USER MOD reduce.3.24.130724 H: found=0, std=0, add=284, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 283 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.146 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 74:sc= 0.0969 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 16 HIS : no HD1:sc= -2.83! C(o=-2.8!,f=-3.9!) USER MOD Single : A 20 LYS NZ :NH3+ 167:sc= -0.0155 (180deg=-0.206) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0338 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0.223 (180deg=0.223) USER MOD Single : A 34 ASN : amide:sc= 0.223 K(o=0.22,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.488 -2.046 5.845 1.00 0.00 N ATOM 2 CA GLY A 1 -8.089 -1.930 6.240 1.00 0.00 C ATOM 3 C GLY A 1 -7.186 -2.349 5.118 1.00 0.00 C ATOM 4 O GLY A 1 -7.652 -2.954 4.140 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.931 -1.105 5.857 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.546 -2.444 4.886 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.986 -2.672 6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.870 -0.901 6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.901 -2.550 7.116 1.00 0.00 H new ATOM 10 N ILE A 2 -5.907 -2.042 5.230 1.00 0.00 N ATOM 11 CA ILE A 2 -4.947 -2.420 4.214 1.00 0.00 C ATOM 12 C ILE A 2 -4.667 -3.906 4.271 1.00 0.00 C ATOM 13 O ILE A 2 -4.167 -4.435 5.271 1.00 0.00 O ATOM 14 CB ILE A 2 -3.634 -1.595 4.287 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.056 -1.577 5.719 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.874 -0.191 3.771 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.778 -0.778 5.876 1.00 0.00 C ATOM 0 H ILE A 2 -5.510 -1.530 6.018 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.398 -2.188 3.249 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.891 -2.075 3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.808 -1.170 6.395 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.868 -2.604 6.033 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.947 0.380 3.826 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.211 -0.237 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.637 0.295 4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.446 -0.822 6.913 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.006 -1.196 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.961 0.260 5.598 1.00 0.00 H new ATOM 29 N THR A 3 -4.999 -4.559 3.217 1.00 0.00 N ATOM 30 CA THR A 3 -4.913 -5.980 3.100 1.00 0.00 C ATOM 31 C THR A 3 -4.303 -6.276 1.749 1.00 0.00 C ATOM 32 O THR A 3 -4.399 -5.444 0.856 1.00 0.00 O ATOM 33 CB THR A 3 -6.345 -6.551 3.155 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.003 -6.089 4.359 1.00 0.00 O ATOM 35 CG2 THR A 3 -6.360 -8.073 3.123 1.00 0.00 C ATOM 0 H THR A 3 -5.353 -4.105 2.375 1.00 0.00 H new ATOM 0 HA THR A 3 -4.313 -6.420 3.896 1.00 0.00 H new ATOM 0 HB THR A 3 -6.874 -6.197 2.271 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.237 -5.142 4.261 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.390 -8.428 3.164 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.892 -8.422 2.203 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.809 -8.460 3.980 1.00 0.00 H new ATOM 43 N CYS A 4 -3.682 -7.405 1.593 1.00 0.00 N ATOM 44 CA CYS A 4 -3.088 -7.720 0.346 1.00 0.00 C ATOM 45 C CYS A 4 -3.778 -8.876 -0.321 1.00 0.00 C ATOM 46 O CYS A 4 -3.469 -10.053 -0.070 1.00 0.00 O ATOM 47 CB CYS A 4 -1.615 -7.975 0.509 1.00 0.00 C ATOM 48 SG CYS A 4 -0.740 -6.570 1.224 1.00 0.00 S ATOM 0 H CYS A 4 -3.578 -8.117 2.316 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.210 -6.858 -0.309 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.470 -8.849 1.144 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.182 -8.211 -0.463 1.00 0.00 H new ATOM 53 N ASP A 5 -4.732 -8.554 -1.145 1.00 0.00 N ATOM 54 CA ASP A 5 -5.430 -9.549 -1.918 1.00 0.00 C ATOM 55 C ASP A 5 -4.650 -9.709 -3.180 1.00 0.00 C ATOM 56 O ASP A 5 -4.483 -10.811 -3.709 1.00 0.00 O ATOM 57 CB ASP A 5 -6.862 -9.109 -2.241 1.00 0.00 C ATOM 58 CG ASP A 5 -7.640 -10.165 -3.014 1.00 0.00 C ATOM 59 OD1 ASP A 5 -8.167 -11.116 -2.383 1.00 0.00 O ATOM 60 OD2 ASP A 5 -7.767 -10.067 -4.251 1.00 0.00 O ATOM 0 H ASP A 5 -5.050 -7.598 -1.303 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.508 -10.482 -1.361 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.387 -8.884 -1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.832 -8.187 -2.822 1.00 0.00 H new ATOM 65 N LEU A 6 -4.116 -8.605 -3.623 1.00 0.00 N ATOM 66 CA LEU A 6 -3.298 -8.544 -4.769 1.00 0.00 C ATOM 67 C LEU A 6 -1.917 -8.113 -4.330 1.00 0.00 C ATOM 68 O LEU A 6 -1.734 -7.613 -3.222 1.00 0.00 O ATOM 69 CB LEU A 6 -3.857 -7.513 -5.751 1.00 0.00 C ATOM 70 CG LEU A 6 -5.314 -7.692 -6.171 1.00 0.00 C ATOM 71 CD1 LEU A 6 -5.746 -6.559 -7.080 1.00 0.00 C ATOM 72 CD2 LEU A 6 -5.512 -9.030 -6.858 1.00 0.00 C ATOM 0 H LEU A 6 -4.252 -7.701 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.264 -9.517 -5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.750 -6.524 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.239 -7.527 -6.649 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.935 -7.672 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.787 -6.702 -7.370 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.643 -5.610 -6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.119 -6.549 -7.972 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.557 -9.138 -7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.881 -9.080 -7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.241 -9.834 -6.174 1.00 0.00 H new ATOM 84 N ILE A 7 -0.964 -8.336 -5.160 1.00 0.00 N ATOM 85 CA ILE A 7 0.389 -7.888 -4.920 1.00 0.00 C ATOM 86 C ILE A 7 0.722 -6.848 -5.970 1.00 0.00 C ATOM 87 O ILE A 7 0.631 -7.125 -7.168 1.00 0.00 O ATOM 88 CB ILE A 7 1.404 -9.057 -5.004 1.00 0.00 C ATOM 89 CG1 ILE A 7 1.023 -10.162 -4.008 1.00 0.00 C ATOM 90 CG2 ILE A 7 2.831 -8.558 -4.740 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.929 -11.368 -4.053 1.00 0.00 C ATOM 0 H ILE A 7 -1.087 -8.839 -6.039 1.00 0.00 H new ATOM 0 HA ILE A 7 0.457 -7.473 -3.915 1.00 0.00 H new ATOM 0 HB ILE A 7 1.373 -9.471 -6.012 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.036 -9.748 -3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.000 -10.481 -4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.527 -9.395 -4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.097 -7.807 -5.484 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.884 -8.117 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.594 -12.102 -3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.899 -11.809 -5.049 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.950 -11.065 -3.821 1.00 0.00 H new ATOM 103 N GLY A 8 1.029 -5.643 -5.538 1.00 0.00 N ATOM 104 CA GLY A 8 1.360 -4.539 -6.455 1.00 0.00 C ATOM 105 C GLY A 8 0.135 -3.902 -7.098 1.00 0.00 C ATOM 106 O GLY A 8 0.044 -2.684 -7.241 1.00 0.00 O ATOM 0 H GLY A 8 1.060 -5.388 -4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.913 -3.775 -5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.020 -4.912 -7.238 1.00 0.00 H new ATOM 110 N ASN A 9 -0.826 -4.730 -7.426 1.00 0.00 N ATOM 111 CA ASN A 9 -2.058 -4.307 -8.086 1.00 0.00 C ATOM 112 C ASN A 9 -3.060 -3.923 -7.034 1.00 0.00 C ATOM 113 O ASN A 9 -4.191 -3.537 -7.326 1.00 0.00 O ATOM 114 CB ASN A 9 -2.640 -5.453 -8.937 1.00 0.00 C ATOM 115 CG ASN A 9 -1.693 -5.970 -9.995 1.00 0.00 C ATOM 116 OD1 ASN A 9 -0.829 -5.245 -10.488 1.00 0.00 O ATOM 117 ND2 ASN A 9 -1.856 -7.217 -10.370 1.00 0.00 N ATOM 0 H ASN A 9 -0.784 -5.733 -7.244 1.00 0.00 H new ATOM 0 HA ASN A 9 -1.840 -3.462 -8.738 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.919 -6.276 -8.279 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -3.554 -5.107 -9.419 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.256 -7.615 -11.092 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.583 -7.788 -9.939 1.00 0.00 H new ATOM 124 N GLU A 10 -2.606 -4.007 -5.811 1.00 0.00 N ATOM 125 CA GLU A 10 -3.372 -3.774 -4.634 1.00 0.00 C ATOM 126 C GLU A 10 -3.500 -2.260 -4.399 1.00 0.00 C ATOM 127 O GLU A 10 -2.949 -1.683 -3.449 1.00 0.00 O ATOM 128 CB GLU A 10 -2.669 -4.493 -3.485 1.00 0.00 C ATOM 129 CG GLU A 10 -3.397 -4.478 -2.183 1.00 0.00 C ATOM 130 CD GLU A 10 -4.802 -4.992 -2.301 1.00 0.00 C ATOM 131 OE1 GLU A 10 -5.749 -4.162 -2.310 1.00 0.00 O ATOM 132 OE2 GLU A 10 -5.002 -6.213 -2.391 1.00 0.00 O ATOM 0 H GLU A 10 -1.637 -4.254 -5.608 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.387 -4.162 -4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.500 -5.530 -3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.689 -4.039 -3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.852 -5.084 -1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.418 -3.460 -1.795 1.00 0.00 H new ATOM 139 N ARG A 11 -4.225 -1.632 -5.288 1.00 0.00 N ATOM 140 CA ARG A 11 -4.375 -0.196 -5.315 1.00 0.00 C ATOM 141 C ARG A 11 -5.144 0.302 -4.097 1.00 0.00 C ATOM 142 O ARG A 11 -5.000 1.462 -3.690 1.00 0.00 O ATOM 143 CB ARG A 11 -5.069 0.240 -6.588 1.00 0.00 C ATOM 144 CG ARG A 11 -4.885 1.712 -6.902 1.00 0.00 C ATOM 145 CD ARG A 11 -6.205 2.398 -7.130 1.00 0.00 C ATOM 146 NE ARG A 11 -6.985 2.492 -5.894 1.00 0.00 N ATOM 147 CZ ARG A 11 -8.332 2.536 -5.847 1.00 0.00 C ATOM 148 NH1 ARG A 11 -9.040 2.354 -6.956 1.00 0.00 N ATOM 149 NH2 ARG A 11 -8.965 2.728 -4.688 1.00 0.00 N ATOM 0 H ARG A 11 -4.738 -2.111 -6.028 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.378 0.245 -5.288 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.689 -0.352 -7.421 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.134 0.025 -6.504 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.359 2.197 -6.080 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.260 1.820 -7.788 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.032 3.398 -7.528 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.775 1.850 -7.880 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.476 2.526 -5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.565 2.181 -7.842 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.059 2.387 -6.922 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.430 2.843 -3.827 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.984 2.760 -4.663 1.00 0.00 H new ATOM 163 N LEU A 12 -5.941 -0.572 -3.508 1.00 0.00 N ATOM 164 CA LEU A 12 -6.678 -0.246 -2.300 1.00 0.00 C ATOM 165 C LEU A 12 -5.710 -0.055 -1.133 1.00 0.00 C ATOM 166 O LEU A 12 -6.010 0.634 -0.166 1.00 0.00 O ATOM 167 CB LEU A 12 -7.706 -1.330 -1.983 1.00 0.00 C ATOM 168 CG LEU A 12 -8.804 -1.547 -3.030 1.00 0.00 C ATOM 169 CD1 LEU A 12 -9.675 -2.714 -2.638 1.00 0.00 C ATOM 170 CD2 LEU A 12 -9.651 -0.298 -3.196 1.00 0.00 C ATOM 0 H LEU A 12 -6.095 -1.520 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.218 0.687 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.177 -2.272 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.182 -1.084 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.324 -1.765 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.451 -2.858 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.066 -3.615 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.138 -2.514 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.423 -0.478 -3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.120 -0.047 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.019 0.530 -3.518 1.00 0.00 H new ATOM 182 N CYS A 13 -4.545 -0.644 -1.246 1.00 0.00 N ATOM 183 CA CYS A 13 -3.523 -0.468 -0.260 1.00 0.00 C ATOM 184 C CYS A 13 -2.708 0.779 -0.602 1.00 0.00 C ATOM 185 O CYS A 13 -2.510 1.656 0.242 1.00 0.00 O ATOM 186 CB CYS A 13 -2.634 -1.714 -0.178 1.00 0.00 C ATOM 187 SG CYS A 13 -1.213 -1.553 0.929 1.00 0.00 S ATOM 0 H CYS A 13 -4.285 -1.254 -2.021 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.978 -0.331 0.721 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.242 -2.557 0.152 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.273 -1.954 -1.178 1.00 0.00 H new ATOM 192 N VAL A 14 -2.316 0.887 -1.883 1.00 0.00 N ATOM 193 CA VAL A 14 -1.491 2.007 -2.393 1.00 0.00 C ATOM 194 C VAL A 14 -2.098 3.359 -2.016 1.00 0.00 C ATOM 195 O VAL A 14 -1.389 4.258 -1.533 1.00 0.00 O ATOM 196 CB VAL A 14 -1.362 1.971 -3.940 1.00 0.00 C ATOM 197 CG1 VAL A 14 -0.368 3.014 -4.443 1.00 0.00 C ATOM 198 CG2 VAL A 14 -0.995 0.594 -4.442 1.00 0.00 C ATOM 0 H VAL A 14 -2.560 0.202 -2.598 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.509 1.889 -1.936 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.343 2.219 -4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.303 2.960 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.704 4.008 -4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.614 