USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 261 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 24 GLN : amide:sc= -2.3 K(o=-5.9,f=0.48) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -176:sc= -3.58! (180deg=-1.79!) USER MOD Single : A 1 ASP N :NH3+ -162:sc= 0 (180deg=-0.559) USER MOD Single : A 2 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.016) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.44) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0719 X(o=-0.072,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 72:sc= -1.02! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -142:sc= 0.11 (180deg=-1.46) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -11.410 4.418 1.215 1.00 0.00 N ATOM 2 CA ASP A 1 -10.463 5.551 1.390 1.00 0.00 C ATOM 3 C ASP A 1 -9.040 5.143 1.018 1.00 0.00 C ATOM 4 O ASP A 1 -8.233 4.806 1.884 1.00 0.00 O ATOM 5 CB ASP A 1 -10.516 6.014 2.849 1.00 0.00 C ATOM 6 CG ASP A 1 -11.911 5.924 3.436 1.00 0.00 C ATOM 7 OD1 ASP A 1 -12.746 6.796 3.119 1.00 0.00 O ATOM 8 OD2 ASP A 1 -12.168 4.980 4.214 1.00 0.00 O ATOM 0 H1 ASP A 1 -12.383 4.782 1.174 1.00 0.00 H new ATOM 0 H2 ASP A 1 -11.191 3.916 0.331 1.00 0.00 H new ATOM 0 H3 ASP A 1 -11.319 3.762 2.017 1.00 0.00 H new ATOM 0 HA ASP A 1 -10.755 6.366 0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.835 5.406 3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -10.164 7.044 2.913 1.00 0.00 H new ATOM 15 N HIS A 2 -8.741 5.176 -0.279 1.00 0.00 N ATOM 16 CA HIS A 2 -7.415 4.811 -0.768 1.00 0.00 C ATOM 17 C HIS A 2 -6.350 5.723 -0.168 1.00 0.00 C ATOM 18 O HIS A 2 -6.264 6.903 -0.509 1.00 0.00 O ATOM 19 CB HIS A 2 -7.375 4.883 -2.300 1.00 0.00 C ATOM 20 CG HIS A 2 -5.991 4.946 -2.877 1.00 0.00 C ATOM 21 ND1 HIS A 2 -5.581 5.941 -3.741 1.00 0.00 N ATOM 22 CD2 HIS A 2 -4.920 4.130 -2.715 1.00 0.00 C ATOM 23 CE1 HIS A 2 -4.323 5.734 -4.086 1.00 0.00 C ATOM 24 NE2 HIS A 2 -3.899 4.643 -3.477 1.00 0.00 N ATOM 0 H HIS A 2 -9.399 5.451 -1.009 1.00 0.00 H new ATOM 0 HA HIS A 2 -7.204 3.787 -0.459 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -7.887 4.011 -2.707 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -7.933 5.761 -2.626 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -4.878 3.242 -2.101 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -3.741 6.352 -4.753 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -2.964 4.245 -3.559 1.00 0.00 H new ATOM 33 N TYR A 3 -5.541 5.166 0.728 1.00 0.00 N ATOM 34 CA TYR A 3 -4.480 5.923 1.378 1.00 0.00 C ATOM 35 C TYR A 3 -3.530 6.517 0.345 1.00 0.00 C ATOM 36 O TYR A 3 -3.458 6.043 -0.788 1.00 0.00 O ATOM 37 CB TYR A 3 -3.707 5.024 2.342 1.00 0.00 C ATOM 38 CG TYR A 3 -3.087 5.772 3.499 1.00 0.00 C ATOM 39 CD1 TYR A 3 -3.863 6.199 4.568 1.00 0.00 C ATOM 40 CD2 TYR A 3 -1.727 6.050 3.522 1.00 0.00 C ATOM 41 CE1 TYR A 3 -3.301 6.884 5.628 1.00 0.00 C ATOM 42 CE2 TYR A 3 -1.157 6.734 4.578 1.00 0.00 C ATOM 43 CZ TYR A 3 -1.948 7.149 5.628 1.00 0.00 C ATOM 44 OH TYR A 3 -1.384 7.831 6.683 1.00 0.00 O ATOM 0 H TYR A 3 -5.601 4.191 1.020 1.00 0.00 H new ATOM 0 HA TYR A 3 -4.935 6.739 1.939 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.380 4.260 2.732 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.921 4.506 1.792 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -4.923 5.992 4.571 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -1.105 5.726 2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.918 7.210 6.452 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -0.097 6.943 4.581 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.422 7.934 6.529 1.00 0.00 H new ATOM 54 N ASN A 4 -2.801 7.556 0.740 1.00 0.00 N ATOM 55 CA ASN A 4 -1.859 8.208 -0.162 1.00 0.00 C ATOM 56 C ASN A 4 -0.663 7.308 -0.438 1.00 0.00 C ATOM 57 O ASN A 4 0.395 7.446 0.177 1.00 0.00 O ATOM 58 CB ASN A 4 -1.391 9.546 0.414 1.00 0.00 C ATOM 59 CG ASN A 4 -2.317 10.070 1.494 1.00 0.00 C ATOM 60 OD1 ASN A 4 -1.948 10.136 2.666 1.00 0.00 