USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=7 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 Single : A 1 GLY N :NH3+ -176:sc= 1.23 (180deg=1.1) USER MOD Single : A 7 ASN : amide:sc= -1.7 K(o=-1.7,f=-3.2) USER MOD Single : A 9 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.82) USER MOD Single : A 12 HIS : no HE2:sc= 0.0764! C(o=0.076!,f=-5.8!) USER MOD Single : A 14 HIS : no HD1:sc= -0.0181 X(o=-0.018,f=-0.16) USER MOD Single : A 17 SER OG : rot 67:sc= 1.25 USER MOD Single : A 21 LYS NZ :NH3+ -154:sc= 1.22 (180deg=0.861) USER MOD Single : A 32 THR OG1 : rot 93:sc= 0.0984 USER MOD Single : A 34 THR OG1 : rot -150:sc= -0.94 USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= 0.277 (180deg=0.265) USER MOD Single : A 38 GLN : amide:sc= -0.299 K(o=-0.3,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.973 1.679 -0.866 1.00 0.00 N ATOM 2 CA GLY A 1 -9.526 0.925 0.330 1.00 0.00 C ATOM 3 C GLY A 1 -9.012 1.843 1.409 1.00 0.00 C ATOM 4 O GLY A 1 -9.507 2.958 1.555 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.382 1.020 -1.559 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.691 2.378 -0.587 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.160 2.168 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.356 0.335 0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.742 0.223 0.046 1.00 0.00 H new ATOM 10 N PHE A 2 -8.015 1.381 2.159 1.00 0.00 N ATOM 11 CA PHE A 2 -7.431 2.179 3.228 1.00 0.00 C ATOM 12 C PHE A 2 -6.683 3.367 2.638 1.00 0.00 C ATOM 13 O PHE A 2 -6.848 4.504 3.075 1.00 0.00 O ATOM 14 CB PHE A 2 -6.483 1.321 4.075 1.00 0.00 C ATOM 15 CG PHE A 2 -5.807 2.078 5.185 1.00 0.00 C ATOM 16 CD1 PHE A 2 -6.504 2.421 6.332 1.00 0.00 C ATOM 17 CD2 PHE A 2 -4.476 2.447 5.080 1.00 0.00 C ATOM 18 CE1 PHE A 2 -5.887 3.119 7.353 1.00 0.00 C ATOM 19 CE2 PHE A 2 -3.853 3.145 6.097 1.00 0.00 C ATOM 20 CZ PHE A 2 -4.560 3.481 7.235 1.00 0.00 C ATOM 0 H PHE A 2 -7.596 0.458 2.045 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.230 2.548 3.870 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.045 0.491 4.504 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -5.721 0.889 3.426 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -7.542 2.140 6.430 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -3.918 2.186 4.193 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -6.442 3.381 8.242 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -2.815 3.427 6.002 1.00 0.00 H new ATOM 0 HZ PHE A 2 -4.075 4.026 8.031 1.00 0.00 H new ATOM 30 N GLY A 3 -5.865 3.089 1.635 1.00 0.00 N ATOM 31 CA GLY A 3 -5.114 4.138 0.990 1.00 0.00 C ATOM 32 C GLY A 3 -5.729 4.547 -0.331 1.00 0.00 C ATOM 33 O GLY A 3 -6.534 5.476 -0.390 1.00 0.00 O ATOM 0 H GLY A 3 -5.710 2.154 1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -5.062 5.004 1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.090 3.802 0.825 1.00 0.00 H new ATOM 37 N CYS A 4 -5.361 3.839 -1.387 1.00 0.00 N ATOM 38 CA CYS A 4 -5.861 4.126 -2.727 1.00 0.00 C ATOM 39 C CYS A 4 -7.386 4.079 -2.786 1.00 0.00 C ATOM 40 O CYS A 4 -8.035 3.335 -2.038 1.00 0.00 O ATOM 41 CB CYS A 4 -5.269 3.129 -3.722 1.00 0.00 C ATOM 42 SG CYS A 4 -4.411 1.731 -2.934 1.00 0.00 S ATOM 0 H CYS A 4 -4.712 3.054 -1.343 1.00 0.00 H new ATOM 0 HA CYS A 4 -5.552 5.138 -2.990 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -6.068 2.743 -4.355 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.570 3.652 -4.374 1.00 0.00 H new ATOM 47 N PRO A 5 -7.983 4.867 -3.694 1.00 0.00 N ATOM 48 CA PRO A 5 -7.251 5.741 -4.606 1.00 0.00 C ATOM 49 C PRO A 5 -7.064 7.161 -4.070 1.00 0.00 C ATOM 50 O PRO A 5 -6.420 7.991 -4.703 1.00 0.00 O ATOM 51 CB PRO A 5 -8.149 5.766 -5.848 1.00 0.00 C ATOM 52 CG PRO A 5 -9.492 5.239 -5.419 1.00 0.00 C ATOM 53 CD PRO A 5 -9.421 4.949 -3.941 1.00 0.00 C ATOM 0 HA PRO A 5 -6.238 5.378 -4.779 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.238 6.779 -6.241 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.728 5.151 -6.643 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.274 