USER MOD reduce.3.24.130724 H: found=0, std=0, add=237, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 227 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 5 HIS : no HE2:sc= -8.02! C(o=-15!,f=-17!) USER MOD Set 1.2: A 7 CYS SG : rot 180:sc= -2.55! USER MOD Set 1.3: A 9 CYS SG : rot 111:sc= -0.0398! USER MOD Set 1.4: A 11 CYS SG : rot -130:sc= -0.204 USER MOD Set 1.5: A 13 SER OG : rot 180:sc= 0 USER MOD Set 1.6: A 14 CYS SG : rot -158:sc= -0.512! USER MOD Set 1.7: A 20 CYS SG : rot -52:sc= 0.304 USER MOD Set 1.8: A 24 CYS SG : rot 23:sc= -3.77! USER MOD Set 1.9: A 26 CYS SG : rot -160:sc=9.49e-05! USER MOD Set 1.10: A 30 CYS SG : rot 77:sc= 0.0363 USER MOD Set 1.11: A 36 CYS SG : rot 151:sc= 0.155 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.0597 K(o=-0.06,f=-2.4!) USER MOD Single : A 10 GLN : amide:sc= -0.214 K(o=-0.21,f=-0.9) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -3.48! K(o=-3.5!,f=-2.5) USER MOD Single : A 17 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.4!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.0155 X(o=-0.015,f=-0.015) USER MOD Single : A 22 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.104) USER MOD Single : A 23 SER OG : rot 36:sc= 0.293 USER MOD Single : A 25 SER OG : rot 180:sc= 0.115 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -2 K(o=-2,f=-5.2!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 64:sc= -1.75 USER MOD Single : A 40 ASN : amide:sc= -2.22 K(o=-2.2,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -0.762 10.509 -3.695 1.00 0.00 N ATOM 21 CA ASN A 2 -0.290 10.906 -2.337 1.00 0.00 C ATOM 22 C ASN A 2 0.526 9.773 -1.709 1.00 0.00 C ATOM 23 O ASN A 2 0.451 9.525 -0.522 1.00 0.00 O ATOM 24 CB ASN A 2 -1.565 11.158 -1.531 1.00 0.00 C ATOM 25 CG ASN A 2 -1.380 12.404 -0.662 1.00 0.00 C ATOM 26 OD1 ASN A 2 -1.654 13.506 -1.095 1.00 0.00 O ATOM 27 ND2 ASN A 2 -0.923 12.275 0.553 1.00 0.00 N ATOM 0 HA ASN A 2 0.354 11.785 -2.365 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.412 11.293 -2.203 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.789 10.294 -0.905 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.795 13.099 1.140 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.693 11.350 0.916 1.00 0.00 H new ATOM 34 N GLU A 3 1.307 9.086 -2.495 1.00 0.00 N ATOM 35 CA GLU A 3 2.128 7.972 -1.940 1.00 0.00 C ATOM 36 C GLU A 3 3.494 8.485 -1.528 1.00 0.00 C ATOM 37 O GLU A 3 4.497 7.812 -1.655 1.00 0.00 O ATOM 38 CB GLU A 3 2.268 6.967 -3.078 1.00 0.00 C ATOM 39 CG GLU A 3 3.187 7.548 -4.155 1.00 0.00 C ATOM 40 CD GLU A 3 2.457 7.565 -5.499 1.00 0.00 C ATOM 41 OE1 GLU A 3 1.275 7.867 -5.505 1.00 0.00 O ATOM 42 OE2 GLU A 3 3.092 7.277 -6.500 1.00 0.00 O ATOM 0 H GLU A 3 1.413 9.247 -3.497 1.00 0.00 H new ATOM 0 HA GLU A 3 1.667 7.528 -1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.677 6.029 -2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.289 6.741 -3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.490 8.559 -3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.096 6.952 -4.231 1.00 0.00 H new ATOM 49 N GLY A 4 3.526 9.657 -0.995 1.00 0.00 N ATOM 50 CA GLY A 4 4.815 10.221 -0.516 1.00 0.00 C ATOM 51 C GLY A 4 4.940 9.789 0.933 1.00 0.00 C ATOM 52 O GLY A 4 5.122 10.590 1.829 1.00 0.00 O ATOM 0 H GLY A 4 2.714 10.260 -0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.650 9.848 -1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.823 11.308 -0.603 1.00 0.00 H new ATOM 56 N HIS A 5 4.778 8.517 1.168 1.00 0.00 N ATOM 57 CA HIS A 5 4.812 8.010 2.557 1.00 0.00 C ATOM 58 C HIS A 5 5.559 6.688 2.657 1.00 0.00 C ATOM 59 O HIS A 5 6.054 6.155 1.684 1.00 0.00 O ATOM 60 CB HIS A 5 3.323 7.787 2.879 1.00 0.00 C ATOM 61 CG HIS A 5 2.709 6.687 2.004 1.00 0.00 C ATOM 62 ND1 HIS A 5 3.438 5.893 1.118 1.00 0.00 N ATOM 63 CD2 HIS A 5 1.421 6.203 1.920 1.00 0.00 C ATOM 64 CE1 HIS A 5 2.587 4.993 0.585 1.00 