O ATOM 61 ND2 ASN A 4 -3.529 10.444 1.101 1.00 0.00 N ATOM 0 H ASN A 4 -2.844 7.963 1.674 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.375 8.398 -1.103 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -0.388 9.430 0.825 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -1.323 10.280 -0.389 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.198 10.804 1.782 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.791 10.372 0.118 1.00 0.00 H new ATOM 68 N CYS A 5 -0.844 6.392 -1.378 1.00 0.00 N ATOM 69 CA CYS A 5 0.209 5.462 -1.762 1.00 0.00 C ATOM 70 C CYS A 5 0.874 5.921 -3.051 1.00 0.00 C ATOM 71 O CYS A 5 2.003 6.411 -3.042 1.00 0.00 O ATOM 72 CB CYS A 5 -0.365 4.058 -1.947 1.00 0.00 C ATOM 73 SG CYS A 5 0.593 2.755 -1.112 1.00 0.00 S ATOM 0 H CYS A 5 -1.717 6.272 -1.892 1.00 0.00 H new ATOM 0 HA CYS A 5 0.955 5.438 -0.967 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.388 4.042 -1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.414 3.833 -3.012 1.00 0.00 H new ATOM 78 N VAL A 6 0.153 5.765 -4.157 1.00 0.00 N ATOM 79 CA VAL A 6 0.647 6.167 -5.467 1.00 0.00 C ATOM 80 C VAL A 6 1.093 7.628 -5.466 1.00 0.00 C ATOM 81 O VAL A 6 1.822 8.065 -6.357 1.00 0.00 O ATOM 82 CB VAL A 6 -0.428 5.957 -6.552 1.00 0.00 C ATOM 83 CG1 VAL A 6 -1.542 6.985 -6.418 1.00 0.00 C ATOM 84 CG2 VAL A 6 0.195 6.008 -7.937 1.00 0.00 C ATOM 0 H VAL A 6 -0.783 5.359 -4.170 1.00 0.00 H new ATOM 0 HA VAL A 6 1.508 5.538 -5.694 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.867 4.969 -6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.288 6.816 -7.194 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.010 6.889 -5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.127 7.987 -6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.579 5.858 -8.690 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.665 6.980 -8.089 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.946 5.223 -8.027 1.00 0.00 H new ATOM 94 N SER A 7 0.642 8.372 -4.457 1.00 0.00 N ATOM 95 CA SER A 7 0.979 9.787 -4.319 1.00 0.00 C ATOM 96 C SER A 7 2.466 10.033 -4.563 1.00 0.00 C ATOM 97 O SER A 7 2.839 10.927 -5.321 1.00 0.00 O ATOM 98 CB SER A 7 0.591 10.288 -2.927 1.00 0.00 C ATOM 99 OG SER A 7 -0.092 11.527 -3.001 1.00 0.00 O ATOM 0 H SER A 7 0.037 8.014 -3.718 1.00 0.00 H new ATOM 0 HA SER A 7 0.417 10.338 -5.073 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.042 9.549 -2.435 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.486 10.399 -2.315 1.00 0.00 H new ATOM 0 HG SER A 7 -0.330 11.824 -2.098 1.00 0.00 H new ATOM 105 N SER A 8 3.310 9.235 -3.916 1.00 0.00 N ATOM 106 CA SER A 8 4.754 9.371 -4.067 1.00 0.00 C ATOM 107 C SER A 8 5.352 8.133 -4.727 1.00 0.00 C ATOM 108 O SER A 8 6.548 8.089 -5.018 1.00 0.00 O ATOM 109 CB SER A 8 5.411 9.609 -2.706 1.00 0.00 C ATOM 110 OG SER A 8 5.069 8.586 -1.788 1.00 0.00 O ATOM 0 H SER A 8 3.019 8.489 -3.284 1.00 0.00 H new ATOM 0 HA SER A 8 4.947 10.230 -4.709 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.494 9.649 -2.824 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.097 10.575 -2.311 1.00 0.00 H new ATOM 0 HG SER A 8 5.503 8.761 -0.927 1.00 0.00 H new ATOM 116 N GLY A 9 4.512 7.130 -4.965 1.00 0.00 N ATOM 117 CA GLY A 9 4.977 5.906 -5.592 1.00 0.00 C ATOM 118 C GLY A 9 4.686 4.678 -4.753 1.00 0.00 C ATOM 119 O GLY A 9 5.586 3.892 -4.457 1.00 0.00 O ATOM 0 H GLY A 9 3.518 7.143 -4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.501 5.797 -6.567 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.051 5.976 -5.767 1.00 0.00 H new ATOM 123 N GLY A 10 3.424 4.513 -4.369 1.00 0.00 N ATOM 124 CA GLY A 10 3.036 3.371 -3.562 1.00 0.00 C ATOM 125 C GLY A 10 2.461 2.241 -4.395 1.00 0.00 C ATOM 126 O GLY A 10 2.214 2.406 -5.589 1.00 0.00 O ATOM 0 H GLY A 10 2.663 5.150 -4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.904 3.007 -3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.299 3.686 -2.823 1.00 0.00 H new ATOM 130 N GLN A 11 2.249 