5.969 -5.628 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.743 4.335 -5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -9.888 5.738 -3.351 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -9.928 4.018 -3.687 1.00 0.00 H new ATOM 61 N PHE A 6 -7.618 7.429 -2.898 1.00 0.00 N ATOM 62 CA PHE A 6 -7.531 8.756 -2.299 1.00 0.00 C ATOM 63 C PHE A 6 -6.227 8.955 -1.531 1.00 0.00 C ATOM 64 O PHE A 6 -5.427 9.831 -1.860 1.00 0.00 O ATOM 65 CB PHE A 6 -8.718 8.990 -1.363 1.00 0.00 C ATOM 66 CG PHE A 6 -10.050 8.999 -2.059 1.00 0.00 C ATOM 67 CD1 PHE A 6 -10.460 10.105 -2.787 1.00 0.00 C ATOM 68 CD2 PHE A 6 -10.894 7.902 -1.981 1.00 0.00 C ATOM 69 CE1 PHE A 6 -11.686 10.116 -3.425 1.00 0.00 C ATOM 70 CE2 PHE A 6 -12.121 7.907 -2.616 1.00 0.00 C ATOM 71 CZ PHE A 6 -12.517 9.016 -3.340 1.00 0.00 C ATOM 0 H PHE A 6 -8.133 6.747 -2.341 1.00 0.00 H new ATOM 0 HA PHE A 6 -7.553 9.480 -3.113 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -8.724 8.213 -0.598 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -8.581 9.942 -0.849 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -9.814 10.968 -2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -10.589 7.033 -1.417 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -11.994 10.984 -3.989 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -12.770 7.046 -2.547 1.00 0.00 H new ATOM 0 HZ PHE A 6 -13.475 9.022 -3.839 1.00 0.00 H new ATOM 81 N ASN A 7 -5.997 8.118 -0.532 1.00 0.00 N ATOM 82 CA ASN A 7 -4.809 8.232 0.307 1.00 0.00 C ATOM 83 C ASN A 7 -3.724 7.268 -0.154 1.00 0.00 C ATOM 84 O ASN A 7 -3.053 6.613 0.652 1.00 0.00 O ATOM 85 CB ASN A 7 -5.181 7.953 1.766 1.00 0.00 C ATOM 86 CG ASN A 7 -4.173 8.516 2.742 1.00 0.00 C ATOM 87 OD1 ASN A 7 -3.663 9.619 2.550 1.00 0.00 O ATOM 88 ND2 ASN A 7 -3.876 7.762 3.791 1.00 0.00 N ATOM 0 H ASN A 7 -6.618 7.349 -0.280 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.418 9.246 0.222 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.161 8.381 1.975 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.264 6.877 1.916 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.199 8.090 4.480 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.324 6.853 3.909 1.00 0.00 H new ATOM 95 N GLU A 8 -3.539 7.204 -1.461 1.00 0.00 N ATOM 96 CA GLU A 8 -2.544 6.322 -2.042 1.00 0.00 C ATOM 97 C GLU A 8 -1.154 6.840 -1.738 1.00 0.00 C ATOM 98 O GLU A 8 -0.299 6.089 -1.301 1.00 0.00 O ATOM 99 CB GLU A 8 -2.749 6.211 -3.557 1.00 0.00 C ATOM 100 CG GLU A 8 -2.419 4.840 -4.133 1.00 0.00 C ATOM 101 CD GLU A 8 -0.944 4.495 -4.058 1.00 0.00 C ATOM 102 OE1 GLU A 8 -0.123 5.263 -4.590 1.00 0.00 O ATOM 103 OE2 GLU A 8 -0.601 3.448 -3.468 1.00 0.00 O ATOM 0 H GLU A 8 -4.066 7.753 -2.140 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.655 5.330 -1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.786 6.451 -3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.130 6.959 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.990 4.082 -3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.741 4.804 -5.174 1.00 0.00 H new ATOM 110 N ASN A 9 -0.959 8.140 -1.913 1.00 0.00 N ATOM 111 CA ASN A 9 0.344 8.757 -1.674 1.00 0.00 C ATOM 112 C ASN A 9 0.823 8.510 -0.251 1.00 0.00 C ATOM 113 O ASN A 9 2.016 8.316 -0.022 1.00 0.00 O ATOM 114 CB ASN A 9 0.290 10.261 -1.962 1.00 0.00 C ATOM 115 CG ASN A 9 0.646 10.589 -3.398 1.00 0.00 C ATOM 116 OD1 ASN A 9 1.554 9.996 -3.973 1.00 0.00 O ATOM 117 ND2 ASN A 9 -0.071 11.531 -3.991 1.00 0.00 N ATOM 0 H ASN A 9 -1.684 8.789 -2.219 1.00 0.00 H new ATOM 0 HA ASN A 9 1.058 8.294 -2.355 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.711 10.634 -1.745 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.976 10.781 -1.293 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.123 11.786 -4.959 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.818 12.001 -3.480 1.00 0.00 H new ATOM 124 N GLU A 10 -0.101 8.493 0.703 1.00 0.00 N ATOM 125 CA GLU A 10 0.270 8.254 2.087 1.00 0.00 C ATOM 126 C GLU A 10 0.560 6.780 2.295 