2.819 -4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.915 0.612 -5.529 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.039 0.293 -4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.766 -0.118 -4.147 1.00 0.00 H new ATOM 208 N VAL A 15 -3.415 3.475 -2.201 1.00 0.00 N ATOM 209 CA VAL A 15 -4.140 4.716 -1.929 1.00 0.00 C ATOM 210 C VAL A 15 -3.984 5.167 -0.472 1.00 0.00 C ATOM 211 O VAL A 15 -3.923 6.357 -0.200 1.00 0.00 O ATOM 212 CB VAL A 15 -5.649 4.623 -2.316 1.00 0.00 C ATOM 213 CG1 VAL A 15 -6.398 3.602 -1.480 1.00 0.00 C ATOM 214 CG2 VAL A 15 -6.321 5.988 -2.245 1.00 0.00 C ATOM 0 H VAL A 15 -4.005 2.716 -2.541 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.684 5.474 -2.566 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.688 4.277 -3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.443 3.576 -1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.953 2.617 -1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.337 3.878 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.371 5.891 -2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.246 6.378 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.827 6.673 -2.934 1.00 0.00 H new ATOM 224 N HIS A 16 -3.839 4.212 0.440 1.00 0.00 N ATOM 225 CA HIS A 16 -3.681 4.524 1.852 1.00 0.00 C ATOM 226 C HIS A 16 -2.386 5.282 2.058 1.00 0.00 C ATOM 227 O HIS A 16 -2.345 6.312 2.722 1.00 0.00 O ATOM 228 CB HIS A 16 -3.728 3.233 2.693 1.00 0.00 C ATOM 229 CG HIS A 16 -3.368 3.396 4.144 1.00 0.00 C ATOM 230 ND1 HIS A 16 -4.135 4.066 5.065 1.00 0.00 N ATOM 231 CD2 HIS A 16 -2.277 2.961 4.811 1.00 0.00 C ATOM 232 CE1 HIS A 16 -3.505 4.026 6.238 1.00 0.00 C ATOM 233 NE2 HIS A 16 -2.364 3.356 6.140 1.00 0.00 N ATOM 0 H HIS A 16 -3.828 3.215 0.224 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.503 5.158 2.184 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.733 2.815 2.630 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -3.051 2.504 2.248 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.465 2.395 4.379 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.874 4.478 7.147 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -1.692 3.170 6.884 1.00 0.00 H new ATOM 241 N CYS A 17 -1.359 4.815 1.413 1.00 0.00 N ATOM 242 CA CYS A 17 -0.069 5.430 1.507 1.00 0.00 C ATOM 243 C CYS A 17 -0.081 6.779 0.803 1.00 0.00 C ATOM 244 O CYS A 17 0.459 7.761 1.317 1.00 0.00 O ATOM 245 CB CYS A 17 0.966 4.491 0.929 1.00 0.00 C ATOM 246 SG CYS A 17 0.938 2.852 1.730 1.00 0.00 S ATOM 0 H CYS A 17 -1.392 3.996 0.806 1.00 0.00 H new ATOM 0 HA CYS A 17 0.188 5.618 2.550 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.790 4.373 -0.140 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.957 4.931 1.042 1.00 0.00 H new ATOM 251 N LEU A 18 -0.776 6.854 -0.322 1.00 0.00 N ATOM 252 CA LEU A 18 -0.873 8.101 -1.080 1.00 0.00 C ATOM 253 C LEU A 18 -1.649 9.151 -0.278 1.00 0.00 C ATOM 254 O LEU A 18 -1.352 10.343 -0.345 1.00 0.00 O ATOM 255 CB LEU A 18 -1.572 7.867 -2.428 1.00 0.00 C ATOM 256 CG LEU A 18 -0.923 6.847 -3.375 1.00 0.00 C ATOM 257 CD1 LEU A 18 -1.751 6.696 -4.637 1.00 0.00 C ATOM 258 CD2 LEU A 18 0.499 7.251 -3.725 1.00 0.00 C ATOM 0 H LEU A 18 -1.282 6.070 -0.733 1.00 0.00 H new ATOM 0 HA LEU A 18 0.138 8.462 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.594 7.544 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.635 8.822 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.886 5.887 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.278 5.970 -5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.752 6.352 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.819 7.658 -5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.933 6.510 -4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.490 8.224 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.095 7.309 -2.814 1.00 0.00 H new ATOM 270 N ALA A 19 -2.601 8.687 0.516 1.00 0.00 N ATOM 271 CA ALA A 19 -3.403 9.552 1.357 1.00 0.00 C ATOM 272 C ALA A 19 -2.617 10.004 2.580 1.00 0.00 C ATOM 273 O ALA A 19 -2.782 11.131 3.054 1.00 0.00 O ATOM 274 CB ALA A 19 -4.683 8.845 1.775 1.00 0.00 C ATOM 0 H ALA A 19 -2.837 7.698 0.593 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.667 10.438 0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.275 