1.091 -3.763 1.00 0.00 N ATOM 131 CA GLN A 11 1.700 -0.071 -4.452 1.00 0.00 C ATOM 132 C GLN A 11 0.863 -0.921 -3.503 1.00 0.00 C ATOM 133 O GLN A 11 1.167 -1.024 -2.314 1.00 0.00 O ATOM 134 CB GLN A 11 2.829 -0.914 -5.050 1.00 0.00 C ATOM 135 CG GLN A 11 2.340 -2.052 -5.931 1.00 0.00 C ATOM 136 CD GLN A 11 1.972 -1.591 -7.327 1.00 0.00 C ATOM 137 OE1 GLN A 11 0.820 -1.704 -7.747 1.00 0.00 O ATOM 138 NE2 GLN A 11 2.952 -1.068 -8.056 1.00 0.00 N ATOM 0 H GLN A 11 2.449 0.939 -2.774 1.00 0.00 H new ATOM 0 HA GLN A 11 1.055 0.284 -5.256 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.482 -0.267 -5.636 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.431 -1.326 -4.240 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.116 -2.815 -5.997 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.472 -2.519 -5.466 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.892 -0.994 -7.668 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.764 -0.741 -9.004 1.00 0.00 H new ATOM 147 N CYS A 12 -0.193 -1.527 -4.035 1.00 0.00 N ATOM 148 CA CYS A 12 -1.077 -2.367 -3.236 1.00 0.00 C ATOM 149 C CYS A 12 -0.765 -3.846 -3.446 1.00 0.00 C ATOM 150 O CYS A 12 -1.012 -4.395 -4.520 1.00 0.00 O ATOM 151 CB CYS A 12 -2.537 -2.085 -3.591 1.00 0.00 C ATOM 152 SG CYS A 12 -2.823 -0.439 -4.321 1.00 0.00 S ATOM 0 H CYS A 12 -0.458 -1.452 -5.017 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.912 -2.128 -2.185 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.883 -2.846 -4.291 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.144 -2.181 -2.690 1.00 0.00 H new ATOM 157 N LEU A 13 -0.222 -4.485 -2.413 1.00 0.00 N ATOM 158 CA LEU A 13 0.122 -5.902 -2.483 1.00 0.00 C ATOM 159 C LEU A 13 -0.644 -6.701 -1.433 1.00 0.00 C ATOM 160 O LEU A 13 -0.936 -6.198 -0.348 1.00 0.00 O ATOM 161 CB LEU A 13 1.627 -6.099 -2.287 1.00 0.00 C ATOM 162 CG LEU A 13 2.518 -5.248 -3.193 1.00 0.00 C ATOM 163 CD1 LEU A 13 3.899 -5.081 -2.576 1.00 0.00 C ATOM 164 CD2 LEU A 13 2.621 -5.873 -4.577 1.00 0.00 C ATOM 0 H LEU A 13 -0.011 -4.044 -1.518 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.159 -6.266 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.874 -5.877 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.865 -7.150 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 13 2.066 -4.261 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.520 -4.473 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.808 -4.590 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.360 -6.060 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.259 -5.255 -5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.051 -6.871 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.628 -5.941 -5.020 1.00 0.00 H new ATOM 176 N TYR A 14 -0.965 -7.948 -1.763 1.00 0.00 N ATOM 177 CA TYR A 14 -1.696 -8.818 -0.848 1.00 0.00 C ATOM 178 C TYR A 14 -0.738 -9.584 0.059 1.00 0.00 C ATOM 179 O TYR A 14 -1.119 -10.573 0.687 1.00 0.00 O ATOM 180 CB TYR A 14 -2.571 -9.800 -1.631 1.00 0.00 C ATOM 181 CG TYR A 14 -3.089 -9.245 -2.940 1.00 0.00 C ATOM 182 CD1 TYR A 14 -4.195 -8.404 -2.970 1.00 0.00 C ATOM 183 CD2 TYR A 14 -2.471 -9.559 -4.144 1.00 0.00 C ATOM 184 CE1 TYR A 14 -4.670 -7.893 -4.163 1.00 0.00 C ATOM 185 CE2 TYR A 14 -2.940 -9.052 -5.341 1.00 0.00 C ATOM 186 CZ TYR A 14 -4.040 -8.219 -5.345 1.00 0.00 C ATOM 187 OH TYR A 14 -4.508 -7.710 -6.535 1.00 0.00 O ATOM 0 H TYR A 14 -0.730 -8.379 -2.657 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.334 -8.191 -0.225 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.996 -10.704 -1.832 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.418 -10.092 -1.010 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.691 -8.146 -2.046 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.610 -10.210 -4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.531 -7.241 -4.169 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.448 -9.306 -6.268 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.951 -8.037 -7.272 1.00 0.00 H new ATOM 197 N SER A 15 0.506 -9.120 0.124 1.00 0.00 N ATOM 198 CA SER A 15 1.519 -9.760 0.956 1.00 0.00 C ATOM 199 C SER A 15 2.389 -8.718 1.652 1.00 0.00 C ATOM 200 O SER A 15 2.476 -7.572 1.208 1.00 0.00 O ATOM 201 CB SER A 15 2.392 -10.690 0.112 1.00 0.00 C ATOM 202 OG SER A 15 3.448 -9.977 -0.509 1.00 0.00 O ATOM 0 H SER A 15 0.837 -8.303 -0.390 1.00 0.00 H new ATOM 0 HA SER A 15 1.008 -10.348 1.718 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.803 -11.479 0.742 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.781 -11.176 -0.649 1.00 0.00 H new ATOM 0 HG SER A 15 3.992 -10.595 -1.041 1.00 0.00 H new ATOM 208 N ALA A 16 3.029 -9.126 2.745 1.00 0.00 N ATOM 209 CA ALA A 16 3.893 -8.235 3.512 1.00 0.00 C ATOM 210 C ALA A 16 4.872 -7.495 2.607 1.00 0.00 C ATOM 211 O ALA A 16 5.404 -8.066 1.654 1.00 0.00 O ATOM 212 CB ALA A 16 4.647 -9.021 4.573 1.00 0.00 C ATOM 0 H ALA A 16 2.964 -10.072 3.120 1.00 0.00 H new ATOM 0 HA ALA A 16 3.262 -7.492 3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.289 -8.346 5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.935 -9.496 5.248 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.258 -9.785 4.094 1.00 0.00 H new ATOM 218 N CYS A 17 5.098 -6.219 2.915 1.00 0.00 N ATOM 219 CA CYS A 17 6.008 -5.382 2.139 1.00 0.00 C ATOM 220 C CYS A 17 7.321 -6.109 1.846 1.00 0.00 C ATOM 221 O CYS A 17 8.005 -6.565 2.763 1.00 0.00 O ATOM 222 CB CYS A 17 6.287 -4.075 2.883 1.00 0.00 C ATOM 223 SG CYS A 17 6.263 -2.599 1.817 1.00 0.00 S ATOM 0 H CYS A 17 4.660 -5.741 3.702 1.00 0.00 H new ATOM 0 HA CYS A 17 5.527 -5.158 1.187 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.546 -3.953 3.673 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.261 -4.145 3.368 1.00 0.00 H new ATOM 228 N PRO A 18 7.690 -6.229 0.556 1.00 0.00 N ATOM 229 CA PRO A 18 8.913 -6.901 0.143 1.00 0.00 C ATOM 230 C PRO A 18 10.111 -5.956 0.077 1.00 0.00 C ATOM 231 O PRO A 18 10.994 -6.003 0.935 1.00 0.00 O ATOM 232 CB PRO A 18 8.556 -7.426 -1.247 1.00 0.00 C ATOM 233 CG PRO A 18 7.485 -6.515 -1.768 1.00 0.00 C ATOM 234 CD PRO A 18 6.942 -5.722 -0.603 1.00 0.00 C ATOM 0 HA PRO A 18 9.218 -7.676 0.846 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.427 -7.420 -1.902 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.202 -8.456 -1.197 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.889 -5.847 -2.529 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.690 -7.092 -2.240 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.099 -4.652 -0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.869 -5.874 -0.483 1.00 0.00 H new ATOM 242 N ILE A 19 10.139 -5.102 -0.946 1.00 0.00 N ATOM 243 CA ILE A 19 11.230 -4.148 -1.125 1.00 0.00 C ATOM 244 C ILE A 19 11.406 -3.254 0.110 1.00 0.00 C ATOM 245 O ILE A 19 10.756 -3.462 1.134 1.00 0.00 O ATOM 246 CB ILE A 19 11.013 -3.289 -2.390 1.00 0.00 C ATOM 247 CG1 ILE A 19 12.357 -2.871 -2.992 1.00 0.00 C ATOM 248 CG2 ILE A 19 10.155 -2.069 -2.089 1.00 0.00 C ATOM 249 CD1 ILE A 19 12.234 -2.204 -4.346 1.00 0.00 C ATOM 0 H ILE A 19 9.416 -5.052 -1.664 1.00 0.00 H new ATOM 0 HA ILE A 19 12.147 -4.724 -1.253 1.00 0.00 H new ATOM 0 HB ILE A 19 10.480 -3.897 -3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 19 12.857 -2.189 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 19 12.993 -3.751 -3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 19 10.021 -1.485 -3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.182 -2.391 -1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 19 10.647 -1.456 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 19 13.225 -1.935 -4.711 1.00 0.00 H new ATOM 0 HD12 ILE A 19 11.763 -2.891 -5.049 1.00 0.00 H new ATOM 0 HD13 ILE A 19 11.625 -1.305 -4.255 1.00 0.00 H new ATOM 261 N PHE A 20 12.295 -2.267 0.012 1.00 0.00 N ATOM 262 CA PHE A 20 12.563 -1.358 1.126 1.00 0.00 C ATOM 263 C PHE A 20 11.392 -0.412 1.404 1.00 0.00 C ATOM 264 O PHE A 20 11.561 0.604 