1.00 0.00 C ATOM 127 O GLU A 10 1.646 6.433 2.730 1.00 0.00 O ATOM 128 CB GLU A 10 -0.818 8.727 3.054 1.00 0.00 C ATOM 129 CG GLU A 10 -0.361 8.825 4.509 1.00 0.00 C ATOM 130 CD GLU A 10 -0.357 7.486 5.228 1.00 0.00 C ATOM 131 OE1 GLU A 10 -1.404 6.809 5.225 1.00 0.00 O ATOM 132 OE2 GLU A 10 0.697 7.111 5.792 1.00 0.00 O ATOM 0 H GLU A 10 -1.098 8.640 0.544 1.00 0.00 H new ATOM 0 HA GLU A 10 1.169 8.832 2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.176 9.704 2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.664 8.042 2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.643 9.249 4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.015 9.514 5.043 1.00 0.00 H new ATOM 139 N CYS A 11 -0.389 5.911 1.939 1.00 0.00 N ATOM 140 CA CYS A 11 -0.196 4.471 2.120 1.00 0.00 C ATOM 141 C CYS A 11 1.048 4.005 1.366 1.00 0.00 C ATOM 142 O CYS A 11 1.806 3.156 1.849 1.00 0.00 O ATOM 143 CB CYS A 11 -1.431 3.687 1.652 1.00 0.00 C ATOM 144 SG CYS A 11 -1.705 2.124 2.560 1.00 0.00 S ATOM 0 H CYS A 11 -1.286 6.174 1.530 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.056 4.277 3.183 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.313 4.318 1.761 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.327 3.465 0.590 1.00 0.00 H new ATOM 149 N HIS A 12 1.270 4.595 0.198 1.00 0.00 N ATOM 150 CA HIS A 12 2.415 4.271 -0.634 1.00 0.00 C ATOM 151 C HIS A 12 3.707 4.700 0.049 1.00 0.00 C ATOM 152 O HIS A 12 4.585 3.877 0.300 1.00 0.00 O ATOM 153 CB HIS A 12 2.287 4.970 -1.989 1.00 0.00 C ATOM 154 CG HIS A 12 2.835 4.183 -3.130 1.00 0.00 C ATOM 155 ND1 HIS A 12 2.048 3.453 -3.984 1.00 0.00 N ATOM 156 CD2 HIS A 12 4.102 4.020 -3.557 1.00 0.00 C ATOM 157 CE1 HIS A 12 2.807 2.867 -4.886 1.00 0.00 C ATOM 158 NE2 HIS A 12 4.063 3.197 -4.653 1.00 0.00 N ATOM 0 H HIS A 12 0.660 5.311 -0.196 1.00 0.00 H new ATOM 0 HA HIS A 12 2.442 3.192 -0.786 1.00 0.00 H new ATOM 0 HB2 HIS A 12 1.235 5.182 -2.179 1.00 0.00 H new ATOM 0 HB3 HIS A 12 2.802 5.929 -1.942 1.00 0.00 H new ATOM 0 HD1 HIS A 12 1.032 3.376 -3.929 1.00 0.00 H new ATOM 0 HD2 HIS A 12 4.986 4.457 -3.117 1.00 0.00 H new ATOM 0 HE1 HIS A 12 2.460 2.225 -5.682 1.00 0.00 H new ATOM 167 N ALA A 13 3.809 5.989 0.368 1.00 0.00 N ATOM 168 CA ALA A 13 5.002 6.524 1.018 1.00 0.00 C ATOM 169 C ALA A 13 5.204 5.890 2.384 1.00 0.00 C ATOM 170 O ALA A 13 6.334 5.651 2.805 1.00 0.00 O ATOM 171 CB ALA A 13 4.913 8.037 1.146 1.00 0.00 C ATOM 0 H ALA A 13 3.081 6.680 0.187 1.00 0.00 H new ATOM 0 HA ALA A 13 5.862 6.280 0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.812 8.414 1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.823 8.481 0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.039 8.301 1.742 1.00 0.00 H new ATOM 177 N HIS A 14 4.101 5.613 3.068 1.00 0.00 N ATOM 178 CA HIS A 14 4.144 4.990 4.380 1.00 0.00 C ATOM 179 C HIS A 14 4.839 3.644 4.288 1.00 0.00 C ATOM 180 O HIS A 14 5.837 3.404 4.968 1.00 0.00 O ATOM 181 CB HIS A 14 2.728 4.813 4.928 1.00 0.00 C ATOM 182 CG HIS A 14 2.678 4.487 6.386 1.00 0.00 C ATOM 183 ND1 HIS A 14 3.444 5.136 7.329 1.00 0.00 N ATOM 184 CD2 HIS A 14 1.954 3.567 7.058 1.00 0.00 C ATOM 185 CE1 HIS A 14 3.196 4.625 8.519 1.00 0.00 C ATOM 186 NE2 HIS A 14 2.291 3.671 8.387 1.00 0.00 N ATOM 0 H HIS A 14 3.160 5.813 2.730 1.00 0.00 H new ATOM 0 HA HIS A 14 4.703 5.634 5.059 1.00 0.00 H new ATOM 0 HB2 HIS A 14 2.164 5.729 4.751 1.00 0.00 H new ATOM 0 HB3 HIS A 14 2.230 4.019 4.371 1.00 0.00 H new ATOM 0 HD2 HIS A 14 1.242 2.877 6.631 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.655 4.934 9.446 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.907 3.106 9.144 1.00 0.00 H new ATOM 195 N CYS A 15 4.323 2.782 3.421 1.00 0.00 N ATOM 196 CA CYS A 15 4.896 1.456 3.231 1.00 0.00 C ATOM 197 C CYS A 15 6.343 1.576 2.762 1.00 0.00 C ATOM 198 O CYS A 15 7.223 0.822 3.183 1.00 0.00 O ATOM 199 CB CYS A 15 4.070 0.649 2.225 1.00 0.00 C ATOM 200 SG CYS A 15 4.269 -1.155 2.380 1.00 0.00 S ATOM 0 H CYS A 15 3.509 2.977 2.838 1.00 0.00 H new ATOM 0 HA CYS A 15 4.878 0.928 4.184 