0.00 C ATOM 65 NE2 HIS A 5 1.358 5.142 1.038 1.00 0.00 N ATOM 0 H HIS A 5 4.623 7.808 0.451 1.00 0.00 H new ATOM 0 HA HIS A 5 5.322 8.695 3.235 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.215 7.518 3.930 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.776 8.718 2.730 1.00 0.00 H new ATOM 0 HD1 HIS A 5 4.433 5.978 0.911 1.00 0.00 H new ATOM 0 HD2 HIS A 5 0.578 6.598 2.468 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.878 4.238 -0.130 1.00 0.00 H new ATOM 73 N GLU A 6 5.588 6.120 3.819 1.00 0.00 N ATOM 74 CA GLU A 6 6.210 4.792 3.947 1.00 0.00 C ATOM 75 C GLU A 6 5.082 3.802 3.744 1.00 0.00 C ATOM 76 O GLU A 6 4.067 3.879 4.408 1.00 0.00 O ATOM 77 CB GLU A 6 6.762 4.692 5.356 1.00 0.00 C ATOM 78 CG GLU A 6 7.937 5.654 5.509 1.00 0.00 C ATOM 79 CD GLU A 6 7.887 6.313 6.889 1.00 0.00 C ATOM 80 OE1 GLU A 6 6.823 6.781 7.263 1.00 0.00 O ATOM 81 OE2 GLU A 6 8.913 6.339 7.549 1.00 0.00 O ATOM 0 H GLU A 6 5.210 6.516 4.679 1.00 0.00 H new ATOM 0 HA GLU A 6 7.016 4.609 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.984 4.932 6.081 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.084 3.671 5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 6 8.878 5.117 5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.900 6.416 4.730 1.00 0.00 H new ATOM 88 N CYS A 7 5.216 2.898 2.836 1.00 0.00 N ATOM 89 CA CYS A 7 4.095 1.941 2.620 1.00 0.00 C ATOM 90 C CYS A 7 3.638 1.424 3.982 1.00 0.00 C ATOM 91 O CYS A 7 4.378 0.761 4.682 1.00 0.00 O ATOM 92 CB CYS A 7 4.651 0.825 1.742 1.00 0.00 C ATOM 93 SG CYS A 7 3.502 -0.565 1.769 1.00 0.00 S ATOM 0 H CYS A 7 6.033 2.772 2.238 1.00 0.00 H new ATOM 0 HA CYS A 7 3.231 2.393 2.133 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.788 1.181 0.721 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.630 0.512 2.105 1.00 0.00 H new ATOM 0 HG CYS A 7 3.963 -1.524 1.022 1.00 0.00 H new ATOM 98 N GLN A 8 2.441 1.757 4.389 1.00 0.00 N ATOM 99 CA GLN A 8 1.983 1.309 5.735 1.00 0.00 C ATOM 100 C GLN A 8 0.645 0.595 5.647 1.00 0.00 C ATOM 101 O GLN A 8 -0.221 0.770 6.481 1.00 0.00 O ATOM 102 CB GLN A 8 1.852 2.594 6.553 1.00 0.00 C ATOM 103 CG GLN A 8 3.043 2.714 7.506 1.00 0.00 C ATOM 104 CD GLN A 8 3.256 4.182 7.876 1.00 0.00 C ATOM 105 OE1 GLN A 8 2.378 5.001 7.689 1.00 0.00 O ATOM 106 NE2 GLN A 8 4.394 4.554 8.395 1.00 0.00 N ATOM 0 H GLN A 8 1.771 2.311 3.856 1.00 0.00 H new ATOM 0 HA GLN A 8 2.679 0.601 6.185 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.815 3.458 5.890 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.920 2.585 7.118 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.864 2.124 8.405 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.941 2.313 7.035 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.132 3.867 8.552 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.546 5.532 8.643 1.00 0.00 H new ATOM 115 N CYS A 9 0.470 -0.221 4.655 1.00 0.00 N ATOM 116 CA CYS A 9 -0.807 -0.958 4.529 1.00 0.00 C ATOM 117 C CYS A 9 -0.827 -2.096 5.556 1.00 0.00 C ATOM 118 O CYS A 9 0.207 -2.568 5.982 1.00 0.00 O ATOM 119 CB CYS A 9 -0.764 -1.492 3.107 1.00 0.00 C ATOM 120 SG CYS A 9 -1.041 -0.142 1.940 1.00 0.00 S ATOM 0 H CYS A 9 1.157 -0.410 3.925 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.696 -0.355 4.712 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.201 -1.960 2.913 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.524 -2.262 2.974 1.00 0.00 H new ATOM 0 HG CYS A 9 0.056 0.098 1.286 1.00 0.00 H new ATOM 125 N GLN A 10 -1.983 -2.534 5.968 1.00 0.00 N ATOM 126 CA GLN A 10 -2.039 -3.631 6.978 1.00 0.00 C ATOM 127 C GLN A 10 -2.056 -4.994 6.284 1.00 0.00 C ATOM 128 O GLN A 10 -2.366 -6.005 6.882 1.00 0.00 O ATOM 129 CB GLN A 10 -3.344 -3.399 7.742 1.00 0.00 C ATOM 130 CG GLN A 10 -3.049 -2.615 9.022 1.00 0.00 C ATOM 131 CD GLN A 10 -3.753 -3.284 10.204 1.00 0.00 C ATOM 132 OE1 GLN A 10 -3.774 -4.494 10.307 1.00 0.00 