2.079 1.00 0.00 O ATOM 265 CB PHE A 20 13.833 -0.546 0.852 1.00 0.00 C ATOM 266 CG PHE A 20 13.728 0.361 -0.342 1.00 0.00 C ATOM 267 CD1 PHE A 20 13.999 -0.115 -1.615 1.00 0.00 C ATOM 268 CD2 PHE A 20 13.361 1.689 -0.192 1.00 0.00 C ATOM 269 CE1 PHE A 20 13.905 0.716 -2.715 1.00 0.00 C ATOM 270 CE2 PHE A 20 13.265 2.524 -1.288 1.00 0.00 C ATOM 271 CZ PHE A 20 13.537 2.037 -2.551 1.00 0.00 C ATOM 0 H PHE A 20 12.842 -2.076 -0.827 1.00 0.00 H new ATOM 0 HA PHE A 20 12.703 -1.974 2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 20 14.067 0.053 1.732 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.667 -1.232 0.703 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.287 -1.147 -1.749 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.148 2.076 0.794 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.119 0.333 -3.702 1.00 0.00 H new ATOM 0 HE2 PHE A 20 12.977 3.557 -1.157 1.00 0.00 H new ATOM 0 HZ PHE A 20 13.462 2.688 -3.409 1.00 0.00 H new ATOM 281 N THR A 21 10.207 -0.745 0.898 1.00 0.00 N ATOM 282 CA THR A 21 9.030 0.090 1.122 1.00 0.00 C ATOM 283 C THR A 21 8.514 -0.078 2.546 1.00 0.00 C ATOM 284 O THR A 21 9.134 -0.758 3.364 1.00 0.00 O ATOM 285 CB THR A 21 7.889 -0.244 0.140 1.00 0.00 C ATOM 286 OG1 THR A 21 7.972 -1.613 -0.266 1.00 0.00 O ATOM 287 CG2 THR A 21 7.943 0.658 -1.084 1.00 0.00 C ATOM 0 H THR A 21 10.037 -1.579 0.336 1.00 0.00 H new ATOM 0 HA THR A 21 9.343 1.121 0.957 1.00 0.00 H new ATOM 0 HB THR A 21 6.942 -0.076 0.653 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.705 -2.192 0.478 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.128 0.402 -1.761 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.844 1.698 -0.774 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.896 0.521 -1.595 1.00 0.00 H new ATOM 295 N LYS A 22 7.375 0.541 2.836 1.00 0.00 N ATOM 296 CA LYS A 22 6.778 0.453 4.162 1.00 0.00 C ATOM 297 C LYS A 22 5.257 0.496 4.080 1.00 0.00 C ATOM 298 O LYS A 22 4.682 1.397 3.471 1.00 0.00 O ATOM 299 CB LYS A 22 7.285 1.587 5.052 1.00 0.00 C ATOM 300 CG LYS A 22 7.101 2.968 4.443 1.00 0.00 C ATOM 301 CD LYS A 22 8.214 3.916 4.861 1.00 0.00 C ATOM 302 CE LYS A 22 8.068 4.344 6.313 1.00 0.00 C ATOM 303 NZ LYS A 22 9.252 5.112 6.788 1.00 0.00 N ATOM 0 H LYS A 22 6.848 1.108 2.172 1.00 0.00 H new ATOM 0 HA LYS A 22 7.073 -0.501 4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.763 1.548 6.008 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.343 1.429 5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.080 2.887 3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.139 3.377 4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.179 3.430 4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.203 4.796 4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.172 4.954 6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.932 3.462 6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.113 5.385 7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.104 4.521 6.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.367 5.967 6.207 1.00 0.00 H new ATOM 317 N ILE A 23 4.613 -0.485 4.702 1.00 0.00 N ATOM 318 CA ILE A 23 3.157 -0.560 4.705 1.00 0.00 C ATOM 319 C ILE A 23 2.573 0.366 5.767 1.00 0.00 C ATOM 320 O ILE A 23 2.856 0.222 6.957 1.00 0.00 O ATOM 321 CB ILE A 23 2.656 -2.013 4.930 1.00 0.00 C ATOM 322 CG1 ILE A 23 1.317 -2.024 5.686 1.00 0.00 C ATOM 323 CG2 ILE A 23 3.704 -2.833 5.675 1.00 0.00 C ATOM 324 CD1 ILE A 23 0.888 -3.399 6.159 1.00 0.00 C ATOM 0 H ILE A 23 5.076 -1.239 5.210 1.00 0.00 H new ATOM 0 HA ILE A 23 2.814 -0.236 3.723 1.00 0.00 H new ATOM 0 HB ILE A 23 2.494 -2.470 3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.393 -1.362 6.548 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.542 -1.616 5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.334 -3.848 5.823 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.624 -2.864 5.092 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.903 -2.375 6.644 