USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 262 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 25 ASN : amide:sc= -1.29! K(o=-1.3!,f=-12) USER MOD Set 1.2: A 40 ASN : amide:sc= 0.00165 K(o=-1.3,f=-12!) USER MOD Set 2.1: A 7 SER OG : rot 180:sc= 0.0546 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.00208 USER MOD Single : A 2 THR OG1 : rot -33:sc= 0.0432 USER MOD Single : A 12 ASN : amide:sc= -1.75 X(o=-1.7,f=-2) USER MOD Single : A 13 HIS : no HE2:sc= -10.2! C(o=-10!,f=-8.8!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -4.27! C(o=-4.3!,f=-4.3!) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= -0.069 (180deg=-0.367) USER MOD ----------------------------------------------------------------- ATOM 13 N THR A 2 -7.430 8.132 -0.324 1.00 0.00 N ATOM 14 CA THR A 2 -6.964 9.535 -0.091 1.00 0.00 C ATOM 15 C THR A 2 -5.471 9.528 0.268 1.00 0.00 C ATOM 16 O THR A 2 -4.894 10.563 0.543 1.00 0.00 O ATOM 17 CB THR A 2 -7.787 10.141 1.065 1.00 0.00 C ATOM 18 OG1 THR A 2 -7.607 9.229 2.142 1.00 0.00 O ATOM 19 CG2 THR A 2 -9.293 10.068 0.777 1.00 0.00 C ATOM 0 HA THR A 2 -7.103 10.133 -0.992 1.00 0.00 H new ATOM 0 HB THR A 2 -7.480 11.173 1.237 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.525 8.318 1.789 1.00 0.00 H new ATOM 0 HG21 THR A 2 -9.844 10.503 1.611 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.516 10.622 -0.135 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.589 9.027 0.650 1.00 0.00 H new ATOM 27 N CYS A 3 -4.902 8.347 0.251 1.00 0.00 N ATOM 28 CA CYS A 3 -3.458 8.182 0.576 1.00 0.00 C ATOM 29 C CYS A 3 -2.806 7.302 -0.504 1.00 0.00 C ATOM 30 O CYS A 3 -3.507 6.668 -1.268 1.00 0.00 O ATOM 31 CB CYS A 3 -3.367 7.539 1.966 1.00 0.00 C ATOM 32 SG CYS A 3 -1.733 7.341 2.719 1.00 0.00 S ATOM 0 H CYS A 3 -5.388 7.480 0.022 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.931 9.136 0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.976 8.133 2.647 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.826 6.552 1.906 1.00 0.00 H new ATOM 37 N ASP A 4 -1.495 7.325 -0.481 1.00 0.00 N ATOM 38 CA ASP A 4 -0.545 6.584 -1.394 1.00 0.00 C ATOM 39 C ASP A 4 0.342 7.648 -2.069 1.00 0.00 C ATOM 40 O ASP A 4 0.097 8.817 -1.854 1.00 0.00 O ATOM 41 CB ASP A 4 -1.251 5.798 -2.543 1.00 0.00 C ATOM 42 CG ASP A 4 -0.251 4.870 -3.268 1.00 0.00 C ATOM 43 OD1 ASP A 4 0.635 4.359 -2.595 1.00 0.00 O ATOM 44 OD2 ASP A 4 -0.434 4.722 -4.463 1.00 0.00 O ATOM 0 H ASP A 4 -0.993 7.887 0.207 1.00 0.00 H new ATOM 0 HA ASP A 4 -0.005 5.860 -0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -2.072 5.208 -2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.686 6.499 -3.255 1.00 0.00 H new ATOM 49 N LEU A 5 1.318 7.214 -2.842 1.00 0.00 N ATOM 50 CA LEU A 5 2.284 8.105 -3.585 1.00 0.00 C ATOM 51 C LEU A 5 2.015 9.608 -3.382 1.00 0.00 C ATOM 52 O LEU A 5 1.423 10.275 -4.208 1.00 0.00 O ATOM 53 CB LEU A 5 2.210 7.739 -5.094 1.00 0.00 C ATOM 54 CG LEU A 5 2.578 6.232 -5.340 1.00 0.00 C ATOM 55 CD1 LEU A 5 2.475 5.929 -6.851 1.00 0.00 C ATOM 56 CD2 LEU A 5 4.023 5.912 -4.869 1.00 0.00 C ATOM 0 H LEU A 5 1.493 6.221 -2.996 1.00 0.00 H new ATOM 0 HA LEU A 5 3.282 7.931 -3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.205 7.935 -5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.890 8.377 -5.658 1.00 0.00 H new ATOM 0 HG LEU A 5 1.883 5.617 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.729 4.884 -7.031 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.457 6.119 -7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.166 6.570 -7.399 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.242 4.861 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.731 6.533 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.112 6.118 -3.802 1.00 0.00 H new ATOM 68 N LEU A 6 2.480 10.080 -2.253 1.00 0.00 N ATOM 69 CA LEU A 6 2.304 11.514 -1.878 1.00 0.00 C ATOM 70 C LEU A 6 3.434 12.344 -2.496 1.00 0.00 C ATOM 71 O LEU A 6 3.202 13.202 -3.327 1.00 0.00 O ATOM 72 CB LEU A 6 2.333 