O ATOM 133 NE2 GLN A 10 -4.332 -2.541 11.107 1.00 0.00 N ATOM 0 H GLN A 10 -2.888 -2.184 5.653 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.173 -3.627 7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.050 -2.849 7.120 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.810 -4.353 7.986 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.974 -2.578 9.199 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.390 -1.585 8.917 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.314 -1.525 11.020 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.803 -2.976 11.900 1.00 0.00 H new ATOM 142 N CYS A 11 -1.735 -5.023 5.022 1.00 0.00 N ATOM 143 CA CYS A 11 -1.732 -6.288 4.269 1.00 0.00 C ATOM 144 C CYS A 11 -0.438 -7.060 4.509 1.00 0.00 C ATOM 145 O CYS A 11 0.304 -6.800 5.433 1.00 0.00 O ATOM 146 CB CYS A 11 -1.787 -5.827 2.819 1.00 0.00 C ATOM 147 SG CYS A 11 -3.045 -4.545 2.611 1.00 0.00 S ATOM 0 H CYS A 11 -1.471 -4.202 4.478 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.549 -6.950 4.555 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.813 -5.442 2.516 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.011 -6.674 2.170 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.813 -4.850 1.607 1.00 0.00 H new ATOM 152 N GLY A 12 -0.164 -7.992 3.647 1.00 0.00 N ATOM 153 CA GLY A 12 1.085 -8.789 3.756 1.00 0.00 C ATOM 154 C GLY A 12 1.955 -8.460 2.543 1.00 0.00 C ATOM 155 O GLY A 12 3.162 -8.591 2.572 1.00 0.00 O ATOM 0 H GLY A 12 -0.762 -8.240 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.611 -8.550 4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.857 -9.855 3.785 1.00 0.00 H new ATOM 159 N SER A 13 1.340 -8.011 1.477 1.00 0.00 N ATOM 160 CA SER A 13 2.116 -7.649 0.258 1.00 0.00 C ATOM 161 C SER A 13 2.843 -6.324 0.497 1.00 0.00 C ATOM 162 O SER A 13 3.892 -6.069 -0.060 1.00 0.00 O ATOM 163 CB SER A 13 1.074 -7.507 -0.852 1.00 0.00 C ATOM 164 OG SER A 13 1.167 -6.209 -1.428 1.00 0.00 O ATOM 0 H SER A 13 0.331 -7.880 1.401 1.00 0.00 H new ATOM 0 HA SER A 13 2.871 -8.392 0.000 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.235 -8.268 -1.616 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.074 -7.667 -0.449 1.00 0.00 H new ATOM 0 HG SER A 13 0.500 -6.119 -2.141 1.00 0.00 H new ATOM 170 N CYS A 14 2.299 -5.486 1.340 1.00 0.00 N ATOM 171 CA CYS A 14 2.946 -4.198 1.636 1.00 0.00 C ATOM 172 C CYS A 14 3.905 -4.391 2.804 1.00 0.00 C ATOM 173 O CYS A 14 5.028 -3.927 2.799 1.00 0.00 O ATOM 174 CB CYS A 14 1.785 -3.304 2.051 1.00 0.00 C ATOM 175 SG CYS A 14 0.891 -2.727 0.587 1.00 0.00 S ATOM 0 H CYS A 14 1.423 -5.652 1.836 1.00 0.00 H new ATOM 0 HA CYS A 14 3.515 -3.785 0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.109 -3.853 2.707 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.157 -2.451 2.619 1.00 0.00 H new ATOM 0 HG CYS A 14 0.237 -1.642 0.878 1.00 0.00 H new ATOM 180 N LYS A 15 3.455 -5.089 3.805 1.00 0.00 N ATOM 181 CA LYS A 15 4.309 -5.350 4.993 1.00 0.00 C ATOM 182 C LYS A 15 5.510 -6.217 4.602 1.00 0.00 C ATOM 183 O LYS A 15 6.542 -6.190 5.243 1.00 0.00 O ATOM 184 CB LYS A 15 3.391 -6.109 5.953 1.00 0.00 C ATOM 185 CG LYS A 15 2.234 -5.201 6.379 1.00 0.00 C ATOM 186 CD LYS A 15 1.539 -5.802 7.603 1.00 0.00 C ATOM 187 CE LYS A 15 2.480 -5.741 8.808 1.00 0.00 C ATOM 188 NZ LYS A 15 2.252 -7.017 9.542 1.00 0.00 N ATOM 0 H LYS A 15 2.520 -5.495 3.851 1.00 0.00 H new ATOM 0 HA LYS A 15 4.711 -4.437 5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.004 -7.006 5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.953 -6.435 6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.607 -4.204 6.612 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.523 -5.092 5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.621 -5.255 7.818 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.255 -6.835 7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.519 -5.648 8.493 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.259 -4.879 9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.864 -7.048 10.