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.065 -3.323 6.683 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.778 -4.061 5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.642 -3.803 6.834 1.00 0.00 H new ATOM 336 N GLN A 24 1.762 1.320 5.324 1.00 0.00 N ATOM 337 CA GLN A 24 1.136 2.276 6.229 1.00 0.00 C ATOM 338 C GLN A 24 -0.269 1.822 6.607 1.00 0.00 C ATOM 339 O GLN A 24 -0.644 1.837 7.780 1.00 0.00 O ATOM 340 CB GLN A 24 1.081 3.657 5.576 1.00 0.00 C ATOM 341 CG GLN A 24 1.622 4.770 6.459 1.00 0.00 C ATOM 342 CD GLN A 24 3.076 4.560 6.837 1.00 0.00 C ATOM 343 OE1 GLN A 24 3.382 3.931 7.850 1.00 0.00 O ATOM 344 NE2 GLN A 24 3.982 5.090 6.023 1.00 0.00 N ATOM 0 H GLN A 24 1.522 1.452 4.341 1.00 0.00 H new ATOM 0 HA GLN A 24 1.736 2.333 7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.650 3.633 4.647 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.048 3.884 5.312 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.519 5.723 5.940 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.020 4.834 7.366 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.684 5.604 5.194 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.976 4.983 6.227 1.00 0.00 H new ATOM 353 N GLY A 25 -1.039 1.415 5.603 1.00 0.00 N ATOM 354 CA GLY A 25 -2.394 0.957 5.842 1.00 0.00 C ATOM 355 C GLY A 25 -2.852 -0.046 4.802 1.00 0.00 C ATOM 356 O GLY A 25 -2.174 -1.043 4.553 1.00 0.00 O ATOM 0 H GLY A 25 -0.747 1.394 4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.453 0.504 6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.070 1.812 5.842 1.00 0.00 H new ATOM 360 N THR A 26 -4.001 0.219 4.189 1.00 0.00 N ATOM 361 CA THR A 26 -4.542 -0.670 3.168 1.00 0.00 C ATOM 362 C THR A 26 -4.972 0.110 1.931 1.00 0.00 C ATOM 363 O THR A 26 -5.560 1.187 2.036 1.00 0.00 O ATOM 364 CB THR A 26 -5.744 -1.474 3.698 1.00 0.00 C ATOM 365 OG1 THR A 26 -6.650 -0.604 4.387 1.00 0.00 O ATOM 366 CG2 THR A 26 -5.286 -2.580 4.636 1.00 0.00 C ATOM 0 H THR A 26 -4.574 1.040 4.381 1.00 0.00 H new ATOM 0 HA THR A 26 -3.744 -1.362 2.899 1.00 0.00 H new ATOM 0 HB THR A 26 -6.251 -1.928 2.847 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.412 -1.122 4.719 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.153 -3.133 4.997 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.620 -3.257 4.102 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.756 -2.143 5.483 1.00 0.00 H new ATOM 374 N CYS A 27 -4.676 -0.443 0.760 1.00 0.00 N ATOM 375 CA CYS A 27 -5.030 0.197 -0.501 1.00 0.00 C ATOM 376 C CYS A 27 -6.535 0.126 -0.744 1.00 0.00 C ATOM 377 O CYS A 27 -7.269 1.061 -0.422 1.00 0.00 O ATOM 378 CB CYS A 27 -4.276 -0.463 -1.656 1.00 0.00 C ATOM 379 SG CYS A 27 -3.404 0.706 -2.746 1.00 0.00 S ATOM 0 H CYS A 27 -4.191 -1.335 0.658 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.744 1.247 -0.444 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.553 -1.168 -1.247 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.982 -1.041 -2.253 1.00 0.00 H new ATOM 384 N TYR A 28 -6.988 -0.988 -1.315 1.00 0.00 N ATOM 385 CA TYR A 28 -8.407 -1.182 -1.600 1.00 0.00 C ATOM 386 C TYR A 28 -9.238 -1.142 -0.319 1.00 0.00 C ATOM 387 O TYR A 28 -8.745 -0.761 0.743 1.00 0.00 O ATOM 388 CB TYR A 28 -8.628 -2.514 -2.325 1.00 0.00 C ATOM 389 CG TYR A 28 -7.636 -2.780 -3.436 1.00 0.00 C ATOM 390 CD1 TYR A 28 -7.369 -1.819 -4.404 1.00 0.00 C ATOM 391 CD2 TYR A 28 -6.967 -3.995 -3.517 1.00 0.00 C ATOM 392 CE1 TYR A 28 -6.465 -2.062 -5.420 1.00 0.00 C ATOM 393 CE2 TYR A 28 -6.061 -4.245 -4.529 1.00 0.00 C ATOM 394 CZ TYR A 28 -5.813 -3.276 -5.477 1.00 0.00 C ATOM 395 OH TYR A 28 -4.913 -3.523 -6.487 1.00 0.00 O ATOM 0 H TYR A 28 -6.393 -1.770 -1.589 1.00 0.00 H new ATOM 0 HA TYR A 28 -8.733 -0.366 -2.245 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.572 -3.325 -1.599 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.636 -2.527 -2.740 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.877 -0.867 -4.361 