9.507 2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.258 8.579 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.434 7.941 2.331 1.00 0.00 H new ATOM 280 N LYS A 20 -1.770 9.127 3.100 1.00 0.00 N ATOM 281 CA LYS A 20 -0.939 9.455 4.258 1.00 0.00 C ATOM 282 C LYS A 20 0.180 10.414 3.887 1.00 0.00 C ATOM 283 O LYS A 20 0.643 11.184 4.719 1.00 0.00 O ATOM 284 CB LYS A 20 -0.349 8.202 4.905 1.00 0.00 C ATOM 285 CG LYS A 20 -1.377 7.267 5.515 1.00 0.00 C ATOM 286 CD LYS A 20 -0.718 6.078 6.201 1.00 0.00 C ATOM 287 CE LYS A 20 0.033 6.469 7.467 1.00 0.00 C ATOM 288 NZ LYS A 20 -0.860 7.033 8.504 1.00 0.00 N ATOM 0 H LYS A 20 -1.638 8.182 2.741 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.593 9.942 4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.221 7.655 4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.354 8.505 5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.983 7.814 6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.052 6.910 4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.480 5.339 6.450 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.026 5.601 5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.543 5.593 7.868 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.803 7.200 7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.354 7.078 9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.155 7.990 8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.700 6.428 8.606 1.00 0.00 H new ATOM 302 N GLY A 21 0.624 10.337 2.655 1.00 0.00 N ATOM 303 CA GLY A 21 1.664 11.230 2.196 1.00 0.00 C ATOM 304 C GLY A 21 2.882 10.476 1.751 1.00 0.00 C ATOM 305 O GLY A 21 4.018 10.866 2.037 1.00 0.00 O ATOM 0 H GLY A 21 0.287 9.673 1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.288 11.834 1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.934 11.918 2.997 1.00 0.00 H new ATOM 309 N PHE A 22 2.649 9.384 1.094 1.00 0.00 N ATOM 310 CA PHE A 22 3.679 8.540 0.577 1.00 0.00 C ATOM 311 C PHE A 22 3.596 8.469 -0.900 1.00 0.00 C ATOM 312 O PHE A 22 2.531 8.697 -1.485 1.00 0.00 O ATOM 313 CB PHE A 22 3.593 7.134 1.195 1.00 0.00 C ATOM 314 CG PHE A 22 4.248 7.068 2.505 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.584 6.808 2.555 1.00 0.00 C ATOM 316 CD2 PHE A 22 3.553 7.268 3.681 1.00 0.00 C ATOM 317 CE1 PHE A 22 6.241 6.741 3.725 1.00 0.00 C ATOM 318 CE2 PHE A 22 4.209 7.202 4.886 1.00 0.00 C ATOM 319 CZ PHE A 22 5.564 6.937 4.910 1.00 0.00 C ATOM 0 H PHE A 22 1.708 9.045 0.897 1.00 0.00 H new ATOM 0 HA PHE A 22 4.644 8.970 0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.547 6.847 1.298 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.056 6.413 0.521 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.127 6.652 1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.494 7.476 3.654 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.301 6.533 3.737 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.669 7.356 5.808 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.090 6.884 5.852 1.00 0.00 H new ATOM 329 N ARG A 23 4.706 8.153 -1.508 1.00 0.00 N ATOM 330 CA ARG A 23 4.786 7.980 -2.931 1.00 0.00 C ATOM 331 C ARG A 23 4.197 6.642 -3.309 1.00 0.00 C ATOM 332 O ARG A 23 3.895 6.385 -4.487 1.00 0.00 O ATOM 333 CB ARG A 23 6.225 8.094 -3.431 1.00 0.00 C ATOM 334 CG ARG A 23 6.848 9.474 -3.291 1.00 0.00 C ATOM 335 CD ARG A 23 6.042 10.515 -4.049 1.00 0.00 C ATOM 336 NE ARG A 23 5.796 10.104 -5.440 1.00 0.00 N ATOM 337 CZ ARG A 23 5.125 10.811 -6.349 1.00 0.00 C ATOM 338 NH1 ARG A 23 4.700 12.034 -6.070 1.00 0.00 N ATOM 339 NH2 ARG A 23 4.903 10.293 -7.545 1.00 0.00 N ATOM 0 H ARG A 23 5.591 8.007 -1.023 1.00 0.00 H new ATOM 0 HA ARG A 23 4.214 8.776 -3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.840 7.377 -2.887 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.252 7.805 -4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.902 9.747 -2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.870 9.455 -3.668 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.090 10.677 -3.544 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.575 11.466 -4.039 1.00 0.00 H new ATOM 0 HE ARG A 23 6.171 9.202 -5.734 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.886 12.442 -5.154 