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.256 -7.075 9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.477 -7.820 8.921 1.00 0.00 H new ATOM 202 N ASN A 16 5.381 -6.988 3.555 1.00 0.00 N ATOM 203 CA ASN A 16 6.515 -7.861 3.127 1.00 0.00 C ATOM 204 C ASN A 16 6.945 -7.519 1.695 1.00 0.00 C ATOM 205 O ASN A 16 8.008 -6.975 1.471 1.00 0.00 O ATOM 206 CB ASN A 16 5.969 -9.292 3.195 1.00 0.00 C ATOM 207 CG ASN A 16 5.111 -9.464 4.452 1.00 0.00 C ATOM 208 OD1 ASN A 16 4.138 -10.189 4.442 1.00 0.00 O ATOM 209 ND2 ASN A 16 5.435 -8.823 5.542 1.00 0.00 N ATOM 0 H ASN A 16 4.542 -7.052 2.978 1.00 0.00 H new ATOM 0 HA ASN A 16 7.392 -7.729 3.760 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.375 -9.506 2.307 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.794 -10.005 3.207 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.870 -8.932 6.385 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.253 -8.213 5.551 1.00 0.00 H new ATOM 216 N ASN A 17 6.128 -7.835 0.726 1.00 0.00 N ATOM 217 CA ASN A 17 6.492 -7.529 -0.689 1.00 0.00 C ATOM 218 C ASN A 17 6.881 -6.061 -0.829 1.00 0.00 C ATOM 219 O ASN A 17 6.039 -5.185 -0.865 1.00 0.00 O ATOM 220 CB ASN A 17 5.233 -7.832 -1.502 1.00 0.00 C ATOM 221 CG ASN A 17 5.567 -8.843 -2.601 1.00 0.00 C ATOM 222 OD1 ASN A 17 6.681 -8.885 -3.084 1.00 0.00 O ATOM 223 ND2 ASN A 17 4.645 -9.664 -3.018 1.00 0.00 N ATOM 0 H ASN A 17 5.225 -8.292 0.852 1.00 0.00 H new ATOM 0 HA ASN A 17 7.345 -8.116 -1.030 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.454 -8.230 -0.852 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.842 -6.915 -1.943 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.859 -10.342 -3.750 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.710 -9.629 -2.613 1.00 0.00 H new ATOM 230 N GLU A 18 8.151 -5.785 -0.915 1.00 0.00 N ATOM 231 CA GLU A 18 8.589 -4.373 -1.061 1.00 0.00 C ATOM 232 C GLU A 18 8.471 -3.939 -2.523 1.00 0.00 C ATOM 233 O GLU A 18 8.920 -2.877 -2.907 1.00 0.00 O ATOM 234 CB GLU A 18 10.048 -4.350 -0.608 1.00 0.00 C ATOM 235 CG GLU A 18 10.905 -5.142 -1.596 1.00 0.00 C ATOM 236 CD GLU A 18 11.589 -6.296 -0.863 1.00 0.00 C ATOM 237 OE1 GLU A 18 12.046 -6.078 0.246 1.00 0.00 O ATOM 238 OE2 GLU A 18 11.642 -7.379 -1.422 1.00 0.00 O ATOM 0 H GLU A 18 8.902 -6.475 -0.890 1.00 0.00 H new ATOM 0 HA GLU A 18 7.977 -3.689 -0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.404 -3.322 -0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.136 -4.779 0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.285 -5.527 -2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.652 -4.491 -2.050 1.00 0.00 H new ATOM 245 N GLN A 19 7.869 -4.753 -3.342 1.00 0.00 N ATOM 246 CA GLN A 19 7.722 -4.381 -4.778 1.00 0.00 C ATOM 247 C GLN A 19 6.689 -3.273 -4.926 1.00 0.00 C ATOM 248 O GLN A 19 6.647 -2.559 -5.908 1.00 0.00 O ATOM 249 CB GLN A 19 7.253 -5.658 -5.476 1.00 0.00 C ATOM 250 CG GLN A 19 8.209 -6.000 -6.620 1.00 0.00 C ATOM 251 CD GLN A 19 7.408 -6.503 -7.822 1.00 0.00 C ATOM 252 OE1 GLN A 19 6.877 -7.597 -7.797 1.00 0.00 O ATOM 253 NE2 GLN A 19 7.297 -5.748 -8.880 1.00 0.00 N ATOM 0 H GLN A 19 7.473 -5.657 -3.082 1.00 0.00 H new ATOM 0 HA GLN A 19 8.651 -4.007 -5.207 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.215 -6.481 -4.762 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.242 -5.523 -5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.789 -5.120 -6.899 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.920 -6.762 -6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.742 -4.831 -8.901 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.765 -6.075 -9.686 1.00 0.00 H new ATOM 262 N CYS A 20 5.856 -3.146 -3.952 1.00 0.00 N ATOM 263 CA CYS A 20 4.793 -2.113 -3.981 1.00 0.00 