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.017 0.900 2.351 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.351 0.950 1.216 1.00 0.00 H new ATOM 205 N LEU A 16 6.584 2.566 1.924 1.00 0.00 N ATOM 206 CA LEU A 16 7.916 2.821 1.393 1.00 0.00 C ATOM 207 C LEU A 16 8.891 3.195 2.507 1.00 0.00 C ATOM 208 O LEU A 16 10.097 2.948 2.402 1.00 0.00 O ATOM 209 CB LEU A 16 7.861 3.939 0.352 1.00 0.00 C ATOM 210 CG LEU A 16 7.838 3.477 -1.109 1.00 0.00 C ATOM 211 CD1 LEU A 16 6.755 2.431 -1.328 1.00 0.00 C ATOM 212 CD2 LEU A 16 7.621 4.661 -2.038 1.00 0.00 C ATOM 0 H LEU A 16 5.870 3.214 1.592 1.00 0.00 H new ATOM 0 HA LEU A 16 8.272 1.905 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.973 4.542 0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.724 4.589 0.496 1.00 0.00 H new ATOM 0 HG LEU A 16 8.803 3.025 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.757 2.118 -2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.948 1.568 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.783 2.856 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.607 4.315 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.670 5.139 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.430 5.380 -1.907 1.00 0.00 H new ATOM 224 N SER A 17 8.360 3.781 3.571 1.00 0.00 N ATOM 225 CA SER A 17 9.172 4.200 4.703 1.00 0.00 C ATOM 226 C SER A 17 9.483 3.035 5.645 1.00 0.00 C ATOM 227 O SER A 17 10.402 3.123 6.456 1.00 0.00 O ATOM 228 CB SER A 17 8.461 5.315 5.472 1.00 0.00 C ATOM 229 OG SER A 17 8.156 6.408 4.621 1.00 0.00 O ATOM 0 H SER A 17 7.364 3.978 3.673 1.00 0.00 H new ATOM 0 HA SER A 17 10.119 4.570 4.310 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.543 4.928 5.915 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.092 5.655 6.293 1.00 0.00 H new ATOM 0 HG SER A 17 7.480 6.134 3.967 1.00 0.00 H new ATOM 235 N ILE A 18 8.740 1.934 5.531 1.00 0.00 N ATOM 236 CA ILE A 18 8.968 0.795 6.416 1.00 0.00 C ATOM 237 C ILE A 18 9.785 -0.301 5.735 1.00 0.00 C ATOM 238 O ILE A 18 9.591 -1.490 5.990 1.00 0.00 O ATOM 239 CB ILE A 18 7.658 0.205 6.991 1.00 0.00 C ATOM 240 CG1 ILE A 18 6.533 0.220 5.955 1.00 0.00 C ATOM 241 CG2 ILE A 18 7.243 0.975 8.241 1.00 0.00 C ATOM 242 CD1 ILE A 18 5.247 -0.421 6.433 1.00 0.00 C ATOM 0 H ILE A 18 7.991 1.808 4.850 1.00 0.00 H new ATOM 0 HA ILE A 18 9.544 1.188 7.254 1.00 0.00 H new ATOM 0 HB ILE A 18 7.845 -0.835 7.258 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.329 1.252 5.671 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.873 -0.297 5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.320 0.553 8.639 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.029 0.900 8.992 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.083 2.023 7.986 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.499 -0.370 5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.434 -1.464 6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.881 0.109 7.312 1.00 0.00 H new ATOM 254 N GLY A 19 10.671 0.109 4.837 1.00 0.00 N ATOM 255 CA GLY A 19 11.536 -0.836 4.154 1.00 0.00 C ATOM 256 C GLY A 19 11.055 -1.189 2.764 1.00 0.00 C ATOM 257 O GLY A 19 11.854 -1.302 1.834 1.00 0.00 O ATOM 0 H GLY A 19 10.807 1.083 4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.540 -0.417 4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.609 -1.747 4.748 1.00 0.00 H new ATOM 261 N ARG A 20 9.749 -1.333 2.616 1.00 0.00 N ATOM 262 CA ARG A 20 9.159 -1.693 1.327 1.00 0.00 C ATOM 263 C ARG A 20 9.455 -0.622 0.281 1.00 0.00 C ATOM 264 O ARG A 20 9.546 0.556 0.602 1.00 0.00 O ATOM 265 CB ARG A 20 7.648 -1.893 1.462 1.00 0.00 C ATOM 266 CG ARG A 20 7.256 -3.055 2.366 1.00 0.00 C ATOM 267 CD ARG A 20 7.179 -2.636 3.826 1.00 0.00 C ATOM 268 NE ARG A 20 6.329 -3.530 4.606 1.00 0.00 N ATOM 269 CZ ARG A 20 6.596 -3.927 5.849 1.00 0.00 C ATOM 270 NH1 ARG A 20 7.705 -3.520 6.462 1.00 0.00 N ATOM 271 NH2 ARG A 20 5.747 -4.726 6.480 1.00 0.00 N ATOM 0 H ARG A 20 9.073 -1.207 3.369 1.00 0.00 H new ATOM 0 HA ARG A 20 9.607 -2.632 1.001 