11.611 -0.329 1.00 0.00 C ATOM 73 CG LEU A 6 1.227 10.723 0.316 1.00 0.00 C ATOM 74 CD1 LEU A 6 1.471 10.610 1.835 1.00 0.00 C ATOM 75 CD2 LEU A 6 -0.159 11.359 0.090 1.00 0.00 C ATOM 0 H LEU A 6 2.983 9.521 -1.564 1.00 0.00 H new ATOM 0 HA LEU A 6 1.356 11.901 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.311 11.301 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.192 12.648 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 6 1.261 9.736 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.696 9.988 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.447 10.158 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.443 11.603 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.926 10.731 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.184 12.349 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.349 11.447 -0.980 1.00 0.00 H new ATOM 87 N SER A 7 4.625 12.048 -2.053 1.00 0.00 N ATOM 88 CA SER A 7 5.852 12.748 -2.537 1.00 0.00 C ATOM 89 C SER A 7 6.862 11.668 -2.942 1.00 0.00 C ATOM 90 O SER A 7 6.574 10.486 -2.923 1.00 0.00 O ATOM 91 CB SER A 7 6.405 13.622 -1.378 1.00 0.00 C ATOM 92 OG SER A 7 7.530 14.319 -1.902 1.00 0.00 O ATOM 0 H SER A 7 4.805 11.327 -1.354 1.00 0.00 H new ATOM 0 HA SER A 7 5.648 13.394 -3.390 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.647 14.320 -1.022 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.693 13.003 -0.528 1.00 0.00 H new ATOM 0 HG SER A 7 7.916 14.889 -1.204 1.00 0.00 H new ATOM 98 N GLY A 8 8.025 12.141 -3.292 1.00 0.00 N ATOM 99 CA GLY A 8 9.155 11.265 -3.707 1.00 0.00 C ATOM 100 C GLY A 8 9.929 11.056 -2.394 1.00 0.00 C ATOM 101 O GLY A 8 10.622 10.074 -2.216 1.00 0.00 O ATOM 0 H GLY A 8 8.246 13.137 -3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.803 10.321 -4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.774 11.738 -4.470 1.00 0.00 H new ATOM 105 N THR A 9 9.760 12.018 -1.513 1.00 0.00 N ATOM 106 CA THR A 9 10.411 12.021 -0.172 1.00 0.00 C ATOM 107 C THR A 9 9.267 12.062 0.865 1.00 0.00 C ATOM 108 O THR A 9 9.280 12.841 1.799 1.00 0.00 O ATOM 109 CB THR A 9 11.311 13.273 -0.073 1.00 0.00 C ATOM 110 OG1 THR A 9 10.445 14.352 -0.408 1.00 0.00 O ATOM 111 CG2 THR A 9 12.388 13.281 -1.172 1.00 0.00 C ATOM 0 H THR A 9 9.171 12.833 -1.684 1.00 0.00 H new ATOM 0 HA THR A 9 11.036 11.144 0.000 1.00 0.00 H new ATOM 0 HB THR A 9 11.786 13.319 0.907 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.942 15.195 -0.368 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.003 14.176 -1.072 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.016 12.396 -1.072 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.909 13.277 -2.151 1.00 0.00 H new ATOM 119 N GLY A 10 8.307 11.198 0.651 1.00 0.00 N ATOM 120 CA GLY A 10 7.114 11.093 1.554 1.00 0.00 C ATOM 121 C GLY A 10 7.222 9.774 2.312 1.00 0.00 C ATOM 122 O GLY A 10 8.313 9.255 2.455 1.00 0.00 O ATOM 0 H GLY A 10 8.298 10.543 -0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.085 11.932 2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.191 11.127 0.975 1.00 0.00 H new ATOM 126 N ILE A 11 6.117 9.247 2.785 1.00 0.00 N ATOM 127 CA ILE A 11 6.195 7.949 3.536 1.00 0.00 C ATOM 128 C ILE A 11 6.731 6.858 2.574 1.00 0.00 C ATOM 129 O ILE A 11 7.178 5.818 3.009 1.00 0.00 O ATOM 130 CB ILE A 11 4.764 7.601 4.109 1.00 0.00 C ATOM 131 CG1 ILE A 11 3.786 6.963 3.091 1.00 0.00 C ATOM 132 CG2 ILE A 11 4.118 8.859 4.741 1.00 0.00 C ATOM 133 CD1 ILE A 11 3.847 5.421 3.249 1.00 0.00 C ATOM 0 H ILE A 11 5.184 9.647 2.688 1.00 0.00 H new ATOM 0 HA ILE A 11 6.878 8.016 4.383 1.00 0.00 H new ATOM 0 HB ILE A 11 4.940 6.835 4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.771 7.322 3.265 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.056 7.251 2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.133 8.605 5.132 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.748 9.222 5.553 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.018 9.636 