C ATOM 264 C CYS A 20 5.019 -1.059 -2.886 1.00 0.00 C ATOM 265 O CYS A 20 4.209 -0.174 -2.689 1.00 0.00 O ATOM 266 CB CYS A 20 3.525 -2.911 -3.723 1.00 0.00 C ATOM 267 SG CYS A 20 3.629 -3.713 -2.104 1.00 0.00 S ATOM 0 H CYS A 20 5.862 -3.726 -3.113 1.00 0.00 H new ATOM 0 HA CYS A 20 4.762 -1.557 -4.918 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.656 -2.254 -3.759 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.390 -3.660 -4.503 1.00 0.00 H new ATOM 0 HG CYS A 20 4.739 -4.385 -2.023 1.00 0.00 H new ATOM 272 N GLN A 21 6.115 -1.140 -2.180 1.00 0.00 N ATOM 273 CA GLN A 21 6.394 -0.135 -1.106 1.00 0.00 C ATOM 274 C GLN A 21 7.133 1.067 -1.695 1.00 0.00 C ATOM 275 O GLN A 21 7.690 1.882 -0.987 1.00 0.00 O ATOM 276 CB GLN A 21 7.279 -0.870 -0.101 1.00 0.00 C ATOM 277 CG GLN A 21 8.691 -1.068 -0.667 1.00 0.00 C ATOM 278 CD GLN A 21 9.722 -0.747 0.418 1.00 0.00 C ATOM 279 OE1 GLN A 21 10.579 0.092 0.228 1.00 0.00 O ATOM 280 NE2 GLN A 21 9.673 -1.386 1.554 1.00 0.00 N ATOM 0 H GLN A 21 6.831 -1.857 -2.298 1.00 0.00 H new ATOM 0 HA GLN A 21 5.483 0.246 -0.644 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.330 -0.303 0.829 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.839 -1.838 0.139 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.816 -2.095 -1.011 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.843 -0.421 -1.531 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.953 -2.090 1.712 1.00 0.00 H new ATOM 0 HE22 GLN A 21 10.355 -1.181 2.284 1.00 0.00 H new ATOM 289 N LYS A 22 7.155 1.159 -2.991 1.00 0.00 N ATOM 290 CA LYS A 22 7.871 2.280 -3.661 1.00 0.00 C ATOM 291 C LYS A 22 7.088 3.575 -3.584 1.00 0.00 C ATOM 292 O LYS A 22 7.538 4.567 -3.046 1.00 0.00 O ATOM 293 CB LYS A 22 8.021 1.833 -5.114 1.00 0.00 C ATOM 294 CG LYS A 22 9.317 1.036 -5.265 1.00 0.00 C ATOM 295 CD LYS A 22 8.995 -0.456 -5.351 1.00 0.00 C ATOM 296 CE LYS A 22 9.852 -1.101 -6.442 1.00 0.00 C ATOM 297 NZ LYS A 22 11.231 -1.137 -5.881 1.00 0.00 N ATOM 0 H LYS A 22 6.703 0.499 -3.624 1.00 0.00 H new ATOM 0 HA LYS A 22 8.829 2.483 -3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.168 1.222 -5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.035 2.700 -5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.850 1.355 -6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.975 1.228 -4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.187 -0.936 -4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.937 -0.598 -5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.497 -2.104 -6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.817 -0.522 -7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.836 -1.728 -6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.616 -0.172 -5.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.205 -1.536 -4.921 1.00 0.00 H new ATOM 311 N SER A 23 5.937 3.572 -4.144 1.00 0.00 N ATOM 312 CA SER A 23 5.108 4.815 -4.144 1.00 0.00 C ATOM 313 C SER A 23 3.609 4.511 -4.191 1.00 0.00 C ATOM 314 O SER A 23 2.889 5.030 -5.021 1.00 0.00 O ATOM 315 CB SER A 23 5.537 5.561 -5.404 1.00 0.00 C ATOM 316 OG SER A 23 6.538 6.513 -5.067 1.00 0.00 O ATOM 0 H SER A 23 5.516 2.768 -4.609 1.00 0.00 H new ATOM 0 HA SER A 23 5.261 5.392 -3.232 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.921 4.859 -6.144 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.680 6.061 -5.854 1.00 0.00 H new ATOM 0 HG SER A 23 7.114 6.147 -4.363 1.00 0.00 H new ATOM 322 N CYS A 24 3.128 3.703 -3.296 1.00 0.00 N ATOM 323 CA CYS A 24 1.687 3.394 -3.263 1.00 0.00 C ATOM 324 C CYS A 24 0.954 4.546 -2.576 1.00 0.00 C ATOM 325 O CYS A 24 1.313 4.965 -1.507 1.00 0.00 O ATOM 326 CB CYS A 24 1.652 2.083 -2.483 1.00 0.00 C ATOM 327 SG CYS A 24 1.453 2.353 -0.709 1.00 0.00 S ATOM 0 H CYS A 24 3.684 3.239 -2.578 1.00 0.00 H new ATOM 0 HA CYS A 24 1.197 3.287 -4.231 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.832 