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.204 -0.977 1.851 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.223 -2.057 0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.291 -3.451 2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.982 -3.861 2.257 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.182 -2.624 4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.792 -1.619 3.892 1.00 0.00 H new ATOM 0 HE ARG A 20 5.473 -3.874 4.170 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.356 -2.900 5.980 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.904 -3.828 7.414 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.894 -5.034 6.014 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.947 -5.033 7.432 1.00 0.00 H new ATOM 285 N LYS A 21 9.647 -1.034 -0.966 1.00 0.00 N ATOM 286 CA LYS A 21 9.940 -0.083 -2.033 1.00 0.00 C ATOM 287 C LYS A 21 8.737 0.130 -2.943 1.00 0.00 C ATOM 288 O LYS A 21 8.626 1.155 -3.613 1.00 0.00 O ATOM 289 CB LYS A 21 11.153 -0.543 -2.842 1.00 0.00 C ATOM 290 CG LYS A 21 12.466 -0.429 -2.079 1.00 0.00 C ATOM 291 CD LYS A 21 12.805 1.022 -1.762 1.00 0.00 C ATOM 292 CE LYS A 21 13.008 1.243 -0.268 1.00 0.00 C ATOM 293 NZ LYS A 21 11.845 1.933 0.359 1.00 0.00 N ATOM 0 H LYS A 21 9.606 -2.009 -1.262 1.00 0.00 H new ATOM 0 HA LYS A 21 10.172 0.875 -1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.006 -1.580 -3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.218 0.050 -3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.400 -0.999 -1.152 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.270 -0.871 -2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.710 1.309 -2.298 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.004 1.669 -2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.167 0.282 0.222 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.909 1.835 -0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.162 2.447 1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.433 2.605 -0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.128 1.229 0.629 1.00 0.00 H new ATOM 307 N PHE A 22 7.838 -0.840 -2.959 1.00 0.00 N ATOM 308 CA PHE A 22 6.630 -0.758 -3.775 1.00 0.00 C ATOM 309 C PHE A 22 5.481 -1.408 -3.027 1.00 0.00 C ATOM 310 O PHE A 22 5.701 -2.279 -2.182 1.00 0.00 O ATOM 311 CB PHE A 22 6.793 -1.465 -5.130 1.00 0.00 C ATOM 312 CG PHE A 22 8.202 -1.507 -5.661 1.00 0.00 C ATOM 313 CD1 PHE A 22 8.708 -0.464 -6.423 1.00 0.00 C ATOM 314 CD2 PHE A 22 9.019 -2.596 -5.398 1.00 0.00 C ATOM 315 CE1 PHE A 22 10.002 -0.506 -6.909 1.00 0.00 C ATOM 316 CE2 PHE A 22 10.312 -2.644 -5.882 1.00 0.00 C ATOM 317 CZ PHE A 22 10.805 -1.598 -6.638 1.00 0.00 C ATOM 0 H PHE A 22 7.919 -1.699 -2.415 1.00 0.00 H new ATOM 0 HA PHE A 22 6.433 0.297 -3.965 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.426 -2.487 -5.036 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.160 -0.965 -5.862 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.084 0.391 -6.639 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.640 -3.417 -4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.385 0.313 -7.500 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.937 -3.499 -5.670 1.00 0.00 H new ATOM 0 HZ PHE A 22 11.816 -1.633 -7.017 1.00 0.00 H new ATOM 327 N GLY A 23 4.268 -0.995 -3.348 1.00 0.00 N ATOM 328 CA GLY A 23 3.098 -1.550 -2.698 1.00 0.00 C ATOM 329 C GLY A 23 1.869 -0.691 -2.897 1.00 0.00 C ATOM 330 O GLY A 23 1.983 0.513 -3.114 1.00 0.00 O ATOM 0 H GLY A 23 4.070 -0.282 -4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.907 -2.549 -3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.294 -1.658 -1.631 1.00 0.00 H new ATOM 334 N PHE A 24 0.702 -1.318 -2.830 1.00 0.00 N ATOM 335 CA PHE A 24 -0.574 -0.627 -3.005 1.00 0.00 C ATOM 336 C PHE A 24 -1.705 -1.533 -2.533 1.00 0.00 C ATOM 337 O PHE A 24 -1.468 -2.702 -2.235 1.00 0.00 O ATOM 338 CB PHE A 24 -0.786 -0.225 -4.474 1.00 0.00 C ATOM 339 CG PHE A 24 -0.703 -1.372 -5.449 1.00 0.00 C ATOM 340 CD1 PHE A 24 0.517 -1.765 -5.975 1.00 0.00 C ATOM 341 CD2 