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.187 12.568 -6.772 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.245 9.358 -7.767 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.390 10.828 -8.245 1.00 0.00 H new ATOM 353 N GLY A 24 3.999 5.791 -2.319 1.00 0.00 N ATOM 354 CA GLY A 24 3.345 4.566 -2.596 1.00 0.00 C ATOM 355 C GLY A 24 3.527 3.516 -1.554 1.00 0.00 C ATOM 356 O GLY A 24 4.470 3.552 -0.714 1.00 0.00 O ATOM 0 H GLY A 24 4.279 5.936 -1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.279 4.758 -2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.710 4.181 -3.548 1.00 0.00 H new ATOM 360 N GLY A 25 2.604 2.606 -1.587 1.00 0.00 N ATOM 361 CA GLY A 25 2.559 1.530 -0.688 1.00 0.00 C ATOM 362 C GLY A 25 2.395 0.280 -1.443 1.00 0.00 C ATOM 363 O GLY A 25 1.772 0.282 -2.513 1.00 0.00 O ATOM 0 H GLY A 25 1.844 2.605 -2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.474 1.495 -0.097 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.733 1.658 0.011 1.00 0.00 H new ATOM 367 N TRP A 26 2.919 -0.762 -0.930 1.00 0.00 N ATOM 368 CA TRP A 26 2.949 -2.002 -1.628 1.00 0.00 C ATOM 369 C TRP A 26 2.894 -3.120 -0.614 1.00 0.00 C ATOM 370 O TRP A 26 3.123 -2.901 0.592 1.00 0.00 O ATOM 371 CB TRP A 26 4.272 -2.115 -2.445 1.00 0.00 C ATOM 372 CG TRP A 26 5.467 -2.430 -1.583 1.00 0.00 C ATOM 373 CD1 TRP A 26 6.114 -3.623 -1.500 1.00 0.00 C ATOM 374 CD2 TRP A 26 6.114 -1.564 -0.643 1.00 0.00 C ATOM 375 NE1 TRP A 26 7.098 -3.553 -0.560 1.00 0.00 N ATOM 376 CE2 TRP A 26 7.120 -2.312 -0.023 1.00 0.00 C ATOM 377 CE3 TRP A 26 5.931 -0.235 -0.267 1.00 0.00 C ATOM 378 CZ2 TRP A 26 7.939 -1.794 0.951 1.00 0.00 C ATOM 379 CZ3 TRP A 26 6.742 0.300 0.702 1.00 0.00 C ATOM 380 CH2 TRP A 26 7.742 -0.482 1.310 1.00 0.00 C ATOM 0 H TRP A 26 3.346 -0.788 -0.004 1.00 0.00 H new ATOM 0 HA TRP A 26 2.102 -2.065 -2.311 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.161 -2.892 -3.202 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.448 -1.178 -2.974 1.00 0.00 H new ATOM 0 HD1 TRP A 26 5.882 -4.497 -2.091 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.721 -4.318 -0.301 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.162 0.365 -0.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.707 -2.394 1.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 6.612 1.330 1.001 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.367 -0.042 2.074 1.00 0.00 H new ATOM 391 N CYS A 27 2.601 -4.271 -1.084 1.00 0.00 N ATOM 392 CA CYS A 27 2.620 -5.443 -0.289 1.00 0.00 C ATOM 393 C CYS A 27 3.928 -6.165 -0.492 1.00 0.00 C ATOM 394 O CYS A 27 4.272 -6.525 -1.624 1.00 0.00 O ATOM 395 CB CYS A 27 1.479 -6.334 -0.692 1.00 0.00 C ATOM 396 SG CYS A 27 -0.125 -5.580 -0.410 1.00 0.00 S ATOM 0 H CYS A 27 2.334 -4.432 -2.055 1.00 0.00 H new ATOM 0 HA CYS A 27 2.517 -5.176 0.763 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.576 -6.586 -1.748 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.539 -7.269 -0.134 1.00 0.00 H new ATOM 401 N ASP A 28 4.677 -6.338 0.577 1.00 0.00 N ATOM 402 CA ASP A 28 5.935 -7.092 0.501 1.00 0.00 C ATOM 403 C ASP A 28 5.657 -8.570 0.339 1.00 0.00 C ATOM 404 O ASP A 28 4.500 -8.998 0.366 1.00 0.00 O ATOM 405 CB ASP A 28 6.813 -6.907 1.749 1.00 0.00 C ATOM 406 CG ASP A 28 7.770 -5.761 1.687 1.00 0.00 C ATOM 407 OD1 ASP A 28 7.854 -5.022 2.661 1.00 0.00 O ATOM 408 OD2 ASP A 28 8.494 -5.621 0.675 1.00 0.00 O ATOM 0 H ASP A 28 4.450 -5.976 1.503 1.00 0.00 H new ATOM 0 HA ASP A 28 6.471 -6.700 -0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.164 -6.772 2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.379 -7.824 1.915 1.00 0.00 H new ATOM 413 N SER A 29 6.714 -9.364 0.258 1.00 0.00 N ATOM 414 CA SER A 29 6.605 -10.810 0.145 1.00 0.00 C ATOM 415 C SER A 29 6.068 -11.422 1.457 1.00 0.00 C ATOM 416 O SER A 29 5.711 -12.603 1.533 1.00 0.00 O ATOM 417 CB SER A 29 7.963 -11.385 -0.268 1.00 0.00 C ATOM 418 OG SER A 29 9.019 -10.769 0.474 1.00 0.00 O ATOM 0 H SER A 29 7.675 -9.022 0.269 1.00 0.00 H new ATOM 0 HA SER A 29 5.883 -11.072 -0.629 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.974 -12.462 -0.100 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.121 -11.227 -1.335 1.00 0.00 H new ATOM 0 HG SER A 29 9.879 -11.150 0.198 1.00 0.00 H new ATOM 424 N