50 2.206 -4.022 1.126 1.00 0.00 H new ATOM 0 HA CYS A 50 2.773 -1.145 0.783 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.873 -2.587 2.659 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.029 -0.851 2.476 1.00 0.00 H new ATOM 696 N ILE A 51 3.770 -0.735 3.125 1.00 0.00 N ATOM 697 CA ILE A 51 4.728 -0.498 4.199 1.00 0.00 C ATOM 698 C ILE A 51 3.991 -0.167 5.494 1.00 0.00 C ATOM 699 O ILE A 51 2.958 0.502 5.464 1.00 0.00 O ATOM 700 CB ILE A 51 5.660 0.648 3.790 1.00 0.00 C ATOM 701 CG1 ILE A 51 6.397 0.341 2.479 1.00 0.00 C ATOM 702 CG2 ILE A 51 6.673 0.971 4.889 1.00 0.00 C ATOM 703 CD1 ILE A 51 7.324 -0.866 2.582 1.00 0.00 C ATOM 0 H ILE A 51 3.291 0.111 2.815 1.00 0.00 H new ATOM 0 HA ILE A 51 5.323 -1.395 4.372 1.00 0.00 H new ATOM 0 HB ILE A 51 5.026 1.521 3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.665 0.163 1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.979 1.214 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.316 1.788 4.562 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.145 1.265 5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.281 0.090 5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.815 -1.031 1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.077 -0.682 3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.743 -1.749 2.848 1.00 0.00 H new ATOM 715 N ASN A 52 4.524 -0.628 6.631 1.00 0.00 N ATOM 716 CA ASN A 52 3.918 -0.406 7.934 1.00 0.00 C ATOM 717 C ASN A 52 4.086 1.050 8.376 1.00 0.00 C ATOM 718 O ASN A 52 5.017 1.720 7.928 1.00 0.00 O ATOM 719 CB ASN A 52 4.555 -1.366 8.942 1.00 0.00 C ATOM 720 CG ASN A 52 4.375 -2.817 8.525 1.00 0.00 C ATOM 721 OD1 ASN A 52 5.302 -3.440 8.016 1.00 0.00 O ATOM 722 ND2 ASN A 52 3.183 -3.366 8.739 1.00 0.00 N ATOM 0 H ASN A 52 5.390 -1.166 6.666 1.00 0.00 H new ATOM 0 HA ASN A 52 2.847 -0.601 7.876 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.618 -1.143 9.036 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.109 -1.211 9.924 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.015 -4.337 8.478 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.437 -2.816 9.165 1.00 0.00 H new ATOM 729 N PRO A 53 3.207 1.561 9.249 1.00 0.00 N ATOM 730 CA PRO A 53 2.065 0.870 9.830 1.00 0.00 C ATOM 731 C PRO A 53 0.933 0.721 8.815 1.00 0.00 C ATOM 732 O PRO A 53 0.928 1.373 7.773 1.00 0.00 O ATOM 733 CB PRO A 53 1.619 1.757 10.993 1.00 0.00 C ATOM 734 CG PRO A 53 1.979 3.157 10.500 1.00 0.00 C ATOM 735 CD PRO A 53 3.289 2.919 9.749 1.00 0.00 C ATOM 0 HA PRO A 53 2.327 -0.139 10.149 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.552 1.659 11.192 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.140 1.506 11.917 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.208 3.568 9.849 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.106 3.857 11.326 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.408 3.631 8.933 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.148 3.043 10.409 1.00 0.00 H new ATOM 743 N CYS A 54 -0.029 -0.148 9.134 1.00 0.00 N ATOM 744 CA CYS A 54 -1.189 -0.403 8.297 1.00 0.00 C ATOM 745 C CYS A 54 -2.444 -0.546 9.167 1.00 0.00 C ATOM 746 O CYS A 54 -2.986 -1.645 9.291 1.00 0.00 O ATOM 747 CB CYS A 54 -0.967 -1.665 7.464 1.00 0.00 C ATOM 748 SG CYS A 54 0.216 -1.533 6.098 1.00 0.00 S ATOM 0 H CYS A 54 -0.018 -0.698 9.993 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.331 0.439 7.619 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.631 -2.459 8.131 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.928 -1.977 7.055 1.00 0.00 H new ATOM 753 N PRO A 55 -2.921 0.547 9.781 1.00 0.00 N ATOM 754 CA PRO A 55 -4.116 0.553 10.606 1.00 0.00 C ATOM 755 C PRO A 55 -5.356 0.185 9.791 1.00 0.00 C ATOM 756 O PRO A 55 -5.351 0.260 8.563 1.00 0.00 O ATOM 757 CB PRO A 55 -4.217 1.971 11.170 1.00 0.00 C ATOM 758 CG PRO A 55 -3.480 2.810 10.129 1.00 0.00 C ATOM 759 CD PRO A 55 -2.349 1.878 9.707 1.00 0.00 C ATOM 0 HA PRO A 55 -4.057 -0.189 11.402 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.254 2.287 11.282 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.752 2.048 12.153 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.123 3.075 9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.104 3.743 10.550 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.004 2.105 8.698 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.488 1.976 10.368 1.00 0.00 H new ATOM 767 N ARG A 56 -6.429 -0.210 10.482 1.00 0.00 N ATOM 768 CA ARG A 56 -7.654 -0.661 9.833 1.00 0.00 C ATOM 769 C ARG A 56 -8.465 0.510 9.286 1.00 0.00 C ATOM 770 O ARG A 56 -8.271 1.656 9.691 1.00 0.00 O ATOM 771 CB ARG A 56 -8.487 -1.507 10.801 1.00 0.00 C ATOM 772 CG ARG A 56 -7.705 -2.737 11.262 1.00 0.00 C ATOM 773 CD ARG A 56 -8.606 -3.640 12.106 1.00 0.00 C ATOM 774 NE ARG A 56 -7.879 -4.828 12.575 1.00 0.00 N ATOM 775 CZ ARG A 56 -8.432 -5.803 13.303 1.00 0.00 C ATOM 776 NH1 ARG A 56 -9.717 -5.755 13.651 1.00 0.00 N ATOM 777 NH2 ARG A 56 -7.695 -6.840 13.690 1.00 0.00 N ATOM 0 H ARG A 56 -6.469 -0.225 11.501 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.376 -1.282 8.982 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.770 -0.906 11.665 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.411 -1.820 10.314 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.332 -3.286 10.398 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.836 -2.429 11.844 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.986 -3.082 12.962 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.470 -3.948 11.517 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.893 -4.914 12.330 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.295 -4.966 13.362 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.123 -6.508 14.207 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.710 -6.890 13.431 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.115 -7.585 14.246 1.00 0.00 H new ATOM 791 N CYS A 57 -9.377 0.200 8.360 1.00 0.00 N ATOM 792 CA CYS A 57 -10.239 1.177 7.709 1.00 0.00 C ATOM 793 C CYS A 57 -11.606 0.555 7.420 1.00 0.00 C ATOM 794 O CYS A 57 -12.600 1.069 7.980 1.00 0.00 O ATOM 795 CB CYS A 57 -9.566 1.656 6.423 1.00 0.00 C ATOM 796 SG CYS A 57 -10.544 2.837 5.461 1.00 0.00 S ATOM 797 OXT CYS A 57 -11.641 -0.427 6.644 1.00 0.00 O ATOM 0 H CYS A 57 -9.536 -0.755 8.040 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.394 2.035 8.364 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.611 2.116 6.677 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.347 0.790 5.798 1.00 0.00 H new TER 802 CYS A 57