PHE A 24 -1.847 -2.052 -5.838 1.00 0.00 C ATOM 342 CE1 PHE A 24 0.595 -2.816 -6.870 1.00 0.00 C ATOM 343 CE2 PHE A 24 -1.774 -3.101 -6.732 1.00 0.00 C ATOM 344 CZ PHE A 24 -0.552 -3.485 -7.248 1.00 0.00 C ATOM 0 H PHE A 24 0.610 -2.318 -2.653 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.566 0.286 -2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.762 0.249 -4.571 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.040 0.522 -4.745 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.417 -1.245 -5.683 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.806 -1.758 -5.437 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.552 -3.113 -7.273 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.673 -3.622 -7.028 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.494 -4.307 -7.946 1.00 0.00 H new ATOM 354 N CYS A 25 -2.924 -1.012 -2.460 1.00 0.00 N ATOM 355 CA CYS A 25 -4.060 -1.813 -2.011 1.00 0.00 C ATOM 356 C CYS A 25 -4.308 -2.981 -2.952 1.00 0.00 C ATOM 357 O CYS A 25 -4.493 -2.803 -4.159 1.00 0.00 O ATOM 358 CB CYS A 25 -5.320 -0.953 -1.873 1.00 0.00 C ATOM 359 SG CYS A 25 -5.636 0.153 -3.284 1.00 0.00 S ATOM 0 H CYS A 25 -3.152 -0.048 -2.703 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.815 -2.215 -1.028 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.180 -1.609 -1.742 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.237 -0.352 -0.968 1.00 0.00 H new ATOM 364 N ALA A 26 -4.306 -4.179 -2.394 1.00 0.00 N ATOM 365 CA ALA A 26 -4.515 -5.379 -3.188 1.00 0.00 C ATOM 366 C ALA A 26 -5.716 -6.174 -2.691 1.00 0.00 C ATOM 367 O ALA A 26 -6.534 -5.669 -1.916 1.00 0.00 O ATOM 368 CB ALA A 26 -3.256 -6.235 -3.183 1.00 0.00 C ATOM 0 H ALA A 26 -4.163 -4.347 -1.398 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.729 -5.076 -4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.423 -7.131 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.428 -5.666 -3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.015 -6.521 -2.159 1.00 0.00 H new ATOM 374 N GLY A 27 -5.821 -7.417 -3.151 1.00 0.00 N ATOM 375 CA GLY A 27 -6.923 -8.270 -2.762 1.00 0.00 C ATOM 376 C GLY A 27 -8.175 -7.984 -3.572 1.00 0.00 C ATOM 377 O GLY A 27 -8.235 -6.980 -4.284 1.00 0.00 O ATOM 0 H GLY A 27 -5.155 -7.849 -3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.637 -9.314 -2.892 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.136 -8.127 -1.703 1.00 0.00 H new ATOM 381 N PRO A 28 -9.195 -8.852 -3.492 1.00 0.00 N ATOM 382 CA PRO A 28 -10.450 -8.662 -4.229 1.00 0.00 C ATOM 383 C PRO A 28 -11.293 -7.534 -3.638 1.00 0.00 C ATOM 384 O PRO A 28 -12.253 -7.074 -4.249 1.00 0.00 O ATOM 385 CB PRO A 28 -11.163 -10.006 -4.068 1.00 0.00 C ATOM 386 CG PRO A 28 -10.634 -10.561 -2.790 1.00 0.00 C ATOM 387 CD PRO A 28 -9.207 -10.093 -2.693 1.00 0.00 C ATOM 0 HA PRO A 28 -10.280 -8.381 -5.268 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.245 -9.879 -4.027 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.952 -10.670 -4.906 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.219 -10.209 -1.940 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.689 -11.650 -2.785 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.915 -9.907 -1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.514 -10.834 -3.092 1.00 0.00 H new ATOM 395 N LEU A 29 -10.913 -7.096 -2.445 1.00 0.00 N ATOM 396 CA LEU A 29 -11.623 -6.028 -1.757 1.00 0.00 C ATOM 397 C LEU A 29 -10.996 -4.673 -2.066 1.00 0.00 C ATOM 398 O LEU A 29 -11.643 -3.636 -1.919 1.00 0.00 O ATOM 399 CB LEU A 29 -11.601 -6.268 -0.245 1.00 0.00 C ATOM 400 CG LEU A 29 -12.164 -7.614 0.212 1.00 0.00 C ATOM 401 CD1 LEU A 29 -11.909 -7.818 1.697 1.00 0.00 C ATOM 402 CD2 LEU A 29 -13.653 -7.703 -0.087 1.00 0.00 C ATOM 0 H LEU A 29 -10.113 -7.467 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.654 -6.026 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -10.572 -6.186 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -12.167 -5.473 0.241 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.655 -8.404 