3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.164 4.955 2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.862 5.075 3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.558 5.147 4.264 1.00 0.00 H new ATOM 145 N ASN A 12 6.645 7.168 1.297 1.00 0.00 N ATOM 146 CA ASN A 12 7.097 6.322 0.144 1.00 0.00 C ATOM 147 C ASN A 12 6.150 5.213 -0.334 1.00 0.00 C ATOM 148 O ASN A 12 5.924 5.128 -1.525 1.00 0.00 O ATOM 149 CB ASN A 12 8.538 5.732 0.500 1.00 0.00 C ATOM 150 CG ASN A 12 8.589 4.214 0.740 1.00 0.00 C ATOM 151 OD1 ASN A 12 7.990 3.681 1.651 1.00 0.00 O ATOM 152 ND2 ASN A 12 9.304 3.481 -0.068 1.00 0.00 N ATOM 0 H ASN A 12 6.243 8.054 0.990 1.00 0.00 H new ATOM 0 HA ASN A 12 7.118 6.990 -0.717 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.223 5.977 -0.312 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.908 6.236 1.393 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.355 2.472 0.070 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.812 3.917 -0.837 1.00 0.00 H new ATOM 159 N HIS A 13 5.633 4.405 0.561 1.00 0.00 N ATOM 160 CA HIS A 13 4.689 3.274 0.191 1.00 0.00 C ATOM 161 C HIS A 13 5.580 2.163 -0.418 1.00 0.00 C ATOM 162 O HIS A 13 6.783 2.291 -0.341 1.00 0.00 O ATOM 163 CB HIS A 13 3.615 3.766 -0.860 1.00 0.00 C ATOM 164 CG HIS A 13 3.006 5.098 -0.386 1.00 0.00 C ATOM 165 ND1 HIS A 13 2.097 5.228 0.546 1.00 0.00 N ATOM 166 CD2 HIS A 13 3.287 6.392 -0.812 1.00 0.00 C ATOM 167 CE1 HIS A 13 1.798 6.478 0.725 1.00 0.00 C ATOM 168 NE2 HIS A 13 2.522 7.173 -0.096 1.00 0.00 N ATOM 0 H HIS A 13 5.824 4.475 1.560 1.00 0.00 H new ATOM 0 HA HIS A 13 4.137 2.913 1.059 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.079 3.894 -1.838 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.832 3.016 -0.974 1.00 0.00 H new ATOM 0 HD1 HIS A 13 1.680 4.453 1.061 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.991 6.689 -1.575 1.00 0.00 H new ATOM 0 HE1 HIS A 13 1.078 6.868 1.429 1.00 0.00 H new ATOM 177 N SER A 14 5.025 1.115 -0.985 1.00 0.00 N ATOM 178 CA SER A 14 5.843 -0.006 -1.603 1.00 0.00 C ATOM 179 C SER A 14 6.217 -1.055 -0.543 1.00 0.00 C ATOM 180 O SER A 14 6.087 -2.235 -0.788 1.00 0.00 O ATOM 181 CB SER A 14 7.177 0.512 -2.257 1.00 0.00 C ATOM 182 OG SER A 14 7.651 -0.602 -3.003 1.00 0.00 O ATOM 0 H SER A 14 4.016 0.978 -1.051 1.00 0.00 H new ATOM 0 HA SER A 14 5.214 -0.444 -2.378 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.998 1.375 -2.899 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.898 0.822 -1.501 1.00 0.00 H new ATOM 0 HG SER A 14 8.490 -0.363 -3.450 1.00 0.00 H new ATOM 188 N ALA A 15 6.689 -0.620 0.605 1.00 0.00 N ATOM 189 CA ALA A 15 7.065 -1.597 1.690 1.00 0.00 C ATOM 190 C ALA A 15 5.867 -2.548 1.865 1.00 0.00 C ATOM 191 O ALA A 15 5.979 -3.759 1.859 1.00 0.00 O ATOM 192 CB ALA A 15 7.333 -0.835 2.993 1.00 0.00 C ATOM 0 H ALA A 15 6.831 0.363 0.840 1.00 0.00 H new ATOM 0 HA ALA A 15 7.966 -2.154 1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.605 -1.541 3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.150 -0.130 2.841 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.435 -0.292 3.288 1.00 0.00 H new ATOM 198 N CYS A 16 4.730 -1.917 2.014 1.00 0.00 N ATOM 199 CA CYS A 16 3.443 -2.649 2.189 1.00 0.00 C ATOM 200 C CYS A 16 3.219 -3.525 0.946 1.00 0.00 C ATOM 201 O CYS A 16 2.796 -4.660 1.055 1.00 0.00 O ATOM 202 CB CYS A 16 2.339 -1.598 2.361 1.00 0.00 C ATOM 203 SG CYS A 16 2.540 -0.509 3.795 1.00 0.00 S ATOM 0 H CYS A 16 4.640 -0.901 2.022 1.00 0.00 H new ATOM 0 HA CYS A 16 3.445 -3.300 3.063 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.297 -0.985 1.461 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.380 -2.110 2.443 1.00 0.00 H new ATOM 208 N ALA A 17 3.513 -2.976 -0.210 1.00 0.00 N ATOM 209 CA ALA A 17 3.331 -3.751 -1.478 1.00 0.00 C ATOM 210 C ALA A 17 4.069 -5.069 -1.362 1.00 0.00 C ATOM 211 O ALA A 17 3.441 -6.090 -1.500 1.00 0.00 O ATOM 212 CB ALA A 17 3.886 -2.965 -2.693 1.00 0.00 C ATOM 0 H ALA A 17 3.870 -2.028 -0.329 1.00 