1.465 -2.849 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.573 1.529 -2.664 1.00 0.00 H new ATOM 0 HG CYS A 24 0.914 3.518 -0.505 1.00 0.00 H new ATOM 332 N SER A 25 -0.046 5.092 -3.196 1.00 0.00 N ATOM 333 CA SER A 25 -0.754 6.252 -2.569 1.00 0.00 C ATOM 334 C SER A 25 -1.698 5.797 -1.468 1.00 0.00 C ATOM 335 O SER A 25 -2.567 6.533 -1.044 1.00 0.00 O ATOM 336 CB SER A 25 -1.527 6.915 -3.709 1.00 0.00 C ATOM 337 OG SER A 25 -1.988 5.915 -4.607 1.00 0.00 O ATOM 0 H SER A 25 -0.408 4.795 -4.102 1.00 0.00 H new ATOM 0 HA SER A 25 -0.053 6.940 -2.096 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.370 7.480 -3.312 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.887 7.624 -4.234 1.00 0.00 H new ATOM 0 HG SER A 25 -2.486 6.336 -5.338 1.00 0.00 H new ATOM 343 N CYS A 26 -1.529 4.609 -0.973 1.00 0.00 N ATOM 344 CA CYS A 26 -2.400 4.152 0.113 1.00 0.00 C ATOM 345 C CYS A 26 -2.398 5.181 1.239 1.00 0.00 C ATOM 346 O CYS A 26 -1.422 5.306 1.952 1.00 0.00 O ATOM 347 CB CYS A 26 -1.730 2.876 0.576 1.00 0.00 C ATOM 348 SG CYS A 26 -2.308 1.492 -0.437 1.00 0.00 S ATOM 0 H CYS A 26 -0.822 3.941 -1.280 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.437 4.009 -0.190 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.647 2.971 0.497 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.958 2.693 1.626 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.084 0.374 0.187 1.00 0.00 H new ATOM 353 N PRO A 27 -3.491 5.871 1.388 1.00 0.00 N ATOM 354 CA PRO A 27 -3.588 6.870 2.470 1.00 0.00 C ATOM 355 C PRO A 27 -3.512 6.129 3.781 1.00 0.00 C ATOM 356 O PRO A 27 -4.494 5.602 4.234 1.00 0.00 O ATOM 357 CB PRO A 27 -4.949 7.524 2.239 1.00 0.00 C ATOM 358 CG PRO A 27 -5.726 6.506 1.468 1.00 0.00 C ATOM 359 CD PRO A 27 -4.724 5.786 0.602 1.00 0.00 C ATOM 0 HA PRO A 27 -2.800 7.623 2.485 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.438 7.766 3.182 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.852 8.456 1.682 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.232 5.812 2.139 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.496 6.981 0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.017 4.752 0.420 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.616 6.263 -0.372 1.00 0.00 H new ATOM 367 N THR A 28 -2.314 6.060 4.329 1.00 0.00 N ATOM 368 CA THR A 28 -2.031 5.291 5.581 1.00 0.00 C ATOM 369 C THR A 28 -3.258 5.165 6.445 1.00 0.00 C ATOM 370 O THR A 28 -3.427 5.743 7.501 1.00 0.00 O ATOM 371 CB THR A 28 -0.901 6.039 6.277 1.00 0.00 C ATOM 372 OG1 THR A 28 -1.218 7.423 6.349 1.00 0.00 O ATOM 373 CG2 THR A 28 0.378 5.840 5.466 1.00 0.00 C ATOM 0 H THR A 28 -1.494 6.525 3.939 1.00 0.00 H new ATOM 0 HA THR A 28 -1.739 4.263 5.365 1.00 0.00 H new ATOM 0 HB THR A 28 -0.763 5.659 7.289 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.491 7.902 6.798 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.200 6.368 5.948 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.612 4.777 5.411 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.235 6.232 4.459 1.00 0.00 H new ATOM 381 N GLY A 29 -4.084 4.359 5.918 1.00 0.00 N ATOM 382 CA GLY A 29 -5.383 3.989 6.498 1.00 0.00 C ATOM 383 C GLY A 29 -5.844 2.694 5.809 1.00 0.00 C ATOM 384 O GLY A 29 -6.718 2.007 6.299 1.00 0.00 O ATOM 0 H GLY A 29 -3.901 3.896 5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.294 3.840 7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.112 4.785 6.345 1.00 0.00 H new ATOM 388 N CYS A 30 -5.270 2.346 4.659 1.00 0.00 N ATOM 389 CA CYS A 30 -5.713 1.099 3.975 1.00 0.00 C ATOM 390 C CYS A 30 -5.689 -0.078 4.952 1.00 0.00 C ATOM 391 O CYS A 30 -4.650 -0.473 5.444 1.00 0.00 O ATOM 392 CB CYS A 30 -4.700 0.898 2.851 1.00 0.00 C ATOM 393 SG CYS A 30 -5.374 -0.244 1.619 1.00 0.00 S ATOM 0 H CYS A 30 -4.532 2.869 4.187 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.733 1.166 3.597 