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.316 -8.781 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.836 -7.799 1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.392 -7.021 2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -14.034 -8.668 0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.178 -6.905 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -13.816 -7.599 -1.160 1.00 0.00 H new ATOM 414 N ARG A 30 -9.727 -4.696 -2.493 1.00 0.00 N ATOM 415 CA ARG A 30 -8.989 -3.474 -2.817 1.00 0.00 C ATOM 416 C ARG A 30 -9.011 -2.513 -1.628 1.00 0.00 C ATOM 417 O ARG A 30 -9.268 -1.313 -1.774 1.00 0.00 O ATOM 418 CB ARG A 30 -9.584 -2.810 -4.065 1.00 0.00 C ATOM 419 CG ARG A 30 -8.622 -1.878 -4.785 1.00 0.00 C ATOM 420 CD ARG A 30 -7.362 -2.605 -5.231 1.00 0.00 C ATOM 421 NE ARG A 30 -7.651 -3.734 -6.119 1.00 0.00 N ATOM 422 CZ ARG A 30 -6.710 -4.491 -6.689 1.00 0.00 C ATOM 423 NH1 ARG A 30 -5.422 -4.276 -6.416 1.00 0.00 N ATOM 424 NH2 ARG A 30 -7.059 -5.475 -7.519 1.00 0.00 N ATOM 0 H ARG A 30 -9.190 -5.554 -2.622 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.952 -3.733 -3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.909 -3.586 -4.758 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.472 -2.248 -3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.118 -1.443 -5.653 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.352 -1.053 -4.125 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.703 -1.903 -5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.824 -2.965 -4.354 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.628 -3.955 -6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.155 -3.532 -5.771 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.705 -4.855 -6.852 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.044 -5.649 -7.718 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.341 -6.054 -7.955 1.00 0.00 H new ATOM 438 N ALA A 31 -8.732 -3.049 -0.445 1.00 0.00 N ATOM 439 CA ALA A 31 -8.751 -2.256 0.772 1.00 0.00 C ATOM 440 C ALA A 31 -7.356 -2.069 1.364 1.00 0.00 C ATOM 441 O ALA A 31 -6.771 -0.990 1.258 1.00 0.00 O ATOM 442 CB ALA A 31 -9.683 -2.889 1.796 1.00 0.00 C ATOM 0 H ALA A 31 -8.490 -4.030 -0.306 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.122 -1.265 0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.689 -2.286 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.692 -2.940 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.336 -3.895 2.031 1.00 0.00 H new ATOM 448 N THR A 32 -6.839 -3.116 1.985 1.00 0.00 N ATOM 449 CA THR A 32 -5.530 -3.074 2.622 1.00 0.00 C ATOM 450 C THR A 32 -4.390 -2.968 1.609 1.00 0.00 C ATOM 451 O THR A 32 -4.423 -3.591 0.540 1.00 0.00 O ATOM 452 CB THR A 32 -5.330 -4.333 3.481 1.00 0.00 C ATOM 453 OG1 THR A 32 -6.602 -4.953 3.718 1.00 0.00 O ATOM 454 CG2 THR A 32 -4.669 -3.989 4.808 1.00 0.00 C ATOM 0 H THR A 32 -7.311 -4.017 2.063 1.00 0.00 H new ATOM 0 HA THR A 32 -5.504 -2.179 3.244 1.00 0.00 H new ATOM 0 HB THR A 32 -4.677 -5.021 2.944 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.767 -5.633 3.032 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.539 -4.897 5.396 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.696 -3.535 4.623 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.298 -3.288 5.357 1.00 0.00 H new ATOM 462 N CYS A 33 -3.389 -2.160 1.946 1.00 0.00 N ATOM 463 CA CYS A 33 -2.229 -1.986 1.089 1.00 0.00 C ATOM 464 C CYS A 33 -1.294 -3.173 1.248 1.00 0.00 C ATOM 465 O CYS A 33 -0.992 -3.596 2.361 1.00 0.00 O ATOM 466 CB CYS A 33 -1.488 -0.685 1.415 1.00 0.00 C ATOM 467 SG CYS A 33 -2.479 0.834 1.192 1.00 0.00 S ATOM 0 H CYS A 33 -3.361 -1.616 2.809 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.571 -1.927 0.056 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.142 -0.729 2.448 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.601 -0.620 0.784 1.00 0.00 H new ATOM 472 N THR A 34 -0.876 -3.722 0.130 1.00 0.00 N ATOM 473 CA THR A 34 0.019 -4.863 0.114 1.00 0.00 C ATOM 474 C THR A 34 1.322 -4.497 -0.584 1.00 0.00 C ATOM 475 O THR A 34 1.313 -3.948 -1.688 1.00 0.00 O ATOM 476 CB THR A 34 -0.640 -6.053 -0.601 1.00 0.00 C ATOM 477 OG1 THR A 34 -2.010 -6.153 -0.189 1.00 0.00 O ATOM 478 CG2 THR A 34 0.084 -7.355 -0.290 1.00 0.00 C ATOM 0 H THR A 34 -1.146 -3.392 -0.796 1.00 0.00 H new ATOM 0 HA THR A 34 0.234 -5.148 1.144 1.00 0.00 H new ATOM 0 HB THR A 34 -0.583 -5.883 -1.676 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.295 -7.090 -0.224 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.407 -8.177 -0.811 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.120 -7.283 -0.620 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.058 -7.538 0.784 1.00 0.00 H new ATOM 486 N CYS A 35 2.433 -4.794 0.063 1.00 0.00 N ATOM 487 CA CYS A 35 3.736 -4.474 -0.487 1.00 0.00 C ATOM 488 C CYS A 35 4.571 -5.736 -0.697 1.00 0.00 C ATOM 489 O CYS A 35 4.144 -6.836 -0.346 1.00 0.00 O ATOM 490 CB CYS A 35 4.453 -3.496 0.442 1.00 0.00 C ATOM 491 SG CYS A 35 3.619 -1.879 0.599 1.00 0.00 S ATOM 0 H CYS A 35 2.459 -5.257 0.971 1.00 0.00 H new ATOM 0 HA CYS A 35 3.601 -4.007 -1.463 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.540 -3.947 1.431 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.467 -3.337 0.074 1.00 0.00 H new ATOM 496 N GLY A 36 5.762 -5.570 -1.277 1.00 0.00 N ATOM 497 CA GLY A 36 6.649 -6.700 -1.537 1.00 0.00 C ATOM 498 C GLY A 36 6.971 -7.511 -0.294 1.00 0.00 C ATOM 499 O GLY A 36 7.247 -8.713 -0.374 1.00 0.00 O ATOM 0 H GLY A 36 6.131 -4.667 -1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.187 -7.352 -2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.578 -6.331 -1.972 1.00 0.00 H new ATOM 503 N LYS A 37 6.976 -6.846 0.850 1.00 0.00 N ATOM 504 CA LYS A 37 7.249 -7.499 2.122 1.00 0.00 C ATOM 505 C LYS A 37 6.131 -7.211 3.116 1.00 0.00 C ATOM 506 O LYS A 37 6.389 -7.001 4.301 1.00 0.00 O ATOM 507 CB LYS A 37 8.600 -7.041 2.686 1.00 0.00 C ATOM 508 CG LYS A 37 9.799 -7.666 1.984 1.00 0.00 C ATOM 509 CD LYS A 37 9.654 -9.177 1.857 1.00 0.00 C ATOM 510 CE LYS A 37 10.233 -9.681 0.543 1.00 0.00 C ATOM 511 NZ LYS A 37 9.422 -10.788 -0.045 1.00 0.00 N ATOM 0 H LYS A 37 6.792 -5.845 0.924 1.00 0.00 H new ATOM 0 HA LYS A 37 7.296 -8.575 1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.668 -5.956 2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.643 -7.286 3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.910 -7.227 0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.708 -7.433 2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.160 -9.664 2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.601 -9.450 1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.288 -8.856 -0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.253 -10.028 0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.916 -11.178 -0.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.291 -11.537 0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.494 -10.421 -0.337 1.00 0.00 H new ATOM 525 N GLN A 38 4.894 -7.208 2.613 1.00 0.00 N ATOM 526 CA GLN A 38 3.712 -6.930 3.427 1.00 0.00 C ATOM 527 C GLN A 38 3.827 -5.550 4.057 1.00 0.00 C ATOM 528 O GLN A 38 4.240 -4.613 3.344 1.00 0.00 O ATOM 529 CB GLN A 38 3.512 -7.999 4.509 1.00 0.00 C ATOM 530 CG GLN A 38 3.095 -9.356 3.963 1.00 0.00 C ATOM 531 CD GLN A 38 1.803 -9.297 3.171 1.00 0.00 C ATOM 532 OE1 GLN A 38 1.814 -9.160 1.949 1.00 0.00 O ATOM 533 NE2 GLN A 38 0.678 -9.386 3.864 1.00 0.00 N ATOM 534 OXT GLN A 38 3.529 -5.412 5.262 1.00 0.00 O ATOM 0 H GLN A 38 4.686 -7.398 1.633 1.00 0.00 H new ATOM 0 HA GLN A 38 2.839 -6.953 2.775 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.440 -8.113 5.069 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.755 -7.653 5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.889 -9.746 3.326 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.977 -10.055 4.791 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.711 -9.499 4.877 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.221 -9.341 3.385 1.00 0.00 H new TER 543 GLN A 38