ARG A 30 6.004 -10.581 2.481 1.00 0.00 N ATOM 425 CA ARG A 30 5.413 -10.923 3.764 1.00 0.00 C ATOM 426 C ARG A 30 3.891 -10.738 3.710 1.00 0.00 C ATOM 427 O ARG A 30 3.201 -11.018 4.679 1.00 0.00 O ATOM 428 CB ARG A 30 5.985 -10.020 4.860 1.00 0.00 C ATOM 429 CG ARG A 30 7.458 -10.229 5.162 1.00 0.00 C ATOM 430 CD ARG A 30 7.988 -9.115 6.062 1.00 0.00 C ATOM 431 NE ARG A 30 7.922 -7.793 5.391 1.00 0.00 N ATOM 432 CZ ARG A 30 7.483 -6.649 5.952 1.00 0.00 C ATOM 433 NH1 ARG A 30 7.110 -6.629 7.221 1.00 0.00 N ATOM 434 NH2 ARG A 30 7.446 -5.522 5.243 1.00 0.00 N ATOM 0 H ARG A 30 6.367 -9.629 2.441 1.00 0.00 H new ATOM 0 HA ARG A 30 5.646 -11.964 3.986 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.834 -8.981 4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.416 -10.181 5.776 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.601 -11.194 5.647 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.025 -10.252 4.232 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.408 -9.085 6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.019 -9.331 6.341 1.00 0.00 H new ATOM 0 HE ARG A 30 8.236 -7.746 4.422 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.154 -7.482 7.779 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.778 -5.761 7.641 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.751 -5.522 4.270 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.113 -4.659 5.673 1.00 0.00 H new ATOM 448 N LYS A 31 3.389 -10.224 2.566 1.00 0.00 N ATOM 449 CA LYS A 31 1.953 -9.951 2.336 1.00 0.00 C ATOM 450 C LYS A 31 1.435 -8.846 3.236 1.00 0.00 C ATOM 451 O LYS A 31 0.245 -8.752 3.510 1.00 0.00 O ATOM 452 CB LYS A 31 1.092 -11.224 2.455 1.00 0.00 C ATOM 453 CG LYS A 31 1.302 -12.236 1.328 1.00 0.00 C ATOM 454 CD LYS A 31 0.929 -11.666 -0.047 1.00 0.00 C ATOM 455 CE LYS A 31 -0.524 -11.224 -0.125 1.00 0.00 C ATOM 456 NZ LYS A 31 -1.490 -12.308 0.120 1.00 0.00 N ATOM 0 H LYS A 31 3.976 -9.984 1.767 1.00 0.00 H new ATOM 0 HA LYS A 31 1.866 -9.600 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.310 -11.708 3.407 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.041 -10.936 2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.345 -12.552 1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.702 -13.125 1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.575 -10.817 -0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.117 -12.420 -0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.692 -10.430 0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.712 -10.799 -1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.458 -11.933 0.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.358 -13.058 -0.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.338 -12.700 1.071 1.00 0.00 H new ATOM 470 N VAL A 32 2.331 -7.986 3.638 1.00 0.00 N ATOM 471 CA VAL A 32 1.994 -6.873 4.493 1.00 0.00 C ATOM 472 C VAL A 32 2.132 -5.604 3.701 1.00 0.00 C ATOM 473 O VAL A 32 3.079 -5.471 2.898 1.00 0.00 O ATOM 474 CB VAL A 32 2.942 -6.785 5.725 1.00 0.00 C ATOM 475 CG1 VAL A 32 2.496 -5.698 6.701 1.00 0.00 C ATOM 476 CG2 VAL A 32 3.051 -8.119 6.431 1.00 0.00 C ATOM 0 H VAL A 32 3.318 -8.035 3.383 1.00 0.00 H new ATOM 0 HA VAL A 32 0.974 -7.015 4.851 1.00 0.00 H new ATOM 0 HB VAL A 32 3.929 -6.515 5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.181 -5.666 7.548 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.498 -4.732 6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.490 -5.919 7.057 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.720 -8.024 7.286 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.065 -8.431 6.774 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.447 -8.864 5.741 1.00 0.00 H new ATOM 486 N CYS A 33 1.192 -4.727 3.883 1.00 0.00 N ATOM 487 CA CYS A 33 1.232 -3.414 3.312 1.00 0.00 C ATOM 488 C CYS A 33 2.243 -2.546 4.027 1.00 0.00 C ATOM 489 O CYS A 33 2.314 -2.533 5.267 1.00 0.00 O ATOM 490 CB CYS A 33 -0.123 -2.752 3.399 1.00 0.00 C ATOM 491 SG CYS A 33 -1.297 -3.198 2.106 1.00 0.00 S ATOM 0 H CYS A 33 0.359 -4.907 4.444 1.00 0.00 H new ATOM 0 HA CYS A 33 1.521 -3.522 2.266 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.565 -2.997 4.365 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.019 -1.672 3.378 1.00 0.00 H new ATOM 