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.466 1.855 2.384 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.768 0.504 3.255 1.00 0.00 H new ATOM 0 HG CYS A 30 -6.248 0.377 0.884 1.00 0.00 H new ATOM 398 N ASN A 31 -6.832 -0.636 5.239 1.00 0.00 N ATOM 399 CA ASN A 31 -6.889 -1.786 6.191 1.00 0.00 C ATOM 400 C ASN A 31 -7.774 -2.904 5.632 1.00 0.00 C ATOM 401 O ASN A 31 -8.037 -3.886 6.297 1.00 0.00 O ATOM 402 CB ASN A 31 -7.505 -1.212 7.469 1.00 0.00 C ATOM 403 CG ASN A 31 -6.462 -0.375 8.212 1.00 0.00 C ATOM 404 OD1 ASN A 31 -5.321 -0.776 8.338 1.00 0.00 O ATOM 405 ND2 ASN A 31 -6.807 0.779 8.715 1.00 0.00 N ATOM 0 H ASN A 31 -7.732 -0.346 4.856 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.904 -2.220 6.366 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.371 -0.597 7.223 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.860 -2.020 8.108 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.120 1.344 9.214 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.764 1.116 8.609 1.00 0.00 H new ATOM 412 N SER A 32 -8.238 -2.768 4.419 1.00 0.00 N ATOM 413 CA SER A 32 -9.104 -3.828 3.834 1.00 0.00 C ATOM 414 C SER A 32 -8.391 -4.502 2.661 1.00 0.00 C ATOM 415 O SER A 32 -7.500 -3.942 2.054 1.00 0.00 O ATOM 416 CB SER A 32 -10.359 -3.098 3.359 1.00 0.00 C ATOM 417 OG SER A 32 -10.804 -2.216 4.381 1.00 0.00 O ATOM 0 H SER A 32 -8.055 -1.970 3.810 1.00 0.00 H new ATOM 0 HA SER A 32 -9.341 -4.613 4.552 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.146 -2.539 2.448 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.142 -3.817 3.116 1.00 0.00 H new ATOM 0 HG SER A 32 -11.608 -1.745 4.079 1.00 0.00 H new ATOM 423 N ASP A 33 -8.777 -5.704 2.344 1.00 0.00 N ATOM 424 CA ASP A 33 -8.126 -6.429 1.215 1.00 0.00 C ATOM 425 C ASP A 33 -8.749 -6.016 -0.121 1.00 0.00 C ATOM 426 O ASP A 33 -8.074 -5.929 -1.128 1.00 0.00 O ATOM 427 CB ASP A 33 -8.391 -7.909 1.495 1.00 0.00 C ATOM 428 CG ASP A 33 -9.897 -8.169 1.466 1.00 0.00 C ATOM 429 OD1 ASP A 33 -10.467 -8.116 0.389 1.00 0.00 O ATOM 430 OD2 ASP A 33 -10.456 -8.417 2.522 1.00 0.00 O ATOM 0 H ASP A 33 -9.518 -6.220 2.819 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.061 -6.207 1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.890 -8.527 0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.982 -8.186 2.467 1.00 0.00 H new ATOM 435 N ASP A 34 -10.031 -5.753 -0.145 1.00 0.00 N ATOM 436 CA ASP A 34 -10.677 -5.338 -1.423 1.00 0.00 C ATOM 437 C ASP A 34 -10.659 -3.830 -1.557 1.00 0.00 C ATOM 438 O ASP A 34 -11.461 -3.226 -2.240 1.00 0.00 O ATOM 439 CB ASP A 34 -12.103 -5.886 -1.381 1.00 0.00 C ATOM 440 CG ASP A 34 -12.108 -7.338 -1.863 1.00 0.00 C ATOM 441 OD1 ASP A 34 -11.259 -7.676 -2.671 1.00 0.00 O ATOM 442 OD2 ASP A 34 -12.961 -8.086 -1.417 1.00 0.00 O ATOM 0 H ASP A 34 -10.654 -5.808 0.661 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.145 -5.729 -2.290 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.496 -5.828 -0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.755 -5.281 -2.011 1.00 0.00 H new ATOM 447 N LYS A 35 -9.699 -3.246 -0.945 1.00 0.00 N ATOM 448 CA LYS A 35 -9.509 -1.784 -1.033 1.00 0.00 C ATOM 449 C LYS A 35 -8.028 -1.562 -1.224 1.00 0.00 C ATOM 450 O LYS A 35 -7.453 -0.570 -0.823 1.00 0.00 O ATOM 451 CB LYS A 35 -10.007 -1.201 0.289 1.00 0.00 C ATOM 452 CG LYS A 35 -9.976 0.328 0.220 1.00 0.00 C ATOM 453 CD LYS A 35 -11.028 0.820 -0.777 1.00 0.00 C ATOM 454 CE LYS A 35 -12.415 0.748 -0.135 1.00 0.00 C ATOM 455 NZ LYS A 35 -13.342 1.315 -1.156 1.00 0.00 N ATOM 0 H LYS A 35 -9.011 -3.729 -0.367 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.050 -1.310 -1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.021 -1.545 0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.382 -1.551 1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.170 0.750 1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.986 0.668 -0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.808 1.844 -1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.002 0.210 -1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.682 -0.279 0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.451 1.320 0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.315 1.300 -0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.067 2.295 -1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.291 0.746 -2.025 1.00 0.00 H new ATOM 469 N CYS A 36 -7.421 -2.521 -1.845 1.00 0.00 N ATOM 470 CA CYS A 36 -5.970 -2.461 -2.104 1.00 0.00 C ATOM 471 C CYS A 36 -5.674 -2.881 -3.513 1.00 0.00 C ATOM 472 O CYS A 36 -5.049 -3.899 -3.739 1.00 0.00 O ATOM 473 CB CYS A 36 -5.353 -3.479 -1.199 1.00 0.00 C ATOM 474 SG CYS A 36 -3.604 -3.083 -0.934 1.00 0.00 S ATOM 0 H CYS A 36 -7.881 -3.363 -2.191 1.00 0.00 H new ATOM 0 HA CYS A 36 -5.593 -1.451 -1.944 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -5.880 -3.498 -0.245 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.448 -4.473 -1.636 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.235 -3.509 0.237 1.00 0.00 H new ATOM 479 N PRO A 37 -6.074 -2.073 -4.413 1.00 0.00 N ATOM 480 CA PRO A 37 -5.784 -2.336 -5.809 1.00 0.00 C ATOM 481 C PRO A 37 -4.413 -1.750 -6.098 1.00 0.00 C ATOM 482 O PRO A 37 -4.148 -1.195 -7.145 1.00 0.00 O ATOM 483 CB PRO A 37 -6.932 -1.641 -6.537 1.00 0.00 C ATOM 484 CG PRO A 37 -7.450 -0.599 -5.578 1.00 0.00 C ATOM 485 CD PRO A 37 -6.829 -0.845 -4.229 1.00 0.00 C ATOM 0 HA PRO A 37 -5.734 -3.382 -6.112 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.588 -1.183 -7.464 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.714 -2.352 -6.803 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.201 0.401 -5.934 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.537 -0.652 -5.511 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.183 -0.020 -3.930 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.587 -0.954 -3.454 1.00 0.00 H new ATOM 493 N CYS A 38 -3.539 -1.879 -5.130 1.00 0.00 N ATOM 494 CA CYS A 38 -2.163 -1.348 -5.262 1.00 0.00 C ATOM 495 C CYS A 38 -1.266 -2.317 -5.989 1.00 0.00 C ATOM 496 O CYS A 38 -1.314 -3.520 -5.824 1.00 0.00 O ATOM 497 CB CYS A 38 -1.712 -1.142 -3.829 1.00 0.00 C ATOM 498 SG CYS A 38 0.092 -1.037 -3.714 1.00 0.00 S ATOM 0 H CYS A 38 -3.733 -2.340 -4.241 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.124 -0.429 -5.848 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.157 -0.229 -3.433 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.070 -1.965 -3.211 1.00 0.00 H new ATOM 0 HG CYS A 38 0.508 0.009 -4.365 1.00 0.00 H new ATOM 503 N GLY A 39 -0.434 -1.754 -6.781 1.00 0.00 N ATOM 504 CA GLY A 39 0.543 -2.546 -7.563 1.00 0.00 C ATOM 505 C GLY A 39 1.904 -1.866 -7.453 1.00 0.00 C ATOM 506 O GLY A 39 2.873 -2.289 -8.053 1.00 0.00 O ATOM 0 H GLY A 39 -0.380 -0.747 -6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.596 -3.566 -7.183 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.233 -2.610 -8.606 1.00 0.00 H new ATOM 510 N ASN A 40 1.985 -0.808 -6.684 1.00 0.00 N ATOM 511 CA ASN A 40 3.292 -0.102 -6.537 1.00 0.00 C ATOM 512 C ASN A 40 3.461 0.414 -5.104 1.00 0.00 C ATOM 513 O ASN A 40 2.559 0.203 -4.309 1.00 0.00 O ATOM 514 CB ASN A 40 3.236 1.055 -7.544 1.00 0.00 C ATOM 515 CG ASN A 40 2.528 2.266 -6.927 1.00 0.00 C ATOM 516 OD1 ASN A 40 3.111 3.324 -6.799 1.00 0.00 O ATOM 517 ND2 ASN A 40 1.288 2.156 -6.535 1.00 0.00 N ATOM 518 OXT ASN A 40 4.488 1.012 -4.827 1.00 0.00 O ATOM 0 H ASN A 40 1.209 -0.407 -6.157 1.00 0.00 H new ATOM 0 HA ASN A 40 4.142 -0.757 -6.728 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.246 1.331 -7.847 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.709 0.737 -8.444 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.811 2.957 -6.122 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.796 1.269 -6.641 1.00 0.00 H new