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.159 -4.757 -2.776 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.270 -1.305 -6.166 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.550 -5.195 -4.577 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.542 -4.424 -6.381 1.00 0.00 H new ATOM 405 N ARG A 29 -10.503 -1.542 -0.430 1.00 0.00 N ATOM 406 CA ARG A 29 -11.411 -1.557 0.714 1.00 0.00 C ATOM 407 C ARG A 29 -10.782 -2.272 1.907 1.00 0.00 C ATOM 408 O ARG A 29 -11.048 -1.929 3.059 1.00 0.00 O ATOM 409 CB ARG A 29 -12.728 -2.238 0.336 1.00 0.00 C ATOM 410 CG ARG A 29 -13.891 -1.867 1.243 1.00 0.00 C ATOM 411 CD ARG A 29 -14.596 -0.607 0.765 1.00 0.00 C ATOM 412 NE ARG A 29 -15.746 -0.274 1.601 1.00 0.00 N ATOM 413 CZ ARG A 29 -16.321 0.926 1.626 1.00 0.00 C ATOM 414 NH1 ARG A 29 -15.864 1.900 0.851 1.00 0.00 N ATOM 415 NH2 ARG A 29 -17.356 1.151 2.425 1.00 0.00 N ATOM 0 H ARG A 29 -10.923 -1.861 -1.303 1.00 0.00 H new ATOM 0 HA ARG A 29 -11.609 -0.524 0.999 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.981 -1.974 -0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.589 -3.319 0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -14.603 -2.692 1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.527 -1.717 2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.892 0.225 0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.924 -0.744 -0.265 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.131 -1.004 2.201 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.070 1.730 0.234 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.307 2.819 0.872 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -17.712 0.404 3.021 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.796 2.071 2.443 1.00 0.00 H new ATOM 429 N GLY A 30 -9.946 -3.266 1.622 1.00 0.00 N ATOM 430 CA GLY A 30 -9.292 -4.013 2.680 1.00 0.00 C ATOM 431 C GLY A 30 -8.842 -5.388 2.229 1.00 0.00 C ATOM 432 O GLY A 30 -8.907 -6.352 2.992 1.00 0.00 O ATOM 0 H GLY A 30 -9.710 -3.567 0.676 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.429 -3.451 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.975 -4.117 3.523 1.00 0.00 H new ATOM 436 N LYS A 31 -8.383 -5.479 0.984 1.00 0.00 N ATOM 437 CA LYS A 31 -7.917 -6.745 0.430 1.00 0.00 C ATOM 438 C LYS A 31 -6.416 -6.700 0.166 1.00 0.00 C ATOM 439 O LYS A 31 -5.801 -7.718 -0.152 1.00 0.00 O ATOM 440 CB LYS A 31 -8.666 -7.066 -0.865 1.00 0.00 C ATOM 441 CG LYS A 31 -10.049 -7.655 -0.637 1.00 0.00 C ATOM 442 CD LYS A 31 -11.097 -6.965 -1.495 1.00 0.00 C ATOM 443 CE LYS A 31 -11.055 -7.462 -2.931 1.00 0.00 C ATOM 444 NZ LYS A 31 -12.202 -8.359 -3.242 1.00 0.00 N ATOM 0 H LYS A 31 -8.324 -4.690 0.340 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.117 -7.530 1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.761 -6.155 -1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.074 -7.767 -1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.034 -8.721 -0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.318 -7.559 0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.087 -7.143 -1.076 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.932 -5.888 -1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.066 -6.610 -3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.120 -7.995 -3.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.137 -8.676 -4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.178 -9.185 -2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.094 -7.843 -3.102 1.00 0.00 H new ATOM 458 N ALA A 32 -5.833 -5.513 0.301 1.00 0.00 N ATOM 459 CA ALA A 32 -4.403 -5.331 0.078 1.00 0.00 C ATOM 460 C ALA A 32 -3.852 -4.192 0.925 1.00 0.00 C ATOM 461 O ALA A 32 -4.566 -3.245 1.257 1.00 0.00 O ATOM 462 CB ALA A 32 -4.127 -5.071 -1.395 1.00 0.00 C ATOM 0 H ALA A 32 -6.330 -4.662 0.564 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.898 -6.249 0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.056 -4.937 -1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.474 -5.919 -1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.653 -4.170 -1.710 1.00 0.00 H new ATOM 468 N LYS A 33 -2.574 -4.295 1.269 1.00 0.00 N ATOM 469 CA LYS A 33 -1.909 -3.279 2.075 1.00 0.00 C ATOM 470 C LYS A 33 -1.123 -2.318 1.191 1.00 0.00 C ATOM 471 O LYS A 33 -0.483 -2.732 0.224 1.00 0.00 O ATOM 472 CB LYS A 33 -0.973 -3.937 3.093 1.00 0.00 C ATOM 473 CG LYS A 33 -0.244 -5.158 2.551 1.00 0.00 C ATOM 474 CD LYS A 33 1.264 -5.024 2.693 1.00 0.00 C ATOM 475 CE LYS A 33 1.792 -3.803 1.956 1.00 0.00 C ATOM 476 NZ LYS A 33 2.415 -4.164 0.652 1.00 0.00 N ATOM 0 H LYS A 33 -1.975 -5.076 1.001 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.673 -2.714 2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.238 -3.204 3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.551 -4.229 3.970 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.581 -6.048 3.082 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.499 -5.297 1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.525 -4.953 3.749 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.747 -5.921 2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.975 -3.101 1.786 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.526 -3.293 2.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.253 -3.569 0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.698 -5.165 0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.729 -4.010 -0.115 1.00 0.00 H new ATOM 490 N CYS A 34 -1.176 -1.034 1.526 1.00 0.00 N ATOM 491 CA CYS A 34 -0.466 -0.015 0.759 1.00 0.00 C ATOM 492 C CYS A 34 0.962 0.156 1.271 1.00 0.00 C ATOM 493 O CYS A 34 1.191 0.238 2.478 1.00 0.00 O ATOM 494 CB CYS A 34 -1.212 1.320 0.831 1.00 0.00 C ATOM 495 SG CYS A 34 -0.126 2.778 0.782 1.00 0.00 S ATOM 0 H CYS A 34 -1.702 -0.673 2.322 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.422 -0.342 -0.280 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.916 1.376 0.001 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.799 1.348 1.749 1.00 0.00 H new ATOM 500 N CYS A 35 1.919 0.210 0.346 1.00 0.00 N ATOM 501 CA CYS A 35 3.326 0.371 0.707 1.00 0.00 C ATOM 502 C CYS A 35 3.981 1.481 -0.110 1.00 0.00 C ATOM 503 O CYS A 35 3.940 1.464 -1.340 1.00 0.00 O ATOM 504 CB CYS A 35 4.086 -0.941 0.490 1.00 0.00 C ATOM 505 SG CYS A 35 4.374 -1.893 2.015 1.00 0.00 S ATOM 0 H CYS A 35 1.746 0.145 -0.657 1.00 0.00 H new ATOM 0 HA CYS A 35 3.369 0.644 1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.528 -1.560 -0.212 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.047 -0.719 0.026 1.00 0.00 H new ATOM 510 N LYS A 36 4.589 2.440 0.583 1.00 0.00 N ATOM 511 CA LYS A 36 5.261 3.556 -0.078 1.00 0.00 C ATOM 512 C LYS A 36 6.569 3.897 0.632 1.00 0.00 C ATOM 513 O LYS A 36 7.285 2.956 1.034 1.00 0.00 O ATOM 514 CB LYS A 36 4.352 4.790 -0.121 1.00 0.00 C ATOM 515 CG LYS A 36 2.954 4.549 0.423 1.00 0.00 C ATOM 516 CD LYS A 36 2.743 5.253 1.753 1.00 0.00 C ATOM 517 CE LYS A 36 3.395 4.490 2.894 1.00 0.00 C ATOM 518 NZ LYS A 36 4.687 5.106 3.307 1.00 0.00 N ATOM 519 OXT LYS A 36 6.867 5.102 0.778 1.00 0.00 O ATOM 0 H LYS A 36 4.630 2.467 1.602 1.00 0.00 H new ATOM 0 HA LYS A 36 5.487 3.252 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.819 5.592 0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.275 5.135 -1.152 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.216 4.902 -0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.791 3.478 0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.157 6.260 1.703 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.675 5.357 1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.717 4.463 3.747 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.566 3.457 2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.133 4.519 4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.319 5.171 2.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.512 6.059 3.685 1.00 0.00 H new TER 533 LYS A 36