496 N ASN A 34 3.036 -1.859 3.263 1.00 0.00 N ATOM 497 CA ASN A 34 4.014 -0.928 3.787 1.00 0.00 C ATOM 498 C ASN A 34 3.948 0.305 2.937 1.00 0.00 C ATOM 499 O ASN A 34 3.610 0.212 1.755 1.00 0.00 O ATOM 500 CB ASN A 34 5.440 -1.486 3.680 1.00 0.00 C ATOM 501 CG ASN A 34 5.624 -2.849 4.287 1.00 0.00 C ATOM 502 OD1 ASN A 34 5.967 -2.999 5.460 1.00 0.00 O ATOM 503 ND2 ASN A 34 5.408 -3.853 3.497 1.00 0.00 N ATOM 0 H ASN A 34 3.030 -1.923 2.245 1.00 0.00 H new ATOM 0 HA ASN A 34 3.794 -0.735 4.837 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.721 -1.530 2.628 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.126 -0.791 4.165 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.521 -4.806 3.841 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.125 -3.690 2.531 1.00 0.00 H new ATOM 510 N CYS A 35 4.232 1.439 3.509 1.00 0.00 N ATOM 511 CA CYS A 35 4.282 2.684 2.764 1.00 0.00 C ATOM 512 C CYS A 35 5.707 3.191 2.804 1.00 0.00 C ATOM 513 O CYS A 35 6.230 3.426 3.908 1.00 0.00 O ATOM 514 CB CYS A 35 3.349 3.722 3.394 1.00 0.00 C ATOM 515 SG CYS A 35 1.608 3.195 3.610 1.00 0.00 S ATOM 0 H CYS A 35 4.437 1.537 4.503 1.00 0.00 H new ATOM 0 HA CYS A 35 3.960 2.516 1.736 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.749 3.999 4.369 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.364 4.620 2.776 1.00 0.00 H new ATOM 520 N ARG A 36 6.345 3.379 1.620 1.00 0.00 N ATOM 521 CA ARG A 36 7.764 3.795 1.569 1.00 0.00 C ATOM 522 C ARG A 36 8.308 3.790 0.125 1.00 0.00 C ATOM 523 O ARG A 36 9.353 4.371 -0.146 1.00 0.00 O ATOM 524 CB ARG A 36 8.623 2.846 2.414 1.00 0.00 C ATOM 525 CG ARG A 36 9.985 3.376 2.782 1.00 0.00 C ATOM 526 CD ARG A 36 10.733 2.376 3.639 1.00 0.00 C ATOM 527 NE ARG A 36 11.066 1.153 2.898 1.00 0.00 N ATOM 528 CZ ARG A 36 10.693 -0.095 3.228 1.00 0.00 C ATOM 529 NH1 ARG A 36 9.873 -0.320 4.253 1.00 0.00 N ATOM 530 NH2 ARG A 36 11.130 -1.115 2.517 1.00 0.00 N ATOM 0 H ARG A 36 5.907 3.251 0.708 1.00 0.00 H new ATOM 0 HA ARG A 36 7.816 4.810 1.963 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.082 2.610 3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.749 1.911 1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.556 3.587 1.878 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.881 4.318 3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.649 2.833 4.013 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.127 2.119 4.508 1.00 0.00 H new ATOM 0 HE ARG A 36 11.632 1.260 2.056 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.517 0.462 4.803 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.601 -1.274 4.488 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.748 -0.955 1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.850 -2.065 2.762 1.00 0.00 H new ATOM 544 N ARG A 37 7.622 3.133 -0.788 1.00 0.00 N ATOM 545 CA ARG A 37 8.104 3.054 -2.152 1.00 0.00 C ATOM 546 C ARG A 37 7.245 3.904 -3.062 1.00 0.00 C ATOM 547 O ARG A 37 7.412 5.136 -3.040 1.00 0.00 O ATOM 548 CB ARG A 37 8.150 1.597 -2.637 1.00 0.00 C ATOM 549 CG ARG A 37 9.156 0.734 -1.909 1.00 0.00 C ATOM 550 CD ARG A 37 9.121 -0.705 -2.416 1.00 0.00 C ATOM 551 NE ARG A 37 9.322 -0.803 -3.870 1.00 0.00 N ATOM 552 CZ ARG A 37 9.003 -1.876 -4.618 1.00 0.00 C ATOM 553 NH1 ARG A 37 8.492 -2.975 -4.049 1.00 0.00 N ATOM 554 NH2 ARG A 37 9.190 -1.844 -5.929 1.00 0.00 N ATOM 555 OXT ARG A 37 6.400 3.356 -3.795 1.00 0.00 O ATOM 0 H ARG A 37 6.740 2.651 -0.614 1.00 0.00 H new ATOM 0 HA ARG A 37 9.122 3.442 -2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.160 1.156 -2.523 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.383 1.587 -3.702 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.156 1.145 -2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.946 0.750 -0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.893 -1.283 -1.908 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.163 -1.154 -2.155 1.00 0.00 H new ATOM 0 HE ARG A 37 9.733 0.000 -4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.341 -3.004 -3.041 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.253 -3.783 -4.624 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.575 -1.008 -6.369 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.949 -2.655 -6.498 1.00 0.00 H new TER 569 ARG A 37