0.00 H new ATOM 0 HA ALA A 17 2.265 -3.922 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.742 -3.550 -3.601 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.358 -2.016 -2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.950 -2.776 -2.549 1.00 0.00 H new ATOM 218 N ALA A 18 5.355 -5.032 -1.121 1.00 0.00 N ATOM 219 CA ALA A 18 6.161 -6.296 -0.984 1.00 0.00 C ATOM 220 C ALA A 18 5.340 -7.357 -0.219 1.00 0.00 C ATOM 221 O ALA A 18 5.107 -8.451 -0.694 1.00 0.00 O ATOM 222 CB ALA A 18 7.461 -5.970 -0.231 1.00 0.00 C ATOM 0 H ALA A 18 5.892 -4.172 -1.011 1.00 0.00 H new ATOM 0 HA ALA A 18 6.405 -6.697 -1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.056 -6.877 -0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.029 -5.227 -0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.220 -5.575 0.756 1.00 0.00 H new ATOM 228 N HIS A 19 4.924 -6.975 0.963 1.00 0.00 N ATOM 229 CA HIS A 19 4.108 -7.887 1.828 1.00 0.00 C ATOM 230 C HIS A 19 2.908 -8.445 1.021 1.00 0.00 C ATOM 231 O HIS A 19 2.717 -9.642 0.913 1.00 0.00 O ATOM 232 CB HIS A 19 3.643 -7.068 3.048 1.00 0.00 C ATOM 233 CG HIS A 19 2.849 -7.947 4.015 1.00 0.00 C ATOM 234 ND1 HIS A 19 3.326 -8.999 4.627 1.00 0.00 N ATOM 235 CD2 HIS A 19 1.529 -7.826 4.434 1.00 0.00 C ATOM 236 CE1 HIS A 19 2.417 -9.534 5.383 1.00 0.00 C ATOM 237 NE2 HIS A 19 1.337 -8.820 5.260 1.00 0.00 N ATOM 0 H HIS A 19 5.116 -6.060 1.371 1.00 0.00 H new ATOM 0 HA HIS A 19 4.692 -8.744 2.164 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.507 -6.644 3.559 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.026 -6.232 2.718 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.815 -7.071 4.140 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.536 -10.412 6.001 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.459 -9.010 5.743 1.00 0.00 H new ATOM 246 N CYS A 20 2.132 -7.541 0.475 1.00 0.00 N ATOM 247 CA CYS A 20 0.933 -7.926 -0.340 1.00 0.00 C ATOM 248 C CYS A 20 1.325 -8.898 -1.478 1.00 0.00 C ATOM 249 O CYS A 20 0.692 -9.916 -1.677 1.00 0.00 O ATOM 250 CB CYS A 20 0.315 -6.641 -0.904 1.00 0.00 C ATOM 251 SG CYS A 20 -0.185 -5.390 0.303 1.00 0.00 S ATOM 0 H CYS A 20 2.280 -6.535 0.560 1.00 0.00 H new ATOM 0 HA CYS A 20 0.208 -8.447 0.285 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.033 -6.188 -1.587 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.559 -6.914 -1.495 1.00 0.00 H new ATOM 256 N LEU A 21 2.356 -8.532 -2.195 1.00 0.00 N ATOM 257 CA LEU A 21 2.891 -9.343 -3.331 1.00 0.00 C ATOM 258 C LEU A 21 3.048 -10.793 -2.866 1.00 0.00 C ATOM 259 O LEU A 21 2.494 -11.681 -3.483 1.00 0.00 O ATOM 260 CB LEU A 21 4.257 -8.721 -3.772 1.00 0.00 C ATOM 261 CG LEU A 21 4.102 -7.724 -4.965 1.00 0.00 C ATOM 262 CD1 LEU A 21 3.738 -8.495 -6.254 1.00 0.00 C ATOM 263 CD2 LEU A 21 3.030 -6.639 -4.688 1.00 0.00 C ATOM 0 H LEU A 21 2.870 -7.666 -2.031 1.00 0.00 H new ATOM 0 HA LEU A 21 2.215 -9.335 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.707 -8.203 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.942 -9.520 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 21 5.060 -7.218 -5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.632 -7.792 -7.081 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.527 -9.211 -6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.798 -9.027 -6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.959 -5.970 -5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.065 -7.116 -4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.312 -6.067 -3.804 1.00 0.00 H new ATOM 275 N LEU A 22 3.799 -10.976 -1.802 1.00 0.00 N ATOM 276 CA LEU A 22 4.033 -12.346 -1.229 1.00 0.00 C ATOM 277 C LEU A 22 2.696 -13.098 -1.166 1.00 0.00 C ATOM 278 O LEU A 22 2.579 -14.189 -1.686 1.00 0.00 O ATOM 279 CB LEU A 22 4.634 -12.226 0.194 1.00 0.00 C ATOM 280 CG LEU A 22 6.019 -11.517 0.169 1.00 0.00 C ATOM 281 CD1 LEU A 22 6.502 -11.310 1.620 1.00 0.00 C ATOM 282 CD2 LEU A 22 7.063 -12.375 -0.588 1.00 0.00 C ATOM 0 H LEU A 22 4.267 -10.223 -1.298 1.00 0.00 H new ATOM 0 HA LEU A 22 4.732 -12.892 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.950 -11.668 0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.740 -13.219 0.630 1.00 0.00 H new ATOM 0 HG LEU A 22 5.913 -10.560 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.472 -10.814 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.783 -10.693 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.593 -12.277 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.023 -11.859 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.171 -13.339 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.730 -12.531 -1.614 1.00 0.00 H new ATOM 294 N ARG A 23 1.735 -12.480 -0.518 1.00 0.00 N ATOM 295 CA ARG A 23 0.365 -13.088 -0.382 1.00 0.00 C ATOM 296 C ARG A 23 -0.114 -13.563 -1.777 1.00 0.00 C ATOM 297 O ARG A 23 -0.541 -14.687 -1.957 1.00 0.00 O ATOM 298 CB ARG A 23 -0.616 -12.026 0.181 1.00 0.00 C ATOM 299 CG ARG A 23 -1.138 -12.396 1.580 1.00 0.00 C ATOM 300 CD ARG A 23 -2.147 -11.307 2.023 1.00 0.00 C ATOM 301 NE ARG A 23 -2.765 -11.727 3.318 1.00 0.00 N ATOM 302 CZ ARG A 23 -2.687 -10.968 4.377 1.00 0.00 C ATOM 303 NH1 ARG A 23 -3.425 -9.893 4.435 1.00 0.00 N ATOM 304 NH2 ARG A 23 -1.874 -11.317 5.335 1.00 0.00 N ATOM 0 H ARG A 23 1.841 -11.569 -0.071 1.00 0.00 H new ATOM 0 HA ARG A 23 0.399 -13.938 0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.114 -11.059 0.227 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.459 -11.915 -0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.619 -13.374 1.560 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.313 -12.461 2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.642 -10.348 2.138 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.916 -11.173 1.263 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.255 -12.620 3.375 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.048 -9.660 3.662 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.379 -9.286 5.254 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.317 -12.167 5.247 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.795 -10.740 6.173 1.00 0.00 H new ATOM 318 N GLY A 24 -0.012 -12.644 -2.702 1.00 0.00 N ATOM 319 CA GLY A 24 -0.409 -12.865 -4.130 1.00 0.00 C ATOM 320 C GLY A 24 -1.329 -11.728 -4.576 1.00 0.00 C ATOM 321 O GLY A 24 -2.400 -11.953 -5.103 1.00 0.00 O ATOM 0 H GLY A 24 0.346 -11.707 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.476 -12.903 -4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.918 -13.823 -4.235 1.00 0.00 H new ATOM 325 N ASN A 25 -0.853 -10.531 -4.340 1.00 0.00 N ATOM 326 CA ASN A 25 -1.607 -9.284 -4.701 1.00 0.00 C ATOM 327 C ASN A 25 -0.718 -8.357 -5.537 1.00 0.00 C ATOM 328 O ASN A 25 0.468 -8.590 -5.645 1.00 0.00 O ATOM 329 CB ASN A 25 -2.015 -8.568 -3.413 1.00 0.00 C ATOM 330 CG ASN A 25 -2.896 -9.479 -2.568 1.00 0.00 C ATOM 331 OD1 ASN A 25 -4.104 -9.491 -2.686 1.00 0.00 O ATOM 332 ND2 ASN A 25 -2.314 -10.263 -1.710 1.00 0.00 N ATOM 0 H ASN A 25 0.051 -10.359 -3.900 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.490 -9.547 -5.283 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.127 -8.282 -2.849 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.551 -7.649 -3.652 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.873 -10.891 -1.133 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.299 -10.250 -1.614 1.00 0.00 H new ATOM 339 N ARG A 26 -1.316 -7.339 -6.106 1.00 0.00 N ATOM 340 CA ARG A 26 -0.526 -6.369 -6.933 1.00 0.00 C ATOM 341 C ARG A 26 -0.819 -4.926 -6.485 1.00 0.00 C ATOM 342 O ARG A 26 -0.969 -4.023 -7.286 1.00 0.00 O ATOM 343 CB ARG A 26 -0.867 -6.547 -8.462 1.00 0.00 C ATOM 344 CG ARG A 26 -2.363 -6.413 -8.843 1.00 0.00 C ATOM 345 CD ARG A 26 -3.094 -7.752 -8.622 1.00 0.00 C ATOM 346 NE ARG A 26 -4.439 -7.648 -9.261 1.00 0.00 N ATOM 347 CZ ARG A 26 -4.765 -8.432 -10.248 1.00 0.00 C ATOM 348 NH1 ARG A 26 -5.222 -9.619 -9.972 1.00 0.00 N ATOM 349 NH2 ARG A 26 -4.615 -7.990 -11.465 1.00 0.00 N ATOM 0 H ARG A 26 -2.313 -7.137 -6.035 1.00 0.00 H new ATOM 0 HA ARG A 26 0.535 -6.571 -6.788 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.300 -5.808 -9.029 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.518 -7.529 -8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.830 -5.633 -8.242 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.454 -6.109 -9.886 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.526 -8.574 -9.058 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.192 -7.962 -7.557 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.108 -6.957 -8.922 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.318 -9.916 -9.001 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.485 -10.253 -10.727 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.250 -7.051 -11.625 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.862 -8.583 -12.257 1.00 0.00 H new ATOM 363 N GLY A 27 -0.881 -4.779 -5.185 1.00 0.00 N ATOM 364 CA GLY A 27 -1.154 -3.460 -4.534 1.00 0.00 C ATOM 365 C GLY A 27 -0.080 -3.162 -3.479 1.00 0.00 C ATOM 366 O GLY A 27 0.973 -3.770 -3.489 1.00 0.00 O ATOM 0 H GLY A 27 -0.749 -5.546 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.166 -2.670 -5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.139 -3.472 -4.068 1.00 0.00 H new ATOM 370 N GLY A 28 -0.390 -2.236 -2.603 1.00 0.00 N ATOM 371 CA GLY A 28 0.554 -1.823 -1.505 1.00 0.00 C ATOM 372 C GLY A 28 0.544 -0.304 -1.391 1.00 0.00 C ATOM 373 O GLY A 28 1.543 0.367 -1.592 1.00 0.00 O ATOM 0 H GLY A 28 -1.278 -1.735 -2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.253 -2.274 -0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.562 -2.178 -1.721 1.00 0.00 H new ATOM 377 N TYR A 29 -0.632 0.145 -1.042 1.00 0.00 N ATOM 378 CA TYR A 29 -0.933 1.593 -0.867 1.00 0.00 C ATOM 379 C TYR A 29 -1.584 1.789 0.506 1.00 0.00 C ATOM 380 O TYR A 29 -1.722 0.848 1.262 1.00 0.00 O ATOM 381 CB TYR A 29 -1.898 2.033 -2.000 1.00 0.00 C ATOM 382 CG TYR A 29 -3.353 1.570 -1.725 1.00 0.00 C ATOM 383 CD1 TYR A 29 -3.692 0.232 -1.591 1.00 0.00 C ATOM 384 CD2 TYR A 29 -4.351 2.518 -1.598 1.00 0.00 C ATOM 385 CE1 TYR A 29 -4.994 -0.144 -1.332 1.00 0.00 C ATOM 386 CE2 TYR A 29 -5.653 2.140 -1.339 1.00 0.00 C ATOM 387 CZ TYR A 29 -5.985 0.808 -1.204 1.00 0.00 C ATOM 388 OH TYR A 29 -7.287 0.434 -0.941 1.00 0.00 O ATOM 0 H TYR A 29 -1.431 -0.464 -0.864 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.026 2.195 -0.919 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.874 3.118 -2.098 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.558 1.619 -2.949 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.928 -0.525 -1.691 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.109 3.565 -1.703 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.239 -1.191 -1.229 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.419 2.895 -1.241 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.851 1.233 -0.882 1.00 0.00 H new ATOM 398 N CYS A 30 -1.969 3.010 0.777 1.00 0.00 N ATOM 399 CA CYS A 30 -2.621 3.332 2.080 1.00 0.00 C ATOM 400 C CYS A 30 -4.018 3.926 1.876 1.00 0.00 C ATOM 401 O CYS A 30 -4.361 4.399 0.810 1.00 0.00 O ATOM 402 CB CYS A 30 -1.679 4.296 2.822 1.00 0.00 C ATOM 403 SG CYS A 30 -1.000 5.668 1.861 1.00 0.00 S ATOM 0 H CYS A 30 -1.858 3.803 0.145 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.776 2.430 2.672 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.219 4.711 3.673 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.847 3.717 3.223 1.00 0.00 H new ATOM 408 N ASN A 31 -4.776 3.867 2.939 1.00 0.00 N ATOM 409 CA ASN A 31 -6.179 4.393 2.943 1.00 0.00 C ATOM 410 C ASN A 31 -6.422 5.410 4.068 1.00 0.00 C ATOM 411 O ASN A 31 -5.704 5.410 5.047 1.00 0.00 O ATOM 412 CB ASN A 31 -7.166 3.205 3.105 1.00 0.00 C ATOM 413 CG ASN A 31 -7.052 2.487 4.464 1.00 0.00 C ATOM 414 OD1 ASN A 31 -7.878 1.659 4.789 1.00 0.00 O ATOM 415 ND2 ASN A 31 -6.076 2.742 5.291 1.00 0.00 N ATOM 0 H ASN A 31 -4.476 3.467 3.828 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.341 4.908 1.996 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.185 3.571 2.982 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.988 2.484 2.307 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.022 2.251 6.183 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.367 3.433 5.045 1.00 0.00 H new ATOM 422 N GLY A 32 -7.438 6.218 3.861 1.00 0.00 N ATOM 423 CA GLY A 32 -7.886 7.302 4.804 1.00 0.00 C ATOM 424 C GLY A 32 -7.178 7.361 6.160 1.00 0.00 C ATOM 425 O GLY A 32 -6.349 8.220 6.379 1.00 0.00 O ATOM 0 H GLY A 32 -8.012 6.165 3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.753 8.263 4.307 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.954 7.180 4.982 1.00 0.00 H new ATOM 429 N LYS A 33 -7.553 6.440 7.014 1.00 0.00 N ATOM 430 CA LYS A 33 -6.982 6.315 8.399 1.00 0.00 C ATOM 431 C LYS A 33 -5.509 6.743 8.539 1.00 0.00 C ATOM 432 O LYS A 33 -5.126 7.389 9.493 1.00 0.00 O ATOM 433 CB LYS A 33 -7.101 4.847 8.883 1.00 0.00 C ATOM 434 CG LYS A 33 -8.590 4.403 8.991 1.00 0.00 C ATOM 435 CD LYS A 33 -9.035 3.517 7.791 1.00 0.00 C ATOM 436 CE LYS A 33 -8.254 2.179 7.763 1.00 0.00 C ATOM 437 NZ LYS A 33 -8.408 1.441 9.051 1.00 0.00 N ATOM 0 H LYS A 33 -8.262 5.739 6.800 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.569 7.003 9.008 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.573 4.190 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.617 4.742 9.854 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.735 3.851 9.920 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.227 5.286 9.042 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.104 3.316 7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.872 4.056 6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.614 1.561 6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.198 2.374 7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.116 0.451 8.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.813 1.885 9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.403 1.471 9.352 1.00 0.00 H new ATOM 451 N GLY A 34 -4.743 6.348 7.557 1.00 0.00 N ATOM 452 CA GLY A 34 -3.284 6.639 7.490 1.00 0.00 C ATOM 453 C GLY A 34 -2.599 5.297 7.759 1.00 0.00 C ATOM 454 O GLY A 34 -1.578 5.235 8.413 1.00 0.00 O ATOM 0 H GLY A 34 -5.089 5.810 6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.005 7.036 6.514 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.996 7.385 8.231 1.00 0.00 H new ATOM 458 N VAL A 35 -3.206 4.259 7.232 1.00 0.00 N ATOM 459 CA VAL A 35 -2.682 2.863 7.400 1.00 0.00 C ATOM 460 C VAL A 35 -2.602 2.215 6.011 1.00 0.00 C ATOM 461 O VAL A 35 -3.188 2.728 5.077 1.00 0.00 O ATOM 462 CB VAL A 35 -3.663 2.081 8.329 1.00 0.00 C ATOM 463 CG1 VAL A 35 -3.087 0.693 8.714 1.00 0.00 C ATOM 464 CG2 VAL A 35 -3.945 2.890 9.616 1.00 0.00 C ATOM 0 H VAL A 35 -4.062 4.322 6.680 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.690 2.855 7.852 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.592 1.934 7.777 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.793 0.173 9.361 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.921 0.105 7.811 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.142 0.825 9.240 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.631 2.332 10.254 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.010 3.061 10.150 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.393 3.848 9.353 1.00 0.00 H new ATOM 474 N CYS A 36 -1.906 1.108 5.919 1.00 0.00 N ATOM 475 CA CYS A 36 -1.757 0.393 4.610 1.00 0.00 C ATOM 476 C CYS A 36 -2.786 -0.721 4.397 1.00 0.00 C ATOM 477 O CYS A 36 -3.282 -1.325 5.329 1.00 0.00 O ATOM 478 CB CYS A 36 -0.347 -0.224 4.516 1.00 0.00 C ATOM 479 SG CYS A 36 0.968 0.758 3.755 1.00 0.00 S ATOM 0 H CYS A 36 -1.429 0.664 6.703 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.922 1.142 3.835 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.028 -0.481 5.526 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.429 -1.158 3.960 1.00 0.00 H new ATOM 484 N VAL A 37 -3.052 -0.928 3.132 1.00 0.00 N ATOM 485 CA VAL A 37 -4.016 -1.956 2.643 1.00 0.00 C ATOM 486 C VAL A 37 -3.427 -2.551 1.344 1.00 0.00 C ATOM 487 O VAL A 37 -2.532 -1.975 0.753 1.00 0.00 O ATOM 488 CB VAL A 37 -5.385 -1.255 2.375 1.00 0.00 C ATOM 489 CG1 VAL A 37 -6.449 -2.250 1.856 1.00 0.00 C ATOM 490 CG2 VAL A 37 -5.917 -0.593 3.666 1.00 0.00 C ATOM 0 H VAL A 37 -2.614 -0.395 2.381 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.175 -2.754 3.368 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.208 -0.499 1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.387 -1.722 1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.105 -2.696 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.606 -3.034 2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.872 -0.109 3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.054 -1.353 4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.201 0.151 4.015 1.00 0.00 H new ATOM 500 N CYS A 38 -3.948 -3.678 0.930 1.00 0.00 N ATOM 501 CA CYS A 38 -3.456 -4.341 -0.322 1.00 0.00 C ATOM 502 C CYS A 38 -4.580 -4.223 -1.362 1.00 0.00 C ATOM 503 O CYS A 38 -5.740 -4.152 -0.998 1.00 0.00 O ATOM 504 CB CYS A 38 -3.148 -5.814 -0.026 1.00 0.00 C ATOM 505 SG CYS A 38 -1.838 -6.161 1.171 1.00 0.00 S ATOM 0 H CYS A 38 -4.700 -4.174 1.408 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.545 -3.873 -0.694 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.064 -6.286 0.330 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.884 -6.299 -0.966 1.00 0.00 H new ATOM 510 N ARG A 39 -4.220 -4.202 -2.621 1.00 0.00 N ATOM 511 CA ARG A 39 -5.265 -4.083 -3.690 1.00 0.00 C ATOM 512 C ARG A 39 -4.935 -4.904 -4.950 1.00 0.00 C ATOM 513 O ARG A 39 -3.790 -5.217 -5.214 1.00 0.00 O ATOM 514 CB ARG A 39 -5.404 -2.564 -4.039 1.00 0.00 C ATOM 515 CG ARG A 39 -6.859 -2.066 -3.887 1.00 0.00 C ATOM 516 CD ARG A 39 -7.772 -2.865 -4.830 1.00 0.00 C ATOM 517 NE ARG A 39 -9.125 -2.235 -4.868 1.00 0.00 N ATOM 518 CZ ARG A 39 -9.607 -1.769 -5.990 1.00 0.00 C ATOM 519 NH1 ARG A 39 -9.385 -2.388 -7.115 1.00 0.00 N ATOM 520 NH2 ARG A 39 -10.313 -0.680 -5.947 1.00 0.00 N ATOM 0 H ARG A 39 -3.258 -4.261 -2.955 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.203 -4.492 -3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.752 -1.981 -3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.068 -2.395 -5.062 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.190 -2.185 -2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.918 -1.003 -4.120 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.344 -2.891 -5.832 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.850 -3.897 -4.489 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.677 -2.168 -4.013 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.831 -3.244 -7.125 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.766 -2.016 -7.985 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.477 -0.214 -5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.703 -0.291 -6.805 1.00 0.00 H new ATOM 534 N ASN A 40 -5.971 -5.224 -5.686 1.00 0.00 N ATOM 535 CA ASN A 40 -5.852 -6.015 -6.951 1.00 0.00 C ATOM 536 C ASN A 40 -6.728 -5.379 -8.049 1.00 0.00 C ATOM 537 O ASN A 40 -7.542 -4.556 -7.670 1.00 0.00 O ATOM 538 CB ASN A 40 -6.317 -7.453 -6.687 1.00 0.00 C ATOM 539 CG ASN A 40 -5.509 -8.011 -5.514 1.00 0.00 C ATOM 540 OD1 ASN A 40 -4.296 -7.963 -5.518 1.00 0.00 O ATOM 541 ND2 ASN A 40 -6.123 -8.543 -4.494 1.00 0.00 N ATOM 542 OXT ASN A 40 -6.553 -5.745 -9.198 1.00 0.00 O ATOM 0 H ASN A 40 -6.928 -4.960 -5.453 1.00 0.00 H new ATOM 0 HA ASN A 40 -4.814 -6.019 -7.284 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.382 -7.471 -6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.172 -8.068 -7.575 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.584 -8.913 -3.711 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.142 -8.589 -4.479 1.00 0.00 H new